diff --git a/easy_campaign/cli-tutorial.md b/rbfe_tutorial/cli_tutorial.md similarity index 59% rename from easy_campaign/cli-tutorial.md rename to rbfe_tutorial/cli_tutorial.md index 3110b44..480e855 100644 --- a/easy_campaign/cli-tutorial.md +++ b/rbfe_tutorial/cli_tutorial.md @@ -12,18 +12,14 @@ stages; each of which corresponds to a CLI command: 2. Running the simulations. 3. Gathering the results of separate simulations into a single table. -To work through this tutorial, let's start out with a fresh directory -containing files from the tutorial in our [examples -repository](https://github.com/OpenFreeEnergy/ExampleNotebooks). If -`$EXAMPLES_REPO` is a path to a local copy of that repository, then after -switching to an empty directory, you can get the files with: +To work through this tutorial, start out with a fresh directory. You can download the tutorial materials (including this file) using the command: ```bash -cp $EXAMPLES_REPO/easyCampaign/molecules/rhfe/* ./ +openfe fetch rhfe-tutorial ``` -Then when you run `ls`, you should see that your directory has one file in it: -`benzenes_RHFE.sdf`. That will be the starting point for the tutorial. +Then when you run `ls`, you should see that your directory has this file, +`cli-tutorial.md`, a notebook called `rhfe-python-tutorial.ipynb`, and `benzenes_RHFE.sdf`. ## Setting up the campaign @@ -42,7 +38,7 @@ directory using `-M ./`. We'll tell it to output into the same directory that we're working in with the `-o ./` option. ```bash -openfe plan-rhfe-network -M ./ -o ./ +openfe plan-rhfe-network -M benzenes_RHFE.sdf -o setup ``` Planning the campaign may a take a few minutes, as it tries to find the best @@ -55,17 +51,14 @@ Now you're ready to run the simulations! Let's look at the structure of the ```text -transformations -├── lig_10_lig_15 -│   ├── solvent -│   │   └── openfe-tutorial_easy_rhfe_lig_10_solvent_lig_15_solvent.json -│   └── vacuum -│   └── openfe-tutorial_easy_rhfe_lig_10_vacuum_lig_15_vacuum.json -├── lig_10_lig_5 -│   ├── solvent -│   │   └── openfe-tutorial_easy_rhfe_lig_5_solvent_lig_10_solvent.json -│   └── vacuum -│   └── openfe-tutorial_easy_rhfe_lig_5_vacuum_lig_10_vacuum.json +setup +├── ligand_network.graphml +├── setup.json +└── transformations + ├── easy_rhfe_lig_10_solvent_lig_15_solvent.json + ├── easy_rhfe_lig_10_vacuum_lig_15_vacuum.json + ├── easy_rhfe_lig_11_solvent_lig_14_solvent.json + ├── easy_rhfe_lig_11_vacuum_lig_14_vacuum.json [continues] ``` @@ -91,13 +84,14 @@ using the CLI. To see additional CLI options, use `openfe plan-rhfe-network ## Running the simulations -In principle, you can run each simulation on your local machine with something -like: +For this tutorial, we have precalculated data that you can load, since +running the simulations can take a long time. However, you could, in principle, +run each simulation on your local machine with something like: -``` -# this will take a long time! -for file in transformations/*/*/*.json; do - relpath=${file:16} # strip off "transformations/" +```bash +# this will take a very long time! don't actually do it! +for file in setup/transformations/*.json; do + relpath=${file:22} # strip off "setup/transformations/" dirpath=${relpath%.*} # strip off final ".json" openfe quickrun $file -o results/$relpath -d results/$dirpath done @@ -111,11 +105,11 @@ Details of what information is needed in that job script will depend on your computing center. Here is an example of a very simple script that will create and submit a job script for the simplest SLURM use case: -``` -for file in transformations/*/*/*.json; do - relpath=${file:16} # strip off "transformations/" +```bash +for file in setup/transformations/*.json; do + relpath=${file:22} # strip off "setup/transformations/" dirpath=${relpath%.*} # strip off final ".json" - jobpath="transformations/${dirpath}.job" + jobpath="setup/transformations/${dirpath}.job" cmd="openfe quickrun $file -o results/$relpath -d results/$dirpath" echo -e "#!/usr/bin/env bash\n${cmd}" > $jobpath sbatch $jobpath @@ -124,12 +118,37 @@ done ## Gathering the results -Once the simulations have been run, you will see many results in the results -directory. For each simulation, there will be a result JSON file, as well as a -directory that includes files created during the simulation, with the names as -given to the `openfe quickrun` command. +To get example data, use the following commands: + +```bash +openfe fetch rhfe-tutorial-results +tar xzf results.tar.gz +``` + +This will create a directory called `results/` that contains files in the file +structure you would get from running the calculations as above. The result JSON +files are the actual results of a simulation. Other files that are generated +during the simulation (such as detailed simulation information) have been +replaced by empty files to keep the size smaller. The structure looks something +like this: - + + +```text +results +├── easy_rhfe_lig_10_solvent_lig_15_solvent +│   ├── shared_RelativeHybridTopologyProtocolUnit-333f0749f2554d6794c0dfb495c32bc3 +│   │   ├── checkpoint.nc +│   │   └── simulation.nc +│   ├── shared_RelativeHybridTopologyProtocolUnit-3a17c1c3a438403a88766e2ad4986d62 +│   │   ├── checkpoint.nc +│   │   └── simulation.nc +│   └── shared_RelativeHybridTopologyProtocolUnit-9aa9c8b808b64f6089ef22c9c83bc89d +│   ├── checkpoint.nc +│   └── simulation.nc +├── easy_rhfe_lig_10_solvent_lig_15_solvent.json +[continues] +``` The JSON results file contains not only the calculated $\Delta G$, and uncertainty estimate, but also important metadata about what happened during @@ -140,7 +159,7 @@ fail, and will be recorded so you can later analyze what went wrong. To gather all the $\Delta G$ estimates into a single file, use the `openfe gather` command from withing the working directory used above: -``` +```bash openfe gather ./results/ -o final_results.tsv ``` @@ -151,4 +170,24 @@ $\Delta G$ of the transformation of ligand A into ligand B in vacuum, or `DDGsolv(ligandB,ligandA)` for the $\Delta\Delta G$ of binding ligand A vs. ligand B: $\Delta G$solv, $B$$ - \Delta G$solv$A$. - +The resulting file looks something like this: + + + +```text +measurement estimate (kcal/mol) uncertainty +DDGhyd(lig_8, lig_6) 4.1 +-0.074 +DDGhyd(lig_6, lig_1) -3.5 +-0.038 +DDGhyd(lig_15, lig_14) 3.3 +-0.056 +DDGhyd(lig_14, lig_13) 0.49 +-0.038 +[snip] +DGvacuum(lig_6, lig_8) -10.0 +-0.027 +DGsolvent(lig_6, lig_8) -6.1 +-0.069 +DGsolvent(lig_1, lig_6) 17.0 +-0.032 +DGvacuum(lig_1, lig_6) 20.0 +-0.022 +DGvacuum(lig_14, lig_15) 6.9 +-0.0028 +DGsolvent(lig_14, lig_15) 10.0 +-0.056 +DGsolvent(lig_13, lig_14) 15.0 +-0.037 +[continues] +``` diff --git 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14 15 2 0 0 0 + 15 16 1 0 0 0 + 15 37 1 0 0 0 + 16 17 2 0 0 0 + 16 36 1 0 0 0 + 17 18 1 0 0 0 + 18 19 2 0 0 0 + 18 21 1 0 0 0 + 19 20 1 0 0 0 + 21 22 1 0 0 0 + 21 23 1 0 0 0 + 23 24 2 0 0 0 + 23 25 1 0 0 0 + 25 27 1 0 0 0 + 25 26 1 0 0 0 + 25 35 1 0 0 0 + 26 27 1 0 0 0 + 26 30 1 0 0 0 + 26 31 1 0 0 0 + 27 28 1 0 0 0 + 27 29 1 0 0 0 + 31 32 1 0 0 0 + 31 33 1 0 0 0 + 31 34 1 0 0 0 +M END +$$$$ diff --git a/rbfe_tutorial/tyk2_protein.pdb b/rbfe_tutorial/tyk2_protein.pdb new file mode 100644 index 0000000..8b0ba04 --- /dev/null +++ b/rbfe_tutorial/tyk2_protein.pdb @@ -0,0 +1,5265 @@ +HEADER TRANSFERASE/TRANSFERASE INHIBITOR 08-AUG-12 4GIH +TITLE TYK2 (JH1) IN COMPLEX WITH +TITLE 2 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL) +TITLE 3 AMINO]PYRIDIN-4-YL}BENZAMIDE +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 2.00 ANGSTROMS +REMARK 3 R VALUE : 0.188000 +REMARK 3 FREE R VALUE : 0.217000 +REMARK 4 4GIH COMPLIES WITH FORMAT V. 3.30, +REMARK 200 TEMPERATURE (KELVIN) : 173.00 +REMARK 200 PH : 6.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +SEQRES 1 A 290 ACE THR VAL PHE HIS LYS ARG TYR LEU LYS LYS ILE ARG +SEQRES 2 A 290 ASP LEU GLY GLU GLY HIS PHE GLY LYS VAL SER LEU TYR +SEQRES 3 A 290 CYS TYR ASP PRO THR ASN ASP GLY THR GLY GLU MET VAL +SEQRES 4 A 290 ALA VAL LYS ALA LEU LYS ALA ASP ALA GLY PRO GLN HIS +SEQRES 5 A 290 ARG SER GLY TRP LYS GLN GLU ILE ASP ILE LEU ARG THR +SEQRES 6 A 290 LEU TYR HIS GLU HIS ILE ILE LYS TYR LYS GLY CYS CYS +SEQRES 7 A 290 GLU ASP ALA GLY ALA ALA SER LEU GLN LEU VAL MET GLU +SEQRES 8 A 290 TYR VAL PRO LEU GLY SER LEU ARG ASP TYR LEU PRO ARG +SEQRES 9 A 290 HIS SER ILE GLY LEU ALA GLN LEU LEU LEU PHE ALA GLN +SEQRES 10 A 290 GLN ILE CYS GLU GLY MET ALA TYR LEU HIS ALA GLN HIS +SEQRES 11 A 290 TYR ILE HIS ARG ASN LEU ALA ALA ARG ASN VAL LEU LEU +SEQRES 12 A 290 ASP ASN ASP ARG LEU VAL LYS ILE GLY ASP PHE GLY LEU +SEQRES 13 A 290 ALA LYS ALA VAL PRO GLU GLY HIS GLU TYR TYR ARG VAL +SEQRES 14 A 290 ARG GLU ASP GLY ASP SER PRO VAL PHE TRP TYR ALA PRO +SEQRES 15 A 290 GLU CYS LEU LYS GLU TYR LYS PHE TYR TYR ALA SER ASP +SEQRES 16 A 290 VAL TRP SER PHE GLY VAL THR LEU TYR GLU LEU LEU THR +SEQRES 17 A 290 HIS CYS ASP SER SER GLN SER PRO PRO THR LYS PHE LEU +SEQRES 18 A 290 GLU LEU ILE GLY ILE ALA GLN GLY GLN MET THR VAL LEU +SEQRES 19 A 290 ARG LEU THR GLU LEU LEU GLU ARG GLY GLU ARG LEU PRO +SEQRES 20 A 290 ARG PRO ASP LYS CYS PRO ALA GLU VAL TYR HIS LEU MET +SEQRES 21 A 290 LYS ASN CYS TRP GLU THR GLU ALA SER PHE ARG PRO THR +SEQRES 22 A 290 PHE GLU ASN LEU ILE PRO ILE LEU LYS THR VAL HIS GLU +SEQRES 23 A 290 LYS TYR ARG NME +FORMUL 2 HOH *46(H2 0) +HELIX 1 1 HIS A 940 HIS A 940 1 +HELIX 2 2 ARG A 941 ARG A 941 1 +HELIX 3 3 SER A 942 SER A 942 1 +HELIX 4 4 GLY A 943 GLY A 943 1 +HELIX 5 5 TRP A 944 TRP A 944 1 +HELIX 6 6 LYS A 945 LYS A 945 1 +HELIX 7 7 GLN A 946 GLN A 946 1 +HELIX 8 8 GLU A 947 GLU A 947 1 +HELIX 9 9 ILE A 948 ILE A 948 1 +HELIX 10 10 ASP A 949 ASP A 949 1 +HELIX 11 11 ILE A 950 ILE A 950 1 +HELIX 12 12 LEU A 951 LEU A 951 1 +HELIX 13 13 ARG A 952 ARG A 952 1 +HELIX 14 14 THR A 953 THR A 953 1 +HELIX 15 15 LEU A 986 LEU A 986 1 +HELIX 16 16 ARG A 987 ARG A 987 1 +HELIX 17 17 ASP A 988 ASP A 988 1 +HELIX 18 18 TYR A 989 TYR A 989 1 +HELIX 19 19 LEU A 997 LEU A 997 1 +HELIX 20 20 ALA A 998 ALA A 998 1 +HELIX 21 21 GLN A 999 GLN A 999 1 +HELIX 22 22 LEU A 1000 LEU A 1000 1 +HELIX 23 23 LEU A 1001 LEU A 1001 1 +HELIX 24 24 LEU A 1002 LEU A 1002 1 +HELIX 25 25 PHE A 1003 PHE A 1003 1 +HELIX 26 26 ALA A 1004 ALA A 1004 1 +HELIX 27 27 GLN A 1005 GLN A 1005 1 +HELIX 28 28 GLN A 1006 GLN A 1006 1 +HELIX 29 29 ILE A 1007 ILE A 1007 1 +HELIX 30 30 CYS A 1008 CYS A 1008 1 +HELIX 31 31 GLU A 1009 GLU A 1009 1 +HELIX 32 32 GLY A 1010 GLY A 1010 1 +HELIX 33 33 MET A 1011 MET A 1011 1 +HELIX 34 34 ALA A 1012 ALA A 1012 1 +HELIX 35 35 TYR A 1013 TYR A 1013 1 +HELIX 36 36 LEU A 1014 LEU A 1014 1 +HELIX 37 37 HIS A 1015 HIS A 1015 1 +HELIX 38 38 ALA A 1016 ALA A 1016 1 +HELIX 39 39 TYR A 1080 TYR A 1080 1 +HELIX 40 40 ALA A 1081 ALA A 1081 1 +HELIX 41 41 SER A 1082 SER A 1082 1 +HELIX 42 42 ASP A 1083 ASP A 1083 1 +HELIX 43 43 VAL A 1084 VAL A 1084 1 +HELIX 44 44 TRP A 1085 TRP A 1085 1 +HELIX 45 45 SER A 1086 SER A 1086 1 +HELIX 46 46 PHE A 1087 PHE A 1087 1 +HELIX 47 47 GLY A 1088 GLY A 1088 1 +HELIX 48 48 VAL A 1089 VAL A 1089 1 +HELIX 49 49 THR A 1090 THR A 1090 1 +HELIX 50 50 LEU A 1091 LEU A 1091 1 +HELIX 51 51 TYR A 1092 TYR A 1092 1 +HELIX 52 52 GLU A 1093 GLU A 1093 1 +HELIX 53 53 LEU A 1094 LEU A 1094 1 +HELIX 54 54 LEU A 1095 LEU A 1095 1 +HELIX 55 55 LYS A 1107 LYS A 1107 1 +HELIX 56 56 PHE A 1108 PHE A 1108 1 +HELIX 57 57 LEU A 1109 LEU A 1109 1 +HELIX 58 58 GLU A 1110 GLU A 1110 1 +HELIX 59 59 LEU A 1111 LEU A 1111 1 +HELIX 60 60 ILE A 1112 ILE A 1112 1 +HELIX 61 61 THR A 1120 THR A 1120 1 +HELIX 62 62 VAL A 1121 VAL A 1121 1 +HELIX 63 63 LEU A 1122 LEU A 1122 1 +HELIX 64 64 ARG A 1123 ARG A 1123 1 +HELIX 65 65 LEU A 1124 LEU A 1124 1 +HELIX 66 66 THR A 1125 THR A 1125 1 +HELIX 67 67 GLU A 1126 GLU A 1126 1 +HELIX 68 68 LEU A 1127 LEU A 1127 1 +HELIX 69 69 LEU A 1128 LEU A 1128 1 +HELIX 70 70 GLU A 1129 GLU A 1129 1 +HELIX 71 71 GLU A 1143 GLU A 1143 1 +HELIX 72 72 VAL A 1144 VAL A 1144 1 +HELIX 73 73 TYR A 1145 TYR A 1145 1 +HELIX 74 74 HIS A 1146 HIS A 1146 1 +HELIX 75 75 LEU A 1147 LEU A 1147 1 +HELIX 76 76 MET A 1148 MET A 1148 1 +HELIX 77 77 LYS A 1149 LYS A 1149 1 +HELIX 78 78 ASN A 1150 ASN A 1150 1 +HELIX 79 79 CYS A 1151 CYS A 1151 1 +HELIX 80 80 PHE A 1162 PHE A 1162 1 +HELIX 81 81 GLU A 1163 GLU A 1163 1 +HELIX 82 82 ASN A 1164 ASN A 1164 1 +HELIX 83 83 LEU A 1165 LEU A 1165 1 +HELIX 84 84 ILE A 1166 ILE A 1166 1 +HELIX 85 85 PRO A 1167 PRO A 1167 1 +HELIX 86 86 ILE A 1168 ILE A 1168 1 +HELIX 87 87 LEU A 1169 LEU A 1169 1 +HELIX 88 88 LYS A 1170 LYS A 1170 1 +HELIX 89 89 THR A 1171 THR A 1171 1 +HELIX 90 90 VAL A 1172 VAL A 1172 1 +HELIX 91 91 HIS A 1173 HIS A 1173 1 +HELIX 92 92 GLU A 1174 GLU A 1174 1 +HELIX 93 93 LYS A 1175 LYS A 1175 1 +HELIX 94 94 TYR A 1176 TYR A 1176 1 +TURN 1 1 THR A 890 THR A 890 +TURN 2 2 VAL A 891 VAL A 891 +TURN 3 3 HIS A 893 HIS A 893 +TURN 4 4 LYS A 894 LYS A 894 +TURN 5 5 ARG A 895 ARG A 895 +TURN 6 6 TYR A 896 TYR A 896 +TURN 7 7 GLY A 906 GLY A 906 +TURN 8 8 HIS A 907 HIS A 907 +TURN 9 9 PHE A 908 PHE A 908 +TURN 10 10 GLY A 909 GLY A 909 +TURN 11 11 ASP A 917 ASP A 917 +TURN 12 12 PRO A 918 PRO A 918 +TURN 13 13 THR A 919 THR A 919 +TURN 14 14 ASN A 920 ASN A 920 +TURN 15 15 ASP A 921 ASP A 921 +TURN 16 16 GLY A 922 GLY A 922 +TURN 17 17 THR A 923 THR A 923 +TURN 18 18 GLY A 924 GLY A 924 +TURN 19 19 ALA A 931 ALA A 931 +TURN 20 20 LEU A 932 LEU A 932 +TURN 21 21 LYS A 933 LYS A 933 +TURN 22 22 ALA A 934 ALA A 934 +TURN 23 23 ASP A 935 ASP A 935 +TURN 24 24 ALA A 936 ALA A 936 +TURN 25 25 GLY A 937 GLY A 937 +TURN 26 26 PRO A 938 PRO A 938 +TURN 27 27 GLN A 939 GLN A 939 +TURN 28 28 LEU A 954 LEU A 954 +TURN 29 29 TYR A 955 TYR A 955 +TURN 30 30 HIS A 956 HIS A 956 +TURN 31 31 GLU A 957 GLU A 957 +TURN 32 32 HIS A 958 HIS A 958 +TURN 33 33 ILE A 959 ILE A 959 +TURN 34 34 ILE A 960 ILE A 960 +TURN 35 35 LYS A 961 LYS A 961 +TURN 36 36 ALA A 969 ALA A 969 +TURN 37 37 GLY A 970 GLY A 970 +TURN 38 38 ALA A 971 ALA A 971 +TURN 39 39 ALA A 972 ALA A 972 +TURN 40 40 TYR A 980 TYR A 980 +TURN 41 41 VAL A 981 VAL A 981 +TURN 42 42 PRO A 982 PRO A 982 +TURN 43 43 LEU A 983 LEU A 983 +TURN 44 44 LEU A 990 LEU A 990 +TURN 45 45 PRO A 991 PRO A 991 +TURN 46 46 ARG A 992 ARG A 992 +TURN 47 47 HIS A 993 HIS A 993 +TURN 48 48 SER A 994 SER A 994 +TURN 49 49 ILE A 995 ILE A 995 +TURN 50 50 GLY A 996 GLY A 996 +TURN 51 51 GLN A1017 GLN A1017 +TURN 52 52 HIS A1018 HIS A1018 +TURN 53 53 HIS A1021 HIS A1021 +TURN 54 54 ARG A1022 ARG A1022 +TURN 55 55 ASN A1023 ASN A1023 +TURN 56 56 LEU A1024 LEU A1024 +TURN 57 57 ALA A1025 ALA A1025 +TURN 58 58 ALA A1026 ALA A1026 +TURN 59 59 ARG A1027 ARG A1027 +TURN 60 60 ASN A1028 ASN A1028 +TURN 61 61 ASP A1034 ASP A1034 +TURN 62 62 ARG A1035 ARG A1035 +TURN 63 63 GLY A1040 GLY A1040 +TURN 64 64 ASP A1041 ASP A1041 +TURN 65 65 PHE A1042 PHE A1042 +TURN 66 66 GLY A1043 GLY A1043 +TURN 67 67 LEU A1044 LEU A1044 +TURN 68 68 ALA A1045 ALA A1045 +TURN 69 69 VAL A1048 VAL A1048 +TURN 70 70 PRO A1049 PRO A1049 +TURN 71 71 GLU A1050 GLU A1050 +TURN 72 72 GLY A1051 GLY A1051 +TURN 73 73 HIS A1052 HIS A1052 +TURN 74 74 GLU A1053 GLU A1053 +TURN 75 75 VAL A1057 VAL A1057 +TURN 76 76 ARG A1058 ARG A1058 +TURN 77 77 GLU A1059 GLU A1059 +TURN 78 78 ASP A1060 ASP A1060 +TURN 79 79 GLY A1061 GLY A1061 +TURN 80 80 ASP A1062 ASP A1062 +TURN 81 81 SER A1063 SER A1063 +TURN 82 82 PRO A1064 PRO A1064 +TURN 83 83 VAL A1065 VAL A1065 +TURN 84 84 PHE A1066 PHE A1066 +TURN 85 85 TRP A1067 TRP A1067 +TURN 86 86 TYR A1068 TYR A1068 +TURN 87 87 ALA A1069 ALA A1069 +TURN 88 88 PRO A1070 PRO A1070 +TURN 89 89 GLU A1071 GLU A1071 +TURN 90 90 CYS A1072 CYS A1072 +TURN 91 91 LEU A1073 LEU A1073 +TURN 92 92 LYS A1074 LYS A1074 +TURN 93 93 GLU A1075 GLU A1075 +TURN 94 94 TYR A1076 TYR A1076 +TURN 95 95 THR A1096 THR A1096 +TURN 96 96 HIS A1097 HIS A1097 +TURN 97 97 CYS A1098 CYS A1098 +TURN 98 98 ASP A1099 ASP A1099 +TURN 99 99 SER A1100 SER A1100 +TURN 100 100 SER A1101 SER A1101 +TURN 101 101 GLN A1102 GLN A1102 +TURN 102 102 SER A1103 SER A1103 +TURN 103 103 PRO A1104 PRO A1104 +TURN 104 104 PRO A1105 PRO A1105 +TURN 105 105 THR A1106 THR A1106 +TURN 106 106 GLY A1113 GLY A1113 +TURN 107 107 ILE A1114 ILE A1114 +TURN 108 108 ALA A1115 ALA A1115 +TURN 109 109 GLN A1116 GLN A1116 +TURN 110 110 GLY A1117 GLY A1117 +TURN 111 111 GLN A1118 GLN A1118 +TURN 112 112 MET A1119 MET A1119 +TURN 113 113 ARG A1130 ARG A1130 +TURN 114 114 GLY A1131 GLY A1131 +TURN 115 115 GLU A1132 GLU A1132 +TURN 116 116 ARG A1133 ARG A1133 +TURN 117 117 LEU A1134 LEU A1134 +TURN 118 118 PRO A1135 PRO A1135 +TURN 119 119 ARG A1136 ARG A1136 +TURN 120 120 PRO A1137 PRO A1137 +TURN 121 121 ASP A1138 ASP A1138 +TURN 122 122 LYS A1139 LYS A1139 +TURN 123 123 CYS A1140 CYS A1140 +TURN 124 124 PRO A1141 PRO A1141 +TURN 125 125 ALA A1142 ALA A1142 +TURN 126 126 TRP A1152 TRP A1152 +TURN 127 127 GLU A1153 GLU A1153 +TURN 128 128 THR A1154 THR A1154 +TURN 129 129 GLU A1155 GLU A1155 +TURN 130 130 ALA A1156 ALA A1156 +TURN 131 131 SER A1157 SER A1157 +TURN 132 132 PHE A1158 PHE A1158 +TURN 133 133 ARG A1159 ARG A1159 +TURN 134 134 PRO A1160 PRO A1160 +TURN 135 135 THR A1161 THR A1161 +TURN 136 136 ARG A1177 ARG A1177 +SHEET 1 1 1 PHE A 892 PHE A 892 0 +SHEET 1 2 1 LEU A 897 LEU A 897 0 +SHEET 1 3 1 LYS A 898 LYS A 898 0 +SHEET 1 4 1 LYS A 899 LYS A 899 0 +SHEET 1 5 1 ILE A 900 ILE A 900 0 +SHEET 1 6 1 ARG A 901 ARG A 901 0 +SHEET 1 7 1 ASP A 902 ASP A 902 0 +SHEET 1 8 1 LEU A 903 LEU A 903 0 +SHEET 1 9 1 GLY A 904 GLY A 904 0 +SHEET 1 10 1 GLU A 905 GLU A 905 0 +SHEET 1 11 1 LYS A 910 LYS A 910 0 +SHEET 1 12 1 VAL A 911 VAL A 911 0 +SHEET 1 13 1 SER A 912 SER A 912 0 +SHEET 1 14 1 LEU A 913 LEU A 913 0 +SHEET 1 15 1 TYR A 914 TYR A 914 0 +SHEET 1 16 1 CYS A 915 CYS A 915 0 +SHEET 1 17 1 TYR A 916 TYR A 916 0 +SHEET 1 18 1 GLU A 925 GLU A 925 0 +SHEET 1 19 1 MET A 926 MET A 926 0 +SHEET 1 20 1 VAL A 927 VAL A 927 0 +SHEET 1 21 1 ALA A 928 ALA A 928 0 +SHEET 1 22 1 VAL A 929 VAL A 929 0 +SHEET 1 23 1 LYS A 930 LYS A 930 0 +SHEET 1 24 1 TYR A 962 TYR A 962 0 +SHEET 1 25 1 LYS A 963 LYS A 963 0 +SHEET 1 26 1 GLY A 964 GLY A 964 0 +SHEET 1 27 1 CYS A 965 CYS A 965 0 +SHEET 1 28 1 CYS A 966 CYS A 966 0 +SHEET 1 29 1 GLU A 967 GLU A 967 0 +SHEET 1 30 1 ASP A 968 ASP A 968 0 +SHEET 1 31 1 SER A 973 SER A 973 0 +SHEET 1 32 1 LEU A 974 LEU A 974 0 +SHEET 1 33 1 GLN A 975 GLN A 975 0 +SHEET 1 34 1 LEU A 976 LEU A 976 0 +SHEET 1 35 1 VAL A 977 VAL A 977 0 +SHEET 1 36 1 MET A 978 MET A 978 0 +SHEET 1 37 1 GLU A 979 GLU A 979 0 +SHEET 1 38 1 GLY A 984 GLY A 984 0 +SHEET 1 39 1 SER A 985 SER A 985 0 +SHEET 1 40 1 TYR A1019 TYR A1019 0 +SHEET 1 41 1 ILE A1020 ILE A1020 0 +SHEET 1 42 1 VAL A1029 VAL A1029 0 +SHEET 1 43 1 LEU A1030 LEU A1030 0 +SHEET 1 44 1 LEU A1031 LEU A1031 0 +SHEET 1 45 1 ASP A1032 ASP A1032 0 +SHEET 1 46 1 ASN A1033 ASN A1033 0 +SHEET 1 47 1 LEU A1036 LEU A1036 0 +SHEET 1 48 1 VAL A1037 VAL A1037 0 +SHEET 1 49 1 LYS A1038 LYS A1038 0 +SHEET 1 50 1 ILE A1039 ILE A1039 0 +SHEET 1 51 1 LYS A1046 LYS A1046 0 +SHEET 1 52 1 ALA A1047 ALA A1047 0 +SHEET 1 53 1 TYR A1054 TYR A1054 0 +SHEET 1 54 1 TYR A1055 TYR A1055 0 +SHEET 1 55 1 ARG A1056 ARG A1056 0 +SHEET 1 56 1 LYS A1077 LYS A1077 0 +SHEET 1 57 1 PHE A1078 PHE A1078 0 +SHEET 1 58 1 TYR A1079 TYR A1079 0 +CRYST1 36.165 74.378 105.855 90.00 90.00 90.00 P 21 21 21 4 +HETATM 1 CH3 ACE A 889 -15.732 -12.864 4.220 1.00 0.00 C +HETATM 2 C ACE A 889 -15.275 -14.196 3.637 1.00 0.00 C +HETATM 3 O ACE A 889 -14.652 -14.991 4.340 1.00 0.00 O +HETATM 4 H1 ACE A 889 -16.002 -12.982 5.270 1.00 0.00 H +HETATM 5 H2 ACE A 889 -14.929 -12.130 4.152 1.00 0.00 H +HETATM 6 H3 ACE A 889 -16.601 -12.476 3.688 1.00 0.00 H +ATOM 7 N THR A 890 -15.598 -14.429 2.353 1.00 62.43 N +ATOM 8 CA THR A 890 -15.253 -15.636 1.596 1.00 60.76 C +ATOM 9 C THR A 890 -13.728 -15.808 1.437 1.00 61.63 C +ATOM 10 O THR A 890 -13.057 -14.865 1.010 1.00 59.62 O +ATOM 11 CB THR A 890 -15.878 -15.600 0.175 1.00 68.55 C +ATOM 12 OG1 THR A 890 -17.275 -15.404 0.279 1.00 68.98 O +ATOM 13 CG2 THR A 890 -15.641 -16.864 -0.673 1.00 67.10 C +ATOM 14 H THR A 890 -16.131 -13.741 1.843 1.00 62.43 H +ATOM 15 HA THR A 890 -15.657 -16.495 2.138 1.00 60.76 H +ATOM 16 HB THR A 890 -15.486 -14.740 -0.370 1.00 68.55 H +ATOM 17 HG1 THR A 890 -17.660 -15.485 -0.597 1.00 68.98 H +ATOM 18 HG21 THR A 890 -16.174 -16.811 -1.622 1.00 67.10 H +ATOM 19 HG22 THR A 890 -14.586 -17.003 -0.909 1.00 67.10 H +ATOM 20 HG23 THR A 890 -15.983 -17.757 -0.151 1.00 67.10 H +ATOM 21 N VAL A 891 -13.227 -17.004 1.789 1.00 57.37 N +ATOM 22 CA VAL A 891 -11.803 -17.336 1.789 1.00 55.39 C +ATOM 23 C VAL A 891 -11.483 -18.439 0.760 1.00 56.21 C +ATOM 24 O VAL A 891 -12.250 -19.389 0.602 1.00 57.24 O +ATOM 25 CB VAL A 891 -11.320 -17.758 3.209 1.00 60.85 C +ATOM 26 CG1 VAL A 891 -11.950 -19.060 3.745 1.00 62.96 C +ATOM 27 CG2 VAL A 891 -9.784 -17.834 3.316 1.00 59.88 C +ATOM 28 H VAL A 891 -13.847 -17.732 2.112 1.00 57.37 H +ATOM 29 HA VAL A 891 -11.234 -16.448 1.521 1.00 55.39 H +ATOM 30 HB VAL A 891 -11.634 -16.961 3.885 1.00 60.85 H +ATOM 31 HG11 VAL A 891 -11.669 -19.225 4.785 1.00 62.96 H +ATOM 32 HG12 VAL A 891 -13.039 -19.021 3.707 1.00 62.96 H +ATOM 33 HG13 VAL A 891 -11.625 -19.935 3.183 1.00 62.96 H +ATOM 34 HG21 VAL A 891 -9.472 -17.993 4.349 1.00 59.88 H +ATOM 35 HG22 VAL A 891 -9.371 -18.651 2.725 1.00 59.88 H +ATOM 36 HG23 VAL A 891 -9.317 -16.908 2.976 1.00 59.88 H +ATOM 37 N PHE A 892 -10.332 -18.268 0.093 1.00 49.19 N +ATOM 38 CA PHE A 892 -9.736 -19.179 -0.880 1.00 47.07 C +ATOM 39 C PHE A 892 -8.379 -19.653 -0.337 1.00 52.74 C +ATOM 40 O PHE A 892 -7.608 -18.826 0.150 1.00 53.11 O +ATOM 41 CB PHE A 892 -9.546 -18.424 -2.216 1.00 45.10 C +ATOM 42 CG PHE A 892 -10.806 -18.200 -3.035 1.00 44.18 C +ATOM 43 CD1 PHE A 892 -11.099 -19.048 -4.122 1.00 44.87 C +ATOM 44 CD2 PHE A 892 -11.756 -17.229 -2.654 1.00 45.07 C +ATOM 45 CE1 PHE A 892 -12.289 -18.908 -4.823 1.00 45.27 C +ATOM 46 CE2 PHE A 892 -12.944 -17.110 -3.362 1.00 46.87 C +ATOM 47 CZ PHE A 892 -13.211 -17.944 -4.440 1.00 44.38 C +ATOM 48 H PHE A 892 -9.787 -17.438 0.287 1.00 49.19 H +ATOM 49 HA PHE A 892 -10.371 -20.052 -1.044 1.00 47.07 H +ATOM 50 HB3 PHE A 892 -8.819 -18.942 -2.845 1.00 45.10 H +ATOM 51 HB2 PHE A 892 -9.116 -17.444 -2.011 1.00 45.10 H +ATOM 52 HD1 PHE A 892 -10.391 -19.801 -4.420 1.00 44.87 H +ATOM 53 HD2 PHE A 892 -11.569 -16.581 -1.809 1.00 45.07 H +ATOM 54 HE1 PHE A 892 -12.501 -19.556 -5.660 1.00 45.27 H +ATOM 55 HE2 PHE A 892 -13.672 -16.374 -3.064 1.00 46.87 H +ATOM 56 HZ PHE A 892 -14.142 -17.847 -4.977 1.00 44.38 H +ATOM 57 N HIS A 893 -8.096 -20.961 -0.436 1.00 50.80 N +ATOM 58 CA HIS A 893 -6.829 -21.549 0.015 1.00 51.86 C +ATOM 59 C HIS A 893 -5.854 -21.664 -1.167 1.00 53.50 C +ATOM 60 O HIS A 893 -6.229 -22.208 -2.207 1.00 52.26 O +ATOM 61 CB HIS A 893 -7.080 -22.921 0.672 1.00 55.68 C +ATOM 62 CG HIS A 893 -8.193 -22.954 1.691 1.00 61.81 C +ATOM 63 ND1 HIS A 893 -9.452 -23.496 1.413 1.00 65.50 N +ATOM 64 CD2 HIS A 893 -8.184 -22.495 2.993 1.00 65.19 C +ATOM 65 CE1 HIS A 893 -10.148 -23.333 2.531 1.00 67.02 C +ATOM 66 NE2 HIS A 893 -9.446 -22.747 3.501 1.00 67.16 N +ATOM 67 H HIS A 893 -8.769 -21.596 -0.844 1.00 50.80 H +ATOM 68 HA HIS A 893 -6.383 -20.908 0.779 1.00 51.86 H +ATOM 69 HB3 HIS A 893 -6.171 -23.242 1.179 1.00 55.68 H +ATOM 70 HB2 HIS A 893 -7.292 -23.675 -0.087 1.00 55.68 H +ATOM 71 HD2 HIS A 893 -7.410 -22.016 3.574 1.00 65.19 H +ATOM 72 HE1 HIS A 893 -11.176 -23.645 2.643 1.00 67.02 H +ATOM 73 HE2 HIS A 893 -9.776 -22.523 4.430 1.00 67.16 H +ATOM 74 N LYS A 894 -4.615 -21.166 -0.990 1.00 50.22 N +ATOM 75 CA LYS A 894 -3.603 -21.102 -2.055 1.00 49.02 C +ATOM 76 C LYS A 894 -3.093 -22.481 -2.531 1.00 53.09 C +ATOM 77 O LYS A 894 -2.649 -22.591 -3.672 1.00 51.68 O +ATOM 78 CB LYS A 894 -2.443 -20.167 -1.638 1.00 52.12 C +ATOM 79 CG LYS A 894 -1.600 -19.701 -2.841 1.00 67.25 C +ATOM 80 CD LYS A 894 -0.571 -18.609 -2.518 1.00 79.06 C +ATOM 81 CE LYS A 894 0.105 -18.102 -3.806 1.00 86.18 C +ATOM 82 NZ LYS A 894 1.179 -17.132 -3.537 1.00 95.28 N1+ +ATOM 83 H LYS A 894 -4.367 -20.734 -0.111 1.00 50.22 H +ATOM 84 HA LYS A 894 -4.096 -20.649 -2.916 1.00 49.02 H +ATOM 85 HB3 LYS A 894 -1.815 -20.639 -0.881 1.00 52.12 H +ATOM 86 HB2 LYS A 894 -2.857 -19.278 -1.165 1.00 52.12 H +ATOM 87 HG3 LYS A 894 -2.267 -19.334 -3.621 1.00 67.25 H +ATOM 88 HG2 LYS A 894 -1.071 -20.551 -3.272 1.00 67.25 H +ATOM 89 HD3 LYS A 894 0.177 -19.010 -1.831 1.00 79.06 H +ATOM 90 HD2 LYS A 894 -1.058 -17.783 -1.996 1.00 79.06 H +ATOM 91 HE3 LYS A 894 -0.633 -17.631 -4.457 1.00 86.18 H +ATOM 92 HE2 LYS A 894 0.534 -18.936 -4.361 1.00 86.18 H +ATOM 93 HZ1 LYS A 894 1.906 -17.573 -2.992 1.00 95.28 H +ATOM 94 HZ2 LYS A 894 1.567 -16.796 -4.406 1.00 95.28 H +ATOM 95 HZ3 LYS A 894 0.818 -16.346 -3.009 1.00 95.28 H +ATOM 96 N ARG A 895 -3.219 -23.513 -1.678 1.00 51.74 N +ATOM 97 CA ARG A 895 -2.936 -24.922 -1.981 1.00 52.94 C +ATOM 98 C ARG A 895 -3.820 -25.522 -3.099 1.00 55.31 C +ATOM 99 O ARG A 895 -3.417 -26.518 -3.700 1.00 55.61 O +ATOM 100 CB ARG A 895 -3.055 -25.742 -0.675 1.00 57.62 C +ATOM 101 CG ARG A 895 -4.449 -25.700 -0.018 1.00 70.70 C +ATOM 102 CD ARG A 895 -4.551 -26.532 1.269 1.00 85.20 C +ATOM 103 NE ARG A 895 -5.826 -26.282 1.965 1.00 97.62 N +ATOM 104 CZ ARG A 895 -6.474 -27.088 2.829 1.00116.87 C +ATOM 105 NH1 ARG A 895 -6.007 -28.297 3.178 1.00109.22 N +ATOM 106 NH2 ARG A 895 -7.629 -26.662 3.356 1.00103.80 N1+ +ATOM 107 H ARG A 895 -3.593 -23.332 -0.758 1.00 51.74 H +ATOM 108 HA ARG A 895 -1.902 -24.980 -2.325 1.00 52.94 H +ATOM 109 HB3 ARG A 895 -2.322 -25.366 0.041 1.00 57.62 H +ATOM 110 HB2 ARG A 895 -2.772 -26.779 -0.866 1.00 57.62 H +ATOM 111 HG3 ARG A 895 -5.142 -26.145 -0.732 1.00 70.70 H +ATOM 112 HG2 ARG A 895 -4.799 -24.681 0.135 1.00 70.70 H +ATOM 113 HD3 ARG A 895 -3.681 -26.417 1.916 1.00 85.20 H +ATOM 114 HD2 ARG A 895 -4.581 -27.578 0.965 1.00 85.20 H +ATOM 115 HE ARG A 895 -6.255 -25.393 1.754 1.00 97.62 H +ATOM 116 HH12 ARG A 895 -6.515 -28.879 3.827 1.00109.22 H +ATOM 117 HH11 ARG A 895 -5.149 -28.646 2.769 1.00109.22 H +ATOM 118 HH22 ARG A 895 -8.146 -27.249 3.995 1.00103.80 H +ATOM 119 HH21 ARG A 895 -8.011 -25.764 3.096 1.00103.80 H +ATOM 120 N TYR A 896 -4.993 -24.917 -3.353 1.00 49.98 N +ATOM 121 CA TYR A 896 -5.948 -25.341 -4.378 1.00 49.28 C +ATOM 122 C TYR A 896 -5.900 -24.464 -5.642 1.00 50.16 C +ATOM 123 O TYR A 896 -6.491 -24.862 -6.644 1.00 48.17 O +ATOM 124 CB TYR A 896 -7.364 -25.348 -3.770 1.00 51.36 C +ATOM 125 CG TYR A 896 -7.587 -26.246 -2.560 1.00 55.87 C +ATOM 126 CD1 TYR A 896 -6.988 -27.524 -2.475 1.00 59.63 C +ATOM 127 CD2 TYR A 896 -8.449 -25.818 -1.529 1.00 57.59 C +ATOM 128 CE1 TYR A 896 -7.261 -28.365 -1.380 1.00 63.33 C +ATOM 129 CE2 TYR A 896 -8.717 -26.657 -0.430 1.00 61.39 C +ATOM 130 CZ TYR A 896 -8.130 -27.935 -0.360 1.00 71.07 C +ATOM 131 OH TYR A 896 -8.409 -28.757 0.692 1.00 74.22 O +ATOM 132 H TYR A 896 -5.258 -24.104 -2.814 1.00 49.98 H +ATOM 133 HA TYR A 896 -5.716 -26.351 -4.712 1.00 49.28 H +ATOM 134 HB3 TYR A 896 -8.095 -25.639 -4.525 1.00 51.36 H +ATOM 135 HB2 TYR A 896 -7.618 -24.330 -3.482 1.00 51.36 H +ATOM 136 HD1 TYR A 896 -6.338 -27.885 -3.257 1.00 59.63 H +ATOM 137 HD2 TYR A 896 -8.922 -24.848 -1.582 1.00 57.59 H +ATOM 138 HE1 TYR A 896 -6.810 -29.346 -1.334 1.00 63.33 H +ATOM 139 HE2 TYR A 896 -9.385 -26.322 0.350 1.00 61.39 H +ATOM 140 HH TYR A 896 -7.997 -29.621 0.612 1.00 74.22 H +ATOM 141 N LEU A 897 -5.197 -23.318 -5.597 1.00 46.72 N +ATOM 142 CA LEU A 897 -5.001 -22.416 -6.732 1.00 44.74 C +ATOM 143 C LEU A 897 -3.851 -22.919 -7.625 1.00 48.16 C +ATOM 144 O LEU A 897 -2.685 -22.753 -7.264 1.00 48.59 O +ATOM 145 CB LEU A 897 -4.714 -20.987 -6.202 1.00 44.20 C +ATOM 146 CG LEU A 897 -5.924 -20.222 -5.622 1.00 48.88 C +ATOM 147 CD1 LEU A 897 -5.488 -18.979 -4.825 1.00 51.85 C +ATOM 148 CD2 LEU A 897 -6.961 -19.837 -6.697 1.00 47.58 C +ATOM 149 H LEU A 897 -4.710 -23.068 -4.748 1.00 46.72 H +ATOM 150 HA LEU A 897 -5.907 -22.403 -7.338 1.00 44.74 H +ATOM 151 HB3 LEU A 897 -4.297 -20.372 -6.995 1.00 44.20 H +ATOM 152 HB2 LEU A 897 -3.930 -21.049 -5.447 1.00 44.20 H +ATOM 153 HG LEU A 897 -6.405 -20.889 -4.908 1.00 48.88 H +ATOM 154 HD11 LEU A 897 -5.824 -19.067 -3.792 1.00 51.85 H +ATOM 155 HD12 LEU A 897 -4.406 -18.850 -4.810 1.00 51.85 H +ATOM 156 HD13 LEU A 897 -5.915 -18.056 -5.220 1.00 51.85 H +ATOM 157 HD21 LEU A 897 -7.934 -19.654 -6.242 1.00 47.58 H +ATOM 158 HD22 LEU A 897 -6.673 -18.927 -7.224 1.00 47.58 H +ATOM 159 HD23 LEU A 897 -7.099 -20.607 -7.454 1.00 47.58 H +ATOM 160 N LYS A 898 -4.206 -23.500 -8.784 1.00 44.15 N +ATOM 161 CA LYS A 898 -3.275 -23.916 -9.836 1.00 44.11 C +ATOM 162 C LYS A 898 -3.159 -22.787 -10.871 1.00 46.50 C +ATOM 163 O LYS A 898 -4.147 -22.500 -11.546 1.00 45.72 O +ATOM 164 CB LYS A 898 -3.788 -25.205 -10.521 1.00 48.28 C +ATOM 165 CG LYS A 898 -3.559 -26.517 -9.749 1.00 70.59 C +ATOM 166 CD LYS A 898 -4.421 -26.693 -8.490 1.00 82.83 C +ATOM 167 CE LYS A 898 -4.393 -28.144 -7.981 1.00 97.68 C +ATOM 168 NZ LYS A 898 -5.185 -28.320 -6.753 1.00107.26 N1+ +ATOM 169 H LYS A 898 -5.188 -23.612 -9.002 1.00 44.15 H +ATOM 170 HA LYS A 898 -2.289 -24.117 -9.411 1.00 44.11 H +ATOM 171 HB3 LYS A 898 -3.252 -25.321 -11.464 1.00 48.28 H +ATOM 172 HB2 LYS A 898 -4.839 -25.106 -10.797 1.00 48.28 H +ATOM 173 HG3 LYS A 898 -2.505 -26.604 -9.484 1.00 70.59 H +ATOM 174 HG2 LYS A 898 -3.761 -27.344 -10.431 1.00 70.59 H +ATOM 175 HD3 LYS A 898 -5.444 -26.381 -8.702 1.00 82.83 H +ATOM 176 HD2 LYS A 898 -4.049 -26.031 -7.707 1.00 82.83 H +ATOM 177 HE3 LYS A 898 -3.368 -28.453 -7.777 1.00 97.68 H +ATOM 178 HE2 LYS A 898 -4.788 -28.816 -8.743 1.00 97.68 H +ATOM 179 HZ1 LYS A 898 -4.817 -27.724 -6.025 1.00107.26 H +ATOM 180 HZ2 LYS A 898 -6.153 -28.082 -6.930 1.00107.26 H +ATOM 181 HZ3 LYS A 898 -5.133 -29.284 -6.455 1.00107.26 H +ATOM 182 N LYS A 899 -1.972 -22.166 -10.979 1.00 42.86 N +ATOM 183 CA LYS A 899 -1.712 -21.052 -11.897 1.00 42.35 C +ATOM 184 C LYS A 899 -1.708 -21.508 -13.365 1.00 45.75 C +ATOM 185 O LYS A 899 -1.008 -22.465 -13.695 1.00 46.24 O +ATOM 186 CB LYS A 899 -0.382 -20.375 -11.512 1.00 45.46 C +ATOM 187 CG LYS A 899 -0.117 -19.063 -12.271 1.00 54.73 C +ATOM 188 CD LYS A 899 1.114 -18.319 -11.740 1.00 64.90 C +ATOM 189 CE LYS A 899 1.426 -17.068 -12.571 1.00 74.92 C +ATOM 190 NZ LYS A 899 2.594 -16.337 -12.051 1.00 84.51 N1+ +ATOM 191 H LYS A 899 -1.198 -22.461 -10.402 1.00 42.86 H +ATOM 192 HA LYS A 899 -2.511 -20.319 -11.766 1.00 42.35 H +ATOM 193 HB3 LYS A 899 0.450 -21.065 -11.661 1.00 45.46 H +ATOM 194 HB2 LYS A 899 -0.393 -20.156 -10.446 1.00 45.46 H +ATOM 195 HG3 LYS A 899 -0.991 -18.414 -12.196 1.00 54.73 H +ATOM 196 HG2 LYS A 899 0.021 -19.269 -13.333 1.00 54.73 H +ATOM 197 HD3 LYS A 899 1.973 -18.993 -11.741 1.00 64.90 H +ATOM 198 HD2 LYS A 899 0.939 -18.039 -10.700 1.00 64.90 H +ATOM 199 HE3 LYS A 899 0.570 -16.395 -12.579 1.00 74.92 H +ATOM 200 HE2 LYS A 899 1.622 -17.344 -13.608 1.00 74.92 H +ATOM 201 HZ1 LYS A 899 2.755 -15.539 -12.651 1.00 84.51 H +ATOM 202 HZ2 LYS A 899 2.411 -16.027 -11.108 1.00 84.51 H +ATOM 203 HZ3 LYS A 899 3.406 -16.938 -12.065 1.00 84.51 H +ATOM 204 N ILE A 900 -2.473 -20.796 -14.207 1.00 41.32 N +ATOM 205 CA ILE A 900 -2.604 -21.076 -15.636 1.00 41.22 C +ATOM 206 C ILE A 900 -1.686 -20.142 -16.451 1.00 44.92 C +ATOM 207 O ILE A 900 -0.918 -20.640 -17.272 1.00 45.41 O +ATOM 208 CB ILE A 900 -4.078 -20.931 -16.133 1.00 44.36 C +ATOM 209 CG1 ILE A 900 -5.025 -21.868 -15.338 1.00 45.50 C +ATOM 210 CG2 ILE A 900 -4.224 -21.186 -17.654 1.00 46.17 C +ATOM 211 CD1 ILE A 900 -6.527 -21.664 -15.604 1.00 56.14 C +ATOM 212 H ILE A 900 -3.010 -20.012 -13.856 1.00 41.32 H +ATOM 213 HA ILE A 900 -2.293 -22.103 -15.839 1.00 41.22 H +ATOM 214 HB ILE A 900 -4.399 -19.906 -15.939 1.00 44.36 H +ATOM 215 HG13 ILE A 900 -4.869 -21.739 -14.267 1.00 45.50 H +ATOM 216 HG12 ILE A 900 -4.762 -22.906 -15.546 1.00 45.50 H +ATOM 217 HG21 ILE A 900 -5.257 -21.102 -17.988 1.00 46.17 H +ATOM 218 HG22 ILE A 900 -3.655 -20.476 -18.252 1.00 46.17 H +ATOM 219 HG23 ILE A 900 -3.880 -22.187 -17.914 1.00 46.17 H +ATOM 220 HD11 ILE A 900 -6.981 -22.574 -15.996 1.00 56.14 H +ATOM 221 HD12 ILE A 900 -7.057 -21.403 -14.689 1.00 56.14 H +ATOM 222 HD13 ILE A 900 -6.724 -20.869 -16.318 1.00 56.14 H +ATOM 223 N ARG A 901 -1.769 -18.822 -16.202 1.00 40.97 N +ATOM 224 CA ARG A 901 -0.997 -17.785 -16.899 1.00 41.13 C +ATOM 225 C ARG A 901 -1.153 -16.426 -16.197 1.00 44.46 C +ATOM 226 O ARG A 901 -2.028 -16.266 -15.349 1.00 43.07 O +ATOM 227 CB ARG A 901 -1.415 -17.689 -18.393 1.00 41.29 C +ATOM 228 CG ARG A 901 -2.893 -17.330 -18.655 1.00 52.38 C +ATOM 229 CD ARG A 901 -3.184 -17.151 -20.154 1.00 59.92 C +ATOM 230 NE ARG A 901 -4.626 -17.047 -20.439 1.00 68.07 N +ATOM 231 CZ ARG A 901 -5.470 -18.056 -20.731 1.00 83.41 C +ATOM 232 NH1 ARG A 901 -5.064 -19.333 -20.802 1.00 64.57 N +ATOM 233 NH2 ARG A 901 -6.760 -17.779 -20.958 1.00 77.22 N1+ +ATOM 234 H ARG A 901 -2.406 -18.484 -15.493 1.00 40.97 H +ATOM 235 HA ARG A 901 0.058 -18.059 -16.843 1.00 41.13 H +ATOM 236 HB3 ARG A 901 -1.194 -18.631 -18.895 1.00 41.29 H +ATOM 237 HB2 ARG A 901 -0.782 -16.954 -18.894 1.00 41.29 H +ATOM 238 HG3 ARG A 901 -3.069 -16.365 -18.179 1.00 52.38 H +ATOM 239 HG2 ARG A 901 -3.588 -18.026 -18.182 1.00 52.38 H +ATOM 240 HD3 ARG A 901 -2.658 -17.871 -20.782 1.00 59.92 H +ATOM 241 HD2 ARG A 901 -2.800 -16.172 -20.446 1.00 59.92 H +ATOM 242 HE ARG A 901 -5.007 -16.113 -20.381 1.00 68.07 H +ATOM 243 HH12 ARG A 901 -5.714 -20.071 -21.028 1.00 64.57 H +ATOM 244 HH11 ARG A 901 -4.093 -19.560 -20.642 1.00 64.57 H +ATOM 245 HH22 ARG A 901 -7.411 -18.517 -21.182 1.00 77.22 H +ATOM 246 HH21 ARG A 901 -7.103 -16.830 -20.897 1.00 77.22 H +ATOM 247 N ASP A 902 -0.327 -15.455 -16.617 1.00 41.92 N +ATOM 248 CA ASP A 902 -0.466 -14.033 -16.281 1.00 41.86 C +ATOM 249 C ASP A 902 -1.534 -13.379 -17.179 1.00 43.46 C +ATOM 250 O ASP A 902 -1.649 -13.756 -18.347 1.00 42.68 O +ATOM 251 CB ASP A 902 0.870 -13.255 -16.417 1.00 46.10 C +ATOM 252 CG ASP A 902 2.075 -13.816 -15.638 1.00 63.12 C +ATOM 253 OD1 ASP A 902 1.868 -14.510 -14.618 1.00 62.46 O +ATOM 254 OD2 ASP A 902 3.207 -13.412 -15.980 1.00 75.36 O1- +ATOM 255 H ASP A 902 0.372 -15.668 -17.314 1.00 41.92 H +ATOM 256 HA ASP A 902 -0.795 -13.952 -15.245 1.00 41.86 H +ATOM 257 HB3 ASP A 902 0.722 -12.227 -16.081 1.00 46.10 H +ATOM 258 HB2 ASP A 902 1.153 -13.205 -17.470 1.00 46.10 H +ATOM 259 N LEU A 903 -2.271 -12.398 -16.628 1.00 39.42 N +ATOM 260 CA LEU A 903 -3.273 -11.609 -17.359 1.00 38.97 C +ATOM 261 C LEU A 903 -2.810 -10.164 -17.625 1.00 45.51 C +ATOM 262 O LEU A 903 -3.374 -9.534 -18.520 1.00 47.25 O +ATOM 263 CB LEU A 903 -4.619 -11.607 -16.593 1.00 37.74 C +ATOM 264 CG LEU A 903 -5.296 -12.990 -16.448 1.00 40.14 C +ATOM 265 CD1 LEU A 903 -6.586 -12.886 -15.603 1.00 39.42 C +ATOM 266 CD2 LEU A 903 -5.545 -13.682 -17.807 1.00 39.39 C +ATOM 267 H LEU A 903 -2.124 -12.142 -15.660 1.00 39.42 H +ATOM 268 HA LEU A 903 -3.440 -12.040 -18.346 1.00 38.97 H +ATOM 269 HB3 LEU A 903 -5.320 -10.938 -17.097 1.00 37.74 H +ATOM 270 HB2 LEU A 903 -4.461 -11.178 -15.603 1.00 37.74 H +ATOM 271 HG LEU A 903 -4.609 -13.626 -15.891 1.00 40.14 H +ATOM 272 HD11 LEU A 903 -7.473 -13.231 -16.134 1.00 39.42 H +ATOM 273 HD12 LEU A 903 -6.505 -13.482 -14.694 1.00 39.42 H +ATOM 274 HD13 LEU A 903 -6.792 -11.860 -15.296 1.00 39.42 H +ATOM 275 HD21 LEU A 903 -6.525 -14.154 -17.871 1.00 39.39 H +ATOM 276 HD22 LEU A 903 -5.480 -12.984 -18.642 1.00 39.39 H +ATOM 277 HD23 LEU A 903 -4.806 -14.466 -17.979 1.00 39.39 H +ATOM 278 N GLY A 904 -1.802 -9.669 -16.884 1.00 41.87 N +ATOM 279 CA GLY A 904 -1.253 -8.324 -17.054 1.00 43.49 C +ATOM 280 C GLY A 904 -1.005 -7.670 -15.690 1.00 48.38 C +ATOM 281 O GLY A 904 -1.010 -8.335 -14.653 1.00 47.59 O +ATOM 282 H GLY A 904 -1.396 -10.235 -16.152 1.00 41.87 H +ATOM 283 HA3 GLY A 904 -1.915 -7.681 -17.638 1.00 43.49 H +ATOM 284 HA2 GLY A 904 -0.308 -8.393 -17.594 1.00 43.49 H +ATOM 285 N GLU A 905 -0.757 -6.351 -15.724 1.00 46.73 N +ATOM 286 CA GLU A 905 -0.417 -5.520 -14.569 1.00 47.46 C +ATOM 287 C GLU A 905 -1.527 -4.496 -14.305 1.00 51.67 C +ATOM 288 O GLU A 905 -1.856 -3.713 -15.197 1.00 51.35 O +ATOM 289 CB GLU A 905 0.926 -4.797 -14.834 1.00 51.27 C +ATOM 290 CG GLU A 905 2.146 -5.732 -15.018 1.00 66.56 C +ATOM 291 CD GLU A 905 2.576 -6.520 -13.769 1.00 94.70 C +ATOM 292 OE1 GLU A 905 2.395 -6.005 -12.643 1.00 96.75 O +ATOM 293 OE2 GLU A 905 3.103 -7.639 -13.964 1.00 86.75 O1- +ATOM 294 H GLU A 905 -0.773 -5.869 -16.611 1.00 46.73 H +ATOM 295 HA GLU A 905 -0.307 -6.133 -13.677 1.00 47.46 H +ATOM 296 HB3 GLU A 905 1.125 -4.080 -14.036 1.00 51.27 H +ATOM 297 HB2 GLU A 905 0.832 -4.191 -15.737 1.00 51.27 H +ATOM 298 HG3 GLU A 905 3.002 -5.131 -15.326 1.00 66.56 H +ATOM 299 HG2 GLU A 905 1.960 -6.422 -15.843 1.00 66.56 H +ATOM 300 N GLY A 906 -2.038 -4.492 -13.063 1.00 48.81 N +ATOM 301 CA GLY A 906 -2.898 -3.437 -12.529 1.00 50.44 C +ATOM 302 C GLY A 906 -2.033 -2.425 -11.758 1.00 59.13 C +ATOM 303 O GLY A 906 -0.802 -2.468 -11.826 1.00 59.62 O +ATOM 304 H GLY A 906 -1.693 -5.164 -12.391 1.00 48.81 H +ATOM 305 HA3 GLY A 906 -3.632 -3.885 -11.863 1.00 50.44 H +ATOM 306 HA2 GLY A 906 -3.453 -2.925 -13.317 1.00 50.44 H +ATOM 307 N HIS A 907 -2.685 -1.495 -11.037 1.00 58.87 N +ATOM 308 CA HIS A 907 -2.024 -0.392 -10.326 1.00 61.58 C +ATOM 309 C HIS A 907 -1.031 -0.830 -9.225 1.00 65.75 C +ATOM 310 O HIS A 907 0.140 -0.461 -9.313 1.00 67.01 O +ATOM 311 CB HIS A 907 -3.071 0.615 -9.806 1.00 64.07 C +ATOM 312 CG HIS A 907 -2.464 1.855 -9.191 1.00 71.10 C +ATOM 313 ND1 HIS A 907 -2.421 2.072 -7.824 1.00 74.01 N +ATOM 314 CD2 HIS A 907 -1.844 2.946 -9.759 1.00 75.68 C +ATOM 315 CE1 HIS A 907 -1.781 3.227 -7.629 1.00 76.67 C +ATOM 316 NE2 HIS A 907 -1.401 3.813 -8.758 1.00 78.22 N +ATOM 317 H HIS A 907 -3.695 -1.465 -11.060 1.00 58.87 H +ATOM 318 HA HIS A 907 -1.436 0.136 -11.080 1.00 61.58 H +ATOM 319 HB3 HIS A 907 -3.722 0.137 -9.074 1.00 64.07 H +ATOM 320 HB2 HIS A 907 -3.717 0.935 -10.625 1.00 64.07 H +ATOM 321 HD1 HIS A 907 -2.801 1.473 -7.103 1.00 74.01 H +ATOM 322 HD2 HIS A 907 -1.664 3.165 -10.801 1.00 75.68 H +ATOM 323 HE1 HIS A 907 -1.598 3.647 -6.651 1.00 76.67 H +ATOM 324 N PHE A 908 -1.500 -1.593 -8.220 1.00 61.05 N +ATOM 325 CA PHE A 908 -0.670 -2.041 -7.090 1.00 61.65 C +ATOM 326 C PHE A 908 0.158 -3.312 -7.352 1.00 63.63 C +ATOM 327 O PHE A 908 1.051 -3.603 -6.555 1.00 65.29 O +ATOM 328 CB PHE A 908 -1.529 -2.186 -5.816 1.00 63.30 C +ATOM 329 CG PHE A 908 -2.026 -0.870 -5.245 1.00 67.27 C +ATOM 330 CD1 PHE A 908 -1.113 0.118 -4.816 1.00 73.63 C +ATOM 331 CD2 PHE A 908 -3.407 -0.616 -5.143 1.00 68.80 C +ATOM 332 CE1 PHE A 908 -1.582 1.333 -4.333 1.00 76.93 C +ATOM 333 CE2 PHE A 908 -3.854 0.595 -4.639 1.00 73.69 C +ATOM 334 CZ PHE A 908 -2.947 1.573 -4.254 1.00 75.01 C +ATOM 335 H PHE A 908 -2.475 -1.851 -8.194 1.00 61.05 H +ATOM 336 HA PHE A 908 0.075 -1.268 -6.889 1.00 61.65 H +ATOM 337 HB3 PHE A 908 -0.967 -2.687 -5.026 1.00 63.30 H +ATOM 338 HB2 PHE A 908 -2.382 -2.833 -6.027 1.00 63.30 H +ATOM 339 HD1 PHE A 908 -0.050 -0.062 -4.872 1.00 73.63 H +ATOM 340 HD2 PHE A 908 -4.123 -1.361 -5.449 1.00 68.80 H +ATOM 341 HE1 PHE A 908 -0.886 2.096 -4.018 1.00 76.93 H +ATOM 342 HE2 PHE A 908 -4.914 0.778 -4.550 1.00 73.69 H +ATOM 343 HZ PHE A 908 -3.306 2.520 -3.880 1.00 75.01 H +ATOM 344 N GLY A 909 -0.118 -4.030 -8.451 1.00 56.05 N +ATOM 345 CA GLY A 909 0.641 -5.220 -8.813 1.00 53.59 C +ATOM 346 C GLY A 909 -0.135 -6.069 -9.822 1.00 52.99 C +ATOM 347 O GLY A 909 -1.181 -5.674 -10.342 1.00 51.95 O +ATOM 348 H GLY A 909 -0.847 -3.737 -9.086 1.00 56.05 H +ATOM 349 HA3 GLY A 909 0.870 -5.821 -7.931 1.00 53.59 H +ATOM 350 HA2 GLY A 909 1.590 -4.917 -9.258 1.00 53.59 H +ATOM 351 N LYS A 910 0.446 -7.242 -10.114 1.00 47.39 N +ATOM 352 CA LYS A 910 0.039 -8.174 -11.161 1.00 44.86 C +ATOM 353 C LYS A 910 -1.302 -8.879 -10.907 1.00 43.37 C +ATOM 354 O LYS A 910 -1.655 -9.140 -9.759 1.00 42.02 O +ATOM 355 CB LYS A 910 1.174 -9.198 -11.371 1.00 48.19 C +ATOM 356 CG LYS A 910 1.463 -10.135 -10.177 1.00 70.18 C +ATOM 357 CD LYS A 910 2.696 -11.044 -10.355 1.00 80.07 C +ATOM 358 CE LYS A 910 2.500 -12.254 -11.290 1.00 90.27 C +ATOM 359 NZ LYS A 910 2.509 -11.895 -12.720 1.00 99.37 N1+ +ATOM 360 H LYS A 910 1.299 -7.487 -9.634 1.00 47.39 H +ATOM 361 HA LYS A 910 -0.058 -7.598 -12.079 1.00 44.86 H +ATOM 362 HB3 LYS A 910 2.088 -8.663 -11.624 1.00 48.19 H +ATOM 363 HB2 LYS A 910 0.918 -9.787 -12.250 1.00 48.19 H +ATOM 364 HG3 LYS A 910 0.595 -10.759 -9.970 1.00 70.18 H +ATOM 365 HG2 LYS A 910 1.611 -9.535 -9.280 1.00 70.18 H +ATOM 366 HD3 LYS A 910 2.986 -11.415 -9.371 1.00 80.07 H +ATOM 367 HD2 LYS A 910 3.543 -10.445 -10.692 1.00 80.07 H +ATOM 368 HE3 LYS A 910 1.575 -12.777 -11.046 1.00 90.27 H +ATOM 369 HE2 LYS A 910 3.311 -12.965 -11.133 1.00 90.27 H +ATOM 370 HZ1 LYS A 910 1.759 -11.248 -12.914 1.00 99.37 H +ATOM 371 HZ2 LYS A 910 3.388 -11.459 -12.961 1.00 99.37 H +ATOM 372 HZ3 LYS A 910 2.383 -12.725 -13.287 1.00 99.37 H +ATOM 373 N VAL A 911 -1.971 -9.225 -12.016 1.00 37.15 N +ATOM 374 CA VAL A 911 -3.138 -10.101 -12.065 1.00 34.94 C +ATOM 375 C VAL A 911 -2.732 -11.374 -12.827 1.00 36.97 C +ATOM 376 O VAL A 911 -2.030 -11.287 -13.838 1.00 35.74 O +ATOM 377 CB VAL A 911 -4.323 -9.449 -12.832 1.00 38.64 C +ATOM 378 CG1 VAL A 911 -5.604 -10.312 -12.836 1.00 37.50 C +ATOM 379 CG2 VAL A 911 -4.665 -8.046 -12.301 1.00 39.45 C +ATOM 380 H VAL A 911 -1.594 -8.964 -12.919 1.00 37.15 H +ATOM 381 HA VAL A 911 -3.461 -10.380 -11.067 1.00 34.94 H +ATOM 382 HB VAL A 911 -4.013 -9.331 -13.869 1.00 38.64 H +ATOM 383 HG11 VAL A 911 -6.413 -9.808 -13.365 1.00 37.50 H +ATOM 384 HG12 VAL A 911 -5.459 -11.273 -13.327 1.00 37.50 H +ATOM 385 HG13 VAL A 911 -5.949 -10.509 -11.820 1.00 37.50 H +ATOM 386 HG21 VAL A 911 -5.489 -7.603 -12.859 1.00 39.45 H +ATOM 387 HG22 VAL A 911 -4.967 -8.091 -11.259 1.00 39.45 H +ATOM 388 HG23 VAL A 911 -3.822 -7.359 -12.381 1.00 39.45 H +ATOM 389 N SER A 912 -3.188 -12.530 -12.325 1.00 32.82 N +ATOM 390 CA SER A 912 -2.920 -13.839 -12.909 1.00 32.44 C +ATOM 391 C SER A 912 -4.187 -14.693 -12.861 1.00 36.01 C +ATOM 392 O SER A 912 -4.950 -14.617 -11.899 1.00 34.87 O +ATOM 393 CB SER A 912 -1.780 -14.527 -12.136 1.00 36.04 C +ATOM 394 OG SER A 912 -0.549 -13.884 -12.379 1.00 45.71 O +ATOM 395 H SER A 912 -3.765 -12.527 -11.494 1.00 32.82 H +ATOM 396 HA SER A 912 -2.642 -13.737 -13.958 1.00 32.44 H +ATOM 397 HB3 SER A 912 -1.683 -15.572 -12.436 1.00 36.04 H +ATOM 398 HB2 SER A 912 -1.975 -14.516 -11.066 1.00 36.04 H +ATOM 399 HG SER A 912 -0.594 -13.012 -11.977 1.00 45.71 H +ATOM 400 N LEU A 913 -4.360 -15.518 -13.900 1.00 32.94 N +ATOM 401 CA LEU A 913 -5.421 -16.505 -14.016 1.00 32.73 C +ATOM 402 C LEU A 913 -5.002 -17.794 -13.295 1.00 36.98 C +ATOM 403 O LEU A 913 -3.924 -18.324 -13.568 1.00 35.71 O +ATOM 404 CB LEU A 913 -5.708 -16.725 -15.517 1.00 33.31 C +ATOM 405 CG LEU A 913 -6.770 -17.793 -15.857 1.00 38.67 C +ATOM 406 CD1 LEU A 913 -8.125 -17.524 -15.168 1.00 39.26 C +ATOM 407 CD2 LEU A 913 -6.897 -17.945 -17.387 1.00 40.96 C +ATOM 408 H LEU A 913 -3.653 -15.554 -14.623 1.00 32.94 H +ATOM 409 HA LEU A 913 -6.319 -16.103 -13.545 1.00 32.73 H +ATOM 410 HB3 LEU A 913 -4.776 -16.989 -16.019 1.00 33.31 H +ATOM 411 HB2 LEU A 913 -6.024 -15.778 -15.951 1.00 33.31 H +ATOM 412 HG LEU A 913 -6.411 -18.748 -15.479 1.00 38.67 H +ATOM 413 HD11 LEU A 913 -8.969 -17.675 -15.835 1.00 39.26 H +ATOM 414 HD12 LEU A 913 -8.270 -18.198 -14.324 1.00 39.26 H +ATOM 415 HD13 LEU A 913 -8.203 -16.505 -14.788 1.00 39.26 H +ATOM 416 HD21 LEU A 913 -6.656 -18.960 -17.702 1.00 40.96 H +ATOM 417 HD22 LEU A 913 -7.896 -17.721 -17.755 1.00 40.96 H +ATOM 418 HD23 LEU A 913 -6.216 -17.279 -17.917 1.00 40.96 H +ATOM 419 N TYR A 914 -5.887 -18.270 -12.410 1.00 34.34 N +ATOM 420 CA TYR A 914 -5.761 -19.522 -11.672 1.00 35.26 C +ATOM 421 C TYR A 914 -7.035 -20.352 -11.864 1.00 40.97 C +ATOM 422 O TYR A 914 -8.122 -19.790 -11.984 1.00 41.41 O +ATOM 423 CB TYR A 914 -5.585 -19.230 -10.167 1.00 36.25 C +ATOM 424 CG TYR A 914 -4.258 -18.632 -9.738 1.00 37.55 C +ATOM 425 CD1 TYR A 914 -3.251 -19.461 -9.207 1.00 41.10 C +ATOM 426 CD2 TYR A 914 -4.046 -17.242 -9.800 1.00 37.73 C +ATOM 427 CE1 TYR A 914 -2.054 -18.909 -8.717 1.00 42.72 C +ATOM 428 CE2 TYR A 914 -2.845 -16.686 -9.315 1.00 39.24 C +ATOM 429 CZ TYR A 914 -1.847 -17.519 -8.776 1.00 49.59 C +ATOM 430 OH TYR A 914 -0.685 -16.979 -8.308 1.00 54.45 O +ATOM 431 H TYR A 914 -6.749 -17.762 -12.251 1.00 34.34 H +ATOM 432 HA TYR A 914 -4.909 -20.094 -12.040 1.00 35.26 H +ATOM 433 HB3 TYR A 914 -5.705 -20.158 -9.605 1.00 36.25 H +ATOM 434 HB2 TYR A 914 -6.386 -18.578 -9.817 1.00 36.25 H +ATOM 435 HD1 TYR A 914 -3.405 -20.526 -9.149 1.00 41.10 H +ATOM 436 HD2 TYR A 914 -4.816 -16.599 -10.198 1.00 37.73 H +ATOM 437 HE1 TYR A 914 -1.299 -19.558 -8.297 1.00 42.72 H +ATOM 438 HE2 TYR A 914 -2.701 -15.617 -9.335 1.00 39.24 H +ATOM 439 HH TYR A 914 -0.088 -17.635 -7.941 1.00 54.45 H +ATOM 440 N CYS A 915 -6.871 -21.680 -11.807 1.00 39.05 N +ATOM 441 CA CYS A 915 -7.950 -22.649 -11.663 1.00 40.20 C +ATOM 442 C CYS A 915 -7.988 -23.052 -10.181 1.00 43.77 C +ATOM 443 O CYS A 915 -7.093 -23.769 -9.728 1.00 43.29 O +ATOM 444 CB CYS A 915 -7.745 -23.856 -12.604 1.00 41.99 C +ATOM 445 SG CYS A 915 -9.062 -25.098 -12.432 1.00 48.59 S +ATOM 446 H CYS A 915 -5.935 -22.054 -11.712 1.00 39.05 H +ATOM 447 HA CYS A 915 -8.905 -22.191 -11.927 1.00 40.20 H +ATOM 448 HB3 CYS A 915 -6.786 -24.339 -12.412 1.00 41.99 H +ATOM 449 HB2 CYS A 915 -7.727 -23.525 -13.642 1.00 41.99 H +ATOM 450 HG CYS A 915 -10.049 -24.342 -12.923 1.00 48.59 H +ATOM 451 N TYR A 916 -9.007 -22.565 -9.452 1.00 39.62 N +ATOM 452 CA TYR A 916 -9.266 -22.950 -8.066 1.00 39.96 C +ATOM 453 C TYR A 916 -9.955 -24.317 -8.054 1.00 45.20 C +ATOM 454 O TYR A 916 -11.103 -24.411 -8.485 1.00 45.42 O +ATOM 455 CB TYR A 916 -10.123 -21.883 -7.362 1.00 40.18 C +ATOM 456 CG TYR A 916 -10.338 -22.159 -5.882 1.00 41.11 C +ATOM 457 CD1 TYR A 916 -9.235 -22.141 -5.005 1.00 41.72 C +ATOM 458 CD2 TYR A 916 -11.625 -22.431 -5.372 1.00 43.06 C +ATOM 459 CE1 TYR A 916 -9.421 -22.339 -3.626 1.00 42.69 C +ATOM 460 CE2 TYR A 916 -11.807 -22.654 -3.991 1.00 44.62 C +ATOM 461 CZ TYR A 916 -10.704 -22.596 -3.116 1.00 47.56 C +ATOM 462 OH TYR A 916 -10.866 -22.784 -1.774 1.00 49.11 O +ATOM 463 H TYR A 916 -9.717 -21.999 -9.899 1.00 39.62 H +ATOM 464 HA TYR A 916 -8.313 -23.020 -7.541 1.00 39.96 H +ATOM 465 HB3 TYR A 916 -11.089 -21.777 -7.861 1.00 40.18 H +ATOM 466 HB2 TYR A 916 -9.641 -20.909 -7.450 1.00 40.18 H +ATOM 467 HD1 TYR A 916 -8.244 -21.965 -5.390 1.00 41.72 H +ATOM 468 HD2 TYR A 916 -12.478 -22.459 -6.035 1.00 43.06 H +ATOM 469 HE1 TYR A 916 -8.578 -22.297 -2.958 1.00 42.69 H +ATOM 470 HE2 TYR A 916 -12.797 -22.853 -3.609 1.00 44.62 H +ATOM 471 HH TYR A 916 -11.780 -22.931 -1.519 1.00 49.11 H +ATOM 472 N ASP A 917 -9.224 -25.343 -7.600 1.00 46.60 N +ATOM 473 CA ASP A 917 -9.548 -26.742 -7.857 1.00 48.33 C +ATOM 474 C ASP A 917 -9.310 -27.589 -6.586 1.00 54.57 C +ATOM 475 O ASP A 917 -8.280 -28.261 -6.507 1.00 54.85 O +ATOM 476 CB ASP A 917 -8.720 -27.202 -9.088 1.00 50.11 C +ATOM 477 CG ASP A 917 -8.948 -28.619 -9.626 1.00 62.07 C +ATOM 478 OD1 ASP A 917 -10.074 -29.144 -9.481 1.00 63.23 O +ATOM 479 OD2 ASP A 917 -8.018 -29.099 -10.308 1.00 69.60 O1- +ATOM 480 H ASP A 917 -8.291 -25.168 -7.248 1.00 46.60 H +ATOM 481 HA ASP A 917 -10.604 -26.840 -8.110 1.00 48.33 H +ATOM 482 HB3 ASP A 917 -7.660 -27.061 -8.876 1.00 50.11 H +ATOM 483 HB2 ASP A 917 -8.925 -26.518 -9.911 1.00 50.11 H +ATOM 484 N PRO A 918 -10.233 -27.531 -5.592 1.00 52.47 N +ATOM 485 CA PRO A 918 -10.097 -28.298 -4.337 1.00 54.47 C +ATOM 486 C PRO A 918 -10.108 -29.832 -4.468 1.00 61.35 C +ATOM 487 O PRO A 918 -9.390 -30.493 -3.718 1.00 62.40 O +ATOM 488 CB PRO A 918 -11.249 -27.795 -3.449 1.00 56.45 C +ATOM 489 CG PRO A 918 -11.619 -26.442 -4.028 1.00 58.90 C +ATOM 490 CD PRO A 918 -11.398 -26.646 -5.519 1.00 53.43 C +ATOM 491 HA PRO A 918 -9.154 -28.002 -3.890 1.00 54.47 H +ATOM 492 HB3 PRO A 918 -10.970 -27.730 -2.397 1.00 56.45 H +ATOM 493 HB2 PRO A 918 -12.112 -28.460 -3.518 1.00 56.45 H +ATOM 494 HG3 PRO A 918 -10.924 -25.686 -3.658 1.00 58.90 H +ATOM 495 HG2 PRO A 918 -12.631 -26.122 -3.778 1.00 58.90 H +ATOM 496 HD2 PRO A 918 -12.253 -27.150 -5.969 1.00 53.43 H +ATOM 497 HD3 PRO A 918 -11.278 -25.684 -6.008 1.00 53.43 H +ATOM 498 N THR A 919 -10.909 -30.361 -5.407 1.00 59.02 N +ATOM 499 CA THR A 919 -11.072 -31.799 -5.649 1.00 61.06 C +ATOM 500 C THR A 919 -9.985 -32.394 -6.578 1.00 66.39 C +ATOM 501 O THR A 919 -9.864 -33.618 -6.624 1.00 67.71 O +ATOM 502 CB THR A 919 -12.460 -32.093 -6.275 1.00 69.24 C +ATOM 503 OG1 THR A 919 -12.585 -31.469 -7.533 1.00 68.64 O +ATOM 504 CG2 THR A 919 -13.638 -31.637 -5.400 1.00 68.24 C +ATOM 505 H THR A 919 -11.466 -29.756 -5.994 1.00 59.02 H +ATOM 506 HA THR A 919 -11.011 -32.326 -4.695 1.00 61.06 H +ATOM 507 HB THR A 919 -12.561 -33.168 -6.437 1.00 69.24 H +ATOM 508 HG1 THR A 919 -13.251 -31.932 -8.052 1.00 68.64 H +ATOM 509 HG21 THR A 919 -14.591 -31.908 -5.855 1.00 68.24 H +ATOM 510 HG22 THR A 919 -13.598 -32.106 -4.417 1.00 68.24 H +ATOM 511 HG23 THR A 919 -13.640 -30.556 -5.253 1.00 68.24 H +ATOM 512 N ASN A 920 -9.199 -31.539 -7.261 1.00 62.42 N +ATOM 513 CA ASN A 920 -8.037 -31.885 -8.094 1.00 62.48 C +ATOM 514 C ASN A 920 -8.379 -32.616 -9.418 1.00 68.30 C +ATOM 515 O ASN A 920 -7.483 -33.225 -10.005 1.00 68.75 O +ATOM 516 CB ASN A 920 -6.961 -32.649 -7.260 1.00 64.50 C +ATOM 517 CG ASN A 920 -5.483 -32.372 -7.591 1.00 90.28 C +ATOM 518 OD1 ASN A 920 -4.611 -32.755 -6.815 1.00 80.74 O +ATOM 519 ND2 ASN A 920 -5.167 -31.729 -8.718 1.00 86.67 N +ATOM 520 H ASN A 920 -9.390 -30.550 -7.183 1.00 62.42 H +ATOM 521 HA ASN A 920 -7.608 -30.945 -8.433 1.00 62.48 H +ATOM 522 HB3 ASN A 920 -7.149 -33.724 -7.262 1.00 64.50 H +ATOM 523 HB2 ASN A 920 -7.058 -32.342 -6.217 1.00 64.50 H +ATOM 524 HD22 ASN A 920 -4.198 -31.571 -8.954 1.00 86.67 H +ATOM 525 HD21 ASN A 920 -5.888 -31.454 -9.372 1.00 86.67 H +ATOM 526 N ASP A 921 -9.638 -32.539 -9.885 1.00 65.11 N +ATOM 527 CA ASP A 921 -10.110 -33.196 -11.116 1.00 65.45 C +ATOM 528 C ASP A 921 -9.985 -32.313 -12.380 1.00 68.10 C +ATOM 529 O ASP A 921 -10.142 -32.837 -13.482 1.00 68.54 O +ATOM 530 CB ASP A 921 -11.542 -33.785 -10.972 1.00 68.72 C +ATOM 531 CG ASP A 921 -12.662 -32.858 -10.464 1.00 75.04 C +ATOM 532 OD1 ASP A 921 -12.517 -31.619 -10.549 1.00 72.94 O +ATOM 533 OD2 ASP A 921 -13.716 -33.411 -10.080 1.00 81.22 O1- +ATOM 534 H ASP A 921 -10.326 -31.995 -9.382 1.00 65.11 H +ATOM 535 HA ASP A 921 -9.464 -34.056 -11.306 1.00 65.45 H +ATOM 536 HB3 ASP A 921 -11.484 -34.629 -10.282 1.00 68.72 H +ATOM 537 HB2 ASP A 921 -11.865 -34.214 -11.922 1.00 68.72 H +ATOM 538 N GLY A 922 -9.711 -31.008 -12.210 1.00 62.38 N +ATOM 539 CA GLY A 922 -9.551 -30.041 -13.297 1.00 60.09 C +ATOM 540 C GLY A 922 -10.863 -29.330 -13.668 1.00 63.42 C +ATOM 541 O GLY A 922 -10.834 -28.480 -14.557 1.00 62.74 O +ATOM 542 H GLY A 922 -9.599 -30.648 -11.270 1.00 62.38 H +ATOM 543 HA3 GLY A 922 -9.136 -30.518 -14.186 1.00 60.09 H +ATOM 544 HA2 GLY A 922 -8.828 -29.287 -12.986 1.00 60.09 H +ATOM 545 N THR A 923 -11.995 -29.645 -13.011 1.00 59.47 N +ATOM 546 CA THR A 923 -13.310 -29.037 -13.264 1.00 58.79 C +ATOM 547 C THR A 923 -13.573 -27.766 -12.417 1.00 58.95 C +ATOM 548 O THR A 923 -14.667 -27.206 -12.506 1.00 58.00 O +ATOM 549 CB THR A 923 -14.472 -30.055 -13.053 1.00 71.45 C +ATOM 550 OG1 THR A 923 -14.846 -30.240 -11.699 1.00 74.26 O +ATOM 551 CG2 THR A 923 -14.234 -31.420 -13.720 1.00 71.82 C +ATOM 552 H THR A 923 -11.966 -30.341 -12.275 1.00 59.47 H +ATOM 553 HA THR A 923 -13.355 -28.722 -14.308 1.00 58.79 H +ATOM 554 HB THR A 923 -15.355 -29.634 -13.535 1.00 71.45 H +ATOM 555 HG1 THR A 923 -14.145 -30.727 -11.249 1.00 74.26 H +ATOM 556 HG21 THR A 923 -15.102 -32.069 -13.603 1.00 71.82 H +ATOM 557 HG22 THR A 923 -14.051 -31.305 -14.788 1.00 71.82 H +ATOM 558 HG23 THR A 923 -13.377 -31.943 -13.294 1.00 71.82 H +ATOM 559 N GLY A 924 -12.571 -27.323 -11.637 1.00 53.95 N +ATOM 560 CA GLY A 924 -12.623 -26.151 -10.763 1.00 52.08 C +ATOM 561 C GLY A 924 -12.788 -24.830 -11.535 1.00 53.45 C +ATOM 562 O GLY A 924 -12.426 -24.728 -12.708 1.00 52.18 O +ATOM 563 H GLY A 924 -11.706 -27.844 -11.632 1.00 53.95 H +ATOM 564 HA3 GLY A 924 -11.683 -26.125 -10.215 1.00 52.08 H +ATOM 565 HA2 GLY A 924 -13.425 -26.270 -10.033 1.00 52.08 H +ATOM 566 N GLU A 925 -13.324 -23.810 -10.844 1.00 49.00 N +ATOM 567 CA GLU A 925 -13.602 -22.474 -11.376 1.00 47.60 C +ATOM 568 C GLU A 925 -12.333 -21.684 -11.730 1.00 48.02 C +ATOM 569 O GLU A 925 -11.391 -21.647 -10.938 1.00 45.98 O +ATOM 570 CB GLU A 925 -14.441 -21.680 -10.347 1.00 49.51 C +ATOM 571 CG GLU A 925 -15.856 -22.247 -10.096 1.00 66.63 C +ATOM 572 CD GLU A 925 -16.796 -22.122 -11.304 1.00 94.52 C +ATOM 573 OE1 GLU A 925 -16.972 -20.979 -11.784 1.00 89.72 O +ATOM 574 OE2 GLU A 925 -17.331 -23.170 -11.725 1.00 93.17 O1- +ATOM 575 H GLU A 925 -13.590 -23.957 -9.880 1.00 49.00 H +ATOM 576 HA GLU A 925 -14.185 -22.600 -12.290 1.00 47.60 H +ATOM 577 HB3 GLU A 925 -14.507 -20.633 -10.646 1.00 49.51 H +ATOM 578 HB2 GLU A 925 -13.910 -21.669 -9.394 1.00 49.51 H +ATOM 579 HG3 GLU A 925 -16.312 -21.709 -9.264 1.00 66.63 H +ATOM 580 HG2 GLU A 925 -15.791 -23.287 -9.773 1.00 66.63 H +ATOM 581 N MET A 926 -12.376 -21.016 -12.893 1.00 43.85 N +ATOM 582 CA MET A 926 -11.372 -20.052 -13.336 1.00 42.46 C +ATOM 583 C MET A 926 -11.611 -18.704 -12.636 1.00 43.50 C +ATOM 584 O MET A 926 -12.731 -18.192 -12.664 1.00 43.72 O +ATOM 585 CB MET A 926 -11.429 -19.907 -14.871 1.00 44.66 C +ATOM 586 CG MET A 926 -11.085 -21.206 -15.622 1.00 50.18 C +ATOM 587 SD MET A 926 -11.210 -21.107 -17.430 1.00 55.18 S +ATOM 588 CE MET A 926 -9.740 -20.126 -17.815 1.00 50.66 C +ATOM 589 H MET A 926 -13.209 -21.073 -13.464 1.00 43.85 H +ATOM 590 HA MET A 926 -10.384 -20.428 -13.070 1.00 42.46 H +ATOM 591 HB3 MET A 926 -10.737 -19.124 -15.180 1.00 44.66 H +ATOM 592 HB2 MET A 926 -12.419 -19.565 -15.178 1.00 44.66 H +ATOM 593 HG3 MET A 926 -11.755 -22.005 -15.304 1.00 50.18 H +ATOM 594 HG2 MET A 926 -10.078 -21.532 -15.362 1.00 50.18 H +ATOM 595 HE1 MET A 926 -9.634 -20.012 -18.894 1.00 50.66 H +ATOM 596 HE2 MET A 926 -9.824 -19.135 -17.376 1.00 50.66 H +ATOM 597 HE3 MET A 926 -8.844 -20.609 -17.427 1.00 50.66 H +ATOM 598 N VAL A 927 -10.551 -18.168 -12.017 1.00 36.95 N +ATOM 599 CA VAL A 927 -10.570 -16.927 -11.247 1.00 34.96 C +ATOM 600 C VAL A 927 -9.331 -16.077 -11.575 1.00 36.30 C +ATOM 601 O VAL A 927 -8.232 -16.612 -11.722 1.00 35.86 O +ATOM 602 CB VAL A 927 -10.610 -17.194 -9.711 1.00 39.31 C +ATOM 603 CG1 VAL A 927 -11.992 -17.683 -9.251 1.00 40.52 C +ATOM 604 CG2 VAL A 927 -9.507 -18.134 -9.180 1.00 39.38 C +ATOM 605 H VAL A 927 -9.662 -18.654 -12.039 1.00 36.95 H +ATOM 606 HA VAL A 927 -11.448 -16.339 -11.522 1.00 34.96 H +ATOM 607 HB VAL A 927 -10.456 -16.236 -9.212 1.00 39.31 H +ATOM 608 HG11 VAL A 927 -12.038 -17.771 -8.165 1.00 40.52 H +ATOM 609 HG12 VAL A 927 -12.769 -16.982 -9.554 1.00 40.52 H +ATOM 610 HG13 VAL A 927 -12.235 -18.658 -9.674 1.00 40.52 H +ATOM 611 HG21 VAL A 927 -9.586 -18.255 -8.099 1.00 39.38 H +ATOM 612 HG22 VAL A 927 -9.578 -19.128 -9.623 1.00 39.38 H +ATOM 613 HG23 VAL A 927 -8.510 -17.750 -9.382 1.00 39.38 H +ATOM 614 N ALA A 928 -9.546 -14.756 -11.667 1.00 33.12 N +ATOM 615 CA ALA A 928 -8.506 -13.752 -11.857 1.00 33.29 C +ATOM 616 C ALA A 928 -8.086 -13.216 -10.483 1.00 37.02 C +ATOM 617 O ALA A 928 -8.817 -12.428 -9.884 1.00 37.68 O +ATOM 618 CB ALA A 928 -9.054 -12.636 -12.757 1.00 33.26 C +ATOM 619 H ALA A 928 -10.476 -14.395 -11.503 1.00 33.12 H +ATOM 620 HA ALA A 928 -7.640 -14.190 -12.357 1.00 33.29 H +ATOM 621 HB1 ALA A 928 -8.316 -11.845 -12.901 1.00 33.26 H +ATOM 622 HB2 ALA A 928 -9.308 -13.028 -13.742 1.00 33.26 H +ATOM 623 HB3 ALA A 928 -9.953 -12.181 -12.339 1.00 33.26 H +ATOM 624 N VAL A 929 -6.929 -13.685 -9.998 1.00 32.01 N +ATOM 625 CA VAL A 929 -6.385 -13.331 -8.692 1.00 31.43 C +ATOM 626 C VAL A 929 -5.339 -12.221 -8.875 1.00 34.06 C +ATOM 627 O VAL A 929 -4.322 -12.445 -9.535 1.00 33.04 O +ATOM 628 CB VAL A 929 -5.698 -14.547 -8.012 1.00 35.67 C +ATOM 629 CG1 VAL A 929 -5.130 -14.225 -6.617 1.00 35.66 C +ATOM 630 CG2 VAL A 929 -6.643 -15.756 -7.910 1.00 35.86 C +ATOM 631 H VAL A 929 -6.365 -14.309 -10.561 1.00 32.01 H +ATOM 632 HA VAL A 929 -7.179 -12.977 -8.034 1.00 31.43 H +ATOM 633 HB VAL A 929 -4.857 -14.854 -8.629 1.00 35.67 H +ATOM 634 HG11 VAL A 929 -4.714 -15.115 -6.143 1.00 35.66 H +ATOM 635 HG12 VAL A 929 -4.328 -13.487 -6.657 1.00 35.66 H +ATOM 636 HG13 VAL A 929 -5.914 -13.838 -5.965 1.00 35.66 H +ATOM 637 HG21 VAL A 929 -6.160 -16.590 -7.401 1.00 35.86 H +ATOM 638 HG22 VAL A 929 -7.545 -15.504 -7.357 1.00 35.86 H +ATOM 639 HG23 VAL A 929 -6.942 -16.112 -8.895 1.00 35.86 H +ATOM 640 N LYS A 930 -5.610 -11.055 -8.273 1.00 30.97 N +ATOM 641 CA LYS A 930 -4.688 -9.925 -8.224 1.00 30.96 C +ATOM 642 C LYS A 930 -3.874 -9.976 -6.925 1.00 37.68 C +ATOM 643 O LYS A 930 -4.421 -10.310 -5.875 1.00 36.55 O +ATOM 644 CB LYS A 930 -5.482 -8.618 -8.397 1.00 33.16 C +ATOM 645 CG LYS A 930 -4.599 -7.367 -8.542 1.00 48.15 C +ATOM 646 CD LYS A 930 -5.416 -6.121 -8.900 1.00 51.77 C +ATOM 647 CE LYS A 930 -4.523 -4.890 -9.108 1.00 60.76 C +ATOM 648 NZ LYS A 930 -5.318 -3.714 -9.493 1.00 63.79 N1+ +ATOM 649 H LYS A 930 -6.465 -10.954 -7.740 1.00 30.97 H +ATOM 650 HA LYS A 930 -3.992 -9.993 -9.053 1.00 30.96 H +ATOM 651 HB3 LYS A 930 -6.191 -8.486 -7.580 1.00 33.16 H +ATOM 652 HB2 LYS A 930 -6.087 -8.710 -9.299 1.00 33.16 H +ATOM 653 HG3 LYS A 930 -3.847 -7.538 -9.312 1.00 48.15 H +ATOM 654 HG2 LYS A 930 -4.040 -7.183 -7.626 1.00 48.15 H +ATOM 655 HD3 LYS A 930 -6.143 -5.928 -8.109 1.00 51.77 H +ATOM 656 HD2 LYS A 930 -5.995 -6.317 -9.804 1.00 51.77 H +ATOM 657 HE3 LYS A 930 -3.789 -5.088 -9.888 1.00 60.76 H +ATOM 658 HE2 LYS A 930 -3.969 -4.658 -8.199 1.00 60.76 H +ATOM 659 HZ1 LYS A 930 -5.988 -3.511 -8.759 1.00 63.79 H +ATOM 660 HZ2 LYS A 930 -4.721 -2.911 -9.618 1.00 63.79 H +ATOM 661 HZ3 LYS A 930 -5.818 -3.896 -10.350 1.00 63.79 H +ATOM 662 N ALA A 931 -2.580 -9.642 -7.031 1.00 37.96 N +ATOM 663 CA ALA A 931 -1.623 -9.687 -5.933 1.00 40.37 C +ATOM 664 C ALA A 931 -0.830 -8.379 -5.859 1.00 49.88 C +ATOM 665 O ALA A 931 -0.449 -7.826 -6.890 1.00 48.28 O +ATOM 666 CB ALA A 931 -0.678 -10.880 -6.150 1.00 41.64 C +ATOM 667 H ALA A 931 -2.209 -9.351 -7.928 1.00 37.96 H +ATOM 668 HA ALA A 931 -2.145 -9.825 -4.984 1.00 40.37 H +ATOM 669 HB1 ALA A 931 0.015 -10.988 -5.314 1.00 41.64 H +ATOM 670 HB2 ALA A 931 -1.235 -11.814 -6.232 1.00 41.64 H +ATOM 671 HB3 ALA A 931 -0.088 -10.766 -7.060 1.00 41.64 H +ATOM 672 N LEU A 932 -0.559 -7.956 -4.618 1.00 51.32 N +ATOM 673 CA LEU A 932 0.354 -6.877 -4.255 1.00 53.72 C +ATOM 674 C LEU A 932 1.768 -7.462 -4.129 1.00 62.30 C +ATOM 675 O LEU A 932 1.938 -8.492 -3.473 1.00 63.20 O +ATOM 676 CB LEU A 932 -0.203 -6.237 -2.959 1.00 54.88 C +ATOM 677 CG LEU A 932 0.643 -5.234 -2.140 1.00 61.02 C +ATOM 678 CD1 LEU A 932 1.578 -5.910 -1.118 1.00 63.21 C +ATOM 679 CD2 LEU A 932 1.333 -4.164 -3.002 1.00 63.43 C +ATOM 680 H LEU A 932 -0.898 -8.507 -3.839 1.00 51.32 H +ATOM 681 HA LEU A 932 0.353 -6.121 -5.044 1.00 53.72 H +ATOM 682 HB3 LEU A 932 -0.550 -7.017 -2.280 1.00 54.88 H +ATOM 683 HB2 LEU A 932 -1.098 -5.708 -3.275 1.00 54.88 H +ATOM 684 HG LEU A 932 -0.082 -4.685 -1.537 1.00 61.02 H +ATOM 685 HD11 LEU A 932 2.578 -5.486 -1.128 1.00 63.21 H +ATOM 686 HD12 LEU A 932 1.192 -5.785 -0.107 1.00 63.21 H +ATOM 687 HD13 LEU A 932 1.671 -6.983 -1.281 1.00 63.21 H +ATOM 688 HD21 LEU A 932 1.351 -3.201 -2.490 1.00 63.43 H +ATOM 689 HD22 LEU A 932 2.361 -4.440 -3.233 1.00 63.43 H +ATOM 690 HD23 LEU A 932 0.815 -4.017 -3.948 1.00 63.43 H +ATOM 691 N LYS A 933 2.746 -6.805 -4.775 1.00 61.35 N +ATOM 692 CA LYS A 933 4.151 -7.223 -4.806 1.00 63.52 C +ATOM 693 C LYS A 933 4.791 -7.220 -3.401 1.00 70.14 C +ATOM 694 O LYS A 933 4.505 -6.330 -2.602 1.00 70.50 O +ATOM 695 CB LYS A 933 4.920 -6.342 -5.819 1.00 66.45 C +ATOM 696 CG LYS A 933 5.118 -4.872 -5.401 1.00 83.56 C +ATOM 697 CD LYS A 933 5.932 -4.051 -6.408 1.00 96.14 C +ATOM 698 CE LYS A 933 6.299 -2.668 -5.844 1.00107.75 C +ATOM 699 NZ LYS A 933 7.319 -1.991 -6.663 1.00116.59 N1+ +ATOM 700 H LYS A 933 2.523 -5.965 -5.289 1.00 61.35 H +ATOM 701 HA LYS A 933 4.168 -8.249 -5.180 1.00 63.52 H +ATOM 702 HB3 LYS A 933 4.426 -6.386 -6.790 1.00 66.45 H +ATOM 703 HB2 LYS A 933 5.906 -6.784 -5.971 1.00 66.45 H +ATOM 704 HG3 LYS A 933 5.647 -4.840 -4.451 1.00 83.56 H +ATOM 705 HG2 LYS A 933 4.149 -4.396 -5.240 1.00 83.56 H +ATOM 706 HD3 LYS A 933 5.354 -3.933 -7.326 1.00 96.14 H +ATOM 707 HD2 LYS A 933 6.830 -4.606 -6.684 1.00 96.14 H +ATOM 708 HE3 LYS A 933 6.712 -2.771 -4.840 1.00107.75 H +ATOM 709 HE2 LYS A 933 5.413 -2.038 -5.765 1.00107.75 H +ATOM 710 HZ1 LYS A 933 8.154 -2.563 -6.671 1.00116.59 H +ATOM 711 HZ2 LYS A 933 6.989 -1.866 -7.610 1.00116.59 H +ATOM 712 HZ3 LYS A 933 7.539 -1.092 -6.261 1.00116.59 H +ATOM 713 N ALA A 934 5.650 -8.217 -3.131 1.00 68.33 N +ATOM 714 CA ALA A 934 6.298 -8.425 -1.831 1.00 69.84 C +ATOM 715 C ALA A 934 7.265 -7.306 -1.401 1.00 75.29 C +ATOM 716 O ALA A 934 7.435 -7.096 -0.201 1.00 75.68 O +ATOM 717 CB ALA A 934 7.019 -9.781 -1.846 1.00 71.23 C +ATOM 718 H ALA A 934 5.847 -8.909 -3.840 1.00 68.33 H +ATOM 719 HA ALA A 934 5.511 -8.468 -1.076 1.00 69.84 H +ATOM 720 HB1 ALA A 934 7.460 -10.006 -0.874 1.00 71.23 H +ATOM 721 HB2 ALA A 934 6.330 -10.591 -2.085 1.00 71.23 H +ATOM 722 HB3 ALA A 934 7.820 -9.799 -2.587 1.00 71.23 H +ATOM 723 N ASP A 935 7.863 -6.609 -2.380 1.00 72.17 N +ATOM 724 CA ASP A 935 8.836 -5.527 -2.197 1.00 73.50 C +ATOM 725 C ASP A 935 8.185 -4.144 -1.962 1.00 75.83 C +ATOM 726 O ASP A 935 8.922 -3.179 -1.754 1.00 76.32 O +ATOM 727 CB ASP A 935 9.864 -5.475 -3.361 1.00 76.23 C +ATOM 728 CG ASP A 935 9.276 -5.328 -4.776 1.00 89.05 C +ATOM 729 OD1 ASP A 935 8.665 -6.306 -5.264 1.00 88.80 O +ATOM 730 OD2 ASP A 935 9.356 -4.200 -5.311 1.00 97.21 O1- +ATOM 731 H ASP A 935 7.672 -6.851 -3.344 1.00 72.17 H +ATOM 732 HA ASP A 935 9.406 -5.746 -1.292 1.00 73.50 H +ATOM 733 HB3 ASP A 935 10.432 -6.406 -3.352 1.00 76.23 H +ATOM 734 HB2 ASP A 935 10.609 -4.697 -3.179 1.00 76.23 H +ATOM 735 N ALA A 936 6.842 -4.054 -1.996 1.00 70.25 N +ATOM 736 CA ALA A 936 6.074 -2.822 -1.798 1.00 69.55 C +ATOM 737 C ALA A 936 6.250 -2.196 -0.405 1.00 73.05 C +ATOM 738 O ALA A 936 6.327 -2.920 0.589 1.00 73.05 O +ATOM 739 CB ALA A 936 4.591 -3.122 -2.034 1.00 68.72 C +ATOM 740 H ALA A 936 6.301 -4.891 -2.162 1.00 70.25 H +ATOM 741 HA ALA A 936 6.404 -2.099 -2.546 1.00 69.55 H +ATOM 742 HB1 ALA A 936 3.968 -2.252 -1.839 1.00 68.72 H +ATOM 743 HB2 ALA A 936 4.413 -3.419 -3.064 1.00 68.72 H +ATOM 744 HB3 ALA A 936 4.241 -3.921 -1.381 1.00 68.72 H +ATOM 745 N GLY A 937 6.263 -0.854 -0.374 1.00 68.94 N +ATOM 746 CA GLY A 937 6.335 -0.057 0.850 1.00 69.45 C +ATOM 747 C GLY A 937 4.933 0.143 1.460 1.00 71.44 C +ATOM 748 O GLY A 937 3.934 -0.265 0.865 1.00 69.33 O +ATOM 749 H GLY A 937 6.175 -0.344 -1.241 1.00 68.94 H +ATOM 750 HA3 GLY A 937 6.771 0.911 0.607 1.00 69.45 H +ATOM 751 HA2 GLY A 937 6.996 -0.534 1.576 1.00 69.45 H +ATOM 752 N PRO A 938 4.847 0.779 2.651 1.00 68.74 N +ATOM 753 CA PRO A 938 3.589 0.933 3.409 1.00 68.21 C +ATOM 754 C PRO A 938 2.501 1.788 2.729 1.00 71.10 C +ATOM 755 O PRO A 938 1.321 1.556 2.990 1.00 70.04 O +ATOM 756 CB PRO A 938 4.043 1.532 4.751 1.00 71.88 C +ATOM 757 CG PRO A 938 5.339 2.259 4.429 1.00 77.34 C +ATOM 758 CD PRO A 938 5.977 1.366 3.372 1.00 72.04 C +ATOM 759 HA PRO A 938 3.163 -0.053 3.593 1.00 68.21 H +ATOM 760 HB3 PRO A 938 4.244 0.723 5.455 1.00 71.88 H +ATOM 761 HB2 PRO A 938 3.305 2.188 5.216 1.00 71.88 H +ATOM 762 HG3 PRO A 938 5.975 2.421 5.300 1.00 77.34 H +ATOM 763 HG2 PRO A 938 5.111 3.233 3.994 1.00 77.34 H +ATOM 764 HD2 PRO A 938 6.648 1.939 2.732 1.00 72.04 H +ATOM 765 HD3 PRO A 938 6.549 0.565 3.842 1.00 72.04 H +ATOM 766 N GLN A 939 2.905 2.724 1.853 1.00 67.61 N +ATOM 767 CA GLN A 939 2.021 3.560 1.038 1.00 66.36 C +ATOM 768 C GLN A 939 1.200 2.757 0.008 1.00 68.88 C +ATOM 769 O GLN A 939 0.018 3.051 -0.168 1.00 67.37 O +ATOM 770 CB GLN A 939 2.817 4.723 0.389 1.00 68.30 C +ATOM 771 CG GLN A 939 3.855 4.379 -0.712 1.00 77.62 C +ATOM 772 CD GLN A 939 5.122 3.666 -0.222 1.00 79.26 C +ATOM 773 OE1 GLN A 939 5.529 3.809 0.929 1.00 70.91 O +ATOM 774 NE2 GLN A 939 5.769 2.907 -1.106 1.00 67.19 N +ATOM 775 H GLN A 939 3.896 2.872 1.712 1.00 67.61 H +ATOM 776 HA GLN A 939 1.304 4.015 1.725 1.00 66.36 H +ATOM 777 HB3 GLN A 939 3.296 5.311 1.174 1.00 68.30 H +ATOM 778 HB2 GLN A 939 2.092 5.403 -0.059 1.00 68.30 H +ATOM 779 HG3 GLN A 939 4.183 5.309 -1.175 1.00 77.62 H +ATOM 780 HG2 GLN A 939 3.393 3.803 -1.513 1.00 77.62 H +ATOM 781 HE22 GLN A 939 6.630 2.450 -0.845 1.00 67.19 H +ATOM 782 HE21 GLN A 939 5.407 2.784 -2.042 1.00 67.19 H +ATOM 783 N HIS A 940 1.825 1.743 -0.617 1.00 64.95 N +ATOM 784 CA HIS A 940 1.173 0.836 -1.562 1.00 63.06 C +ATOM 785 C HIS A 940 0.336 -0.247 -0.865 1.00 62.55 C +ATOM 786 O HIS A 940 -0.666 -0.669 -1.435 1.00 60.85 O +ATOM 787 CB HIS A 940 2.221 0.189 -2.485 1.00 64.66 C +ATOM 788 CG HIS A 940 2.915 1.133 -3.435 1.00 69.42 C +ATOM 789 ND1 HIS A 940 4.296 1.361 -3.394 1.00 71.01 N +ATOM 790 CD2 HIS A 940 2.373 1.877 -4.463 1.00 73.12 C +ATOM 791 CE1 HIS A 940 4.528 2.217 -4.381 1.00 71.34 C +ATOM 792 NE2 HIS A 940 3.425 2.560 -5.046 1.00 72.94 N +ATOM 793 H HIS A 940 2.793 1.547 -0.404 1.00 64.95 H +ATOM 794 HA HIS A 940 0.488 1.415 -2.185 1.00 63.06 H +ATOM 795 HB3 HIS A 940 1.764 -0.598 -3.086 1.00 64.66 H +ATOM 796 HB2 HIS A 940 2.982 -0.293 -1.874 1.00 64.66 H +ATOM 797 HD2 HIS A 940 1.359 1.973 -4.821 1.00 73.12 H +ATOM 798 HE1 HIS A 940 5.511 2.597 -4.622 1.00 71.34 H +ATOM 799 HE2 HIS A 940 3.370 3.192 -5.834 1.00 72.94 H +ATOM 800 N ARG A 941 0.746 -0.666 0.344 1.00 57.11 N +ATOM 801 CA ARG A 941 0.052 -1.670 1.157 1.00 55.94 C +ATOM 802 C ARG A 941 -1.244 -1.135 1.786 1.00 58.15 C +ATOM 803 O ARG A 941 -2.224 -1.878 1.834 1.00 56.90 O +ATOM 804 CB ARG A 941 1.002 -2.196 2.248 1.00 56.27 C +ATOM 805 CG ARG A 941 2.156 -3.035 1.684 1.00 60.46 C +ATOM 806 CD ARG A 941 3.217 -3.361 2.743 1.00 68.18 C +ATOM 807 NE ARG A 941 4.165 -4.372 2.252 1.00 73.45 N +ATOM 808 CZ ARG A 941 4.018 -5.707 2.308 1.00 81.37 C +ATOM 809 NH1 ARG A 941 2.961 -6.288 2.896 1.00 62.04 N +ATOM 810 NH2 ARG A 941 4.956 -6.483 1.753 1.00 66.65 N1+ +ATOM 811 H ARG A 941 1.591 -0.278 0.739 1.00 57.11 H +ATOM 812 HA ARG A 941 -0.219 -2.508 0.511 1.00 55.94 H +ATOM 813 HB3 ARG A 941 0.446 -2.825 2.943 1.00 56.27 H +ATOM 814 HB2 ARG A 941 1.388 -1.363 2.836 1.00 56.27 H +ATOM 815 HG3 ARG A 941 2.640 -2.439 0.911 1.00 60.46 H +ATOM 816 HG2 ARG A 941 1.797 -3.928 1.174 1.00 60.46 H +ATOM 817 HD3 ARG A 941 2.794 -3.586 3.722 1.00 68.18 H +ATOM 818 HD2 ARG A 941 3.836 -2.474 2.881 1.00 68.18 H +ATOM 819 HE ARG A 941 4.974 -4.003 1.765 1.00 73.45 H +ATOM 820 HH12 ARG A 941 2.887 -7.298 2.921 1.00 62.04 H +ATOM 821 HH11 ARG A 941 2.246 -5.725 3.329 1.00 62.04 H +ATOM 822 HH22 ARG A 941 4.856 -7.489 1.785 1.00 66.65 H +ATOM 823 HH21 ARG A 941 5.763 -6.083 1.293 1.00 66.65 H +ATOM 824 N SER A 942 -1.239 0.131 2.236 1.00 54.55 N +ATOM 825 CA SER A 942 -2.417 0.822 2.767 1.00 53.96 C +ATOM 826 C SER A 942 -3.462 1.145 1.681 1.00 53.99 C +ATOM 827 O SER A 942 -4.658 1.084 1.968 1.00 53.04 O +ATOM 828 CB SER A 942 -1.974 2.067 3.564 1.00 59.58 C +ATOM 829 OG SER A 942 -1.436 3.085 2.742 1.00 72.10 O +ATOM 830 H SER A 942 -0.386 0.673 2.189 1.00 54.55 H +ATOM 831 HA SER A 942 -2.895 0.143 3.476 1.00 53.96 H +ATOM 832 HB3 SER A 942 -1.237 1.795 4.320 1.00 59.58 H +ATOM 833 HB2 SER A 942 -2.827 2.484 4.101 1.00 59.58 H +ATOM 834 HG SER A 942 -0.537 2.843 2.506 1.00 72.10 H +ATOM 835 N GLY A 943 -2.996 1.435 0.454 1.00 48.43 N +ATOM 836 CA GLY A 943 -3.852 1.679 -0.702 1.00 46.49 C +ATOM 837 C GLY A 943 -4.391 0.364 -1.290 1.00 48.75 C +ATOM 838 O GLY A 943 -5.500 0.360 -1.821 1.00 47.89 O +ATOM 839 H GLY A 943 -1.998 1.478 0.302 1.00 48.43 H +ATOM 840 HA3 GLY A 943 -3.269 2.198 -1.462 1.00 46.49 H +ATOM 841 HA2 GLY A 943 -4.681 2.335 -0.430 1.00 46.49 H +ATOM 842 N TRP A 944 -3.627 -0.738 -1.184 1.00 44.46 N +ATOM 843 CA TRP A 944 -4.021 -2.081 -1.615 1.00 42.89 C +ATOM 844 C TRP A 944 -5.169 -2.670 -0.781 1.00 46.22 C +ATOM 845 O TRP A 944 -6.091 -3.245 -1.358 1.00 45.15 O +ATOM 846 CB TRP A 944 -2.793 -3.010 -1.631 1.00 42.12 C +ATOM 847 CG TRP A 944 -3.080 -4.467 -1.824 1.00 42.65 C +ATOM 848 CD1 TRP A 944 -2.885 -5.439 -0.904 1.00 46.33 C +ATOM 849 CD2 TRP A 944 -3.681 -5.119 -2.981 1.00 41.21 C +ATOM 850 NE1 TRP A 944 -3.284 -6.649 -1.429 1.00 45.34 N +ATOM 851 CE2 TRP A 944 -3.782 -6.515 -2.707 1.00 45.67 C +ATOM 852 CE3 TRP A 944 -4.149 -4.674 -4.238 1.00 41.70 C +ATOM 853 CZ2 TRP A 944 -4.298 -7.428 -3.640 1.00 44.10 C +ATOM 854 CZ3 TRP A 944 -4.676 -5.579 -5.179 1.00 42.27 C +ATOM 855 CH2 TRP A 944 -4.740 -6.953 -4.884 1.00 43.10 C +ATOM 856 H TRP A 944 -2.705 -0.662 -0.777 1.00 44.46 H +ATOM 857 HA TRP A 944 -4.393 -2.009 -2.639 1.00 42.89 H +ATOM 858 HB3 TRP A 944 -2.239 -2.906 -0.699 1.00 42.12 H +ATOM 859 HB2 TRP A 944 -2.112 -2.699 -2.425 1.00 42.12 H +ATOM 860 HD1 TRP A 944 -2.471 -5.278 0.081 1.00 46.33 H +ATOM 861 HE1 TRP A 944 -3.228 -7.524 -0.922 1.00 45.34 H +ATOM 862 HE3 TRP A 944 -4.103 -3.624 -4.481 1.00 41.70 H +ATOM 863 HZ2 TRP A 944 -4.352 -8.480 -3.407 1.00 44.10 H +ATOM 864 HZ3 TRP A 944 -5.029 -5.218 -6.131 1.00 42.27 H +ATOM 865 HH2 TRP A 944 -5.129 -7.641 -5.615 1.00 43.10 H +ATOM 866 N LYS A 945 -5.105 -2.485 0.550 1.00 43.92 N +ATOM 867 CA LYS A 945 -6.191 -2.822 1.471 1.00 44.34 C +ATOM 868 C LYS A 945 -7.476 -2.042 1.160 1.00 46.56 C +ATOM 869 O LYS A 945 -8.554 -2.623 1.243 1.00 45.36 O +ATOM 870 CB LYS A 945 -5.751 -2.571 2.926 1.00 49.05 C +ATOM 871 CG LYS A 945 -4.726 -3.589 3.445 1.00 67.10 C +ATOM 872 CD LYS A 945 -4.305 -3.287 4.894 1.00 82.17 C +ATOM 873 CE LYS A 945 -3.208 -4.218 5.438 1.00 95.75 C +ATOM 874 NZ LYS A 945 -1.895 -3.952 4.822 1.00106.63 N1+ +ATOM 875 H LYS A 945 -4.304 -2.017 0.951 1.00 43.92 H +ATOM 876 HA LYS A 945 -6.411 -3.885 1.350 1.00 44.34 H +ATOM 877 HB3 LYS A 945 -6.625 -2.624 3.579 1.00 49.05 H +ATOM 878 HB2 LYS A 945 -5.361 -1.556 3.025 1.00 49.05 H +ATOM 879 HG3 LYS A 945 -3.858 -3.605 2.789 1.00 67.10 H +ATOM 880 HG2 LYS A 945 -5.156 -4.590 3.397 1.00 67.10 H +ATOM 881 HD3 LYS A 945 -5.182 -3.377 5.537 1.00 82.17 H +ATOM 882 HD2 LYS A 945 -3.988 -2.245 4.978 1.00 82.17 H +ATOM 883 HE3 LYS A 945 -3.481 -5.262 5.281 1.00 95.75 H +ATOM 884 HE2 LYS A 945 -3.108 -4.074 6.514 1.00 95.75 H +ATOM 885 HZ1 LYS A 945 -1.958 -4.096 3.824 1.00106.63 H +ATOM 886 HZ2 LYS A 945 -1.626 -2.996 5.006 1.00106.63 H +ATOM 887 HZ3 LYS A 945 -1.206 -4.578 5.214 1.00106.63 H +ATOM 888 N GLN A 946 -7.327 -0.768 0.757 1.00 43.11 N +ATOM 889 CA GLN A 946 -8.435 0.101 0.379 1.00 42.59 C +ATOM 890 C GLN A 946 -9.104 -0.329 -0.944 1.00 44.21 C +ATOM 891 O GLN A 946 -10.323 -0.212 -1.029 1.00 44.62 O +ATOM 892 CB GLN A 946 -7.949 1.562 0.342 1.00 44.07 C +ATOM 893 CG GLN A 946 -9.112 2.570 0.435 1.00 72.22 C +ATOM 894 CD GLN A 946 -8.722 4.039 0.262 1.00 92.80 C +ATOM 895 OE1 GLN A 946 -9.605 4.886 0.154 1.00 86.97 O +ATOM 896 NE2 GLN A 946 -7.426 4.364 0.235 1.00 85.94 N +ATOM 897 H GLN A 946 -6.402 -0.366 0.700 1.00 43.11 H +ATOM 898 HA GLN A 946 -9.185 0.018 1.169 1.00 42.59 H +ATOM 899 HB3 GLN A 946 -7.370 1.733 -0.566 1.00 44.07 H +ATOM 900 HB2 GLN A 946 -7.272 1.737 1.180 1.00 44.07 H +ATOM 901 HG3 GLN A 946 -9.613 2.463 1.399 1.00 72.22 H +ATOM 902 HG2 GLN A 946 -9.861 2.347 -0.322 1.00 72.22 H +ATOM 903 HE22 GLN A 946 -7.136 5.321 0.106 1.00 85.94 H +ATOM 904 HE21 GLN A 946 -6.724 3.644 0.323 1.00 85.94 H +ATOM 905 N GLU A 947 -8.341 -0.874 -1.917 1.00 38.42 N +ATOM 906 CA GLU A 947 -8.896 -1.497 -3.128 1.00 36.42 C +ATOM 907 C GLU A 947 -9.773 -2.720 -2.812 1.00 41.24 C +ATOM 908 O GLU A 947 -10.865 -2.832 -3.369 1.00 41.44 O +ATOM 909 CB GLU A 947 -7.793 -1.835 -4.165 1.00 36.47 C +ATOM 910 CG GLU A 947 -8.321 -2.647 -5.383 1.00 37.83 C +ATOM 911 CD GLU A 947 -7.332 -2.963 -6.510 1.00 51.81 C +ATOM 912 OE1 GLU A 947 -6.118 -2.704 -6.360 1.00 50.51 O +ATOM 913 OE2 GLU A 947 -7.819 -3.483 -7.537 1.00 44.67 O1- +ATOM 914 H GLU A 947 -7.338 -0.927 -1.800 1.00 38.42 H +ATOM 915 HA GLU A 947 -9.549 -0.755 -3.593 1.00 36.42 H +ATOM 916 HB3 GLU A 947 -6.983 -2.382 -3.682 1.00 36.47 H +ATOM 917 HB2 GLU A 947 -7.355 -0.901 -4.515 1.00 36.47 H +ATOM 918 HG3 GLU A 947 -9.177 -2.127 -5.813 1.00 37.83 H +ATOM 919 HG2 GLU A 947 -8.692 -3.617 -5.051 1.00 37.83 H +ATOM 920 N ILE A 948 -9.272 -3.599 -1.926 1.00 37.07 N +ATOM 921 CA ILE A 948 -9.967 -4.801 -1.461 1.00 37.44 C +ATOM 922 C ILE A 948 -11.283 -4.464 -0.730 1.00 42.50 C +ATOM 923 O ILE A 948 -12.288 -5.117 -1.003 1.00 40.78 O +ATOM 924 CB ILE A 948 -9.054 -5.688 -0.558 1.00 40.85 C +ATOM 925 CG1 ILE A 948 -7.887 -6.291 -1.375 1.00 40.33 C +ATOM 926 CG2 ILE A 948 -9.796 -6.814 0.199 1.00 41.59 C +ATOM 927 CD1 ILE A 948 -6.671 -6.699 -0.527 1.00 45.34 C +ATOM 928 H ILE A 948 -8.358 -3.431 -1.528 1.00 37.07 H +ATOM 929 HA ILE A 948 -10.228 -5.382 -2.348 1.00 37.44 H +ATOM 930 HB ILE A 948 -8.610 -5.037 0.195 1.00 40.85 H +ATOM 931 HG13 ILE A 948 -7.538 -5.577 -2.122 1.00 40.33 H +ATOM 932 HG12 ILE A 948 -8.245 -7.151 -1.939 1.00 40.33 H +ATOM 933 HG21 ILE A 948 -9.110 -7.460 0.744 1.00 41.59 H +ATOM 934 HG22 ILE A 948 -10.494 -6.421 0.937 1.00 41.59 H +ATOM 935 HG23 ILE A 948 -10.361 -7.442 -0.491 1.00 41.59 H +ATOM 936 HD11 ILE A 948 -6.199 -7.594 -0.931 1.00 45.34 H +ATOM 937 HD12 ILE A 948 -5.924 -5.906 -0.520 1.00 45.34 H +ATOM 938 HD13 ILE A 948 -6.932 -6.902 0.510 1.00 45.34 H +ATOM 939 N ASP A 949 -11.260 -3.427 0.129 1.00 41.37 N +ATOM 940 CA ASP A 949 -12.433 -2.867 0.812 1.00 43.58 C +ATOM 941 C ASP A 949 -13.472 -2.293 -0.166 1.00 46.27 C +ATOM 942 O ASP A 949 -14.650 -2.611 -0.023 1.00 45.58 O +ATOM 943 CB ASP A 949 -12.082 -1.793 1.877 1.00 47.36 C +ATOM 944 CG ASP A 949 -11.137 -2.216 3.016 1.00 66.46 C +ATOM 945 OD1 ASP A 949 -11.033 -3.431 3.296 1.00 66.64 O +ATOM 946 OD2 ASP A 949 -10.616 -1.293 3.681 1.00 76.34 O1- +ATOM 947 H ASP A 949 -10.380 -2.965 0.319 1.00 41.37 H +ATOM 948 HA ASP A 949 -12.919 -3.699 1.326 1.00 43.58 H +ATOM 949 HB3 ASP A 949 -13.001 -1.432 2.342 1.00 47.36 H +ATOM 950 HB2 ASP A 949 -11.627 -0.936 1.377 1.00 47.36 H +ATOM 951 N ILE A 950 -13.021 -1.484 -1.143 1.00 42.07 N +ATOM 952 CA ILE A 950 -13.865 -0.856 -2.165 1.00 41.21 C +ATOM 953 C ILE A 950 -14.584 -1.879 -3.065 1.00 44.57 C +ATOM 954 O ILE A 950 -15.796 -1.776 -3.223 1.00 44.89 O +ATOM 955 CB ILE A 950 -13.074 0.179 -3.030 1.00 43.50 C +ATOM 956 CG1 ILE A 950 -12.772 1.447 -2.199 1.00 44.25 C +ATOM 957 CG2 ILE A 950 -13.743 0.588 -4.366 1.00 43.82 C +ATOM 958 CD1 ILE A 950 -11.740 2.389 -2.835 1.00 47.81 C +ATOM 959 H ILE A 950 -12.034 -1.263 -1.187 1.00 42.07 H +ATOM 960 HA ILE A 950 -14.646 -0.310 -1.630 1.00 41.21 H +ATOM 961 HB ILE A 950 -12.115 -0.277 -3.283 1.00 43.50 H +ATOM 962 HG13 ILE A 950 -12.436 1.183 -1.197 1.00 44.25 H +ATOM 963 HG12 ILE A 950 -13.700 1.993 -2.049 1.00 44.25 H +ATOM 964 HG21 ILE A 950 -13.176 1.363 -4.881 1.00 43.82 H +ATOM 965 HG22 ILE A 950 -13.808 -0.244 -5.066 1.00 43.82 H +ATOM 966 HG23 ILE A 950 -14.750 0.974 -4.203 1.00 43.82 H +ATOM 967 HD11 ILE A 950 -11.203 2.958 -2.077 1.00 47.81 H +ATOM 968 HD12 ILE A 950 -11.002 1.842 -3.421 1.00 47.81 H +ATOM 969 HD13 ILE A 950 -12.224 3.110 -3.494 1.00 47.81 H +ATOM 970 N LEU A 951 -13.844 -2.860 -3.609 1.00 41.27 N +ATOM 971 CA LEU A 951 -14.394 -3.889 -4.496 1.00 41.85 C +ATOM 972 C LEU A 951 -15.322 -4.889 -3.774 1.00 47.62 C +ATOM 973 O LEU A 951 -16.249 -5.398 -4.403 1.00 47.54 O +ATOM 974 CB LEU A 951 -13.231 -4.574 -5.249 1.00 41.42 C +ATOM 975 CG LEU A 951 -13.649 -5.508 -6.410 1.00 46.53 C +ATOM 976 CD1 LEU A 951 -14.414 -4.752 -7.521 1.00 46.18 C +ATOM 977 CD2 LEU A 951 -12.432 -6.278 -6.956 1.00 49.35 C +ATOM 978 H LEU A 951 -12.847 -2.896 -3.436 1.00 41.27 H +ATOM 979 HA LEU A 951 -15.012 -3.367 -5.227 1.00 41.85 H +ATOM 980 HB3 LEU A 951 -12.633 -5.137 -4.530 1.00 41.42 H +ATOM 981 HB2 LEU A 951 -12.564 -3.808 -5.649 1.00 41.42 H +ATOM 982 HG LEU A 951 -14.325 -6.266 -6.019 1.00 46.53 H +ATOM 983 HD11 LEU A 951 -14.019 -4.940 -8.518 1.00 46.18 H +ATOM 984 HD12 LEU A 951 -15.464 -5.047 -7.534 1.00 46.18 H +ATOM 985 HD13 LEU A 951 -14.385 -3.672 -7.381 1.00 46.18 H +ATOM 986 HD21 LEU A 951 -12.413 -6.333 -8.044 1.00 49.35 H +ATOM 987 HD22 LEU A 951 -11.496 -5.819 -6.643 1.00 49.35 H +ATOM 988 HD23 LEU A 951 -12.429 -7.303 -6.584 1.00 49.35 H +ATOM 989 N ARG A 952 -15.086 -5.118 -2.470 1.00 45.43 N +ATOM 990 CA ARG A 952 -15.912 -5.959 -1.601 1.00 47.25 C +ATOM 991 C ARG A 952 -17.298 -5.357 -1.286 1.00 52.09 C +ATOM 992 O ARG A 952 -18.247 -6.129 -1.145 1.00 53.68 O +ATOM 993 CB ARG A 952 -15.091 -6.318 -0.340 1.00 49.60 C +ATOM 994 CG ARG A 952 -15.843 -7.068 0.779 1.00 64.86 C +ATOM 995 CD ARG A 952 -14.937 -7.823 1.770 1.00 76.56 C +ATOM 996 NE ARG A 952 -13.881 -6.986 2.376 1.00 87.65 N +ATOM 997 CZ ARG A 952 -12.715 -7.407 2.908 1.00104.51 C +ATOM 998 NH1 ARG A 952 -12.352 -8.699 2.914 1.00 93.37 N +ATOM 999 NH2 ARG A 952 -11.884 -6.512 3.453 1.00 92.17 N1+ +ATOM 1000 H ARG A 952 -14.301 -4.663 -2.025 1.00 45.43 H +ATOM 1001 HA ARG A 952 -16.101 -6.892 -2.134 1.00 47.25 H +ATOM 1002 HB3 ARG A 952 -14.697 -5.398 0.092 1.00 49.60 H +ATOM 1003 HB2 ARG A 952 -14.226 -6.906 -0.649 1.00 49.60 H +ATOM 1004 HG3 ARG A 952 -16.421 -7.837 0.264 1.00 64.86 H +ATOM 1005 HG2 ARG A 952 -16.577 -6.448 1.297 1.00 64.86 H +ATOM 1006 HD3 ARG A 952 -14.592 -8.768 1.357 1.00 76.56 H +ATOM 1007 HD2 ARG A 952 -15.557 -8.089 2.626 1.00 76.56 H +ATOM 1008 HE ARG A 952 -14.078 -5.996 2.402 1.00 87.65 H +ATOM 1009 HH12 ARG A 952 -11.476 -8.988 3.325 1.00 93.37 H +ATOM 1010 HH11 ARG A 952 -12.951 -9.389 2.485 1.00 93.37 H +ATOM 1011 HH22 ARG A 952 -12.087 -5.519 3.426 1.00 92.17 H +ATOM 1012 HH21 ARG A 952 -11.009 -6.805 3.861 1.00 92.17 H +ATOM 1013 N THR A 953 -17.407 -4.018 -1.203 1.00 47.85 N +ATOM 1014 CA THR A 953 -18.679 -3.317 -0.978 1.00 48.24 C +ATOM 1015 C THR A 953 -19.466 -3.052 -2.282 1.00 50.96 C +ATOM 1016 O THR A 953 -20.681 -2.871 -2.196 1.00 52.21 O +ATOM 1017 CB THR A 953 -18.474 -1.955 -0.257 1.00 56.81 C +ATOM 1018 OG1 THR A 953 -17.729 -1.035 -1.034 1.00 60.06 O +ATOM 1019 CG2 THR A 953 -17.848 -2.087 1.139 1.00 56.45 C +ATOM 1020 H THR A 953 -16.592 -3.432 -1.323 1.00 47.85 H +ATOM 1021 HA THR A 953 -19.313 -3.933 -0.338 1.00 48.24 H +ATOM 1022 HB THR A 953 -19.453 -1.494 -0.115 1.00 56.81 H +ATOM 1023 HG1 THR A 953 -17.579 -0.237 -0.518 1.00 60.06 H +ATOM 1024 HG21 THR A 953 -17.701 -1.110 1.601 1.00 56.45 H +ATOM 1025 HG22 THR A 953 -18.495 -2.666 1.798 1.00 56.45 H +ATOM 1026 HG23 THR A 953 -16.885 -2.591 1.111 1.00 56.45 H +ATOM 1027 N LEU A 954 -18.797 -3.053 -3.450 1.00 45.03 N +ATOM 1028 CA LEU A 954 -19.441 -2.879 -4.754 1.00 43.59 C +ATOM 1029 C LEU A 954 -20.046 -4.200 -5.254 1.00 47.51 C +ATOM 1030 O LEU A 954 -19.407 -5.248 -5.151 1.00 46.90 O +ATOM 1031 CB LEU A 954 -18.416 -2.343 -5.779 1.00 41.91 C +ATOM 1032 CG LEU A 954 -17.939 -0.893 -5.544 1.00 44.98 C +ATOM 1033 CD1 LEU A 954 -16.672 -0.604 -6.360 1.00 43.77 C +ATOM 1034 CD2 LEU A 954 -19.026 0.163 -5.817 1.00 45.62 C +ATOM 1035 H LEU A 954 -17.798 -3.203 -3.455 1.00 45.03 H +ATOM 1036 HA LEU A 954 -20.251 -2.157 -4.649 1.00 43.59 H +ATOM 1037 HB3 LEU A 954 -18.832 -2.405 -6.787 1.00 41.91 H +ATOM 1038 HB2 LEU A 954 -17.551 -3.010 -5.778 1.00 41.91 H +ATOM 1039 HG LEU A 954 -17.680 -0.790 -4.492 1.00 44.98 H +ATOM 1040 HD11 LEU A 954 -16.372 0.440 -6.268 1.00 43.77 H +ATOM 1041 HD12 LEU A 954 -15.835 -1.211 -6.014 1.00 43.77 H +ATOM 1042 HD13 LEU A 954 -16.821 -0.822 -7.417 1.00 43.77 H +ATOM 1043 HD21 LEU A 954 -18.846 1.060 -5.227 1.00 45.62 H +ATOM 1044 HD22 LEU A 954 -19.047 0.454 -6.867 1.00 45.62 H +ATOM 1045 HD23 LEU A 954 -20.022 -0.184 -5.556 1.00 45.62 H +ATOM 1046 N TYR A 955 -21.260 -4.105 -5.819 1.00 44.63 N +ATOM 1047 CA TYR A 955 -21.983 -5.219 -6.422 1.00 45.07 C +ATOM 1048 C TYR A 955 -22.881 -4.667 -7.538 1.00 45.96 C +ATOM 1049 O TYR A 955 -23.879 -4.007 -7.245 1.00 46.41 O +ATOM 1050 CB TYR A 955 -22.766 -5.994 -5.338 1.00 49.65 C +ATOM 1051 CG TYR A 955 -23.413 -7.280 -5.825 1.00 54.91 C +ATOM 1052 CD1 TYR A 955 -22.690 -8.491 -5.774 1.00 57.41 C +ATOM 1053 CD2 TYR A 955 -24.729 -7.275 -6.334 1.00 57.57 C +ATOM 1054 CE1 TYR A 955 -23.279 -9.687 -6.228 1.00 59.75 C +ATOM 1055 CE2 TYR A 955 -25.314 -8.469 -6.797 1.00 60.10 C +ATOM 1056 CZ TYR A 955 -24.590 -9.676 -6.742 1.00 68.68 C +ATOM 1057 OH TYR A 955 -25.161 -10.833 -7.187 1.00 72.06 O +ATOM 1058 H TYR A 955 -21.733 -3.211 -5.844 1.00 44.63 H +ATOM 1059 HA TYR A 955 -21.264 -5.905 -6.873 1.00 45.07 H +ATOM 1060 HB3 TYR A 955 -23.529 -5.356 -4.888 1.00 49.65 H +ATOM 1061 HB2 TYR A 955 -22.091 -6.258 -4.522 1.00 49.65 H +ATOM 1062 HD1 TYR A 955 -21.681 -8.504 -5.389 1.00 57.41 H +ATOM 1063 HD2 TYR A 955 -25.291 -6.353 -6.378 1.00 57.57 H +ATOM 1064 HE1 TYR A 955 -22.717 -10.608 -6.181 1.00 59.75 H +ATOM 1065 HE2 TYR A 955 -26.320 -8.458 -7.190 1.00 60.10 H +ATOM 1066 HH TYR A 955 -24.592 -11.599 -7.087 1.00 72.06 H +ATOM 1067 N HIS A 956 -22.500 -4.944 -8.794 1.00 39.68 N +ATOM 1068 CA HIS A 956 -23.212 -4.512 -9.996 1.00 38.26 C +ATOM 1069 C HIS A 956 -22.866 -5.445 -11.162 1.00 41.07 C +ATOM 1070 O HIS A 956 -21.760 -5.986 -11.208 1.00 39.48 O +ATOM 1071 CB HIS A 956 -22.844 -3.047 -10.318 1.00 37.69 C +ATOM 1072 CG HIS A 956 -23.836 -2.324 -11.193 1.00 40.30 C +ATOM 1073 ND1 HIS A 956 -23.676 -2.210 -12.577 1.00 40.74 N +ATOM 1074 CD2 HIS A 956 -25.002 -1.686 -10.825 1.00 42.24 C +ATOM 1075 CE1 HIS A 956 -24.733 -1.519 -12.984 1.00 40.29 C +ATOM 1076 NE2 HIS A 956 -25.550 -1.179 -11.989 1.00 41.53 N +ATOM 1077 H HIS A 956 -21.665 -5.494 -8.953 1.00 39.68 H +ATOM 1078 HA HIS A 956 -24.284 -4.585 -9.796 1.00 38.26 H +ATOM 1079 HB3 HIS A 956 -21.857 -2.986 -10.778 1.00 37.69 H +ATOM 1080 HB2 HIS A 956 -22.772 -2.476 -9.395 1.00 37.69 H +ATOM 1081 HD2 HIS A 956 -25.467 -1.557 -9.859 1.00 42.24 H +ATOM 1082 HE1 HIS A 956 -24.909 -1.252 -14.014 1.00 40.29 H +ATOM 1083 HE2 HIS A 956 -26.411 -0.655 -12.072 1.00 41.53 H +ATOM 1084 N GLU A 957 -23.808 -5.580 -12.110 1.00 37.79 N +ATOM 1085 CA GLU A 957 -23.646 -6.366 -13.338 1.00 37.07 C +ATOM 1086 C GLU A 957 -22.581 -5.811 -14.309 1.00 38.36 C +ATOM 1087 O GLU A 957 -22.069 -6.584 -15.119 1.00 38.29 O +ATOM 1088 CB GLU A 957 -25.017 -6.521 -14.032 1.00 39.83 C +ATOM 1089 CG GLU A 957 -25.639 -5.202 -14.545 1.00 51.33 C +ATOM 1090 CD GLU A 957 -26.973 -5.377 -15.283 1.00 75.08 C +ATOM 1091 OE1 GLU A 957 -27.876 -4.551 -15.023 1.00 76.02 O +ATOM 1092 OE2 GLU A 957 -27.077 -6.311 -16.109 1.00 61.54 O1- +ATOM 1093 H GLU A 957 -24.697 -5.109 -11.999 1.00 37.79 H +ATOM 1094 HA GLU A 957 -23.315 -7.363 -13.038 1.00 37.07 H +ATOM 1095 HB3 GLU A 957 -25.713 -7.007 -13.347 1.00 39.83 H +ATOM 1096 HB2 GLU A 957 -24.898 -7.214 -14.866 1.00 39.83 H +ATOM 1097 HG3 GLU A 957 -24.955 -4.731 -15.244 1.00 51.33 H +ATOM 1098 HG2 GLU A 957 -25.753 -4.493 -13.725 1.00 51.33 H +ATOM 1099 N HIS A 958 -22.266 -4.507 -14.202 1.00 33.06 N +ATOM 1100 CA HIS A 958 -21.263 -3.805 -15.008 1.00 30.23 C +ATOM 1101 C HIS A 958 -20.045 -3.370 -14.175 1.00 34.52 C +ATOM 1102 O HIS A 958 -19.363 -2.415 -14.546 1.00 33.24 O +ATOM 1103 CB HIS A 958 -21.913 -2.635 -15.775 1.00 29.49 C +ATOM 1104 CG HIS A 958 -23.094 -3.030 -16.626 1.00 32.84 C +ATOM 1105 ND1 HIS A 958 -23.069 -4.116 -17.483 1.00 34.50 N +ATOM 1106 CD2 HIS A 958 -24.367 -2.515 -16.722 1.00 35.61 C +ATOM 1107 CE1 HIS A 958 -24.286 -4.227 -18.018 1.00 34.74 C +ATOM 1108 NE2 HIS A 958 -25.123 -3.285 -17.606 1.00 35.88 N +ATOM 1109 H HIS A 958 -22.751 -3.939 -13.519 1.00 33.06 H +ATOM 1110 HA HIS A 958 -20.862 -4.495 -15.749 1.00 30.23 H +ATOM 1111 HB3 HIS A 958 -21.178 -2.172 -16.435 1.00 29.49 H +ATOM 1112 HB2 HIS A 958 -22.237 -1.860 -15.079 1.00 29.49 H +ATOM 1113 HD1 HIS A 958 -22.273 -4.714 -17.661 1.00 34.50 H +ATOM 1114 HD2 HIS A 958 -24.807 -1.676 -16.210 1.00 35.61 H +ATOM 1115 HE1 HIS A 958 -24.562 -4.994 -18.726 1.00 34.74 H +ATOM 1116 N ILE A 959 -19.758 -4.122 -13.102 1.00 33.55 N +ATOM 1117 CA ILE A 959 -18.513 -4.085 -12.339 1.00 33.44 C +ATOM 1118 C ILE A 959 -18.048 -5.543 -12.152 1.00 38.25 C +ATOM 1119 O ILE A 959 -18.891 -6.426 -11.973 1.00 38.75 O +ATOM 1120 CB ILE A 959 -18.700 -3.369 -10.959 1.00 37.20 C +ATOM 1121 CG1 ILE A 959 -18.910 -1.848 -11.173 1.00 36.98 C +ATOM 1122 CG2 ILE A 959 -17.554 -3.612 -9.949 1.00 38.30 C +ATOM 1123 CD1 ILE A 959 -19.229 -1.049 -9.902 1.00 43.20 C +ATOM 1124 H ILE A 959 -20.381 -4.880 -12.858 1.00 33.55 H +ATOM 1125 HA ILE A 959 -17.747 -3.561 -12.911 1.00 33.44 H +ATOM 1126 HB ILE A 959 -19.610 -3.762 -10.502 1.00 37.20 H +ATOM 1127 HG13 ILE A 959 -19.722 -1.677 -11.879 1.00 36.98 H +ATOM 1128 HG12 ILE A 959 -18.021 -1.424 -11.638 1.00 36.98 H +ATOM 1129 HG21 ILE A 959 -17.680 -3.036 -9.034 1.00 38.30 H +ATOM 1130 HG22 ILE A 959 -17.504 -4.652 -9.633 1.00 38.30 H +ATOM 1131 HG23 ILE A 959 -16.590 -3.347 -10.379 1.00 38.30 H +ATOM 1132 HD11 ILE A 959 -19.719 -0.110 -10.158 1.00 43.20 H +ATOM 1133 HD12 ILE A 959 -19.889 -1.604 -9.235 1.00 43.20 H +ATOM 1134 HD13 ILE A 959 -18.323 -0.797 -9.352 1.00 43.20 H +ATOM 1135 N ILE A 960 -16.722 -5.778 -12.199 1.00 34.04 N +ATOM 1136 CA ILE A 960 -16.103 -7.089 -11.969 1.00 34.30 C +ATOM 1137 C ILE A 960 -16.404 -7.598 -10.542 1.00 39.83 C +ATOM 1138 O ILE A 960 -16.171 -6.877 -9.571 1.00 39.81 O +ATOM 1139 CB ILE A 960 -14.562 -7.077 -12.223 1.00 35.69 C +ATOM 1140 CG1 ILE A 960 -13.980 -8.512 -12.252 1.00 36.05 C +ATOM 1141 CG2 ILE A 960 -13.761 -6.184 -11.246 1.00 35.48 C +ATOM 1142 CD1 ILE A 960 -12.566 -8.631 -12.844 1.00 37.96 C +ATOM 1143 H ILE A 960 -16.085 -5.009 -12.369 1.00 34.04 H +ATOM 1144 HA ILE A 960 -16.557 -7.774 -12.688 1.00 34.30 H +ATOM 1145 HB ILE A 960 -14.424 -6.656 -13.220 1.00 35.69 H +ATOM 1146 HG13 ILE A 960 -14.642 -9.150 -12.839 1.00 36.05 H +ATOM 1147 HG12 ILE A 960 -13.984 -8.936 -11.247 1.00 36.05 H +ATOM 1148 HG21 ILE A 960 -12.742 -6.020 -11.594 1.00 35.48 H +ATOM 1149 HG22 ILE A 960 -14.222 -5.203 -11.131 1.00 35.48 H +ATOM 1150 HG23 ILE A 960 -13.683 -6.633 -10.257 1.00 35.48 H +ATOM 1151 HD11 ILE A 960 -11.934 -9.264 -12.221 1.00 37.96 H +ATOM 1152 HD12 ILE A 960 -12.597 -9.084 -13.834 1.00 37.96 H +ATOM 1153 HD13 ILE A 960 -12.065 -7.670 -12.948 1.00 37.96 H +ATOM 1154 N LYS A 961 -16.984 -8.804 -10.450 1.00 38.47 N +ATOM 1155 CA LYS A 961 -17.508 -9.334 -9.197 1.00 40.15 C +ATOM 1156 C LYS A 961 -16.382 -9.870 -8.302 1.00 44.21 C +ATOM 1157 O LYS A 961 -15.549 -10.660 -8.753 1.00 42.58 O +ATOM 1158 CB LYS A 961 -18.572 -10.416 -9.471 1.00 43.99 C +ATOM 1159 CG LYS A 961 -19.531 -10.611 -8.279 1.00 65.82 C +ATOM 1160 CD LYS A 961 -20.376 -11.889 -8.358 1.00 82.27 C +ATOM 1161 CE LYS A 961 -19.590 -13.141 -7.933 1.00 98.09 C +ATOM 1162 NZ LYS A 961 -20.439 -14.344 -7.951 1.00108.33 N1+ +ATOM 1163 H LYS A 961 -17.162 -9.351 -11.285 1.00 38.47 H +ATOM 1164 HA LYS A 961 -18.005 -8.516 -8.672 1.00 40.15 H +ATOM 1165 HB3 LYS A 961 -18.087 -11.352 -9.750 1.00 43.99 H +ATOM 1166 HB2 LYS A 961 -19.179 -10.126 -10.330 1.00 43.99 H +ATOM 1167 HG3 LYS A 961 -20.200 -9.751 -8.233 1.00 65.82 H +ATOM 1168 HG2 LYS A 961 -18.986 -10.605 -7.335 1.00 65.82 H +ATOM 1169 HD3 LYS A 961 -20.746 -12.012 -9.378 1.00 82.27 H +ATOM 1170 HD2 LYS A 961 -21.259 -11.767 -7.729 1.00 82.27 H +ATOM 1171 HE3 LYS A 961 -19.197 -13.012 -6.923 1.00 98.09 H +ATOM 1172 HE2 LYS A 961 -18.735 -13.304 -8.589 1.00 98.09 H +ATOM 1173 HZ1 LYS A 961 -20.777 -14.500 -8.890 1.00108.33 H +ATOM 1174 HZ2 LYS A 961 -19.902 -15.143 -7.647 1.00108.33 H +ATOM 1175 HZ3 LYS A 961 -21.224 -14.213 -7.329 1.00108.33 H +ATOM 1176 N TYR A 962 -16.430 -9.444 -7.032 1.00 42.43 N +ATOM 1177 CA TYR A 962 -15.610 -9.940 -5.935 1.00 43.53 C +ATOM 1178 C TYR A 962 -16.001 -11.390 -5.592 1.00 47.09 C +ATOM 1179 O TYR A 962 -17.139 -11.625 -5.182 1.00 48.07 O +ATOM 1180 CB TYR A 962 -15.807 -8.977 -4.743 1.00 46.00 C +ATOM 1181 CG TYR A 962 -15.052 -9.322 -3.473 1.00 48.99 C +ATOM 1182 CD1 TYR A 962 -13.693 -8.973 -3.349 1.00 50.72 C +ATOM 1183 CD2 TYR A 962 -15.708 -9.972 -2.407 1.00 51.43 C +ATOM 1184 CE1 TYR A 962 -12.986 -9.292 -2.173 1.00 52.08 C +ATOM 1185 CE2 TYR A 962 -15.003 -10.287 -1.231 1.00 53.15 C +ATOM 1186 CZ TYR A 962 -13.638 -9.957 -1.118 1.00 59.98 C +ATOM 1187 OH TYR A 962 -12.946 -10.296 0.007 1.00 63.78 O +ATOM 1188 H TYR A 962 -17.144 -8.781 -6.769 1.00 42.43 H +ATOM 1189 HA TYR A 962 -14.562 -9.907 -6.242 1.00 43.53 H +ATOM 1190 HB3 TYR A 962 -16.868 -8.902 -4.498 1.00 46.00 H +ATOM 1191 HB2 TYR A 962 -15.510 -7.972 -5.041 1.00 46.00 H +ATOM 1192 HD1 TYR A 962 -13.193 -8.463 -4.159 1.00 50.72 H +ATOM 1193 HD2 TYR A 962 -16.752 -10.238 -2.492 1.00 51.43 H +ATOM 1194 HE1 TYR A 962 -11.942 -9.032 -2.085 1.00 52.08 H +ATOM 1195 HE2 TYR A 962 -15.506 -10.796 -0.421 1.00 53.15 H +ATOM 1196 HH TYR A 962 -12.006 -10.107 -0.068 1.00 63.78 H +ATOM 1197 N LYS A 963 -15.056 -12.326 -5.771 1.00 42.37 N +ATOM 1198 CA LYS A 963 -15.203 -13.726 -5.366 1.00 42.56 C +ATOM 1199 C LYS A 963 -14.894 -13.913 -3.870 1.00 48.47 C +ATOM 1200 O LYS A 963 -15.618 -14.649 -3.202 1.00 50.00 O +ATOM 1201 CB LYS A 963 -14.273 -14.612 -6.220 1.00 43.06 C +ATOM 1202 CG LYS A 963 -14.767 -14.929 -7.644 1.00 48.30 C +ATOM 1203 CD LYS A 963 -15.641 -16.192 -7.735 1.00 61.25 C +ATOM 1204 CE LYS A 963 -15.976 -16.567 -9.192 1.00 72.82 C +ATOM 1205 NZ LYS A 963 -16.598 -17.901 -9.298 1.00 84.70 N1+ +ATOM 1206 H LYS A 963 -14.146 -12.058 -6.119 1.00 42.37 H +ATOM 1207 HA LYS A 963 -16.234 -14.043 -5.540 1.00 42.56 H +ATOM 1208 HB3 LYS A 963 -14.079 -15.557 -5.715 1.00 43.06 H +ATOM 1209 HB2 LYS A 963 -13.305 -14.125 -6.282 1.00 43.06 H +ATOM 1210 HG3 LYS A 963 -13.891 -15.083 -8.273 1.00 48.30 H +ATOM 1211 HG2 LYS A 963 -15.294 -14.072 -8.064 1.00 48.30 H +ATOM 1212 HD3 LYS A 963 -16.561 -16.038 -7.170 1.00 61.25 H +ATOM 1213 HD2 LYS A 963 -15.118 -17.020 -7.253 1.00 61.25 H +ATOM 1214 HE3 LYS A 963 -15.071 -16.580 -9.798 1.00 72.82 H +ATOM 1215 HE2 LYS A 963 -16.640 -15.822 -9.633 1.00 72.82 H +ATOM 1216 HZ1 LYS A 963 -17.463 -17.922 -8.778 1.00 84.70 H +ATOM 1217 HZ2 LYS A 963 -16.786 -18.114 -10.268 1.00 84.70 H +ATOM 1218 HZ3 LYS A 963 -15.968 -18.599 -8.928 1.00 84.70 H +ATOM 1219 N GLY A 964 -13.828 -13.257 -3.383 1.00 44.37 N +ATOM 1220 CA GLY A 964 -13.322 -13.425 -2.026 1.00 45.35 C +ATOM 1221 C GLY A 964 -11.876 -12.923 -1.976 1.00 49.58 C +ATOM 1222 O GLY A 964 -11.436 -12.157 -2.835 1.00 45.71 O +ATOM 1223 H GLY A 964 -13.284 -12.660 -3.993 1.00 44.37 H +ATOM 1224 HA3 GLY A 964 -13.348 -14.475 -1.734 1.00 45.35 H +ATOM 1225 HA2 GLY A 964 -13.937 -12.871 -1.318 1.00 45.35 H +ATOM 1226 N CYS A 965 -11.142 -13.356 -0.943 1.00 49.54 N +ATOM 1227 CA CYS A 965 -9.711 -13.105 -0.776 1.00 51.02 C +ATOM 1228 C CYS A 965 -8.996 -14.425 -0.468 1.00 57.60 C +ATOM 1229 O CYS A 965 -9.612 -15.360 0.039 1.00 57.77 O +ATOM 1230 CB CYS A 965 -9.421 -12.070 0.332 1.00 52.68 C +ATOM 1231 SG CYS A 965 -9.626 -10.388 -0.314 1.00 55.96 S +ATOM 1232 H CYS A 965 -11.563 -13.969 -0.256 1.00 49.54 H +ATOM 1233 HA CYS A 965 -9.296 -12.749 -1.718 1.00 51.02 H +ATOM 1234 HB3 CYS A 965 -8.393 -12.146 0.688 1.00 52.68 H +ATOM 1235 HB2 CYS A 965 -10.070 -12.219 1.196 1.00 52.68 H +ATOM 1236 HG CYS A 965 -8.572 -10.428 -1.135 1.00 55.96 H +ATOM 1237 N CYS A 966 -7.692 -14.458 -0.772 1.00 56.83 N +ATOM 1238 CA CYS A 966 -6.805 -15.582 -0.501 1.00 59.37 C +ATOM 1239 C CYS A 966 -5.684 -15.111 0.433 1.00 64.61 C +ATOM 1240 O CYS A 966 -5.062 -14.084 0.157 1.00 62.66 O +ATOM 1241 CB CYS A 966 -6.273 -16.194 -1.818 1.00 59.95 C +ATOM 1242 SG CYS A 966 -5.028 -17.487 -1.549 1.00 65.77 S +ATOM 1243 H CYS A 966 -7.257 -13.642 -1.183 1.00 56.83 H +ATOM 1244 HA CYS A 966 -7.354 -16.359 0.028 1.00 59.37 H +ATOM 1245 HB3 CYS A 966 -5.833 -15.427 -2.450 1.00 59.95 H +ATOM 1246 HB2 CYS A 966 -7.087 -16.624 -2.397 1.00 59.95 H +ATOM 1247 HG CYS A 966 -5.856 -18.347 -0.947 1.00 65.77 H +ATOM 1248 N GLU A 967 -5.426 -15.894 1.495 1.00 64.28 N +ATOM 1249 CA GLU A 967 -4.285 -15.722 2.393 1.00 65.86 C +ATOM 1250 C GLU A 967 -2.977 -16.001 1.633 1.00 70.57 C +ATOM 1251 O GLU A 967 -2.751 -17.140 1.218 1.00 70.73 O +ATOM 1252 CB GLU A 967 -4.432 -16.675 3.601 1.00 69.10 C +ATOM 1253 CG GLU A 967 -3.299 -16.537 4.661 1.00 81.26 C +ATOM 1254 CD GLU A 967 -2.819 -17.832 5.345 1.00 98.19 C +ATOM 1255 OE1 GLU A 967 -1.791 -17.730 6.051 1.00 78.88 O +ATOM 1256 OE2 GLU A 967 -3.452 -18.898 5.170 1.00 93.22 O1- +ATOM 1257 H GLU A 967 -5.983 -16.723 1.647 1.00 64.28 H +ATOM 1258 HA GLU A 967 -4.285 -14.693 2.759 1.00 65.86 H +ATOM 1259 HB3 GLU A 967 -4.506 -17.692 3.214 1.00 69.10 H +ATOM 1260 HB2 GLU A 967 -5.388 -16.487 4.092 1.00 69.10 H +ATOM 1261 HG3 GLU A 967 -3.640 -15.856 5.442 1.00 81.26 H +ATOM 1262 HG2 GLU A 967 -2.419 -16.055 4.236 1.00 81.26 H +ATOM 1263 N ASP A 968 -2.146 -14.959 1.486 1.00 66.99 N +ATOM 1264 CA ASP A 968 -0.819 -15.061 0.893 1.00 67.07 C +ATOM 1265 C ASP A 968 0.183 -15.084 2.058 1.00 72.70 C +ATOM 1266 O ASP A 968 0.385 -14.059 2.713 1.00 72.95 O +ATOM 1267 CB ASP A 968 -0.562 -13.898 -0.102 1.00 67.90 C +ATOM 1268 CG ASP A 968 0.531 -14.115 -1.163 1.00 83.41 C +ATOM 1269 OD1 ASP A 968 1.212 -15.166 -1.136 1.00 85.94 O +ATOM 1270 OD2 ASP A 968 0.684 -13.199 -2.001 1.00 90.83 O1- +ATOM 1271 H ASP A 968 -2.394 -14.052 1.856 1.00 66.99 H +ATOM 1272 HA ASP A 968 -0.742 -16.003 0.347 1.00 67.07 H +ATOM 1273 HB3 ASP A 968 -0.318 -12.982 0.436 1.00 67.90 H +ATOM 1274 HB2 ASP A 968 -1.498 -13.674 -0.611 1.00 67.90 H +ATOM 1275 N ALA A 969 0.769 -16.269 2.300 1.00 69.93 N +ATOM 1276 CA ALA A 969 1.803 -16.496 3.313 1.00 70.98 C +ATOM 1277 C ALA A 969 3.133 -15.800 2.972 1.00 74.28 C +ATOM 1278 O ALA A 969 3.798 -15.301 3.880 1.00 74.55 O +ATOM 1279 CB ALA A 969 1.999 -18.007 3.503 1.00 72.54 C +ATOM 1280 H ALA A 969 0.520 -17.067 1.734 1.00 69.93 H +ATOM 1281 HA ALA A 969 1.442 -16.082 4.258 1.00 70.98 H +ATOM 1282 HB1 ALA A 969 2.753 -18.215 4.264 1.00 72.54 H +ATOM 1283 HB2 ALA A 969 1.072 -18.482 3.826 1.00 72.54 H +ATOM 1284 HB3 ALA A 969 2.317 -18.490 2.579 1.00 72.54 H +ATOM 1285 N GLY A 970 3.455 -15.723 1.668 1.00 69.45 N +ATOM 1286 CA GLY A 970 4.486 -14.840 1.127 1.00 69.02 C +ATOM 1287 C GLY A 970 3.895 -13.429 0.997 1.00 72.14 C +ATOM 1288 O GLY A 970 2.682 -13.266 0.899 1.00 71.87 O +ATOM 1289 H GLY A 970 2.832 -16.144 0.993 1.00 69.45 H +ATOM 1290 HA3 GLY A 970 4.784 -15.198 0.141 1.00 69.02 H +ATOM 1291 HA2 GLY A 970 5.374 -14.835 1.761 1.00 69.02 H +ATOM 1292 N ALA A 971 4.753 -12.396 1.021 1.00 67.87 N +ATOM 1293 CA ALA A 971 4.399 -10.968 0.975 1.00 66.36 C +ATOM 1294 C ALA A 971 3.642 -10.423 2.209 1.00 68.68 C +ATOM 1295 O ALA A 971 3.602 -9.204 2.353 1.00 67.93 O +ATOM 1296 CB ALA A 971 3.635 -10.620 -0.324 1.00 65.39 C +ATOM 1297 H ALA A 971 5.740 -12.592 1.108 1.00 67.87 H +ATOM 1298 HA ALA A 971 5.351 -10.437 0.943 1.00 66.36 H +ATOM 1299 HB1 ALA A 971 3.520 -9.542 -0.439 1.00 65.39 H +ATOM 1300 HB2 ALA A 971 4.163 -10.985 -1.204 1.00 65.39 H +ATOM 1301 HB3 ALA A 971 2.631 -11.045 -0.345 1.00 65.39 H +ATOM 1302 N ALA A 972 3.071 -11.293 3.066 1.00 64.62 N +ATOM 1303 CA ALA A 972 2.294 -10.981 4.274 1.00 64.42 C +ATOM 1304 C ALA A 972 1.103 -10.047 3.984 1.00 65.37 C +ATOM 1305 O ALA A 972 1.060 -8.921 4.484 1.00 65.17 O +ATOM 1306 CB ALA A 972 3.227 -10.442 5.377 1.00 66.93 C +ATOM 1307 H ALA A 972 3.134 -12.278 2.848 1.00 64.62 H +ATOM 1308 HA ALA A 972 1.876 -11.926 4.624 1.00 64.42 H +ATOM 1309 HB1 ALA A 972 2.682 -10.275 6.307 1.00 66.93 H +ATOM 1310 HB2 ALA A 972 4.025 -11.154 5.594 1.00 66.93 H +ATOM 1311 HB3 ALA A 972 3.695 -9.499 5.094 1.00 66.93 H +ATOM 1312 N SER A 973 0.184 -10.522 3.129 1.00 59.44 N +ATOM 1313 CA SER A 973 -0.932 -9.741 2.593 1.00 57.90 C +ATOM 1314 C SER A 973 -2.075 -10.655 2.119 1.00 59.01 C +ATOM 1315 O SER A 973 -1.921 -11.876 2.086 1.00 59.49 O +ATOM 1316 CB SER A 973 -0.403 -8.798 1.481 1.00 60.76 C +ATOM 1317 OG SER A 973 0.026 -9.508 0.334 1.00 68.97 O +ATOM 1318 H SER A 973 0.267 -11.466 2.774 1.00 59.44 H +ATOM 1319 HA SER A 973 -1.339 -9.130 3.402 1.00 57.90 H +ATOM 1320 HB3 SER A 973 0.421 -8.183 1.842 1.00 60.76 H +ATOM 1321 HB2 SER A 973 -1.186 -8.105 1.171 1.00 60.76 H +ATOM 1322 HG SER A 973 0.794 -10.035 0.572 1.00 68.97 H +ATOM 1323 N LEU A 974 -3.205 -10.033 1.747 1.00 52.28 N +ATOM 1324 CA LEU A 974 -4.302 -10.697 1.044 1.00 50.34 C +ATOM 1325 C LEU A 974 -4.106 -10.533 -0.466 1.00 50.70 C +ATOM 1326 O LEU A 974 -3.776 -9.438 -0.918 1.00 49.90 O +ATOM 1327 CB LEU A 974 -5.652 -10.057 1.444 1.00 50.33 C +ATOM 1328 CG LEU A 974 -6.133 -10.385 2.872 1.00 55.89 C +ATOM 1329 CD1 LEU A 974 -7.390 -9.560 3.225 1.00 55.99 C +ATOM 1330 CD2 LEU A 974 -6.349 -11.900 3.087 1.00 57.89 C +ATOM 1331 H LEU A 974 -3.270 -9.028 1.815 1.00 52.28 H +ATOM 1332 HA LEU A 974 -4.317 -11.761 1.282 1.00 50.34 H +ATOM 1333 HB3 LEU A 974 -6.429 -10.378 0.746 1.00 50.33 H +ATOM 1334 HB2 LEU A 974 -5.580 -8.974 1.322 1.00 50.33 H +ATOM 1335 HG LEU A 974 -5.348 -10.068 3.560 1.00 55.89 H +ATOM 1336 HD11 LEU A 974 -7.239 -9.004 4.151 1.00 55.99 H +ATOM 1337 HD12 LEU A 974 -7.635 -8.832 2.451 1.00 55.99 H +ATOM 1338 HD13 LEU A 974 -8.277 -10.179 3.359 1.00 55.99 H +ATOM 1339 HD21 LEU A 974 -7.274 -12.124 3.617 1.00 57.89 H +ATOM 1340 HD22 LEU A 974 -6.384 -12.447 2.144 1.00 57.89 H +ATOM 1341 HD23 LEU A 974 -5.535 -12.324 3.676 1.00 57.89 H +ATOM 1342 N GLN A 975 -4.395 -11.603 -1.216 1.00 44.54 N +ATOM 1343 CA GLN A 975 -4.655 -11.549 -2.651 1.00 42.17 C +ATOM 1344 C GLN A 975 -6.158 -11.329 -2.878 1.00 43.56 C +ATOM 1345 O GLN A 975 -6.971 -11.919 -2.168 1.00 42.93 O +ATOM 1346 CB GLN A 975 -4.191 -12.855 -3.311 1.00 43.83 C +ATOM 1347 CG GLN A 975 -2.665 -12.973 -3.441 1.00 59.19 C +ATOM 1348 CD GLN A 975 -2.252 -14.354 -3.950 1.00 77.91 C +ATOM 1349 OE1 GLN A 975 -1.888 -14.512 -5.113 1.00 74.64 O +ATOM 1350 NE2 GLN A 975 -2.324 -15.365 -3.082 1.00 71.32 N +ATOM 1351 H GLN A 975 -4.643 -12.473 -0.760 1.00 44.54 H +ATOM 1352 HA GLN A 975 -4.101 -10.725 -3.104 1.00 42.17 H +ATOM 1353 HB3 GLN A 975 -4.625 -12.926 -4.306 1.00 43.83 H +ATOM 1354 HB2 GLN A 975 -4.582 -13.695 -2.742 1.00 43.83 H +ATOM 1355 HG3 GLN A 975 -2.186 -12.784 -2.484 1.00 59.19 H +ATOM 1356 HG2 GLN A 975 -2.291 -12.209 -4.121 1.00 59.19 H +ATOM 1357 HE22 GLN A 975 -2.096 -16.302 -3.374 1.00 71.32 H +ATOM 1358 HE21 GLN A 975 -2.627 -15.202 -2.132 1.00 71.32 H +ATOM 1359 N LEU A 976 -6.488 -10.492 -3.868 1.00 37.72 N +ATOM 1360 CA LEU A 976 -7.847 -10.131 -4.255 1.00 36.76 C +ATOM 1361 C LEU A 976 -8.327 -11.093 -5.350 1.00 38.66 C +ATOM 1362 O LEU A 976 -7.956 -10.919 -6.512 1.00 37.25 O +ATOM 1363 CB LEU A 976 -7.819 -8.656 -4.717 1.00 36.56 C +ATOM 1364 CG LEU A 976 -9.143 -8.055 -5.237 1.00 41.61 C +ATOM 1365 CD1 LEU A 976 -10.288 -8.184 -4.216 1.00 43.42 C +ATOM 1366 CD2 LEU A 976 -8.926 -6.598 -5.699 1.00 42.85 C +ATOM 1367 H LEU A 976 -5.752 -10.099 -4.441 1.00 37.72 H +ATOM 1368 HA LEU A 976 -8.510 -10.216 -3.392 1.00 36.76 H +ATOM 1369 HB3 LEU A 976 -7.085 -8.565 -5.513 1.00 36.56 H +ATOM 1370 HB2 LEU A 976 -7.445 -8.039 -3.900 1.00 36.56 H +ATOM 1371 HG LEU A 976 -9.442 -8.613 -6.124 1.00 41.61 H +ATOM 1372 HD11 LEU A 976 -10.930 -7.303 -4.187 1.00 43.42 H +ATOM 1373 HD12 LEU A 976 -10.920 -9.035 -4.469 1.00 43.42 H +ATOM 1374 HD13 LEU A 976 -9.917 -8.343 -3.204 1.00 43.42 H +ATOM 1375 HD21 LEU A 976 -9.526 -5.885 -5.134 1.00 42.85 H +ATOM 1376 HD22 LEU A 976 -7.888 -6.282 -5.594 1.00 42.85 H +ATOM 1377 HD23 LEU A 976 -9.185 -6.482 -6.752 1.00 42.85 H +ATOM 1378 N VAL A 977 -9.134 -12.091 -4.958 1.00 35.03 N +ATOM 1379 CA VAL A 977 -9.722 -13.059 -5.882 1.00 34.91 C +ATOM 1380 C VAL A 977 -10.993 -12.447 -6.502 1.00 38.85 C +ATOM 1381 O VAL A 977 -11.896 -12.025 -5.778 1.00 39.08 O +ATOM 1382 CB VAL A 977 -10.085 -14.406 -5.191 1.00 39.71 C +ATOM 1383 CG1 VAL A 977 -10.564 -15.484 -6.188 1.00 39.45 C +ATOM 1384 CG2 VAL A 977 -8.900 -14.967 -4.381 1.00 39.89 C +ATOM 1385 H VAL A 977 -9.424 -12.162 -3.993 1.00 35.03 H +ATOM 1386 HA VAL A 977 -9.005 -13.279 -6.676 1.00 34.91 H +ATOM 1387 HB VAL A 977 -10.902 -14.237 -4.489 1.00 39.71 H +ATOM 1388 HG11 VAL A 977 -10.841 -16.401 -5.668 1.00 39.45 H +ATOM 1389 HG12 VAL A 977 -11.429 -15.174 -6.770 1.00 39.45 H +ATOM 1390 HG13 VAL A 977 -9.779 -15.739 -6.898 1.00 39.45 H +ATOM 1391 HG21 VAL A 977 -9.153 -15.924 -3.927 1.00 39.89 H +ATOM 1392 HG22 VAL A 977 -8.024 -15.122 -5.011 1.00 39.89 H +ATOM 1393 HG23 VAL A 977 -8.610 -14.298 -3.573 1.00 39.89 H +ATOM 1394 N MET A 978 -11.015 -12.404 -7.839 1.00 34.03 N +ATOM 1395 CA MET A 978 -12.113 -11.896 -8.660 1.00 34.32 C +ATOM 1396 C MET A 978 -12.538 -12.993 -9.643 1.00 36.69 C +ATOM 1397 O MET A 978 -11.818 -13.978 -9.822 1.00 35.63 O +ATOM 1398 CB MET A 978 -11.644 -10.647 -9.443 1.00 36.81 C +ATOM 1399 CG MET A 978 -10.999 -9.544 -8.586 1.00 41.50 C +ATOM 1400 SD MET A 978 -10.358 -8.128 -9.522 1.00 45.78 S +ATOM 1401 CE MET A 978 -8.942 -8.902 -10.352 1.00 42.96 C +ATOM 1402 H MET A 978 -10.221 -12.753 -8.360 1.00 34.03 H +ATOM 1403 HA MET A 978 -12.972 -11.635 -8.040 1.00 34.32 H +ATOM 1404 HB3 MET A 978 -12.500 -10.218 -9.964 1.00 36.81 H +ATOM 1405 HB2 MET A 978 -10.949 -10.945 -10.226 1.00 36.81 H +ATOM 1406 HG3 MET A 978 -10.167 -9.942 -8.007 1.00 41.50 H +ATOM 1407 HG2 MET A 978 -11.729 -9.178 -7.865 1.00 41.50 H +ATOM 1408 HE1 MET A 978 -8.326 -8.141 -10.832 1.00 42.96 H +ATOM 1409 HE2 MET A 978 -8.328 -9.444 -9.634 1.00 42.96 H +ATOM 1410 HE3 MET A 978 -9.276 -9.600 -11.120 1.00 42.96 H +ATOM 1411 N GLU A 979 -13.692 -12.793 -10.297 1.00 33.63 N +ATOM 1412 CA GLU A 979 -14.132 -13.639 -11.407 1.00 33.95 C +ATOM 1413 C GLU A 979 -13.224 -13.450 -12.637 1.00 35.56 C +ATOM 1414 O GLU A 979 -12.741 -12.343 -12.884 1.00 32.73 O +ATOM 1415 CB GLU A 979 -15.611 -13.341 -11.735 1.00 36.17 C +ATOM 1416 CG GLU A 979 -15.895 -11.927 -12.301 1.00 42.68 C +ATOM 1417 CD GLU A 979 -17.362 -11.631 -12.644 1.00 58.73 C +ATOM 1418 OE1 GLU A 979 -18.206 -12.554 -12.607 1.00 57.48 O +ATOM 1419 OE2 GLU A 979 -17.624 -10.444 -12.930 1.00 43.43 O1- +ATOM 1420 H GLU A 979 -14.250 -11.971 -10.107 1.00 33.63 H +ATOM 1421 HA GLU A 979 -14.064 -14.680 -11.082 1.00 33.95 H +ATOM 1422 HB3 GLU A 979 -16.208 -13.495 -10.835 1.00 36.17 H +ATOM 1423 HB2 GLU A 979 -15.958 -14.090 -12.449 1.00 36.17 H +ATOM 1424 HG3 GLU A 979 -15.329 -11.770 -13.218 1.00 42.68 H +ATOM 1425 HG2 GLU A 979 -15.547 -11.175 -11.591 1.00 42.68 H +ATOM 1426 N TYR A 980 -13.046 -14.537 -13.401 1.00 33.04 N +ATOM 1427 CA TYR A 980 -12.435 -14.501 -14.725 1.00 34.05 C +ATOM 1428 C TYR A 980 -13.483 -14.026 -15.745 1.00 39.90 C +ATOM 1429 O TYR A 980 -14.472 -14.726 -15.958 1.00 41.17 O +ATOM 1430 CB TYR A 980 -11.868 -15.895 -15.054 1.00 36.60 C +ATOM 1431 CG TYR A 980 -11.332 -16.062 -16.464 1.00 38.89 C +ATOM 1432 CD1 TYR A 980 -10.181 -15.355 -16.870 1.00 40.20 C +ATOM 1433 CD2 TYR A 980 -11.982 -16.925 -17.372 1.00 40.57 C +ATOM 1434 CE1 TYR A 980 -9.674 -15.525 -18.172 1.00 41.79 C +ATOM 1435 CE2 TYR A 980 -11.480 -17.085 -18.677 1.00 41.35 C +ATOM 1436 CZ TYR A 980 -10.325 -16.386 -19.077 1.00 46.65 C +ATOM 1437 OH TYR A 980 -9.838 -16.543 -20.341 1.00 46.21 O +ATOM 1438 H TYR A 980 -13.471 -15.414 -13.135 1.00 33.04 H +ATOM 1439 HA TYR A 980 -11.599 -13.798 -14.714 1.00 34.05 H +ATOM 1440 HB3 TYR A 980 -12.642 -16.648 -14.893 1.00 36.60 H +ATOM 1441 HB2 TYR A 980 -11.066 -16.137 -14.355 1.00 36.60 H +ATOM 1442 HD1 TYR A 980 -9.678 -14.693 -16.181 1.00 40.20 H +ATOM 1443 HD2 TYR A 980 -12.868 -17.466 -17.073 1.00 40.57 H +ATOM 1444 HE1 TYR A 980 -8.783 -14.995 -18.472 1.00 41.79 H +ATOM 1445 HE2 TYR A 980 -11.986 -17.745 -19.366 1.00 41.35 H +ATOM 1446 HH TYR A 980 -10.419 -17.063 -20.902 1.00 46.21 H +ATOM 1447 N VAL A 981 -13.243 -12.844 -16.331 1.00 35.70 N +ATOM 1448 CA VAL A 981 -14.105 -12.203 -17.322 1.00 35.13 C +ATOM 1449 C VAL A 981 -13.580 -12.610 -18.729 1.00 39.95 C +ATOM 1450 O VAL A 981 -12.511 -12.123 -19.104 1.00 40.49 O +ATOM 1451 CB VAL A 981 -14.061 -10.658 -17.131 1.00 37.53 C +ATOM 1452 CG1 VAL A 981 -14.865 -9.900 -18.194 1.00 37.76 C +ATOM 1453 CG2 VAL A 981 -14.577 -10.251 -15.736 1.00 36.89 C +ATOM 1454 H VAL A 981 -12.403 -12.336 -16.094 1.00 35.70 H +ATOM 1455 HA VAL A 981 -15.141 -12.487 -17.157 1.00 35.13 H +ATOM 1456 HB VAL A 981 -13.027 -10.316 -17.194 1.00 37.53 H +ATOM 1457 HG11 VAL A 981 -15.030 -8.860 -17.916 1.00 37.76 H +ATOM 1458 HG12 VAL A 981 -14.337 -9.900 -19.144 1.00 37.76 H +ATOM 1459 HG13 VAL A 981 -15.848 -10.347 -18.332 1.00 37.76 H +ATOM 1460 HG21 VAL A 981 -14.545 -9.169 -15.601 1.00 36.89 H +ATOM 1461 HG22 VAL A 981 -15.608 -10.571 -15.585 1.00 36.89 H +ATOM 1462 HG23 VAL A 981 -13.974 -10.689 -14.942 1.00 36.89 H +ATOM 1463 N PRO A 982 -14.241 -13.581 -19.416 1.00 37.29 N +ATOM 1464 CA PRO A 982 -13.592 -14.428 -20.446 1.00 36.67 C +ATOM 1465 C PRO A 982 -12.871 -13.788 -21.645 1.00 38.06 C +ATOM 1466 O PRO A 982 -11.842 -14.330 -22.047 1.00 37.41 O +ATOM 1467 CB PRO A 982 -14.705 -15.369 -20.926 1.00 39.18 C +ATOM 1468 CG PRO A 982 -15.606 -15.513 -19.720 1.00 44.96 C +ATOM 1469 CD PRO A 982 -15.576 -14.120 -19.111 1.00 40.09 C +ATOM 1470 HA PRO A 982 -12.855 -15.022 -19.904 1.00 36.67 H +ATOM 1471 HB3 PRO A 982 -14.326 -16.330 -21.276 1.00 39.18 H +ATOM 1472 HB2 PRO A 982 -15.269 -14.915 -21.745 1.00 39.18 H +ATOM 1473 HG3 PRO A 982 -15.167 -16.226 -19.021 1.00 44.96 H +ATOM 1474 HG2 PRO A 982 -16.612 -15.855 -19.966 1.00 44.96 H +ATOM 1475 HD2 PRO A 982 -16.322 -13.488 -19.589 1.00 40.09 H +ATOM 1476 HD3 PRO A 982 -15.833 -14.200 -18.058 1.00 40.09 H +ATOM 1477 N LEU A 983 -13.410 -12.695 -22.212 1.00 33.36 N +ATOM 1478 CA LEU A 983 -12.867 -12.076 -23.431 1.00 31.91 C +ATOM 1479 C LEU A 983 -11.838 -10.960 -23.155 1.00 34.62 C +ATOM 1480 O LEU A 983 -11.266 -10.441 -24.114 1.00 34.03 O +ATOM 1481 CB LEU A 983 -14.023 -11.600 -24.346 1.00 31.79 C +ATOM 1482 CG LEU A 983 -14.935 -12.735 -24.868 1.00 36.75 C +ATOM 1483 CD1 LEU A 983 -16.149 -12.165 -25.617 1.00 37.07 C +ATOM 1484 CD2 LEU A 983 -14.182 -13.760 -25.739 1.00 39.07 C +ATOM 1485 H LEU A 983 -14.253 -12.283 -21.835 1.00 33.36 H +ATOM 1486 HA LEU A 983 -12.308 -12.827 -23.990 1.00 31.91 H +ATOM 1487 HB3 LEU A 983 -13.617 -11.066 -25.205 1.00 31.79 H +ATOM 1488 HB2 LEU A 983 -14.631 -10.871 -23.818 1.00 31.79 H +ATOM 1489 HG LEU A 983 -15.336 -13.264 -24.002 1.00 36.75 H +ATOM 1490 HD11 LEU A 983 -16.944 -12.908 -25.684 1.00 37.07 H +ATOM 1491 HD12 LEU A 983 -16.559 -11.295 -25.106 1.00 37.07 H +ATOM 1492 HD13 LEU A 983 -15.890 -11.865 -26.633 1.00 37.07 H +ATOM 1493 HD21 LEU A 983 -14.730 -14.004 -26.649 1.00 39.07 H +ATOM 1494 HD22 LEU A 983 -13.202 -13.396 -26.048 1.00 39.07 H +ATOM 1495 HD23 LEU A 983 -14.030 -14.692 -25.194 1.00 39.07 H +ATOM 1496 N GLY A 984 -11.577 -10.645 -21.872 1.00 30.54 N +ATOM 1497 CA GLY A 984 -10.542 -9.702 -21.438 1.00 29.44 C +ATOM 1498 C GLY A 984 -10.893 -8.247 -21.772 1.00 30.46 C +ATOM 1499 O GLY A 984 -12.035 -7.935 -22.104 1.00 29.51 O +ATOM 1500 H GLY A 984 -12.090 -11.120 -21.142 1.00 30.54 H +ATOM 1501 HA3 GLY A 984 -9.590 -9.962 -21.901 1.00 29.44 H +ATOM 1502 HA2 GLY A 984 -10.415 -9.792 -20.359 1.00 29.44 H +ATOM 1503 N SER A 985 -9.900 -7.349 -21.647 1.00 25.72 N +ATOM 1504 CA SER A 985 -10.058 -5.906 -21.855 1.00 25.55 C +ATOM 1505 C SER A 985 -10.449 -5.533 -23.295 1.00 28.85 C +ATOM 1506 O SER A 985 -10.017 -6.199 -24.235 1.00 26.31 O +ATOM 1507 CB SER A 985 -8.804 -5.158 -21.361 1.00 29.24 C +ATOM 1508 OG SER A 985 -7.724 -5.184 -22.273 1.00 35.45 O +ATOM 1509 H SER A 985 -8.976 -7.668 -21.385 1.00 25.72 H +ATOM 1510 HA SER A 985 -10.867 -5.593 -21.205 1.00 25.55 H +ATOM 1511 HB3 SER A 985 -8.479 -5.544 -20.395 1.00 29.24 H +ATOM 1512 HB2 SER A 985 -9.060 -4.111 -21.202 1.00 29.24 H +ATOM 1513 HG SER A 985 -7.369 -6.078 -22.315 1.00 35.45 H +ATOM 1514 N LEU A 986 -11.219 -4.440 -23.432 1.00 27.52 N +ATOM 1515 CA LEU A 986 -11.584 -3.835 -24.717 1.00 27.90 C +ATOM 1516 C LEU A 986 -10.369 -3.303 -25.499 1.00 31.20 C +ATOM 1517 O LEU A 986 -10.426 -3.281 -26.727 1.00 30.54 O +ATOM 1518 CB LEU A 986 -12.621 -2.712 -24.492 1.00 27.75 C +ATOM 1519 CG LEU A 986 -14.045 -3.208 -24.157 1.00 32.92 C +ATOM 1520 CD1 LEU A 986 -14.956 -2.019 -23.808 1.00 33.36 C +ATOM 1521 CD2 LEU A 986 -14.667 -4.058 -25.284 1.00 36.70 C +ATOM 1522 H LEU A 986 -11.542 -3.953 -22.605 1.00 27.52 H +ATOM 1523 HA LEU A 986 -12.030 -4.614 -25.334 1.00 27.90 H +ATOM 1524 HB3 LEU A 986 -12.688 -2.084 -25.381 1.00 27.75 H +ATOM 1525 HB2 LEU A 986 -12.263 -2.052 -23.700 1.00 27.75 H +ATOM 1526 HG LEU A 986 -13.980 -3.829 -23.262 1.00 32.92 H +ATOM 1527 HD11 LEU A 986 -15.724 -2.314 -23.100 1.00 33.36 H +ATOM 1528 HD12 LEU A 986 -14.399 -1.202 -23.350 1.00 33.36 H +ATOM 1529 HD13 LEU A 986 -15.463 -1.625 -24.690 1.00 33.36 H +ATOM 1530 HD21 LEU A 986 -15.731 -3.859 -25.406 1.00 36.70 H +ATOM 1531 HD22 LEU A 986 -14.192 -3.868 -26.245 1.00 36.70 H +ATOM 1532 HD23 LEU A 986 -14.561 -5.121 -25.075 1.00 36.70 H +ATOM 1533 N ARG A 987 -9.286 -2.929 -24.793 1.00 29.06 N +ATOM 1534 CA ARG A 987 -8.017 -2.516 -25.394 1.00 29.96 C +ATOM 1535 C ARG A 987 -7.291 -3.652 -26.137 1.00 34.81 C +ATOM 1536 O ARG A 987 -6.680 -3.387 -27.172 1.00 34.10 O +ATOM 1537 CB ARG A 987 -7.130 -1.836 -24.336 1.00 32.11 C +ATOM 1538 CG ARG A 987 -5.888 -1.139 -24.920 1.00 46.98 C +ATOM 1539 CD ARG A 987 -5.085 -0.392 -23.849 1.00 59.29 C +ATOM 1540 NE ARG A 987 -3.827 0.162 -24.375 1.00 65.62 N +ATOM 1541 CZ ARG A 987 -2.647 -0.473 -24.496 1.00 80.85 C +ATOM 1542 NH1 ARG A 987 -1.601 0.204 -24.984 1.00 71.30 N +ATOM 1543 NH2 ARG A 987 -2.483 -1.757 -24.139 1.00 64.23 N1+ +ATOM 1544 H ARG A 987 -9.312 -2.973 -23.784 1.00 29.06 H +ATOM 1545 HA ARG A 987 -8.262 -1.763 -26.133 1.00 29.96 H +ATOM 1546 HB3 ARG A 987 -6.823 -2.568 -23.588 1.00 32.11 H +ATOM 1547 HB2 ARG A 987 -7.722 -1.088 -23.808 1.00 32.11 H +ATOM 1548 HG3 ARG A 987 -6.268 -0.398 -25.626 1.00 46.98 H +ATOM 1549 HG2 ARG A 987 -5.251 -1.807 -25.500 1.00 46.98 H +ATOM 1550 HD3 ARG A 987 -4.953 -0.979 -22.940 1.00 59.29 H +ATOM 1551 HD2 ARG A 987 -5.653 0.492 -23.566 1.00 59.29 H +ATOM 1552 HE ARG A 987 -3.886 1.115 -24.706 1.00 65.62 H +ATOM 1553 HH12 ARG A 987 -0.701 -0.246 -25.082 1.00 71.30 H +ATOM 1554 HH11 ARG A 987 -1.705 1.173 -25.259 1.00 71.30 H +ATOM 1555 HH22 ARG A 987 -1.576 -2.198 -24.220 1.00 64.23 H +ATOM 1556 HH21 ARG A 987 -3.272 -2.303 -23.824 1.00 64.23 H +ATOM 1557 N ASP A 988 -7.393 -4.883 -25.612 1.00 32.33 N +ATOM 1558 CA ASP A 988 -6.818 -6.091 -26.208 1.00 32.03 C +ATOM 1559 C ASP A 988 -7.773 -6.753 -27.216 1.00 34.79 C +ATOM 1560 O ASP A 988 -7.292 -7.360 -28.172 1.00 33.45 O +ATOM 1561 CB ASP A 988 -6.383 -7.129 -25.141 1.00 34.09 C +ATOM 1562 CG ASP A 988 -5.386 -6.633 -24.076 1.00 50.64 C +ATOM 1563 OD1 ASP A 988 -4.621 -5.682 -24.352 1.00 52.94 O +ATOM 1564 OD2 ASP A 988 -5.324 -7.306 -23.023 1.00 55.56 O1- +ATOM 1565 H ASP A 988 -7.905 -5.013 -24.750 1.00 32.33 H +ATOM 1566 HA ASP A 988 -5.926 -5.807 -26.770 1.00 32.03 H +ATOM 1567 HB3 ASP A 988 -5.929 -7.992 -25.631 1.00 34.09 H +ATOM 1568 HB2 ASP A 988 -7.271 -7.493 -24.620 1.00 34.09 H +ATOM 1569 N TYR A 989 -9.092 -6.640 -26.993 1.00 30.87 N +ATOM 1570 CA TYR A 989 -10.115 -7.301 -27.799 1.00 30.93 C +ATOM 1571 C TYR A 989 -10.388 -6.577 -29.130 1.00 31.61 C +ATOM 1572 O TYR A 989 -10.312 -7.223 -30.174 1.00 30.88 O +ATOM 1573 CB TYR A 989 -11.391 -7.498 -26.954 1.00 32.58 C +ATOM 1574 CG TYR A 989 -12.492 -8.296 -27.630 1.00 35.88 C +ATOM 1575 CD1 TYR A 989 -12.518 -9.702 -27.516 1.00 38.76 C +ATOM 1576 CD2 TYR A 989 -13.493 -7.638 -28.372 1.00 37.33 C +ATOM 1577 CE1 TYR A 989 -13.542 -10.443 -28.137 1.00 41.81 C +ATOM 1578 CE2 TYR A 989 -14.514 -8.378 -28.996 1.00 39.43 C +ATOM 1579 CZ TYR A 989 -14.541 -9.782 -28.878 1.00 47.08 C +ATOM 1580 OH TYR A 989 -15.532 -10.501 -29.479 1.00 54.57 O +ATOM 1581 H TYR A 989 -9.417 -6.150 -26.170 1.00 30.87 H +ATOM 1582 HA TYR A 989 -9.748 -8.300 -28.046 1.00 30.93 H +ATOM 1583 HB3 TYR A 989 -11.794 -6.531 -26.652 1.00 32.58 H +ATOM 1584 HB2 TYR A 989 -11.134 -8.012 -26.026 1.00 32.58 H +ATOM 1585 HD1 TYR A 989 -11.755 -10.216 -26.949 1.00 38.76 H +ATOM 1586 HD2 TYR A 989 -13.476 -6.563 -28.464 1.00 37.33 H +ATOM 1587 HE1 TYR A 989 -13.559 -11.519 -28.045 1.00 41.81 H +ATOM 1588 HE2 TYR A 989 -15.272 -7.863 -29.563 1.00 39.43 H +ATOM 1589 HH TYR A 989 -16.158 -9.956 -29.961 1.00 54.57 H +ATOM 1590 N LEU A 990 -10.706 -5.269 -29.079 1.00 26.64 N +ATOM 1591 CA LEU A 990 -11.169 -4.493 -30.238 1.00 26.55 C +ATOM 1592 C LEU A 990 -10.208 -4.338 -31.443 1.00 32.26 C +ATOM 1593 O LEU A 990 -10.730 -4.254 -32.554 1.00 32.40 O +ATOM 1594 CB LEU A 990 -11.721 -3.111 -29.816 1.00 25.29 C +ATOM 1595 CG LEU A 990 -12.967 -3.137 -28.906 1.00 28.64 C +ATOM 1596 CD1 LEU A 990 -13.282 -1.724 -28.386 1.00 28.39 C +ATOM 1597 CD2 LEU A 990 -14.197 -3.752 -29.604 1.00 27.70 C +ATOM 1598 H LEU A 990 -10.708 -4.785 -28.191 1.00 26.64 H +ATOM 1599 HA LEU A 990 -12.009 -5.067 -30.634 1.00 26.55 H +ATOM 1600 HB3 LEU A 990 -11.971 -2.532 -30.706 1.00 25.29 H +ATOM 1601 HB2 LEU A 990 -10.926 -2.554 -29.318 1.00 25.29 H +ATOM 1602 HG LEU A 990 -12.740 -3.756 -28.038 1.00 28.64 H +ATOM 1603 HD11 LEU A 990 -14.289 -1.658 -27.974 1.00 28.39 H +ATOM 1604 HD12 LEU A 990 -12.591 -1.441 -27.593 1.00 28.39 H +ATOM 1605 HD13 LEU A 990 -13.197 -0.978 -29.176 1.00 28.39 H +ATOM 1606 HD21 LEU A 990 -15.056 -3.083 -29.591 1.00 27.70 H +ATOM 1607 HD22 LEU A 990 -14.006 -3.989 -30.651 1.00 27.70 H +ATOM 1608 HD23 LEU A 990 -14.506 -4.670 -29.108 1.00 27.70 H +ATOM 1609 N PRO A 991 -8.862 -4.368 -31.272 1.00 29.17 N +ATOM 1610 CA PRO A 991 -7.934 -4.390 -32.422 1.00 30.32 C +ATOM 1611 C PRO A 991 -7.982 -5.660 -33.292 1.00 37.04 C +ATOM 1612 O PRO A 991 -7.685 -5.568 -34.482 1.00 39.83 O +ATOM 1613 CB PRO A 991 -6.545 -4.175 -31.796 1.00 31.53 C +ATOM 1614 CG PRO A 991 -6.828 -3.468 -30.483 1.00 34.07 C +ATOM 1615 CD PRO A 991 -8.127 -4.120 -30.032 1.00 29.12 C +ATOM 1616 HA PRO A 991 -8.172 -3.530 -33.048 1.00 30.32 H +ATOM 1617 HB3 PRO A 991 -5.880 -3.597 -32.438 1.00 31.53 H +ATOM 1618 HB2 PRO A 991 -6.059 -5.130 -31.592 1.00 31.53 H +ATOM 1619 HG3 PRO A 991 -6.998 -2.407 -30.671 1.00 34.07 H +ATOM 1620 HG2 PRO A 991 -6.017 -3.559 -29.761 1.00 34.07 H +ATOM 1621 HD2 PRO A 991 -7.914 -5.074 -29.554 1.00 29.12 H +ATOM 1622 HD3 PRO A 991 -8.663 -3.490 -29.323 1.00 29.12 H +ATOM 1623 N ARG A 992 -8.364 -6.801 -32.693 1.00 33.12 N +ATOM 1624 CA ARG A 992 -8.473 -8.101 -33.362 1.00 35.22 C +ATOM 1625 C ARG A 992 -9.923 -8.477 -33.721 1.00 42.35 C +ATOM 1626 O ARG A 992 -10.101 -9.442 -34.464 1.00 43.35 O +ATOM 1627 CB ARG A 992 -7.847 -9.181 -32.452 1.00 36.79 C +ATOM 1628 CG ARG A 992 -6.321 -9.042 -32.266 1.00 49.00 C +ATOM 1629 CD ARG A 992 -5.895 -8.581 -30.862 1.00 65.39 C +ATOM 1630 NE ARG A 992 -4.429 -8.630 -30.709 1.00 83.52 N +ATOM 1631 CZ ARG A 992 -3.697 -8.245 -29.646 1.00101.34 C +ATOM 1632 NH1 ARG A 992 -4.252 -7.730 -28.539 1.00 87.97 N +ATOM 1633 NH2 ARG A 992 -2.366 -8.382 -29.694 1.00 90.05 N1+ +ATOM 1634 H ARG A 992 -8.610 -6.788 -31.713 1.00 33.12 H +ATOM 1635 HA ARG A 992 -7.920 -8.089 -34.303 1.00 35.22 H +ATOM 1636 HB3 ARG A 992 -8.028 -10.163 -32.891 1.00 36.79 H +ATOM 1637 HB2 ARG A 992 -8.353 -9.200 -31.486 1.00 36.79 H +ATOM 1638 HG3 ARG A 992 -5.962 -8.307 -32.988 1.00 49.00 H +ATOM 1639 HG2 ARG A 992 -5.815 -9.970 -32.534 1.00 49.00 H +ATOM 1640 HD3 ARG A 992 -6.407 -9.141 -30.079 1.00 65.39 H +ATOM 1641 HD2 ARG A 992 -6.177 -7.534 -30.743 1.00 65.39 H +ATOM 1642 HE ARG A 992 -3.934 -9.003 -31.505 1.00 83.52 H +ATOM 1643 HH12 ARG A 992 -3.684 -7.448 -27.753 1.00 87.97 H +ATOM 1644 HH11 ARG A 992 -5.259 -7.626 -28.485 1.00 87.97 H +ATOM 1645 HH22 ARG A 992 -1.795 -8.104 -28.909 1.00 90.05 H +ATOM 1646 HH21 ARG A 992 -1.920 -8.767 -30.514 1.00 90.05 H +ATOM 1647 N HIS A 993 -10.920 -7.742 -33.199 1.00 39.31 N +ATOM 1648 CA HIS A 993 -12.343 -8.029 -33.380 1.00 40.02 C +ATOM 1649 C HIS A 993 -13.064 -6.735 -33.771 1.00 44.39 C +ATOM 1650 O HIS A 993 -13.235 -5.856 -32.926 1.00 42.90 O +ATOM 1651 CB HIS A 993 -12.933 -8.636 -32.087 1.00 40.24 C +ATOM 1652 CG HIS A 993 -12.280 -9.913 -31.615 1.00 43.95 C +ATOM 1653 ND1 HIS A 993 -11.178 -9.921 -30.777 1.00 44.82 N +ATOM 1654 CD2 HIS A 993 -12.584 -11.239 -31.832 1.00 46.86 C +ATOM 1655 CE1 HIS A 993 -10.862 -11.196 -30.543 1.00 45.15 C +ATOM 1656 NE2 HIS A 993 -11.674 -12.053 -31.151 1.00 46.64 N +ATOM 1657 H HIS A 993 -10.700 -6.953 -32.607 1.00 39.31 H +ATOM 1658 HA HIS A 993 -12.488 -8.755 -34.182 1.00 40.02 H +ATOM 1659 HB3 HIS A 993 -13.998 -8.834 -32.223 1.00 40.24 H +ATOM 1660 HB2 HIS A 993 -12.864 -7.911 -31.275 1.00 40.24 H +ATOM 1661 HD1 HIS A 993 -10.706 -9.101 -30.417 1.00 44.82 H +ATOM 1662 HD2 HIS A 993 -13.381 -11.668 -32.421 1.00 46.86 H +ATOM 1663 HE1 HIS A 993 -10.035 -11.499 -29.918 1.00 45.15 H +ATOM 1664 N SER A 994 -13.470 -6.644 -35.048 1.00 43.61 N +ATOM 1665 CA SER A 994 -14.209 -5.516 -35.617 1.00 44.09 C +ATOM 1666 C SER A 994 -15.687 -5.527 -35.171 1.00 48.55 C +ATOM 1667 O SER A 994 -16.525 -6.165 -35.809 1.00 49.91 O +ATOM 1668 CB SER A 994 -14.007 -5.502 -37.150 1.00 50.40 C +ATOM 1669 OG SER A 994 -14.571 -6.626 -37.802 1.00 64.99 O +ATOM 1670 H SER A 994 -13.279 -7.408 -35.685 1.00 43.61 H +ATOM 1671 HA SER A 994 -13.757 -4.597 -35.238 1.00 44.09 H +ATOM 1672 HB3 SER A 994 -12.944 -5.455 -37.390 1.00 50.40 H +ATOM 1673 HB2 SER A 994 -14.458 -4.603 -37.573 1.00 50.40 H +ATOM 1674 HG SER A 994 -15.515 -6.632 -37.619 1.00 64.99 H +ATOM 1675 N ILE A 995 -15.965 -4.828 -34.059 1.00 42.04 N +ATOM 1676 CA ILE A 995 -17.296 -4.714 -33.464 1.00 40.91 C +ATOM 1677 C ILE A 995 -18.064 -3.520 -34.068 1.00 43.90 C +ATOM 1678 O ILE A 995 -17.480 -2.455 -34.267 1.00 43.46 O +ATOM 1679 CB ILE A 995 -17.192 -4.556 -31.916 1.00 42.36 C +ATOM 1680 CG1 ILE A 995 -16.536 -5.790 -31.248 1.00 42.65 C +ATOM 1681 CG2 ILE A 995 -18.529 -4.242 -31.218 1.00 41.71 C +ATOM 1682 CD1 ILE A 995 -17.228 -7.139 -31.513 1.00 43.19 C +ATOM 1683 H ILE A 995 -15.219 -4.349 -33.575 1.00 42.04 H +ATOM 1684 HA ILE A 995 -17.863 -5.619 -33.689 1.00 40.91 H +ATOM 1685 HB ILE A 995 -16.532 -3.711 -31.714 1.00 42.36 H +ATOM 1686 HG13 ILE A 995 -16.475 -5.629 -30.172 1.00 42.65 H +ATOM 1687 HG12 ILE A 995 -15.501 -5.868 -31.578 1.00 42.65 H +ATOM 1688 HG21 ILE A 995 -18.434 -4.276 -30.134 1.00 41.71 H +ATOM 1689 HG22 ILE A 995 -18.899 -3.250 -31.464 1.00 41.71 H +ATOM 1690 HG23 ILE A 995 -19.292 -4.958 -31.512 1.00 41.71 H +ATOM 1691 HD11 ILE A 995 -16.639 -7.748 -32.199 1.00 43.19 H +ATOM 1692 HD12 ILE A 995 -17.348 -7.704 -30.589 1.00 43.19 H +ATOM 1693 HD13 ILE A 995 -18.221 -7.025 -31.946 1.00 43.19 H +ATOM 1694 N GLY A 996 -19.363 -3.733 -34.347 1.00 39.60 N +ATOM 1695 CA GLY A 996 -20.252 -2.755 -34.979 1.00 39.64 C +ATOM 1696 C GLY A 996 -20.596 -1.588 -34.040 1.00 40.81 C +ATOM 1697 O GLY A 996 -20.520 -1.711 -32.818 1.00 40.20 O +ATOM 1698 H GLY A 996 -19.764 -4.635 -34.139 1.00 39.60 H +ATOM 1699 HA3 GLY A 996 -21.173 -3.256 -35.273 1.00 39.64 H +ATOM 1700 HA2 GLY A 996 -19.788 -2.377 -35.892 1.00 39.64 H +ATOM 1701 N LEU A 997 -20.997 -0.458 -34.647 1.00 36.29 N +ATOM 1702 CA LEU A 997 -21.277 0.836 -34.014 1.00 34.21 C +ATOM 1703 C LEU A 997 -22.273 0.785 -32.840 1.00 36.59 C +ATOM 1704 O LEU A 997 -21.980 1.361 -31.794 1.00 34.53 O +ATOM 1705 CB LEU A 997 -21.711 1.829 -35.121 1.00 34.53 C +ATOM 1706 CG LEU A 997 -22.124 3.249 -34.665 1.00 38.00 C +ATOM 1707 CD1 LEU A 997 -21.037 3.947 -33.824 1.00 36.32 C +ATOM 1708 CD2 LEU A 997 -22.558 4.106 -35.869 1.00 39.98 C +ATOM 1709 H LEU A 997 -21.051 -0.455 -35.657 1.00 36.29 H +ATOM 1710 HA LEU A 997 -20.326 1.179 -33.603 1.00 34.21 H +ATOM 1711 HB3 LEU A 997 -22.545 1.391 -35.671 1.00 34.53 H +ATOM 1712 HB2 LEU A 997 -20.897 1.921 -35.842 1.00 34.53 H +ATOM 1713 HG LEU A 997 -23.015 3.149 -34.047 1.00 38.00 H +ATOM 1714 HD11 LEU A 997 -20.949 5.005 -34.060 1.00 36.32 H +ATOM 1715 HD12 LEU A 997 -21.263 3.882 -32.760 1.00 36.32 H +ATOM 1716 HD13 LEU A 997 -20.056 3.499 -33.980 1.00 36.32 H +ATOM 1717 HD21 LEU A 997 -23.419 4.725 -35.614 1.00 39.98 H +ATOM 1718 HD22 LEU A 997 -21.763 4.769 -36.208 1.00 39.98 H +ATOM 1719 HD23 LEU A 997 -22.845 3.494 -36.724 1.00 39.98 H +ATOM 1720 N ALA A 998 -23.409 0.089 -33.016 1.00 34.25 N +ATOM 1721 CA ALA A 998 -24.444 -0.055 -31.989 1.00 34.26 C +ATOM 1722 C ALA A 998 -23.979 -0.830 -30.750 1.00 36.18 C +ATOM 1723 O ALA A 998 -24.385 -0.484 -29.643 1.00 35.22 O +ATOM 1724 CB ALA A 998 -25.666 -0.747 -32.595 1.00 36.52 C +ATOM 1725 H ALA A 998 -23.583 -0.370 -33.900 1.00 34.25 H +ATOM 1726 HA ALA A 998 -24.741 0.949 -31.677 1.00 34.26 H +ATOM 1727 HB1 ALA A 998 -26.532 -0.659 -31.938 1.00 36.52 H +ATOM 1728 HB2 ALA A 998 -25.920 -0.291 -33.546 1.00 36.52 H +ATOM 1729 HB3 ALA A 998 -25.492 -1.807 -32.778 1.00 36.52 H +ATOM 1730 N GLN A 999 -23.130 -1.847 -30.960 1.00 32.90 N +ATOM 1731 CA GLN A 999 -22.559 -2.689 -29.914 1.00 31.66 C +ATOM 1732 C GLN A 999 -21.446 -1.975 -29.116 1.00 31.83 C +ATOM 1733 O GLN A 999 -21.293 -2.274 -27.934 1.00 31.42 O +ATOM 1734 CB GLN A 999 -22.134 -4.016 -30.571 1.00 33.78 C +ATOM 1735 CG GLN A 999 -21.621 -5.106 -29.611 1.00 53.37 C +ATOM 1736 CD GLN A 999 -21.398 -6.443 -30.329 1.00 79.04 C +ATOM 1737 OE1 GLN A 999 -22.211 -6.864 -31.150 1.00 77.41 O +ATOM 1738 NE2 GLN A 999 -20.304 -7.132 -30.005 1.00 70.04 N +ATOM 1739 H GLN A 999 -22.847 -2.066 -31.906 1.00 32.90 H +ATOM 1740 HA GLN A 999 -23.358 -2.921 -29.208 1.00 31.66 H +ATOM 1741 HB3 GLN A 999 -21.389 -3.822 -31.342 1.00 33.78 H +ATOM 1742 HB2 GLN A 999 -23.006 -4.407 -31.098 1.00 33.78 H +ATOM 1743 HG3 GLN A 999 -22.345 -5.266 -28.811 1.00 53.37 H +ATOM 1744 HG2 GLN A 999 -20.695 -4.784 -29.133 1.00 53.37 H +ATOM 1745 HE22 GLN A 999 -20.123 -8.026 -30.439 1.00 70.04 H +ATOM 1746 HE21 GLN A 999 -19.667 -6.780 -29.305 1.00 70.04 H +ATOM 1747 N LEU A1000 -20.751 -0.997 -29.732 1.00 27.73 N +ATOM 1748 CA LEU A1000 -19.837 -0.069 -29.050 1.00 27.15 C +ATOM 1749 C LEU A1000 -20.595 0.953 -28.181 1.00 30.03 C +ATOM 1750 O LEU A1000 -20.124 1.276 -27.092 1.00 28.40 O +ATOM 1751 CB LEU A1000 -18.945 0.674 -30.074 1.00 27.39 C +ATOM 1752 CG LEU A1000 -17.991 -0.227 -30.886 1.00 31.72 C +ATOM 1753 CD1 LEU A1000 -17.371 0.546 -32.070 1.00 31.24 C +ATOM 1754 CD2 LEU A1000 -16.934 -0.917 -29.997 1.00 32.46 C +ATOM 1755 H LEU A1000 -20.916 -0.817 -30.713 1.00 27.73 H +ATOM 1756 HA LEU A1000 -19.200 -0.650 -28.383 1.00 27.15 H +ATOM 1757 HB3 LEU A1000 -18.351 1.434 -29.562 1.00 27.39 H +ATOM 1758 HB2 LEU A1000 -19.586 1.222 -30.765 1.00 27.39 H +ATOM 1759 HG LEU A1000 -18.585 -1.019 -31.332 1.00 31.72 H +ATOM 1760 HD11 LEU A1000 -16.292 0.426 -32.140 1.00 31.24 H +ATOM 1761 HD12 LEU A1000 -17.786 0.194 -33.015 1.00 31.24 H +ATOM 1762 HD13 LEU A1000 -17.569 1.617 -32.011 1.00 31.24 H +ATOM 1763 HD21 LEU A1000 -15.920 -0.822 -30.385 1.00 32.46 H +ATOM 1764 HD22 LEU A1000 -16.925 -0.518 -28.983 1.00 32.46 H +ATOM 1765 HD23 LEU A1000 -17.146 -1.982 -29.914 1.00 32.46 H +ATOM 1766 N LEU A1001 -21.763 1.420 -28.659 1.00 27.18 N +ATOM 1767 CA LEU A1001 -22.668 2.317 -27.931 1.00 26.38 C +ATOM 1768 C LEU A1001 -23.415 1.608 -26.786 1.00 30.80 C +ATOM 1769 O LEU A1001 -23.803 2.280 -25.831 1.00 31.19 O +ATOM 1770 CB LEU A1001 -23.664 2.964 -28.916 1.00 26.55 C +ATOM 1771 CG LEU A1001 -23.009 3.940 -29.919 1.00 30.43 C +ATOM 1772 CD1 LEU A1001 -23.960 4.224 -31.098 1.00 31.54 C +ATOM 1773 CD2 LEU A1001 -22.500 5.228 -29.235 1.00 29.53 C +ATOM 1774 H LEU A1001 -22.074 1.125 -29.576 1.00 27.18 H +ATOM 1775 HA LEU A1001 -22.066 3.104 -27.475 1.00 26.38 H +ATOM 1776 HB3 LEU A1001 -24.448 3.493 -28.371 1.00 26.55 H +ATOM 1777 HB2 LEU A1001 -24.174 2.171 -29.464 1.00 26.55 H +ATOM 1778 HG LEU A1001 -22.132 3.458 -30.347 1.00 30.43 H +ATOM 1779 HD11 LEU A1001 -23.986 5.276 -31.382 1.00 31.54 H +ATOM 1780 HD12 LEU A1001 -23.649 3.668 -31.980 1.00 31.54 H +ATOM 1781 HD13 LEU A1001 -24.984 3.918 -30.880 1.00 31.54 H +ATOM 1782 HD21 LEU A1001 -22.846 6.137 -29.725 1.00 29.53 H +ATOM 1783 HD22 LEU A1001 -22.816 5.291 -28.193 1.00 29.53 H +ATOM 1784 HD23 LEU A1001 -21.410 5.261 -29.241 1.00 29.53 H +ATOM 1785 N LEU A1002 -23.566 0.274 -26.876 1.00 28.48 N +ATOM 1786 CA LEU A1002 -24.071 -0.573 -25.798 1.00 29.15 C +ATOM 1787 C LEU A1002 -23.034 -0.720 -24.674 1.00 32.78 C +ATOM 1788 O LEU A1002 -23.419 -0.645 -23.512 1.00 33.09 O +ATOM 1789 CB LEU A1002 -24.495 -1.945 -26.361 1.00 30.13 C +ATOM 1790 CG LEU A1002 -25.243 -2.859 -25.364 1.00 35.32 C +ATOM 1791 CD1 LEU A1002 -26.559 -2.231 -24.853 1.00 35.94 C +ATOM 1792 CD2 LEU A1002 -25.461 -4.257 -25.970 1.00 37.39 C +ATOM 1793 H LEU A1002 -23.251 -0.204 -27.709 1.00 28.48 H +ATOM 1794 HA LEU A1002 -24.950 -0.077 -25.383 1.00 29.15 H +ATOM 1795 HB3 LEU A1002 -23.607 -2.464 -26.722 1.00 30.13 H +ATOM 1796 HB2 LEU A1002 -25.123 -1.797 -27.238 1.00 30.13 H +ATOM 1797 HG LEU A1002 -24.597 -3.010 -24.498 1.00 35.32 H +ATOM 1798 HD11 LEU A1002 -27.382 -2.945 -24.829 1.00 35.94 H +ATOM 1799 HD12 LEU A1002 -26.434 -1.855 -23.837 1.00 35.94 H +ATOM 1800 HD13 LEU A1002 -26.882 -1.394 -25.473 1.00 35.94 H +ATOM 1801 HD21 LEU A1002 -25.178 -5.038 -25.263 1.00 37.39 H +ATOM 1802 HD22 LEU A1002 -26.499 -4.429 -26.254 1.00 37.39 H +ATOM 1803 HD23 LEU A1002 -24.861 -4.403 -26.868 1.00 37.39 H +ATOM 1804 N PHE A1003 -21.743 -0.871 -25.023 1.00 28.23 N +ATOM 1805 CA PHE A1003 -20.641 -0.882 -24.054 1.00 28.18 C +ATOM 1806 C PHE A1003 -20.492 0.469 -23.336 1.00 29.97 C +ATOM 1807 O PHE A1003 -20.248 0.473 -22.133 1.00 28.15 O +ATOM 1808 CB PHE A1003 -19.312 -1.272 -24.735 1.00 29.26 C +ATOM 1809 CG PHE A1003 -19.273 -2.605 -25.466 1.00 30.64 C +ATOM 1810 CD1 PHE A1003 -20.024 -3.718 -25.024 1.00 35.83 C +ATOM 1811 CD2 PHE A1003 -18.349 -2.783 -26.518 1.00 32.41 C +ATOM 1812 CE1 PHE A1003 -19.919 -4.932 -25.687 1.00 37.36 C +ATOM 1813 CE2 PHE A1003 -18.254 -4.007 -27.165 1.00 35.63 C +ATOM 1814 CZ PHE A1003 -19.051 -5.071 -26.763 1.00 35.58 C +ATOM 1815 H PHE A1003 -21.488 -0.949 -25.998 1.00 28.23 H +ATOM 1816 HA PHE A1003 -20.872 -1.624 -23.287 1.00 28.18 H +ATOM 1817 HB3 PHE A1003 -18.513 -1.280 -23.993 1.00 29.26 H +ATOM 1818 HB2 PHE A1003 -19.040 -0.498 -25.453 1.00 29.26 H +ATOM 1819 HD1 PHE A1003 -20.697 -3.642 -24.184 1.00 35.83 H +ATOM 1820 HD2 PHE A1003 -17.720 -1.964 -26.835 1.00 32.41 H +ATOM 1821 HE1 PHE A1003 -20.509 -5.774 -25.354 1.00 37.36 H +ATOM 1822 HE2 PHE A1003 -17.555 -4.132 -27.978 1.00 35.63 H +ATOM 1823 HZ PHE A1003 -18.975 -6.020 -27.272 1.00 35.58 H +ATOM 1824 N ALA A1004 -20.705 1.578 -24.067 1.00 26.49 N +ATOM 1825 CA ALA A1004 -20.726 2.944 -23.542 1.00 26.36 C +ATOM 1826 C ALA A1004 -21.860 3.187 -22.532 1.00 28.13 C +ATOM 1827 O ALA A1004 -21.618 3.810 -21.500 1.00 27.39 O +ATOM 1828 CB ALA A1004 -20.837 3.926 -24.715 1.00 27.23 C +ATOM 1829 H ALA A1004 -20.890 1.484 -25.057 1.00 26.49 H +ATOM 1830 HA ALA A1004 -19.773 3.115 -23.041 1.00 26.36 H +ATOM 1831 HB1 ALA A1004 -20.637 4.947 -24.390 1.00 27.23 H +ATOM 1832 HB2 ALA A1004 -20.122 3.678 -25.500 1.00 27.23 H +ATOM 1833 HB3 ALA A1004 -21.829 3.918 -25.164 1.00 27.23 H +ATOM 1834 N GLN A1005 -23.060 2.661 -22.839 1.00 24.98 N +ATOM 1835 CA GLN A1005 -24.241 2.670 -21.976 1.00 26.13 C +ATOM 1836 C GLN A1005 -24.005 1.880 -20.676 1.00 30.14 C +ATOM 1837 O GLN A1005 -24.287 2.400 -19.601 1.00 29.23 O +ATOM 1838 CB GLN A1005 -25.433 2.097 -22.770 1.00 27.37 C +ATOM 1839 CG GLN A1005 -26.787 2.123 -22.034 1.00 34.59 C +ATOM 1840 CD GLN A1005 -27.753 1.102 -22.634 1.00 45.52 C +ATOM 1841 OE1 GLN A1005 -28.014 1.121 -23.835 1.00 37.97 O +ATOM 1842 NE2 GLN A1005 -28.296 0.216 -21.798 1.00 40.39 N +ATOM 1843 H GLN A1005 -23.170 2.180 -23.722 1.00 24.98 H +ATOM 1844 HA GLN A1005 -24.463 3.706 -21.713 1.00 26.13 H +ATOM 1845 HB3 GLN A1005 -25.200 1.069 -23.046 1.00 27.37 H +ATOM 1846 HB2 GLN A1005 -25.542 2.624 -23.717 1.00 27.37 H +ATOM 1847 HG3 GLN A1005 -27.223 3.120 -22.095 1.00 34.59 H +ATOM 1848 HG2 GLN A1005 -26.674 1.906 -20.973 1.00 34.59 H +ATOM 1849 HE22 GLN A1005 -28.941 -0.481 -22.142 1.00 40.39 H +ATOM 1850 HE21 GLN A1005 -28.027 0.204 -20.821 1.00 40.39 H +ATOM 1851 N GLN A1006 -23.477 0.652 -20.811 1.00 27.56 N +ATOM 1852 CA GLN A1006 -23.173 -0.270 -19.716 1.00 27.14 C +ATOM 1853 C GLN A1006 -22.072 0.236 -18.768 1.00 28.50 C +ATOM 1854 O GLN A1006 -22.194 0.035 -17.560 1.00 29.35 O +ATOM 1855 CB GLN A1006 -22.838 -1.652 -20.304 1.00 28.20 C +ATOM 1856 CG GLN A1006 -24.071 -2.360 -20.908 1.00 30.44 C +ATOM 1857 CD GLN A1006 -23.732 -3.689 -21.587 1.00 43.69 C +ATOM 1858 OE1 GLN A1006 -22.570 -4.021 -21.806 1.00 40.01 O +ATOM 1859 NE2 GLN A1006 -24.762 -4.459 -21.939 1.00 39.19 N +ATOM 1860 H GLN A1006 -23.289 0.300 -21.741 1.00 27.56 H +ATOM 1861 HA GLN A1006 -24.079 -0.372 -19.117 1.00 27.14 H +ATOM 1862 HB3 GLN A1006 -22.408 -2.289 -19.530 1.00 28.20 H +ATOM 1863 HB2 GLN A1006 -22.063 -1.537 -21.063 1.00 28.20 H +ATOM 1864 HG3 GLN A1006 -24.572 -1.725 -21.635 1.00 30.44 H +ATOM 1865 HG2 GLN A1006 -24.815 -2.535 -20.135 1.00 30.44 H +ATOM 1866 HE22 GLN A1006 -24.602 -5.353 -22.387 1.00 39.19 H +ATOM 1867 HE21 GLN A1006 -25.716 -4.155 -21.777 1.00 39.19 H +ATOM 1868 N ILE A1007 -21.062 0.943 -19.312 1.00 24.53 N +ATOM 1869 CA ILE A1007 -20.069 1.692 -18.536 1.00 23.52 C +ATOM 1870 C ILE A1007 -20.727 2.816 -17.713 1.00 26.94 C +ATOM 1871 O ILE A1007 -20.405 2.941 -16.536 1.00 25.88 O +ATOM 1872 CB ILE A1007 -18.931 2.286 -19.427 1.00 26.23 C +ATOM 1873 CG1 ILE A1007 -18.024 1.167 -19.988 1.00 26.44 C +ATOM 1874 CG2 ILE A1007 -18.040 3.356 -18.749 1.00 26.63 C +ATOM 1875 CD1 ILE A1007 -17.291 1.555 -21.285 1.00 29.19 C +ATOM 1876 H ILE A1007 -21.013 1.046 -20.317 1.00 24.53 H +ATOM 1877 HA ILE A1007 -19.614 0.992 -17.831 1.00 23.52 H +ATOM 1878 HB ILE A1007 -19.417 2.769 -20.276 1.00 26.23 H +ATOM 1879 HG13 ILE A1007 -18.608 0.270 -20.180 1.00 26.44 H +ATOM 1880 HG12 ILE A1007 -17.298 0.870 -19.230 1.00 26.44 H +ATOM 1881 HG21 ILE A1007 -17.216 3.653 -19.397 1.00 26.63 H +ATOM 1882 HG22 ILE A1007 -18.590 4.267 -18.511 1.00 26.63 H +ATOM 1883 HG23 ILE A1007 -17.606 2.974 -17.825 1.00 26.63 H +ATOM 1884 HD11 ILE A1007 -17.143 0.685 -21.925 1.00 29.19 H +ATOM 1885 HD12 ILE A1007 -17.847 2.290 -21.866 1.00 29.19 H +ATOM 1886 HD13 ILE A1007 -16.313 1.980 -21.071 1.00 29.19 H +ATOM 1887 N CYS A1008 -21.665 3.570 -18.316 1.00 24.96 N +ATOM 1888 CA CYS A1008 -22.405 4.643 -17.644 1.00 26.23 C +ATOM 1889 C CYS A1008 -23.328 4.144 -16.518 1.00 28.78 C +ATOM 1890 O CYS A1008 -23.468 4.853 -15.526 1.00 27.82 O +ATOM 1891 CB CYS A1008 -23.199 5.533 -18.619 1.00 27.44 C +ATOM 1892 SG CYS A1008 -22.060 6.457 -19.678 1.00 31.30 S +ATOM 1893 H CYS A1008 -21.894 3.406 -19.288 1.00 24.96 H +ATOM 1894 HA CYS A1008 -21.653 5.263 -17.158 1.00 26.23 H +ATOM 1895 HB3 CYS A1008 -23.802 6.261 -18.076 1.00 27.44 H +ATOM 1896 HB2 CYS A1008 -23.879 4.950 -19.240 1.00 27.44 H +ATOM 1897 HG CYS A1008 -21.658 5.407 -20.404 1.00 31.30 H +ATOM 1898 N GLU A1009 -23.905 2.938 -16.664 1.00 27.13 N +ATOM 1899 CA GLU A1009 -24.712 2.274 -15.636 1.00 27.79 C +ATOM 1900 C GLU A1009 -23.884 1.789 -14.430 1.00 31.65 C +ATOM 1901 O GLU A1009 -24.361 1.902 -13.301 1.00 32.67 O +ATOM 1902 CB GLU A1009 -25.530 1.130 -16.269 1.00 29.33 C +ATOM 1903 CG GLU A1009 -26.650 1.632 -17.202 1.00 35.16 C +ATOM 1904 CD GLU A1009 -27.432 0.501 -17.874 1.00 58.21 C +ATOM 1905 OE1 GLU A1009 -26.942 -0.003 -18.909 1.00 48.70 O +ATOM 1906 OE2 GLU A1009 -28.529 0.175 -17.369 1.00 60.77 O1- +ATOM 1907 H GLU A1009 -23.769 2.425 -17.524 1.00 27.13 H +ATOM 1908 HA GLU A1009 -25.420 3.006 -15.244 1.00 27.79 H +ATOM 1909 HB3 GLU A1009 -25.961 0.497 -15.492 1.00 29.33 H +ATOM 1910 HB2 GLU A1009 -24.857 0.492 -16.843 1.00 29.33 H +ATOM 1911 HG3 GLU A1009 -26.235 2.264 -17.984 1.00 35.16 H +ATOM 1912 HG2 GLU A1009 -27.341 2.262 -16.641 1.00 35.16 H +ATOM 1913 N GLY A1010 -22.657 1.295 -14.679 1.00 27.84 N +ATOM 1914 CA GLY A1010 -21.732 0.852 -13.634 1.00 27.29 C +ATOM 1915 C GLY A1010 -21.077 2.043 -12.915 1.00 30.56 C +ATOM 1916 O GLY A1010 -20.854 1.969 -11.707 1.00 30.70 O +ATOM 1917 H GLY A1010 -22.337 1.226 -15.636 1.00 27.84 H +ATOM 1918 HA3 GLY A1010 -20.956 0.239 -14.093 1.00 27.29 H +ATOM 1919 HA2 GLY A1010 -22.247 0.220 -12.909 1.00 27.29 H +ATOM 1920 N MET A1011 -20.798 3.140 -13.643 1.00 27.80 N +ATOM 1921 CA MET A1011 -20.230 4.381 -13.113 1.00 26.42 C +ATOM 1922 C MET A1011 -21.251 5.243 -12.348 1.00 31.30 C +ATOM 1923 O MET A1011 -20.854 5.901 -11.387 1.00 31.07 O +ATOM 1924 CB MET A1011 -19.591 5.196 -14.253 1.00 27.40 C +ATOM 1925 CG MET A1011 -18.266 4.634 -14.804 1.00 29.13 C +ATOM 1926 SD MET A1011 -16.888 4.453 -13.634 1.00 32.16 S +ATOM 1927 CE MET A1011 -16.919 6.084 -12.860 1.00 29.76 C +ATOM 1928 H MET A1011 -20.981 3.129 -14.638 1.00 27.80 H +ATOM 1929 HA MET A1011 -19.451 4.119 -12.397 1.00 26.42 H +ATOM 1930 HB3 MET A1011 -19.416 6.218 -13.918 1.00 27.40 H +ATOM 1931 HB2 MET A1011 -20.304 5.291 -15.073 1.00 27.40 H +ATOM 1932 HG3 MET A1011 -17.929 5.278 -15.615 1.00 29.13 H +ATOM 1933 HG2 MET A1011 -18.424 3.657 -15.250 1.00 29.13 H +ATOM 1934 HE1 MET A1011 -15.990 6.273 -12.328 1.00 29.76 H +ATOM 1935 HE2 MET A1011 -17.055 6.852 -13.618 1.00 29.76 H +ATOM 1936 HE3 MET A1011 -17.742 6.148 -12.148 1.00 29.76 H +ATOM 1937 N ALA A1012 -22.535 5.211 -12.749 1.00 27.75 N +ATOM 1938 CA ALA A1012 -23.634 5.849 -12.016 1.00 28.69 C +ATOM 1939 C ALA A1012 -23.888 5.180 -10.659 1.00 34.11 C +ATOM 1940 O ALA A1012 -24.101 5.891 -9.678 1.00 34.50 O +ATOM 1941 CB ALA A1012 -24.917 5.843 -12.856 1.00 29.26 C +ATOM 1942 H ALA A1012 -22.793 4.685 -13.573 1.00 27.75 H +ATOM 1943 HA ALA A1012 -23.360 6.890 -11.829 1.00 28.69 H +ATOM 1944 HB1 ALA A1012 -25.767 6.222 -12.287 1.00 29.26 H +ATOM 1945 HB2 ALA A1012 -24.815 6.478 -13.734 1.00 29.26 H +ATOM 1946 HB3 ALA A1012 -25.167 4.837 -13.194 1.00 29.26 H +ATOM 1947 N TYR A1013 -23.802 3.837 -10.621 1.00 31.58 N +ATOM 1948 CA TYR A1013 -23.833 3.052 -9.389 1.00 32.97 C +ATOM 1949 C TYR A1013 -22.647 3.367 -8.458 1.00 36.19 C +ATOM 1950 O TYR A1013 -22.873 3.547 -7.265 1.00 37.27 O +ATOM 1951 CB TYR A1013 -23.952 1.546 -9.717 1.00 34.46 C +ATOM 1952 CG TYR A1013 -23.724 0.624 -8.528 1.00 37.28 C +ATOM 1953 CD1 TYR A1013 -24.733 0.447 -7.560 1.00 41.29 C +ATOM 1954 CD2 TYR A1013 -22.475 -0.004 -8.357 1.00 37.10 C +ATOM 1955 CE1 TYR A1013 -24.484 -0.335 -6.415 1.00 41.87 C +ATOM 1956 CE2 TYR A1013 -22.228 -0.795 -7.220 1.00 38.57 C +ATOM 1957 CZ TYR A1013 -23.227 -0.947 -6.240 1.00 45.11 C +ATOM 1958 OH TYR A1013 -22.971 -1.682 -5.119 1.00 46.37 O +ATOM 1959 H TYR A1013 -23.632 3.324 -11.475 1.00 31.58 H +ATOM 1960 HA TYR A1013 -24.744 3.336 -8.858 1.00 32.97 H +ATOM 1961 HB3 TYR A1013 -23.229 1.281 -10.489 1.00 34.46 H +ATOM 1962 HB2 TYR A1013 -24.932 1.339 -10.149 1.00 34.46 H +ATOM 1963 HD1 TYR A1013 -25.691 0.933 -7.679 1.00 41.29 H +ATOM 1964 HD2 TYR A1013 -21.699 0.134 -9.093 1.00 37.10 H +ATOM 1965 HE1 TYR A1013 -25.254 -0.453 -5.668 1.00 41.87 H +ATOM 1966 HE2 TYR A1013 -21.271 -1.279 -7.103 1.00 38.57 H +ATOM 1967 HH TYR A1013 -23.715 -1.718 -4.512 1.00 46.37 H +ATOM 1968 N LEU A1014 -21.426 3.458 -9.016 1.00 29.93 N +ATOM 1969 CA LEU A1014 -20.195 3.785 -8.288 1.00 29.88 C +ATOM 1970 C LEU A1014 -20.270 5.149 -7.570 1.00 33.60 C +ATOM 1971 O LEU A1014 -19.846 5.249 -6.419 1.00 34.49 O +ATOM 1972 CB LEU A1014 -19.001 3.715 -9.269 1.00 29.28 C +ATOM 1973 CG LEU A1014 -17.604 3.885 -8.634 1.00 33.67 C +ATOM 1974 CD1 LEU A1014 -17.247 2.688 -7.739 1.00 34.68 C +ATOM 1975 CD2 LEU A1014 -16.526 4.121 -9.705 1.00 34.91 C +ATOM 1976 H LEU A1014 -21.321 3.285 -10.007 1.00 29.93 H +ATOM 1977 HA LEU A1014 -20.068 3.014 -7.526 1.00 29.88 H +ATOM 1978 HB3 LEU A1014 -19.131 4.492 -10.023 1.00 29.28 H +ATOM 1979 HB2 LEU A1014 -19.028 2.770 -9.814 1.00 29.28 H +ATOM 1980 HG LEU A1014 -17.600 4.778 -8.012 1.00 33.67 H +ATOM 1981 HD11 LEU A1014 -16.188 2.679 -7.476 1.00 34.68 H +ATOM 1982 HD12 LEU A1014 -17.808 2.711 -6.806 1.00 34.68 H +ATOM 1983 HD13 LEU A1014 -17.477 1.744 -8.233 1.00 34.68 H +ATOM 1984 HD21 LEU A1014 -15.644 3.497 -9.557 1.00 34.91 H +ATOM 1985 HD22 LEU A1014 -16.898 3.915 -10.707 1.00 34.91 H +ATOM 1986 HD23 LEU A1014 -16.193 5.159 -9.688 1.00 34.91 H +ATOM 1987 N HIS A1015 -20.849 6.150 -8.253 1.00 30.39 N +ATOM 1988 CA HIS A1015 -21.057 7.508 -7.748 1.00 30.40 C +ATOM 1989 C HIS A1015 -22.203 7.615 -6.730 1.00 37.10 C +ATOM 1990 O HIS A1015 -22.134 8.480 -5.858 1.00 37.94 O +ATOM 1991 CB HIS A1015 -21.294 8.459 -8.934 1.00 29.83 C +ATOM 1992 CG HIS A1015 -20.101 8.684 -9.828 1.00 31.72 C +ATOM 1993 ND1 HIS A1015 -20.082 9.715 -10.769 1.00 32.83 N +ATOM 1994 CD2 HIS A1015 -18.898 8.007 -9.891 1.00 32.40 C +ATOM 1995 CE1 HIS A1015 -18.890 9.629 -11.339 1.00 31.99 C +ATOM 1996 NE2 HIS A1015 -18.143 8.644 -10.852 1.00 31.94 N +ATOM 1997 H HIS A1015 -21.169 5.978 -9.197 1.00 30.39 H +ATOM 1998 HA HIS A1015 -20.152 7.828 -7.229 1.00 30.40 H +ATOM 1999 HB3 HIS A1015 -21.608 9.438 -8.569 1.00 29.83 H +ATOM 2000 HB2 HIS A1015 -22.112 8.089 -9.554 1.00 29.83 H +ATOM 2001 HD2 HIS A1015 -18.524 7.155 -9.345 1.00 32.40 H +ATOM 2002 HE1 HIS A1015 -18.573 10.275 -12.138 1.00 31.99 H +ATOM 2003 HE2 HIS A1015 -17.190 8.424 -11.119 1.00 31.94 H +ATOM 2004 N ALA A1016 -23.211 6.730 -6.834 1.00 34.33 N +ATOM 2005 CA ALA A1016 -24.292 6.585 -5.856 1.00 35.70 C +ATOM 2006 C ALA A1016 -23.821 5.922 -4.546 1.00 40.39 C +ATOM 2007 O ALA A1016 -24.360 6.244 -3.489 1.00 42.00 O +ATOM 2008 CB ALA A1016 -25.451 5.800 -6.489 1.00 36.70 C +ATOM 2009 H ALA A1016 -23.210 6.064 -7.594 1.00 34.33 H +ATOM 2010 HA ALA A1016 -24.662 7.581 -5.608 1.00 35.70 H +ATOM 2011 HB1 ALA A1016 -26.291 5.712 -5.799 1.00 36.70 H +ATOM 2012 HB2 ALA A1016 -25.818 6.300 -7.386 1.00 36.70 H +ATOM 2013 HB3 ALA A1016 -25.152 4.791 -6.772 1.00 36.70 H +ATOM 2014 N GLN A1017 -22.787 5.064 -4.635 1.00 37.13 N +ATOM 2015 CA GLN A1017 -22.036 4.512 -3.502 1.00 37.34 C +ATOM 2016 C GLN A1017 -20.962 5.483 -2.955 1.00 40.83 C +ATOM 2017 O GLN A1017 -20.257 5.120 -2.013 1.00 41.85 O +ATOM 2018 CB GLN A1017 -21.413 3.155 -3.915 1.00 37.57 C +ATOM 2019 CG GLN A1017 -22.410 2.027 -4.261 1.00 50.69 C +ATOM 2020 CD GLN A1017 -23.428 1.735 -3.159 1.00 63.42 C +ATOM 2021 OE1 GLN A1017 -23.055 1.428 -2.030 1.00 61.45 O +ATOM 2022 NE2 GLN A1017 -24.719 1.815 -3.487 1.00 53.50 N +ATOM 2023 H GLN A1017 -22.426 4.834 -5.551 1.00 37.13 H +ATOM 2024 HA GLN A1017 -22.727 4.347 -2.674 1.00 37.34 H +ATOM 2025 HB3 GLN A1017 -20.770 2.791 -3.113 1.00 37.57 H +ATOM 2026 HB2 GLN A1017 -20.758 3.304 -4.773 1.00 37.57 H +ATOM 2027 HG3 GLN A1017 -21.859 1.109 -4.466 1.00 50.69 H +ATOM 2028 HG2 GLN A1017 -22.944 2.264 -5.177 1.00 50.69 H +ATOM 2029 HE22 GLN A1017 -25.427 1.631 -2.791 1.00 53.50 H +ATOM 2030 HE21 GLN A1017 -24.995 2.075 -4.422 1.00 53.50 H +ATOM 2031 N HIS A1018 -20.868 6.694 -3.535 1.00 43.65 N +ATOM 2032 CA HIS A1018 -19.987 7.804 -3.159 1.00 42.72 C +ATOM 2033 C HIS A1018 -18.485 7.544 -3.385 1.00 42.39 C +ATOM 2034 O HIS A1018 -17.658 8.063 -2.636 1.00 42.28 O +ATOM 2035 CB HIS A1018 -20.325 8.353 -1.751 1.00 46.64 C +ATOM 2036 CG HIS A1018 -21.690 8.984 -1.654 1.00 52.37 C +ATOM 2037 ND1 HIS A1018 -21.945 10.278 -2.076 1.00 54.35 N +ATOM 2038 CD2 HIS A1018 -22.888 8.509 -1.166 1.00 56.51 C +ATOM 2039 CE1 HIS A1018 -23.236 10.521 -1.839 1.00 55.92 C +ATOM 2040 NE2 HIS A1018 -23.871 9.493 -1.289 1.00 57.64 N +ATOM 2041 H HIS A1018 -21.499 6.901 -4.297 1.00 43.65 H +ATOM 2042 HA HIS A1018 -20.228 8.589 -3.873 1.00 42.72 H +ATOM 2043 HB3 HIS A1018 -19.613 9.122 -1.457 1.00 46.64 H +ATOM 2044 HB2 HIS A1018 -20.245 7.572 -0.994 1.00 46.64 H +ATOM 2045 HD1 HIS A1018 -21.281 10.930 -2.475 1.00 54.35 H +ATOM 2046 HD2 HIS A1018 -23.116 7.542 -0.744 1.00 56.51 H +ATOM 2047 HE1 HIS A1018 -23.715 11.462 -2.067 1.00 55.92 H +ATOM 2048 N TYR A1019 -18.162 6.786 -4.443 1.00 35.47 N +ATOM 2049 CA TYR A1019 -16.796 6.540 -4.899 1.00 33.30 C +ATOM 2050 C TYR A1019 -16.560 7.203 -6.265 1.00 34.14 C +ATOM 2051 O TYR A1019 -17.489 7.334 -7.060 1.00 33.14 O +ATOM 2052 CB TYR A1019 -16.557 5.022 -5.022 1.00 34.28 C +ATOM 2053 CG TYR A1019 -16.661 4.215 -3.739 1.00 38.78 C +ATOM 2054 CD1 TYR A1019 -15.668 4.330 -2.746 1.00 41.85 C +ATOM 2055 CD2 TYR A1019 -17.732 3.318 -3.549 1.00 40.74 C +ATOM 2056 CE1 TYR A1019 -15.753 3.568 -1.566 1.00 44.99 C +ATOM 2057 CE2 TYR A1019 -17.808 2.539 -2.378 1.00 43.80 C +ATOM 2058 CZ TYR A1019 -16.817 2.663 -1.385 1.00 51.67 C +ATOM 2059 OH TYR A1019 -16.885 1.906 -0.251 1.00 54.79 O +ATOM 2060 H TYR A1019 -18.894 6.392 -5.020 1.00 35.47 H +ATOM 2061 HA TYR A1019 -16.081 6.951 -4.188 1.00 33.30 H +ATOM 2062 HB3 TYR A1019 -15.565 4.835 -5.438 1.00 34.28 H +ATOM 2063 HB2 TYR A1019 -17.263 4.613 -5.740 1.00 34.28 H +ATOM 2064 HD1 TYR A1019 -14.835 4.996 -2.893 1.00 41.85 H +ATOM 2065 HD2 TYR A1019 -18.492 3.220 -4.308 1.00 40.74 H +ATOM 2066 HE1 TYR A1019 -14.987 3.663 -0.812 1.00 44.99 H +ATOM 2067 HE2 TYR A1019 -18.625 1.845 -2.245 1.00 43.80 H +ATOM 2068 HH TYR A1019 -16.158 2.067 0.354 1.00 54.79 H +ATOM 2069 N ILE A1020 -15.289 7.536 -6.521 1.00 29.77 N +ATOM 2070 CA ILE A1020 -14.732 7.899 -7.826 1.00 28.07 C +ATOM 2071 C ILE A1020 -13.745 6.798 -8.262 1.00 32.77 C +ATOM 2072 O ILE A1020 -13.145 6.156 -7.399 1.00 34.18 O +ATOM 2073 CB ILE A1020 -13.975 9.261 -7.762 1.00 30.74 C +ATOM 2074 CG1 ILE A1020 -12.981 9.361 -6.573 1.00 31.83 C +ATOM 2075 CG2 ILE A1020 -14.990 10.419 -7.776 1.00 31.74 C +ATOM 2076 CD1 ILE A1020 -12.103 10.614 -6.545 1.00 34.37 C +ATOM 2077 H ILE A1020 -14.600 7.396 -5.793 1.00 29.77 H +ATOM 2078 HA ILE A1020 -15.529 7.954 -8.569 1.00 28.07 H +ATOM 2079 HB ILE A1020 -13.387 9.362 -8.676 1.00 30.74 H +ATOM 2080 HG13 ILE A1020 -12.317 8.498 -6.563 1.00 31.83 H +ATOM 2081 HG12 ILE A1020 -13.528 9.323 -5.635 1.00 31.83 H +ATOM 2082 HG21 ILE A1020 -14.504 11.393 -7.804 1.00 31.74 H +ATOM 2083 HG22 ILE A1020 -15.631 10.362 -8.656 1.00 31.74 H +ATOM 2084 HG23 ILE A1020 -15.638 10.391 -6.901 1.00 31.74 H +ATOM 2085 HD11 ILE A1020 -11.396 10.561 -5.718 1.00 34.37 H +ATOM 2086 HD12 ILE A1020 -11.523 10.701 -7.459 1.00 34.37 H +ATOM 2087 HD13 ILE A1020 -12.688 11.525 -6.418 1.00 34.37 H +ATOM 2088 N HIS A1021 -13.614 6.578 -9.582 1.00 29.57 N +ATOM 2089 CA HIS A1021 -12.786 5.511 -10.155 1.00 28.01 C +ATOM 2090 C HIS A1021 -11.322 5.937 -10.347 1.00 30.31 C +ATOM 2091 O HIS A1021 -10.436 5.175 -9.969 1.00 28.41 O +ATOM 2092 CB HIS A1021 -13.403 5.013 -11.479 1.00 27.19 C +ATOM 2093 CG HIS A1021 -12.853 3.693 -11.959 1.00 29.30 C +ATOM 2094 ND1 HIS A1021 -11.667 3.594 -12.689 1.00 30.35 N +ATOM 2095 CD2 HIS A1021 -13.363 2.425 -11.774 1.00 30.30 C +ATOM 2096 CE1 HIS A1021 -11.504 2.297 -12.912 1.00 29.49 C +ATOM 2097 NE2 HIS A1021 -12.474 1.556 -12.382 1.00 29.77 N +ATOM 2098 H HIS A1021 -14.123 7.159 -10.238 1.00 29.57 H +ATOM 2099 HA HIS A1021 -12.801 4.668 -9.461 1.00 28.01 H +ATOM 2100 HB3 HIS A1021 -13.282 5.753 -12.271 1.00 27.19 H +ATOM 2101 HB2 HIS A1021 -14.474 4.880 -11.356 1.00 27.19 H +ATOM 2102 HD2 HIS A1021 -14.255 2.085 -11.273 1.00 30.30 H +ATOM 2103 HE1 HIS A1021 -10.667 1.883 -13.456 1.00 29.49 H +ATOM 2104 HE2 HIS A1021 -12.538 0.547 -12.425 1.00 29.77 H +ATOM 2105 N ARG A1022 -11.096 7.121 -10.943 1.00 26.88 N +ATOM 2106 CA ARG A1022 -9.784 7.722 -11.235 1.00 26.62 C +ATOM 2107 C ARG A1022 -8.908 6.986 -12.278 1.00 29.84 C +ATOM 2108 O ARG A1022 -7.774 7.416 -12.489 1.00 30.79 O +ATOM 2109 CB ARG A1022 -8.980 7.994 -9.941 1.00 26.30 C +ATOM 2110 CG ARG A1022 -9.678 8.917 -8.919 1.00 34.16 C +ATOM 2111 CD ARG A1022 -8.867 9.205 -7.638 1.00 40.37 C +ATOM 2112 NE ARG A1022 -7.494 9.662 -7.927 1.00 53.37 N +ATOM 2113 CZ ARG A1022 -6.339 9.249 -7.370 1.00 66.01 C +ATOM 2114 NH1 ARG A1022 -6.301 8.376 -6.352 1.00 50.08 N +ATOM 2115 NH2 ARG A1022 -5.186 9.718 -7.861 1.00 58.24 N1+ +ATOM 2116 H ARG A1022 -11.894 7.664 -11.248 1.00 26.88 H +ATOM 2117 HA ARG A1022 -10.003 8.685 -11.691 1.00 26.62 H +ATOM 2118 HB3 ARG A1022 -8.038 8.461 -10.224 1.00 26.30 H +ATOM 2119 HB2 ARG A1022 -8.703 7.055 -9.468 1.00 26.30 H +ATOM 2120 HG3 ARG A1022 -10.571 8.380 -8.599 1.00 34.16 H +ATOM 2121 HG2 ARG A1022 -10.035 9.838 -9.374 1.00 34.16 H +ATOM 2122 HD3 ARG A1022 -8.962 8.416 -6.896 1.00 40.37 H +ATOM 2123 HD2 ARG A1022 -9.304 10.086 -7.170 1.00 40.37 H +ATOM 2124 HE ARG A1022 -7.428 10.323 -8.688 1.00 53.37 H +ATOM 2125 HH12 ARG A1022 -5.420 8.065 -5.971 1.00 50.08 H +ATOM 2126 HH11 ARG A1022 -7.160 7.948 -6.033 1.00 50.08 H +ATOM 2127 HH22 ARG A1022 -4.301 9.402 -7.489 1.00 58.24 H +ATOM 2128 HH21 ARG A1022 -5.185 10.345 -8.654 1.00 58.24 H +ATOM 2129 N ASN A1023 -9.418 5.931 -12.935 1.00 25.28 N +ATOM 2130 CA ASN A1023 -8.672 5.162 -13.934 1.00 24.95 C +ATOM 2131 C ASN A1023 -9.615 4.581 -15.005 1.00 27.49 C +ATOM 2132 O ASN A1023 -9.413 3.447 -15.436 1.00 27.32 O +ATOM 2133 CB ASN A1023 -7.816 4.068 -13.232 1.00 27.86 C +ATOM 2134 CG ASN A1023 -6.588 3.573 -14.014 1.00 46.94 C +ATOM 2135 OD1 ASN A1023 -6.243 4.089 -15.076 1.00 37.71 O +ATOM 2136 ND2 ASN A1023 -5.925 2.544 -13.483 1.00 47.99 N +ATOM 2137 H ASN A1023 -10.358 5.614 -12.735 1.00 25.28 H +ATOM 2138 HA ASN A1023 -8.030 5.821 -14.520 1.00 24.95 H +ATOM 2139 HB3 ASN A1023 -8.437 3.219 -12.941 1.00 27.86 H +ATOM 2140 HB2 ASN A1023 -7.417 4.470 -12.303 1.00 27.86 H +ATOM 2141 HD22 ASN A1023 -5.119 2.161 -13.957 1.00 47.99 H +ATOM 2142 HD21 ASN A1023 -6.237 2.118 -12.622 1.00 47.99 H +ATOM 2143 N LEU A1024 -10.648 5.336 -15.411 1.00 23.70 N +ATOM 2144 CA LEU A1024 -11.619 4.879 -16.405 1.00 23.85 C +ATOM 2145 C LEU A1024 -11.026 4.992 -17.823 1.00 29.77 C +ATOM 2146 O LEU A1024 -10.781 6.099 -18.301 1.00 30.30 O +ATOM 2147 CB LEU A1024 -12.947 5.643 -16.212 1.00 23.60 C +ATOM 2148 CG LEU A1024 -14.133 5.123 -17.053 1.00 28.86 C +ATOM 2149 CD1 LEU A1024 -14.514 3.664 -16.722 1.00 29.18 C +ATOM 2150 CD2 LEU A1024 -15.338 6.057 -16.884 1.00 32.57 C +ATOM 2151 H LEU A1024 -10.782 6.267 -15.035 1.00 23.70 H +ATOM 2152 HA LEU A1024 -11.821 3.825 -16.203 1.00 23.85 H +ATOM 2153 HB3 LEU A1024 -12.786 6.698 -16.431 1.00 23.60 H +ATOM 2154 HB2 LEU A1024 -13.227 5.603 -15.157 1.00 23.60 H +ATOM 2155 HG LEU A1024 -13.855 5.162 -18.107 1.00 28.86 H +ATOM 2156 HD11 LEU A1024 -15.581 3.551 -16.533 1.00 29.18 H +ATOM 2157 HD12 LEU A1024 -14.259 2.998 -17.547 1.00 29.18 H +ATOM 2158 HD13 LEU A1024 -14.004 3.295 -15.832 1.00 29.18 H +ATOM 2159 HD21 LEU A1024 -16.218 5.670 -17.397 1.00 32.57 H +ATOM 2160 HD22 LEU A1024 -15.592 6.194 -15.833 1.00 32.57 H +ATOM 2161 HD23 LEU A1024 -15.118 7.041 -17.292 1.00 32.57 H +ATOM 2162 N ALA A1025 -10.781 3.825 -18.437 1.00 25.59 N +ATOM 2163 CA ALA A1025 -10.140 3.647 -19.741 1.00 24.45 C +ATOM 2164 C ALA A1025 -10.518 2.265 -20.300 1.00 24.35 C +ATOM 2165 O ALA A1025 -10.969 1.410 -19.538 1.00 23.60 O +ATOM 2166 CB ALA A1025 -8.617 3.790 -19.578 1.00 25.60 C +ATOM 2167 H ALA A1025 -11.033 2.965 -17.971 1.00 25.59 H +ATOM 2168 HA ALA A1025 -10.493 4.413 -20.432 1.00 24.45 H +ATOM 2169 HB1 ALA A1025 -8.133 3.871 -20.549 1.00 25.60 H +ATOM 2170 HB2 ALA A1025 -8.354 4.689 -19.019 1.00 25.60 H +ATOM 2171 HB3 ALA A1025 -8.180 2.936 -19.064 1.00 25.60 H +ATOM 2172 N ALA A1026 -10.313 2.052 -21.613 1.00 21.93 N +ATOM 2173 CA ALA A1026 -10.616 0.790 -22.307 1.00 22.59 C +ATOM 2174 C ALA A1026 -9.798 -0.431 -21.830 1.00 27.08 C +ATOM 2175 O ALA A1026 -10.290 -1.554 -21.927 1.00 26.36 O +ATOM 2176 CB ALA A1026 -10.453 0.991 -23.819 1.00 24.44 C +ATOM 2177 H ALA A1026 -9.928 2.793 -22.186 1.00 21.93 H +ATOM 2178 HA ALA A1026 -11.668 0.563 -22.117 1.00 22.59 H +ATOM 2179 HB1 ALA A1026 -10.733 0.090 -24.365 1.00 24.44 H +ATOM 2180 HB2 ALA A1026 -11.089 1.800 -24.179 1.00 24.44 H +ATOM 2181 HB3 ALA A1026 -9.423 1.233 -24.083 1.00 24.44 H +ATOM 2182 N ARG A1027 -8.591 -0.185 -21.289 1.00 25.25 N +ATOM 2183 CA ARG A1027 -7.742 -1.139 -20.565 1.00 25.45 C +ATOM 2184 C ARG A1027 -8.425 -1.710 -19.307 1.00 28.29 C +ATOM 2185 O ARG A1027 -8.223 -2.878 -18.976 1.00 27.42 O +ATOM 2186 CB ARG A1027 -6.432 -0.403 -20.184 1.00 27.95 C +ATOM 2187 CG ARG A1027 -5.435 -1.193 -19.307 1.00 42.70 C +ATOM 2188 CD ARG A1027 -4.162 -0.408 -18.947 1.00 56.67 C +ATOM 2189 NE ARG A1027 -3.234 -0.266 -20.085 1.00 69.04 N +ATOM 2190 CZ ARG A1027 -2.191 0.580 -20.180 1.00 82.45 C +ATOM 2191 NH1 ARG A1027 -1.417 0.527 -21.271 1.00 58.12 N +ATOM 2192 NH2 ARG A1027 -1.893 1.468 -19.218 1.00 78.84 N1+ +ATOM 2193 H ARG A1027 -8.243 0.766 -21.316 1.00 25.25 H +ATOM 2194 HA ARG A1027 -7.506 -1.970 -21.231 1.00 25.45 H +ATOM 2195 HB3 ARG A1027 -6.693 0.509 -19.645 1.00 27.95 H +ATOM 2196 HB2 ARG A1027 -5.932 -0.070 -21.091 1.00 27.95 H +ATOM 2197 HG3 ARG A1027 -5.149 -2.068 -19.890 1.00 42.70 H +ATOM 2198 HG2 ARG A1027 -5.880 -1.580 -18.390 1.00 42.70 H +ATOM 2199 HD3 ARG A1027 -3.675 -0.813 -18.060 1.00 56.67 H +ATOM 2200 HD2 ARG A1027 -4.467 0.608 -18.695 1.00 56.67 H +ATOM 2201 HE ARG A1027 -3.396 -0.904 -20.850 1.00 69.04 H +ATOM 2202 HH12 ARG A1027 -0.649 1.172 -21.381 1.00 58.12 H +ATOM 2203 HH11 ARG A1027 -1.615 -0.134 -22.007 1.00 58.12 H +ATOM 2204 HH22 ARG A1027 -1.107 2.094 -19.316 1.00 78.84 H +ATOM 2205 HH21 ARG A1027 -2.462 1.513 -18.385 1.00 78.84 H +ATOM 2206 N ASN A1028 -9.194 -0.846 -18.632 1.00 25.48 N +ATOM 2207 CA ASN A1028 -9.823 -1.077 -17.334 1.00 25.69 C +ATOM 2208 C ASN A1028 -11.317 -1.429 -17.473 1.00 31.11 C +ATOM 2209 O ASN A1028 -11.999 -1.498 -16.454 1.00 31.65 O +ATOM 2210 CB ASN A1028 -9.602 0.176 -16.449 1.00 25.12 C +ATOM 2211 CG ASN A1028 -8.115 0.495 -16.245 1.00 40.47 C +ATOM 2212 OD1 ASN A1028 -7.402 -0.253 -15.588 1.00 35.79 O +ATOM 2213 ND2 ASN A1028 -7.627 1.597 -16.814 1.00 30.20 N +ATOM 2214 H ASN A1028 -9.333 0.079 -19.016 1.00 25.48 H +ATOM 2215 HA ASN A1028 -9.355 -1.930 -16.841 1.00 25.69 H +ATOM 2216 HB3 ASN A1028 -10.038 0.026 -15.461 1.00 25.12 H +ATOM 2217 HB2 ASN A1028 -10.111 1.042 -16.878 1.00 25.12 H +ATOM 2218 HD22 ASN A1028 -6.658 1.847 -16.685 1.00 30.20 H +ATOM 2219 HD21 ASN A1028 -8.239 2.229 -17.310 1.00 30.20 H +ATOM 2220 N VAL A1029 -11.798 -1.668 -18.706 1.00 26.95 N +ATOM 2221 CA VAL A1029 -13.139 -2.175 -18.986 1.00 26.70 C +ATOM 2222 C VAL A1029 -12.988 -3.520 -19.714 1.00 31.33 C +ATOM 2223 O VAL A1029 -12.373 -3.583 -20.778 1.00 31.48 O +ATOM 2224 CB VAL A1029 -13.976 -1.193 -19.852 1.00 30.65 C +ATOM 2225 CG1 VAL A1029 -15.338 -1.776 -20.277 1.00 31.45 C +ATOM 2226 CG2 VAL A1029 -14.220 0.131 -19.105 1.00 29.49 C +ATOM 2227 H VAL A1029 -11.183 -1.583 -19.503 1.00 26.95 H +ATOM 2228 HA VAL A1029 -13.684 -2.346 -18.056 1.00 26.70 H +ATOM 2229 HB VAL A1029 -13.412 -0.960 -20.757 1.00 30.65 H +ATOM 2230 HG11 VAL A1029 -15.924 -1.049 -20.837 1.00 31.45 H +ATOM 2231 HG12 VAL A1029 -15.230 -2.654 -20.910 1.00 31.45 H +ATOM 2232 HG13 VAL A1029 -15.921 -2.070 -19.403 1.00 31.45 H +ATOM 2233 HG21 VAL A1029 -14.744 0.849 -19.734 1.00 29.49 H +ATOM 2234 HG22 VAL A1029 -14.822 -0.027 -18.209 1.00 29.49 H +ATOM 2235 HG23 VAL A1029 -13.291 0.602 -18.790 1.00 29.49 H +ATOM 2236 N LEU A1030 -13.548 -4.562 -19.088 1.00 29.26 N +ATOM 2237 CA LEU A1030 -13.434 -5.968 -19.450 1.00 29.87 C +ATOM 2238 C LEU A1030 -14.733 -6.447 -20.113 1.00 34.28 C +ATOM 2239 O LEU A1030 -15.816 -6.037 -19.705 1.00 33.78 O +ATOM 2240 CB LEU A1030 -13.138 -6.783 -18.169 1.00 30.51 C +ATOM 2241 CG LEU A1030 -11.936 -6.290 -17.328 1.00 34.35 C +ATOM 2242 CD1 LEU A1030 -11.856 -7.064 -16.001 1.00 34.54 C +ATOM 2243 CD2 LEU A1030 -10.610 -6.344 -18.112 1.00 35.67 C +ATOM 2244 H LEU A1030 -14.085 -4.388 -18.246 1.00 29.26 H +ATOM 2245 HA LEU A1030 -12.621 -6.109 -20.154 1.00 29.87 H +ATOM 2246 HB3 LEU A1030 -12.970 -7.825 -18.443 1.00 30.51 H +ATOM 2247 HB2 LEU A1030 -14.023 -6.771 -17.529 1.00 30.51 H +ATOM 2248 HG LEU A1030 -12.099 -5.248 -17.048 1.00 34.35 H +ATOM 2249 HD11 LEU A1030 -10.853 -7.056 -15.576 1.00 34.54 H +ATOM 2250 HD12 LEU A1030 -12.517 -6.617 -15.257 1.00 34.54 H +ATOM 2251 HD13 LEU A1030 -12.155 -8.106 -16.124 1.00 34.54 H +ATOM 2252 HD21 LEU A1030 -9.796 -6.774 -17.533 1.00 35.67 H +ATOM 2253 HD22 LEU A1030 -10.700 -6.943 -19.016 1.00 35.67 H +ATOM 2254 HD23 LEU A1030 -10.295 -5.343 -18.409 1.00 35.67 H +ATOM 2255 N LEU A1031 -14.593 -7.319 -21.118 1.00 30.49 N +ATOM 2256 CA LEU A1031 -15.677 -7.865 -21.925 1.00 32.51 C +ATOM 2257 C LEU A1031 -15.990 -9.291 -21.448 1.00 35.33 C +ATOM 2258 O LEU A1031 -15.113 -10.153 -21.506 1.00 35.33 O +ATOM 2259 CB LEU A1031 -15.209 -7.845 -23.396 1.00 33.91 C +ATOM 2260 CG LEU A1031 -16.302 -8.174 -24.433 1.00 41.72 C +ATOM 2261 CD1 LEU A1031 -17.357 -7.065 -24.522 1.00 42.04 C +ATOM 2262 CD2 LEU A1031 -15.696 -8.439 -25.818 1.00 45.52 C +ATOM 2263 H LEU A1031 -13.662 -7.617 -21.389 1.00 30.49 H +ATOM 2264 HA LEU A1031 -16.567 -7.241 -21.825 1.00 32.51 H +ATOM 2265 HB3 LEU A1031 -14.375 -8.541 -23.507 1.00 33.91 H +ATOM 2266 HB2 LEU A1031 -14.790 -6.866 -23.627 1.00 33.91 H +ATOM 2267 HG LEU A1031 -16.801 -9.093 -24.128 1.00 41.72 H +ATOM 2268 HD11 LEU A1031 -17.957 -7.181 -25.423 1.00 42.04 H +ATOM 2269 HD12 LEU A1031 -18.043 -7.102 -23.679 1.00 42.04 H +ATOM 2270 HD13 LEU A1031 -16.903 -6.074 -24.546 1.00 42.04 H +ATOM 2271 HD21 LEU A1031 -16.156 -9.306 -26.290 1.00 45.52 H +ATOM 2272 HD22 LEU A1031 -15.839 -7.592 -26.491 1.00 45.52 H +ATOM 2273 HD23 LEU A1031 -14.625 -8.629 -25.764 1.00 45.52 H +ATOM 2274 N ASP A1032 -17.230 -9.515 -20.985 1.00 33.70 N +ATOM 2275 CA ASP A1032 -17.712 -10.827 -20.543 1.00 35.49 C +ATOM 2276 C ASP A1032 -18.166 -11.661 -21.755 1.00 42.98 C +ATOM 2277 O ASP A1032 -17.727 -12.798 -21.921 1.00 43.01 O +ATOM 2278 CB ASP A1032 -18.822 -10.678 -19.476 1.00 38.24 C +ATOM 2279 CG ASP A1032 -19.218 -11.987 -18.779 1.00 57.45 C +ATOM 2280 OD1 ASP A1032 -20.169 -12.639 -19.268 1.00 62.50 O +ATOM 2281 OD2 ASP A1032 -18.465 -12.387 -17.864 1.00 62.05 O1- +ATOM 2282 H ASP A1032 -17.907 -8.764 -20.978 1.00 33.70 H +ATOM 2283 HA ASP A1032 -16.879 -11.358 -20.082 1.00 35.49 H +ATOM 2284 HB3 ASP A1032 -19.703 -10.217 -19.924 1.00 38.24 H +ATOM 2285 HB2 ASP A1032 -18.498 -9.962 -18.720 1.00 38.24 H +ATOM 2286 N ASN A1033 -19.010 -11.038 -22.589 1.00 43.24 N +ATOM 2287 CA ASN A1033 -19.496 -11.544 -23.869 1.00 46.44 C +ATOM 2288 C ASN A1033 -19.762 -10.349 -24.801 1.00 51.69 C +ATOM 2289 O ASN A1033 -19.561 -9.203 -24.398 1.00 49.09 O +ATOM 2290 CB ASN A1033 -20.703 -12.502 -23.675 1.00 48.31 C +ATOM 2291 CG ASN A1033 -21.947 -11.875 -23.033 1.00 66.28 C +ATOM 2292 OD1 ASN A1033 -22.671 -11.117 -23.674 1.00 59.86 O +ATOM 2293 ND2 ASN A1033 -22.211 -12.205 -21.767 1.00 59.92 N +ATOM 2294 H ASN A1033 -19.289 -10.090 -22.377 1.00 43.24 H +ATOM 2295 HA ASN A1033 -18.694 -12.117 -24.331 1.00 46.44 H +ATOM 2296 HB3 ASN A1033 -20.389 -13.358 -23.076 1.00 48.31 H +ATOM 2297 HB2 ASN A1033 -21.002 -12.918 -24.638 1.00 48.31 H +ATOM 2298 HD22 ASN A1033 -23.026 -11.828 -21.307 1.00 59.92 H +ATOM 2299 HD21 ASN A1033 -21.579 -12.797 -21.242 1.00 59.92 H +ATOM 2300 N ASP A1034 -20.218 -10.631 -26.032 1.00 52.34 N +ATOM 2301 CA ASP A1034 -20.535 -9.640 -27.073 1.00 53.71 C +ATOM 2302 C ASP A1034 -21.507 -8.516 -26.646 1.00 56.50 C +ATOM 2303 O ASP A1034 -21.409 -7.420 -27.190 1.00 55.06 O +ATOM 2304 CB ASP A1034 -20.990 -10.266 -28.427 1.00 59.25 C +ATOM 2305 CG ASP A1034 -21.924 -11.494 -28.402 1.00 77.62 C +ATOM 2306 OD1 ASP A1034 -22.639 -11.706 -27.397 1.00 79.51 O +ATOM 2307 OD2 ASP A1034 -22.007 -12.140 -29.469 1.00 88.40 O1- +ATOM 2308 H ASP A1034 -20.398 -11.592 -26.284 1.00 52.34 H +ATOM 2309 HA ASP A1034 -19.585 -9.140 -27.273 1.00 53.71 H +ATOM 2310 HB3 ASP A1034 -20.095 -10.532 -28.993 1.00 59.25 H +ATOM 2311 HB2 ASP A1034 -21.495 -9.512 -29.032 1.00 59.25 H +ATOM 2312 N ARG A1035 -22.406 -8.796 -25.687 1.00 52.42 N +ATOM 2313 CA ARG A1035 -23.448 -7.882 -25.216 1.00 52.12 C +ATOM 2314 C ARG A1035 -23.343 -7.580 -23.704 1.00 53.91 C +ATOM 2315 O ARG A1035 -24.336 -7.124 -23.136 1.00 54.42 O +ATOM 2316 CB ARG A1035 -24.835 -8.467 -25.595 1.00 56.06 C +ATOM 2317 CG ARG A1035 -25.086 -8.703 -27.101 1.00 68.03 C +ATOM 2318 CD ARG A1035 -24.897 -7.444 -27.966 1.00 74.26 C +ATOM 2319 NE ARG A1035 -25.309 -7.644 -29.365 1.00 83.22 N +ATOM 2320 CZ ARG A1035 -26.494 -7.332 -29.925 1.00103.41 C +ATOM 2321 NH1 ARG A1035 -27.506 -6.799 -29.222 1.00 95.23 N +ATOM 2322 NH2 ARG A1035 -26.668 -7.561 -31.233 1.00 92.56 N1+ +ATOM 2323 H ARG A1035 -22.419 -9.724 -25.282 1.00 52.42 H +ATOM 2324 HA ARG A1035 -23.344 -6.910 -25.700 1.00 52.12 H +ATOM 2325 HB3 ARG A1035 -25.620 -7.801 -25.237 1.00 56.06 H +ATOM 2326 HB2 ARG A1035 -24.983 -9.410 -25.066 1.00 56.06 H +ATOM 2327 HG3 ARG A1035 -26.057 -9.166 -27.280 1.00 68.03 H +ATOM 2328 HG2 ARG A1035 -24.352 -9.442 -27.423 1.00 68.03 H +ATOM 2329 HD3 ARG A1035 -23.832 -7.242 -28.056 1.00 74.26 H +ATOM 2330 HD2 ARG A1035 -25.331 -6.559 -27.506 1.00 74.26 H +ATOM 2331 HE ARG A1035 -24.607 -8.071 -29.954 1.00 83.22 H +ATOM 2332 HH12 ARG A1035 -28.382 -6.569 -29.667 1.00 95.23 H +ATOM 2333 HH11 ARG A1035 -27.412 -6.662 -28.223 1.00 95.23 H +ATOM 2334 HH22 ARG A1035 -27.544 -7.335 -31.681 1.00 92.56 H +ATOM 2335 HH21 ARG A1035 -25.921 -7.962 -31.782 1.00 92.56 H +ATOM 2336 N LEU A1036 -22.174 -7.803 -23.070 1.00 47.46 N +ATOM 2337 CA LEU A1036 -21.967 -7.538 -21.640 1.00 44.95 C +ATOM 2338 C LEU A1036 -20.533 -7.065 -21.368 1.00 44.87 C +ATOM 2339 O LEU A1036 -19.582 -7.752 -21.739 1.00 44.01 O +ATOM 2340 CB LEU A1036 -22.340 -8.791 -20.812 1.00 46.48 C +ATOM 2341 CG LEU A1036 -22.180 -8.679 -19.274 1.00 50.35 C +ATOM 2342 CD1 LEU A1036 -22.973 -7.502 -18.671 1.00 50.69 C +ATOM 2343 CD2 LEU A1036 -22.529 -10.018 -18.591 1.00 54.50 C +ATOM 2344 H LEU A1036 -21.382 -8.171 -23.579 1.00 47.46 H +ATOM 2345 HA LEU A1036 -22.630 -6.724 -21.343 1.00 44.95 H +ATOM 2346 HB3 LEU A1036 -21.719 -9.617 -21.159 1.00 46.48 H +ATOM 2347 HB2 LEU A1036 -23.369 -9.073 -21.040 1.00 46.48 H +ATOM 2348 HG LEU A1036 -21.127 -8.494 -19.056 1.00 50.35 H +ATOM 2349 HD11 LEU A1036 -23.473 -7.760 -17.737 1.00 50.69 H +ATOM 2350 HD12 LEU A1036 -22.306 -6.670 -18.448 1.00 50.69 H +ATOM 2351 HD13 LEU A1036 -23.741 -7.137 -19.353 1.00 50.69 H +ATOM 2352 HD21 LEU A1036 -21.721 -10.346 -17.938 1.00 54.50 H +ATOM 2353 HD22 LEU A1036 -23.433 -9.959 -17.986 1.00 54.50 H +ATOM 2354 HD23 LEU A1036 -22.691 -10.816 -19.315 1.00 54.50 H +ATOM 2355 N VAL A1037 -20.428 -5.918 -20.680 1.00 38.25 N +ATOM 2356 CA VAL A1037 -19.183 -5.244 -20.316 1.00 36.27 C +ATOM 2357 C VAL A1037 -19.170 -4.944 -18.803 1.00 39.75 C +ATOM 2358 O VAL A1037 -20.229 -4.712 -18.218 1.00 42.27 O +ATOM 2359 CB VAL A1037 -19.016 -3.946 -21.177 1.00 39.78 C +ATOM 2360 CG1 VAL A1037 -19.009 -2.583 -20.456 1.00 38.54 C +ATOM 2361 CG2 VAL A1037 -17.802 -4.070 -22.103 1.00 38.84 C +ATOM 2362 H VAL A1037 -21.272 -5.428 -20.415 1.00 38.25 H +ATOM 2363 HA VAL A1037 -18.349 -5.920 -20.508 1.00 36.27 H +ATOM 2364 HB VAL A1037 -19.873 -3.887 -21.850 1.00 39.78 H +ATOM 2365 HG11 VAL A1037 -18.916 -1.774 -21.181 1.00 38.54 H +ATOM 2366 HG12 VAL A1037 -19.935 -2.413 -19.907 1.00 38.54 H +ATOM 2367 HG13 VAL A1037 -18.179 -2.490 -19.757 1.00 38.54 H +ATOM 2368 HG21 VAL A1037 -17.730 -3.211 -22.767 1.00 38.84 H +ATOM 2369 HG22 VAL A1037 -16.873 -4.154 -21.540 1.00 38.84 H +ATOM 2370 HG23 VAL A1037 -17.890 -4.953 -22.732 1.00 38.84 H +ATOM 2371 N LYS A1038 -17.968 -4.982 -18.204 1.00 33.36 N +ATOM 2372 CA LYS A1038 -17.714 -4.878 -16.766 1.00 33.06 C +ATOM 2373 C LYS A1038 -16.485 -4.002 -16.491 1.00 35.92 C +ATOM 2374 O LYS A1038 -15.436 -4.235 -17.082 1.00 35.20 O +ATOM 2375 CB LYS A1038 -17.479 -6.290 -16.190 1.00 36.83 C +ATOM 2376 CG LYS A1038 -18.749 -7.145 -16.080 1.00 43.54 C +ATOM 2377 CD LYS A1038 -18.421 -8.608 -15.749 1.00 43.25 C +ATOM 2378 CE LYS A1038 -19.663 -9.482 -15.509 1.00 48.33 C +ATOM 2379 NZ LYS A1038 -20.306 -9.193 -14.214 1.00 58.37 N1+ +ATOM 2380 H LYS A1038 -17.149 -5.184 -18.767 1.00 33.36 H +ATOM 2381 HA LYS A1038 -18.574 -4.425 -16.277 1.00 33.06 H +ATOM 2382 HB3 LYS A1038 -17.052 -6.212 -15.188 1.00 36.83 H +ATOM 2383 HB2 LYS A1038 -16.730 -6.807 -16.793 1.00 36.83 H +ATOM 2384 HG3 LYS A1038 -19.317 -7.118 -17.009 1.00 43.54 H +ATOM 2385 HG2 LYS A1038 -19.391 -6.713 -15.312 1.00 43.54 H +ATOM 2386 HD3 LYS A1038 -17.751 -8.642 -14.891 1.00 43.25 H +ATOM 2387 HD2 LYS A1038 -17.852 -9.036 -16.575 1.00 43.25 H +ATOM 2388 HE3 LYS A1038 -19.380 -10.535 -15.514 1.00 48.33 H +ATOM 2389 HE2 LYS A1038 -20.386 -9.341 -16.312 1.00 48.33 H +ATOM 2390 HZ1 LYS A1038 -20.568 -8.218 -14.175 1.00 58.37 H +ATOM 2391 HZ2 LYS A1038 -21.132 -9.766 -14.115 1.00 58.37 H +ATOM 2392 HZ3 LYS A1038 -19.651 -9.405 -13.472 1.00 58.37 H +ATOM 2393 N ILE A1039 -16.614 -3.050 -15.556 1.00 32.33 N +ATOM 2394 CA ILE A1039 -15.529 -2.171 -15.108 1.00 30.26 C +ATOM 2395 C ILE A1039 -14.627 -2.911 -14.094 1.00 36.96 C +ATOM 2396 O ILE A1039 -15.145 -3.519 -13.160 1.00 36.41 O +ATOM 2397 CB ILE A1039 -16.108 -0.894 -14.429 1.00 32.08 C +ATOM 2398 CG1 ILE A1039 -17.001 -0.080 -15.398 1.00 32.40 C +ATOM 2399 CG2 ILE A1039 -15.044 0.034 -13.803 1.00 30.46 C +ATOM 2400 CD1 ILE A1039 -18.035 0.790 -14.673 1.00 32.90 C +ATOM 2401 H ILE A1039 -17.509 -2.910 -15.106 1.00 32.33 H +ATOM 2402 HA ILE A1039 -14.934 -1.867 -15.971 1.00 30.26 H +ATOM 2403 HB ILE A1039 -16.746 -1.235 -13.613 1.00 32.08 H +ATOM 2404 HG13 ILE A1039 -17.551 -0.733 -16.075 1.00 32.40 H +ATOM 2405 HG12 ILE A1039 -16.380 0.544 -16.043 1.00 32.40 H +ATOM 2406 HG21 ILE A1039 -15.498 0.926 -13.372 1.00 30.46 H +ATOM 2407 HG22 ILE A1039 -14.493 -0.448 -12.997 1.00 30.46 H +ATOM 2408 HG23 ILE A1039 -14.320 0.364 -14.550 1.00 30.46 H +ATOM 2409 HD11 ILE A1039 -18.793 1.149 -15.368 1.00 32.90 H +ATOM 2410 HD12 ILE A1039 -18.548 0.231 -13.890 1.00 32.90 H +ATOM 2411 HD13 ILE A1039 -17.570 1.656 -14.208 1.00 32.90 H +ATOM 2412 N GLY A1040 -13.302 -2.826 -14.292 1.00 34.99 N +ATOM 2413 CA GLY A1040 -12.289 -3.434 -13.430 1.00 35.46 C +ATOM 2414 C GLY A1040 -11.231 -2.398 -13.023 1.00 40.57 C +ATOM 2415 O GLY A1040 -11.286 -1.237 -13.431 1.00 40.24 O +ATOM 2416 H GLY A1040 -12.951 -2.287 -15.075 1.00 34.99 H +ATOM 2417 HA3 GLY A1040 -11.814 -4.254 -13.968 1.00 35.46 H +ATOM 2418 HA2 GLY A1040 -12.724 -3.850 -12.522 1.00 35.46 H +ATOM 2419 N ASP A1041 -10.271 -2.859 -12.199 1.00 37.60 N +ATOM 2420 CA ASP A1041 -9.139 -2.132 -11.605 1.00 37.19 C +ATOM 2421 C ASP A1041 -9.620 -0.924 -10.778 1.00 39.90 C +ATOM 2422 O ASP A1041 -9.731 0.180 -11.309 1.00 40.83 O +ATOM 2423 CB ASP A1041 -8.025 -1.778 -12.635 1.00 38.16 C +ATOM 2424 CG ASP A1041 -6.667 -1.263 -12.095 1.00 45.68 C +ATOM 2425 OD1 ASP A1041 -5.762 -1.083 -12.938 1.00 47.53 O +ATOM 2426 OD2 ASP A1041 -6.511 -1.058 -10.870 1.00 46.86 O1- +ATOM 2427 H ASP A1041 -10.325 -3.828 -11.918 1.00 37.60 H +ATOM 2428 HA ASP A1041 -8.695 -2.841 -10.905 1.00 37.19 H +ATOM 2429 HB3 ASP A1041 -8.418 -1.044 -13.339 1.00 38.16 H +ATOM 2430 HB2 ASP A1041 -7.825 -2.662 -13.241 1.00 38.16 H +ATOM 2431 N PHE A1042 -9.874 -1.177 -9.486 1.00 32.99 N +ATOM 2432 CA PHE A1042 -10.252 -0.180 -8.482 1.00 32.48 C +ATOM 2433 C PHE A1042 -9.048 0.246 -7.614 1.00 35.62 C +ATOM 2434 O PHE A1042 -9.241 0.681 -6.480 1.00 35.44 O +ATOM 2435 CB PHE A1042 -11.446 -0.723 -7.659 1.00 35.36 C +ATOM 2436 CG PHE A1042 -12.746 -0.802 -8.444 1.00 36.03 C +ATOM 2437 CD1 PHE A1042 -13.628 0.299 -8.473 1.00 39.47 C +ATOM 2438 CD2 PHE A1042 -12.997 -1.898 -9.298 1.00 37.32 C +ATOM 2439 CE1 PHE A1042 -14.757 0.263 -9.281 1.00 39.56 C +ATOM 2440 CE2 PHE A1042 -14.124 -1.908 -10.107 1.00 40.21 C +ATOM 2441 CZ PHE A1042 -15.004 -0.835 -10.094 1.00 38.02 C +ATOM 2442 H PHE A1042 -9.761 -2.121 -9.143 1.00 32.99 H +ATOM 2443 HA PHE A1042 -10.592 0.732 -8.974 1.00 32.48 H +ATOM 2444 HB3 PHE A1042 -11.630 -0.106 -6.779 1.00 35.36 H +ATOM 2445 HB2 PHE A1042 -11.210 -1.720 -7.281 1.00 35.36 H +ATOM 2446 HD1 PHE A1042 -13.434 1.171 -7.865 1.00 39.47 H +ATOM 2447 HD2 PHE A1042 -12.311 -2.731 -9.331 1.00 37.32 H +ATOM 2448 HE1 PHE A1042 -15.438 1.099 -9.293 1.00 39.56 H +ATOM 2449 HE2 PHE A1042 -14.309 -2.752 -10.753 1.00 40.21 H +ATOM 2450 HZ PHE A1042 -15.878 -0.849 -10.728 1.00 38.02 H +ATOM 2451 N GLY A1043 -7.822 0.119 -8.156 1.00 33.72 N +ATOM 2452 CA GLY A1043 -6.562 0.403 -7.464 1.00 35.61 C +ATOM 2453 C GLY A1043 -6.236 1.898 -7.376 1.00 40.83 C +ATOM 2454 O GLY A1043 -5.336 2.268 -6.627 1.00 42.94 O +ATOM 2455 H GLY A1043 -7.738 -0.245 -9.097 1.00 33.72 H +ATOM 2456 HA3 GLY A1043 -5.756 -0.110 -7.987 1.00 35.61 H +ATOM 2457 HA2 GLY A1043 -6.588 -0.000 -6.454 1.00 35.61 H +ATOM 2458 N LEU A1044 -6.964 2.757 -8.101 1.00 35.95 N +ATOM 2459 CA LEU A1044 -6.868 4.212 -8.002 1.00 35.55 C +ATOM 2460 C LEU A1044 -8.174 4.815 -7.450 1.00 38.20 C +ATOM 2461 O LEU A1044 -8.207 6.019 -7.209 1.00 37.43 O +ATOM 2462 CB LEU A1044 -6.463 4.769 -9.392 1.00 34.71 C +ATOM 2463 CG LEU A1044 -5.546 6.012 -9.370 1.00 41.15 C +ATOM 2464 CD1 LEU A1044 -4.267 5.793 -8.534 1.00 45.80 C +ATOM 2465 CD2 LEU A1044 -5.202 6.468 -10.803 1.00 40.55 C +ATOM 2466 H LEU A1044 -7.669 2.407 -8.738 1.00 35.95 H +ATOM 2467 HA LEU A1044 -6.111 4.481 -7.266 1.00 35.55 H +ATOM 2468 HB3 LEU A1044 -7.359 4.978 -9.980 1.00 34.71 H +ATOM 2469 HB2 LEU A1044 -5.931 3.993 -9.948 1.00 34.71 H +ATOM 2470 HG LEU A1044 -6.111 6.821 -8.906 1.00 41.15 H +ATOM 2471 HD11 LEU A1044 -3.368 6.181 -9.013 1.00 45.80 H +ATOM 2472 HD12 LEU A1044 -4.346 6.292 -7.569 1.00 45.80 H +ATOM 2473 HD13 LEU A1044 -4.091 4.735 -8.341 1.00 45.80 H +ATOM 2474 HD21 LEU A1044 -5.457 7.516 -10.941 1.00 40.55 H +ATOM 2475 HD22 LEU A1044 -4.144 6.362 -11.044 1.00 40.55 H +ATOM 2476 HD23 LEU A1044 -5.746 5.901 -11.558 1.00 40.55 H +ATOM 2477 N ALA A1045 -9.209 3.982 -7.223 1.00 34.45 N +ATOM 2478 CA ALA A1045 -10.511 4.387 -6.698 1.00 35.33 C +ATOM 2479 C ALA A1045 -10.439 4.900 -5.252 1.00 41.48 C +ATOM 2480 O ALA A1045 -9.613 4.431 -4.467 1.00 41.92 O +ATOM 2481 CB ALA A1045 -11.497 3.216 -6.820 1.00 35.84 C +ATOM 2482 H ALA A1045 -9.099 2.998 -7.419 1.00 34.45 H +ATOM 2483 HA ALA A1045 -10.854 5.202 -7.333 1.00 35.33 H +ATOM 2484 HB1 ALA A1045 -12.507 3.520 -6.545 1.00 35.84 H +ATOM 2485 HB2 ALA A1045 -11.536 2.843 -7.844 1.00 35.84 H +ATOM 2486 HB3 ALA A1045 -11.218 2.387 -6.170 1.00 35.84 H +ATOM 2487 N LYS A1046 -11.313 5.867 -4.943 1.00 39.67 N +ATOM 2488 CA LYS A1046 -11.335 6.594 -3.679 1.00 41.51 C +ATOM 2489 C LYS A1046 -12.769 6.933 -3.274 1.00 46.70 C +ATOM 2490 O LYS A1046 -13.584 7.254 -4.135 1.00 45.21 O +ATOM 2491 CB LYS A1046 -10.496 7.886 -3.832 1.00 43.95 C +ATOM 2492 CG LYS A1046 -9.006 7.725 -3.484 1.00 52.94 C +ATOM 2493 CD LYS A1046 -8.701 7.356 -2.018 1.00 61.30 C +ATOM 2494 CE LYS A1046 -9.532 8.134 -0.976 1.00 72.46 C +ATOM 2495 NZ LYS A1046 -9.060 7.912 0.401 1.00 80.50 N1+ +ATOM 2496 H LYS A1046 -11.985 6.167 -5.638 1.00 39.67 H +ATOM 2497 HA LYS A1046 -10.921 5.960 -2.893 1.00 41.51 H +ATOM 2498 HB3 LYS A1046 -10.898 8.679 -3.200 1.00 43.95 H +ATOM 2499 HB2 LYS A1046 -10.597 8.276 -4.845 1.00 43.95 H +ATOM 2500 HG3 LYS A1046 -8.499 8.654 -3.726 1.00 52.94 H +ATOM 2501 HG2 LYS A1046 -8.557 6.980 -4.141 1.00 52.94 H +ATOM 2502 HD3 LYS A1046 -7.640 7.539 -1.844 1.00 61.30 H +ATOM 2503 HD2 LYS A1046 -8.836 6.282 -1.891 1.00 61.30 H +ATOM 2504 HE3 LYS A1046 -10.578 7.837 -1.019 1.00 72.46 H +ATOM 2505 HE2 LYS A1046 -9.499 9.201 -1.183 1.00 72.46 H +ATOM 2506 HZ1 LYS A1046 -8.099 8.211 0.485 1.00 80.50 H +ATOM 2507 HZ2 LYS A1046 -9.635 8.436 1.044 1.00 80.50 H +ATOM 2508 HZ3 LYS A1046 -9.132 6.925 0.616 1.00 80.50 H +ATOM 2509 N ALA A1047 -13.023 6.914 -1.956 1.00 45.97 N +ATOM 2510 CA ALA A1047 -14.239 7.449 -1.350 1.00 47.89 C +ATOM 2511 C ALA A1047 -14.187 8.983 -1.308 1.00 53.43 C +ATOM 2512 O ALA A1047 -13.174 9.547 -0.891 1.00 53.75 O +ATOM 2513 CB ALA A1047 -14.388 6.876 0.067 1.00 51.21 C +ATOM 2514 H ALA A1047 -12.304 6.619 -1.313 1.00 45.97 H +ATOM 2515 HA ALA A1047 -15.102 7.133 -1.938 1.00 47.89 H +ATOM 2516 HB1 ALA A1047 -15.310 7.226 0.534 1.00 51.21 H +ATOM 2517 HB2 ALA A1047 -14.428 5.787 0.048 1.00 51.21 H +ATOM 2518 HB3 ALA A1047 -13.557 7.165 0.711 1.00 51.21 H +ATOM 2519 N VAL A1048 -15.298 9.611 -1.716 1.00 51.14 N +ATOM 2520 CA VAL A1048 -15.535 11.047 -1.614 1.00 52.52 C +ATOM 2521 C VAL A1048 -16.597 11.229 -0.503 1.00 61.61 C +ATOM 2522 O VAL A1048 -17.722 10.765 -0.700 1.00 62.08 O +ATOM 2523 CB VAL A1048 -16.114 11.607 -2.948 1.00 54.59 C +ATOM 2524 CG1 VAL A1048 -16.530 13.092 -2.876 1.00 55.28 C +ATOM 2525 CG2 VAL A1048 -15.135 11.410 -4.114 1.00 51.78 C +ATOM 2526 H VAL A1048 -16.088 9.063 -2.035 1.00 51.14 H +ATOM 2527 HA VAL A1048 -14.610 11.585 -1.415 1.00 52.52 H +ATOM 2528 HB VAL A1048 -17.003 11.032 -3.204 1.00 54.59 H +ATOM 2529 HG11 VAL A1048 -16.861 13.457 -3.849 1.00 55.28 H +ATOM 2530 HG12 VAL A1048 -17.357 13.256 -2.187 1.00 55.28 H +ATOM 2531 HG13 VAL A1048 -15.699 13.722 -2.555 1.00 55.28 H +ATOM 2532 HG21 VAL A1048 -15.521 11.853 -5.033 1.00 51.78 H +ATOM 2533 HG22 VAL A1048 -14.167 11.868 -3.908 1.00 51.78 H +ATOM 2534 HG23 VAL A1048 -14.975 10.351 -4.307 1.00 51.78 H +ATOM 2535 N PRO A1049 -16.236 11.864 0.641 1.00 62.00 N +ATOM 2536 CA PRO A1049 -17.184 12.176 1.737 1.00 66.09 C +ATOM 2537 C PRO A1049 -18.459 12.905 1.278 1.00 73.83 C +ATOM 2538 O PRO A1049 -18.379 13.730 0.371 1.00 71.64 O +ATOM 2539 CB PRO A1049 -16.360 13.056 2.691 1.00 69.51 C +ATOM 2540 CG PRO A1049 -14.922 12.638 2.458 1.00 71.48 C +ATOM 2541 CD PRO A1049 -14.889 12.341 0.967 1.00 63.48 C +ATOM 2542 HA PRO A1049 -17.442 11.236 2.228 1.00 66.09 H +ATOM 2543 HB3 PRO A1049 -16.661 12.943 3.733 1.00 69.51 H +ATOM 2544 HB2 PRO A1049 -16.469 14.109 2.431 1.00 69.51 H +ATOM 2545 HG3 PRO A1049 -14.718 11.723 3.016 1.00 71.48 H +ATOM 2546 HG2 PRO A1049 -14.195 13.390 2.766 1.00 71.48 H +ATOM 2547 HD2 PRO A1049 -14.690 13.250 0.396 1.00 63.48 H +ATOM 2548 HD3 PRO A1049 -14.110 11.611 0.746 1.00 63.48 H +ATOM 2549 N GLU A1050 -19.602 12.569 1.895 1.00 75.69 N +ATOM 2550 CA GLU A1050 -20.946 13.047 1.546 1.00 77.51 C +ATOM 2551 C GLU A1050 -21.137 14.581 1.530 1.00 84.15 C +ATOM 2552 O GLU A1050 -21.986 15.059 0.779 1.00 83.15 O +ATOM 2553 CB GLU A1050 -22.008 12.341 2.426 1.00 82.22 C +ATOM 2554 CG GLU A1050 -21.885 12.532 3.963 1.00 97.93 C +ATOM 2555 CD GLU A1050 -20.916 11.603 4.721 1.00120.70 C +ATOM 2556 OE1 GLU A1050 -20.359 10.662 4.111 1.00108.26 O +ATOM 2557 OE2 GLU A1050 -20.744 11.858 5.932 1.00119.67 O1- +ATOM 2558 H GLU A1050 -19.579 11.872 2.631 1.00 75.69 H +ATOM 2559 HA GLU A1050 -21.125 12.712 0.524 1.00 77.51 H +ATOM 2560 HB3 GLU A1050 -22.050 11.282 2.167 1.00 82.22 H +ATOM 2561 HB2 GLU A1050 -22.989 12.719 2.132 1.00 82.22 H +ATOM 2562 HG3 GLU A1050 -22.872 12.366 4.398 1.00 97.93 H +ATOM 2563 HG2 GLU A1050 -21.638 13.568 4.194 1.00 97.93 H +ATOM 2564 N GLY A1051 -20.338 15.319 2.321 1.00 83.36 N +ATOM 2565 CA GLY A1051 -20.349 16.784 2.369 1.00 84.58 C +ATOM 2566 C GLY A1051 -19.399 17.422 1.337 1.00 86.36 C +ATOM 2567 O GLY A1051 -19.389 18.646 1.220 1.00 86.86 O +ATOM 2568 H GLY A1051 -19.670 14.844 2.911 1.00 83.36 H +ATOM 2569 HA3 GLY A1051 -20.033 17.094 3.366 1.00 84.58 H +ATOM 2570 HA2 GLY A1051 -21.358 17.172 2.226 1.00 84.58 H +ATOM 2571 N HIS A1052 -18.603 16.617 0.612 1.00 79.97 N +ATOM 2572 CA HIS A1052 -17.629 17.044 -0.396 1.00 76.91 C +ATOM 2573 C HIS A1052 -18.094 16.595 -1.790 1.00 76.64 C +ATOM 2574 O HIS A1052 -18.787 15.585 -1.914 1.00 75.70 O +ATOM 2575 CB HIS A1052 -16.251 16.409 -0.088 1.00 77.26 C +ATOM 2576 CG HIS A1052 -15.567 16.850 1.187 1.00 83.91 C +ATOM 2577 ND1 HIS A1052 -16.152 16.768 2.440 1.00 88.78 N +ATOM 2578 CD2 HIS A1052 -14.313 17.378 1.406 1.00 86.52 C +ATOM 2579 CE1 HIS A1052 -15.265 17.223 3.327 1.00 90.57 C +ATOM 2580 NE2 HIS A1052 -14.124 17.610 2.771 1.00 89.68 N +ATOM 2581 H HIS A1052 -18.692 15.614 0.718 1.00 79.97 H +ATOM 2582 HA HIS A1052 -17.523 18.131 -0.401 1.00 76.91 H +ATOM 2583 HB3 HIS A1052 -15.563 16.629 -0.906 1.00 77.26 H +ATOM 2584 HB2 HIS A1052 -16.332 15.322 -0.062 1.00 77.26 H +ATOM 2585 HD1 HIS A1052 -17.082 16.431 2.642 1.00 88.78 H +ATOM 2586 HD2 HIS A1052 -13.535 17.600 0.692 1.00 86.52 H +ATOM 2587 HE1 HIS A1052 -15.456 17.273 4.389 1.00 90.57 H +ATOM 2588 N GLU A1053 -17.659 17.337 -2.818 1.00 70.38 N +ATOM 2589 CA GLU A1053 -17.883 17.022 -4.230 1.00 67.41 C +ATOM 2590 C GLU A1053 -16.584 16.601 -4.949 1.00 65.39 C +ATOM 2591 O GLU A1053 -16.664 16.257 -6.128 1.00 62.86 O +ATOM 2592 CB GLU A1053 -18.593 18.212 -4.927 1.00 69.51 C +ATOM 2593 CG GLU A1053 -17.779 19.512 -5.135 1.00 81.78 C +ATOM 2594 CD GLU A1053 -17.774 20.453 -3.921 1.00109.48 C +ATOM 2595 OE1 GLU A1053 -16.893 20.272 -3.050 1.00107.26 O +ATOM 2596 OE2 GLU A1053 -18.640 21.354 -3.893 1.00107.68 O1- +ATOM 2597 H GLU A1053 -17.139 18.188 -2.639 1.00 70.38 H +ATOM 2598 HA GLU A1053 -18.554 16.164 -4.313 1.00 67.41 H +ATOM 2599 HB3 GLU A1053 -19.513 18.442 -4.385 1.00 69.51 H +ATOM 2600 HB2 GLU A1053 -18.934 17.872 -5.906 1.00 69.51 H +ATOM 2601 HG3 GLU A1053 -18.205 20.053 -5.981 1.00 81.78 H +ATOM 2602 HG2 GLU A1053 -16.758 19.288 -5.435 1.00 81.78 H +ATOM 2603 N TYR A1054 -15.432 16.620 -4.250 1.00 59.91 N +ATOM 2604 CA TYR A1054 -14.128 16.231 -4.792 1.00 57.06 C +ATOM 2605 C TYR A1054 -13.225 15.603 -3.718 1.00 59.88 C +ATOM 2606 O TYR A1054 -13.480 15.733 -2.520 1.00 61.73 O +ATOM 2607 CB TYR A1054 -13.443 17.442 -5.481 1.00 57.75 C +ATOM 2608 CG TYR A1054 -12.910 18.540 -4.568 1.00 61.72 C +ATOM 2609 CD1 TYR A1054 -13.741 19.618 -4.206 1.00 65.51 C +ATOM 2610 CD2 TYR A1054 -11.587 18.494 -4.077 1.00 63.03 C +ATOM 2611 CE1 TYR A1054 -13.273 20.625 -3.342 1.00 68.28 C +ATOM 2612 CE2 TYR A1054 -11.118 19.497 -3.207 1.00 66.37 C +ATOM 2613 CZ TYR A1054 -11.960 20.564 -2.838 1.00 76.35 C +ATOM 2614 OH TYR A1054 -11.500 21.539 -2.001 1.00 81.80 O +ATOM 2615 H TYR A1054 -15.438 16.902 -3.281 1.00 59.91 H +ATOM 2616 HA TYR A1054 -14.295 15.452 -5.536 1.00 57.06 H +ATOM 2617 HB3 TYR A1054 -14.127 17.883 -6.202 1.00 57.75 H +ATOM 2618 HB2 TYR A1054 -12.603 17.084 -6.077 1.00 57.75 H +ATOM 2619 HD1 TYR A1054 -14.747 19.671 -4.589 1.00 65.51 H +ATOM 2620 HD2 TYR A1054 -10.931 17.684 -4.358 1.00 63.03 H +ATOM 2621 HE1 TYR A1054 -13.928 21.440 -3.069 1.00 68.28 H +ATOM 2622 HE2 TYR A1054 -10.112 19.450 -2.823 1.00 66.37 H +ATOM 2623 HH TYR A1054 -12.176 22.187 -1.785 1.00 81.80 H +ATOM 2624 N TYR A1055 -12.149 14.975 -4.212 1.00 53.09 N +ATOM 2625 CA TYR A1055 -11.007 14.471 -3.457 1.00 53.10 C +ATOM 2626 C TYR A1055 -9.726 15.055 -4.077 1.00 56.32 C +ATOM 2627 O TYR A1055 -9.573 14.988 -5.298 1.00 53.18 O +ATOM 2628 CB TYR A1055 -11.033 12.925 -3.512 1.00 53.04 C +ATOM 2629 CG TYR A1055 -9.744 12.229 -3.105 1.00 55.26 C +ATOM 2630 CD1 TYR A1055 -9.403 12.116 -1.742 1.00 59.33 C +ATOM 2631 CD2 TYR A1055 -8.864 11.731 -4.090 1.00 54.82 C +ATOM 2632 CE1 TYR A1055 -8.189 11.509 -1.366 1.00 60.69 C +ATOM 2633 CE2 TYR A1055 -7.648 11.129 -3.714 1.00 56.92 C +ATOM 2634 CZ TYR A1055 -7.317 11.005 -2.350 1.00 68.28 C +ATOM 2635 OH TYR A1055 -6.152 10.396 -1.981 1.00 72.13 O +ATOM 2636 H TYR A1055 -12.056 14.902 -5.217 1.00 53.09 H +ATOM 2637 HA TYR A1055 -11.071 14.792 -2.416 1.00 53.10 H +ATOM 2638 HB3 TYR A1055 -11.259 12.613 -4.532 1.00 53.04 H +ATOM 2639 HB2 TYR A1055 -11.853 12.545 -2.902 1.00 53.04 H +ATOM 2640 HD1 TYR A1055 -10.066 12.505 -0.983 1.00 59.33 H +ATOM 2641 HD2 TYR A1055 -9.109 11.827 -5.138 1.00 54.82 H +ATOM 2642 HE1 TYR A1055 -7.931 11.427 -0.320 1.00 60.69 H +ATOM 2643 HE2 TYR A1055 -6.979 10.757 -4.475 1.00 56.92 H +ATOM 2644 HH TYR A1055 -5.609 10.143 -2.731 1.00 72.13 H +ATOM 2645 N ARG A1056 -8.817 15.579 -3.235 1.00 56.46 N +ATOM 2646 CA ARG A1056 -7.489 16.027 -3.666 1.00 57.19 C +ATOM 2647 C ARG A1056 -6.566 14.824 -3.911 1.00 61.89 C +ATOM 2648 O ARG A1056 -6.398 13.993 -3.019 1.00 62.29 O +ATOM 2649 CB ARG A1056 -6.850 16.976 -2.627 1.00 60.29 C +ATOM 2650 CG ARG A1056 -6.976 18.462 -2.999 1.00 71.82 C +ATOM 2651 CD ARG A1056 -6.155 19.357 -2.056 1.00 85.08 C +ATOM 2652 NE ARG A1056 -6.336 20.793 -2.326 1.00 93.43 N +ATOM 2653 CZ ARG A1056 -7.282 21.607 -1.821 1.00108.81 C +ATOM 2654 NH1 ARG A1056 -8.250 21.157 -1.008 1.00 96.57 N +ATOM 2655 NH2 ARG A1056 -7.252 22.907 -2.136 1.00 96.30 N1+ +ATOM 2656 H ARG A1056 -8.994 15.588 -2.241 1.00 56.46 H +ATOM 2657 HA ARG A1056 -7.612 16.564 -4.604 1.00 57.19 H +ATOM 2658 HB3 ARG A1056 -5.781 16.771 -2.542 1.00 60.29 H +ATOM 2659 HB2 ARG A1056 -7.256 16.789 -1.632 1.00 60.29 H +ATOM 2660 HG3 ARG A1056 -8.009 18.791 -3.096 1.00 71.82 H +ATOM 2661 HG2 ARG A1056 -6.539 18.558 -3.995 1.00 71.82 H +ATOM 2662 HD3 ARG A1056 -5.101 19.189 -2.278 1.00 85.08 H +ATOM 2663 HD2 ARG A1056 -6.280 19.090 -1.006 1.00 85.08 H +ATOM 2664 HE ARG A1056 -5.661 21.191 -2.965 1.00 93.43 H +ATOM 2665 HH12 ARG A1056 -8.966 21.778 -0.657 1.00 96.57 H +ATOM 2666 HH11 ARG A1056 -8.277 20.181 -0.750 1.00 96.57 H +ATOM 2667 HH22 ARG A1056 -7.936 23.542 -1.749 1.00 96.30 H +ATOM 2668 HH21 ARG A1056 -6.504 23.276 -2.706 1.00 96.30 H +ATOM 2669 N VAL A1057 -5.959 14.797 -5.106 1.00 58.85 N +ATOM 2670 CA VAL A1057 -5.003 13.780 -5.542 1.00 59.44 C +ATOM 2671 C VAL A1057 -3.557 14.281 -5.359 1.00 68.20 C +ATOM 2672 O VAL A1057 -3.329 15.483 -5.206 1.00 69.34 O +ATOM 2673 CB VAL A1057 -5.225 13.404 -7.038 1.00 60.80 C +ATOM 2674 CG1 VAL A1057 -6.682 12.977 -7.283 1.00 59.13 C +ATOM 2675 CG2 VAL A1057 -4.790 14.446 -8.089 1.00 60.31 C +ATOM 2676 H VAL A1057 -6.124 15.552 -5.759 1.00 58.85 H +ATOM 2677 HA VAL A1057 -5.125 12.877 -4.941 1.00 59.44 H +ATOM 2678 HB VAL A1057 -4.617 12.519 -7.229 1.00 60.80 H +ATOM 2679 HG11 VAL A1057 -6.821 12.608 -8.299 1.00 59.13 H +ATOM 2680 HG12 VAL A1057 -6.979 12.188 -6.594 1.00 59.13 H +ATOM 2681 HG13 VAL A1057 -7.368 13.812 -7.139 1.00 59.13 H +ATOM 2682 HG21 VAL A1057 -4.998 14.090 -9.099 1.00 60.31 H +ATOM 2683 HG22 VAL A1057 -5.330 15.380 -7.961 1.00 60.31 H +ATOM 2684 HG23 VAL A1057 -3.723 14.663 -8.049 1.00 60.31 H +ATOM 2685 N ARG A1058 -2.607 13.334 -5.385 1.00 67.56 N +ATOM 2686 CA ARG A1058 -1.172 13.599 -5.282 1.00 70.37 C +ATOM 2687 C ARG A1058 -0.536 13.789 -6.667 1.00 74.80 C +ATOM 2688 O ARG A1058 -1.065 13.300 -7.667 1.00 72.29 O +ATOM 2689 CB ARG A1058 -0.482 12.425 -4.555 1.00 73.21 C +ATOM 2690 CG ARG A1058 -1.096 12.069 -3.190 1.00 89.24 C +ATOM 2691 CD ARG A1058 -0.267 11.012 -2.441 1.00105.70 C +ATOM 2692 NE ARG A1058 -0.997 10.452 -1.291 1.00119.40 N +ATOM 2693 CZ ARG A1058 -1.790 9.362 -1.293 1.00134.49 C +ATOM 2694 NH1 ARG A1058 -1.990 8.620 -2.394 1.00120.12 N +ATOM 2695 NH2 ARG A1058 -2.400 9.001 -0.157 1.00122.85 N1+ +ATOM 2696 H ARG A1058 -2.868 12.371 -5.537 1.00 67.56 H +ATOM 2697 HA ARG A1058 -1.012 14.506 -4.696 1.00 70.37 H +ATOM 2698 HB3 ARG A1058 0.576 12.656 -4.421 1.00 73.21 H +ATOM 2699 HB2 ARG A1058 -0.516 11.536 -5.188 1.00 73.21 H +ATOM 2700 HG3 ARG A1058 -2.147 11.782 -3.259 1.00 89.24 H +ATOM 2701 HG2 ARG A1058 -1.072 12.989 -2.605 1.00 89.24 H +ATOM 2702 HD3 ARG A1058 0.578 11.523 -1.980 1.00105.70 H +ATOM 2703 HD2 ARG A1058 0.168 10.261 -3.102 1.00105.70 H +ATOM 2704 HE ARG A1058 -0.910 10.974 -0.431 1.00119.40 H +ATOM 2705 HH12 ARG A1058 -2.574 7.793 -2.360 1.00120.12 H +ATOM 2706 HH11 ARG A1058 -1.525 8.863 -3.256 1.00120.12 H +ATOM 2707 HH22 ARG A1058 -2.991 8.183 -0.135 1.00122.85 H +ATOM 2708 HH21 ARG A1058 -2.266 9.536 0.689 1.00122.85 H +ATOM 2709 N GLU A1059 0.632 14.450 -6.673 1.00 74.50 N +ATOM 2710 CA GLU A1059 1.553 14.525 -7.807 1.00 74.23 C +ATOM 2711 C GLU A1059 2.254 13.163 -7.955 1.00 77.46 C +ATOM 2712 O GLU A1059 3.042 12.795 -7.083 1.00 79.77 O +ATOM 2713 CB GLU A1059 2.560 15.668 -7.559 1.00 78.25 C +ATOM 2714 CG GLU A1059 1.890 17.055 -7.402 1.00 89.76 C +ATOM 2715 CD GLU A1059 2.828 18.212 -7.020 1.00113.50 C +ATOM 2716 OE1 GLU A1059 4.065 18.018 -7.008 1.00107.60 O +ATOM 2717 OE2 GLU A1059 2.274 19.295 -6.731 1.00107.56 O1- +ATOM 2718 H GLU A1059 0.989 14.826 -5.807 1.00 74.50 H +ATOM 2719 HA GLU A1059 0.987 14.746 -8.714 1.00 74.23 H +ATOM 2720 HB3 GLU A1059 3.270 15.702 -8.387 1.00 78.25 H +ATOM 2721 HB2 GLU A1059 3.147 15.447 -6.666 1.00 78.25 H +ATOM 2722 HG3 GLU A1059 1.105 17.011 -6.647 1.00 89.76 H +ATOM 2723 HG2 GLU A1059 1.396 17.315 -8.337 1.00 89.76 H +ATOM 2724 N ASP A1060 1.895 12.418 -9.011 1.00 70.23 N +ATOM 2725 CA ASP A1060 2.226 11.001 -9.159 1.00 68.85 C +ATOM 2726 C ASP A1060 2.470 10.671 -10.644 1.00 68.50 C +ATOM 2727 O ASP A1060 1.778 11.208 -11.510 1.00 66.16 O +ATOM 2728 CB ASP A1060 1.134 10.133 -8.477 1.00 69.42 C +ATOM 2729 CG ASP A1060 1.308 8.615 -8.603 1.00 81.45 C +ATOM 2730 OD1 ASP A1060 0.565 8.022 -9.413 1.00 81.04 O +ATOM 2731 OD2 ASP A1060 2.259 8.097 -7.975 1.00 89.83 O1- +ATOM 2732 H ASP A1060 1.248 12.789 -9.693 1.00 70.23 H +ATOM 2733 HA ASP A1060 3.171 10.811 -8.645 1.00 68.85 H +ATOM 2734 HB3 ASP A1060 0.147 10.430 -8.837 1.00 69.42 H +ATOM 2735 HB2 ASP A1060 1.112 10.376 -7.413 1.00 69.42 H +ATOM 2736 N GLY A1061 3.463 9.803 -10.905 1.00 63.47 N +ATOM 2737 CA GLY A1061 3.919 9.458 -12.253 1.00 61.92 C +ATOM 2738 C GLY A1061 3.025 8.411 -12.936 1.00 61.80 C +ATOM 2739 O GLY A1061 2.926 8.424 -14.163 1.00 61.49 O +ATOM 2740 H GLY A1061 3.960 9.380 -10.133 1.00 63.47 H +ATOM 2741 HA3 GLY A1061 4.930 9.056 -12.184 1.00 61.92 H +ATOM 2742 HA2 GLY A1061 3.980 10.354 -12.873 1.00 61.92 H +ATOM 2743 N ASP A1062 2.365 7.532 -12.159 1.00 55.28 N +ATOM 2744 CA ASP A1062 1.462 6.477 -12.645 1.00 52.23 C +ATOM 2745 C ASP A1062 0.018 6.962 -12.892 1.00 50.35 C +ATOM 2746 O ASP A1062 -0.809 6.161 -13.330 1.00 49.00 O +ATOM 2747 CB ASP A1062 1.471 5.215 -11.744 1.00 54.90 C +ATOM 2748 CG ASP A1062 2.871 4.616 -11.542 1.00 73.36 C +ATOM 2749 OD1 ASP A1062 3.348 3.959 -12.494 1.00 75.14 O +ATOM 2750 OD2 ASP A1062 3.499 4.932 -10.507 1.00 82.10 O1- +ATOM 2751 H ASP A1062 2.477 7.575 -11.155 1.00 55.28 H +ATOM 2752 HA ASP A1062 1.824 6.157 -13.624 1.00 52.23 H +ATOM 2753 HB3 ASP A1062 0.835 4.437 -12.171 1.00 54.90 H +ATOM 2754 HB2 ASP A1062 1.050 5.454 -10.766 1.00 54.90 H +ATOM 2755 N SER A1063 -0.262 8.254 -12.645 1.00 43.08 N +ATOM 2756 CA SER A1063 -1.541 8.912 -12.926 1.00 39.71 C +ATOM 2757 C SER A1063 -1.834 8.917 -14.445 1.00 36.74 C +ATOM 2758 O SER A1063 -0.950 9.325 -15.200 1.00 35.65 O +ATOM 2759 CB SER A1063 -1.451 10.363 -12.416 1.00 44.05 C +ATOM 2760 OG SER A1063 -1.561 10.394 -11.008 1.00 56.19 O +ATOM 2761 H SER A1063 0.470 8.845 -12.278 1.00 43.08 H +ATOM 2762 HA SER A1063 -2.308 8.385 -12.360 1.00 39.71 H +ATOM 2763 HB3 SER A1063 -2.274 10.959 -12.814 1.00 44.05 H +ATOM 2764 HB2 SER A1063 -0.529 10.848 -12.736 1.00 44.05 H +ATOM 2765 HG SER A1063 -0.820 9.909 -10.633 1.00 56.19 H +ATOM 2766 N PRO A1064 -3.031 8.450 -14.878 1.00 30.99 N +ATOM 2767 CA PRO A1064 -3.409 8.434 -16.303 1.00 29.59 C +ATOM 2768 C PRO A1064 -3.804 9.836 -16.823 1.00 32.01 C +ATOM 2769 O PRO A1064 -4.987 10.123 -17.008 1.00 29.67 O +ATOM 2770 CB PRO A1064 -4.545 7.398 -16.344 1.00 29.56 C +ATOM 2771 CG PRO A1064 -5.231 7.543 -14.998 1.00 33.51 C +ATOM 2772 CD PRO A1064 -4.076 7.842 -14.049 1.00 30.17 C +ATOM 2773 HA PRO A1064 -2.580 8.066 -16.908 1.00 29.59 H +ATOM 2774 HB3 PRO A1064 -4.115 6.399 -16.418 1.00 29.56 H +ATOM 2775 HB2 PRO A1064 -5.230 7.518 -17.184 1.00 29.56 H +ATOM 2776 HG3 PRO A1064 -5.811 6.671 -14.703 1.00 33.51 H +ATOM 2777 HG2 PRO A1064 -5.910 8.392 -15.038 1.00 33.51 H +ATOM 2778 HD2 PRO A1064 -4.396 8.489 -13.233 1.00 30.17 H +ATOM 2779 HD3 PRO A1064 -3.692 6.913 -13.624 1.00 30.17 H +ATOM 2780 N VAL A1065 -2.786 10.690 -17.026 1.00 29.66 N +ATOM 2781 CA VAL A1065 -2.902 12.106 -17.382 1.00 29.04 C +ATOM 2782 C VAL A1065 -3.565 12.389 -18.746 1.00 30.30 C +ATOM 2783 O VAL A1065 -4.209 13.429 -18.873 1.00 30.19 O +ATOM 2784 CB VAL A1065 -1.522 12.819 -17.348 1.00 34.62 C +ATOM 2785 CG1 VAL A1065 -0.968 12.886 -15.914 1.00 34.92 C +ATOM 2786 CG2 VAL A1065 -0.478 12.246 -18.328 1.00 35.44 C +ATOM 2787 H VAL A1065 -1.845 10.366 -16.844 1.00 29.66 H +ATOM 2788 HA VAL A1065 -3.532 12.562 -16.618 1.00 29.04 H +ATOM 2789 HB VAL A1065 -1.673 13.855 -17.651 1.00 34.62 H +ATOM 2790 HG11 VAL A1065 -0.022 13.424 -15.880 1.00 34.92 H +ATOM 2791 HG12 VAL A1065 -1.661 13.400 -15.247 1.00 34.92 H +ATOM 2792 HG13 VAL A1065 -0.786 11.895 -15.503 1.00 34.92 H +ATOM 2793 HG21 VAL A1065 0.477 12.764 -18.227 1.00 35.44 H +ATOM 2794 HG22 VAL A1065 -0.296 11.188 -18.145 1.00 35.44 H +ATOM 2795 HG23 VAL A1065 -0.788 12.357 -19.367 1.00 35.44 H +ATOM 2796 N PHE A1066 -3.447 11.462 -19.715 1.00 25.62 N +ATOM 2797 CA PHE A1066 -4.084 11.560 -21.034 1.00 24.82 C +ATOM 2798 C PHE A1066 -5.578 11.163 -21.042 1.00 26.45 C +ATOM 2799 O PHE A1066 -6.220 11.285 -22.086 1.00 25.78 O +ATOM 2800 CB PHE A1066 -3.251 10.779 -22.074 1.00 26.47 C +ATOM 2801 CG PHE A1066 -1.844 11.322 -22.286 1.00 27.98 C +ATOM 2802 CD1 PHE A1066 -1.649 12.632 -22.772 1.00 31.46 C +ATOM 2803 CD2 PHE A1066 -0.713 10.538 -21.974 1.00 29.97 C +ATOM 2804 CE1 PHE A1066 -0.365 13.135 -22.936 1.00 33.77 C +ATOM 2805 CE2 PHE A1066 0.563 11.055 -22.150 1.00 33.43 C +ATOM 2806 CZ PHE A1066 0.737 12.349 -22.625 1.00 32.31 C +ATOM 2807 H PHE A1066 -2.904 10.626 -19.541 1.00 25.62 H +ATOM 2808 HA PHE A1066 -4.075 12.609 -21.337 1.00 24.82 H +ATOM 2809 HB3 PHE A1066 -3.756 10.782 -23.040 1.00 26.47 H +ATOM 2810 HB2 PHE A1066 -3.184 9.732 -21.779 1.00 26.47 H +ATOM 2811 HD1 PHE A1066 -2.496 13.256 -23.012 1.00 31.46 H +ATOM 2812 HD2 PHE A1066 -0.829 9.530 -21.608 1.00 29.97 H +ATOM 2813 HE1 PHE A1066 -0.222 14.140 -23.303 1.00 33.77 H +ATOM 2814 HE2 PHE A1066 1.426 10.449 -21.914 1.00 33.43 H +ATOM 2815 HZ PHE A1066 1.733 12.745 -22.753 1.00 32.31 H +ATOM 2816 N TRP A1067 -6.110 10.745 -19.880 1.00 22.72 N +ATOM 2817 CA TRP A1067 -7.531 10.523 -19.603 1.00 23.65 C +ATOM 2818 C TRP A1067 -8.099 11.559 -18.615 1.00 26.48 C +ATOM 2819 O TRP A1067 -9.285 11.467 -18.304 1.00 25.01 O +ATOM 2820 CB TRP A1067 -7.743 9.090 -19.059 1.00 21.85 C +ATOM 2821 CG TRP A1067 -7.607 7.990 -20.066 1.00 23.25 C +ATOM 2822 CD1 TRP A1067 -8.642 7.341 -20.645 1.00 25.76 C +ATOM 2823 CD2 TRP A1067 -6.398 7.444 -20.678 1.00 23.75 C +ATOM 2824 NE1 TRP A1067 -8.162 6.446 -21.576 1.00 25.21 N +ATOM 2825 CE2 TRP A1067 -6.788 6.472 -21.648 1.00 27.61 C +ATOM 2826 CE3 TRP A1067 -5.010 7.675 -20.529 1.00 25.53 C +ATOM 2827 CZ2 TRP A1067 -5.855 5.779 -22.436 1.00 27.61 C +ATOM 2828 CZ3 TRP A1067 -4.067 6.991 -21.323 1.00 27.51 C +ATOM 2829 CH2 TRP A1067 -4.488 6.046 -22.275 1.00 28.26 C +ATOM 2830 H TRP A1067 -5.501 10.650 -19.078 1.00 22.72 H +ATOM 2831 HA TRP A1067 -8.122 10.631 -20.512 1.00 23.65 H +ATOM 2832 HB3 TRP A1067 -8.742 8.988 -18.631 1.00 21.85 H +ATOM 2833 HB2 TRP A1067 -7.054 8.892 -18.237 1.00 21.85 H +ATOM 2834 HD1 TRP A1067 -9.684 7.521 -20.419 1.00 25.76 H +ATOM 2835 HE1 TRP A1067 -8.763 5.856 -22.143 1.00 25.21 H +ATOM 2836 HE3 TRP A1067 -4.665 8.393 -19.801 1.00 25.53 H +ATOM 2837 HZ2 TRP A1067 -6.179 5.054 -23.162 1.00 27.61 H +ATOM 2838 HZ3 TRP A1067 -3.015 7.191 -21.200 1.00 27.51 H +ATOM 2839 HH2 TRP A1067 -3.763 5.530 -22.885 1.00 28.26 H +ATOM 2840 N TYR A1068 -7.272 12.497 -18.115 1.00 25.06 N +ATOM 2841 CA TYR A1068 -7.642 13.429 -17.048 1.00 24.40 C +ATOM 2842 C TYR A1068 -8.088 14.804 -17.559 1.00 29.09 C +ATOM 2843 O TYR A1068 -7.539 15.325 -18.530 1.00 29.03 O +ATOM 2844 CB TYR A1068 -6.472 13.562 -16.048 1.00 25.40 C +ATOM 2845 CG TYR A1068 -6.380 12.528 -14.932 1.00 26.29 C +ATOM 2846 CD1 TYR A1068 -7.163 11.349 -14.925 1.00 27.65 C +ATOM 2847 CD2 TYR A1068 -5.512 12.778 -13.847 1.00 27.90 C +ATOM 2848 CE1 TYR A1068 -7.106 10.464 -13.835 1.00 28.32 C +ATOM 2849 CE2 TYR A1068 -5.448 11.886 -12.759 1.00 27.93 C +ATOM 2850 CZ TYR A1068 -6.256 10.733 -12.747 1.00 32.15 C +ATOM 2851 OH TYR A1068 -6.220 9.881 -11.685 1.00 34.10 O +ATOM 2852 H TYR A1068 -6.314 12.541 -18.432 1.00 25.06 H +ATOM 2853 HA TYR A1068 -8.495 13.017 -16.518 1.00 24.40 H +ATOM 2854 HB3 TYR A1068 -6.558 14.518 -15.532 1.00 25.40 H +ATOM 2855 HB2 TYR A1068 -5.525 13.618 -16.580 1.00 25.40 H +ATOM 2856 HD1 TYR A1068 -7.828 11.106 -15.737 1.00 27.65 H +ATOM 2857 HD2 TYR A1068 -4.905 13.672 -13.836 1.00 27.90 H +ATOM 2858 HE1 TYR A1068 -7.730 9.583 -13.840 1.00 28.32 H +ATOM 2859 HE2 TYR A1068 -4.789 12.095 -11.929 1.00 27.93 H +ATOM 2860 HH TYR A1068 -6.736 9.083 -11.841 1.00 34.10 H +ATOM 2861 N ALA A1069 -9.063 15.368 -16.828 1.00 26.27 N +ATOM 2862 CA ALA A1069 -9.621 16.707 -17.003 1.00 27.33 C +ATOM 2863 C ALA A1069 -8.659 17.817 -16.518 1.00 31.87 C +ATOM 2864 O ALA A1069 -7.763 17.513 -15.730 1.00 30.37 O +ATOM 2865 CB ALA A1069 -10.947 16.754 -16.231 1.00 27.85 C +ATOM 2866 H ALA A1069 -9.448 14.841 -16.054 1.00 26.27 H +ATOM 2867 HA ALA A1069 -9.810 16.823 -18.066 1.00 27.33 H +ATOM 2868 HB1 ALA A1069 -11.438 17.722 -16.320 1.00 27.85 H +ATOM 2869 HB2 ALA A1069 -11.646 16.004 -16.594 1.00 27.85 H +ATOM 2870 HB3 ALA A1069 -10.785 16.554 -15.172 1.00 27.85 H +ATOM 2871 N PRO A1070 -8.853 19.082 -16.970 1.00 28.98 N +ATOM 2872 CA PRO A1070 -7.923 20.191 -16.665 1.00 30.25 C +ATOM 2873 C PRO A1070 -7.700 20.518 -15.175 1.00 34.14 C +ATOM 2874 O PRO A1070 -6.573 20.852 -14.818 1.00 33.30 O +ATOM 2875 CB PRO A1070 -8.493 21.396 -17.433 1.00 33.24 C +ATOM 2876 CG PRO A1070 -9.331 20.784 -18.540 1.00 37.12 C +ATOM 2877 CD PRO A1070 -9.901 19.534 -17.888 1.00 31.16 C +ATOM 2878 HA PRO A1070 -6.962 19.920 -17.107 1.00 30.25 H +ATOM 2879 HB3 PRO A1070 -7.714 22.051 -17.825 1.00 33.24 H +ATOM 2880 HB2 PRO A1070 -9.134 22.001 -16.791 1.00 33.24 H +ATOM 2881 HG3 PRO A1070 -8.680 20.494 -19.364 1.00 37.12 H +ATOM 2882 HG2 PRO A1070 -10.095 21.455 -18.934 1.00 37.12 H +ATOM 2883 HD2 PRO A1070 -10.795 19.780 -17.314 1.00 31.16 H +ATOM 2884 HD3 PRO A1070 -10.174 18.813 -18.654 1.00 31.16 H +ATOM 2885 N GLU A1071 -8.744 20.397 -14.334 1.00 30.48 N +ATOM 2886 CA GLU A1071 -8.670 20.632 -12.886 1.00 31.43 C +ATOM 2887 C GLU A1071 -8.015 19.474 -12.104 1.00 36.54 C +ATOM 2888 O GLU A1071 -7.610 19.696 -10.965 1.00 37.63 O +ATOM 2889 CB GLU A1071 -10.061 21.021 -12.323 1.00 32.56 C +ATOM 2890 CG GLU A1071 -11.111 19.899 -12.136 1.00 35.76 C +ATOM 2891 CD GLU A1071 -11.663 19.243 -13.409 1.00 37.74 C +ATOM 2892 OE1 GLU A1071 -11.773 19.921 -14.455 1.00 31.58 O +ATOM 2893 OE2 GLU A1071 -12.001 18.047 -13.308 1.00 25.56 O1- +ATOM 2894 H GLU A1071 -9.652 20.128 -14.691 1.00 30.48 H +ATOM 2895 HA GLU A1071 -8.027 21.502 -12.737 1.00 31.43 H +ATOM 2896 HB3 GLU A1071 -10.485 21.824 -12.925 1.00 32.56 H +ATOM 2897 HB2 GLU A1071 -9.904 21.480 -11.346 1.00 32.56 H +ATOM 2898 HG3 GLU A1071 -11.971 20.327 -11.620 1.00 35.76 H +ATOM 2899 HG2 GLU A1071 -10.723 19.135 -11.462 1.00 35.76 H +ATOM 2900 N CYS A1072 -7.886 18.284 -12.717 1.00 32.49 N +ATOM 2901 CA CYS A1072 -7.132 17.152 -12.167 1.00 32.58 C +ATOM 2902 C CYS A1072 -5.622 17.310 -12.419 1.00 37.39 C +ATOM 2903 O CYS A1072 -4.826 16.835 -11.611 1.00 38.08 O +ATOM 2904 CB CYS A1072 -7.587 15.806 -12.759 1.00 31.25 C +ATOM 2905 SG CYS A1072 -9.352 15.554 -12.470 1.00 34.42 S +ATOM 2906 H CYS A1072 -8.257 18.161 -13.649 1.00 32.49 H +ATOM 2907 HA CYS A1072 -7.287 17.115 -11.087 1.00 32.58 H +ATOM 2908 HB3 CYS A1072 -7.039 14.977 -12.309 1.00 31.25 H +ATOM 2909 HB2 CYS A1072 -7.406 15.766 -13.832 1.00 31.25 H +ATOM 2910 HG CYS A1072 -9.290 15.627 -11.137 1.00 34.42 H +ATOM 2911 N LEU A1073 -5.266 17.967 -13.536 1.00 33.94 N +ATOM 2912 CA LEU A1073 -3.891 18.219 -13.963 1.00 35.43 C +ATOM 2913 C LEU A1073 -3.294 19.478 -13.307 1.00 43.48 C +ATOM 2914 O LEU A1073 -2.085 19.509 -13.081 1.00 44.33 O +ATOM 2915 CB LEU A1073 -3.869 18.390 -15.499 1.00 35.06 C +ATOM 2916 CG LEU A1073 -4.341 17.170 -16.321 1.00 37.87 C +ATOM 2917 CD1 LEU A1073 -4.517 17.552 -17.804 1.00 38.52 C +ATOM 2918 CD2 LEU A1073 -3.436 15.937 -16.139 1.00 39.19 C +ATOM 2919 H LEU A1073 -5.988 18.313 -14.153 1.00 33.94 H +ATOM 2920 HA LEU A1073 -3.265 17.368 -13.686 1.00 35.43 H +ATOM 2921 HB3 LEU A1073 -2.858 18.647 -15.817 1.00 35.06 H +ATOM 2922 HB2 LEU A1073 -4.489 19.252 -15.755 1.00 35.06 H +ATOM 2923 HG LEU A1073 -5.329 16.889 -15.963 1.00 37.87 H +ATOM 2924 HD11 LEU A1073 -5.382 17.049 -18.237 1.00 38.52 H +ATOM 2925 HD12 LEU A1073 -4.671 18.624 -17.940 1.00 38.52 H +ATOM 2926 HD13 LEU A1073 -3.644 17.286 -18.396 1.00 38.52 H +ATOM 2927 HD21 LEU A1073 -3.149 15.499 -17.094 1.00 39.19 H +ATOM 2928 HD22 LEU A1073 -2.519 16.169 -15.600 1.00 39.19 H +ATOM 2929 HD23 LEU A1073 -3.949 15.160 -15.574 1.00 39.19 H +ATOM 2930 N LYS A1074 -4.137 20.497 -13.064 1.00 42.49 N +ATOM 2931 CA LYS A1074 -3.729 21.836 -12.643 1.00 45.58 C +ATOM 2932 C LYS A1074 -3.934 22.044 -11.135 1.00 51.72 C +ATOM 2933 O LYS A1074 -2.973 22.372 -10.442 1.00 52.85 O +ATOM 2934 CB LYS A1074 -4.514 22.869 -13.483 1.00 49.18 C +ATOM 2935 CG LYS A1074 -4.055 24.328 -13.301 1.00 71.38 C +ATOM 2936 CD LYS A1074 -4.725 25.346 -14.249 1.00 85.44 C +ATOM 2937 CE LYS A1074 -6.183 25.718 -13.902 1.00 97.19 C +ATOM 2938 NZ LYS A1074 -7.173 24.740 -14.390 1.00104.18 N1+ +ATOM 2939 H LYS A1074 -5.112 20.390 -13.308 1.00 42.49 H +ATOM 2940 HA LYS A1074 -2.667 21.980 -12.852 1.00 45.58 H +ATOM 2941 HB3 LYS A1074 -5.576 22.781 -13.261 1.00 49.18 H +ATOM 2942 HB2 LYS A1074 -4.402 22.609 -14.535 1.00 49.18 H +ATOM 2943 HG3 LYS A1074 -2.977 24.371 -13.462 1.00 71.38 H +ATOM 2944 HG2 LYS A1074 -4.211 24.646 -12.269 1.00 71.38 H +ATOM 2945 HD3 LYS A1074 -4.664 24.985 -15.278 1.00 85.44 H +ATOM 2946 HD2 LYS A1074 -4.129 26.259 -14.237 1.00 85.44 H +ATOM 2947 HE3 LYS A1074 -6.429 26.674 -14.365 1.00 97.19 H +ATOM 2948 HE2 LYS A1074 -6.297 25.853 -12.826 1.00 97.19 H +ATOM 2949 HZ1 LYS A1074 -7.139 24.699 -15.403 1.00104.18 H +ATOM 2950 HZ2 LYS A1074 -6.976 23.827 -14.010 1.00104.18 H +ATOM 2951 HZ3 LYS A1074 -8.101 25.030 -14.113 1.00104.18 H +ATOM 2952 N GLU A1075 -5.180 21.863 -10.665 1.00 48.00 N +ATOM 2953 CA GLU A1075 -5.585 22.077 -9.272 1.00 49.76 C +ATOM 2954 C GLU A1075 -5.469 20.825 -8.390 1.00 53.28 C +ATOM 2955 O GLU A1075 -5.564 20.955 -7.169 1.00 53.10 O +ATOM 2956 CB GLU A1075 -7.027 22.637 -9.249 1.00 51.48 C +ATOM 2957 CG GLU A1075 -7.124 24.120 -9.674 1.00 66.34 C +ATOM 2958 CD GLU A1075 -6.547 25.137 -8.670 1.00 98.88 C +ATOM 2959 OE1 GLU A1075 -6.396 24.794 -7.475 1.00 95.63 O +ATOM 2960 OE2 GLU A1075 -6.278 26.270 -9.122 1.00 98.68 O1- +ATOM 2961 H GLU A1075 -5.913 21.578 -11.297 1.00 48.00 H +ATOM 2962 HA GLU A1075 -4.918 22.813 -8.819 1.00 49.76 H +ATOM 2963 HB3 GLU A1075 -7.494 22.492 -8.274 1.00 51.48 H +ATOM 2964 HB2 GLU A1075 -7.647 22.060 -9.934 1.00 51.48 H +ATOM 2965 HG3 GLU A1075 -8.175 24.373 -9.823 1.00 66.34 H +ATOM 2966 HG2 GLU A1075 -6.644 24.255 -10.644 1.00 66.34 H +ATOM 2967 N TYR A1076 -5.279 19.648 -9.014 1.00 50.13 N +ATOM 2968 CA TYR A1076 -5.184 18.331 -8.378 1.00 50.19 C +ATOM 2969 C TYR A1076 -6.446 17.957 -7.577 1.00 52.11 C +ATOM 2970 O TYR A1076 -6.327 17.366 -6.507 1.00 53.52 O +ATOM 2971 CB TYR A1076 -3.875 18.202 -7.561 1.00 54.13 C +ATOM 2972 CG TYR A1076 -2.614 18.454 -8.368 1.00 57.78 C +ATOM 2973 CD1 TYR A1076 -1.910 19.668 -8.226 1.00 62.12 C +ATOM 2974 CD2 TYR A1076 -2.156 17.481 -9.280 1.00 57.80 C +ATOM 2975 CE1 TYR A1076 -0.757 19.910 -8.998 1.00 64.82 C +ATOM 2976 CE2 TYR A1076 -1.005 17.725 -10.054 1.00 59.85 C +ATOM 2977 CZ TYR A1076 -0.305 18.940 -9.913 1.00 71.28 C +ATOM 2978 OH TYR A1076 0.811 19.178 -10.660 1.00 75.29 O +ATOM 2979 H TYR A1076 -5.206 19.646 -10.021 1.00 50.13 H +ATOM 2980 HA TYR A1076 -5.136 17.606 -9.189 1.00 50.19 H +ATOM 2981 HB3 TYR A1076 -3.793 17.199 -7.144 1.00 54.13 H +ATOM 2982 HB2 TYR A1076 -3.889 18.877 -6.704 1.00 54.13 H +ATOM 2983 HD1 TYR A1076 -2.257 20.423 -7.536 1.00 62.12 H +ATOM 2984 HD2 TYR A1076 -2.693 16.552 -9.399 1.00 57.80 H +ATOM 2985 HE1 TYR A1076 -0.223 20.842 -8.889 1.00 64.82 H +ATOM 2986 HE2 TYR A1076 -0.665 16.978 -10.756 1.00 59.85 H +ATOM 2987 HH TYR A1076 1.035 18.453 -11.248 1.00 75.29 H +ATOM 2988 N LYS A1077 -7.625 18.303 -8.117 1.00 44.81 N +ATOM 2989 CA LYS A1077 -8.935 17.968 -7.561 1.00 43.60 C +ATOM 2990 C LYS A1077 -9.643 17.020 -8.530 1.00 41.76 C +ATOM 2991 O LYS A1077 -9.712 17.322 -9.722 1.00 38.21 O +ATOM 2992 CB LYS A1077 -9.773 19.248 -7.392 1.00 46.62 C +ATOM 2993 CG LYS A1077 -9.225 20.227 -6.347 1.00 58.33 C +ATOM 2994 CD LYS A1077 -10.181 21.413 -6.133 1.00 67.59 C +ATOM 2995 CE LYS A1077 -9.692 22.437 -5.097 1.00 79.50 C +ATOM 2996 NZ LYS A1077 -8.547 23.225 -5.587 1.00 87.69 N1+ +ATOM 2997 H LYS A1077 -7.639 18.785 -9.007 1.00 44.81 H +ATOM 2998 HA LYS A1077 -8.838 17.480 -6.589 1.00 43.60 H +ATOM 2999 HB3 LYS A1077 -10.784 18.965 -7.093 1.00 46.62 H +ATOM 3000 HB2 LYS A1077 -9.869 19.760 -8.351 1.00 46.62 H +ATOM 3001 HG3 LYS A1077 -8.247 20.587 -6.666 1.00 58.33 H +ATOM 3002 HG2 LYS A1077 -9.067 19.705 -5.403 1.00 58.33 H +ATOM 3003 HD3 LYS A1077 -11.151 21.030 -5.811 1.00 67.59 H +ATOM 3004 HD2 LYS A1077 -10.370 21.908 -7.087 1.00 67.59 H +ATOM 3005 HE3 LYS A1077 -9.420 21.938 -4.166 1.00 79.50 H +ATOM 3006 HE2 LYS A1077 -10.500 23.130 -4.860 1.00 79.50 H +ATOM 3007 HZ1 LYS A1077 -8.803 23.715 -6.432 1.00 87.69 H +ATOM 3008 HZ2 LYS A1077 -8.267 23.900 -4.892 1.00 87.69 H +ATOM 3009 HZ3 LYS A1077 -7.769 22.614 -5.792 1.00 87.69 H +ATOM 3010 N PHE A1078 -10.177 15.913 -7.995 1.00 36.93 N +ATOM 3011 CA PHE A1078 -10.895 14.905 -8.764 1.00 34.49 C +ATOM 3012 C PHE A1078 -12.338 14.858 -8.243 1.00 39.60 C +ATOM 3013 O PHE A1078 -12.585 14.362 -7.144 1.00 40.48 O +ATOM 3014 CB PHE A1078 -10.163 13.553 -8.631 1.00 35.26 C +ATOM 3015 CG PHE A1078 -10.493 12.591 -9.753 1.00 34.98 C +ATOM 3016 CD1 PHE A1078 -9.616 12.456 -10.849 1.00 36.30 C +ATOM 3017 CD2 PHE A1078 -11.752 11.962 -9.802 1.00 35.94 C +ATOM 3018 CE1 PHE A1078 -9.990 11.692 -11.946 1.00 35.94 C +ATOM 3019 CE2 PHE A1078 -12.103 11.200 -10.902 1.00 37.30 C +ATOM 3020 CZ PHE A1078 -11.232 11.074 -11.975 1.00 34.53 C +ATOM 3021 H PHE A1078 -10.074 15.726 -7.005 1.00 36.93 H +ATOM 3022 HA PHE A1078 -10.911 15.172 -9.822 1.00 34.49 H +ATOM 3023 HB3 PHE A1078 -10.381 13.079 -7.673 1.00 35.26 H +ATOM 3024 HB2 PHE A1078 -9.086 13.717 -8.642 1.00 35.26 H +ATOM 3025 HD1 PHE A1078 -8.660 12.960 -10.852 1.00 36.30 H +ATOM 3026 HD2 PHE A1078 -12.462 12.090 -8.999 1.00 35.94 H +ATOM 3027 HE1 PHE A1078 -9.324 11.597 -12.788 1.00 35.94 H +ATOM 3028 HE2 PHE A1078 -13.078 10.743 -10.924 1.00 37.30 H +ATOM 3029 HZ PHE A1078 -11.523 10.502 -12.843 1.00 34.53 H +ATOM 3030 N TYR A1079 -13.251 15.383 -9.069 1.00 35.49 N +ATOM 3031 CA TYR A1079 -14.699 15.432 -8.867 1.00 35.71 C +ATOM 3032 C TYR A1079 -15.372 14.145 -9.384 1.00 36.13 C +ATOM 3033 O TYR A1079 -14.705 13.288 -9.964 1.00 33.76 O +ATOM 3034 CB TYR A1079 -15.243 16.673 -9.619 1.00 37.14 C +ATOM 3035 CG TYR A1079 -14.753 18.019 -9.104 1.00 41.82 C +ATOM 3036 CD1 TYR A1079 -15.584 18.803 -8.276 1.00 45.55 C +ATOM 3037 CD2 TYR A1079 -13.470 18.498 -9.452 1.00 42.95 C +ATOM 3038 CE1 TYR A1079 -15.127 20.039 -7.777 1.00 48.19 C +ATOM 3039 CE2 TYR A1079 -13.011 19.728 -8.945 1.00 44.97 C +ATOM 3040 CZ TYR A1079 -13.835 20.496 -8.101 1.00 54.63 C +ATOM 3041 OH TYR A1079 -13.381 21.681 -7.599 1.00 58.40 O +ATOM 3042 H TYR A1079 -12.940 15.728 -9.968 1.00 35.49 H +ATOM 3043 HA TYR A1079 -14.910 15.528 -7.804 1.00 35.71 H +ATOM 3044 HB3 TYR A1079 -16.331 16.687 -9.569 1.00 37.14 H +ATOM 3045 HB2 TYR A1079 -15.004 16.605 -10.682 1.00 37.14 H +ATOM 3046 HD1 TYR A1079 -16.571 18.454 -8.007 1.00 45.55 H +ATOM 3047 HD2 TYR A1079 -12.828 17.919 -10.099 1.00 42.95 H +ATOM 3048 HE1 TYR A1079 -15.767 20.629 -7.137 1.00 48.19 H +ATOM 3049 HE2 TYR A1079 -12.025 20.081 -9.205 1.00 44.97 H +ATOM 3050 HH TYR A1079 -14.028 22.123 -7.043 1.00 58.40 H +ATOM 3051 N TYR A1080 -16.702 14.042 -9.223 1.00 32.40 N +ATOM 3052 CA TYR A1080 -17.512 13.046 -9.939 1.00 30.87 C +ATOM 3053 C TYR A1080 -17.542 13.317 -11.455 1.00 32.51 C +ATOM 3054 O TYR A1080 -17.430 12.377 -12.238 1.00 30.72 O +ATOM 3055 CB TYR A1080 -18.938 12.999 -9.362 1.00 32.98 C +ATOM 3056 CG TYR A1080 -19.032 12.486 -7.936 1.00 35.85 C +ATOM 3057 CD1 TYR A1080 -18.695 11.147 -7.644 1.00 37.45 C +ATOM 3058 CD2 TYR A1080 -19.477 13.336 -6.902 1.00 38.07 C +ATOM 3059 CE1 TYR A1080 -18.818 10.655 -6.331 1.00 40.49 C +ATOM 3060 CE2 TYR A1080 -19.600 12.844 -5.588 1.00 40.41 C +ATOM 3061 CZ TYR A1080 -19.277 11.503 -5.305 1.00 44.30 C +ATOM 3062 OH TYR A1080 -19.410 11.026 -4.036 1.00 44.69 O +ATOM 3063 H TYR A1080 -17.208 14.750 -8.710 1.00 32.40 H +ATOM 3064 HA TYR A1080 -17.052 12.066 -9.794 1.00 30.87 H +ATOM 3065 HB3 TYR A1080 -19.560 12.345 -9.974 1.00 32.98 H +ATOM 3066 HB2 TYR A1080 -19.400 13.985 -9.425 1.00 32.98 H +ATOM 3067 HD1 TYR A1080 -18.346 10.490 -8.426 1.00 37.45 H +ATOM 3068 HD2 TYR A1080 -19.735 14.363 -7.111 1.00 38.07 H +ATOM 3069 HE1 TYR A1080 -18.566 9.627 -6.116 1.00 40.49 H +ATOM 3070 HE2 TYR A1080 -19.946 13.496 -4.799 1.00 40.41 H +ATOM 3071 HH TYR A1080 -19.090 10.127 -3.938 1.00 44.69 H +ATOM 3072 N ALA A1081 -17.605 14.604 -11.842 1.00 29.56 N +ATOM 3073 CA ALA A1081 -17.512 15.064 -13.228 1.00 27.95 C +ATOM 3074 C ALA A1081 -16.170 14.748 -13.915 1.00 27.99 C +ATOM 3075 O ALA A1081 -16.124 14.729 -15.142 1.00 26.14 O +ATOM 3076 CB ALA A1081 -17.798 16.573 -13.264 1.00 28.95 C +ATOM 3077 H ALA A1081 -17.713 15.325 -11.141 1.00 29.56 H +ATOM 3078 HA ALA A1081 -18.290 14.551 -13.796 1.00 27.95 H +ATOM 3079 HB1 ALA A1081 -17.793 16.956 -14.285 1.00 28.95 H +ATOM 3080 HB2 ALA A1081 -18.781 16.794 -12.847 1.00 28.95 H +ATOM 3081 HB3 ALA A1081 -17.061 17.135 -12.690 1.00 28.95 H +ATOM 3082 N SER A1082 -15.102 14.505 -13.138 1.00 25.39 N +ATOM 3083 CA SER A1082 -13.776 14.151 -13.646 1.00 24.95 C +ATOM 3084 C SER A1082 -13.745 12.745 -14.282 1.00 27.35 C +ATOM 3085 O SER A1082 -13.055 12.563 -15.284 1.00 26.99 O +ATOM 3086 CB SER A1082 -12.763 14.260 -12.500 1.00 28.68 C +ATOM 3087 OG SER A1082 -12.732 15.566 -11.967 1.00 33.92 O +ATOM 3088 H SER A1082 -15.195 14.533 -12.132 1.00 25.39 H +ATOM 3089 HA SER A1082 -13.498 14.869 -14.420 1.00 24.95 H +ATOM 3090 HB3 SER A1082 -11.764 14.000 -12.839 1.00 28.68 H +ATOM 3091 HB2 SER A1082 -13.008 13.569 -11.703 1.00 28.68 H +ATOM 3092 HG SER A1082 -12.333 16.169 -12.606 1.00 33.92 H +ATOM 3093 N ASP A1083 -14.537 11.799 -13.743 1.00 23.13 N +ATOM 3094 CA ASP A1083 -14.788 10.488 -14.354 1.00 22.18 C +ATOM 3095 C ASP A1083 -15.611 10.564 -15.651 1.00 25.02 C +ATOM 3096 O ASP A1083 -15.428 9.691 -16.496 1.00 23.63 O +ATOM 3097 CB ASP A1083 -15.474 9.498 -13.386 1.00 24.19 C +ATOM 3098 CG ASP A1083 -14.601 8.937 -12.259 1.00 28.00 C +ATOM 3099 OD1 ASP A1083 -13.433 8.581 -12.529 1.00 27.87 O +ATOM 3100 OD2 ASP A1083 -15.162 8.716 -11.167 1.00 31.18 O1- +ATOM 3101 H ASP A1083 -15.083 12.016 -12.921 1.00 23.13 H +ATOM 3102 HA ASP A1083 -13.818 10.082 -14.642 1.00 22.18 H +ATOM 3103 HB3 ASP A1083 -15.865 8.648 -13.943 1.00 24.19 H +ATOM 3104 HB2 ASP A1083 -16.333 9.997 -12.937 1.00 24.19 H +ATOM 3105 N VAL A1084 -16.478 11.581 -15.808 1.00 23.20 N +ATOM 3106 CA VAL A1084 -17.237 11.816 -17.043 1.00 22.46 C +ATOM 3107 C VAL A1084 -16.326 12.236 -18.215 1.00 25.25 C +ATOM 3108 O VAL A1084 -16.560 11.779 -19.334 1.00 23.49 O +ATOM 3109 CB VAL A1084 -18.378 12.855 -16.849 1.00 25.40 C +ATOM 3110 CG1 VAL A1084 -19.004 13.409 -18.149 1.00 24.52 C +ATOM 3111 CG2 VAL A1084 -19.467 12.272 -15.928 1.00 25.38 C +ATOM 3112 H VAL A1084 -16.590 12.265 -15.073 1.00 23.20 H +ATOM 3113 HA VAL A1084 -17.704 10.870 -17.322 1.00 22.46 H +ATOM 3114 HB VAL A1084 -17.970 13.719 -16.335 1.00 25.40 H +ATOM 3115 HG11 VAL A1084 -19.744 14.170 -17.923 1.00 24.52 H +ATOM 3116 HG12 VAL A1084 -18.280 13.911 -18.790 1.00 24.52 H +ATOM 3117 HG13 VAL A1084 -19.487 12.624 -18.732 1.00 24.52 H +ATOM 3118 HG21 VAL A1084 -20.235 13.007 -15.704 1.00 25.38 H +ATOM 3119 HG22 VAL A1084 -19.957 11.412 -16.385 1.00 25.38 H +ATOM 3120 HG23 VAL A1084 -19.053 11.952 -14.972 1.00 25.38 H +ATOM 3121 N TRP A1085 -15.279 13.034 -17.932 1.00 23.54 N +ATOM 3122 CA TRP A1085 -14.206 13.342 -18.882 1.00 23.20 C +ATOM 3123 C TRP A1085 -13.454 12.077 -19.319 1.00 25.99 C +ATOM 3124 O TRP A1085 -13.253 11.889 -20.518 1.00 26.38 O +ATOM 3125 CB TRP A1085 -13.269 14.426 -18.303 1.00 22.62 C +ATOM 3126 CG TRP A1085 -12.128 14.881 -19.175 1.00 22.84 C +ATOM 3127 CD1 TRP A1085 -11.055 14.132 -19.515 1.00 25.30 C +ATOM 3128 CD2 TRP A1085 -11.921 16.174 -19.828 1.00 22.79 C +ATOM 3129 NE1 TRP A1085 -10.233 14.839 -20.359 1.00 24.54 N +ATOM 3130 CE2 TRP A1085 -10.718 16.104 -20.594 1.00 26.50 C +ATOM 3131 CE3 TRP A1085 -12.618 17.404 -19.853 1.00 24.28 C +ATOM 3132 CZ2 TRP A1085 -10.252 17.180 -21.365 1.00 26.19 C +ATOM 3133 CZ3 TRP A1085 -12.152 18.496 -20.615 1.00 25.94 C +ATOM 3134 CH2 TRP A1085 -10.975 18.384 -21.378 1.00 26.22 C +ATOM 3135 H TRP A1085 -15.153 13.373 -16.988 1.00 23.54 H +ATOM 3136 HA TRP A1085 -14.660 13.744 -19.784 1.00 23.20 H +ATOM 3137 HB3 TRP A1085 -12.840 14.080 -17.363 1.00 22.62 H +ATOM 3138 HB2 TRP A1085 -13.860 15.308 -18.052 1.00 22.62 H +ATOM 3139 HD1 TRP A1085 -10.890 13.120 -19.184 1.00 25.30 H +ATOM 3140 HE1 TRP A1085 -9.371 14.455 -20.731 1.00 24.54 H +ATOM 3141 HE3 TRP A1085 -13.527 17.507 -19.285 1.00 24.28 H +ATOM 3142 HZ2 TRP A1085 -9.346 17.075 -21.938 1.00 26.19 H +ATOM 3143 HZ3 TRP A1085 -12.701 19.424 -20.620 1.00 25.94 H +ATOM 3144 HH2 TRP A1085 -10.626 19.223 -21.962 1.00 26.22 H +ATOM 3145 N SER A1086 -13.092 11.228 -18.343 1.00 23.27 N +ATOM 3146 CA SER A1086 -12.412 9.953 -18.565 1.00 22.29 C +ATOM 3147 C SER A1086 -13.274 8.947 -19.353 1.00 25.76 C +ATOM 3148 O SER A1086 -12.707 8.181 -20.130 1.00 25.35 O +ATOM 3149 CB SER A1086 -11.978 9.362 -17.215 1.00 24.31 C +ATOM 3150 OG SER A1086 -11.144 10.256 -16.504 1.00 27.11 O +ATOM 3151 H SER A1086 -13.281 11.465 -17.378 1.00 23.27 H +ATOM 3152 HA SER A1086 -11.518 10.152 -19.159 1.00 22.29 H +ATOM 3153 HB3 SER A1086 -11.420 8.439 -17.370 1.00 24.31 H +ATOM 3154 HB2 SER A1086 -12.840 9.115 -16.597 1.00 24.31 H +ATOM 3155 HG SER A1086 -10.415 10.519 -17.077 1.00 27.11 H +ATOM 3156 N PHE A1087 -14.612 9.007 -19.195 1.00 22.49 N +ATOM 3157 CA PHE A1087 -15.589 8.295 -20.022 1.00 21.87 C +ATOM 3158 C PHE A1087 -15.618 8.765 -21.483 1.00 26.76 C +ATOM 3159 O PHE A1087 -15.773 7.924 -22.363 1.00 27.22 O +ATOM 3160 CB PHE A1087 -16.998 8.282 -19.373 1.00 24.21 C +ATOM 3161 CG PHE A1087 -18.139 7.909 -20.310 1.00 25.86 C +ATOM 3162 CD1 PHE A1087 -18.280 6.574 -20.745 1.00 28.01 C +ATOM 3163 CD2 PHE A1087 -18.909 8.917 -20.932 1.00 26.70 C +ATOM 3164 CE1 PHE A1087 -19.174 6.264 -21.760 1.00 28.28 C +ATOM 3165 CE2 PHE A1087 -19.803 8.585 -21.941 1.00 28.37 C +ATOM 3166 CZ PHE A1087 -19.928 7.266 -22.358 1.00 26.26 C +ATOM 3167 H PHE A1087 -14.996 9.642 -18.508 1.00 22.49 H +ATOM 3168 HA PHE A1087 -15.264 7.254 -20.052 1.00 21.87 H +ATOM 3169 HB3 PHE A1087 -17.220 9.244 -18.916 1.00 24.21 H +ATOM 3170 HB2 PHE A1087 -17.001 7.559 -18.562 1.00 24.21 H +ATOM 3171 HD1 PHE A1087 -17.662 5.798 -20.320 1.00 28.01 H +ATOM 3172 HD2 PHE A1087 -18.781 9.951 -20.647 1.00 26.70 H +ATOM 3173 HE1 PHE A1087 -19.270 5.244 -22.097 1.00 28.28 H +ATOM 3174 HE2 PHE A1087 -20.388 9.359 -22.416 1.00 28.37 H +ATOM 3175 HZ PHE A1087 -20.613 7.022 -23.156 1.00 26.26 H +ATOM 3176 N GLY A1088 -15.463 10.078 -21.725 1.00 25.20 N +ATOM 3177 CA GLY A1088 -15.397 10.647 -23.072 1.00 24.53 C +ATOM 3178 C GLY A1088 -14.144 10.153 -23.812 1.00 25.56 C +ATOM 3179 O GLY A1088 -14.215 9.886 -25.010 1.00 24.64 O +ATOM 3180 H GLY A1088 -15.360 10.718 -20.948 1.00 25.20 H +ATOM 3181 HA3 GLY A1088 -15.369 11.734 -23.000 1.00 24.53 H +ATOM 3182 HA2 GLY A1088 -16.295 10.385 -23.634 1.00 24.53 H +ATOM 3183 N VAL A1089 -13.018 9.990 -23.092 1.00 22.27 N +ATOM 3184 CA VAL A1089 -11.773 9.430 -23.621 1.00 21.54 C +ATOM 3185 C VAL A1089 -11.845 7.892 -23.772 1.00 25.32 C +ATOM 3186 O VAL A1089 -11.253 7.367 -24.713 1.00 25.91 O +ATOM 3187 CB VAL A1089 -10.538 9.818 -22.757 1.00 24.92 C +ATOM 3188 CG1 VAL A1089 -9.205 9.300 -23.330 1.00 24.42 C +ATOM 3189 CG2 VAL A1089 -10.419 11.342 -22.593 1.00 24.24 C +ATOM 3190 H VAL A1089 -13.022 10.219 -22.107 1.00 22.27 H +ATOM 3191 HA VAL A1089 -11.612 9.844 -24.616 1.00 21.54 H +ATOM 3192 HB VAL A1089 -10.659 9.389 -21.761 1.00 24.92 H +ATOM 3193 HG11 VAL A1089 -8.358 9.619 -22.723 1.00 24.42 H +ATOM 3194 HG12 VAL A1089 -9.165 8.214 -23.374 1.00 24.42 H +ATOM 3195 HG13 VAL A1089 -9.045 9.679 -24.340 1.00 24.42 H +ATOM 3196 HG21 VAL A1089 -9.521 11.613 -22.042 1.00 24.24 H +ATOM 3197 HG22 VAL A1089 -10.373 11.837 -23.563 1.00 24.24 H +ATOM 3198 HG23 VAL A1089 -11.258 11.760 -22.043 1.00 24.24 H +ATOM 3199 N THR A1090 -12.615 7.201 -22.911 1.00 22.27 N +ATOM 3200 CA THR A1090 -12.918 5.771 -23.052 1.00 21.73 C +ATOM 3201 C THR A1090 -13.803 5.497 -24.282 1.00 24.89 C +ATOM 3202 O THR A1090 -13.496 4.581 -25.038 1.00 24.37 O +ATOM 3203 CB THR A1090 -13.638 5.177 -21.811 1.00 26.43 C +ATOM 3204 OG1 THR A1090 -12.855 5.394 -20.661 1.00 23.21 O +ATOM 3205 CG2 THR A1090 -13.917 3.664 -21.880 1.00 26.50 C +ATOM 3206 H THR A1090 -13.071 7.685 -22.149 1.00 22.27 H +ATOM 3207 HA THR A1090 -11.974 5.239 -23.187 1.00 21.73 H +ATOM 3208 HB THR A1090 -14.587 5.688 -21.652 1.00 26.43 H +ATOM 3209 HG1 THR A1090 -12.746 6.342 -20.526 1.00 23.21 H +ATOM 3210 HG21 THR A1090 -14.289 3.293 -20.925 1.00 26.50 H +ATOM 3211 HG22 THR A1090 -14.666 3.418 -22.633 1.00 26.50 H +ATOM 3212 HG23 THR A1090 -13.011 3.107 -22.118 1.00 26.50 H +ATOM 3213 N LEU A1091 -14.844 6.326 -24.480 1.00 21.38 N +ATOM 3214 CA LEU A1091 -15.754 6.315 -25.626 1.00 21.26 C +ATOM 3215 C LEU A1091 -15.027 6.594 -26.953 1.00 25.55 C +ATOM 3216 O LEU A1091 -15.338 5.943 -27.948 1.00 24.92 O +ATOM 3217 CB LEU A1091 -16.902 7.321 -25.358 1.00 21.18 C +ATOM 3218 CG LEU A1091 -18.043 7.343 -26.400 1.00 26.34 C +ATOM 3219 CD1 LEU A1091 -18.736 5.972 -26.517 1.00 27.66 C +ATOM 3220 CD2 LEU A1091 -19.046 8.478 -26.096 1.00 28.91 C +ATOM 3221 H LEU A1091 -15.031 7.043 -23.789 1.00 21.38 H +ATOM 3222 HA LEU A1091 -16.172 5.309 -25.684 1.00 21.26 H +ATOM 3223 HB3 LEU A1091 -16.476 8.322 -25.277 1.00 21.18 H +ATOM 3224 HB2 LEU A1091 -17.339 7.107 -24.381 1.00 21.18 H +ATOM 3225 HG LEU A1091 -17.612 7.573 -27.373 1.00 26.34 H +ATOM 3226 HD11 LEU A1091 -19.820 6.049 -26.604 1.00 27.66 H +ATOM 3227 HD12 LEU A1091 -18.386 5.428 -27.392 1.00 27.66 H +ATOM 3228 HD13 LEU A1091 -18.522 5.346 -25.651 1.00 27.66 H +ATOM 3229 HD21 LEU A1091 -19.158 9.136 -26.959 1.00 28.91 H +ATOM 3230 HD22 LEU A1091 -20.039 8.108 -25.839 1.00 28.91 H +ATOM 3231 HD23 LEU A1091 -18.721 9.099 -25.260 1.00 28.91 H +ATOM 3232 N TYR A1092 -14.031 7.499 -26.923 1.00 23.80 N +ATOM 3233 CA TYR A1092 -13.099 7.753 -28.021 1.00 23.59 C +ATOM 3234 C TYR A1092 -12.315 6.491 -28.425 1.00 28.07 C +ATOM 3235 O TYR A1092 -12.272 6.181 -29.614 1.00 28.26 O +ATOM 3236 CB TYR A1092 -12.173 8.936 -27.658 1.00 24.03 C +ATOM 3237 CG TYR A1092 -11.033 9.197 -28.626 1.00 25.49 C +ATOM 3238 CD1 TYR A1092 -11.301 9.688 -29.920 1.00 27.64 C +ATOM 3239 CD2 TYR A1092 -9.705 8.903 -28.251 1.00 25.28 C +ATOM 3240 CE1 TYR A1092 -10.251 9.863 -30.838 1.00 27.61 C +ATOM 3241 CE2 TYR A1092 -8.652 9.096 -29.166 1.00 25.84 C +ATOM 3242 CZ TYR A1092 -8.929 9.573 -30.462 1.00 31.24 C +ATOM 3243 OH TYR A1092 -7.926 9.744 -31.367 1.00 30.99 O +ATOM 3244 H TYR A1092 -13.854 8.006 -26.066 1.00 23.80 H +ATOM 3245 HA TYR A1092 -13.698 8.053 -28.883 1.00 23.59 H +ATOM 3246 HB3 TYR A1092 -11.731 8.761 -26.683 1.00 24.03 H +ATOM 3247 HB2 TYR A1092 -12.756 9.847 -27.538 1.00 24.03 H +ATOM 3248 HD1 TYR A1092 -12.315 9.900 -30.224 1.00 27.64 H +ATOM 3249 HD2 TYR A1092 -9.491 8.520 -27.264 1.00 25.28 H +ATOM 3250 HE1 TYR A1092 -10.457 10.196 -31.843 1.00 27.61 H +ATOM 3251 HE2 TYR A1092 -7.639 8.871 -28.867 1.00 25.84 H +ATOM 3252 HH TYR A1092 -7.106 9.333 -31.072 1.00 30.99 H +ATOM 3253 N GLU A1093 -11.768 5.761 -27.435 1.00 24.82 N +ATOM 3254 CA GLU A1093 -11.086 4.484 -27.646 1.00 23.87 C +ATOM 3255 C GLU A1093 -11.975 3.389 -28.258 1.00 29.02 C +ATOM 3256 O GLU A1093 -11.477 2.664 -29.115 1.00 29.63 O +ATOM 3257 CB GLU A1093 -10.427 3.973 -26.356 1.00 24.44 C +ATOM 3258 CG GLU A1093 -9.237 4.821 -25.884 1.00 27.04 C +ATOM 3259 CD GLU A1093 -8.637 4.226 -24.611 1.00 39.48 C +ATOM 3260 OE1 GLU A1093 -9.243 4.419 -23.533 1.00 26.77 O +ATOM 3261 OE2 GLU A1093 -7.591 3.554 -24.738 1.00 32.38 O1- +ATOM 3262 H GLU A1093 -11.845 6.074 -26.476 1.00 24.82 H +ATOM 3263 HA GLU A1093 -10.281 4.673 -28.357 1.00 23.87 H +ATOM 3264 HB3 GLU A1093 -10.087 2.947 -26.501 1.00 24.44 H +ATOM 3265 HB2 GLU A1093 -11.167 3.920 -25.560 1.00 24.44 H +ATOM 3266 HG3 GLU A1093 -9.531 5.852 -25.702 1.00 27.04 H +ATOM 3267 HG2 GLU A1093 -8.481 4.862 -26.670 1.00 27.04 H +ATOM 3268 N LEU A1094 -13.259 3.299 -27.860 1.00 26.56 N +ATOM 3269 CA LEU A1094 -14.192 2.306 -28.409 1.00 27.12 C +ATOM 3270 C LEU A1094 -14.478 2.531 -29.905 1.00 29.23 C +ATOM 3271 O LEU A1094 -14.481 1.561 -30.660 1.00 30.58 O +ATOM 3272 CB LEU A1094 -15.520 2.246 -27.615 1.00 27.75 C +ATOM 3273 CG LEU A1094 -15.421 2.018 -26.089 1.00 33.45 C +ATOM 3274 CD1 LEU A1094 -16.789 1.644 -25.482 1.00 34.25 C +ATOM 3275 CD2 LEU A1094 -14.323 1.027 -25.666 1.00 37.20 C +ATOM 3276 H LEU A1094 -13.614 3.919 -27.144 1.00 26.56 H +ATOM 3277 HA LEU A1094 -13.708 1.330 -28.327 1.00 27.12 H +ATOM 3278 HB3 LEU A1094 -16.113 1.436 -28.041 1.00 27.75 H +ATOM 3279 HB2 LEU A1094 -16.100 3.154 -27.790 1.00 27.75 H +ATOM 3280 HG LEU A1094 -15.166 2.977 -25.652 1.00 33.45 H +ATOM 3281 HD11 LEU A1094 -17.053 2.322 -24.669 1.00 34.25 H +ATOM 3282 HD12 LEU A1094 -17.592 1.700 -26.216 1.00 34.25 H +ATOM 3283 HD13 LEU A1094 -16.794 0.632 -25.076 1.00 34.25 H +ATOM 3284 HD21 LEU A1094 -14.466 0.703 -24.636 1.00 37.20 H +ATOM 3285 HD22 LEU A1094 -14.313 0.140 -26.299 1.00 37.20 H +ATOM 3286 HD23 LEU A1094 -13.335 1.487 -25.711 1.00 37.20 H +ATOM 3287 N LEU A1095 -14.672 3.802 -30.304 1.00 26.35 N +ATOM 3288 CA LEU A1095 -14.961 4.209 -31.682 1.00 28.85 C +ATOM 3289 C LEU A1095 -13.734 4.120 -32.619 1.00 32.34 C +ATOM 3290 O LEU A1095 -13.931 3.898 -33.813 1.00 33.48 O +ATOM 3291 CB LEU A1095 -15.577 5.632 -31.691 1.00 29.95 C +ATOM 3292 CG LEU A1095 -17.110 5.748 -31.482 1.00 37.01 C +ATOM 3293 CD1 LEU A1095 -17.928 4.993 -32.548 1.00 41.99 C +ATOM 3294 CD2 LEU A1095 -17.598 5.424 -30.060 1.00 37.43 C +ATOM 3295 H LEU A1095 -14.644 4.545 -29.618 1.00 26.35 H +ATOM 3296 HA LEU A1095 -15.694 3.506 -32.081 1.00 28.85 H +ATOM 3297 HB3 LEU A1095 -15.375 6.094 -32.658 1.00 29.95 H +ATOM 3298 HB2 LEU A1095 -15.062 6.260 -30.963 1.00 29.95 H +ATOM 3299 HG LEU A1095 -17.340 6.802 -31.630 1.00 37.01 H +ATOM 3300 HD11 LEU A1095 -18.648 5.658 -33.026 1.00 41.99 H +ATOM 3301 HD12 LEU A1095 -17.300 4.585 -33.335 1.00 41.99 H +ATOM 3302 HD13 LEU A1095 -18.483 4.155 -32.126 1.00 41.99 H +ATOM 3303 HD21 LEU A1095 -18.614 5.029 -30.052 1.00 37.43 H +ATOM 3304 HD22 LEU A1095 -16.973 4.692 -29.555 1.00 37.43 H +ATOM 3305 HD23 LEU A1095 -17.608 6.330 -29.455 1.00 37.43 H +ATOM 3306 N THR A1096 -12.506 4.251 -32.084 1.00 28.49 N +ATOM 3307 CA THR A1096 -11.253 3.995 -32.816 1.00 28.46 C +ATOM 3308 C THR A1096 -10.852 2.497 -32.815 1.00 34.09 C +ATOM 3309 O THR A1096 -9.856 2.153 -33.452 1.00 34.31 O +ATOM 3310 CB THR A1096 -10.059 4.808 -32.236 1.00 31.93 C +ATOM 3311 OG1 THR A1096 -9.741 4.419 -30.916 1.00 28.23 O +ATOM 3312 CG2 THR A1096 -10.258 6.329 -32.269 1.00 33.74 C +ATOM 3313 H THR A1096 -12.415 4.453 -31.098 1.00 28.49 H +ATOM 3314 HA THR A1096 -11.377 4.297 -33.856 1.00 28.46 H +ATOM 3315 HB THR A1096 -9.172 4.597 -32.833 1.00 31.93 H +ATOM 3316 HG1 THR A1096 -10.439 4.736 -30.336 1.00 28.23 H +ATOM 3317 HG21 THR A1096 -9.410 6.848 -31.821 1.00 33.74 H +ATOM 3318 HG22 THR A1096 -10.359 6.687 -33.292 1.00 33.74 H +ATOM 3319 HG23 THR A1096 -11.150 6.635 -31.735 1.00 33.74 H +ATOM 3320 N HIS A1097 -11.615 1.642 -32.103 1.00 31.69 N +ATOM 3321 CA HIS A1097 -11.381 0.204 -31.900 1.00 31.97 C +ATOM 3322 C HIS A1097 -10.062 -0.104 -31.165 1.00 33.69 C +ATOM 3323 O HIS A1097 -9.451 -1.146 -31.396 1.00 33.12 O +ATOM 3324 CB HIS A1097 -11.554 -0.597 -33.212 1.00 35.14 C +ATOM 3325 CG HIS A1097 -12.938 -0.518 -33.800 1.00 40.55 C +ATOM 3326 ND1 HIS A1097 -13.357 0.538 -34.617 1.00 43.74 N +ATOM 3327 CD2 HIS A1097 -13.982 -1.406 -33.645 1.00 43.94 C +ATOM 3328 CE1 HIS A1097 -14.618 0.257 -34.914 1.00 44.01 C +ATOM 3329 NE2 HIS A1097 -15.038 -0.885 -34.369 1.00 44.57 N +ATOM 3330 H HIS A1097 -12.425 2.012 -31.624 1.00 31.69 H +ATOM 3331 HA HIS A1097 -12.165 -0.123 -31.216 1.00 31.97 H +ATOM 3332 HB3 HIS A1097 -11.341 -1.653 -33.046 1.00 35.14 H +ATOM 3333 HB2 HIS A1097 -10.844 -0.264 -33.967 1.00 35.14 H +ATOM 3334 HD2 HIS A1097 -14.056 -2.331 -33.092 1.00 43.94 H +ATOM 3335 HE1 HIS A1097 -15.240 0.888 -35.531 1.00 44.01 H +ATOM 3336 HE2 HIS A1097 -15.963 -1.292 -34.456 1.00 44.57 H +ATOM 3337 N CYS A1098 -9.658 0.828 -30.285 1.00 28.70 N +ATOM 3338 CA CYS A1098 -8.478 0.796 -29.422 1.00 27.70 C +ATOM 3339 C CYS A1098 -7.155 0.700 -30.208 1.00 30.22 C +ATOM 3340 O CYS A1098 -6.198 0.093 -29.727 1.00 27.75 O +ATOM 3341 CB CYS A1098 -8.592 -0.268 -28.315 1.00 27.86 C +ATOM 3342 SG CYS A1098 -10.039 0.093 -27.277 1.00 31.27 S +ATOM 3343 H CYS A1098 -10.254 1.635 -30.150 1.00 28.70 H +ATOM 3344 HA CYS A1098 -8.453 1.767 -28.928 1.00 27.70 H +ATOM 3345 HB3 CYS A1098 -7.706 -0.255 -27.682 1.00 27.86 H +ATOM 3346 HB2 CYS A1098 -8.685 -1.270 -28.729 1.00 27.86 H +ATOM 3347 HG CYS A1098 -10.014 -1.059 -26.600 1.00 31.27 H +ATOM 3348 N ASP A1099 -7.130 1.319 -31.404 1.00 28.20 N +ATOM 3349 CA ASP A1099 -5.967 1.423 -32.283 1.00 29.09 C +ATOM 3350 C ASP A1099 -4.871 2.253 -31.590 1.00 32.04 C +ATOM 3351 O ASP A1099 -5.137 3.386 -31.191 1.00 29.80 O +ATOM 3352 CB ASP A1099 -6.383 2.011 -33.658 1.00 31.01 C +ATOM 3353 CG ASP A1099 -5.334 2.058 -34.786 1.00 42.86 C +ATOM 3354 OD1 ASP A1099 -4.205 1.546 -34.615 1.00 44.82 O +ATOM 3355 OD2 ASP A1099 -5.706 2.585 -35.856 1.00 55.40 O1- +ATOM 3356 H ASP A1099 -7.968 1.778 -31.732 1.00 28.20 H +ATOM 3357 HA ASP A1099 -5.599 0.408 -32.440 1.00 29.09 H +ATOM 3358 HB3 ASP A1099 -6.782 3.015 -33.511 1.00 31.01 H +ATOM 3359 HB2 ASP A1099 -7.232 1.442 -34.033 1.00 31.01 H +ATOM 3360 N SER A1100 -3.673 1.660 -31.457 1.00 30.26 N +ATOM 3361 CA SER A1100 -2.501 2.255 -30.813 1.00 30.30 C +ATOM 3362 C SER A1100 -2.007 3.557 -31.475 1.00 34.31 C +ATOM 3363 O SER A1100 -1.544 4.442 -30.757 1.00 34.07 O +ATOM 3364 CB SER A1100 -1.395 1.186 -30.688 1.00 35.14 C +ATOM 3365 OG SER A1100 -0.812 0.863 -31.936 1.00 49.21 O +ATOM 3366 H SER A1100 -3.544 0.722 -31.816 1.00 30.26 H +ATOM 3367 HA SER A1100 -2.810 2.508 -29.798 1.00 30.30 H +ATOM 3368 HB3 SER A1100 -1.789 0.278 -30.231 1.00 35.14 H +ATOM 3369 HB2 SER A1100 -0.604 1.548 -30.030 1.00 35.14 H +ATOM 3370 HG SER A1100 -0.171 0.161 -31.804 1.00 49.21 H +ATOM 3371 N SER A1101 -2.165 3.675 -32.806 1.00 31.40 N +ATOM 3372 CA SER A1101 -1.859 4.886 -33.572 1.00 31.93 C +ATOM 3373 C SER A1101 -2.867 6.034 -33.343 1.00 35.91 C +ATOM 3374 O SER A1101 -2.506 7.191 -33.557 1.00 36.89 O +ATOM 3375 CB SER A1101 -1.697 4.523 -35.064 1.00 36.50 C +ATOM 3376 OG SER A1101 -2.929 4.318 -35.729 1.00 42.36 O +ATOM 3377 H SER A1101 -2.558 2.902 -33.327 1.00 31.40 H +ATOM 3378 HA SER A1101 -0.886 5.241 -33.226 1.00 31.93 H +ATOM 3379 HB3 SER A1101 -1.073 3.636 -35.181 1.00 36.50 H +ATOM 3380 HB2 SER A1101 -1.179 5.333 -35.580 1.00 36.50 H +ATOM 3381 HG SER A1101 -3.291 3.462 -35.475 1.00 42.36 H +ATOM 3382 N GLN A1102 -4.091 5.700 -32.898 1.00 29.85 N +ATOM 3383 CA GLN A1102 -5.158 6.649 -32.581 1.00 28.09 C +ATOM 3384 C GLN A1102 -5.318 6.881 -31.067 1.00 29.55 C +ATOM 3385 O GLN A1102 -6.205 7.643 -30.690 1.00 27.73 O +ATOM 3386 CB GLN A1102 -6.487 6.161 -33.198 1.00 29.07 C +ATOM 3387 CG GLN A1102 -6.456 6.050 -34.735 1.00 37.94 C +ATOM 3388 CD GLN A1102 -7.845 5.775 -35.316 1.00 47.98 C +ATOM 3389 OE1 GLN A1102 -8.717 6.640 -35.277 1.00 45.96 O +ATOM 3390 NE2 GLN A1102 -8.059 4.581 -35.868 1.00 43.70 N +ATOM 3391 H GLN A1102 -4.308 4.725 -32.740 1.00 29.85 H +ATOM 3392 HA GLN A1102 -4.936 7.620 -33.021 1.00 28.09 H +ATOM 3393 HB3 GLN A1102 -7.282 6.854 -32.919 1.00 29.07 H +ATOM 3394 HB2 GLN A1102 -6.763 5.199 -32.764 1.00 29.07 H +ATOM 3395 HG3 GLN A1102 -5.755 5.277 -35.050 1.00 37.94 H +ATOM 3396 HG2 GLN A1102 -6.095 6.985 -35.164 1.00 37.94 H +ATOM 3397 HE22 GLN A1102 -8.960 4.358 -36.266 1.00 43.70 H +ATOM 3398 HE21 GLN A1102 -7.316 3.889 -35.901 1.00 43.70 H +ATOM 3399 N SER A1103 -4.496 6.236 -30.218 1.00 26.76 N +ATOM 3400 CA SER A1103 -4.636 6.266 -28.758 1.00 25.27 C +ATOM 3401 C SER A1103 -4.416 7.666 -28.134 1.00 28.60 C +ATOM 3402 O SER A1103 -3.673 8.456 -28.717 1.00 28.62 O +ATOM 3403 CB SER A1103 -3.733 5.180 -28.139 1.00 27.32 C +ATOM 3404 OG SER A1103 -2.362 5.531 -28.107 1.00 35.29 O +ATOM 3405 H SER A1103 -3.775 5.633 -30.588 1.00 26.76 H +ATOM 3406 HA SER A1103 -5.664 5.963 -28.587 1.00 25.27 H +ATOM 3407 HB3 SER A1103 -3.855 4.235 -28.667 1.00 27.32 H +ATOM 3408 HB2 SER A1103 -4.052 4.997 -27.114 1.00 27.32 H +ATOM 3409 HG SER A1103 -1.996 5.451 -28.995 1.00 35.29 H +ATOM 3410 N PRO A1104 -5.039 7.954 -26.962 1.00 25.17 N +ATOM 3411 CA PRO A1104 -4.893 9.264 -26.293 1.00 24.67 C +ATOM 3412 C PRO A1104 -3.456 9.762 -26.008 1.00 26.87 C +ATOM 3413 O PRO A1104 -3.206 10.927 -26.311 1.00 25.99 O +ATOM 3414 CB PRO A1104 -5.768 9.172 -25.030 1.00 26.01 C +ATOM 3415 CG PRO A1104 -6.761 8.063 -25.336 1.00 29.46 C +ATOM 3416 CD PRO A1104 -5.996 7.109 -26.241 1.00 25.85 C +ATOM 3417 HA PRO A1104 -5.359 9.984 -26.965 1.00 24.67 H +ATOM 3418 HB3 PRO A1104 -6.271 10.113 -24.806 1.00 26.01 H +ATOM 3419 HB2 PRO A1104 -5.186 8.913 -24.146 1.00 26.01 H +ATOM 3420 HG3 PRO A1104 -7.598 8.483 -25.894 1.00 29.46 H +ATOM 3421 HG2 PRO A1104 -7.161 7.577 -24.447 1.00 29.46 H +ATOM 3422 HD2 PRO A1104 -5.453 6.369 -25.652 1.00 25.85 H +ATOM 3423 HD3 PRO A1104 -6.704 6.583 -26.879 1.00 25.85 H +ATOM 3424 N PRO A1105 -2.512 8.903 -25.540 1.00 24.58 N +ATOM 3425 CA PRO A1105 -1.095 9.290 -25.409 1.00 24.76 C +ATOM 3426 C PRO A1105 -0.414 9.681 -26.728 1.00 29.78 C +ATOM 3427 O PRO A1105 0.275 10.696 -26.749 1.00 30.24 O +ATOM 3428 CB PRO A1105 -0.416 8.074 -24.751 1.00 25.88 C +ATOM 3429 CG PRO A1105 -1.547 7.335 -24.062 1.00 29.87 C +ATOM 3430 CD PRO A1105 -2.716 7.555 -25.010 1.00 25.57 C +ATOM 3431 HA PRO A1105 -1.051 10.139 -24.727 1.00 24.76 H +ATOM 3432 HB3 PRO A1105 0.372 8.361 -24.055 1.00 25.88 H +ATOM 3433 HB2 PRO A1105 0.031 7.420 -25.501 1.00 25.88 H +ATOM 3434 HG3 PRO A1105 -1.760 7.813 -23.106 1.00 29.87 H +ATOM 3435 HG2 PRO A1105 -1.332 6.283 -23.876 1.00 29.87 H +ATOM 3436 HD2 PRO A1105 -2.673 6.841 -25.829 1.00 25.57 H +ATOM 3437 HD3 PRO A1105 -3.660 7.421 -24.492 1.00 25.57 H +ATOM 3438 N THR A1106 -0.644 8.900 -27.798 1.00 26.99 N +ATOM 3439 CA THR A1106 -0.097 9.143 -29.134 1.00 27.47 C +ATOM 3440 C THR A1106 -0.563 10.483 -29.734 1.00 31.84 C +ATOM 3441 O THR A1106 0.284 11.263 -30.166 1.00 32.09 O +ATOM 3442 CB THR A1106 -0.470 7.995 -30.114 1.00 33.90 C +ATOM 3443 OG1 THR A1106 0.169 6.812 -29.680 1.00 35.61 O +ATOM 3444 CG2 THR A1106 -0.091 8.228 -31.588 1.00 32.59 C +ATOM 3445 H THR A1106 -1.225 8.079 -27.705 1.00 26.99 H +ATOM 3446 HA THR A1106 0.990 9.178 -29.039 1.00 27.47 H +ATOM 3447 HB THR A1106 -1.542 7.801 -30.070 1.00 33.90 H +ATOM 3448 HG1 THR A1106 1.077 6.817 -30.001 1.00 35.61 H +ATOM 3449 HG21 THR A1106 -0.167 7.307 -32.166 1.00 32.59 H +ATOM 3450 HG22 THR A1106 -0.747 8.958 -32.064 1.00 32.59 H +ATOM 3451 HG23 THR A1106 0.931 8.592 -31.679 1.00 32.59 H +ATOM 3452 N LYS A1107 -1.881 10.734 -29.718 1.00 27.48 N +ATOM 3453 CA LYS A1107 -2.498 11.914 -30.325 1.00 28.03 C +ATOM 3454 C LYS A1107 -2.239 13.220 -29.553 1.00 32.41 C +ATOM 3455 O LYS A1107 -2.116 14.260 -30.199 1.00 32.90 O +ATOM 3456 CB LYS A1107 -4.004 11.655 -30.524 1.00 29.00 C +ATOM 3457 CG LYS A1107 -4.332 10.463 -31.452 1.00 40.91 C +ATOM 3458 CD LYS A1107 -3.799 10.551 -32.893 1.00 47.46 C +ATOM 3459 CE LYS A1107 -4.424 11.691 -33.711 1.00 56.00 C +ATOM 3460 NZ LYS A1107 -3.900 11.720 -35.087 1.00 65.65 N1+ +ATOM 3461 H LYS A1107 -2.514 10.051 -29.322 1.00 27.48 H +ATOM 3462 HA LYS A1107 -2.042 12.056 -31.305 1.00 28.03 H +ATOM 3463 HB3 LYS A1107 -4.486 12.553 -30.910 1.00 29.00 H +ATOM 3464 HB2 LYS A1107 -4.459 11.467 -29.551 1.00 29.00 H +ATOM 3465 HG3 LYS A1107 -5.412 10.339 -31.485 1.00 40.91 H +ATOM 3466 HG2 LYS A1107 -3.949 9.546 -31.011 1.00 40.91 H +ATOM 3467 HD3 LYS A1107 -3.999 9.605 -33.395 1.00 47.46 H +ATOM 3468 HD2 LYS A1107 -2.713 10.638 -32.883 1.00 47.46 H +ATOM 3469 HE3 LYS A1107 -4.217 12.652 -33.244 1.00 56.00 H +ATOM 3470 HE2 LYS A1107 -5.507 11.575 -33.750 1.00 56.00 H +ATOM 3471 HZ1 LYS A1107 -2.898 11.867 -35.052 1.00 65.65 H +ATOM 3472 HZ2 LYS A1107 -4.094 10.843 -35.549 1.00 65.65 H +ATOM 3473 HZ3 LYS A1107 -4.332 12.478 -35.596 1.00 65.65 H +ATOM 3474 N PHE A1108 -2.117 13.159 -28.214 1.00 27.91 N +ATOM 3475 CA PHE A1108 -1.728 14.312 -27.396 1.00 26.74 C +ATOM 3476 C PHE A1108 -0.225 14.638 -27.463 1.00 30.76 C +ATOM 3477 O PHE A1108 0.112 15.819 -27.437 1.00 31.53 O +ATOM 3478 CB PHE A1108 -2.223 14.161 -25.939 1.00 27.18 C +ATOM 3479 CG PHE A1108 -3.708 14.423 -25.709 1.00 27.38 C +ATOM 3480 CD1 PHE A1108 -4.294 15.643 -26.113 1.00 29.59 C +ATOM 3481 CD2 PHE A1108 -4.499 13.500 -24.989 1.00 28.32 C +ATOM 3482 CE1 PHE A1108 -5.631 15.902 -25.840 1.00 30.31 C +ATOM 3483 CE2 PHE A1108 -5.834 13.775 -24.728 1.00 29.39 C +ATOM 3484 CZ PHE A1108 -6.397 14.972 -25.151 1.00 28.52 C +ATOM 3485 H PHE A1108 -2.248 12.280 -27.730 1.00 27.91 H +ATOM 3486 HA PHE A1108 -2.218 15.191 -27.816 1.00 26.74 H +ATOM 3487 HB3 PHE A1108 -1.680 14.842 -25.282 1.00 27.18 H +ATOM 3488 HB2 PHE A1108 -1.976 13.159 -25.590 1.00 27.18 H +ATOM 3489 HD1 PHE A1108 -3.706 16.390 -26.627 1.00 29.59 H +ATOM 3490 HD2 PHE A1108 -4.075 12.576 -24.629 1.00 28.32 H +ATOM 3491 HE1 PHE A1108 -6.075 16.835 -26.155 1.00 30.31 H +ATOM 3492 HE2 PHE A1108 -6.435 13.059 -24.188 1.00 29.39 H +ATOM 3493 HZ PHE A1108 -7.436 15.180 -24.942 1.00 28.52 H +ATOM 3494 N LEU A1109 0.650 13.622 -27.593 1.00 27.77 N +ATOM 3495 CA LEU A1109 2.100 13.811 -27.752 1.00 28.51 C +ATOM 3496 C LEU A1109 2.516 14.255 -29.168 1.00 34.25 C +ATOM 3497 O LEU A1109 3.626 14.765 -29.315 1.00 34.88 O +ATOM 3498 CB LEU A1109 2.860 12.542 -27.309 1.00 28.11 C +ATOM 3499 CG LEU A1109 2.842 12.310 -25.779 1.00 32.10 C +ATOM 3500 CD1 LEU A1109 3.338 10.893 -25.419 1.00 30.45 C +ATOM 3501 CD2 LEU A1109 3.605 13.410 -25.010 1.00 36.17 C +ATOM 3502 H LEU A1109 0.319 12.666 -27.597 1.00 27.77 H +ATOM 3503 HA LEU A1109 2.404 14.626 -27.095 1.00 28.51 H +ATOM 3504 HB3 LEU A1109 3.901 12.592 -27.634 1.00 28.11 H +ATOM 3505 HB2 LEU A1109 2.437 11.682 -27.830 1.00 28.11 H +ATOM 3506 HG LEU A1109 1.804 12.362 -25.449 1.00 32.10 H +ATOM 3507 HD11 LEU A1109 2.593 10.366 -24.822 1.00 30.45 H +ATOM 3508 HD12 LEU A1109 3.521 10.287 -26.306 1.00 30.45 H +ATOM 3509 HD13 LEU A1109 4.266 10.903 -24.848 1.00 30.45 H +ATOM 3510 HD21 LEU A1109 4.230 13.014 -24.210 1.00 36.17 H +ATOM 3511 HD22 LEU A1109 4.255 13.987 -25.667 1.00 36.17 H +ATOM 3512 HD23 LEU A1109 2.908 14.111 -24.549 1.00 36.17 H +ATOM 3513 N GLU A1110 1.626 14.116 -30.166 1.00 32.96 N +ATOM 3514 CA GLU A1110 1.757 14.754 -31.480 1.00 35.44 C +ATOM 3515 C GLU A1110 1.538 16.278 -31.416 1.00 38.81 C +ATOM 3516 O GLU A1110 2.214 17.004 -32.143 1.00 38.69 O +ATOM 3517 CB GLU A1110 0.776 14.106 -32.477 1.00 36.99 C +ATOM 3518 CG GLU A1110 1.234 12.724 -32.992 1.00 47.30 C +ATOM 3519 CD GLU A1110 0.184 11.941 -33.801 1.00 70.21 C +ATOM 3520 OE1 GLU A1110 -0.902 12.492 -34.093 1.00 64.58 O +ATOM 3521 OE2 GLU A1110 0.490 10.773 -34.124 1.00 65.32 O1- +ATOM 3522 H GLU A1110 0.748 13.648 -29.986 1.00 32.96 H +ATOM 3523 HA GLU A1110 2.773 14.593 -31.847 1.00 35.44 H +ATOM 3524 HB3 GLU A1110 0.605 14.769 -33.327 1.00 36.99 H +ATOM 3525 HB2 GLU A1110 -0.188 13.999 -31.980 1.00 36.99 H +ATOM 3526 HG3 GLU A1110 1.562 12.107 -32.159 1.00 47.30 H +ATOM 3527 HG2 GLU A1110 2.115 12.857 -33.622 1.00 47.30 H +ATOM 3528 N LEU A1111 0.621 16.731 -30.540 1.00 35.92 N +ATOM 3529 CA LEU A1111 0.318 18.147 -30.309 1.00 37.14 C +ATOM 3530 C LEU A1111 1.372 18.829 -29.418 1.00 40.62 C +ATOM 3531 O LEU A1111 1.740 19.971 -29.693 1.00 41.55 O +ATOM 3532 CB LEU A1111 -1.087 18.286 -29.673 1.00 36.92 C +ATOM 3533 CG LEU A1111 -2.260 17.801 -30.555 1.00 41.87 C +ATOM 3534 CD1 LEU A1111 -3.572 17.728 -29.743 1.00 41.05 C +ATOM 3535 CD2 LEU A1111 -2.410 18.636 -31.845 1.00 44.81 C +ATOM 3536 H LEU A1111 0.107 16.071 -29.975 1.00 35.92 H +ATOM 3537 HA LEU A1111 0.322 18.664 -31.270 1.00 37.14 H +ATOM 3538 HB3 LEU A1111 -1.265 19.329 -29.406 1.00 36.92 H +ATOM 3539 HB2 LEU A1111 -1.100 17.738 -28.731 1.00 36.92 H +ATOM 3540 HG LEU A1111 -2.038 16.781 -30.864 1.00 41.87 H +ATOM 3541 HD11 LEU A1111 -4.009 16.731 -29.803 1.00 41.05 H +ATOM 3542 HD12 LEU A1111 -3.410 17.942 -28.686 1.00 41.05 H +ATOM 3543 HD13 LEU A1111 -4.325 18.435 -30.089 1.00 41.05 H +ATOM 3544 HD21 LEU A1111 -3.440 18.931 -32.041 1.00 44.81 H +ATOM 3545 HD22 LEU A1111 -1.820 19.552 -31.810 1.00 44.81 H +ATOM 3546 HD23 LEU A1111 -2.074 18.066 -32.712 1.00 44.81 H +ATOM 3547 N ILE A1112 1.827 18.124 -28.368 1.00 34.80 N +ATOM 3548 CA ILE A1112 2.759 18.628 -27.356 1.00 34.93 C +ATOM 3549 C ILE A1112 4.230 18.572 -27.815 1.00 40.11 C +ATOM 3550 O ILE A1112 4.994 19.473 -27.471 1.00 41.74 O +ATOM 3551 CB ILE A1112 2.614 17.819 -26.027 1.00 36.99 C +ATOM 3552 CG1 ILE A1112 1.226 18.047 -25.391 1.00 35.84 C +ATOM 3553 CG2 ILE A1112 3.707 18.065 -24.963 1.00 37.00 C +ATOM 3554 CD1 ILE A1112 0.810 16.938 -24.417 1.00 35.00 C +ATOM 3555 H ILE A1112 1.452 17.199 -28.201 1.00 34.80 H +ATOM 3556 HA ILE A1112 2.514 19.672 -27.148 1.00 34.93 H +ATOM 3557 HB ILE A1112 2.677 16.764 -26.294 1.00 36.99 H +ATOM 3558 HG13 ILE A1112 0.460 18.112 -26.162 1.00 35.84 H +ATOM 3559 HG12 ILE A1112 1.208 19.011 -24.881 1.00 35.84 H +ATOM 3560 HG21 ILE A1112 3.496 17.533 -24.036 1.00 37.00 H +ATOM 3561 HG22 ILE A1112 4.688 17.726 -25.289 1.00 37.00 H +ATOM 3562 HG23 ILE A1112 3.786 19.123 -24.726 1.00 37.00 H +ATOM 3563 HD11 ILE A1112 -0.272 16.926 -24.293 1.00 35.00 H +ATOM 3564 HD12 ILE A1112 1.106 15.951 -24.774 1.00 35.00 H +ATOM 3565 HD13 ILE A1112 1.261 17.086 -23.438 1.00 35.00 H +ATOM 3566 N GLY A1113 4.598 17.509 -28.549 1.00 36.74 N +ATOM 3567 CA GLY A1113 5.986 17.125 -28.807 1.00 38.59 C +ATOM 3568 C GLY A1113 6.458 16.152 -27.712 1.00 41.94 C +ATOM 3569 O GLY A1113 5.723 15.847 -26.772 1.00 39.30 O +ATOM 3570 H GLY A1113 3.896 16.830 -28.812 1.00 36.74 H +ATOM 3571 HA3 GLY A1113 6.645 17.994 -28.846 1.00 38.59 H +ATOM 3572 HA2 GLY A1113 6.038 16.630 -29.777 1.00 38.59 H +ATOM 3573 N ILE A1114 7.697 15.653 -27.849 1.00 41.30 N +ATOM 3574 CA ILE A1114 8.305 14.668 -26.942 1.00 41.02 C +ATOM 3575 C ILE A1114 9.607 15.170 -26.275 1.00 47.14 C +ATOM 3576 O ILE A1114 10.221 14.411 -25.524 1.00 48.03 O +ATOM 3577 CB ILE A1114 8.578 13.319 -27.673 1.00 43.24 C +ATOM 3578 CG1 ILE A1114 9.541 13.438 -28.881 1.00 44.89 C +ATOM 3579 CG2 ILE A1114 7.256 12.629 -28.061 1.00 42.60 C +ATOM 3580 CD1 ILE A1114 10.047 12.085 -29.402 1.00 50.07 C +ATOM 3581 H ILE A1114 8.254 15.920 -28.647 1.00 41.30 H +ATOM 3582 HA ILE A1114 7.632 14.455 -26.109 1.00 41.02 H +ATOM 3583 HB ILE A1114 9.054 12.649 -26.955 1.00 43.24 H +ATOM 3584 HG13 ILE A1114 10.411 14.042 -28.624 1.00 44.89 H +ATOM 3585 HG12 ILE A1114 9.044 13.969 -29.694 1.00 44.89 H +ATOM 3586 HG21 ILE A1114 7.425 11.627 -28.454 1.00 42.60 H +ATOM 3587 HG22 ILE A1114 6.597 12.528 -27.198 1.00 42.60 H +ATOM 3588 HG23 ILE A1114 6.716 13.194 -28.821 1.00 42.60 H +ATOM 3589 HD11 ILE A1114 10.937 12.217 -30.019 1.00 50.07 H +ATOM 3590 HD12 ILE A1114 10.311 11.414 -28.585 1.00 50.07 H +ATOM 3591 HD13 ILE A1114 9.294 11.590 -30.015 1.00 50.07 H +ATOM 3592 N ALA A1115 9.991 16.433 -26.530 1.00 42.26 N +ATOM 3593 CA ALA A1115 11.194 17.067 -25.991 1.00 43.31 C +ATOM 3594 C ALA A1115 10.820 18.401 -25.327 1.00 48.36 C +ATOM 3595 O ALA A1115 11.240 19.462 -25.791 1.00 49.43 O +ATOM 3596 CB ALA A1115 12.223 17.220 -27.127 1.00 45.24 C +ATOM 3597 H ALA A1115 9.424 17.010 -27.133 1.00 42.26 H +ATOM 3598 HA ALA A1115 11.645 16.449 -25.212 1.00 43.31 H +ATOM 3599 HB1 ALA A1115 13.140 17.690 -26.770 1.00 45.24 H +ATOM 3600 HB2 ALA A1115 12.495 16.247 -27.537 1.00 45.24 H +ATOM 3601 HB3 ALA A1115 11.832 17.826 -27.946 1.00 45.24 H +ATOM 3602 N GLN A1116 10.012 18.309 -24.258 1.00 44.35 N +ATOM 3603 CA GLN A1116 9.464 19.450 -23.516 1.00 44.30 C +ATOM 3604 C GLN A1116 9.925 19.478 -22.046 1.00 49.79 C +ATOM 3605 O GLN A1116 9.447 20.327 -21.292 1.00 49.85 O +ATOM 3606 CB GLN A1116 7.918 19.420 -23.615 1.00 44.27 C +ATOM 3607 CG GLN A1116 7.347 19.441 -25.051 1.00 53.29 C +ATOM 3608 CD GLN A1116 7.835 20.599 -25.930 1.00 72.09 C +ATOM 3609 OE1 GLN A1116 8.158 20.396 -27.098 1.00 65.48 O +ATOM 3610 NE2 GLN A1116 7.883 21.818 -25.389 1.00 65.05 N +ATOM 3611 H GLN A1116 9.716 17.395 -23.938 1.00 44.35 H +ATOM 3612 HA GLN A1116 9.827 20.386 -23.941 1.00 44.30 H +ATOM 3613 HB3 GLN A1116 7.499 20.263 -23.064 1.00 44.27 H +ATOM 3614 HB2 GLN A1116 7.541 18.532 -23.106 1.00 44.27 H +ATOM 3615 HG3 GLN A1116 6.262 19.478 -25.007 1.00 53.29 H +ATOM 3616 HG2 GLN A1116 7.588 18.503 -25.555 1.00 53.29 H +ATOM 3617 HE22 GLN A1116 8.200 22.601 -25.942 1.00 65.05 H +ATOM 3618 HE21 GLN A1116 7.607 21.967 -24.430 1.00 65.05 H +ATOM 3619 N GLY A1117 10.844 18.574 -21.657 1.00 46.41 N +ATOM 3620 CA GLY A1117 11.368 18.465 -20.296 1.00 44.66 C +ATOM 3621 C GLY A1117 10.279 17.930 -19.358 1.00 42.63 C +ATOM 3622 O GLY A1117 9.610 16.945 -19.673 1.00 37.23 O +ATOM 3623 H GLY A1117 11.190 17.910 -22.334 1.00 46.41 H +ATOM 3624 HA3 GLY A1117 11.738 19.434 -19.957 1.00 44.66 H +ATOM 3625 HA2 GLY A1117 12.213 17.776 -20.293 1.00 44.66 H +ATOM 3626 N GLN A1118 10.122 18.593 -18.202 1.00 39.82 N +ATOM 3627 CA GLN A1118 9.103 18.311 -17.187 1.00 38.37 C +ATOM 3628 C GLN A1118 7.702 18.861 -17.532 1.00 40.30 C +ATOM 3629 O GLN A1118 6.772 18.611 -16.767 1.00 41.07 O +ATOM 3630 CB GLN A1118 9.579 18.887 -15.835 1.00 41.27 C +ATOM 3631 CG GLN A1118 10.836 18.198 -15.270 1.00 52.25 C +ATOM 3632 CD GLN A1118 11.326 18.877 -13.990 1.00 66.80 C +ATOM 3633 OE1 GLN A1118 11.669 20.058 -14.005 1.00 64.29 O +ATOM 3634 NE2 GLN A1118 11.383 18.133 -12.884 1.00 50.92 N +ATOM 3635 H GLN A1118 10.710 19.396 -18.014 1.00 39.82 H +ATOM 3636 HA GLN A1118 9.006 17.229 -17.079 1.00 38.37 H +ATOM 3637 HB3 GLN A1118 8.784 18.797 -15.092 1.00 41.27 H +ATOM 3638 HB2 GLN A1118 9.757 19.958 -15.946 1.00 41.27 H +ATOM 3639 HG3 GLN A1118 11.650 18.234 -15.995 1.00 52.25 H +ATOM 3640 HG2 GLN A1118 10.632 17.142 -15.085 1.00 52.25 H +ATOM 3641 HE22 GLN A1118 11.710 18.541 -12.020 1.00 50.92 H +ATOM 3642 HE21 GLN A1118 11.099 17.164 -12.899 1.00 50.92 H +ATOM 3643 N MET A1119 7.569 19.615 -18.638 1.00 34.93 N +ATOM 3644 CA MET A1119 6.375 20.393 -18.980 1.00 34.58 C +ATOM 3645 C MET A1119 5.309 19.636 -19.797 1.00 34.58 C +ATOM 3646 O MET A1119 4.432 20.303 -20.340 1.00 34.71 O +ATOM 3647 CB MET A1119 6.788 21.702 -19.694 1.00 38.63 C +ATOM 3648 CG MET A1119 7.827 22.543 -18.940 1.00 44.95 C +ATOM 3649 SD MET A1119 8.154 24.140 -19.731 1.00 52.97 S +ATOM 3650 CE MET A1119 9.330 24.826 -18.536 1.00 51.70 C +ATOM 3651 H MET A1119 8.371 19.756 -19.237 1.00 34.93 H +ATOM 3652 HA MET A1119 5.885 20.689 -18.052 1.00 34.58 H +ATOM 3653 HB3 MET A1119 5.908 22.328 -19.853 1.00 38.63 H +ATOM 3654 HB2 MET A1119 7.169 21.473 -20.690 1.00 38.63 H +ATOM 3655 HG3 MET A1119 8.773 22.006 -18.862 1.00 44.95 H +ATOM 3656 HG2 MET A1119 7.483 22.729 -17.922 1.00 44.95 H +ATOM 3657 HE1 MET A1119 9.653 25.818 -18.853 1.00 51.70 H +ATOM 3658 HE2 MET A1119 8.868 24.912 -17.553 1.00 51.70 H +ATOM 3659 HE3 MET A1119 10.208 24.186 -18.455 1.00 51.70 H +ATOM 3660 N THR A1120 5.357 18.294 -19.887 1.00 29.62 N +ATOM 3661 CA THR A1120 4.382 17.500 -20.655 1.00 28.01 C +ATOM 3662 C THR A1120 2.922 17.666 -20.173 1.00 30.48 C +ATOM 3663 O THR A1120 2.044 17.875 -21.008 1.00 31.09 O +ATOM 3664 CB THR A1120 4.714 15.984 -20.657 1.00 32.05 C +ATOM 3665 OG1 THR A1120 6.047 15.796 -21.089 1.00 33.94 O +ATOM 3666 CG2 THR A1120 3.806 15.122 -21.558 1.00 34.10 C +ATOM 3667 H THR A1120 6.099 17.780 -19.434 1.00 29.62 H +ATOM 3668 HA THR A1120 4.429 17.856 -21.687 1.00 28.01 H +ATOM 3669 HB THR A1120 4.654 15.596 -19.640 1.00 32.05 H +ATOM 3670 HG1 THR A1120 6.086 15.941 -22.042 1.00 33.94 H +ATOM 3671 HG21 THR A1120 4.157 14.090 -21.595 1.00 34.10 H +ATOM 3672 HG22 THR A1120 2.778 15.093 -21.197 1.00 34.10 H +ATOM 3673 HG23 THR A1120 3.789 15.501 -22.580 1.00 34.10 H +ATOM 3674 N VAL A1121 2.703 17.617 -18.846 1.00 28.98 N +ATOM 3675 CA VAL A1121 1.392 17.805 -18.215 1.00 29.28 C +ATOM 3676 C VAL A1121 0.911 19.271 -18.238 1.00 34.54 C +ATOM 3677 O VAL A1121 -0.286 19.494 -18.411 1.00 33.68 O +ATOM 3678 CB VAL A1121 1.377 17.249 -16.760 1.00 33.58 C +ATOM 3679 CG1 VAL A1121 0.177 17.681 -15.888 1.00 33.26 C +ATOM 3680 CG2 VAL A1121 1.457 15.714 -16.784 1.00 32.88 C +ATOM 3681 H VAL A1121 3.476 17.441 -18.218 1.00 28.98 H +ATOM 3682 HA VAL A1121 0.669 17.224 -18.791 1.00 29.28 H +ATOM 3683 HB VAL A1121 2.275 17.603 -16.253 1.00 33.58 H +ATOM 3684 HG11 VAL A1121 0.163 17.145 -14.938 1.00 33.26 H +ATOM 3685 HG12 VAL A1121 0.205 18.744 -15.644 1.00 33.26 H +ATOM 3686 HG13 VAL A1121 -0.765 17.478 -16.396 1.00 33.26 H +ATOM 3687 HG21 VAL A1121 1.485 15.304 -15.775 1.00 32.88 H +ATOM 3688 HG22 VAL A1121 0.594 15.285 -17.294 1.00 32.88 H +ATOM 3689 HG23 VAL A1121 2.350 15.362 -17.300 1.00 32.88 H +ATOM 3690 N LEU A1122 1.842 20.235 -18.115 1.00 32.43 N +ATOM 3691 CA LEU A1122 1.585 21.672 -18.261 1.00 33.01 C +ATOM 3692 C LEU A1122 1.097 22.028 -19.675 1.00 36.61 C +ATOM 3693 O LEU A1122 0.147 22.792 -19.813 1.00 35.87 O +ATOM 3694 CB LEU A1122 2.865 22.455 -17.871 1.00 35.17 C +ATOM 3695 CG LEU A1122 2.831 23.990 -18.076 1.00 42.10 C +ATOM 3696 CD1 LEU A1122 1.697 24.666 -17.275 1.00 43.87 C +ATOM 3697 CD2 LEU A1122 4.213 24.615 -17.788 1.00 45.28 C +ATOM 3698 H LEU A1122 2.802 19.973 -17.936 1.00 32.43 H +ATOM 3699 HA LEU A1122 0.790 21.933 -17.561 1.00 33.01 H +ATOM 3700 HB3 LEU A1122 3.699 22.056 -18.448 1.00 35.17 H +ATOM 3701 HB2 LEU A1122 3.102 22.243 -16.827 1.00 35.17 H +ATOM 3702 HG LEU A1122 2.640 24.189 -19.131 1.00 42.10 H +ATOM 3703 HD11 LEU A1122 2.023 25.573 -16.765 1.00 43.87 H +ATOM 3704 HD12 LEU A1122 0.879 24.954 -17.937 1.00 43.87 H +ATOM 3705 HD13 LEU A1122 1.280 24.004 -16.515 1.00 43.87 H +ATOM 3706 HD21 LEU A1122 4.553 25.207 -18.639 1.00 45.28 H +ATOM 3707 HD22 LEU A1122 4.206 25.272 -16.919 1.00 45.28 H +ATOM 3708 HD23 LEU A1122 4.975 23.858 -17.601 1.00 45.28 H +ATOM 3709 N ARG A1123 1.746 21.445 -20.692 1.00 32.17 N +ATOM 3710 CA ARG A1123 1.467 21.679 -22.105 1.00 32.60 C +ATOM 3711 C ARG A1123 0.200 20.951 -22.588 1.00 33.95 C +ATOM 3712 O ARG A1123 -0.493 21.472 -23.462 1.00 32.13 O +ATOM 3713 CB ARG A1123 2.736 21.303 -22.888 1.00 37.04 C +ATOM 3714 CG ARG A1123 2.892 21.997 -24.254 1.00 59.77 C +ATOM 3715 CD ARG A1123 4.363 22.141 -24.691 1.00 74.58 C +ATOM 3716 NE ARG A1123 5.119 23.067 -23.819 1.00 91.08 N +ATOM 3717 CZ ARG A1123 5.295 24.392 -23.966 1.00107.84 C +ATOM 3718 NH1 ARG A1123 4.844 25.057 -25.040 1.00 95.16 N +ATOM 3719 NH2 ARG A1123 5.939 25.067 -23.005 1.00 96.44 N1+ +ATOM 3720 H ARG A1123 2.526 20.832 -20.491 1.00 32.17 H +ATOM 3721 HA ARG A1123 1.305 22.752 -22.216 1.00 32.60 H +ATOM 3722 HB3 ARG A1123 2.821 20.221 -22.983 1.00 37.04 H +ATOM 3723 HB2 ARG A1123 3.583 21.603 -22.275 1.00 37.04 H +ATOM 3724 HG3 ARG A1123 2.490 23.004 -24.140 1.00 59.77 H +ATOM 3725 HG2 ARG A1123 2.293 21.525 -25.033 1.00 59.77 H +ATOM 3726 HD3 ARG A1123 4.461 22.348 -25.756 1.00 74.58 H +ATOM 3727 HD2 ARG A1123 4.854 21.184 -24.530 1.00 74.58 H +ATOM 3728 HE ARG A1123 5.455 22.651 -22.962 1.00 91.08 H +ATOM 3729 HH12 ARG A1123 4.979 26.054 -25.126 1.00 95.16 H +ATOM 3730 HH11 ARG A1123 4.356 24.557 -25.770 1.00 95.16 H +ATOM 3731 HH22 ARG A1123 6.066 26.066 -23.080 1.00 96.44 H +ATOM 3732 HH21 ARG A1123 6.276 24.592 -22.179 1.00 96.44 H +ATOM 3733 N LEU A1124 -0.112 19.805 -21.954 1.00 29.63 N +ATOM 3734 CA LEU A1124 -1.388 19.096 -22.055 1.00 27.63 C +ATOM 3735 C LEU A1124 -2.543 19.916 -21.454 1.00 32.17 C +ATOM 3736 O LEU A1124 -3.597 19.988 -22.075 1.00 30.80 O +ATOM 3737 CB LEU A1124 -1.248 17.704 -21.396 1.00 26.83 C +ATOM 3738 CG LEU A1124 -2.516 16.823 -21.323 1.00 30.02 C +ATOM 3739 CD1 LEU A1124 -3.141 16.553 -22.711 1.00 28.94 C +ATOM 3740 CD2 LEU A1124 -2.214 15.525 -20.543 1.00 30.63 C +ATOM 3741 H LEU A1124 0.538 19.434 -21.274 1.00 29.63 H +ATOM 3742 HA LEU A1124 -1.597 18.955 -23.116 1.00 27.63 H +ATOM 3743 HB3 LEU A1124 -0.887 17.844 -20.379 1.00 26.83 H +ATOM 3744 HB2 LEU A1124 -0.465 17.145 -21.905 1.00 26.83 H +ATOM 3745 HG LEU A1124 -3.267 17.355 -20.740 1.00 30.02 H +ATOM 3746 HD11 LEU A1124 -3.376 15.502 -22.874 1.00 28.94 H +ATOM 3747 HD12 LEU A1124 -4.075 17.103 -22.827 1.00 28.94 H +ATOM 3748 HD13 LEU A1124 -2.488 16.857 -23.527 1.00 28.94 H +ATOM 3749 HD21 LEU A1124 -2.585 14.631 -21.039 1.00 30.63 H +ATOM 3750 HD22 LEU A1124 -1.145 15.379 -20.382 1.00 30.63 H +ATOM 3751 HD23 LEU A1124 -2.678 15.549 -19.558 1.00 30.63 H +ATOM 3752 N THR A1125 -2.322 20.555 -20.291 1.00 30.97 N +ATOM 3753 CA THR A1125 -3.292 21.455 -19.661 1.00 31.58 C +ATOM 3754 C THR A1125 -3.564 22.701 -20.526 1.00 35.29 C +ATOM 3755 O THR A1125 -4.728 23.042 -20.712 1.00 34.46 O +ATOM 3756 CB THR A1125 -2.835 21.924 -18.252 1.00 40.93 C +ATOM 3757 OG1 THR A1125 -2.671 20.794 -17.421 1.00 39.64 O +ATOM 3758 CG2 THR A1125 -3.789 22.892 -17.526 1.00 41.19 C +ATOM 3759 H THR A1125 -1.430 20.452 -19.824 1.00 30.97 H +ATOM 3760 HA THR A1125 -4.231 20.908 -19.552 1.00 31.58 H +ATOM 3761 HB THR A1125 -1.860 22.404 -18.322 1.00 40.93 H +ATOM 3762 HG1 THR A1125 -1.976 20.241 -17.794 1.00 39.64 H +ATOM 3763 HG21 THR A1125 -3.407 23.132 -16.535 1.00 41.19 H +ATOM 3764 HG22 THR A1125 -3.900 23.840 -18.054 1.00 41.19 H +ATOM 3765 HG23 THR A1125 -4.782 22.457 -17.407 1.00 41.19 H +ATOM 3766 N GLU A1126 -2.501 23.309 -21.082 1.00 33.17 N +ATOM 3767 CA GLU A1126 -2.564 24.482 -21.955 1.00 34.02 C +ATOM 3768 C GLU A1126 -3.392 24.279 -23.235 1.00 37.28 C +ATOM 3769 O GLU A1126 -4.216 25.145 -23.522 1.00 35.08 O +ATOM 3770 CB GLU A1126 -1.143 24.993 -22.262 1.00 36.83 C +ATOM 3771 CG GLU A1126 -0.506 25.747 -21.070 1.00 44.51 C +ATOM 3772 CD GLU A1126 0.990 26.084 -21.204 1.00 58.80 C +ATOM 3773 OE1 GLU A1126 1.481 26.792 -20.298 1.00 49.54 O +ATOM 3774 OE2 GLU A1126 1.634 25.646 -22.185 1.00 45.75 O1- +ATOM 3775 H GLU A1126 -1.572 22.967 -20.873 1.00 33.17 H +ATOM 3776 HA GLU A1126 -3.075 25.262 -21.386 1.00 34.02 H +ATOM 3777 HB3 GLU A1126 -1.153 25.649 -23.133 1.00 36.83 H +ATOM 3778 HB2 GLU A1126 -0.524 24.139 -22.539 1.00 36.83 H +ATOM 3779 HG3 GLU A1126 -0.641 25.179 -20.151 1.00 44.51 H +ATOM 3780 HG2 GLU A1126 -1.051 26.680 -20.919 1.00 44.51 H +ATOM 3781 N LEU A1127 -3.213 23.152 -23.954 1.00 34.11 N +ATOM 3782 CA LEU A1127 -4.014 22.845 -25.150 1.00 33.79 C +ATOM 3783 C LEU A1127 -5.491 22.548 -24.835 1.00 35.23 C +ATOM 3784 O LEU A1127 -6.346 22.943 -25.626 1.00 34.81 O +ATOM 3785 CB LEU A1127 -3.321 21.794 -26.055 1.00 33.69 C +ATOM 3786 CG LEU A1127 -3.213 20.336 -25.549 1.00 37.11 C +ATOM 3787 CD1 LEU A1127 -4.490 19.501 -25.786 1.00 35.27 C +ATOM 3788 CD2 LEU A1127 -1.978 19.633 -26.146 1.00 40.08 C +ATOM 3789 H LEU A1127 -2.527 22.467 -23.671 1.00 34.11 H +ATOM 3790 HA LEU A1127 -4.026 23.762 -25.744 1.00 33.79 H +ATOM 3791 HB3 LEU A1127 -2.314 22.167 -26.235 1.00 33.69 H +ATOM 3792 HB2 LEU A1127 -3.792 21.791 -27.039 1.00 33.69 H +ATOM 3793 HG LEU A1127 -3.048 20.386 -24.476 1.00 37.11 H +ATOM 3794 HD11 LEU A1127 -4.753 18.940 -24.890 1.00 35.27 H +ATOM 3795 HD12 LEU A1127 -5.351 20.108 -26.056 1.00 35.27 H +ATOM 3796 HD13 LEU A1127 -4.367 18.778 -26.592 1.00 35.27 H +ATOM 3797 HD21 LEU A1127 -2.160 18.585 -26.384 1.00 40.08 H +ATOM 3798 HD22 LEU A1127 -1.629 20.117 -27.058 1.00 40.08 H +ATOM 3799 HD23 LEU A1127 -1.156 19.657 -25.433 1.00 40.08 H +ATOM 3800 N LEU A1128 -5.779 21.925 -23.675 1.00 30.68 N +ATOM 3801 CA LEU A1128 -7.149 21.698 -23.203 1.00 29.82 C +ATOM 3802 C LEU A1128 -7.868 23.003 -22.796 1.00 37.95 C +ATOM 3803 O LEU A1128 -9.078 23.099 -23.001 1.00 37.53 O +ATOM 3804 CB LEU A1128 -7.182 20.679 -22.042 1.00 28.63 C +ATOM 3805 CG LEU A1128 -6.730 19.245 -22.401 1.00 31.65 C +ATOM 3806 CD1 LEU A1128 -6.586 18.387 -21.126 1.00 31.42 C +ATOM 3807 CD2 LEU A1128 -7.611 18.567 -23.467 1.00 31.56 C +ATOM 3808 H LEU A1128 -5.032 21.625 -23.062 1.00 30.68 H +ATOM 3809 HA LEU A1128 -7.696 21.275 -24.042 1.00 29.82 H +ATOM 3810 HB3 LEU A1128 -8.195 20.625 -21.642 1.00 28.63 H +ATOM 3811 HB2 LEU A1128 -6.560 21.058 -21.229 1.00 28.63 H +ATOM 3812 HG LEU A1128 -5.745 19.305 -22.850 1.00 31.65 H +ATOM 3813 HD11 LEU A1128 -5.551 18.077 -20.987 1.00 31.42 H +ATOM 3814 HD12 LEU A1128 -6.877 18.930 -20.226 1.00 31.42 H +ATOM 3815 HD13 LEU A1128 -7.192 17.482 -21.154 1.00 31.42 H +ATOM 3816 HD21 LEU A1128 -7.634 17.483 -23.356 1.00 31.56 H +ATOM 3817 HD22 LEU A1128 -8.638 18.927 -23.434 1.00 31.56 H +ATOM 3818 HD23 LEU A1128 -7.222 18.763 -24.465 1.00 31.56 H +ATOM 3819 N GLU A1129 -7.122 23.993 -22.277 1.00 37.30 N +ATOM 3820 CA GLU A1129 -7.628 25.331 -21.956 1.00 38.66 C +ATOM 3821 C GLU A1129 -7.904 26.197 -23.204 1.00 42.10 C +ATOM 3822 O GLU A1129 -8.801 27.037 -23.141 1.00 42.78 O +ATOM 3823 CB GLU A1129 -6.670 26.032 -20.967 1.00 41.41 C +ATOM 3824 CG GLU A1129 -6.622 25.388 -19.556 1.00 54.54 C +ATOM 3825 CD GLU A1129 -7.801 25.679 -18.612 1.00 90.90 C +ATOM 3826 OE1 GLU A1129 -8.677 26.501 -18.958 1.00 94.26 O +ATOM 3827 OE2 GLU A1129 -7.797 25.060 -17.524 1.00 91.13 O1- +ATOM 3828 H GLU A1129 -6.137 23.838 -22.107 1.00 37.30 H +ATOM 3829 HA GLU A1129 -8.591 25.207 -21.456 1.00 38.66 H +ATOM 3830 HB3 GLU A1129 -6.907 27.094 -20.890 1.00 41.41 H +ATOM 3831 HB2 GLU A1129 -5.662 26.002 -21.380 1.00 41.41 H +ATOM 3832 HG3 GLU A1129 -5.711 25.719 -19.055 1.00 54.54 H +ATOM 3833 HG2 GLU A1129 -6.543 24.307 -19.642 1.00 54.54 H +ATOM 3834 N ARG A1130 -7.195 25.946 -24.324 1.00 37.87 N +ATOM 3835 CA ARG A1130 -7.499 26.535 -25.639 1.00 37.84 C +ATOM 3836 C ARG A1130 -8.697 25.873 -26.351 1.00 41.63 C +ATOM 3837 O ARG A1130 -9.138 26.406 -27.369 1.00 42.60 O +ATOM 3838 CB ARG A1130 -6.265 26.498 -26.566 1.00 37.09 C +ATOM 3839 CG ARG A1130 -5.073 27.342 -26.080 1.00 43.14 C +ATOM 3840 CD ARG A1130 -4.008 27.588 -27.166 1.00 47.74 C +ATOM 3841 NE ARG A1130 -3.331 26.356 -27.610 1.00 51.85 N +ATOM 3842 CZ ARG A1130 -2.239 25.772 -27.088 1.00 60.61 C +ATOM 3843 NH1 ARG A1130 -1.609 26.260 -26.010 1.00 54.41 N +ATOM 3844 NH2 ARG A1130 -1.770 24.664 -27.673 1.00 41.74 N1+ +ATOM 3845 H ARG A1130 -6.458 25.254 -24.302 1.00 37.87 H +ATOM 3846 HA ARG A1130 -7.769 27.582 -25.491 1.00 37.84 H +ATOM 3847 HB3 ARG A1130 -6.554 26.873 -27.549 1.00 37.09 H +ATOM 3848 HB2 ARG A1130 -5.950 25.465 -26.724 1.00 37.09 H +ATOM 3849 HG3 ARG A1130 -4.609 26.808 -25.257 1.00 43.14 H +ATOM 3850 HG2 ARG A1130 -5.394 28.295 -25.660 1.00 43.14 H +ATOM 3851 HD3 ARG A1130 -3.308 28.371 -26.873 1.00 47.74 H +ATOM 3852 HD2 ARG A1130 -4.508 27.966 -28.058 1.00 47.74 H +ATOM 3853 HE ARG A1130 -3.771 25.882 -28.391 1.00 51.85 H +ATOM 3854 HH12 ARG A1130 -0.771 25.815 -25.659 1.00 54.41 H +ATOM 3855 HH11 ARG A1130 -1.965 27.084 -25.548 1.00 54.41 H +ATOM 3856 HH22 ARG A1130 -0.975 24.169 -27.288 1.00 41.74 H +ATOM 3857 HH21 ARG A1130 -2.235 24.287 -28.490 1.00 41.74 H +ATOM 3858 N GLY A1131 -9.207 24.747 -25.824 1.00 36.22 N +ATOM 3859 CA GLY A1131 -10.366 24.048 -26.376 1.00 35.40 C +ATOM 3860 C GLY A1131 -9.974 22.960 -27.390 1.00 37.10 C +ATOM 3861 O GLY A1131 -10.871 22.416 -28.034 1.00 36.00 O +ATOM 3862 H GLY A1131 -8.801 24.371 -24.979 1.00 36.22 H +ATOM 3863 HA3 GLY A1131 -11.060 24.747 -26.845 1.00 35.40 H +ATOM 3864 HA2 GLY A1131 -10.909 23.585 -25.554 1.00 35.40 H +ATOM 3865 N GLU A1132 -8.676 22.623 -27.532 1.00 32.13 N +ATOM 3866 CA GLU A1132 -8.205 21.537 -28.397 1.00 31.71 C +ATOM 3867 C GLU A1132 -8.525 20.162 -27.793 1.00 33.67 C +ATOM 3868 O GLU A1132 -8.257 19.935 -26.613 1.00 31.64 O +ATOM 3869 CB GLU A1132 -6.694 21.640 -28.670 1.00 33.82 C +ATOM 3870 CG GLU A1132 -6.247 22.982 -29.287 1.00 48.90 C +ATOM 3871 CD GLU A1132 -4.778 23.022 -29.744 1.00 65.96 C +ATOM 3872 OE1 GLU A1132 -4.195 21.948 -30.019 1.00 51.67 O +ATOM 3873 OE2 GLU A1132 -4.249 24.151 -29.826 1.00 68.15 O1- +ATOM 3874 H GLU A1132 -7.970 23.086 -26.976 1.00 32.13 H +ATOM 3875 HA GLU A1132 -8.720 21.634 -29.353 1.00 31.71 H +ATOM 3876 HB3 GLU A1132 -6.426 20.815 -29.330 1.00 33.82 H +ATOM 3877 HB2 GLU A1132 -6.135 21.468 -27.752 1.00 33.82 H +ATOM 3878 HG3 GLU A1132 -6.417 23.786 -28.569 1.00 48.90 H +ATOM 3879 HG2 GLU A1132 -6.869 23.208 -30.154 1.00 48.90 H +ATOM 3880 N ARG A1133 -9.080 19.277 -28.631 1.00 30.19 N +ATOM 3881 CA ARG A1133 -9.515 17.933 -28.263 1.00 28.71 C +ATOM 3882 C ARG A1133 -8.945 16.892 -29.230 1.00 31.32 C +ATOM 3883 O ARG A1133 -8.505 17.230 -30.331 1.00 31.52 O +ATOM 3884 CB ARG A1133 -11.063 17.876 -28.305 1.00 28.69 C +ATOM 3885 CG ARG A1133 -11.789 18.793 -27.309 1.00 29.69 C +ATOM 3886 CD ARG A1133 -11.505 18.482 -25.831 1.00 29.80 C +ATOM 3887 NE ARG A1133 -12.141 19.468 -24.947 1.00 30.88 N +ATOM 3888 CZ ARG A1133 -11.592 20.560 -24.393 1.00 38.38 C +ATOM 3889 NH1 ARG A1133 -10.317 20.890 -24.594 1.00 29.25 N +ATOM 3890 NH2 ARG A1133 -12.340 21.342 -23.612 1.00 30.33 N1+ +ATOM 3891 H ARG A1133 -9.223 19.537 -29.599 1.00 30.19 H +ATOM 3892 HA ARG A1133 -9.150 17.666 -27.270 1.00 28.71 H +ATOM 3893 HB3 ARG A1133 -11.401 16.856 -28.123 1.00 28.69 H +ATOM 3894 HB2 ARG A1133 -11.407 18.118 -29.312 1.00 28.69 H +ATOM 3895 HG3 ARG A1133 -12.848 18.588 -27.471 1.00 29.69 H +ATOM 3896 HG2 ARG A1133 -11.659 19.851 -27.538 1.00 29.69 H +ATOM 3897 HD3 ARG A1133 -10.455 18.302 -25.603 1.00 29.80 H +ATOM 3898 HD2 ARG A1133 -12.018 17.554 -25.586 1.00 29.80 H +ATOM 3899 HE ARG A1133 -13.129 19.321 -24.780 1.00 30.88 H +ATOM 3900 HH12 ARG A1133 -9.923 21.702 -24.135 1.00 29.25 H +ATOM 3901 HH11 ARG A1133 -9.733 20.336 -25.209 1.00 29.25 H +ATOM 3902 HH22 ARG A1133 -11.950 22.154 -23.148 1.00 30.33 H +ATOM 3903 HH21 ARG A1133 -13.297 21.079 -23.419 1.00 30.33 H +ATOM 3904 N LEU A1134 -9.055 15.621 -28.811 1.00 26.90 N +ATOM 3905 CA LEU A1134 -8.918 14.425 -29.644 1.00 26.48 C +ATOM 3906 C LEU A1134 -9.928 14.480 -30.815 1.00 31.07 C +ATOM 3907 O LEU A1134 -11.084 14.845 -30.581 1.00 29.22 O +ATOM 3908 CB LEU A1134 -9.227 13.190 -28.766 1.00 25.80 C +ATOM 3909 CG LEU A1134 -8.165 12.863 -27.694 1.00 28.43 C +ATOM 3910 CD1 LEU A1134 -8.717 11.905 -26.614 1.00 27.29 C +ATOM 3911 CD2 LEU A1134 -6.854 12.349 -28.325 1.00 31.24 C +ATOM 3912 H LEU A1134 -9.416 15.453 -27.879 1.00 26.90 H +ATOM 3913 HA LEU A1134 -7.887 14.406 -29.992 1.00 26.48 H +ATOM 3914 HB3 LEU A1134 -9.362 12.309 -29.394 1.00 25.80 H +ATOM 3915 HB2 LEU A1134 -10.189 13.350 -28.280 1.00 25.80 H +ATOM 3916 HG LEU A1134 -7.928 13.796 -27.183 1.00 28.43 H +ATOM 3917 HD11 LEU A1134 -8.755 12.402 -25.644 1.00 27.29 H +ATOM 3918 HD12 LEU A1134 -9.729 11.570 -26.840 1.00 27.29 H +ATOM 3919 HD13 LEU A1134 -8.107 11.011 -26.487 1.00 27.29 H +ATOM 3920 HD21 LEU A1134 -5.992 12.885 -27.926 1.00 31.24 H +ATOM 3921 HD22 LEU A1134 -6.697 11.289 -28.144 1.00 31.24 H +ATOM 3922 HD23 LEU A1134 -6.840 12.471 -29.408 1.00 31.24 H +ATOM 3923 N PRO A1135 -9.478 14.161 -32.051 1.00 29.27 N +ATOM 3924 CA PRO A1135 -10.320 14.269 -33.257 1.00 29.71 C +ATOM 3925 C PRO A1135 -11.484 13.263 -33.276 1.00 33.63 C +ATOM 3926 O PRO A1135 -11.495 12.320 -32.486 1.00 33.51 O +ATOM 3927 CB PRO A1135 -9.324 14.011 -34.400 1.00 32.38 C +ATOM 3928 CG PRO A1135 -8.283 13.086 -33.794 1.00 35.83 C +ATOM 3929 CD PRO A1135 -8.159 13.605 -32.368 1.00 30.45 C +ATOM 3930 HA PRO A1135 -10.734 15.274 -33.346 1.00 29.71 H +ATOM 3931 HB3 PRO A1135 -8.853 14.953 -34.686 1.00 32.38 H +ATOM 3932 HB2 PRO A1135 -9.779 13.590 -35.298 1.00 32.38 H +ATOM 3933 HG3 PRO A1135 -7.340 13.077 -34.339 1.00 35.83 H +ATOM 3934 HG2 PRO A1135 -8.673 12.068 -33.776 1.00 35.83 H +ATOM 3935 HD2 PRO A1135 -7.859 12.805 -31.691 1.00 30.45 H +ATOM 3936 HD3 PRO A1135 -7.419 14.404 -32.314 1.00 30.45 H +ATOM 3937 N ARG A1136 -12.446 13.482 -34.185 1.00 30.63 N +ATOM 3938 CA ARG A1136 -13.533 12.542 -34.459 1.00 30.68 C +ATOM 3939 C ARG A1136 -12.962 11.261 -35.110 1.00 36.51 C +ATOM 3940 O ARG A1136 -12.376 11.380 -36.188 1.00 36.37 O +ATOM 3941 CB ARG A1136 -14.560 13.241 -35.376 1.00 28.69 C +ATOM 3942 CG ARG A1136 -15.806 12.379 -35.679 1.00 33.51 C +ATOM 3943 CD ARG A1136 -16.847 13.056 -36.590 1.00 37.56 C +ATOM 3944 NE ARG A1136 -16.358 13.227 -37.972 1.00 52.22 N +ATOM 3945 CZ ARG A1136 -16.281 12.291 -38.939 1.00 71.16 C +ATOM 3946 NH1 ARG A1136 -15.733 12.618 -40.115 1.00 60.58 N +ATOM 3947 NH2 ARG A1136 -16.728 11.038 -38.774 1.00 53.25 N1+ +ATOM 3948 H ARG A1136 -12.389 14.291 -34.792 1.00 30.63 H +ATOM 3949 HA ARG A1136 -14.039 12.330 -33.523 1.00 30.68 H +ATOM 3950 HB3 ARG A1136 -14.076 13.535 -36.309 1.00 28.69 H +ATOM 3951 HB2 ARG A1136 -14.883 14.169 -34.905 1.00 28.69 H +ATOM 3952 HG3 ARG A1136 -16.278 12.004 -34.771 1.00 33.51 H +ATOM 3953 HG2 ARG A1136 -15.454 11.489 -36.199 1.00 33.51 H +ATOM 3954 HD3 ARG A1136 -16.998 14.074 -36.231 1.00 37.56 H +ATOM 3955 HD2 ARG A1136 -17.825 12.577 -36.532 1.00 37.56 H +ATOM 3956 HE ARG A1136 -15.982 14.141 -38.177 1.00 52.22 H +ATOM 3957 HH12 ARG A1136 -15.652 11.923 -40.844 1.00 60.58 H +ATOM 3958 HH11 ARG A1136 -15.382 13.551 -40.280 1.00 60.58 H +ATOM 3959 HH22 ARG A1136 -16.634 10.363 -39.522 1.00 53.25 H +ATOM 3960 HH21 ARG A1136 -17.185 10.766 -37.912 1.00 53.25 H +ATOM 3961 N PRO A1137 -13.133 10.074 -34.473 1.00 34.19 N +ATOM 3962 CA PRO A1137 -12.794 8.777 -35.100 1.00 34.79 C +ATOM 3963 C PRO A1137 -13.518 8.551 -36.438 1.00 39.69 C +ATOM 3964 O PRO A1137 -14.654 9.000 -36.591 1.00 37.63 O +ATOM 3965 CB PRO A1137 -13.235 7.730 -34.059 1.00 35.61 C +ATOM 3966 CG PRO A1137 -13.270 8.479 -32.741 1.00 38.50 C +ATOM 3967 CD PRO A1137 -13.716 9.872 -33.145 1.00 34.62 C +ATOM 3968 HA PRO A1137 -11.711 8.740 -35.234 1.00 34.79 H +ATOM 3969 HB3 PRO A1137 -12.572 6.866 -34.029 1.00 35.61 H +ATOM 3970 HB2 PRO A1137 -14.230 7.351 -34.286 1.00 35.61 H +ATOM 3971 HG3 PRO A1137 -12.259 8.534 -32.343 1.00 38.50 H +ATOM 3972 HG2 PRO A1137 -13.904 8.021 -31.984 1.00 38.50 H +ATOM 3973 HD2 PRO A1137 -14.802 9.926 -33.221 1.00 34.62 H +ATOM 3974 HD3 PRO A1137 -13.386 10.595 -32.401 1.00 34.62 H +ATOM 3975 N ASP A1138 -12.853 7.868 -37.383 1.00 39.28 N +ATOM 3976 CA ASP A1138 -13.426 7.546 -38.693 1.00 41.69 C +ATOM 3977 C ASP A1138 -14.685 6.666 -38.532 1.00 47.14 C +ATOM 3978 O ASP A1138 -14.612 5.633 -37.867 1.00 46.83 O +ATOM 3979 CB ASP A1138 -12.387 6.871 -39.624 1.00 45.59 C +ATOM 3980 CG ASP A1138 -12.841 6.652 -41.080 1.00 68.02 C +ATOM 3981 OD1 ASP A1138 -13.557 7.527 -41.620 1.00 70.17 O +ATOM 3982 OD2 ASP A1138 -12.365 5.662 -41.676 1.00 78.75 O1- +ATOM 3983 H ASP A1138 -11.925 7.516 -37.195 1.00 39.28 H +ATOM 3984 HA ASP A1138 -13.719 8.501 -39.135 1.00 41.69 H +ATOM 3985 HB3 ASP A1138 -12.074 5.921 -39.186 1.00 45.59 H +ATOM 3986 HB2 ASP A1138 -11.481 7.478 -39.648 1.00 45.59 H +ATOM 3987 N LYS A1139 -15.800 7.116 -39.131 1.00 45.46 N +ATOM 3988 CA LYS A1139 -17.138 6.507 -39.107 1.00 46.10 C +ATOM 3989 C LYS A1139 -17.911 6.699 -37.781 1.00 48.03 C +ATOM 3990 O LYS A1139 -19.010 6.158 -37.663 1.00 49.27 O +ATOM 3991 CB LYS A1139 -17.123 5.027 -39.585 1.00 50.14 C +ATOM 3992 CG LYS A1139 -16.482 4.798 -40.972 1.00 69.71 C +ATOM 3993 CD LYS A1139 -17.332 5.278 -42.167 1.00 83.93 C +ATOM 3994 CE LYS A1139 -18.382 4.259 -42.647 1.00 98.25 C +ATOM 3995 NZ LYS A1139 -17.770 3.130 -43.374 1.00107.70 N1+ +ATOM 3996 H LYS A1139 -15.734 7.966 -39.674 1.00 45.46 H +ATOM 3997 HA LYS A1139 -17.712 7.081 -39.834 1.00 46.10 H +ATOM 3998 HB3 LYS A1139 -18.137 4.626 -39.598 1.00 50.14 H +ATOM 3999 HB2 LYS A1139 -16.590 4.415 -38.858 1.00 50.14 H +ATOM 4000 HG3 LYS A1139 -16.252 3.738 -41.079 1.00 69.71 H +ATOM 4001 HG2 LYS A1139 -15.512 5.290 -41.017 1.00 69.71 H +ATOM 4002 HD3 LYS A1139 -16.672 5.557 -42.990 1.00 83.93 H +ATOM 4003 HD2 LYS A1139 -17.850 6.199 -41.901 1.00 83.93 H +ATOM 4004 HE3 LYS A1139 -19.082 4.749 -43.326 1.00 98.25 H +ATOM 4005 HE2 LYS A1139 -18.968 3.879 -41.809 1.00 98.25 H +ATOM 4006 HZ1 LYS A1139 -17.132 2.641 -42.762 1.00107.70 H +ATOM 4007 HZ2 LYS A1139 -18.490 2.494 -43.686 1.00107.70 H +ATOM 4008 HZ3 LYS A1139 -17.261 3.480 -44.174 1.00107.70 H +ATOM 4009 N CYS A1140 -17.379 7.501 -36.836 1.00 40.64 N +ATOM 4010 CA CYS A1140 -18.096 7.964 -35.642 1.00 37.44 C +ATOM 4011 C CYS A1140 -19.135 9.023 -36.075 1.00 40.28 C +ATOM 4012 O CYS A1140 -18.716 10.015 -36.674 1.00 40.75 O +ATOM 4013 CB CYS A1140 -17.119 8.571 -34.608 1.00 35.57 C +ATOM 4014 SG CYS A1140 -17.956 9.233 -33.132 1.00 37.88 S +ATOM 4015 H CYS A1140 -16.464 7.904 -36.986 1.00 40.64 H +ATOM 4016 HA CYS A1140 -18.547 7.094 -35.169 1.00 37.44 H +ATOM 4017 HB3 CYS A1140 -16.551 9.391 -35.044 1.00 35.57 H +ATOM 4018 HB2 CYS A1140 -16.407 7.814 -34.285 1.00 35.57 H +ATOM 4019 HG CYS A1140 -18.601 10.222 -33.759 1.00 37.88 H +ATOM 4020 N PRO A1141 -20.442 8.825 -35.776 1.00 34.69 N +ATOM 4021 CA PRO A1141 -21.483 9.846 -36.018 1.00 34.83 C +ATOM 4022 C PRO A1141 -21.161 11.214 -35.391 1.00 36.98 C +ATOM 4023 O PRO A1141 -20.604 11.262 -34.294 1.00 34.16 O +ATOM 4024 CB PRO A1141 -22.754 9.238 -35.404 1.00 36.57 C +ATOM 4025 CG PRO A1141 -22.512 7.741 -35.389 1.00 40.74 C +ATOM 4026 CD PRO A1141 -21.014 7.635 -35.148 1.00 36.09 C +ATOM 4027 HA PRO A1141 -21.603 9.941 -37.099 1.00 34.83 H +ATOM 4028 HB3 PRO A1141 -23.645 9.500 -35.973 1.00 36.57 H +ATOM 4029 HB2 PRO A1141 -22.903 9.592 -34.384 1.00 36.57 H +ATOM 4030 HG3 PRO A1141 -22.751 7.330 -36.371 1.00 40.74 H +ATOM 4031 HG2 PRO A1141 -23.108 7.209 -34.648 1.00 40.74 H +ATOM 4032 HD2 PRO A1141 -20.788 7.650 -34.081 1.00 36.09 H +ATOM 4033 HD3 PRO A1141 -20.634 6.709 -35.576 1.00 36.09 H +ATOM 4034 N ALA A1142 -21.496 12.292 -36.118 1.00 34.46 N +ATOM 4035 CA ALA A1142 -21.237 13.677 -35.716 1.00 34.01 C +ATOM 4036 C ALA A1142 -21.858 14.063 -34.363 1.00 35.94 C +ATOM 4037 O ALA A1142 -21.196 14.741 -33.582 1.00 33.77 O +ATOM 4038 CB ALA A1142 -21.717 14.626 -36.823 1.00 35.94 C +ATOM 4039 H ALA A1142 -21.956 12.168 -37.008 1.00 34.46 H +ATOM 4040 HA ALA A1142 -20.155 13.788 -35.623 1.00 34.01 H +ATOM 4041 HB1 ALA A1142 -21.528 15.667 -36.559 1.00 35.94 H +ATOM 4042 HB2 ALA A1142 -21.199 14.427 -37.761 1.00 35.94 H +ATOM 4043 HB3 ALA A1142 -22.788 14.519 -37.005 1.00 35.94 H +ATOM 4044 N GLU A1143 -23.085 13.585 -34.095 1.00 34.04 N +ATOM 4045 CA GLU A1143 -23.816 13.835 -32.853 1.00 34.34 C +ATOM 4046 C GLU A1143 -23.305 12.992 -31.664 1.00 35.13 C +ATOM 4047 O GLU A1143 -23.390 13.458 -30.528 1.00 31.94 O +ATOM 4048 CB GLU A1143 -25.318 13.650 -33.135 1.00 37.10 C +ATOM 4049 CG GLU A1143 -26.246 14.080 -31.978 1.00 51.53 C +ATOM 4050 CD GLU A1143 -27.740 14.125 -32.340 1.00 70.35 C +ATOM 4051 OE1 GLU A1143 -28.153 13.422 -33.291 1.00 77.38 O +ATOM 4052 OE2 GLU A1143 -28.460 14.869 -31.638 1.00 51.45 O1- +ATOM 4053 H GLU A1143 -23.564 13.026 -34.790 1.00 34.04 H +ATOM 4054 HA GLU A1143 -23.664 14.883 -32.589 1.00 34.34 H +ATOM 4055 HB3 GLU A1143 -25.505 12.606 -33.385 1.00 37.10 H +ATOM 4056 HB2 GLU A1143 -25.577 14.225 -34.027 1.00 37.10 H +ATOM 4057 HG3 GLU A1143 -25.936 15.065 -31.626 1.00 51.53 H +ATOM 4058 HG2 GLU A1143 -26.129 13.400 -31.134 1.00 51.53 H +ATOM 4059 N VAL A1144 -22.731 11.805 -31.940 1.00 32.23 N +ATOM 4060 CA VAL A1144 -22.009 10.987 -30.957 1.00 30.46 C +ATOM 4061 C VAL A1144 -20.648 11.617 -30.584 1.00 31.37 C +ATOM 4062 O VAL A1144 -20.236 11.503 -29.430 1.00 28.93 O +ATOM 4063 CB VAL A1144 -21.807 9.523 -31.459 1.00 34.90 C +ATOM 4064 CG1 VAL A1144 -20.858 8.650 -30.606 1.00 34.06 C +ATOM 4065 CG2 VAL A1144 -23.162 8.803 -31.593 1.00 35.48 C +ATOM 4066 H VAL A1144 -22.686 11.488 -32.898 1.00 32.23 H +ATOM 4067 HA VAL A1144 -22.610 10.949 -30.046 1.00 30.46 H +ATOM 4068 HB VAL A1144 -21.371 9.566 -32.457 1.00 34.90 H +ATOM 4069 HG11 VAL A1144 -20.841 7.622 -30.969 1.00 34.06 H +ATOM 4070 HG12 VAL A1144 -19.827 9.004 -30.638 1.00 34.06 H +ATOM 4071 HG13 VAL A1144 -21.173 8.625 -29.562 1.00 34.06 H +ATOM 4072 HG21 VAL A1144 -23.040 7.798 -31.997 1.00 35.48 H +ATOM 4073 HG22 VAL A1144 -23.654 8.713 -30.625 1.00 35.48 H +ATOM 4074 HG23 VAL A1144 -23.843 9.336 -32.256 1.00 35.48 H +ATOM 4075 N TYR A1145 -20.010 12.320 -31.540 1.00 28.72 N +ATOM 4076 CA TYR A1145 -18.815 13.130 -31.305 1.00 28.17 C +ATOM 4077 C TYR A1145 -19.111 14.402 -30.483 1.00 32.85 C +ATOM 4078 O TYR A1145 -18.270 14.789 -29.676 1.00 32.29 O +ATOM 4079 CB TYR A1145 -18.111 13.449 -32.643 1.00 29.44 C +ATOM 4080 CG TYR A1145 -16.805 14.215 -32.495 1.00 31.74 C +ATOM 4081 CD1 TYR A1145 -15.727 13.605 -31.826 1.00 33.16 C +ATOM 4082 CD2 TYR A1145 -16.667 15.532 -32.980 1.00 33.69 C +ATOM 4083 CE1 TYR A1145 -14.533 14.312 -31.597 1.00 33.08 C +ATOM 4084 CE2 TYR A1145 -15.457 16.230 -32.785 1.00 34.55 C +ATOM 4085 CZ TYR A1145 -14.395 15.627 -32.079 1.00 36.66 C +ATOM 4086 OH TYR A1145 -13.233 16.310 -31.864 1.00 35.20 O +ATOM 4087 H TYR A1145 -20.399 12.353 -32.473 1.00 28.72 H +ATOM 4088 HA TYR A1145 -18.129 12.519 -30.716 1.00 28.17 H +ATOM 4089 HB3 TYR A1145 -18.775 14.007 -33.302 1.00 29.44 H +ATOM 4090 HB2 TYR A1145 -17.894 12.516 -33.163 1.00 29.44 H +ATOM 4091 HD1 TYR A1145 -15.827 12.586 -31.495 1.00 33.16 H +ATOM 4092 HD2 TYR A1145 -17.486 16.012 -33.496 1.00 33.69 H +ATOM 4093 HE1 TYR A1145 -13.720 13.833 -31.071 1.00 33.08 H +ATOM 4094 HE2 TYR A1145 -15.352 17.237 -33.161 1.00 34.55 H +ATOM 4095 HH TYR A1145 -12.591 15.787 -31.372 1.00 35.20 H +ATOM 4096 N HIS A1146 -20.303 15.000 -30.665 1.00 31.34 N +ATOM 4097 CA HIS A1146 -20.779 16.145 -29.881 1.00 31.80 C +ATOM 4098 C HIS A1146 -21.146 15.778 -28.433 1.00 32.90 C +ATOM 4099 O HIS A1146 -20.947 16.611 -27.550 1.00 31.97 O +ATOM 4100 CB HIS A1146 -21.955 16.843 -30.592 1.00 33.81 C +ATOM 4101 CG HIS A1146 -21.650 17.391 -31.965 1.00 37.86 C +ATOM 4102 ND1 HIS A1146 -22.623 17.473 -32.968 1.00 40.76 N +ATOM 4103 CD2 HIS A1146 -20.458 17.881 -32.464 1.00 39.65 C +ATOM 4104 CE1 HIS A1146 -21.991 17.984 -34.016 1.00 40.91 C +ATOM 4105 NE2 HIS A1146 -20.706 18.244 -33.776 1.00 40.63 N +ATOM 4106 H HIS A1146 -20.940 14.639 -31.363 1.00 31.34 H +ATOM 4107 HA HIS A1146 -19.959 16.864 -29.820 1.00 31.80 H +ATOM 4108 HB3 HIS A1146 -22.316 17.675 -29.985 1.00 33.81 H +ATOM 4109 HB2 HIS A1146 -22.794 16.152 -30.679 1.00 33.81 H +ATOM 4110 HD2 HIS A1146 -19.485 17.986 -32.008 1.00 39.65 H +ATOM 4111 HE1 HIS A1146 -22.472 18.171 -34.965 1.00 40.91 H +ATOM 4112 HE2 HIS A1146 -20.043 18.638 -34.428 1.00 40.63 H +ATOM 4113 N LEU A1147 -21.611 14.536 -28.202 1.00 29.07 N +ATOM 4114 CA LEU A1147 -21.778 13.940 -26.872 1.00 28.56 C +ATOM 4115 C LEU A1147 -20.424 13.756 -26.160 1.00 31.25 C +ATOM 4116 O LEU A1147 -20.338 13.997 -24.958 1.00 29.28 O +ATOM 4117 CB LEU A1147 -22.590 12.626 -27.011 1.00 29.23 C +ATOM 4118 CG LEU A1147 -22.817 11.793 -25.720 1.00 34.50 C +ATOM 4119 CD1 LEU A1147 -24.077 10.917 -25.842 1.00 34.68 C +ATOM 4120 CD2 LEU A1147 -21.606 10.922 -25.312 1.00 36.84 C +ATOM 4121 H LEU A1147 -21.788 13.924 -28.986 1.00 29.07 H +ATOM 4122 HA LEU A1147 -22.369 14.632 -26.270 1.00 28.56 H +ATOM 4123 HB3 LEU A1147 -22.149 11.983 -27.771 1.00 29.23 H +ATOM 4124 HB2 LEU A1147 -23.558 12.917 -27.419 1.00 29.23 H +ATOM 4125 HG LEU A1147 -23.013 12.499 -24.911 1.00 34.50 H +ATOM 4126 HD11 LEU A1147 -24.525 10.753 -24.862 1.00 34.68 H +ATOM 4127 HD12 LEU A1147 -24.837 11.371 -26.478 1.00 34.68 H +ATOM 4128 HD13 LEU A1147 -23.850 9.940 -26.269 1.00 34.68 H +ATOM 4129 HD21 LEU A1147 -21.884 9.888 -25.107 1.00 36.84 H +ATOM 4130 HD22 LEU A1147 -20.841 10.896 -26.088 1.00 36.84 H +ATOM 4131 HD23 LEU A1147 -21.140 11.306 -24.405 1.00 36.84 H +ATOM 4132 N MET A1148 -19.396 13.361 -26.929 1.00 29.35 N +ATOM 4133 CA MET A1148 -18.014 13.182 -26.484 1.00 30.67 C +ATOM 4134 C MET A1148 -17.339 14.513 -26.107 1.00 31.09 C +ATOM 4135 O MET A1148 -16.638 14.554 -25.099 1.00 28.70 O +ATOM 4136 CB MET A1148 -17.240 12.431 -27.592 1.00 34.60 C +ATOM 4137 CG MET A1148 -16.460 11.203 -27.102 1.00 40.60 C +ATOM 4138 SD MET A1148 -16.144 9.982 -28.405 1.00 46.94 S +ATOM 4139 CE MET A1148 -14.969 10.895 -29.430 1.00 42.17 C +ATOM 4140 H MET A1148 -19.567 13.172 -27.907 1.00 29.35 H +ATOM 4141 HA MET A1148 -18.055 12.563 -25.586 1.00 30.67 H +ATOM 4142 HB3 MET A1148 -16.552 13.112 -28.095 1.00 34.60 H +ATOM 4143 HB2 MET A1148 -17.922 12.103 -28.375 1.00 34.60 H +ATOM 4144 HG3 MET A1148 -17.018 10.688 -26.320 1.00 40.60 H +ATOM 4145 HG2 MET A1148 -15.515 11.514 -26.657 1.00 40.60 H +ATOM 4146 HE1 MET A1148 -14.862 10.415 -30.402 1.00 42.17 H +ATOM 4147 HE2 MET A1148 -15.302 11.918 -29.569 1.00 42.17 H +ATOM 4148 HE3 MET A1148 -13.997 10.931 -28.953 1.00 42.17 H +ATOM 4149 N LYS A1149 -17.598 15.580 -26.886 1.00 27.88 N +ATOM 4150 CA LYS A1149 -17.154 16.946 -26.595 1.00 27.39 C +ATOM 4151 C LYS A1149 -17.917 17.609 -25.435 1.00 30.73 C +ATOM 4152 O LYS A1149 -17.329 18.451 -24.759 1.00 30.19 O +ATOM 4153 CB LYS A1149 -17.207 17.818 -27.865 1.00 30.13 C +ATOM 4154 CG LYS A1149 -16.108 17.472 -28.889 1.00 40.57 C +ATOM 4155 CD LYS A1149 -15.915 18.539 -29.980 1.00 49.92 C +ATOM 4156 CE LYS A1149 -15.173 19.793 -29.484 1.00 55.31 C +ATOM 4157 NZ LYS A1149 -14.911 20.746 -30.577 1.00 61.18 N1+ +ATOM 4158 H LYS A1149 -18.158 15.460 -27.720 1.00 27.88 H +ATOM 4159 HA LYS A1149 -16.112 16.888 -26.279 1.00 27.39 H +ATOM 4160 HB3 LYS A1149 -17.079 18.859 -27.571 1.00 30.13 H +ATOM 4161 HB2 LYS A1149 -18.193 17.764 -28.329 1.00 30.13 H +ATOM 4162 HG3 LYS A1149 -16.348 16.522 -29.364 1.00 40.57 H +ATOM 4163 HG2 LYS A1149 -15.157 17.313 -28.382 1.00 40.57 H +ATOM 4164 HD3 LYS A1149 -16.890 18.818 -30.383 1.00 49.92 H +ATOM 4165 HD2 LYS A1149 -15.361 18.095 -30.805 1.00 49.92 H +ATOM 4166 HE3 LYS A1149 -14.215 19.514 -29.049 1.00 55.31 H +ATOM 4167 HE2 LYS A1149 -15.743 20.306 -28.710 1.00 55.31 H +ATOM 4168 HZ1 LYS A1149 -14.403 21.541 -30.215 1.00 61.18 H +ATOM 4169 HZ2 LYS A1149 -14.362 20.296 -31.294 1.00 61.18 H +ATOM 4170 HZ3 LYS A1149 -15.788 21.058 -30.970 1.00 61.18 H +ATOM 4171 N ASN A1150 -19.178 17.207 -25.195 1.00 27.52 N +ATOM 4172 CA ASN A1150 -19.961 17.623 -24.027 1.00 27.53 C +ATOM 4173 C ASN A1150 -19.491 16.903 -22.745 1.00 29.61 C +ATOM 4174 O ASN A1150 -19.527 17.504 -21.674 1.00 29.79 O +ATOM 4175 CB ASN A1150 -21.466 17.425 -24.321 1.00 28.97 C +ATOM 4176 CG ASN A1150 -22.410 17.975 -23.243 1.00 41.34 C +ATOM 4177 OD1 ASN A1150 -23.302 17.265 -22.787 1.00 34.75 O +ATOM 4178 ND2 ASN A1150 -22.230 19.234 -22.833 1.00 35.14 N +ATOM 4179 H ASN A1150 -19.616 16.537 -25.812 1.00 27.52 H +ATOM 4180 HA ASN A1150 -19.788 18.690 -23.883 1.00 27.53 H +ATOM 4181 HB3 ASN A1150 -21.683 16.367 -24.477 1.00 28.97 H +ATOM 4182 HB2 ASN A1150 -21.722 17.929 -25.254 1.00 28.97 H +ATOM 4183 HD22 ASN A1150 -22.824 19.619 -22.112 1.00 35.14 H +ATOM 4184 HD21 ASN A1150 -21.495 19.813 -23.220 1.00 35.14 H +ATOM 4185 N CYS A1151 -18.978 15.668 -22.883 1.00 24.02 N +ATOM 4186 CA CYS A1151 -18.226 14.967 -21.839 1.00 24.87 C +ATOM 4187 C CYS A1151 -16.843 15.601 -21.590 1.00 28.35 C +ATOM 4188 O CYS A1151 -16.282 15.363 -20.527 1.00 26.56 O +ATOM 4189 CB CYS A1151 -18.067 13.466 -22.147 1.00 25.12 C +ATOM 4190 SG CYS A1151 -19.666 12.631 -21.997 1.00 29.56 S +ATOM 4191 H CYS A1151 -19.008 15.218 -23.787 1.00 24.02 H +ATOM 4192 HA CYS A1151 -18.778 15.060 -20.903 1.00 24.87 H +ATOM 4193 HB3 CYS A1151 -17.376 12.992 -21.451 1.00 25.12 H +ATOM 4194 HB2 CYS A1151 -17.671 13.297 -23.146 1.00 25.12 H +ATOM 4195 HG CYS A1151 -20.221 13.209 -23.068 1.00 29.56 H +ATOM 4196 N TRP A1152 -16.334 16.407 -22.539 1.00 24.56 N +ATOM 4197 CA TRP A1152 -15.064 17.120 -22.440 1.00 24.31 C +ATOM 4198 C TRP A1152 -15.252 18.648 -22.357 1.00 28.86 C +ATOM 4199 O TRP A1152 -14.462 19.368 -22.962 1.00 29.11 O +ATOM 4200 CB TRP A1152 -14.150 16.769 -23.635 1.00 23.52 C +ATOM 4201 CG TRP A1152 -13.769 15.351 -23.905 1.00 23.91 C +ATOM 4202 CD1 TRP A1152 -13.464 14.411 -22.983 1.00 26.64 C +ATOM 4203 CD2 TRP A1152 -13.493 14.748 -25.205 1.00 24.07 C +ATOM 4204 NE1 TRP A1152 -13.028 13.271 -23.624 1.00 25.72 N +ATOM 4205 CE2 TRP A1152 -13.021 13.419 -24.996 1.00 26.84 C +ATOM 4206 CE3 TRP A1152 -13.581 15.195 -26.545 1.00 25.78 C +ATOM 4207 CZ2 TRP A1152 -12.651 12.581 -26.063 1.00 25.92 C +ATOM 4208 CZ3 TRP A1152 -13.229 14.360 -27.624 1.00 27.26 C +ATOM 4209 CH2 TRP A1152 -12.760 13.055 -27.383 1.00 27.17 C +ATOM 4210 H TRP A1152 -16.861 16.563 -23.386 1.00 24.56 H +ATOM 4211 HA TRP A1152 -14.549 16.820 -21.531 1.00 24.31 H +ATOM 4212 HB3 TRP A1152 -13.195 17.278 -23.504 1.00 23.52 H +ATOM 4213 HB2 TRP A1152 -14.587 17.165 -24.551 1.00 23.52 H +ATOM 4214 HD1 TRP A1152 -13.530 14.552 -21.914 1.00 26.64 H +ATOM 4215 HE1 TRP A1152 -12.743 12.443 -23.118 1.00 25.72 H +ATOM 4216 HE3 TRP A1152 -13.922 16.199 -26.746 1.00 25.78 H +ATOM 4217 HZ2 TRP A1152 -12.280 11.586 -25.875 1.00 25.92 H +ATOM 4218 HZ3 TRP A1152 -13.304 14.727 -28.637 1.00 27.26 H +ATOM 4219 HH2 TRP A1152 -12.468 12.425 -28.209 1.00 27.17 H +ATOM 4220 N GLU A1153 -16.243 19.166 -21.612 1.00 25.75 N +ATOM 4221 CA GLU A1153 -16.288 20.607 -21.306 1.00 26.82 C +ATOM 4222 C GLU A1153 -15.165 20.957 -20.317 1.00 30.62 C +ATOM 4223 O GLU A1153 -14.982 20.213 -19.355 1.00 26.79 O +ATOM 4224 CB GLU A1153 -17.661 21.015 -20.731 1.00 28.38 C +ATOM 4225 CG GLU A1153 -18.853 20.780 -21.684 1.00 35.13 C +ATOM 4226 CD GLU A1153 -19.078 21.826 -22.787 1.00 54.88 C +ATOM 4227 OE1 GLU A1153 -18.283 22.786 -22.903 1.00 51.30 O +ATOM 4228 OE2 GLU A1153 -20.072 21.633 -23.523 1.00 50.04 O1- +ATOM 4229 H GLU A1153 -16.909 18.570 -21.143 1.00 25.75 H +ATOM 4230 HA GLU A1153 -16.126 21.170 -22.227 1.00 26.82 H +ATOM 4231 HB3 GLU A1153 -17.632 22.059 -20.419 1.00 28.38 H +ATOM 4232 HB2 GLU A1153 -17.847 20.473 -19.807 1.00 28.38 H +ATOM 4233 HG3 GLU A1153 -19.767 20.707 -21.096 1.00 35.13 H +ATOM 4234 HG2 GLU A1153 -18.736 19.816 -22.172 1.00 35.13 H +ATOM 4235 N THR A1154 -14.438 22.064 -20.561 1.00 30.88 N +ATOM 4236 CA THR A1154 -13.383 22.571 -19.668 1.00 31.88 C +ATOM 4237 C THR A1154 -13.939 22.913 -18.271 1.00 35.93 C +ATOM 4238 O THR A1154 -13.325 22.547 -17.269 1.00 35.75 O +ATOM 4239 CB THR A1154 -12.699 23.849 -20.233 1.00 43.66 C +ATOM 4240 OG1 THR A1154 -12.085 23.555 -21.471 1.00 44.97 O +ATOM 4241 CG2 THR A1154 -11.623 24.496 -19.338 1.00 43.44 C +ATOM 4242 H THR A1154 -14.652 22.640 -21.363 1.00 30.88 H +ATOM 4243 HA THR A1154 -12.631 21.787 -19.556 1.00 31.88 H +ATOM 4244 HB THR A1154 -13.464 24.600 -20.437 1.00 43.66 H +ATOM 4245 HG1 THR A1154 -11.510 24.290 -21.702 1.00 44.97 H +ATOM 4246 HG21 THR A1154 -11.136 25.325 -19.853 1.00 43.44 H +ATOM 4247 HG22 THR A1154 -12.041 24.904 -18.417 1.00 43.44 H +ATOM 4248 HG23 THR A1154 -10.847 23.781 -19.063 1.00 43.44 H +ATOM 4249 N GLU A1155 -15.129 23.536 -18.254 1.00 34.13 N +ATOM 4250 CA GLU A1155 -15.937 23.784 -17.069 1.00 35.75 C +ATOM 4251 C GLU A1155 -16.604 22.467 -16.627 1.00 37.89 C +ATOM 4252 O GLU A1155 -17.335 21.863 -17.414 1.00 35.58 O +ATOM 4253 CB GLU A1155 -16.967 24.873 -17.437 1.00 38.82 C +ATOM 4254 CG GLU A1155 -17.778 25.452 -16.258 1.00 56.26 C +ATOM 4255 CD GLU A1155 -17.038 26.450 -15.348 1.00 89.36 C +ATOM 4256 OE1 GLU A1155 -15.839 26.728 -15.577 1.00 94.02 O +ATOM 4257 OE2 GLU A1155 -17.704 26.925 -14.403 1.00 89.74 O1- +ATOM 4258 H GLU A1155 -15.563 23.781 -19.134 1.00 34.13 H +ATOM 4259 HA GLU A1155 -15.283 24.149 -16.275 1.00 35.75 H +ATOM 4260 HB3 GLU A1155 -17.672 24.451 -18.153 1.00 38.82 H +ATOM 4261 HB2 GLU A1155 -16.479 25.683 -17.982 1.00 38.82 H +ATOM 4262 HG3 GLU A1155 -18.176 24.641 -15.648 1.00 56.26 H +ATOM 4263 HG2 GLU A1155 -18.645 25.972 -16.663 1.00 56.26 H +ATOM 4264 N ALA A1156 -16.319 22.041 -15.385 1.00 35.19 N +ATOM 4265 CA ALA A1156 -16.766 20.766 -14.818 1.00 35.22 C +ATOM 4266 C ALA A1156 -18.288 20.639 -14.646 1.00 38.77 C +ATOM 4267 O ALA A1156 -18.817 19.540 -14.816 1.00 37.90 O +ATOM 4268 CB ALA A1156 -16.044 20.526 -13.484 1.00 36.33 C +ATOM 4269 H ALA A1156 -15.724 22.604 -14.793 1.00 35.19 H +ATOM 4270 HA ALA A1156 -16.466 19.984 -15.513 1.00 35.22 H +ATOM 4271 HB1 ALA A1156 -16.329 19.570 -13.043 1.00 36.33 H +ATOM 4272 HB2 ALA A1156 -14.962 20.512 -13.622 1.00 36.33 H +ATOM 4273 HB3 ALA A1156 -16.273 21.306 -12.757 1.00 36.33 H +ATOM 4274 N SER A1157 -18.958 21.763 -14.341 1.00 35.61 N +ATOM 4275 CA SER A1157 -20.409 21.866 -14.176 1.00 35.08 C +ATOM 4276 C SER A1157 -21.211 21.665 -15.479 1.00 37.46 C +ATOM 4277 O SER A1157 -22.359 21.228 -15.400 1.00 37.36 O +ATOM 4278 CB SER A1157 -20.732 23.206 -13.483 1.00 40.33 C +ATOM 4279 OG SER A1157 -20.526 24.317 -14.335 1.00 48.92 O +ATOM 4280 H SER A1157 -18.442 22.623 -14.209 1.00 35.61 H +ATOM 4281 HA SER A1157 -20.705 21.071 -13.490 1.00 35.08 H +ATOM 4282 HB3 SER A1157 -20.130 23.330 -12.582 1.00 40.33 H +ATOM 4283 HB2 SER A1157 -21.774 23.216 -13.163 1.00 40.33 H +ATOM 4284 HG SER A1157 -20.612 25.124 -13.820 1.00 48.92 H +ATOM 4285 N PHE A1158 -20.600 21.963 -16.641 1.00 32.83 N +ATOM 4286 CA PHE A1158 -21.225 21.832 -17.962 1.00 32.10 C +ATOM 4287 C PHE A1158 -21.262 20.383 -18.487 1.00 33.92 C +ATOM 4288 O PHE A1158 -22.027 20.112 -19.414 1.00 31.85 O +ATOM 4289 CB PHE A1158 -20.509 22.753 -18.976 1.00 33.90 C +ATOM 4290 CG PHE A1158 -20.583 24.263 -18.780 1.00 37.34 C +ATOM 4291 CD1 PHE A1158 -21.365 24.870 -17.770 1.00 41.32 C +ATOM 4292 CD2 PHE A1158 -19.866 25.090 -19.671 1.00 39.43 C +ATOM 4293 CE1 PHE A1158 -21.392 26.253 -17.648 1.00 43.51 C +ATOM 4294 CE2 PHE A1158 -19.906 26.471 -19.532 1.00 43.26 C +ATOM 4295 CZ PHE A1158 -20.663 27.049 -18.523 1.00 42.52 C +ATOM 4296 H PHE A1158 -19.654 22.318 -16.628 1.00 32.83 H +ATOM 4297 HA PHE A1158 -22.266 22.152 -17.891 1.00 32.10 H +ATOM 4298 HB3 PHE A1158 -20.891 22.555 -19.979 1.00 33.90 H +ATOM 4299 HB2 PHE A1158 -19.452 22.489 -19.006 1.00 33.90 H +ATOM 4300 HD1 PHE A1158 -21.944 24.280 -17.075 1.00 41.32 H +ATOM 4301 HD2 PHE A1158 -19.276 24.647 -20.460 1.00 39.43 H +ATOM 4302 HE1 PHE A1158 -21.982 26.712 -16.868 1.00 43.51 H +ATOM 4303 HE2 PHE A1158 -19.346 27.095 -20.212 1.00 43.26 H +ATOM 4304 HZ PHE A1158 -20.689 28.124 -18.419 1.00 42.52 H +ATOM 4305 N ARG A1159 -20.451 19.483 -17.901 1.00 27.94 N +ATOM 4306 CA ARG A1159 -20.401 18.062 -18.254 1.00 27.11 C +ATOM 4307 C ARG A1159 -21.635 17.307 -17.701 1.00 29.97 C +ATOM 4308 O ARG A1159 -22.017 17.562 -16.558 1.00 28.45 O +ATOM 4309 CB ARG A1159 -19.085 17.447 -17.725 1.00 27.28 C +ATOM 4310 CG ARG A1159 -17.826 18.123 -18.307 1.00 37.58 C +ATOM 4311 CD ARG A1159 -16.511 17.352 -18.102 1.00 43.51 C +ATOM 4312 NE ARG A1159 -16.026 17.327 -16.716 1.00 43.50 N +ATOM 4313 CZ ARG A1159 -14.971 17.962 -16.172 1.00 45.54 C +ATOM 4314 NH1 ARG A1159 -14.222 18.856 -16.830 1.00 36.88 N +ATOM 4315 NH2 ARG A1159 -14.648 17.676 -14.910 1.00 30.01 N1+ +ATOM 4316 H ARG A1159 -19.858 19.776 -17.138 1.00 27.94 H +ATOM 4317 HA ARG A1159 -20.378 18.025 -19.340 1.00 27.11 H +ATOM 4318 HB3 ARG A1159 -19.064 16.393 -18.001 1.00 27.28 H +ATOM 4319 HB2 ARG A1159 -19.056 17.476 -16.635 1.00 27.28 H +ATOM 4320 HG3 ARG A1159 -17.736 19.090 -17.808 1.00 37.58 H +ATOM 4321 HG2 ARG A1159 -17.947 18.333 -19.368 1.00 37.58 H +ATOM 4322 HD3 ARG A1159 -15.755 17.616 -18.840 1.00 43.51 H +ATOM 4323 HD2 ARG A1159 -16.727 16.298 -18.268 1.00 43.51 H +ATOM 4324 HE ARG A1159 -16.515 16.670 -16.123 1.00 43.50 H +ATOM 4325 HH12 ARG A1159 -13.443 19.305 -16.367 1.00 36.88 H +ATOM 4326 HH11 ARG A1159 -14.479 19.148 -17.766 1.00 36.88 H +ATOM 4327 HH22 ARG A1159 -13.828 18.092 -14.480 1.00 30.01 H +ATOM 4328 HH21 ARG A1159 -15.177 16.993 -14.389 1.00 30.01 H +ATOM 4329 N PRO A1160 -22.245 16.402 -18.505 1.00 26.80 N +ATOM 4330 CA PRO A1160 -23.417 15.614 -18.080 1.00 26.98 C +ATOM 4331 C PRO A1160 -23.023 14.501 -17.094 1.00 32.02 C +ATOM 4332 O PRO A1160 -22.041 13.808 -17.342 1.00 31.35 O +ATOM 4333 CB PRO A1160 -23.937 15.030 -19.406 1.00 28.34 C +ATOM 4334 CG PRO A1160 -22.695 14.855 -20.268 1.00 31.76 C +ATOM 4335 CD PRO A1160 -21.826 16.039 -19.861 1.00 27.47 C +ATOM 4336 HA PRO A1160 -24.178 16.252 -17.628 1.00 26.98 H +ATOM 4337 HB3 PRO A1160 -24.608 15.750 -19.876 1.00 28.34 H +ATOM 4338 HB2 PRO A1160 -24.491 14.098 -19.289 1.00 28.34 H +ATOM 4339 HG3 PRO A1160 -22.907 14.822 -21.337 1.00 31.76 H +ATOM 4340 HG2 PRO A1160 -22.192 13.923 -20.004 1.00 31.76 H +ATOM 4341 HD2 PRO A1160 -20.769 15.781 -19.915 1.00 27.47 H +ATOM 4342 HD3 PRO A1160 -22.012 16.890 -20.516 1.00 27.47 H +ATOM 4343 N THR A1161 -23.789 14.324 -16.007 1.00 29.10 N +ATOM 4344 CA THR A1161 -23.603 13.217 -15.056 1.00 28.91 C +ATOM 4345 C THR A1161 -23.827 11.838 -15.722 1.00 29.63 C +ATOM 4346 O THR A1161 -24.454 11.766 -16.780 1.00 26.66 O +ATOM 4347 CB THR A1161 -24.557 13.351 -13.832 1.00 34.86 C +ATOM 4348 OG1 THR A1161 -25.865 12.856 -14.057 1.00 34.53 O +ATOM 4349 CG2 THR A1161 -24.617 14.763 -13.229 1.00 35.90 C +ATOM 4350 H THR A1161 -24.607 14.901 -15.863 1.00 29.10 H +ATOM 4351 HA THR A1161 -22.573 13.254 -14.697 1.00 28.91 H +ATOM 4352 HB THR A1161 -24.153 12.711 -13.047 1.00 34.86 H +ATOM 4353 HG1 THR A1161 -26.454 13.221 -13.388 1.00 34.53 H +ATOM 4354 HG21 THR A1161 -25.175 14.766 -12.292 1.00 35.90 H +ATOM 4355 HG22 THR A1161 -23.616 15.139 -13.017 1.00 35.90 H +ATOM 4356 HG23 THR A1161 -25.103 15.469 -13.903 1.00 35.90 H +ATOM 4357 N PHE A1162 -23.334 10.762 -15.088 1.00 26.26 N +ATOM 4358 CA PHE A1162 -23.561 9.392 -15.560 1.00 25.89 C +ATOM 4359 C PHE A1162 -25.040 8.966 -15.610 1.00 30.07 C +ATOM 4360 O PHE A1162 -25.403 8.218 -16.515 1.00 29.53 O +ATOM 4361 CB PHE A1162 -22.699 8.388 -14.777 1.00 27.11 C +ATOM 4362 CG PHE A1162 -21.246 8.362 -15.201 1.00 25.98 C +ATOM 4363 CD1 PHE A1162 -20.898 7.838 -16.459 1.00 26.41 C +ATOM 4364 CD2 PHE A1162 -20.245 8.943 -14.402 1.00 27.86 C +ATOM 4365 CE1 PHE A1162 -19.573 7.805 -16.862 1.00 26.21 C +ATOM 4366 CE2 PHE A1162 -18.922 8.912 -14.824 1.00 29.34 C +ATOM 4367 CZ PHE A1162 -18.586 8.329 -16.039 1.00 25.75 C +ATOM 4368 H PHE A1162 -22.822 10.869 -14.222 1.00 26.26 H +ATOM 4369 HA PHE A1162 -23.226 9.366 -16.598 1.00 25.89 H +ATOM 4370 HB3 PHE A1162 -23.079 7.379 -14.930 1.00 27.11 H +ATOM 4371 HB2 PHE A1162 -22.764 8.571 -13.705 1.00 27.11 H +ATOM 4372 HD1 PHE A1162 -21.672 7.455 -17.102 1.00 26.41 H +ATOM 4373 HD2 PHE A1162 -20.507 9.395 -13.461 1.00 27.86 H +ATOM 4374 HE1 PHE A1162 -19.316 7.369 -17.815 1.00 26.21 H +ATOM 4375 HE2 PHE A1162 -18.153 9.342 -14.206 1.00 29.34 H +ATOM 4376 HZ PHE A1162 -17.554 8.293 -16.350 1.00 25.75 H +ATOM 4377 N GLU A1163 -25.873 9.500 -14.699 1.00 27.87 N +ATOM 4378 CA GLU A1163 -27.330 9.355 -14.724 1.00 28.69 C +ATOM 4379 C GLU A1163 -28.021 10.100 -15.882 1.00 33.26 C +ATOM 4380 O GLU A1163 -29.087 9.652 -16.303 1.00 32.51 O +ATOM 4381 CB GLU A1163 -27.927 9.769 -13.366 1.00 31.37 C +ATOM 4382 CG GLU A1163 -27.608 8.760 -12.239 1.00 44.54 C +ATOM 4383 CD GLU A1163 -28.145 9.129 -10.846 1.00 68.84 C +ATOM 4384 OE1 GLU A1163 -28.711 10.233 -10.679 1.00 67.02 O +ATOM 4385 OE2 GLU A1163 -27.958 8.284 -9.944 1.00 62.94 O1- +ATOM 4386 H GLU A1163 -25.498 10.099 -13.976 1.00 27.87 H +ATOM 4387 HA GLU A1163 -27.551 8.297 -14.871 1.00 28.69 H +ATOM 4388 HB3 GLU A1163 -29.009 9.882 -13.452 1.00 31.37 H +ATOM 4389 HB2 GLU A1163 -27.540 10.753 -13.095 1.00 31.37 H +ATOM 4390 HG3 GLU A1163 -26.530 8.625 -12.158 1.00 44.54 H +ATOM 4391 HG2 GLU A1163 -28.013 7.785 -12.512 1.00 44.54 H +ATOM 4392 N ASN A1164 -27.417 11.190 -16.392 1.00 30.86 N +ATOM 4393 CA ASN A1164 -27.882 11.893 -17.596 1.00 30.74 C +ATOM 4394 C ASN A1164 -27.503 11.131 -18.879 1.00 32.00 C +ATOM 4395 O ASN A1164 -28.280 11.151 -19.832 1.00 31.36 O +ATOM 4396 CB ASN A1164 -27.317 13.336 -17.689 1.00 30.05 C +ATOM 4397 CG ASN A1164 -27.571 14.258 -16.490 1.00 41.44 C +ATOM 4398 OD1 ASN A1164 -26.746 15.121 -16.200 1.00 30.45 O +ATOM 4399 ND2 ASN A1164 -28.701 14.110 -15.795 1.00 30.02 N +ATOM 4400 H ASN A1164 -26.552 11.521 -15.984 1.00 30.86 H +ATOM 4401 HA ASN A1164 -28.972 11.954 -17.582 1.00 30.74 H +ATOM 4402 HB3 ASN A1164 -27.734 13.831 -18.567 1.00 30.05 H +ATOM 4403 HB2 ASN A1164 -26.240 13.302 -17.853 1.00 30.05 H +ATOM 4404 HD22 ASN A1164 -28.879 14.703 -14.997 1.00 30.02 H +ATOM 4405 HD21 ASN A1164 -29.374 13.396 -16.037 1.00 30.02 H +ATOM 4406 N LEU A1165 -26.326 10.480 -18.882 1.00 27.37 N +ATOM 4407 CA LEU A1165 -25.766 9.760 -20.028 1.00 26.17 C +ATOM 4408 C LEU A1165 -26.478 8.435 -20.352 1.00 30.32 C +ATOM 4409 O LEU A1165 -26.504 8.068 -21.525 1.00 29.57 O +ATOM 4410 CB LEU A1165 -24.259 9.516 -19.791 1.00 24.98 C +ATOM 4411 CG LEU A1165 -23.381 10.779 -19.932 1.00 27.47 C +ATOM 4412 CD1 LEU A1165 -21.985 10.567 -19.304 1.00 26.17 C +ATOM 4413 CD2 LEU A1165 -23.312 11.261 -21.400 1.00 28.90 C +ATOM 4414 H LEU A1165 -25.739 10.526 -18.060 1.00 27.37 H +ATOM 4415 HA LEU A1165 -25.886 10.396 -20.907 1.00 26.17 H +ATOM 4416 HB3 LEU A1165 -23.883 8.764 -20.486 1.00 24.98 H +ATOM 4417 HB2 LEU A1165 -24.131 9.083 -18.798 1.00 24.98 H +ATOM 4418 HG LEU A1165 -23.853 11.578 -19.359 1.00 27.47 H +ATOM 4419 HD11 LEU A1165 -21.169 10.782 -19.992 1.00 26.17 H +ATOM 4420 HD12 LEU A1165 -21.850 11.218 -18.439 1.00 26.17 H +ATOM 4421 HD13 LEU A1165 -21.842 9.544 -18.956 1.00 26.17 H +ATOM 4422 HD21 LEU A1165 -22.294 11.315 -21.782 1.00 28.90 H +ATOM 4423 HD22 LEU A1165 -23.857 10.602 -22.076 1.00 28.90 H +ATOM 4424 HD23 LEU A1165 -23.747 12.255 -21.501 1.00 28.90 H +ATOM 4425 N ILE A1166 -27.040 7.749 -19.341 1.00 27.97 N +ATOM 4426 CA ILE A1166 -27.745 6.467 -19.487 1.00 28.85 C +ATOM 4427 C ILE A1166 -28.953 6.492 -20.460 1.00 33.75 C +ATOM 4428 O ILE A1166 -28.925 5.705 -21.406 1.00 32.47 O +ATOM 4429 CB ILE A1166 -28.146 5.868 -18.102 1.00 32.86 C +ATOM 4430 CG1 ILE A1166 -26.891 5.392 -17.344 1.00 32.40 C +ATOM 4431 CG2 ILE A1166 -29.182 4.719 -18.139 1.00 34.79 C +ATOM 4432 CD1 ILE A1166 -27.093 5.273 -15.829 1.00 41.27 C +ATOM 4433 H ILE A1166 -26.962 8.109 -18.400 1.00 27.97 H +ATOM 4434 HA ILE A1166 -27.016 5.782 -19.927 1.00 28.85 H +ATOM 4435 HB ILE A1166 -28.578 6.676 -17.513 1.00 32.86 H +ATOM 4436 HG13 ILE A1166 -26.060 6.066 -17.526 1.00 32.40 H +ATOM 4437 HG12 ILE A1166 -26.559 4.439 -17.750 1.00 32.40 H +ATOM 4438 HG21 ILE A1166 -29.368 4.322 -17.141 1.00 34.79 H +ATOM 4439 HG22 ILE A1166 -30.151 5.039 -18.522 1.00 34.79 H +ATOM 4440 HG23 ILE A1166 -28.826 3.895 -18.757 1.00 34.79 H +ATOM 4441 HD11 ILE A1166 -26.139 5.370 -15.317 1.00 41.27 H +ATOM 4442 HD12 ILE A1166 -27.751 6.049 -15.441 1.00 41.27 H +ATOM 4443 HD13 ILE A1166 -27.519 4.310 -15.552 1.00 41.27 H +ATOM 4444 N PRO A1167 -29.961 7.381 -20.270 1.00 32.13 N +ATOM 4445 CA PRO A1167 -31.104 7.471 -21.200 1.00 32.58 C +ATOM 4446 C PRO A1167 -30.756 7.999 -22.606 1.00 34.66 C +ATOM 4447 O PRO A1167 -31.441 7.626 -23.559 1.00 34.80 O +ATOM 4448 CB PRO A1167 -32.110 8.379 -20.476 1.00 35.43 C +ATOM 4449 CG PRO A1167 -31.254 9.243 -19.567 1.00 39.58 C +ATOM 4450 CD PRO A1167 -30.159 8.280 -19.129 1.00 34.49 C +ATOM 4451 HA PRO A1167 -31.550 6.482 -21.322 1.00 32.58 H +ATOM 4452 HB3 PRO A1167 -32.779 7.765 -19.871 1.00 35.43 H +ATOM 4453 HB2 PRO A1167 -32.734 8.973 -21.146 1.00 35.43 H +ATOM 4454 HG3 PRO A1167 -31.803 9.681 -18.734 1.00 39.58 H +ATOM 4455 HG2 PRO A1167 -30.817 10.057 -20.147 1.00 39.58 H +ATOM 4456 HD2 PRO A1167 -29.269 8.825 -18.831 1.00 34.49 H +ATOM 4457 HD3 PRO A1167 -30.503 7.693 -18.277 1.00 34.49 H +ATOM 4458 N ILE A1168 -29.692 8.816 -22.719 1.00 31.51 N +ATOM 4459 CA ILE A1168 -29.174 9.311 -23.996 1.00 32.13 C +ATOM 4460 C ILE A1168 -28.515 8.176 -24.809 1.00 34.20 C +ATOM 4461 O ILE A1168 -28.819 8.042 -25.992 1.00 33.26 O +ATOM 4462 CB ILE A1168 -28.157 10.480 -23.813 1.00 35.61 C +ATOM 4463 CG1 ILE A1168 -28.818 11.695 -23.122 1.00 36.57 C +ATOM 4464 CG2 ILE A1168 -27.491 10.936 -25.133 1.00 37.22 C +ATOM 4465 CD1 ILE A1168 -27.816 12.756 -22.635 1.00 41.21 C +ATOM 4466 H ILE A1168 -29.178 9.087 -21.893 1.00 31.51 H +ATOM 4467 HA ILE A1168 -30.019 9.689 -24.577 1.00 32.13 H +ATOM 4468 HB ILE A1168 -27.363 10.125 -23.154 1.00 35.61 H +ATOM 4469 HG13 ILE A1168 -29.409 11.372 -22.266 1.00 36.57 H +ATOM 4470 HG12 ILE A1168 -29.529 12.160 -23.806 1.00 36.57 H +ATOM 4471 HG21 ILE A1168 -26.825 11.783 -24.973 1.00 37.22 H +ATOM 4472 HG22 ILE A1168 -26.886 10.153 -25.588 1.00 37.22 H +ATOM 4473 HG23 ILE A1168 -28.240 11.243 -25.864 1.00 37.22 H +ATOM 4474 HD11 ILE A1168 -28.223 13.321 -21.796 1.00 41.21 H +ATOM 4475 HD12 ILE A1168 -26.881 12.305 -22.300 1.00 41.21 H +ATOM 4476 HD13 ILE A1168 -27.581 13.469 -23.424 1.00 41.21 H +ATOM 4477 N LEU A1169 -27.664 7.367 -24.155 1.00 29.74 N +ATOM 4478 CA LEU A1169 -26.967 6.225 -24.756 1.00 29.80 C +ATOM 4479 C LEU A1169 -27.885 5.031 -25.075 1.00 35.11 C +ATOM 4480 O LEU A1169 -27.557 4.280 -25.991 1.00 36.14 O +ATOM 4481 CB LEU A1169 -25.777 5.814 -23.865 1.00 29.09 C +ATOM 4482 CG LEU A1169 -24.581 6.789 -23.960 1.00 32.75 C +ATOM 4483 CD1 LEU A1169 -23.587 6.570 -22.808 1.00 32.66 C +ATOM 4484 CD2 LEU A1169 -23.883 6.727 -25.337 1.00 36.03 C +ATOM 4485 H LEU A1169 -27.456 7.545 -23.180 1.00 29.74 H +ATOM 4486 HA LEU A1169 -26.565 6.559 -25.711 1.00 29.80 H +ATOM 4487 HB3 LEU A1169 -25.421 4.823 -24.144 1.00 29.09 H +ATOM 4488 HB2 LEU A1169 -26.125 5.721 -22.835 1.00 29.09 H +ATOM 4489 HG LEU A1169 -24.969 7.801 -23.834 1.00 32.75 H +ATOM 4490 HD11 LEU A1169 -23.208 7.523 -22.440 1.00 32.66 H +ATOM 4491 HD12 LEU A1169 -24.047 6.060 -21.962 1.00 32.66 H +ATOM 4492 HD13 LEU A1169 -22.731 5.971 -23.114 1.00 32.66 H +ATOM 4493 HD21 LEU A1169 -22.797 6.684 -25.255 1.00 36.03 H +ATOM 4494 HD22 LEU A1169 -24.195 5.856 -25.915 1.00 36.03 H +ATOM 4495 HD23 LEU A1169 -24.124 7.609 -25.930 1.00 36.03 H +ATOM 4496 N LYS A1170 -29.028 4.905 -24.376 1.00 32.29 N +ATOM 4497 CA LYS A1170 -30.116 3.981 -24.717 1.00 33.11 C +ATOM 4498 C LYS A1170 -30.825 4.360 -26.028 1.00 37.39 C +ATOM 4499 O LYS A1170 -31.078 3.477 -26.846 1.00 37.67 O +ATOM 4500 CB LYS A1170 -31.124 3.899 -23.551 1.00 37.22 C +ATOM 4501 CG LYS A1170 -30.641 3.002 -22.404 1.00 43.25 C +ATOM 4502 CD LYS A1170 -31.551 3.030 -21.170 1.00 49.41 C +ATOM 4503 CE LYS A1170 -31.093 2.016 -20.108 1.00 57.38 C +ATOM 4504 NZ LYS A1170 -31.915 2.081 -18.888 1.00 64.71 N1+ +ATOM 4505 H LYS A1170 -29.207 5.536 -23.606 1.00 32.29 H +ATOM 4506 HA LYS A1170 -29.678 2.992 -24.863 1.00 33.11 H +ATOM 4507 HB3 LYS A1170 -32.069 3.483 -23.907 1.00 37.22 H +ATOM 4508 HB2 LYS A1170 -31.357 4.899 -23.187 1.00 37.22 H +ATOM 4509 HG3 LYS A1170 -29.633 3.290 -22.111 1.00 43.25 H +ATOM 4510 HG2 LYS A1170 -30.573 1.978 -22.773 1.00 43.25 H +ATOM 4511 HD3 LYS A1170 -32.578 2.820 -21.472 1.00 49.41 H +ATOM 4512 HD2 LYS A1170 -31.550 4.038 -20.751 1.00 49.41 H +ATOM 4513 HE3 LYS A1170 -30.052 2.195 -19.835 1.00 57.38 H +ATOM 4514 HE2 LYS A1170 -31.143 1.003 -20.508 1.00 57.38 H +ATOM 4515 HZ1 LYS A1170 -32.877 1.875 -19.115 1.00 64.71 H +ATOM 4516 HZ2 LYS A1170 -31.574 1.402 -18.221 1.00 64.71 H +ATOM 4517 HZ3 LYS A1170 -31.852 3.005 -18.484 1.00 64.71 H +ATOM 4518 N THR A1171 -31.102 5.663 -26.212 1.00 34.80 N +ATOM 4519 CA THR A1171 -31.738 6.219 -27.411 1.00 35.33 C +ATOM 4520 C THR A1171 -30.800 6.208 -28.638 1.00 39.05 C +ATOM 4521 O THR A1171 -31.260 5.941 -29.748 1.00 39.67 O +ATOM 4522 CB THR A1171 -32.220 7.675 -27.167 1.00 44.81 C +ATOM 4523 OG1 THR A1171 -33.137 7.683 -26.089 1.00 44.59 O +ATOM 4524 CG2 THR A1171 -32.908 8.359 -28.363 1.00 42.98 C +ATOM 4525 H THR A1171 -30.845 6.329 -25.497 1.00 34.80 H +ATOM 4526 HA THR A1171 -32.610 5.604 -27.647 1.00 35.33 H +ATOM 4527 HB THR A1171 -31.373 8.291 -26.863 1.00 44.81 H +ATOM 4528 HG1 THR A1171 -32.663 7.467 -25.282 1.00 44.59 H +ATOM 4529 HG21 THR A1171 -33.310 9.332 -28.077 1.00 42.98 H +ATOM 4530 HG22 THR A1171 -32.218 8.533 -29.189 1.00 42.98 H +ATOM 4531 HG23 THR A1171 -33.736 7.757 -28.739 1.00 42.98 H +ATOM 4532 N VAL A1172 -29.501 6.461 -28.407 1.00 34.64 N +ATOM 4533 CA VAL A1172 -28.437 6.393 -29.409 1.00 35.04 C +ATOM 4534 C VAL A1172 -28.142 4.943 -29.854 1.00 37.21 C +ATOM 4535 O VAL A1172 -27.962 4.722 -31.050 1.00 35.63 O +ATOM 4536 CB VAL A1172 -27.153 7.107 -28.887 1.00 39.11 C +ATOM 4537 CG1 VAL A1172 -25.823 6.718 -29.557 1.00 39.01 C +ATOM 4538 CG2 VAL A1172 -27.323 8.636 -28.939 1.00 39.06 C +ATOM 4539 H VAL A1172 -29.207 6.702 -27.470 1.00 34.64 H +ATOM 4540 HA VAL A1172 -28.785 6.931 -30.293 1.00 35.04 H +ATOM 4541 HB VAL A1172 -27.044 6.843 -27.837 1.00 39.11 H +ATOM 4542 HG11 VAL A1172 -25.005 7.334 -29.184 1.00 39.01 H +ATOM 4543 HG12 VAL A1172 -25.555 5.686 -29.335 1.00 39.01 H +ATOM 4544 HG13 VAL A1172 -25.867 6.841 -30.639 1.00 39.01 H +ATOM 4545 HG21 VAL A1172 -26.478 9.144 -28.472 1.00 39.06 H +ATOM 4546 HG22 VAL A1172 -27.395 8.990 -29.967 1.00 39.06 H +ATOM 4547 HG23 VAL A1172 -28.223 8.960 -28.417 1.00 39.06 H +ATOM 4548 N HIS A1173 -28.170 3.976 -28.917 1.00 33.86 N +ATOM 4549 CA HIS A1173 -28.096 2.540 -29.214 1.00 34.98 C +ATOM 4550 C HIS A1173 -29.277 2.060 -30.084 1.00 39.49 C +ATOM 4551 O HIS A1173 -29.043 1.349 -31.059 1.00 38.50 O +ATOM 4552 CB HIS A1173 -27.984 1.732 -27.901 1.00 35.81 C +ATOM 4553 CG HIS A1173 -28.090 0.234 -28.062 1.00 39.76 C +ATOM 4554 ND1 HIS A1173 -27.102 -0.535 -28.649 1.00 41.19 N +ATOM 4555 CD2 HIS A1173 -29.100 -0.647 -27.743 1.00 42.70 C +ATOM 4556 CE1 HIS A1173 -27.538 -1.797 -28.663 1.00 41.61 C +ATOM 4557 NE2 HIS A1173 -28.744 -1.941 -28.129 1.00 43.01 N +ATOM 4558 H HIS A1173 -28.305 4.222 -27.946 1.00 33.86 H +ATOM 4559 HA HIS A1173 -27.183 2.367 -29.788 1.00 34.98 H +ATOM 4560 HB3 HIS A1173 -28.760 2.045 -27.201 1.00 35.81 H +ATOM 4561 HB2 HIS A1173 -27.032 1.952 -27.414 1.00 35.81 H +ATOM 4562 HD1 HIS A1173 -26.205 -0.215 -28.995 1.00 41.19 H +ATOM 4563 HD2 HIS A1173 -30.059 -0.445 -27.288 1.00 42.70 H +ATOM 4564 HE1 HIS A1173 -26.961 -2.619 -29.062 1.00 41.61 H +ATOM 4565 N GLU A1174 -30.502 2.495 -29.734 1.00 37.68 N +ATOM 4566 CA GLU A1174 -31.744 2.256 -30.476 1.00 39.70 C +ATOM 4567 C GLU A1174 -31.727 2.760 -31.930 1.00 42.94 C +ATOM 4568 O GLU A1174 -32.312 2.102 -32.790 1.00 44.72 O +ATOM 4569 CB GLU A1174 -32.935 2.873 -29.702 1.00 42.32 C +ATOM 4570 CG GLU A1174 -33.555 1.928 -28.651 1.00 60.01 C +ATOM 4571 CD GLU A1174 -34.443 0.805 -29.219 1.00 92.87 C +ATOM 4572 OE1 GLU A1174 -34.832 0.871 -30.407 1.00 94.43 O +ATOM 4573 OE2 GLU A1174 -34.715 -0.138 -28.446 1.00 90.73 O1- +ATOM 4574 H GLU A1174 -30.599 3.061 -28.901 1.00 37.68 H +ATOM 4575 HA GLU A1174 -31.882 1.176 -30.525 1.00 39.70 H +ATOM 4576 HB3 GLU A1174 -33.706 3.247 -30.379 1.00 42.32 H +ATOM 4577 HB2 GLU A1174 -32.594 3.762 -29.175 1.00 42.32 H +ATOM 4578 HG3 GLU A1174 -34.171 2.518 -27.971 1.00 60.01 H +ATOM 4579 HG2 GLU A1174 -32.763 1.493 -28.038 1.00 60.01 H +ATOM 4580 N LYS A1175 -31.050 3.893 -32.178 1.00 37.93 N +ATOM 4581 CA LYS A1175 -30.917 4.504 -33.500 1.00 37.53 C +ATOM 4582 C LYS A1175 -30.053 3.674 -34.468 1.00 41.18 C +ATOM 4583 O LYS A1175 -30.453 3.507 -35.620 1.00 39.68 O +ATOM 4584 CB LYS A1175 -30.402 5.952 -33.337 1.00 38.66 C +ATOM 4585 CG LYS A1175 -30.187 6.714 -34.659 1.00 48.52 C +ATOM 4586 CD LYS A1175 -29.780 8.180 -34.438 1.00 57.93 C +ATOM 4587 CE LYS A1175 -29.465 8.944 -35.737 1.00 71.38 C +ATOM 4588 NZ LYS A1175 -30.655 9.138 -36.585 1.00 86.87 N1+ +ATOM 4589 H LYS A1175 -30.605 4.381 -31.413 1.00 37.93 H +ATOM 4590 HA LYS A1175 -31.920 4.562 -33.929 1.00 37.53 H +ATOM 4591 HB3 LYS A1175 -29.462 5.948 -32.786 1.00 38.66 H +ATOM 4592 HB2 LYS A1175 -31.109 6.507 -32.720 1.00 38.66 H +ATOM 4593 HG3 LYS A1175 -31.100 6.660 -35.253 1.00 48.52 H +ATOM 4594 HG2 LYS A1175 -29.406 6.228 -35.246 1.00 48.52 H +ATOM 4595 HD3 LYS A1175 -28.898 8.205 -33.797 1.00 57.93 H +ATOM 4596 HD2 LYS A1175 -30.561 8.700 -33.881 1.00 57.93 H +ATOM 4597 HE3 LYS A1175 -28.705 8.416 -36.313 1.00 71.38 H +ATOM 4598 HE2 LYS A1175 -29.056 9.926 -35.497 1.00 71.38 H +ATOM 4599 HZ1 LYS A1175 -31.353 9.660 -36.073 1.00 86.87 H +ATOM 4600 HZ2 LYS A1175 -30.398 9.649 -37.418 1.00 86.87 H +ATOM 4601 HZ3 LYS A1175 -31.032 8.238 -36.845 1.00 86.87 H +ATOM 4602 N TYR A1176 -28.889 3.197 -33.995 1.00 37.88 N +ATOM 4603 CA TYR A1176 -27.868 2.567 -34.838 1.00 38.84 C +ATOM 4604 C TYR A1176 -27.921 1.028 -34.865 1.00 43.27 C +ATOM 4605 O TYR A1176 -27.210 0.447 -35.688 1.00 45.60 O +ATOM 4606 CB TYR A1176 -26.473 3.100 -34.436 1.00 39.66 C +ATOM 4607 CG TYR A1176 -26.302 4.594 -34.682 1.00 42.14 C +ATOM 4608 CD1 TYR A1176 -26.315 5.101 -35.999 1.00 44.87 C +ATOM 4609 CD2 TYR A1176 -26.162 5.487 -33.601 1.00 42.46 C +ATOM 4610 CE1 TYR A1176 -26.229 6.489 -36.227 1.00 44.19 C +ATOM 4611 CE2 TYR A1176 -26.089 6.875 -33.825 1.00 43.50 C +ATOM 4612 CZ TYR A1176 -26.135 7.378 -35.138 1.00 49.64 C +ATOM 4613 OH TYR A1176 -26.106 8.725 -35.354 1.00 54.89 O +ATOM 4614 H TYR A1176 -28.635 3.369 -33.031 1.00 37.88 H +ATOM 4615 HA TYR A1176 -28.033 2.870 -35.874 1.00 38.84 H +ATOM 4616 HB3 TYR A1176 -25.694 2.591 -35.006 1.00 39.66 H +ATOM 4617 HB2 TYR A1176 -26.271 2.873 -33.387 1.00 39.66 H +ATOM 4618 HD1 TYR A1176 -26.412 4.428 -36.839 1.00 44.87 H +ATOM 4619 HD2 TYR A1176 -26.126 5.113 -32.593 1.00 42.46 H +ATOM 4620 HE1 TYR A1176 -26.257 6.870 -37.237 1.00 44.19 H +ATOM 4621 HE2 TYR A1176 -26.007 7.551 -32.986 1.00 43.50 H +ATOM 4622 HH TYR A1176 -26.186 9.238 -34.543 1.00 54.89 H +ATOM 4623 N ARG A1177 -28.744 0.383 -34.014 1.00 37.76 N +ATOM 4624 CA ARG A1177 -28.935 -1.075 -34.023 1.00 53.07 C +ATOM 4625 C ARG A1177 -29.798 -1.553 -35.209 1.00 74.57 C +ATOM 4626 O ARG A1177 -30.502 -0.752 -35.827 1.00 46.90 O +ATOM 4627 CB ARG A1177 -29.496 -1.560 -32.664 1.00 52.87 C +ATOM 4628 CG ARG A1177 -30.982 -1.254 -32.399 1.00 64.39 C +ATOM 4629 CD ARG A1177 -31.514 -1.954 -31.138 1.00 74.69 C +ATOM 4630 NE ARG A1177 -32.978 -1.851 -31.034 1.00 82.78 N +ATOM 4631 CZ ARG A1177 -33.907 -2.569 -31.694 1.00 98.29 C +ATOM 4632 NH1 ARG A1177 -33.589 -3.553 -32.550 1.00 84.15 N +ATOM 4633 NH2 ARG A1177 -35.199 -2.283 -31.493 1.00 87.75 N1+ +ATOM 4634 H ARG A1177 -29.299 0.909 -33.353 1.00 37.76 H +ATOM 4635 HA ARG A1177 -27.950 -1.532 -34.140 1.00 53.07 H +ATOM 4636 HB3 ARG A1177 -28.888 -1.173 -31.846 1.00 52.87 H +ATOM 4637 HB2 ARG A1177 -29.369 -2.643 -32.620 1.00 52.87 H +ATOM 4638 HG3 ARG A1177 -31.630 -1.450 -33.253 1.00 64.39 H +ATOM 4639 HG2 ARG A1177 -31.028 -0.179 -32.238 1.00 64.39 H +ATOM 4640 HD3 ARG A1177 -31.155 -1.396 -30.273 1.00 74.69 H +ATOM 4641 HD2 ARG A1177 -31.139 -2.971 -31.017 1.00 74.69 H +ATOM 4642 HE ARG A1177 -33.319 -1.100 -30.445 1.00 82.78 H +ATOM 4643 HH12 ARG A1177 -34.318 -4.055 -33.040 1.00 84.15 H +ATOM 4644 HH11 ARG A1177 -32.621 -3.779 -32.721 1.00 84.15 H +ATOM 4645 HH22 ARG A1177 -35.921 -2.787 -31.991 1.00 87.75 H +ATOM 4646 HH21 ARG A1177 -35.454 -1.517 -30.880 1.00 87.75 H +HETATM 4647 N NME A1178 -29.749 -2.869 -35.465 1.00 0.00 N +HETATM 4648 C NME A1178 -30.535 -3.522 -36.502 1.00 0.00 C +HETATM 4649 H NME A1178 -29.154 -3.459 -34.899 1.00 0.00 H +HETATM 4650 H1 NME A1178 -30.743 -2.862 -37.345 1.00 0.00 H +HETATM 4651 H2 NME A1178 -29.994 -4.388 -36.884 1.00 0.00 H +HETATM 4652 H3 NME A1178 -31.485 -3.868 -36.092 1.00 0.00 H +TER 4653 NME A1178 +HETATM 4654 O HOH A1301 -7.805 13.717 -21.733 1.00 23.87 O +HETATM 4655 H1 HOH A1301 -7.442 12.805 -21.938 1.00 23.87 H +HETATM 4656 H2 HOH A1301 -7.037 14.314 -21.478 1.00 23.87 H +HETATM 4657 O HOH A1302 -7.300 4.134 -29.382 1.00 26.50 O +HETATM 4658 H1 HOH A1302 -6.564 3.946 -30.038 1.00 26.50 H +HETATM 4659 H2 HOH A1302 -8.155 4.275 -29.890 1.00 26.50 H +HETATM 4660 O HOH A1303 -21.765 11.544 -12.438 1.00 28.48 O +HETATM 4661 H1 HOH A1303 -21.483 12.499 -12.298 1.00 28.48 H +HETATM 4662 H2 HOH A1303 -21.181 10.951 -11.877 1.00 28.48 H +HETATM 4663 O HOH A1304 -9.035 2.704 -10.281 1.00 29.39 O +HETATM 4664 H1 HOH A1304 -9.409 1.932 -10.803 1.00 29.39 H +HETATM 4665 H2 HOH A1304 -9.652 3.492 -10.355 1.00 29.39 H +HETATM 4666 O HOH A1305 -10.327 13.333 -14.896 1.00 24.85 O +HETATM 4667 H1 HOH A1305 -11.176 12.866 -15.157 1.00 24.85 H +HETATM 4668 H2 HOH A1305 -10.176 13.221 -13.913 1.00 24.85 H +HETATM 4669 O HOH A1306 -11.177 8.182 -14.397 1.00 26.19 O +HETATM 4670 H1 HOH A1306 -11.137 8.958 -15.033 1.00 26.19 H +HETATM 4671 H2 HOH A1306 -11.960 8.307 -13.778 1.00 26.19 H +HETATM 4672 O HOH A1307 -5.575 15.209 -20.665 1.00 23.28 O +HETATM 4673 H1 HOH A1307 -6.230 15.538 -19.979 1.00 23.28 H +HETATM 4674 H2 HOH A1307 -4.863 14.683 -20.193 1.00 23.28 H +HETATM 4675 O HOH A1310 -7.035 2.198 -22.168 1.00 28.39 O +HETATM 4676 H1 HOH A1310 -7.249 2.734 -22.991 1.00 28.39 H +HETATM 4677 H2 HOH A1310 -6.202 2.562 -21.741 1.00 28.39 H +HETATM 4678 O HOH A1319 -24.975 8.619 -9.410 1.00 28.29 O +HETATM 4679 H1 HOH A1319 -25.977 8.575 -9.470 1.00 28.29 H +HETATM 4680 H2 HOH A1319 -24.615 7.682 -9.428 1.00 28.29 H +HETATM 4681 O HOH A1322 9.260 15.797 -22.620 1.00 33.09 O +HETATM 4682 H1 HOH A1322 9.238 15.995 -21.638 1.00 33.09 H +HETATM 4683 H2 HOH A1322 9.718 14.919 -22.770 1.00 33.09 H +HETATM 4684 O HOH A1323 -15.175 20.060 -25.940 1.00 37.91 O +HETATM 4685 H1 HOH A1323 -15.823 19.549 -25.369 1.00 37.91 H +HETATM 4686 H2 HOH A1323 -15.622 20.901 -26.256 1.00 37.91 H +HETATM 4687 O HOH A1325 -7.181 -8.809 -21.143 1.00 38.47 O +HETATM 4688 H1 HOH A1325 -6.991 -9.743 -20.831 1.00 38.47 H +HETATM 4689 H2 HOH A1325 -6.455 -8.515 -21.774 1.00 38.47 H +HETATM 4690 O HOH A1326 7.389 15.381 -18.526 1.00 32.26 O +HETATM 4691 H1 HOH A1326 8.315 15.733 -18.681 1.00 32.26 H +HETATM 4692 H2 HOH A1326 6.915 15.335 -19.410 1.00 32.26 H +HETATM 4693 O HOH A1329 -19.714 -6.468 -9.012 1.00 36.73 O +HETATM 4694 H1 HOH A1329 -19.884 -6.507 -10.000 1.00 36.73 H +HETATM 4695 H2 HOH A1329 -18.743 -6.288 -8.854 1.00 36.73 H +HETATM 4696 O HOH A1330 4.141 19.654 -16.124 1.00 36.06 O +HETATM 4697 H1 HOH A1330 5.109 19.392 -16.168 1.00 36.06 H +HETATM 4698 H2 HOH A1330 3.830 19.606 -15.174 1.00 36.06 H +HETATM 4699 O HOH A1333 4.982 16.327 -16.962 1.00 30.05 O +HETATM 4700 H1 HOH A1333 5.483 17.156 -16.704 1.00 30.05 H +HETATM 4701 H2 HOH A1333 5.635 15.674 -17.353 1.00 30.05 H +HETATM 4702 O HOH A1339 -8.401 9.401 -34.311 1.00 35.17 O +HETATM 4703 H1 HOH A1339 -8.558 8.457 -34.614 1.00 35.17 H +HETATM 4704 H2 HOH A1339 -8.352 9.426 -33.310 1.00 35.17 H +HETATM 4705 O HOH A1344 -1.246 -9.880 -2.385 1.00 46.63 O +HETATM 4706 H1 HOH A1344 -2.115 -9.784 -1.894 1.00 46.63 H +HETATM 4707 H2 HOH A1344 -0.512 -10.016 -1.717 1.00 46.63 H +HETATM 4708 O HOH A1346 -2.546 14.870 -33.057 1.00 40.94 O +HETATM 4709 H1 HOH A1346 -1.902 14.222 -33.475 1.00 40.94 H +HETATM 4710 H2 HOH A1346 -2.400 14.877 -32.065 1.00 40.94 H +HETATM 4711 O HOH A1349 -15.113 -20.319 -14.132 1.00 44.85 O +HETATM 4712 H1 HOH A1349 -15.777 -20.591 -13.428 1.00 44.85 H +HETATM 4713 H2 HOH A1349 -15.496 -19.565 -14.665 1.00 44.85 H +HETATM 4714 O HOH A1350 -21.241 18.275 -13.756 1.00 31.90 O +HETATM 4715 H1 HOH A1350 -21.949 18.493 -14.431 1.00 31.90 H +HETATM 4716 H2 HOH A1350 -20.384 18.717 -14.034 1.00 31.90 H +HETATM 4717 O HOH A1352 -12.770 -28.593 -8.238 1.00 61.97 O +HETATM 4718 H1 HOH A1352 -11.940 -28.665 -8.798 1.00 61.97 H +HETATM 4719 H2 HOH A1352 -13.089 -29.522 -8.039 1.00 61.97 H +HETATM 4720 O HOH A1353 0.753 -1.961 -23.720 1.00 67.38 O +HETATM 4721 H1 HOH A1353 1.280 -1.741 -22.898 1.00 67.38 H +HETATM 4722 H2 HOH A1353 1.234 -2.673 -24.233 1.00 67.38 H +HETATM 4723 O HOH A1356 -12.183 -25.973 -15.343 1.00 59.40 O +HETATM 4724 H1 HOH A1356 -12.353 -25.498 -14.476 1.00 59.40 H +HETATM 4725 H2 HOH A1356 -11.675 -26.817 -15.157 1.00 59.40 H +HETATM 4726 O HOH A1360 0.186 23.081 -25.812 1.00 35.26 O +HETATM 4727 H1 HOH A1360 0.760 23.841 -25.494 1.00 35.26 H +HETATM 4728 H2 HOH A1360 -0.066 22.506 -25.030 1.00 35.26 H +HETATM 4729 O HOH A1361 6.492 16.072 -23.950 1.00 37.72 O +HETATM 4730 H1 HOH A1361 7.475 15.916 -23.823 1.00 37.72 H +HETATM 4731 H2 HOH A1361 6.255 15.954 -24.918 1.00 37.72 H +HETATM 4732 O HOH A1362 -12.299 4.648 -36.322 1.00 42.24 O +HETATM 4733 H1 HOH A1362 -13.007 4.928 -36.975 1.00 42.24 H +HETATM 4734 H2 HOH A1362 -12.726 4.127 -35.581 1.00 42.24 H +HETATM 4735 O HOH A1364 -16.446 24.494 -21.075 1.00 34.81 O +HETATM 4736 H1 HOH A1364 -17.058 23.972 -21.679 1.00 34.81 H +HETATM 4737 H2 HOH A1364 -16.735 25.452 -21.068 1.00 34.81 H +HETATM 4738 O HOH A1366 -15.941 9.353 -41.405 1.00 52.63 O +HETATM 4739 H1 HOH A1366 -15.091 8.827 -41.524 1.00 52.63 H +HETATM 4740 H2 HOH A1366 -16.453 9.327 -42.264 1.00 52.63 H +HETATM 4741 O HOH A1367 -16.053 4.806 -35.554 1.00 51.77 O +HETATM 4742 H1 HOH A1367 -15.366 4.407 -34.941 1.00 51.77 H +HETATM 4743 H2 HOH A1367 -15.611 5.066 -36.416 1.00 51.77 H +HETATM 4744 O HOH A1374 -11.258 22.843 -15.256 1.00 45.38 O +HETATM 4745 H1 HOH A1374 -11.414 21.917 -14.904 1.00 45.38 H +HETATM 4746 H2 HOH A1374 -11.922 23.020 -15.986 1.00 45.38 H +HETATM 4747 O HOH A1379 1.460 25.653 -25.134 1.00 53.63 O +HETATM 4748 H1 HOH A1379 1.558 25.650 -24.132 1.00 53.63 H +HETATM 4749 H2 HOH A1379 1.812 26.519 -25.489 1.00 53.63 H +HETATM 4750 O HOH A1381 -10.785 -4.363 -35.468 1.00 52.69 O +HETATM 4751 H1 HOH A1381 -10.882 -4.287 -34.472 1.00 52.69 H +HETATM 4752 H2 HOH A1381 -9.819 -4.506 -35.690 1.00 52.69 H +HETATM 4753 O HOH A1382 11.586 21.266 -17.552 1.00 44.12 O +HETATM 4754 H1 HOH A1382 12.072 22.022 -17.992 1.00 44.12 H +HETATM 4755 H2 HOH A1382 11.771 21.284 -16.568 1.00 44.12 H +HETATM 4756 O HOH A1388 -20.268 13.044 -1.959 1.00 51.68 O +HETATM 4757 H1 HOH A1388 -19.953 13.996 -1.925 1.00 51.68 H +HETATM 4758 H2 HOH A1388 -19.556 12.459 -1.568 1.00 51.68 H +HETATM 4759 O HOH A1394 -8.203 1.938 -4.105 1.00 43.33 O +HETATM 4760 H1 HOH A1394 -8.463 1.333 -4.861 1.00 43.33 H +HETATM 4761 H2 HOH A1394 -8.767 2.767 -4.151 1.00 43.33 H +HETATM 4762 O HOH A1396 -27.765 -2.906 -18.989 1.00 50.68 O +HETATM 4763 H1 HOH A1396 -27.731 -1.905 -18.908 1.00 50.68 H +HETATM 4764 H2 HOH A1396 -27.014 -3.284 -18.440 1.00 50.68 H +HETATM 4765 O HOH A1397 -30.874 11.872 -15.139 1.00 52.33 O +HETATM 4766 H1 HOH A1397 -30.767 11.983 -14.146 1.00 52.33 H +HETATM 4767 H2 HOH A1397 -30.470 10.998 -15.416 1.00 52.33 H +HETATM 4768 O HOH A1400 -36.880 -3.993 -33.716 1.00 50.72 O +HETATM 4769 H1 HOH A1400 -37.147 -3.437 -34.504 1.00 50.72 H +HETATM 4770 H2 HOH A1400 -37.524 -4.752 -33.618 1.00 50.72 H +HETATM 4771 O HOH A1401 -24.206 -1.279 -35.770 1.00 53.88 O +HETATM 4772 H1 HOH A1401 -23.632 -1.063 -36.562 1.00 53.88 H +HETATM 4773 H2 HOH A1401 -25.118 -0.889 -35.914 1.00 53.88 H +HETATM 4774 O HOH A1406 -1.292 8.841 -35.635 1.00 44.73 O +HETATM 4775 H1 HOH A1406 -1.662 8.240 -34.923 1.00 44.73 H +HETATM 4776 H2 HOH A1406 -0.648 9.487 -35.214 1.00 44.73 H +HETATM 4777 O HOH A1412 -0.946 21.652 -15.116 1.00 53.19 O +HETATM 4778 H1 HOH A1412 -1.600 21.432 -15.844 1.00 53.19 H +HETATM 4779 H2 HOH A1412 -1.078 21.016 -14.353 1.00 53.19 H +HETATM 4780 O HOH A1415 -23.399 -9.578 -15.048 1.00 55.01 O +HETATM 4781 H1 HOH A1415 -23.421 -8.698 -15.526 1.00 55.01 H +HETATM 4782 H2 HOH A1415 -24.267 -10.053 -15.194 1.00 55.01 H +HETATM 4783 O HOH A1416 5.715 22.275 -28.185 1.00110.14 O +HETATM 4784 H1 HOH A1416 6.698 22.109 -28.267 1.00110.14 H +HETATM 4785 H2 HOH A1416 5.253 21.393 -28.063 1.00110.14 H +HETATM 4786 O HOH A1417 -27.286 10.455 -33.143 1.00 53.90 O +HETATM 4787 H1 HOH A1417 -27.557 11.412 -33.288 1.00 53.90 H +HETATM 4788 H2 HOH A1417 -27.516 10.197 -32.205 1.00 53.90 H +HETATM 4789 O HOH A1419 -33.125 0.444 -35.100 1.00 58.72 O +HETATM 4790 H1 HOH A1419 -32.946 1.047 -34.319 1.00 58.72 H +HETATM 4791 H2 HOH A1419 -32.253 0.120 -35.472 1.00 58.72 H +CONECT 1 4 5 6 +CONECT 4 1 +CONECT 5 1 +CONECT 6 1 +CONECT 4654 4655 4656 +CONECT 4655 4654 +CONECT 4656 4654 +CONECT 4657 4658 4659 +CONECT 4658 4657 +CONECT 4659 4657 +CONECT 4660 4661 4662 +CONECT 4661 4660 +CONECT 4662 4660 +CONECT 4663 4664 4665 +CONECT 4664 4663 +CONECT 4665 4663 +CONECT 4666 4667 4668 +CONECT 4667 4666 +CONECT 4668 4666 +CONECT 4669 4670 4671 +CONECT 4670 4669 +CONECT 4671 4669 +CONECT 4672 4673 4674 +CONECT 4673 4672 +CONECT 4674 4672 +CONECT 4675 4676 4677 +CONECT 4676 4675 +CONECT 4677 4675 +CONECT 4678 4679 4680 +CONECT 4679 4678 +CONECT 4680 4678 +CONECT 4681 4682 4683 +CONECT 4682 4681 +CONECT 4683 4681 +CONECT 4684 4685 4686 +CONECT 4685 4684 +CONECT 4686 4684 +CONECT 4687 4688 4689 +CONECT 4688 4687 +CONECT 4689 4687 +CONECT 4690 4691 4692 +CONECT 4691 4690 +CONECT 4692 4690 +CONECT 4693 4694 4695 +CONECT 4694 4693 +CONECT 4695 4693 +CONECT 4696 4697 4698 +CONECT 4697 4696 +CONECT 4698 4696 +CONECT 4699 4700 4701 +CONECT 4700 4699 +CONECT 4701 4699 +CONECT 4702 4703 4704 +CONECT 4703 4702 +CONECT 4704 4702 +CONECT 4705 4706 4707 +CONECT 4706 4705 +CONECT 4707 4705 +CONECT 4708 4709 4710 +CONECT 4709 4708 +CONECT 4710 4708 +CONECT 4711 4712 4713 +CONECT 4712 4711 +CONECT 4713 4711 +CONECT 4714 4715 4716 +CONECT 4715 4714 +CONECT 4716 4714 +CONECT 4717 4718 4719 +CONECT 4718 4717 +CONECT 4719 4717 +CONECT 4720 4721 4722 +CONECT 4721 4720 +CONECT 4722 4720 +CONECT 4723 4724 4725 +CONECT 4724 4723 +CONECT 4725 4723 +CONECT 4726 4727 4728 +CONECT 4727 4726 +CONECT 4728 4726 +CONECT 4729 4730 4731 +CONECT 4730 4729 +CONECT 4731 4729 +CONECT 4732 4733 4734 +CONECT 4733 4732 +CONECT 4734 4732 +CONECT 4735 4736 4737 +CONECT 4736 4735 +CONECT 4737 4735 +CONECT 4738 4739 4740 +CONECT 4739 4738 +CONECT 4740 4738 +CONECT 4741 4742 4743 +CONECT 4742 4741 +CONECT 4743 4741 +CONECT 4744 4745 4746 +CONECT 4745 4744 +CONECT 4746 4744 +CONECT 4747 4748 4749 +CONECT 4748 4747 +CONECT 4749 4747 +CONECT 4750 4751 4752 +CONECT 4751 4750 +CONECT 4752 4750 +CONECT 4753 4754 4755 +CONECT 4754 4753 +CONECT 4755 4753 +CONECT 4756 4757 4758 +CONECT 4757 4756 +CONECT 4758 4756 +CONECT 4759 4760 4761 +CONECT 4760 4759 +CONECT 4761 4759 +CONECT 4762 4763 4764 +CONECT 4763 4762 +CONECT 4764 4762 +CONECT 4765 4766 4767 +CONECT 4766 4765 +CONECT 4767 4765 +CONECT 4768 4769 4770 +CONECT 4769 4768 +CONECT 4770 4768 +CONECT 4771 4772 4773 +CONECT 4772 4771 +CONECT 4773 4771 +CONECT 4774 4775 4776 +CONECT 4775 4774 +CONECT 4776 4774 +CONECT 4777 4778 4779 +CONECT 4778 4777 +CONECT 4779 4777 +CONECT 4780 4781 4782 +CONECT 4781 4780 +CONECT 4782 4780 +CONECT 4783 4784 4785 +CONECT 4784 4783 +CONECT 4785 4783 +CONECT 4786 4787 4788 +CONECT 4787 4786 +CONECT 4788 4786 +CONECT 4789 4790 4791 +CONECT 4790 4789 +CONECT 4791 4789 +END