diff --git a/openmm_md/assets/benzene.sdf b/openmm_md/assets/benzene.sdf new file mode 100644 index 0000000..293b295 --- /dev/null +++ b/openmm_md/assets/benzene.sdf @@ -0,0 +1,30 @@ +benzene + PyMOL2.5 3D 0 + + 12 12 0 0 0 0 0 0 0 0999 V2000 + 25.9780 5.3270 4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 + 26.3950 5.0740 3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 + 27.3400 5.8600 2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 + 27.8370 6.9210 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 + 27.4200 7.1960 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 + 26.4980 6.3790 5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.2298 4.6859 5.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 + 25.9676 4.2351 2.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 + 27.6890 5.6311 1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 + 28.5730 7.5660 3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 + 27.8209 8.0598 5.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 + 26.1874 6.5720 6.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 4 0 0 0 0 + 1 6 4 0 0 0 0 + 1 7 1 0 0 0 0 + 2 3 4 0 0 0 0 + 2 8 1 0 0 0 0 + 3 4 4 0 0 0 0 + 3 9 1 0 0 0 0 + 4 5 4 0 0 0 0 + 4 10 1 0 0 0 0 + 5 6 4 0 0 0 0 + 5 11 1 0 0 0 0 + 6 12 1 0 0 0 0 +M END +$$$$ diff --git a/openmm_md/assets/t4_lysozyme.pdb b/openmm_md/assets/t4_lysozyme.pdb new file mode 100644 index 0000000..6182e77 --- /dev/null +++ b/openmm_md/assets/t4_lysozyme.pdb @@ -0,0 +1,2629 @@ +REMARK 1 CREATED WITH OPENMM 7.7, 2022-02-11 +HETATM 1 C ACE A 1 44.003 -3.922 10.269 1.00 0.00 C +HETATM 2 O ACE A 1 43.553 -3.405 11.300 1.00 0.00 O +HETATM 3 CH3 ACE A 1 44.579 -5.322 10.286 1.00 0.00 C +HETATM 4 H1 ACE A 1 43.825 -6.028 10.605 1.00 0.00 H +HETATM 5 H2 ACE A 1 44.917 -5.595 9.297 1.00 0.00 H +HETATM 6 H3 ACE A 1 45.414 -5.370 10.968 1.00 0.00 H +ATOM 7 N MET A 2 43.982 -3.258 9.163 1.00 0.00 N +ATOM 8 H MET A 2 44.361 -3.665 8.330 1.00 0.00 H +ATOM 9 CA MET A 2 43.434 -1.917 9.134 1.00 0.00 C +ATOM 10 HA MET A 2 44.018 -1.275 9.794 1.00 0.00 H +ATOM 11 C MET A 2 42.006 -1.966 9.640 1.00 0.00 C +ATOM 12 O MET A 2 41.334 -2.969 9.468 1.00 0.00 O +ATOM 13 CB MET A 2 43.582 -1.397 7.675 1.00 0.00 C +ATOM 14 HB2 MET A 2 44.607 -1.476 7.338 1.00 0.00 H +ATOM 15 HB3 MET A 2 43.031 -2.106 7.059 1.00 0.00 H +ATOM 16 CG MET A 2 42.903 -0.084 7.444 1.00 0.00 C +ATOM 17 HG2 MET A 2 41.920 -0.006 7.904 1.00 0.00 H +ATOM 18 HG3 MET A 2 42.832 0.038 6.373 1.00 0.00 H +ATOM 19 SD MET A 2 44.006 1.250 7.952 1.00 0.00 S +ATOM 20 CE MET A 2 45.481 0.757 7.112 1.00 0.00 C +ATOM 21 HE1 MET A 2 45.266 0.464 6.084 1.00 0.00 H +ATOM 22 HE2 MET A 2 46.158 1.612 7.079 1.00 0.00 H +ATOM 23 HE3 MET A 2 46.003 -0.031 7.654 1.00 0.00 H +ATOM 24 N ASN A 3 41.577 -0.917 10.331 1.00 0.00 N +ATOM 25 H ASN A 3 42.184 -0.115 10.454 1.00 0.00 H +ATOM 26 CA ASN A 3 40.227 -0.852 10.835 1.00 0.00 C +ATOM 27 HA ASN A 3 39.544 -1.344 10.141 1.00 0.00 H +ATOM 28 C ASN A 3 39.857 0.627 10.904 1.00 0.00 C +ATOM 29 O ASN A 3 40.756 1.443 10.662 1.00 0.00 O +ATOM 30 CB ASN A 3 40.133 -1.529 12.224 1.00 0.00 C +ATOM 31 HB2 ASN A 3 40.371 -2.587 12.111 1.00 0.00 H +ATOM 32 HB3 ASN A 3 39.123 -1.452 12.620 1.00 0.00 H +ATOM 33 CG ASN A 3 41.084 -0.909 13.215 1.00 0.00 C +ATOM 34 ND2 ASN A 3 42.001 -1.711 13.752 1.00 0.00 N +ATOM 35 HD21 ASN A 3 42.689 -1.281 14.350 1.00 0.00 H +ATOM 36 HD22 ASN A 3 42.260 -2.560 13.265 1.00 0.00 H +ATOM 37 OD1 ASN A 3 41.041 0.309 13.479 1.00 0.00 O +ATOM 38 N ILE A 4 38.598 0.950 11.230 1.00 0.00 N +ATOM 39 H ILE A 4 37.952 0.201 11.421 1.00 0.00 H +ATOM 40 CA ILE A 4 38.095 2.316 11.285 1.00 0.00 C +ATOM 41 HA ILE A 4 38.178 2.682 10.262 1.00 0.00 H +ATOM 42 C ILE A 4 38.983 3.288 12.114 1.00 0.00 C +ATOM 43 O ILE A 4 39.269 4.440 11.729 1.00 0.00 O +ATOM 44 CB ILE A 4 36.596 2.331 11.634 1.00 0.00 C +ATOM 45 HB ILE A 4 36.071 1.742 10.879 1.00 0.00 H +ATOM 46 CG1 ILE A 4 36.015 3.749 11.576 1.00 0.00 C +ATOM 47 HG12 ILE A 4 34.940 3.679 11.733 1.00 0.00 H +ATOM 48 HG13 ILE A 4 36.432 4.351 12.384 1.00 0.00 H +ATOM 49 CG2 ILE A 4 36.352 1.659 12.987 1.00 0.00 C +ATOM 50 HG21 ILE A 4 36.462 0.577 12.905 1.00 0.00 H +ATOM 51 HG22 ILE A 4 35.334 1.870 13.321 1.00 0.00 H +ATOM 52 HG23 ILE A 4 37.030 2.041 13.748 1.00 0.00 H +ATOM 53 CD1 ILE A 4 36.262 4.484 10.218 1.00 0.00 C +ATOM 54 HD11 ILE A 4 35.699 5.416 10.202 1.00 0.00 H +ATOM 55 HD12 ILE A 4 35.922 3.855 9.399 1.00 0.00 H +ATOM 56 HD13 ILE A 4 37.314 4.721 10.079 1.00 0.00 H +ATOM 57 N PHE A 5 39.471 2.813 13.251 1.00 0.00 N +ATOM 58 H PHE A 5 39.361 1.835 13.474 1.00 0.00 H +ATOM 59 CA PHE A 5 40.288 3.621 14.120 1.00 0.00 C +ATOM 60 HA PHE A 5 39.758 4.554 14.318 1.00 0.00 H +ATOM 61 C PHE A 5 41.595 4.009 13.514 1.00 0.00 C +ATOM 62 O PHE A 5 42.017 5.171 13.544 1.00 0.00 O +ATOM 63 CB PHE A 5 40.534 2.948 15.448 1.00 0.00 C +ATOM 64 HB2 PHE A 5 41.270 3.526 16.011 1.00 0.00 H +ATOM 65 HB3 PHE A 5 40.938 1.947 15.318 1.00 0.00 H +ATOM 66 CG PHE A 5 39.261 2.896 16.253 1.00 0.00 C +ATOM 67 CD1 PHE A 5 38.915 3.949 17.091 1.00 0.00 C +ATOM 68 HD1 PHE A 5 39.548 4.818 17.161 1.00 0.00 H +ATOM 69 CD2 PHE A 5 38.438 1.771 16.220 1.00 0.00 C +ATOM 70 HD2 PHE A 5 38.715 0.930 15.601 1.00 0.00 H +ATOM 71 CE1 PHE A 5 37.756 3.891 17.868 1.00 0.00 C +ATOM 72 HE1 PHE A 5 37.509 4.711 18.525 1.00 0.00 H +ATOM 73 CE2 PHE A 5 37.266 1.706 16.970 1.00 0.00 C +ATOM 74 HE2 PHE A 5 36.638 0.827 16.932 1.00 0.00 H +ATOM 75 CZ PHE A 5 36.931 2.766 17.809 1.00 0.00 C +ATOM 76 HZ PHE A 5 36.040 2.719 18.420 1.00 0.00 H +ATOM 77 N GLU A 6 42.284 3.029 12.984 1.00 0.00 N +ATOM 78 H GLU A 6 41.932 2.075 13.008 1.00 0.00 H +ATOM 79 CA GLU A 6 43.538 3.324 12.350 1.00 0.00 C +ATOM 80 HA GLU A 6 44.177 3.886 13.032 1.00 0.00 H +ATOM 81 C GLU A 6 43.301 4.168 11.123 1.00 0.00 C +ATOM 82 O GLU A 6 44.143 4.951 10.782 1.00 0.00 O +ATOM 83 CB GLU A 6 44.301 2.059 11.905 1.00 0.00 C +ATOM 84 HB2 GLU A 6 43.716 1.545 11.140 1.00 0.00 H +ATOM 85 HB3 GLU A 6 45.255 2.358 11.469 1.00 0.00 H +ATOM 86 CG GLU A 6 44.570 1.071 13.057 1.00 0.00 C +ATOM 87 HG2 GLU A 6 43.622 0.787 13.513 1.00 0.00 H +ATOM 88 HG3 GLU A 6 45.149 1.601 13.818 1.00 0.00 H +ATOM 89 CD GLU A 6 45.307 -0.199 12.662 1.00 0.00 C +ATOM 90 OE1 GLU A 6 45.539 -0.541 11.509 1.00 0.00 O +ATOM 91 OE2 GLU A 6 45.835 -0.819 13.703 1.00 0.00 O +ATOM 92 N MET A 7 42.196 3.948 10.448 1.00 0.00 N +ATOM 93 H MET A 7 41.591 3.181 10.723 1.00 0.00 H +ATOM 94 CA MET A 7 41.906 4.713 9.248 1.00 0.00 C +ATOM 95 HA MET A 7 42.713 4.594 8.522 1.00 0.00 H +ATOM 96 C MET A 7 41.733 6.191 9.577 1.00 0.00 C +ATOM 97 O MET A 7 42.305 7.096 8.943 1.00 0.00 O +ATOM 98 CB MET A 7 40.583 4.198 8.656 1.00 0.00 C +ATOM 99 HB2 MET A 7 39.757 4.424 9.324 1.00 0.00 H +ATOM 100 HB3 MET A 7 40.638 3.114 8.543 1.00 0.00 H +ATOM 101 CG MET A 7 40.268 4.791 7.289 1.00 0.00 C +ATOM 102 HG2 MET A 7 40.893 4.303 6.540 1.00 0.00 H +ATOM 103 HG3 MET A 7 40.478 5.861 7.277 1.00 0.00 H +ATOM 104 SD MET A 7 38.516 4.549 6.882 1.00 0.00 S +ATOM 105 CE MET A 7 38.491 4.603 5.061 1.00 0.00 C +ATOM 106 HE1 MET A 7 39.227 3.903 4.665 1.00 0.00 H +ATOM 107 HE2 MET A 7 38.716 5.610 4.714 1.00 0.00 H +ATOM 108 HE3 MET A 7 37.504 4.315 4.702 1.00 0.00 H +ATOM 109 N LEU A 8 40.898 6.458 10.569 1.00 0.00 N +ATOM 110 H LEU A 8 40.418 5.702 11.047 1.00 0.00 H +ATOM 111 CA LEU A 8 40.633 7.840 10.929 1.00 0.00 C +ATOM 112 HA LEU A 8 40.452 8.401 10.013 1.00 0.00 H +ATOM 113 C LEU A 8 41.868 8.518 11.566 1.00 0.00 C +ATOM 114 O LEU A 8 42.104 9.741 11.449 1.00 0.00 O +ATOM 115 CB LEU A 8 39.392 7.942 11.817 1.00 0.00 C +ATOM 116 HB2 LEU A 8 39.440 8.855 12.413 1.00 0.00 H +ATOM 117 HB3 LEU A 8 39.401 7.093 12.498 1.00 0.00 H +ATOM 118 CG LEU A 8 38.095 7.927 11.038 1.00 0.00 C +ATOM 119 HG LEU A 8 38.116 7.137 10.286 1.00 0.00 H +ATOM 120 CD1 LEU A 8 36.964 7.641 12.005 1.00 0.00 C +ATOM 121 HD11 LEU A 8 36.022 7.604 11.460 1.00 0.00 H +ATOM 122 HD12 LEU A 8 37.128 6.681 12.494 1.00 0.00 H +ATOM 123 HD13 LEU A 8 36.908 8.429 12.757 1.00 0.00 H +ATOM 124 CD2 LEU A 8 37.911 9.284 10.346 1.00 0.00 C +ATOM 125 HD21 LEU A 8 36.936 9.314 9.867 1.00 0.00 H +ATOM 126 HD22 LEU A 8 38.668 9.429 9.578 1.00 0.00 H +ATOM 127 HD23 LEU A 8 37.968 10.098 11.071 1.00 0.00 H +ATOM 128 N ARG A 9 42.674 7.714 12.256 1.00 0.00 N +ATOM 129 H ARG A 9 42.414 6.740 12.390 1.00 0.00 H +ATOM 130 CA ARG A 9 43.879 8.232 12.881 1.00 0.00 C +ATOM 131 HA ARG A 9 43.575 9.139 13.410 1.00 0.00 H +ATOM 132 C ARG A 9 44.822 8.756 11.814 1.00 0.00 C +ATOM 133 O ARG A 9 45.490 9.750 12.027 1.00 0.00 O +ATOM 134 CB ARG A 9 44.530 7.358 13.934 1.00 0.00 C +ATOM 135 HB2 ARG A 9 43.905 7.328 14.829 1.00 0.00 H +ATOM 136 HB3 ARG A 9 44.570 6.345 13.528 1.00 0.00 H +ATOM 137 CG ARG A 9 45.959 7.753 14.297 1.00 0.00 C +ATOM 138 HG2 ARG A 9 46.436 6.824 14.613 1.00 0.00 H +ATOM 139 HG3 ARG A 9 46.545 8.028 13.433 1.00 0.00 H +ATOM 140 CD ARG A 9 46.112 8.681 15.527 1.00 0.00 C +ATOM 141 HD2 ARG A 9 45.413 9.514 15.413 1.00 0.00 H +ATOM 142 HD3 ARG A 9 45.825 8.130 16.426 1.00 0.00 H +ATOM 143 NE ARG A 9 47.474 9.235 15.686 1.00 0.00 N +ATOM 144 HE ARG A 9 47.912 9.095 16.576 1.00 0.00 H +ATOM 145 CZ ARG A 9 48.157 9.911 14.739 1.00 0.00 C +ATOM 146 NH1 ARG A 9 47.674 10.152 13.525 1.00 0.00 N +ATOM 147 HH11 ARG A 9 48.228 10.584 12.811 1.00 0.00 H +ATOM 148 HH12 ARG A 9 46.718 9.911 13.277 1.00 0.00 H +ATOM 149 NH2 ARG A 9 49.384 10.348 15.035 1.00 0.00 N +ATOM 150 HH21 ARG A 9 49.911 10.840 14.335 1.00 0.00 H +ATOM 151 HH22 ARG A 9 49.786 10.180 15.934 1.00 0.00 H +ATOM 152 N ILE A 10 44.811 8.131 10.651 1.00 0.00 N +ATOM 153 H ILE A 10 44.231 7.305 10.553 1.00 0.00 H +ATOM 154 CA ILE A 10 45.596 8.555 9.524 1.00 0.00 C +ATOM 155 HA ILE A 10 46.586 8.865 9.859 1.00 0.00 H +ATOM 156 C ILE A 10 44.969 9.770 8.851 1.00 0.00 C +ATOM 157 O ILE A 10 45.647 10.700 8.457 1.00 0.00 O +ATOM 158 CB ILE A 10 45.769 7.426 8.495 1.00 0.00 C +ATOM 159 HB ILE A 10 44.812 6.913 8.404 1.00 0.00 H +ATOM 160 CG1 ILE A 10 46.849 6.457 8.921 1.00 0.00 C +ATOM 161 HG12 ILE A 10 47.834 6.789 8.589 1.00 0.00 H +ATOM 162 HG13 ILE A 10 46.869 6.397 10.010 1.00 0.00 H +ATOM 163 CG2 ILE A 10 46.155 7.969 7.105 1.00 0.00 C +ATOM 164 HG21 ILE A 10 47.011 8.642 7.173 1.00 0.00 H +ATOM 165 HG22 ILE A 10 46.413 7.143 6.441 1.00 0.00 H +ATOM 166 HG23 ILE A 10 45.308 8.486 6.650 1.00 0.00 H +ATOM 167 CD1 ILE A 10 46.552 5.045 8.403 1.00 0.00 C +ATOM 168 HD11 ILE A 10 46.531 4.343 9.237 1.00 0.00 H +ATOM 169 HD12 ILE A 10 45.596 4.982 7.886 1.00 0.00 H +ATOM 170 HD13 ILE A 10 47.337 4.740 7.711 1.00 0.00 H +ATOM 171 N ASP A 11 43.683 9.808 8.711 1.00 0.00 N +ATOM 172 H ASP A 11 43.109 9.015 8.973 1.00 0.00 H +ATOM 173 CA ASP A 11 43.099 10.964 8.067 1.00 0.00 C +ATOM 174 HA ASP A 11 43.686 11.234 7.189 1.00 0.00 H +ATOM 175 C ASP A 11 43.051 12.245 8.910 1.00 0.00 C +ATOM 176 O ASP A 11 43.086 13.347 8.392 1.00 0.00 O +ATOM 177 CB ASP A 11 41.680 10.604 7.626 1.00 0.00 C +ATOM 178 HB2 ASP A 11 41.137 11.524 7.414 1.00 0.00 H +ATOM 179 HB3 ASP A 11 41.158 10.069 8.423 1.00 0.00 H +ATOM 180 CG ASP A 11 41.719 9.818 6.391 1.00 0.00 C +ATOM 181 OD1 ASP A 11 42.628 9.900 5.589 1.00 0.00 O +ATOM 182 OD2 ASP A 11 40.724 9.014 6.273 1.00 0.00 O +ATOM 183 N GLU A 12 42.927 12.117 10.224 1.00 0.00 N +ATOM 184 H GLU A 12 42.782 11.195 10.618 1.00 0.00 H +ATOM 185 CA GLU A 12 42.763 13.267 11.074 1.00 0.00 C +ATOM 186 HA GLU A 12 42.444 14.135 10.496 1.00 0.00 H +ATOM 187 C GLU A 12 44.017 13.713 11.821 1.00 0.00 C +ATOM 188 O GLU A 12 44.090 14.848 12.255 1.00 0.00 O +ATOM 189 CB GLU A 12 41.669 12.995 12.129 1.00 0.00 C +ATOM 190 HB2 GLU A 12 41.594 13.801 12.860 1.00 0.00 H +ATOM 191 HB3 GLU A 12 41.971 12.109 12.682 1.00 0.00 H +ATOM 192 CG GLU A 12 40.343 12.685 11.476 1.00 0.00 C +ATOM 193 HG2 GLU A 12 40.438 11.941 10.683 1.00 0.00 H +ATOM 194 HG3 GLU A 12 39.693 12.250 12.238 1.00 0.00 H +ATOM 195 CD GLU A 12 39.674 13.930 10.943 1.00 0.00 C +ATOM 196 OE1 GLU A 12 40.305 15.027 11.265 1.00 0.00 O +ATOM 197 OE2 GLU A 12 38.674 13.918 10.294 1.00 0.00 O +ATOM 198 N GLY A 13 44.990 12.816 12.013 1.00 0.00 N +ATOM 199 H GLY A 13 44.863 11.886 11.637 1.00 0.00 H +ATOM 200 CA GLY A 13 46.160 13.121 12.812 1.00 0.00 C +ATOM 201 HA2 GLY A 13 46.936 12.389 12.623 1.00 0.00 H +ATOM 202 HA3 GLY A 13 46.540 14.104 12.531 1.00 0.00 H +ATOM 203 C GLY A 13 45.801 13.144 14.307 1.00 0.00 C +ATOM 204 O GLY A 13 44.708 12.830 14.714 1.00 0.00 O +ATOM 205 N LEU A 14 46.748 13.506 15.150 1.00 0.00 N +ATOM 206 H LEU A 14 47.624 13.847 14.785 1.00 0.00 H +ATOM 207 CA LEU A 14 46.517 13.633 16.582 1.00 0.00 C +ATOM 208 HA LEU A 14 45.450 13.705 16.795 1.00 0.00 H +ATOM 209 C LEU A 14 47.177 14.923 17.047 1.00 0.00 C +ATOM 210 O LEU A 14 48.351 15.138 16.799 1.00 0.00 O +ATOM 211 CB LEU A 14 47.090 12.436 17.363 1.00 0.00 C +ATOM 212 HB2 LEU A 14 46.398 11.595 17.307 1.00 0.00 H +ATOM 213 HB3 LEU A 14 48.018 12.146 16.871 1.00 0.00 H +ATOM 214 CG LEU A 14 47.425 12.766 18.822 1.00 0.00 C +ATOM 215 HG LEU A 14 47.969 13.699 18.940 1.00 0.00 H +ATOM 216 CD1 LEU A 14 46.161 12.825 19.675 1.00 0.00 C +ATOM 217 HD11 LEU A 14 46.416 12.939 20.724 1.00 0.00 H +ATOM 218 HD12 LEU A 14 45.545 13.667 19.366 1.00 0.00 H +ATOM 219 HD13 LEU A 14 45.587 11.905 19.561 1.00 0.00 H +ATOM 220 CD2 LEU A 14 48.364 11.714 19.390 1.00 0.00 C +ATOM 221 HD21 LEU A 14 47.864 10.745 19.421 1.00 0.00 H +ATOM 222 HD22 LEU A 14 48.631 12.028 20.398 1.00 0.00 H +ATOM 223 HD23 LEU A 14 49.270 11.671 18.788 1.00 0.00 H +ATOM 224 N ARG A 15 46.440 15.813 17.680 1.00 0.00 N +ATOM 225 H ARG A 15 45.440 15.649 17.772 1.00 0.00 H +ATOM 226 CA ARG A 15 46.999 17.069 18.151 1.00 0.00 C +ATOM 227 HA ARG A 15 48.085 16.973 18.202 1.00 0.00 H +ATOM 228 C ARG A 15 46.550 17.274 19.536 1.00 0.00 C +ATOM 229 O ARG A 15 45.379 17.130 19.832 1.00 0.00 O +ATOM 230 CB ARG A 15 46.695 18.247 17.258 1.00 0.00 C +ATOM 231 HB2 ARG A 15 45.639 18.245 17.002 1.00 0.00 H +ATOM 232 HB3 ARG A 15 46.958 19.181 17.758 1.00 0.00 H +ATOM 233 CG ARG A 15 47.547 18.072 16.002 1.00 0.00 C +ATOM 234 HG2 ARG A 15 47.250 17.149 15.505 1.00 0.00 H +ATOM 235 HG3 ARG A 15 48.603 17.990 16.268 1.00 0.00 H +ATOM 236 CD ARG A 15 47.386 19.150 14.974 1.00 0.00 C +ATOM 237 HD2 ARG A 15 46.320 19.348 14.834 1.00 0.00 H +ATOM 238 HD3 ARG A 15 47.799 18.786 14.030 1.00 0.00 H +ATOM 239 NE ARG A 15 48.088 20.362 15.360 1.00 0.00 N +ATOM 240 HE ARG A 15 48.695 20.319 16.159 1.00 0.00 H +ATOM 241 CZ ARG A 15 47.987 21.518 14.710 1.00 0.00 C +ATOM 242 NH1 ARG A 15 47.226 21.645 13.621 1.00 0.00 N +ATOM 243 HH11 ARG A 15 46.664 20.858 13.336 1.00 0.00 H +ATOM 244 HH12 ARG A 15 47.151 22.523 13.140 1.00 0.00 H +ATOM 245 NH2 ARG A 15 48.682 22.561 15.145 1.00 0.00 N +ATOM 246 HH21 ARG A 15 49.257 22.479 15.964 1.00 0.00 H +ATOM 247 HH22 ARG A 15 48.667 23.424 14.632 1.00 0.00 H +ATOM 248 N LEU A 16 47.514 17.523 20.390 1.00 0.00 N +ATOM 249 H LEU A 16 48.472 17.551 20.080 1.00 0.00 H +ATOM 250 CA LEU A 16 47.218 17.658 21.785 1.00 0.00 C +ATOM 251 HA LEU A 16 46.274 17.154 21.997 1.00 0.00 H +ATOM 252 C LEU A 16 46.959 19.076 22.264 1.00 0.00 C +ATOM 253 O LEU A 16 46.706 19.257 23.444 1.00 0.00 O +ATOM 254 CB LEU A 16 48.249 16.968 22.683 1.00 0.00 C +ATOM 255 HB2 LEU A 16 47.976 17.119 23.726 1.00 0.00 H +ATOM 256 HB3 LEU A 16 49.215 17.450 22.526 1.00 0.00 H +ATOM 257 CG LEU A 16 48.403 15.456 22.445 1.00 0.00 C +ATOM 258 HG LEU A 16 48.709 15.269 21.415 1.00 0.00 H +ATOM 259 CD1 LEU A 16 49.492 14.938 23.379 1.00 0.00 C +ATOM 260 HD11 LEU A 16 49.200 15.110 24.416 1.00 0.00 H +ATOM 261 HD12 LEU A 16 49.644 13.872 23.218 1.00 0.00 H +ATOM 262 HD13 LEU A 16 50.427 15.463 23.182 1.00 0.00 H +ATOM 263 CD2 LEU A 16 47.109 14.692 22.732 1.00 0.00 C +ATOM 264 HD21 LEU A 16 46.759 14.929 23.736 1.00 0.00 H +ATOM 265 HD22 LEU A 16 47.303 13.626 22.666 1.00 0.00 H +ATOM 266 HD23 LEU A 16 46.340 14.962 22.010 1.00 0.00 H +ATOM 267 N LYS A 17 47.015 20.051 21.389 1.00 0.00 N +ATOM 268 H LYS A 17 47.136 19.841 20.411 1.00 0.00 H +ATOM 269 CA LYS A 17 46.708 21.436 21.780 1.00 0.00 C +ATOM 270 HA LYS A 17 46.274 21.469 22.780 1.00 0.00 H +ATOM 271 C LYS A 17 45.647 21.964 20.836 1.00 0.00 C +ATOM 272 O LYS A 17 45.673 21.516 19.697 1.00 0.00 O +ATOM 273 CB LYS A 17 48.009 22.241 21.801 1.00 0.00 C +ATOM 274 HB2 LYS A 17 48.618 21.900 20.961 1.00 0.00 H +ATOM 275 HB3 LYS A 17 48.568 21.999 22.706 1.00 0.00 H +ATOM 276 CG LYS A 17 47.832 23.733 21.621 1.00 0.00 C +ATOM 277 HG2 LYS A 17 46.885 24.052 21.204 1.00 0.00 H +ATOM 278 HG3 LYS A 17 48.576 24.034 20.881 1.00 0.00 H +ATOM 279 CD LYS A 17 48.147 24.536 22.878 1.00 0.00 C +ATOM 280 HD2 LYS A 17 48.756 25.388 22.568 1.00 0.00 H +ATOM 281 HD3 LYS A 17 48.743 23.961 23.588 1.00 0.00 H +ATOM 282 CE LYS A 17 46.887 25.089 23.559 1.00 0.00 C +ATOM 283 HE2 LYS A 17 46.356 24.247 23.995 1.00 0.00 H +ATOM 284 HE3 LYS A 17 46.246 25.528 22.787 1.00 0.00 H +ATOM 285 NZ LYS A 17 47.181 26.099 24.609 1.00 0.00 N +ATOM 286 HZ1 LYS A 17 47.766 25.675 25.322 1.00 0.00 H +ATOM 287 HZ2 LYS A 17 46.330 26.402 25.057 1.00 0.00 H +ATOM 288 HZ3 LYS A 17 47.677 26.886 24.210 1.00 0.00 H +ATOM 289 N ILE A 18 44.685 22.822 21.285 1.00 0.00 N +ATOM 290 H ILE A 18 44.661 23.042 22.270 1.00 0.00 H +ATOM 291 CA ILE A 18 43.607 23.297 20.400 1.00 0.00 C +ATOM 292 HA ILE A 18 42.937 22.460 20.204 1.00 0.00 H +ATOM 293 C ILE A 18 44.163 23.749 19.075 1.00 0.00 C +ATOM 294 O ILE A 18 45.220 24.375 19.087 1.00 0.00 O +ATOM 295 CB ILE A 18 42.789 24.435 21.027 1.00 0.00 C +ATOM 296 HB ILE A 18 43.471 25.222 21.356 1.00 0.00 H +ATOM 297 CG1 ILE A 18 42.046 23.902 22.247 1.00 0.00 C +ATOM 298 HG12 ILE A 18 42.768 23.616 23.011 1.00 0.00 H +ATOM 299 HG13 ILE A 18 41.459 23.026 21.971 1.00 0.00 H +ATOM 300 CG2 ILE A 18 41.792 25.056 20.026 1.00 0.00 C +ATOM 301 HG21 ILE A 18 40.786 25.211 20.397 1.00 0.00 H +ATOM 302 HG22 ILE A 18 41.627 24.425 19.157 1.00 0.00 H +ATOM 303 HG23 ILE A 18 42.174 26.026 19.704 1.00 0.00 H +ATOM 304 CD1 ILE A 18 41.103 24.937 22.842 1.00 0.00 C +ATOM 305 HD11 ILE A 18 41.566 25.923 22.846 1.00 0.00 H +ATOM 306 HD12 ILE A 18 40.143 24.962 22.331 1.00 0.00 H +ATOM 307 HD13 ILE A 18 40.884 24.658 23.873 1.00 0.00 H +ATOM 308 N TYR A 19 43.535 23.422 17.955 1.00 0.00 N +ATOM 309 H TYR A 19 42.685 22.868 17.985 1.00 0.00 H +ATOM 310 CA TYR A 19 44.045 23.872 16.666 1.00 0.00 C +ATOM 311 HA TYR A 19 44.568 24.819 16.807 1.00 0.00 H +ATOM 312 C TYR A 19 42.889 24.158 15.776 1.00 0.00 C +ATOM 313 O TYR A 19 41.730 23.848 16.121 1.00 0.00 O +ATOM 314 CB TYR A 19 45.041 22.891 15.991 1.00 0.00 C +ATOM 315 HB2 TYR A 19 45.489 23.372 15.122 1.00 0.00 H +ATOM 316 HB3 TYR A 19 45.843 22.659 16.694 1.00 0.00 H +ATOM 317 CG TYR A 19 44.361 21.618 15.572 1.00 0.00 C +ATOM 318 CD1 TYR A 19 44.131 20.630 16.525 1.00 0.00 C +ATOM 319 HD1 TYR A 19 44.437 20.786 17.552 1.00 0.00 H +ATOM 320 CD2 TYR A 19 43.928 21.420 14.259 1.00 0.00 C +ATOM 321 HD2 TYR A 19 44.168 22.152 13.518 1.00 0.00 H +ATOM 322 CE1 TYR A 19 43.477 19.449 16.165 1.00 0.00 C +ATOM 323 HE1 TYR A 19 43.282 18.681 16.897 1.00 0.00 H +ATOM 324 CE2 TYR A 19 43.295 20.241 13.873 1.00 0.00 C +ATOM 325 HE2 TYR A 19 42.972 20.071 12.856 1.00 0.00 H +ATOM 326 CZ TYR A 19 43.064 19.266 14.846 1.00 0.00 C +ATOM 327 OH TYR A 19 42.481 18.075 14.502 1.00 0.00 O +ATOM 328 HH TYR A 19 42.853 17.321 14.960 1.00 0.00 H +ATOM 329 N LYS A 20 43.181 24.761 14.644 1.00 0.00 N +ATOM 330 H LYS A 20 44.134 24.941 14.372 1.00 0.00 H +ATOM 331 CA LYS A 20 42.100 25.017 13.730 1.00 0.00 C +ATOM 332 HA LYS A 20 41.138 24.972 14.231 1.00 0.00 H +ATOM 333 C LYS A 20 42.106 23.969 12.668 1.00 0.00 C +ATOM 334 O LYS A 20 43.183 23.620 12.162 1.00 0.00 O +ATOM 335 CB LYS A 20 42.189 26.386 13.078 1.00 0.00 C +ATOM 336 HB2 LYS A 20 41.448 26.414 12.279 1.00 0.00 H +ATOM 337 HB3 LYS A 20 43.174 26.533 12.631 1.00 0.00 H +ATOM 338 CG LYS A 20 41.893 27.487 14.044 1.00 0.00 C +ATOM 339 HG2 LYS A 20 42.813 27.714 14.585 1.00 0.00 H +ATOM 340 HG3 LYS A 20 41.146 27.164 14.772 1.00 0.00 H +ATOM 341 CD LYS A 20 41.374 28.731 13.368 1.00 0.00 C +ATOM 342 HD2 LYS A 20 40.302 28.697 13.333 1.00 0.00 H +ATOM 343 HD3 LYS A 20 41.778 28.800 12.356 1.00 0.00 H +ATOM 344 CE LYS A 20 41.737 29.991 14.136 1.00 0.00 C +ATOM 345 HE2 LYS A 20 42.815 29.973 14.322 1.00 0.00 H +ATOM 346 HE3 LYS A 20 41.242 29.940 15.113 1.00 0.00 H +ATOM 347 NZ LYS A 20 41.380 31.273 13.461 1.00 0.00 N +ATOM 348 HZ1 LYS A 20 41.850 31.343 12.569 1.00 0.00 H +ATOM 349 HZ2 LYS A 20 41.633 32.066 14.038 1.00 0.00 H +ATOM 350 HZ3 LYS A 20 40.379 31.298 13.303 1.00 0.00 H +ATOM 351 N ASP A 21 40.913 23.515 12.339 1.00 0.00 N +ATOM 352 H ASP A 21 40.083 23.853 12.806 1.00 0.00 H +ATOM 353 CA ASP A 21 40.772 22.504 11.330 1.00 0.00 C +ATOM 354 HA ASP A 21 41.640 21.850 11.413 1.00 0.00 H +ATOM 355 C ASP A 21 40.852 23.066 9.911 1.00 0.00 C +ATOM 356 O ASP A 21 41.129 24.248 9.713 1.00 0.00 O +ATOM 357 CB ASP A 21 39.586 21.575 11.611 1.00 0.00 C +ATOM 358 HB2 ASP A 21 39.771 20.650 11.062 1.00 0.00 H +ATOM 359 HB3 ASP A 21 39.606 21.302 12.647 1.00 0.00 H +ATOM 360 CG ASP A 21 38.238 22.054 11.192 1.00 0.00 C +ATOM 361 OD1 ASP A 21 38.244 23.261 10.763 1.00 0.00 O +ATOM 362 OD2 ASP A 21 37.238 21.365 11.231 1.00 0.00 O +ATOM 363 N THR A 22 40.591 22.249 8.909 1.00 0.00 N +ATOM 364 H THR A 22 40.276 21.304 9.073 1.00 0.00 H +ATOM 365 CA THR A 22 40.721 22.757 7.555 1.00 0.00 C +ATOM 366 HA THR A 22 41.702 23.223 7.462 1.00 0.00 H +ATOM 367 C THR A 22 39.731 23.806 7.224 1.00 0.00 C +ATOM 368 O THR A 22 39.948 24.545 6.255 1.00 0.00 O +ATOM 369 CB THR A 22 40.641 21.676 6.486 1.00 0.00 C +ATOM 370 HB THR A 22 40.999 22.064 5.531 1.00 0.00 H +ATOM 371 CG2 THR A 22 41.479 20.479 6.931 1.00 0.00 C +ATOM 372 HG21 THR A 22 40.974 19.937 7.731 1.00 0.00 H +ATOM 373 HG22 THR A 22 42.473 20.787 7.257 1.00 0.00 H +ATOM 374 HG23 THR A 22 41.591 19.809 6.079 1.00 0.00 H +ATOM 375 OG1 THR A 22 39.297 21.284 6.382 1.00 0.00 O +ATOM 376 HG1 THR A 22 38.725 22.063 6.409 1.00 0.00 H +ATOM 377 N GLU A 23 38.658 23.848 8.002 1.00 0.00 N +ATOM 378 H GLU A 23 38.593 23.289 8.852 1.00 0.00 H +ATOM 379 CA GLU A 23 37.607 24.826 7.752 1.00 0.00 C +ATOM 380 HA GLU A 23 37.627 25.167 6.716 1.00 0.00 H +ATOM 381 C GLU A 23 37.802 26.042 8.608 1.00 0.00 C +ATOM 382 O GLU A 23 37.086 27.000 8.472 1.00 0.00 O +ATOM 383 CB GLU A 23 36.229 24.245 8.029 1.00 0.00 C +ATOM 384 HB2 GLU A 23 35.475 25.032 8.001 1.00 0.00 H +ATOM 385 HB3 GLU A 23 36.223 23.839 9.041 1.00 0.00 H +ATOM 386 CG GLU A 23 35.803 23.119 7.062 1.00 0.00 C +ATOM 387 HG2 GLU A 23 36.568 22.339 7.066 1.00 0.00 H +ATOM 388 HG3 GLU A 23 34.886 22.670 7.453 1.00 0.00 H +ATOM 389 CD GLU A 23 35.537 23.554 5.641 1.00 0.00 C +ATOM 390 OE1 GLU A 23 34.990 24.737 5.534 1.00 0.00 O +ATOM 391 OE2 GLU A 23 35.788 22.854 4.684 1.00 0.00 O +ATOM 392 N GLY A 24 38.802 25.975 9.498 1.00 0.00 N +ATOM 393 H GLY A 24 39.336 25.113 9.550 1.00 0.00 H +ATOM 394 CA GLY A 24 39.125 27.029 10.418 1.00 0.00 C +ATOM 395 HA2 GLY A 24 38.829 27.990 9.998 1.00 0.00 H +ATOM 396 HA3 GLY A 24 40.202 27.030 10.564 1.00 0.00 H +ATOM 397 C GLY A 24 38.453 26.867 11.772 1.00 0.00 C +ATOM 398 O GLY A 24 38.416 27.826 12.506 1.00 0.00 O +ATOM 399 N TYR A 25 37.953 25.681 12.130 1.00 0.00 N +ATOM 400 H TYR A 25 37.989 24.884 11.492 1.00 0.00 H +ATOM 401 CA TYR A 25 37.311 25.534 13.435 1.00 0.00 C +ATOM 402 HA TYR A 25 37.017 26.517 13.799 1.00 0.00 H +ATOM 403 C TYR A 25 38.194 24.930 14.469 1.00 0.00 C +ATOM 404 O TYR A 25 39.019 24.051 14.196 1.00 0.00 O +ATOM 405 CB TYR A 25 36.048 24.689 13.435 1.00 0.00 C +ATOM 406 HB2 TYR A 25 36.320 23.657 13.204 1.00 0.00 H +ATOM 407 HB3 TYR A 25 35.595 24.721 14.422 1.00 0.00 H +ATOM 408 CG TYR A 25 35.055 25.172 12.447 1.00 0.00 C +ATOM 409 CD1 TYR A 25 34.659 26.507 12.443 1.00 0.00 C +ATOM 410 HD1 TYR A 25 35.081 27.207 13.151 1.00 0.00 H +ATOM 411 CD2 TYR A 25 34.486 24.293 11.532 1.00 0.00 C +ATOM 412 HD2 TYR A 25 34.842 23.268 11.492 1.00 0.00 H +ATOM 413 CE1 TYR A 25 33.697 26.962 11.544 1.00 0.00 C +ATOM 414 HE1 TYR A 25 33.391 27.998 11.558 1.00 0.00 H +ATOM 415 CE2 TYR A 25 33.549 24.738 10.605 1.00 0.00 C +ATOM 416 HE2 TYR A 25 33.177 24.075 9.841 1.00 0.00 H +ATOM 417 CZ TYR A 25 33.155 26.077 10.613 1.00 0.00 C +ATOM 418 OH TYR A 25 32.235 26.533 9.711 1.00 0.00 O +ATOM 419 HH TYR A 25 32.508 27.385 9.363 1.00 0.00 H +ATOM 420 N TYR A 26 37.986 25.431 15.671 1.00 0.00 N +ATOM 421 H TYR A 26 37.244 26.105 15.791 1.00 0.00 H +ATOM 422 CA TYR A 26 38.655 24.959 16.849 1.00 0.00 C +ATOM 423 HA TYR A 26 39.722 25.066 16.681 1.00 0.00 H +ATOM 424 C TYR A 26 38.376 23.476 17.054 1.00 0.00 C +ATOM 425 O TYR A 26 37.220 23.074 17.179 1.00 0.00 O +ATOM 426 CB TYR A 26 38.266 25.826 18.083 1.00 0.00 C +ATOM 427 HB2 TYR A 26 37.180 25.880 18.164 1.00 0.00 H +ATOM 428 HB3 TYR A 26 38.655 25.341 18.977 1.00 0.00 H +ATOM 429 CG TYR A 26 38.866 27.223 17.996 1.00 0.00 C +ATOM 430 CD1 TYR A 26 40.242 27.370 17.843 1.00 0.00 C +ATOM 431 HD1 TYR A 26 40.875 26.497 17.790 1.00 0.00 H +ATOM 432 CD2 TYR A 26 38.084 28.379 18.072 1.00 0.00 C +ATOM 433 HD2 TYR A 26 37.011 28.289 18.193 1.00 0.00 H +ATOM 434 CE1 TYR A 26 40.823 28.632 17.735 1.00 0.00 C +ATOM 435 HE1 TYR A 26 41.891 28.738 17.625 1.00 0.00 H +ATOM 436 CE2 TYR A 26 38.646 29.655 17.965 1.00 0.00 C +ATOM 437 HE2 TYR A 26 38.015 30.505 18.042 1.00 0.00 H +ATOM 438 CZ TYR A 26 40.021 29.774 17.828 1.00 0.00 C +ATOM 439 OH TYR A 26 40.604 31.010 17.739 1.00 0.00 O +ATOM 440 HH TYR A 26 39.938 31.700 17.838 1.00 0.00 H +ATOM 441 N THR A 27 39.483 22.696 17.027 1.00 0.00 N +ATOM 442 H THR A 27 40.380 23.137 16.879 1.00 0.00 H +ATOM 443 CA THR A 27 39.472 21.238 17.137 1.00 0.00 C +ATOM 444 HA THR A 27 38.510 20.865 17.482 1.00 0.00 H +ATOM 445 C THR A 27 40.582 20.830 18.109 1.00 0.00 C +ATOM 446 O THR A 27 41.452 21.633 18.378 1.00 0.00 O +ATOM 447 CB THR A 27 39.771 20.705 15.687 1.00 0.00 C +ATOM 448 HB THR A 27 40.733 21.120 15.380 1.00 0.00 H +ATOM 449 CG2 THR A 27 39.882 19.191 15.535 1.00 0.00 C +ATOM 450 HG21 THR A 27 40.661 18.785 16.171 1.00 0.00 H +ATOM 451 HG22 THR A 27 38.926 18.745 15.801 1.00 0.00 H +ATOM 452 HG23 THR A 27 40.089 18.953 14.492 1.00 0.00 H +ATOM 453 OG1 THR A 27 38.818 21.190 14.795 1.00 0.00 O +ATOM 454 HG1 THR A 27 38.974 22.134 14.645 1.00 0.00 H +ATOM 455 N ILE A 28 40.590 19.602 18.636 1.00 0.00 N +ATOM 456 H ILE A 28 39.816 18.981 18.411 1.00 0.00 H +ATOM 457 CA ILE A 28 41.647 19.066 19.488 1.00 0.00 C +ATOM 458 HA ILE A 28 42.601 19.482 19.161 1.00 0.00 H +ATOM 459 C ILE A 28 41.678 17.543 19.260 1.00 0.00 C +ATOM 460 O ILE A 28 40.697 16.964 18.751 1.00 0.00 O +ATOM 461 CB ILE A 28 41.436 19.422 20.971 1.00 0.00 C +ATOM 462 HB ILE A 28 41.178 20.482 21.009 1.00 0.00 H +ATOM 463 CG1 ILE A 28 42.691 19.176 21.819 1.00 0.00 C +ATOM 464 HG12 ILE A 28 43.556 19.034 21.170 1.00 0.00 H +ATOM 465 HG13 ILE A 28 42.571 18.258 22.391 1.00 0.00 H +ATOM 466 CG2 ILE A 28 40.252 18.616 21.503 1.00 0.00 C +ATOM 467 HG21 ILE A 28 40.063 18.915 22.526 1.00 0.00 H +ATOM 468 HG22 ILE A 28 40.457 17.545 21.516 1.00 0.00 H +ATOM 469 HG23 ILE A 28 39.356 18.807 20.910 1.00 0.00 H +ATOM 470 CD1 ILE A 28 43.034 20.298 22.758 1.00 0.00 C +ATOM 471 HD11 ILE A 28 42.229 21.020 22.834 1.00 0.00 H +ATOM 472 HD12 ILE A 28 43.941 20.776 22.429 1.00 0.00 H +ATOM 473 HD13 ILE A 28 43.239 19.890 23.747 1.00 0.00 H +ATOM 474 N GLY A 29 42.767 16.884 19.618 1.00 0.00 N +ATOM 475 H GLY A 29 43.583 17.380 19.955 1.00 0.00 H +ATOM 476 CA GLY A 29 42.837 15.417 19.536 1.00 0.00 C +ATOM 477 HA2 GLY A 29 43.754 15.079 20.017 1.00 0.00 H +ATOM 478 HA3 GLY A 29 42.002 15.001 20.102 1.00 0.00 H +ATOM 479 C GLY A 29 42.808 14.845 18.133 1.00 0.00 C +ATOM 480 O GLY A 29 43.586 15.262 17.289 1.00 0.00 O +ATOM 481 N ILE A 30 41.957 13.840 17.922 1.00 0.00 N +ATOM 482 H ILE A 30 41.328 13.557 18.659 1.00 0.00 H +ATOM 483 CA ILE A 30 41.831 13.198 16.635 1.00 0.00 C +ATOM 484 HA ILE A 30 42.674 13.488 16.007 1.00 0.00 H +ATOM 485 C ILE A 30 40.600 13.652 15.897 1.00 0.00 C +ATOM 486 O ILE A 30 39.627 12.922 15.734 1.00 0.00 O +ATOM 487 CB ILE A 30 41.887 11.675 16.745 1.00 0.00 C +ATOM 488 HB ILE A 30 41.031 11.308 17.314 1.00 0.00 H +ATOM 489 CG1 ILE A 30 43.189 11.241 17.409 1.00 0.00 C +ATOM 490 HG12 ILE A 30 43.972 11.095 16.664 1.00 0.00 H +ATOM 491 HG13 ILE A 30 43.564 12.011 18.078 1.00 0.00 H +ATOM 492 CG2 ILE A 30 41.884 11.099 15.340 1.00 0.00 C +ATOM 493 HG21 ILE A 30 42.084 10.029 15.390 1.00 0.00 H +ATOM 494 HG22 ILE A 30 40.921 11.189 14.842 1.00 0.00 H +ATOM 495 HG23 ILE A 30 42.647 11.560 14.721 1.00 0.00 H +ATOM 496 CD1 ILE A 30 43.079 9.984 18.253 1.00 0.00 C +ATOM 497 HD11 ILE A 30 44.056 9.747 18.676 1.00 0.00 H +ATOM 498 HD12 ILE A 30 42.376 10.139 19.069 1.00 0.00 H +ATOM 499 HD13 ILE A 30 42.760 9.152 17.629 1.00 0.00 H +ATOM 500 N GLY A 31 40.643 14.898 15.455 1.00 0.00 N +ATOM 501 H GLY A 31 41.492 15.434 15.525 1.00 0.00 H +ATOM 502 CA GLY A 31 39.510 15.413 14.721 1.00 0.00 C +ATOM 503 HA2 GLY A 31 39.810 16.337 14.226 1.00 0.00 H +ATOM 504 HA3 GLY A 31 39.223 14.709 13.938 1.00 0.00 H +ATOM 505 C GLY A 31 38.278 15.720 15.570 1.00 0.00 C +ATOM 506 O GLY A 31 37.159 15.738 15.072 1.00 0.00 O +ATOM 507 N HIS A 32 38.456 16.020 16.845 1.00 0.00 N +ATOM 508 H HIS A 32 39.376 16.061 17.259 1.00 0.00 H +ATOM 509 CA HIS A 32 37.278 16.327 17.647 1.00 0.00 C +ATOM 510 HA HIS A 32 36.428 15.723 17.319 1.00 0.00 H +ATOM 511 C HIS A 32 36.906 17.797 17.524 1.00 0.00 C +ATOM 512 O HIS A 32 37.581 18.662 18.150 1.00 0.00 O +ATOM 513 CB HIS A 32 37.519 15.962 19.138 1.00 0.00 C +ATOM 514 HB2 HIS A 32 37.795 14.909 19.210 1.00 0.00 H +ATOM 515 HB3 HIS A 32 38.335 16.558 19.542 1.00 0.00 H +ATOM 516 CG HIS A 32 36.299 16.200 19.977 1.00 0.00 C +ATOM 517 CD2 HIS A 32 35.982 17.242 20.831 1.00 0.00 C +ATOM 518 HD2 HIS A 32 36.595 18.104 21.040 1.00 0.00 H +ATOM 519 ND1 HIS A 32 35.223 15.326 19.973 1.00 0.00 N +ATOM 520 HD1 HIS A 32 35.146 14.445 19.457 1.00 0.00 H +ATOM 521 CE1 HIS A 32 34.288 15.829 20.776 1.00 0.00 C +ATOM 522 HE1 HIS A 32 33.327 15.367 20.963 1.00 0.00 H +ATOM 523 NE2 HIS A 32 34.720 16.984 21.307 1.00 0.00 N +ATOM 524 N LEU A 33 35.868 18.122 16.745 1.00 0.00 N +ATOM 525 H LEU A 33 35.401 17.388 16.231 1.00 0.00 H +ATOM 526 CA LEU A 33 35.424 19.499 16.602 1.00 0.00 C +ATOM 527 HA LEU A 33 36.275 20.083 16.246 1.00 0.00 H +ATOM 528 C LEU A 33 34.976 20.045 17.964 1.00 0.00 C +ATOM 529 O LEU A 33 34.216 19.449 18.719 1.00 0.00 O +ATOM 530 CB LEU A 33 34.287 19.581 15.577 1.00 0.00 C +ATOM 531 HB2 LEU A 33 33.500 18.886 15.875 1.00 0.00 H +ATOM 532 HB3 LEU A 33 34.669 19.266 14.604 1.00 0.00 H +ATOM 533 CG LEU A 33 33.682 20.976 15.459 1.00 0.00 C +ATOM 534 HG LEU A 33 33.271 21.305 16.413 1.00 0.00 H +ATOM 535 CD1 LEU A 33 34.747 21.958 15.002 1.00 0.00 C +ATOM 536 HD11 LEU A 33 35.190 21.626 14.060 1.00 0.00 H +ATOM 537 HD12 LEU A 33 35.533 22.068 15.738 1.00 0.00 H +ATOM 538 HD13 LEU A 33 34.293 22.936 14.860 1.00 0.00 H +ATOM 539 CD2 LEU A 33 32.569 20.989 14.439 1.00 0.00 C +ATOM 540 HD21 LEU A 33 32.949 20.658 13.471 1.00 0.00 H +ATOM 541 HD22 LEU A 33 31.774 20.319 14.768 1.00 0.00 H +ATOM 542 HD23 LEU A 33 32.179 22.000 14.358 1.00 0.00 H +ATOM 543 N LEU A 34 35.461 21.180 18.344 1.00 0.00 N +ATOM 544 H LEU A 34 36.135 21.687 17.782 1.00 0.00 H +ATOM 545 CA LEU A 34 35.025 21.681 19.619 1.00 0.00 C +ATOM 546 HA LEU A 34 34.673 20.905 20.296 1.00 0.00 H +ATOM 547 C LEU A 34 33.848 22.660 19.482 1.00 0.00 C +ATOM 548 O LEU A 34 32.879 22.609 20.244 1.00 0.00 O +ATOM 549 CB LEU A 34 36.199 22.393 20.317 1.00 0.00 C +ATOM 550 HB2 LEU A 34 36.672 23.076 19.615 1.00 0.00 H +ATOM 551 HB3 LEU A 34 35.793 23.004 21.126 1.00 0.00 H +ATOM 552 CG LEU A 34 37.242 21.463 20.913 1.00 0.00 C +ATOM 553 HG LEU A 34 37.605 20.755 20.168 1.00 0.00 H +ATOM 554 CD1 LEU A 34 38.384 22.324 21.390 1.00 0.00 C +ATOM 555 HD11 LEU A 34 38.024 23.077 22.093 1.00 0.00 H +ATOM 556 HD12 LEU A 34 38.857 22.814 20.539 1.00 0.00 H +ATOM 557 HD13 LEU A 34 39.125 21.700 21.887 1.00 0.00 H +ATOM 558 CD2 LEU A 34 36.667 20.723 22.113 1.00 0.00 C +ATOM 559 HD21 LEU A 34 35.818 20.107 21.821 1.00 0.00 H +ATOM 560 HD22 LEU A 34 36.341 21.428 22.878 1.00 0.00 H +ATOM 561 HD23 LEU A 34 37.417 20.053 22.517 1.00 0.00 H +ATOM 562 N THR A 35 33.987 23.592 18.521 1.00 0.00 N +ATOM 563 H THR A 35 34.828 23.580 17.956 1.00 0.00 H +ATOM 564 CA THR A 35 32.986 24.642 18.256 1.00 0.00 C +ATOM 565 HA THR A 35 31.992 24.196 18.262 1.00 0.00 H +ATOM 566 C THR A 35 33.221 25.336 16.932 1.00 0.00 C +ATOM 567 O THR A 35 34.380 25.468 16.510 1.00 0.00 O +ATOM 568 CB THR A 35 33.033 25.769 19.344 1.00 0.00 C +ATOM 569 HB THR A 35 32.786 25.321 20.306 1.00 0.00 H +ATOM 570 CG2 THR A 35 34.398 26.431 19.470 1.00 0.00 C +ATOM 571 HG21 THR A 35 35.169 25.681 19.639 1.00 0.00 H +ATOM 572 HG22 THR A 35 34.380 27.110 20.321 1.00 0.00 H +ATOM 573 HG23 THR A 35 34.637 27.008 18.576 1.00 0.00 H +ATOM 574 OG1 THR A 35 32.100 26.789 19.087 1.00 0.00 O +ATOM 575 HG1 THR A 35 31.531 26.815 19.865 1.00 0.00 H +ATOM 576 N LYS A 36 32.148 25.842 16.314 1.00 0.00 N +ATOM 577 H LYS A 36 31.245 25.753 16.755 1.00 0.00 H +ATOM 578 CA LYS A 36 32.293 26.619 15.096 1.00 0.00 C +ATOM 579 HA LYS A 36 33.232 26.339 14.616 1.00 0.00 H +ATOM 580 C LYS A 36 32.444 28.121 15.358 1.00 0.00 C +ATOM 581 O LYS A 36 32.611 28.885 14.434 1.00 0.00 O +ATOM 582 CB LYS A 36 31.229 26.378 14.104 1.00 0.00 C +ATOM 583 HB2 LYS A 36 30.267 26.690 14.514 1.00 0.00 H +ATOM 584 HB3 LYS A 36 31.426 26.945 13.193 1.00 0.00 H +ATOM 585 CG LYS A 36 31.191 24.899 13.772 1.00 0.00 C +ATOM 586 HG2 LYS A 36 30.989 24.316 14.671 1.00 0.00 H +ATOM 587 HG3 LYS A 36 32.160 24.594 13.372 1.00 0.00 H +ATOM 588 CD LYS A 36 30.131 24.557 12.782 1.00 0.00 C +ATOM 589 HD2 LYS A 36 29.159 24.895 13.146 1.00 0.00 H +ATOM 590 HD3 LYS A 36 30.358 25.093 11.857 1.00 0.00 H +ATOM 591 CE LYS A 36 30.071 23.077 12.513 1.00 0.00 C +ATOM 592 HE2 LYS A 36 31.049 22.659 12.771 1.00 0.00 H +ATOM 593 HE3 LYS A 36 29.337 22.622 13.186 1.00 0.00 H +ATOM 594 NZ LYS A 36 29.787 22.724 11.102 1.00 0.00 N +ATOM 595 HZ1 LYS A 36 28.880 23.071 10.818 1.00 0.00 H +ATOM 596 HZ2 LYS A 36 29.820 21.720 10.969 1.00 0.00 H +ATOM 597 HZ3 LYS A 36 30.490 23.141 10.501 1.00 0.00 H +ATOM 598 N SER A 37 32.383 28.507 16.622 1.00 0.00 N +ATOM 599 H SER A 37 32.341 27.799 17.344 1.00 0.00 H +ATOM 600 CA SER A 37 32.532 29.893 17.028 1.00 0.00 C +ATOM 601 HA SER A 37 31.854 30.448 16.390 1.00 0.00 H +ATOM 602 C SER A 37 33.987 30.315 16.900 1.00 0.00 C +ATOM 603 O SER A 37 34.918 29.529 17.107 1.00 0.00 O +ATOM 604 CB SER A 37 32.048 30.129 18.454 1.00 0.00 C +ATOM 605 HB2 SER A 37 31.915 29.185 18.973 1.00 0.00 H +ATOM 606 HB3 SER A 37 31.093 30.655 18.434 1.00 0.00 H +ATOM 607 OG SER A 37 33.007 30.894 19.157 1.00 0.00 O +ATOM 608 HG SER A 37 32.790 30.822 20.090 1.00 0.00 H +ATOM 609 N PRO A 38 34.200 31.589 16.582 1.00 0.00 N +ATOM 610 CA PRO A 38 35.528 32.147 16.378 1.00 0.00 C +ATOM 611 HA PRO A 38 36.091 31.482 15.722 1.00 0.00 H +ATOM 612 C PRO A 38 36.327 32.364 17.654 1.00 0.00 C +ATOM 613 O PRO A 38 37.517 32.682 17.626 1.00 0.00 O +ATOM 614 CB PRO A 38 35.285 33.473 15.664 1.00 0.00 C +ATOM 615 HB2 PRO A 38 36.051 33.662 14.911 1.00 0.00 H +ATOM 616 HB3 PRO A 38 35.281 34.288 16.391 1.00 0.00 H +ATOM 617 CG PRO A 38 33.907 33.383 15.040 1.00 0.00 C +ATOM 618 HG2 PRO A 38 33.388 34.342 15.081 1.00 0.00 H +ATOM 619 HG3 PRO A 38 34.008 33.059 14.003 1.00 0.00 H +ATOM 620 CD PRO A 38 33.162 32.324 15.811 1.00 0.00 C +ATOM 621 HD2 PRO A 38 32.456 32.794 16.498 1.00 0.00 H +ATOM 622 HD3 PRO A 38 32.649 31.694 15.083 1.00 0.00 H +ATOM 623 N SER A 39 35.658 32.152 18.774 1.00 0.00 N +ATOM 624 H SER A 39 34.718 31.774 18.722 1.00 0.00 H +ATOM 625 CA SER A 39 36.266 32.383 20.065 1.00 0.00 C +ATOM 626 HA SER A 39 36.959 33.215 19.932 1.00 0.00 H +ATOM 627 C SER A 39 37.049 31.257 20.656 1.00 0.00 C +ATOM 628 O SER A 39 36.532 30.169 20.948 1.00 0.00 O +ATOM 629 CB SER A 39 35.236 32.920 21.057 1.00 0.00 C +ATOM 630 HB2 SER A 39 34.410 32.215 21.155 1.00 0.00 H +ATOM 631 HB3 SER A 39 34.859 33.884 20.712 1.00 0.00 H +ATOM 632 OG SER A 39 35.898 33.065 22.327 1.00 0.00 O +ATOM 633 HG SER A 39 35.616 33.918 22.679 1.00 0.00 H +ATOM 634 N LEU A 40 38.306 31.581 20.913 1.00 0.00 N +ATOM 635 H LEU A 40 38.679 32.469 20.614 1.00 0.00 H +ATOM 636 CA LEU A 40 39.160 30.610 21.507 1.00 0.00 C +ATOM 637 HA LEU A 40 39.024 29.688 20.938 1.00 0.00 H +ATOM 638 C LEU A 40 38.685 30.309 22.910 1.00 0.00 C +ATOM 639 O LEU A 40 38.960 29.279 23.522 1.00 0.00 O +ATOM 640 CB LEU A 40 40.647 30.982 21.418 1.00 0.00 C +ATOM 641 HB2 LEU A 40 40.789 31.952 21.897 1.00 0.00 H +ATOM 642 HB3 LEU A 40 40.956 31.059 20.377 1.00 0.00 H +ATOM 643 CG LEU A 40 41.487 29.947 22.142 1.00 0.00 C +ATOM 644 HG LEU A 40 41.184 29.801 23.172 1.00 0.00 H +ATOM 645 CD1 LEU A 40 41.447 28.628 21.386 1.00 0.00 C +ATOM 646 HD11 LEU A 40 41.708 28.785 20.341 1.00 0.00 H +ATOM 647 HD12 LEU A 40 42.170 27.943 21.822 1.00 0.00 H +ATOM 648 HD13 LEU A 40 40.467 28.167 21.451 1.00 0.00 H +ATOM 649 CD2 LEU A 40 42.907 30.451 22.271 1.00 0.00 C +ATOM 650 HD21 LEU A 40 43.517 29.712 22.785 1.00 0.00 H +ATOM 651 HD22 LEU A 40 43.325 30.630 21.279 1.00 0.00 H +ATOM 652 HD23 LEU A 40 42.920 31.383 22.837 1.00 0.00 H +ATOM 653 N ASN A 41 37.941 31.227 23.459 1.00 0.00 N +ATOM 654 H ASN A 41 37.664 32.055 22.952 1.00 0.00 H +ATOM 655 CA ASN A 41 37.459 30.952 24.792 1.00 0.00 C +ATOM 656 HA ASN A 41 38.230 30.425 25.357 1.00 0.00 H +ATOM 657 C ASN A 41 36.267 30.047 24.772 1.00 0.00 C +ATOM 658 O ASN A 41 36.145 29.189 25.623 1.00 0.00 O +ATOM 659 CB ASN A 41 37.213 32.214 25.617 1.00 0.00 C +ATOM 660 HB2 ASN A 41 36.991 31.931 26.646 1.00 0.00 H +ATOM 661 HB3 ASN A 41 36.354 32.755 25.223 1.00 0.00 H +ATOM 662 CG ASN A 41 38.424 33.116 25.635 1.00 0.00 C +ATOM 663 ND2 ASN A 41 38.397 34.140 24.783 1.00 0.00 N +ATOM 664 HD21 ASN A 41 39.178 34.774 24.832 1.00 0.00 H +ATOM 665 HD22 ASN A 41 37.591 34.327 24.224 1.00 0.00 H +ATOM 666 OD1 ASN A 41 39.371 32.893 26.415 1.00 0.00 O +ATOM 667 N ALA A 42 35.381 30.254 23.789 1.00 0.00 N +ATOM 668 H ALA A 42 35.547 30.961 23.086 1.00 0.00 H +ATOM 669 CA ALA A 42 34.251 29.364 23.692 1.00 0.00 C +ATOM 670 HA ALA A 42 33.722 29.362 24.648 1.00 0.00 H +ATOM 671 C ALA A 42 34.809 27.944 23.486 1.00 0.00 C +ATOM 672 O ALA A 42 34.354 26.993 24.106 1.00 0.00 O +ATOM 673 CB ALA A 42 33.267 29.799 22.625 1.00 0.00 C +ATOM 674 HB1 ALA A 42 32.892 30.801 22.838 1.00 0.00 H +ATOM 675 HB2 ALA A 42 32.430 29.098 22.608 1.00 0.00 H +ATOM 676 HB3 ALA A 42 33.759 29.784 21.652 1.00 0.00 H +ATOM 677 N ALA A 43 35.885 27.843 22.679 1.00 0.00 N +ATOM 678 H ALA A 43 36.188 28.660 22.160 1.00 0.00 H +ATOM 679 CA ALA A 43 36.550 26.572 22.425 1.00 0.00 C +ATOM 680 HA ALA A 43 35.820 25.840 22.074 1.00 0.00 H +ATOM 681 C ALA A 43 37.162 26.051 23.687 1.00 0.00 C +ATOM 682 O ALA A 43 37.089 24.846 23.988 1.00 0.00 O +ATOM 683 CB ALA A 43 37.676 26.701 21.398 1.00 0.00 C +ATOM 684 HB1 ALA A 43 38.438 27.385 21.759 1.00 0.00 H +ATOM 685 HB2 ALA A 43 37.265 27.092 20.469 1.00 0.00 H +ATOM 686 HB3 ALA A 43 38.118 25.722 21.216 1.00 0.00 H +ATOM 687 N LYS A 44 37.782 26.924 24.440 1.00 0.00 N +ATOM 688 H LYS A 44 37.900 27.884 24.138 1.00 0.00 H +ATOM 689 CA LYS A 44 38.361 26.453 25.685 1.00 0.00 C +ATOM 690 HA LYS A 44 38.958 25.565 25.471 1.00 0.00 H +ATOM 691 C LYS A 44 37.291 25.931 26.656 1.00 0.00 C +ATOM 692 O LYS A 44 37.471 24.939 27.350 1.00 0.00 O +ATOM 693 CB LYS A 44 39.283 27.458 26.348 1.00 0.00 C +ATOM 694 HB2 LYS A 44 39.220 27.331 27.431 1.00 0.00 H +ATOM 695 HB3 LYS A 44 38.933 28.465 26.126 1.00 0.00 H +ATOM 696 CG LYS A 44 40.757 27.326 25.966 1.00 0.00 C +ATOM 697 HG2 LYS A 44 41.149 26.396 26.381 1.00 0.00 H +ATOM 698 HG3 LYS A 44 40.824 27.272 24.879 1.00 0.00 H +ATOM 699 CD LYS A 44 41.630 28.498 26.431 1.00 0.00 C +ATOM 700 HD2 LYS A 44 41.219 29.428 26.031 1.00 0.00 H +ATOM 701 HD3 LYS A 44 41.550 28.546 27.519 1.00 0.00 H +ATOM 702 CE LYS A 44 43.094 28.399 26.031 1.00 0.00 C +ATOM 703 HE2 LYS A 44 43.283 27.345 25.809 1.00 0.00 H +ATOM 704 HE3 LYS A 44 43.254 28.967 25.109 1.00 0.00 H +ATOM 705 NZ LYS A 44 44.026 28.825 27.093 1.00 0.00 N +ATOM 706 HZ1 LYS A 44 44.224 29.816 27.031 1.00 0.00 H +ATOM 707 HZ2 LYS A 44 44.890 28.302 27.093 1.00 0.00 H +ATOM 708 HZ3 LYS A 44 43.628 28.672 28.017 1.00 0.00 H +ATOM 709 N SER A 45 36.163 26.603 26.693 1.00 0.00 N +ATOM 710 H SER A 45 36.074 27.433 26.122 1.00 0.00 H +ATOM 711 CA SER A 45 35.063 26.203 27.552 1.00 0.00 C +ATOM 712 HA SER A 45 35.433 26.156 28.578 1.00 0.00 H +ATOM 713 C SER A 45 34.475 24.822 27.226 1.00 0.00 C +ATOM 714 O SER A 45 34.172 24.035 28.100 1.00 0.00 O +ATOM 715 CB SER A 45 33.998 27.276 27.444 1.00 0.00 C +ATOM 716 HB2 SER A 45 33.163 26.933 26.830 1.00 0.00 H +ATOM 717 HB3 SER A 45 34.401 28.185 27.001 1.00 0.00 H +ATOM 718 OG SER A 45 33.557 27.589 28.714 1.00 0.00 O +ATOM 719 HG SER A 45 34.310 27.858 29.244 1.00 0.00 H +ATOM 720 N GLU A 46 34.278 24.584 25.943 1.00 0.00 N +ATOM 721 H GLU A 46 34.470 25.327 25.278 1.00 0.00 H +ATOM 722 CA GLU A 46 33.755 23.327 25.434 1.00 0.00 C +ATOM 723 HA GLU A 46 32.801 23.084 25.898 1.00 0.00 H +ATOM 724 C GLU A 46 34.737 22.223 25.746 1.00 0.00 C +ATOM 725 O GLU A 46 34.355 21.116 26.142 1.00 0.00 O +ATOM 726 CB GLU A 46 33.604 23.393 23.907 1.00 0.00 C +ATOM 727 HB2 GLU A 46 33.469 22.387 23.506 1.00 0.00 H +ATOM 728 HB3 GLU A 46 34.517 23.801 23.471 1.00 0.00 H +ATOM 729 CG GLU A 46 32.424 24.272 23.476 1.00 0.00 C +ATOM 730 HG2 GLU A 46 32.469 24.410 22.395 1.00 0.00 H +ATOM 731 HG3 GLU A 46 32.516 25.256 23.937 1.00 0.00 H +ATOM 732 CD GLU A 46 31.092 23.657 23.840 1.00 0.00 C +ATOM 733 OE1 GLU A 46 30.867 22.464 23.729 1.00 0.00 O +ATOM 734 OE2 GLU A 46 30.224 24.520 24.274 1.00 0.00 O +ATOM 735 N LEU A 47 36.018 22.529 25.574 1.00 0.00 N +ATOM 736 H LEU A 47 36.283 23.443 25.224 1.00 0.00 H +ATOM 737 CA LEU A 47 37.036 21.550 25.864 1.00 0.00 C +ATOM 738 HA LEU A 47 36.812 20.694 25.229 1.00 0.00 H +ATOM 739 C LEU A 47 36.981 21.055 27.318 1.00 0.00 C +ATOM 740 O LEU A 47 37.055 19.863 27.615 1.00 0.00 O +ATOM 741 CB LEU A 47 38.451 22.068 25.538 1.00 0.00 C +ATOM 742 HB2 LEU A 47 38.677 22.934 26.160 1.00 0.00 H +ATOM 743 HB3 LEU A 47 38.481 22.376 24.493 1.00 0.00 H +ATOM 744 CG LEU A 47 39.517 20.991 25.786 1.00 0.00 C +ATOM 745 HG LEU A 47 39.565 20.751 26.847 1.00 0.00 H +ATOM 746 CD1 LEU A 47 39.161 19.712 25.014 1.00 0.00 C +ATOM 747 HD11 LEU A 47 40.001 19.021 25.046 1.00 0.00 H +ATOM 748 HD12 LEU A 47 38.303 19.205 25.449 1.00 0.00 H +ATOM 749 HD13 LEU A 47 38.951 19.982 23.988 1.00 0.00 H +ATOM 750 CD2 LEU A 47 40.906 21.484 25.371 1.00 0.00 C +ATOM 751 HD21 LEU A 47 41.165 22.332 26.000 1.00 0.00 H +ATOM 752 HD22 LEU A 47 40.879 21.799 24.332 1.00 0.00 H +ATOM 753 HD23 LEU A 47 41.643 20.701 25.522 1.00 0.00 H +ATOM 754 N ASP A 48 36.861 21.973 28.258 1.00 0.00 N +ATOM 755 H ASP A 48 36.872 22.956 28.001 1.00 0.00 H +ATOM 756 CA ASP A 48 36.819 21.608 29.667 1.00 0.00 C +ATOM 757 HA ASP A 48 37.677 20.967 29.877 1.00 0.00 H +ATOM 758 C ASP A 48 35.600 20.821 30.014 1.00 0.00 C +ATOM 759 O ASP A 48 35.657 19.924 30.858 1.00 0.00 O +ATOM 760 CB ASP A 48 36.926 22.822 30.591 1.00 0.00 C +ATOM 761 HB2 ASP A 48 36.124 23.516 30.329 1.00 0.00 H +ATOM 762 HB3 ASP A 48 36.753 22.505 31.620 1.00 0.00 H +ATOM 763 CG ASP A 48 38.251 23.546 30.538 1.00 0.00 C +ATOM 764 OD1 ASP A 48 39.359 23.052 30.230 1.00 0.00 O +ATOM 765 OD2 ASP A 48 38.097 24.782 30.905 1.00 0.00 O +ATOM 766 N LYS A 49 34.517 21.222 29.376 1.00 0.00 N +ATOM 767 H LYS A 49 34.596 22.029 28.763 1.00 0.00 H +ATOM 768 CA LYS A 49 33.249 20.552 29.520 1.00 0.00 C +ATOM 769 HA LYS A 49 32.976 20.482 30.574 1.00 0.00 H +ATOM 770 C LYS A 49 33.356 19.110 28.969 1.00 0.00 C +ATOM 771 O LYS A 49 32.906 18.166 29.573 1.00 0.00 O +ATOM 772 CB LYS A 49 32.220 21.367 28.758 1.00 0.00 C +ATOM 773 HB2 LYS A 49 32.053 22.285 29.325 1.00 0.00 H +ATOM 774 HB3 LYS A 49 32.602 21.653 27.782 1.00 0.00 H +ATOM 775 CG LYS A 49 30.913 20.647 28.555 1.00 0.00 C +ATOM 776 HG2 LYS A 49 30.700 20.061 29.451 1.00 0.00 H +ATOM 777 HG3 LYS A 49 30.985 19.963 27.708 1.00 0.00 H +ATOM 778 CD LYS A 49 29.749 21.599 28.365 1.00 0.00 C +ATOM 779 HD2 LYS A 49 29.783 22.354 29.153 1.00 0.00 H +ATOM 780 HD3 LYS A 49 28.816 21.049 28.497 1.00 0.00 H +ATOM 781 CE LYS A 49 29.717 22.317 27.017 1.00 0.00 C +ATOM 782 HE2 LYS A 49 29.001 23.143 27.089 1.00 0.00 H +ATOM 783 HE3 LYS A 49 30.705 22.744 26.813 1.00 0.00 H +ATOM 784 NZ LYS A 49 29.282 21.456 25.920 1.00 0.00 N +ATOM 785 HZ1 LYS A 49 28.285 21.323 25.895 1.00 0.00 H +ATOM 786 HZ2 LYS A 49 29.574 21.913 25.040 1.00 0.00 H +ATOM 787 HZ3 LYS A 49 29.779 20.578 25.920 1.00 0.00 H +ATOM 788 N ALA A 50 34.021 18.934 27.842 1.00 0.00 N +ATOM 789 H ALA A 50 34.389 19.739 27.346 1.00 0.00 H +ATOM 790 CA ALA A 50 34.185 17.611 27.280 1.00 0.00 C +ATOM 791 HA ALA A 50 33.203 17.136 27.275 1.00 0.00 H +ATOM 792 C ALA A 50 35.084 16.672 28.119 1.00 0.00 C +ATOM 793 O ALA A 50 34.792 15.495 28.269 1.00 0.00 O +ATOM 794 CB ALA A 50 34.617 17.695 25.816 1.00 0.00 C +ATOM 795 HB1 ALA A 50 34.645 16.695 25.382 1.00 0.00 H +ATOM 796 HB2 ALA A 50 35.609 18.144 25.747 1.00 0.00 H +ATOM 797 HB3 ALA A 50 33.911 18.307 25.252 1.00 0.00 H +ATOM 798 N ILE A 51 36.187 17.188 28.678 1.00 0.00 N +ATOM 799 H ILE A 51 36.399 18.160 28.472 1.00 0.00 H +ATOM 800 CA ILE A 51 37.166 16.428 29.480 1.00 0.00 C +ATOM 801 HA ILE A 51 37.227 15.404 29.115 1.00 0.00 H +ATOM 802 C ILE A 51 36.823 16.297 30.961 1.00 0.00 C +ATOM 803 O ILE A 51 37.251 15.383 31.677 1.00 0.00 O +ATOM 804 CB ILE A 51 38.524 17.125 29.371 1.00 0.00 C +ATOM 805 HB ILE A 51 38.437 18.138 29.770 1.00 0.00 H +ATOM 806 CG1 ILE A 51 38.894 17.231 27.907 1.00 0.00 C +ATOM 807 HG12 ILE A 51 38.291 17.948 27.378 1.00 0.00 H +ATOM 808 HG13 ILE A 51 39.930 17.559 27.824 1.00 0.00 H +ATOM 809 CG2 ILE A 51 39.657 16.415 30.144 1.00 0.00 C +ATOM 810 HG21 ILE A 51 40.607 16.917 29.963 1.00 0.00 H +ATOM 811 HG22 ILE A 51 39.749 15.372 29.843 1.00 0.00 H +ATOM 812 HG23 ILE A 51 39.468 16.434 31.214 1.00 0.00 H +ATOM 813 CD1 ILE A 51 38.734 15.901 27.193 1.00 0.00 C +ATOM 814 HD11 ILE A 51 39.287 15.951 26.257 1.00 0.00 H +ATOM 815 HD12 ILE A 51 39.145 15.070 27.763 1.00 0.00 H +ATOM 816 HD13 ILE A 51 37.692 15.702 26.949 1.00 0.00 H +ATOM 817 N GLY A 52 36.112 17.276 31.452 1.00 0.00 N +ATOM 818 H GLY A 52 35.789 18.046 30.876 1.00 0.00 H +ATOM 819 CA GLY A 52 35.726 17.183 32.843 1.00 0.00 C +ATOM 820 HA2 GLY A 52 34.821 17.773 32.987 1.00 0.00 H +ATOM 821 HA3 GLY A 52 35.518 16.154 33.141 1.00 0.00 H +ATOM 822 C GLY A 52 36.804 17.762 33.737 1.00 0.00 C +ATOM 823 O GLY A 52 36.950 17.412 34.897 1.00 0.00 O +ATOM 824 N ARG A 53 37.572 18.696 33.205 1.00 0.00 N +ATOM 825 H ARG A 53 37.370 19.055 32.276 1.00 0.00 H +ATOM 826 CA ARG A 53 38.575 19.327 34.025 1.00 0.00 C +ATOM 827 HA ARG A 53 38.107 19.603 34.972 1.00 0.00 H +ATOM 828 C ARG A 53 39.012 20.601 33.366 1.00 0.00 C +ATOM 829 O ARG A 53 38.645 20.860 32.224 1.00 0.00 O +ATOM 830 CB ARG A 53 39.757 18.413 34.330 1.00 0.00 C +ATOM 831 HB2 ARG A 53 40.256 18.772 35.231 1.00 0.00 H +ATOM 832 HB3 ARG A 53 39.405 17.403 34.544 1.00 0.00 H +ATOM 833 CG ARG A 53 40.768 18.362 33.222 1.00 0.00 C +ATOM 834 HG2 ARG A 53 40.247 18.251 32.272 1.00 0.00 H +ATOM 835 HG3 ARG A 53 41.259 19.323 33.230 1.00 0.00 H +ATOM 836 CD ARG A 53 41.697 17.184 33.392 1.00 0.00 C +ATOM 837 HD2 ARG A 53 41.098 16.272 33.464 1.00 0.00 H +ATOM 838 HD3 ARG A 53 42.263 17.290 34.320 1.00 0.00 H +ATOM 839 NE ARG A 53 42.597 17.029 32.286 1.00 0.00 N +ATOM 840 HE ARG A 53 42.575 16.147 31.760 1.00 0.00 H +ATOM 841 CZ ARG A 53 43.419 17.972 31.899 1.00 0.00 C +ATOM 842 NH1 ARG A 53 43.470 19.140 32.518 1.00 0.00 N +ATOM 843 HH11 ARG A 53 42.895 19.319 33.317 1.00 0.00 H +ATOM 844 HH12 ARG A 53 44.159 19.817 32.250 1.00 0.00 H +ATOM 845 NH2 ARG A 53 44.233 17.726 30.875 1.00 0.00 N +ATOM 846 HH21 ARG A 53 44.763 18.460 30.437 1.00 0.00 H +ATOM 847 HH22 ARG A 53 44.056 16.868 30.342 1.00 0.00 H +ATOM 848 N ASN A 54 39.775 21.390 34.113 1.00 0.00 N +ATOM 849 H ASN A 54 39.975 21.112 35.058 1.00 0.00 H +ATOM 850 CA ASN A 54 40.307 22.645 33.635 1.00 0.00 C +ATOM 851 HA ASN A 54 39.573 23.118 32.974 1.00 0.00 H +ATOM 852 C ASN A 54 41.545 22.324 32.816 1.00 0.00 C +ATOM 853 O ASN A 54 42.573 21.935 33.353 1.00 0.00 O +ATOM 854 CB ASN A 54 40.599 23.577 34.821 1.00 0.00 C +ATOM 855 HB2 ASN A 54 41.658 23.828 34.872 1.00 0.00 H +ATOM 856 HB3 ASN A 54 40.318 23.111 35.765 1.00 0.00 H +ATOM 857 CG ASN A 54 39.794 24.842 34.684 1.00 0.00 C +ATOM 858 ND2 ASN A 54 40.385 25.824 33.982 1.00 0.00 N +ATOM 859 HD21 ASN A 54 41.288 25.702 33.574 1.00 0.00 H +ATOM 860 HD22 ASN A 54 39.788 26.598 33.741 1.00 0.00 H +ATOM 861 OD1 ASN A 54 38.635 24.910 35.129 1.00 0.00 O +ATOM 862 N THR A 55 41.458 22.410 31.496 1.00 0.00 N +ATOM 863 H THR A 55 40.563 22.555 31.074 1.00 0.00 H +ATOM 864 CA THR A 55 42.603 21.947 30.723 1.00 0.00 C +ATOM 865 HA THR A 55 43.233 21.271 31.283 1.00 0.00 H +ATOM 866 C THR A 55 43.513 23.006 30.188 1.00 0.00 C +ATOM 867 O THR A 55 44.547 22.670 29.631 1.00 0.00 O +ATOM 868 CB THR A 55 42.138 21.173 29.497 1.00 0.00 C +ATOM 869 HB THR A 55 42.980 20.771 28.948 1.00 0.00 H +ATOM 870 CG2 THR A 55 41.219 20.020 29.908 1.00 0.00 C +ATOM 871 HG21 THR A 55 40.567 19.778 29.068 1.00 0.00 H +ATOM 872 HG22 THR A 55 40.581 20.244 30.755 1.00 0.00 H +ATOM 873 HG23 THR A 55 41.818 19.141 30.123 1.00 0.00 H +ATOM 874 OG1 THR A 55 41.480 22.098 28.677 1.00 0.00 O +ATOM 875 HG1 THR A 55 40.649 22.363 29.139 1.00 0.00 H +ATOM 876 N ASN A 56 43.121 24.268 30.259 1.00 0.00 N +ATOM 877 H ASN A 56 42.206 24.488 30.631 1.00 0.00 H +ATOM 878 CA ASN A 56 43.967 25.280 29.665 1.00 0.00 C +ATOM 879 HA ASN A 56 43.345 26.175 29.678 1.00 0.00 H +ATOM 880 C ASN A 56 44.281 25.044 28.171 1.00 0.00 C +ATOM 881 O ASN A 56 45.285 25.528 27.671 1.00 0.00 O +ATOM 882 CB ASN A 56 45.231 25.605 30.501 1.00 0.00 C +ATOM 883 HB2 ASN A 56 46.015 24.885 30.265 1.00 0.00 H +ATOM 884 HB3 ASN A 56 44.997 25.512 31.561 1.00 0.00 H +ATOM 885 CG ASN A 56 45.745 27.027 30.277 1.00 0.00 C +ATOM 886 ND2 ASN A 56 47.051 27.208 30.471 1.00 0.00 N +ATOM 887 HD21 ASN A 56 47.622 26.448 30.798 1.00 0.00 H +ATOM 888 HD22 ASN A 56 47.407 28.147 30.427 1.00 0.00 H +ATOM 889 OD1 ASN A 56 44.994 27.949 29.910 1.00 0.00 O +ATOM 890 N GLY A 57 43.422 24.320 27.445 1.00 0.00 N +ATOM 891 H GLY A 57 42.646 23.847 27.904 1.00 0.00 H +ATOM 892 CA GLY A 57 43.640 24.118 26.006 1.00 0.00 C +ATOM 893 HA2 GLY A 57 42.674 23.918 25.544 1.00 0.00 H +ATOM 894 HA3 GLY A 57 44.031 25.029 25.559 1.00 0.00 H +ATOM 895 C GLY A 57 44.567 22.973 25.623 1.00 0.00 C +ATOM 896 O GLY A 57 44.943 22.790 24.462 1.00 0.00 O +ATOM 897 N VAL A 58 44.913 22.179 26.604 1.00 0.00 N +ATOM 898 H VAL A 58 44.579 22.326 27.552 1.00 0.00 H +ATOM 899 CA VAL A 58 45.782 21.053 26.337 1.00 0.00 C +ATOM 900 HA VAL A 58 45.882 20.847 25.272 1.00 0.00 H +ATOM 901 C VAL A 58 45.317 19.754 27.016 1.00 0.00 C +ATOM 902 O VAL A 58 44.950 19.795 28.179 1.00 0.00 O +ATOM 903 CB VAL A 58 47.107 21.435 26.889 1.00 0.00 C +ATOM 904 HB VAL A 58 47.044 21.586 27.968 1.00 0.00 H +ATOM 905 CG1 VAL A 58 48.133 20.335 26.617 1.00 0.00 C +ATOM 906 HG11 VAL A 58 48.144 20.074 25.558 1.00 0.00 H +ATOM 907 HG12 VAL A 58 49.126 20.680 26.903 1.00 0.00 H +ATOM 908 HG13 VAL A 58 47.916 19.444 27.207 1.00 0.00 H +ATOM 909 CG2 VAL A 58 47.516 22.756 26.247 1.00 0.00 C +ATOM 910 HG21 VAL A 58 46.964 23.596 26.664 1.00 0.00 H +ATOM 911 HG22 VAL A 58 47.415 22.687 25.166 1.00 0.00 H +ATOM 912 HG23 VAL A 58 48.566 22.935 26.479 1.00 0.00 H +ATOM 913 N ILE A 59 45.378 18.623 26.314 1.00 0.00 N +ATOM 914 H ILE A 59 45.797 18.630 25.391 1.00 0.00 H +ATOM 915 CA ILE A 59 44.929 17.345 26.879 1.00 0.00 C +ATOM 916 HA ILE A 59 44.715 17.430 27.943 1.00 0.00 H +ATOM 917 C ILE A 59 46.022 16.310 26.697 1.00 0.00 C +ATOM 918 O ILE A 59 47.003 16.531 25.975 1.00 0.00 O +ATOM 919 CB ILE A 59 43.665 16.858 26.159 1.00 0.00 C +ATOM 920 HB ILE A 59 43.344 15.913 26.585 1.00 0.00 H +ATOM 921 CG1 ILE A 59 43.971 16.657 24.676 1.00 0.00 C +ATOM 922 HG12 ILE A 59 44.862 16.051 24.538 1.00 0.00 H +ATOM 923 HG13 ILE A 59 44.140 17.614 24.182 1.00 0.00 H +ATOM 924 CG2 ILE A 59 42.521 17.874 26.309 1.00 0.00 C +ATOM 925 HG21 ILE A 59 42.720 18.776 25.737 1.00 0.00 H +ATOM 926 HG22 ILE A 59 42.409 18.133 27.363 1.00 0.00 H +ATOM 927 HG23 ILE A 59 41.589 17.424 25.972 1.00 0.00 H +ATOM 928 CD1 ILE A 59 42.859 15.900 23.936 1.00 0.00 C +ATOM 929 HD11 ILE A 59 43.180 15.699 22.914 1.00 0.00 H +ATOM 930 HD12 ILE A 59 41.944 16.491 23.905 1.00 0.00 H +ATOM 931 HD13 ILE A 59 42.659 14.960 24.445 1.00 0.00 H +ATOM 932 N THR A 60 45.879 15.176 27.340 1.00 0.00 N +ATOM 933 H THR A 60 45.036 15.030 27.891 1.00 0.00 H +ATOM 934 CA THR A 60 46.854 14.133 27.174 1.00 0.00 C +ATOM 935 HA THR A 60 47.849 14.519 26.956 1.00 0.00 H +ATOM 936 C THR A 60 46.371 13.210 26.062 1.00 0.00 C +ATOM 937 O THR A 60 45.215 13.244 25.690 1.00 0.00 O +ATOM 938 CB THR A 60 46.889 13.283 28.452 1.00 0.00 C +ATOM 939 HB THR A 60 47.700 12.556 28.389 1.00 0.00 H +ATOM 940 CG2 THR A 60 47.054 14.138 29.685 1.00 0.00 C +ATOM 941 HG21 THR A 60 47.920 14.790 29.568 1.00 0.00 H +ATOM 942 HG22 THR A 60 47.221 13.486 30.543 1.00 0.00 H +ATOM 943 HG23 THR A 60 46.166 14.742 29.878 1.00 0.00 H +ATOM 944 OG1 THR A 60 45.657 12.617 28.518 1.00 0.00 O +ATOM 945 HG1 THR A 60 45.039 13.197 28.972 1.00 0.00 H +ATOM 946 N LYS A 61 47.268 12.336 25.616 1.00 0.00 N +ATOM 947 H LYS A 61 48.189 12.360 26.023 1.00 0.00 H +ATOM 948 CA LYS A 61 46.997 11.329 24.613 1.00 0.00 C +ATOM 949 HA LYS A 61 46.730 11.806 23.673 1.00 0.00 H +ATOM 950 C LYS A 61 45.808 10.442 24.982 1.00 0.00 C +ATOM 951 O LYS A 61 44.963 10.148 24.146 1.00 0.00 O +ATOM 952 CB LYS A 61 48.250 10.465 24.416 1.00 0.00 C +ATOM 953 HB2 LYS A 61 48.473 9.930 25.342 1.00 0.00 H +ATOM 954 HB3 LYS A 61 49.087 11.138 24.221 1.00 0.00 H +ATOM 955 CG LYS A 61 48.158 9.440 23.270 1.00 0.00 C +ATOM 956 HG2 LYS A 61 47.238 9.589 22.703 1.00 0.00 H +ATOM 957 HG3 LYS A 61 48.119 8.440 23.706 1.00 0.00 H +ATOM 958 CD LYS A 61 49.323 9.516 22.301 1.00 0.00 C +ATOM 959 HD2 LYS A 61 49.212 10.423 21.717 1.00 0.00 H +ATOM 960 HD3 LYS A 61 50.247 9.597 22.876 1.00 0.00 H +ATOM 961 CE LYS A 61 49.466 8.302 21.372 1.00 0.00 C +ATOM 962 HE2 LYS A 61 49.840 7.459 21.962 1.00 0.00 H +ATOM 963 HE3 LYS A 61 48.454 8.017 21.050 1.00 0.00 H +ATOM 964 NZ LYS A 61 50.318 8.537 20.191 1.00 0.00 N +ATOM 965 HZ1 LYS A 61 49.944 9.308 19.660 1.00 0.00 H +ATOM 966 HZ2 LYS A 61 51.262 8.747 20.488 1.00 0.00 H +ATOM 967 HZ3 LYS A 61 50.330 7.698 19.626 1.00 0.00 H +ATOM 968 N ASP A 62 45.757 9.997 26.252 1.00 0.00 N +ATOM 969 H ASP A 62 46.530 10.145 26.876 1.00 0.00 H +ATOM 970 CA ASP A 62 44.645 9.157 26.706 1.00 0.00 C +ATOM 971 HA ASP A 62 44.619 8.245 26.103 1.00 0.00 H +ATOM 972 C ASP A 62 43.295 9.857 26.540 1.00 0.00 C +ATOM 973 O ASP A 62 42.304 9.250 26.128 1.00 0.00 O +ATOM 974 CB ASP A 62 44.812 8.758 28.186 1.00 0.00 C +ATOM 975 HB2 ASP A 62 44.920 9.665 28.783 1.00 0.00 H +ATOM 976 HB3 ASP A 62 43.894 8.265 28.510 1.00 0.00 H +ATOM 977 CG ASP A 62 45.950 7.832 28.509 1.00 0.00 C +ATOM 978 OD1 ASP A 62 46.514 7.293 27.457 1.00 0.00 O +ATOM 979 OD2 ASP A 62 46.322 7.621 29.650 1.00 0.00 O +ATOM 980 N GLU A 63 43.290 11.151 26.933 1.00 0.00 N +ATOM 981 H GLU A 63 44.159 11.551 27.270 1.00 0.00 H +ATOM 982 CA GLU A 63 42.108 12.003 26.835 1.00 0.00 C +ATOM 983 HA GLU A 63 41.275 11.559 27.381 1.00 0.00 H +ATOM 984 C GLU A 63 41.696 12.122 25.392 1.00 0.00 C +ATOM 985 O GLU A 63 40.546 12.045 25.046 1.00 0.00 O +ATOM 986 CB GLU A 63 42.424 13.367 27.387 1.00 0.00 C +ATOM 987 HB2 GLU A 63 41.668 14.081 27.055 1.00 0.00 H +ATOM 988 HB3 GLU A 63 43.391 13.708 27.055 1.00 0.00 H +ATOM 989 CG GLU A 63 42.394 13.311 28.914 1.00 0.00 C +ATOM 990 HG2 GLU A 63 41.376 13.068 29.229 1.00 0.00 H +ATOM 991 HG3 GLU A 63 43.052 12.513 29.262 1.00 0.00 H +ATOM 992 CD GLU A 63 42.842 14.606 29.568 1.00 0.00 C +ATOM 993 OE1 GLU A 63 43.549 15.434 29.026 1.00 0.00 O +ATOM 994 OE2 GLU A 63 42.429 14.715 30.798 1.00 0.00 O +ATOM 995 N ALA A 64 42.722 12.253 24.535 1.00 0.00 N +ATOM 996 H ALA A 64 43.670 12.305 24.893 1.00 0.00 H +ATOM 997 CA ALA A 64 42.472 12.330 23.116 1.00 0.00 C +ATOM 998 HA ALA A 64 41.794 13.163 22.927 1.00 0.00 H +ATOM 999 C ALA A 64 41.800 11.058 22.596 1.00 0.00 C +ATOM 1000 O ALA A 64 40.819 11.101 21.825 1.00 0.00 O +ATOM 1001 CB ALA A 64 43.777 12.593 22.398 1.00 0.00 C +ATOM 1002 HB1 ALA A 64 43.563 12.847 21.360 1.00 0.00 H +ATOM 1003 HB2 ALA A 64 44.419 11.717 22.403 1.00 0.00 H +ATOM 1004 HB3 ALA A 64 44.299 13.428 22.866 1.00 0.00 H +ATOM 1005 N GLU A 65 42.357 9.916 23.032 1.00 0.00 N +ATOM 1006 H GLU A 65 43.189 9.940 23.620 1.00 0.00 H +ATOM 1007 CA GLU A 65 41.816 8.649 22.623 1.00 0.00 C +ATOM 1008 HA GLU A 65 41.710 8.666 21.537 1.00 0.00 H +ATOM 1009 C GLU A 65 40.449 8.412 23.123 1.00 0.00 C +ATOM 1010 O GLU A 65 39.634 7.772 22.449 1.00 0.00 O +ATOM 1011 CB GLU A 65 42.756 7.515 22.965 1.00 0.00 C +ATOM 1012 HB2 GLU A 65 42.237 6.556 22.929 1.00 0.00 H +ATOM 1013 HB3 GLU A 65 43.173 7.673 23.961 1.00 0.00 H +ATOM 1014 CG GLU A 65 43.843 7.541 21.887 1.00 0.00 C +ATOM 1015 HG2 GLU A 65 44.098 8.575 21.637 1.00 0.00 H +ATOM 1016 HG3 GLU A 65 43.437 7.084 20.980 1.00 0.00 H +ATOM 1017 CD GLU A 65 45.125 6.857 22.263 1.00 0.00 C +ATOM 1018 OE1 GLU A 65 45.287 6.316 23.332 1.00 0.00 O +ATOM 1019 OE2 GLU A 65 46.009 6.905 21.307 1.00 0.00 O +ATOM 1020 N LYS A 66 40.230 8.925 24.310 1.00 0.00 N +ATOM 1021 H LYS A 66 40.994 9.341 24.842 1.00 0.00 H +ATOM 1022 CA LYS A 66 38.906 8.767 24.863 1.00 0.00 C +ATOM 1023 HA LYS A 66 38.648 7.711 24.789 1.00 0.00 H +ATOM 1024 C LYS A 66 37.874 9.503 24.035 1.00 0.00 C +ATOM 1025 O LYS A 66 36.835 8.941 23.666 1.00 0.00 O +ATOM 1026 CB LYS A 66 38.840 9.153 26.296 1.00 0.00 C +ATOM 1027 HB2 LYS A 66 39.612 8.608 26.843 1.00 0.00 H +ATOM 1028 HB3 LYS A 66 39.010 10.225 26.416 1.00 0.00 H +ATOM 1029 CG LYS A 66 37.478 8.774 26.841 1.00 0.00 C +ATOM 1030 HG2 LYS A 66 36.726 9.441 26.417 1.00 0.00 H +ATOM 1031 HG3 LYS A 66 37.236 7.751 26.546 1.00 0.00 H +ATOM 1032 CD LYS A 66 37.386 8.862 28.327 1.00 0.00 C +ATOM 1033 HD2 LYS A 66 37.677 9.863 28.654 1.00 0.00 H +ATOM 1034 HD3 LYS A 66 38.068 8.128 28.761 1.00 0.00 H +ATOM 1035 CE LYS A 66 35.950 8.577 28.767 1.00 0.00 C +ATOM 1036 HE2 LYS A 66 35.313 9.424 28.481 1.00 0.00 H +ATOM 1037 HE3 LYS A 66 35.588 7.700 28.220 1.00 0.00 H +ATOM 1038 NZ LYS A 66 35.883 8.324 30.208 1.00 0.00 N +ATOM 1039 HZ1 LYS A 66 36.136 9.165 30.713 1.00 0.00 H +ATOM 1040 HZ2 LYS A 66 34.939 8.071 30.471 1.00 0.00 H +ATOM 1041 HZ3 LYS A 66 36.512 7.579 30.475 1.00 0.00 H +ATOM 1042 N LEU A 67 38.183 10.776 23.687 1.00 0.00 N +ATOM 1043 H LEU A 67 39.056 11.183 24.011 1.00 0.00 H +ATOM 1044 CA LEU A 67 37.285 11.549 22.842 1.00 0.00 C +ATOM 1045 HA LEU A 67 36.312 11.616 23.329 1.00 0.00 H +ATOM 1046 C LEU A 67 37.046 10.806 21.525 1.00 0.00 C +ATOM 1047 O LEU A 67 35.921 10.670 21.057 1.00 0.00 O +ATOM 1048 CB LEU A 67 37.779 12.999 22.499 1.00 0.00 C +ATOM 1049 HB2 LEU A 67 37.107 13.431 21.754 1.00 0.00 H +ATOM 1050 HB3 LEU A 67 38.768 12.924 22.046 1.00 0.00 H +ATOM 1051 CG LEU A 67 37.863 13.950 23.689 1.00 0.00 C +ATOM 1052 HG LEU A 67 38.478 13.504 24.467 1.00 0.00 H +ATOM 1053 CD1 LEU A 67 38.517 15.274 23.269 1.00 0.00 C +ATOM 1054 HD11 LEU A 67 37.911 15.746 22.494 1.00 0.00 H +ATOM 1055 HD12 LEU A 67 38.591 15.948 24.119 1.00 0.00 H +ATOM 1056 HD13 LEU A 67 39.514 15.079 22.877 1.00 0.00 H +ATOM 1057 CD2 LEU A 67 36.479 14.213 24.266 1.00 0.00 C +ATOM 1058 HD21 LEU A 67 36.548 14.969 25.046 1.00 0.00 H +ATOM 1059 HD22 LEU A 67 35.812 14.577 23.482 1.00 0.00 H +ATOM 1060 HD23 LEU A 67 36.073 13.305 24.707 1.00 0.00 H +ATOM 1061 N PHE A 68 38.148 10.304 20.974 1.00 0.00 N +ATOM 1062 H PHE A 68 39.047 10.498 21.403 1.00 0.00 H +ATOM 1063 CA PHE A 68 38.106 9.567 19.732 1.00 0.00 C +ATOM 1064 HA PHE A 68 37.708 10.245 18.977 1.00 0.00 H +ATOM 1065 C PHE A 68 37.169 8.373 19.809 1.00 0.00 C +ATOM 1066 O PHE A 68 36.345 8.205 18.924 1.00 0.00 O +ATOM 1067 CB PHE A 68 39.516 9.144 19.348 1.00 0.00 C +ATOM 1068 HB2 PHE A 68 40.145 10.033 19.375 1.00 0.00 H +ATOM 1069 HB3 PHE A 68 39.897 8.448 20.090 1.00 0.00 H +ATOM 1070 CG PHE A 68 39.687 8.521 17.982 1.00 0.00 C +ATOM 1071 CD1 PHE A 68 38.952 8.989 16.899 1.00 0.00 C +ATOM 1072 HD1 PHE A 68 38.241 9.793 17.021 1.00 0.00 H +ATOM 1073 CD2 PHE A 68 40.637 7.512 17.788 1.00 0.00 C +ATOM 1074 HD2 PHE A 68 41.227 7.151 18.619 1.00 0.00 H +ATOM 1075 CE1 PHE A 68 39.120 8.467 15.620 1.00 0.00 C +ATOM 1076 HE1 PHE A 68 38.541 8.847 14.789 1.00 0.00 H +ATOM 1077 CE2 PHE A 68 40.846 6.999 16.512 1.00 0.00 C +ATOM 1078 HE2 PHE A 68 41.592 6.235 16.345 1.00 0.00 H +ATOM 1079 CZ PHE A 68 40.066 7.462 15.444 1.00 0.00 C +ATOM 1080 HZ PHE A 68 40.237 7.048 14.465 1.00 0.00 H +ATOM 1081 N ASN A 69 37.296 7.555 20.876 1.00 0.00 N +ATOM 1082 H ASN A 69 38.038 7.726 21.547 1.00 0.00 H +ATOM 1083 CA ASN A 69 36.410 6.396 21.037 1.00 0.00 C +ATOM 1084 HA ASN A 69 36.519 5.729 20.182 1.00 0.00 H +ATOM 1085 C ASN A 69 34.940 6.809 21.075 1.00 0.00 C +ATOM 1086 O ASN A 69 34.054 6.196 20.495 1.00 0.00 O +ATOM 1087 CB ASN A 69 36.756 5.640 22.329 1.00 0.00 C +ATOM 1088 HB2 ASN A 69 35.916 5.004 22.608 1.00 0.00 H +ATOM 1089 HB3 ASN A 69 36.928 6.348 23.138 1.00 0.00 H +ATOM 1090 CG ASN A 69 37.952 4.726 22.174 1.00 0.00 C +ATOM 1091 ND2 ASN A 69 38.848 4.727 23.160 1.00 0.00 N +ATOM 1092 HD21 ASN A 69 39.682 4.192 22.991 1.00 0.00 H +ATOM 1093 HD22 ASN A 69 38.810 5.424 23.876 1.00 0.00 H +ATOM 1094 OD1 ASN A 69 38.097 4.038 21.176 1.00 0.00 O +ATOM 1095 N GLN A 70 34.691 7.876 21.798 1.00 0.00 N +ATOM 1096 H GLN A 70 35.447 8.388 22.240 1.00 0.00 H +ATOM 1097 CA GLN A 70 33.329 8.359 21.869 1.00 0.00 C +ATOM 1098 HA GLN A 70 32.670 7.562 22.218 1.00 0.00 H +ATOM 1099 C GLN A 70 32.817 8.820 20.517 1.00 0.00 C +ATOM 1100 O GLN A 70 31.678 8.576 20.163 1.00 0.00 O +ATOM 1101 CB GLN A 70 33.245 9.544 22.832 1.00 0.00 C +ATOM 1102 HB2 GLN A 70 33.975 10.293 22.531 1.00 0.00 H +ATOM 1103 HB3 GLN A 70 32.246 9.981 22.770 1.00 0.00 H +ATOM 1104 CG GLN A 70 33.502 9.100 24.269 1.00 0.00 C +ATOM 1105 HG2 GLN A 70 34.432 8.542 24.336 1.00 0.00 H +ATOM 1106 HG3 GLN A 70 32.685 8.455 24.592 1.00 0.00 H +ATOM 1107 CD GLN A 70 33.592 10.287 25.226 1.00 0.00 C +ATOM 1108 NE2 GLN A 70 33.476 11.520 24.721 1.00 0.00 N +ATOM 1109 HE21 GLN A 70 33.351 11.671 23.733 1.00 0.00 H +ATOM 1110 HE22 GLN A 70 33.554 12.291 25.362 1.00 0.00 H +ATOM 1111 OE1 GLN A 70 33.800 10.099 26.422 1.00 0.00 O +ATOM 1112 N ASP A 71 33.657 9.538 19.764 1.00 0.00 N +ATOM 1113 H ASP A 71 34.563 9.816 20.130 1.00 0.00 H +ATOM 1114 CA ASP A 71 33.229 10.056 18.473 1.00 0.00 C +ATOM 1115 HA ASP A 71 32.271 10.555 18.628 1.00 0.00 H +ATOM 1116 C ASP A 71 32.962 9.001 17.424 1.00 0.00 C +ATOM 1117 O ASP A 71 32.086 9.172 16.590 1.00 0.00 O +ATOM 1118 CB ASP A 71 34.173 11.126 17.918 1.00 0.00 C +ATOM 1119 HB2 ASP A 71 33.847 11.406 16.915 1.00 0.00 H +ATOM 1120 HB3 ASP A 71 35.179 10.707 17.860 1.00 0.00 H +ATOM 1121 CG ASP A 71 34.193 12.370 18.775 1.00 0.00 C +ATOM 1122 OD1 ASP A 71 33.326 12.709 19.561 1.00 0.00 O +ATOM 1123 OD2 ASP A 71 35.280 13.049 18.595 1.00 0.00 O +ATOM 1124 N VAL A 72 33.736 7.915 17.452 1.00 0.00 N +ATOM 1125 H VAL A 72 34.497 7.865 18.124 1.00 0.00 H +ATOM 1126 CA VAL A 72 33.519 6.851 16.474 1.00 0.00 C +ATOM 1127 HA VAL A 72 33.417 7.299 15.485 1.00 0.00 H +ATOM 1128 C VAL A 72 32.201 6.191 16.787 1.00 0.00 C +ATOM 1129 O VAL A 72 31.346 6.023 15.931 1.00 0.00 O +ATOM 1130 CB VAL A 72 34.656 5.835 16.407 1.00 0.00 C +ATOM 1131 HB VAL A 72 34.886 5.483 17.414 1.00 0.00 H +ATOM 1132 CG1 VAL A 72 34.233 4.621 15.555 1.00 0.00 C +ATOM 1133 HG11 VAL A 72 35.087 3.954 15.433 1.00 0.00 H +ATOM 1134 HG12 VAL A 72 33.443 4.056 16.050 1.00 0.00 H +ATOM 1135 HG13 VAL A 72 33.892 4.951 14.573 1.00 0.00 H +ATOM 1136 CG2 VAL A 72 35.915 6.446 15.808 1.00 0.00 C +ATOM 1137 HG21 VAL A 72 36.711 5.702 15.779 1.00 0.00 H +ATOM 1138 HG22 VAL A 72 35.717 6.806 14.799 1.00 0.00 H +ATOM 1139 HG23 VAL A 72 36.248 7.282 16.423 1.00 0.00 H +ATOM 1140 N ASP A 73 32.023 5.893 18.066 1.00 0.00 N +ATOM 1141 H ASP A 73 32.757 6.095 18.736 1.00 0.00 H +ATOM 1142 CA ASP A 73 30.773 5.310 18.553 1.00 0.00 C +ATOM 1143 HA ASP A 73 30.691 4.328 18.085 1.00 0.00 H +ATOM 1144 C ASP A 73 29.529 6.126 18.147 1.00 0.00 C +ATOM 1145 O ASP A 73 28.552 5.653 17.567 1.00 0.00 O +ATOM 1146 CB ASP A 73 30.887 5.194 20.076 1.00 0.00 C +ATOM 1147 HB2 ASP A 73 30.729 6.159 20.558 1.00 0.00 H +ATOM 1148 HB3 ASP A 73 31.880 4.829 20.339 1.00 0.00 H +ATOM 1149 CG ASP A 73 29.903 4.193 20.586 1.00 0.00 C +ATOM 1150 OD1 ASP A 73 29.802 3.163 19.802 1.00 0.00 O +ATOM 1151 OD2 ASP A 73 29.271 4.333 21.579 1.00 0.00 O +ATOM 1152 N ALA A 74 29.595 7.405 18.438 1.00 0.00 N +ATOM 1153 H ALA A 74 30.428 7.769 18.896 1.00 0.00 H +ATOM 1154 CA ALA A 74 28.513 8.306 18.102 1.00 0.00 C +ATOM 1155 HA ALA A 74 27.599 7.982 18.598 1.00 0.00 H +ATOM 1156 C ALA A 74 28.276 8.293 16.615 1.00 0.00 C +ATOM 1157 O ALA A 74 27.140 8.356 16.147 1.00 0.00 O +ATOM 1158 CB ALA A 74 28.856 9.722 18.535 1.00 0.00 C +ATOM 1159 HB1 ALA A 74 29.023 9.748 19.612 1.00 0.00 H +ATOM 1160 HB2 ALA A 74 28.040 10.398 18.280 1.00 0.00 H +ATOM 1161 HB3 ALA A 74 29.767 10.059 18.035 1.00 0.00 H +ATOM 1162 N ALA A 75 29.350 8.251 15.844 1.00 0.00 N +ATOM 1163 H ALA A 75 30.284 8.255 16.243 1.00 0.00 H +ATOM 1164 CA ALA A 75 29.180 8.225 14.389 1.00 0.00 C +ATOM 1165 HA ALA A 75 28.594 9.101 14.106 1.00 0.00 H +ATOM 1166 C ALA A 75 28.394 7.004 13.916 1.00 0.00 C +ATOM 1167 O ALA A 75 27.474 7.094 13.132 1.00 0.00 O +ATOM 1168 CB ALA A 75 30.509 8.324 13.658 1.00 0.00 C +ATOM 1169 HB1 ALA A 75 31.138 7.464 13.880 1.00 0.00 H +ATOM 1170 HB2 ALA A 75 30.334 8.368 12.582 1.00 0.00 H +ATOM 1171 HB3 ALA A 75 31.028 9.233 13.967 1.00 0.00 H +ATOM 1172 N VAL A 76 28.790 5.855 14.401 1.00 0.00 N +ATOM 1173 H VAL A 76 29.573 5.825 15.051 1.00 0.00 H +ATOM 1174 CA VAL A 76 28.100 4.652 14.015 1.00 0.00 C +ATOM 1175 HA VAL A 76 28.145 4.551 12.930 1.00 0.00 H +ATOM 1176 C VAL A 76 26.611 4.734 14.383 1.00 0.00 C +ATOM 1177 O VAL A 76 25.715 4.486 13.565 1.00 0.00 O +ATOM 1178 CB VAL A 76 28.790 3.443 14.638 1.00 0.00 C +ATOM 1179 HB VAL A 76 28.818 3.532 15.724 1.00 0.00 H +ATOM 1180 CG1 VAL A 76 27.998 2.160 14.260 1.00 0.00 C +ATOM 1181 HG11 VAL A 76 27.915 2.073 13.176 1.00 0.00 H +ATOM 1182 HG12 VAL A 76 27.003 2.176 14.702 1.00 0.00 H +ATOM 1183 HG13 VAL A 76 28.518 1.285 14.651 1.00 0.00 H +ATOM 1184 CG2 VAL A 76 30.207 3.361 14.098 1.00 0.00 C +ATOM 1185 HG21 VAL A 76 30.845 4.095 14.578 1.00 0.00 H +ATOM 1186 HG22 VAL A 76 30.622 2.375 14.305 1.00 0.00 H +ATOM 1187 HG23 VAL A 76 30.206 3.529 13.026 1.00 0.00 H +ATOM 1188 N ARG A 77 26.372 5.115 15.626 1.00 0.00 N +ATOM 1189 H ARG A 77 27.162 5.312 16.240 1.00 0.00 H +ATOM 1190 CA ARG A 77 25.018 5.225 16.120 1.00 0.00 C +ATOM 1191 HA ARG A 77 24.520 4.281 15.891 1.00 0.00 H +ATOM 1192 C ARG A 77 24.201 6.235 15.310 1.00 0.00 C +ATOM 1193 O ARG A 77 23.037 6.031 14.956 1.00 0.00 O +ATOM 1194 CB ARG A 77 25.004 5.366 17.653 1.00 0.00 C +ATOM 1195 HB2 ARG A 77 25.732 6.124 17.946 1.00 0.00 H +ATOM 1196 HB3 ARG A 77 24.015 5.706 17.961 1.00 0.00 H +ATOM 1197 CG ARG A 77 25.300 4.049 18.373 1.00 0.00 C +ATOM 1198 HG2 ARG A 77 24.521 3.333 18.109 1.00 0.00 H +ATOM 1199 HG3 ARG A 77 26.249 3.652 18.006 1.00 0.00 H +ATOM 1200 CD ARG A 77 25.378 4.121 19.911 1.00 0.00 C +ATOM 1201 HD2 ARG A 77 24.455 4.536 20.314 1.00 0.00 H +ATOM 1202 HD3 ARG A 77 25.463 3.098 20.286 1.00 0.00 H +ATOM 1203 NE ARG A 77 26.567 4.844 20.334 1.00 0.00 N +ATOM 1204 HE ARG A 77 27.462 4.351 20.356 1.00 0.00 H +ATOM 1205 CZ ARG A 77 26.544 6.092 20.811 1.00 0.00 C +ATOM 1206 NH1 ARG A 77 25.407 6.768 20.917 1.00 0.00 N +ATOM 1207 HH11 ARG A 77 24.557 6.257 20.797 1.00 0.00 H +ATOM 1208 HH12 ARG A 77 25.427 7.666 21.359 1.00 0.00 H +ATOM 1209 NH2 ARG A 77 27.699 6.674 21.144 1.00 0.00 N +ATOM 1210 HH21 ARG A 77 27.770 7.611 21.483 1.00 0.00 H +ATOM 1211 HH22 ARG A 77 28.477 6.021 21.288 1.00 0.00 H +ATOM 1212 N GLY A 78 24.834 7.332 14.912 1.00 0.00 N +ATOM 1213 H GLY A 78 25.802 7.490 15.171 1.00 0.00 H +ATOM 1214 CA GLY A 78 24.148 8.292 14.079 1.00 0.00 C +ATOM 1215 HA2 GLY A 78 23.257 8.675 14.574 1.00 0.00 H +ATOM 1216 HA3 GLY A 78 24.818 9.120 13.847 1.00 0.00 H +ATOM 1217 C GLY A 78 23.733 7.639 12.756 1.00 0.00 C +ATOM 1218 O GLY A 78 22.661 7.830 12.260 1.00 0.00 O +ATOM 1219 N ILE A 79 24.619 6.871 12.173 1.00 0.00 N +ATOM 1220 H ILE A 79 25.550 6.765 12.562 1.00 0.00 H +ATOM 1221 CA ILE A 79 24.243 6.205 10.963 1.00 0.00 C +ATOM 1222 HA ILE A 79 23.907 6.928 10.218 1.00 0.00 H +ATOM 1223 C ILE A 79 23.086 5.251 11.260 1.00 0.00 C +ATOM 1224 O ILE A 79 22.086 5.170 10.559 1.00 0.00 O +ATOM 1225 CB ILE A 79 25.422 5.396 10.409 1.00 0.00 C +ATOM 1226 HB ILE A 79 25.947 4.894 11.216 1.00 0.00 H +ATOM 1227 CG1 ILE A 79 26.403 6.295 9.670 1.00 0.00 C +ATOM 1228 HG12 ILE A 79 26.555 7.203 10.254 1.00 0.00 H +ATOM 1229 HG13 ILE A 79 26.015 6.563 8.686 1.00 0.00 H +ATOM 1230 CG2 ILE A 79 24.911 4.330 9.448 1.00 0.00 C +ATOM 1231 HG21 ILE A 79 25.728 3.900 8.883 1.00 0.00 H +ATOM 1232 HG22 ILE A 79 24.453 3.501 9.988 1.00 0.00 H +ATOM 1233 HG23 ILE A 79 24.197 4.756 8.742 1.00 0.00 H +ATOM 1234 CD1 ILE A 79 27.766 5.597 9.537 1.00 0.00 C +ATOM 1235 HD11 ILE A 79 27.709 4.698 8.928 1.00 0.00 H +ATOM 1236 HD12 ILE A 79 28.463 6.282 9.055 1.00 0.00 H +ATOM 1237 HD13 ILE A 79 28.154 5.344 10.524 1.00 0.00 H +ATOM 1238 N LEU A 80 23.222 4.474 12.316 1.00 0.00 N +ATOM 1239 H LEU A 80 24.061 4.506 12.883 1.00 0.00 H +ATOM 1240 CA LEU A 80 22.158 3.516 12.548 1.00 0.00 C +ATOM 1241 HA LEU A 80 21.991 3.010 11.597 1.00 0.00 H +ATOM 1242 C LEU A 80 20.793 4.077 12.862 1.00 0.00 C +ATOM 1243 O LEU A 80 19.804 3.384 12.701 1.00 0.00 O +ATOM 1244 CB LEU A 80 22.526 2.412 13.523 1.00 0.00 C +ATOM 1245 HB2 LEU A 80 21.687 1.725 13.643 1.00 0.00 H +ATOM 1246 HB3 LEU A 80 22.725 2.878 14.490 1.00 0.00 H +ATOM 1247 CG LEU A 80 23.747 1.648 13.072 1.00 0.00 C +ATOM 1248 HG LEU A 80 24.577 2.315 12.854 1.00 0.00 H +ATOM 1249 CD1 LEU A 80 24.160 0.762 14.221 1.00 0.00 C +ATOM 1250 HD11 LEU A 80 25.052 0.201 13.942 1.00 0.00 H +ATOM 1251 HD12 LEU A 80 24.398 1.371 15.093 1.00 0.00 H +ATOM 1252 HD13 LEU A 80 23.361 0.062 14.466 1.00 0.00 H +ATOM 1253 CD2 LEU A 80 23.459 0.816 11.844 1.00 0.00 C +ATOM 1254 HD21 LEU A 80 23.355 1.454 10.968 1.00 0.00 H +ATOM 1255 HD22 LEU A 80 24.290 0.137 11.654 1.00 0.00 H +ATOM 1256 HD23 LEU A 80 22.552 0.228 11.979 1.00 0.00 H +ATOM 1257 N ARG A 81 20.745 5.317 13.330 1.00 0.00 N +ATOM 1258 H ARG A 81 21.625 5.804 13.477 1.00 0.00 H +ATOM 1259 CA ARG A 81 19.497 5.981 13.675 1.00 0.00 C +ATOM 1260 HA ARG A 81 18.745 5.279 14.039 1.00 0.00 H +ATOM 1261 C ARG A 81 18.899 6.743 12.524 1.00 0.00 C +ATOM 1262 O ARG A 81 17.784 7.251 12.628 1.00 0.00 O +ATOM 1263 CB ARG A 81 19.766 7.079 14.676 1.00 0.00 C +ATOM 1264 HB2 ARG A 81 18.887 7.725 14.718 1.00 0.00 H +ATOM 1265 HB3 ARG A 81 20.608 7.691 14.342 1.00 0.00 H +ATOM 1266 CG ARG A 81 20.030 6.596 16.069 1.00 0.00 C +ATOM 1267 HG2 ARG A 81 21.029 6.192 16.183 1.00 0.00 H +ATOM 1268 HG3 ARG A 81 19.331 5.787 16.286 1.00 0.00 H +ATOM 1269 CD ARG A 81 19.764 7.710 17.071 1.00 0.00 C +ATOM 1270 HD2 ARG A 81 19.100 7.311 17.841 1.00 0.00 H +ATOM 1271 HD3 ARG A 81 19.236 8.553 16.621 1.00 0.00 H +ATOM 1272 NE ARG A 81 20.990 8.148 17.721 1.00 0.00 N +ATOM 1273 HE ARG A 81 21.355 7.553 18.440 1.00 0.00 H +ATOM 1274 CZ ARG A 81 21.697 9.227 17.382 1.00 0.00 C +ATOM 1275 NH1 ARG A 81 21.356 10.062 16.387 1.00 0.00 N +ATOM 1276 HH11 ARG A 81 20.578 9.836 15.790 1.00 0.00 H +ATOM 1277 HH12 ARG A 81 21.951 10.821 16.104 1.00 0.00 H +ATOM 1278 NH2 ARG A 81 22.803 9.467 18.073 1.00 0.00 N +ATOM 1279 HH21 ARG A 81 23.357 10.274 17.842 1.00 0.00 H +ATOM 1280 HH22 ARG A 81 23.079 8.867 18.827 1.00 0.00 H +ATOM 1281 N ASN A 82 19.698 6.931 11.476 1.00 0.00 N +ATOM 1282 H ASN A 82 20.636 6.550 11.481 1.00 0.00 H +ATOM 1283 CA ASN A 82 19.260 7.702 10.333 1.00 0.00 C +ATOM 1284 HA ASN A 82 18.551 8.449 10.698 1.00 0.00 H +ATOM 1285 C ASN A 82 18.530 6.886 9.268 1.00 0.00 C +ATOM 1286 O ASN A 82 19.080 5.955 8.676 1.00 0.00 O +ATOM 1287 CB ASN A 82 20.422 8.512 9.781 1.00 0.00 C +ATOM 1288 HB2 ASN A 82 21.160 7.854 9.345 1.00 0.00 H +ATOM 1289 HB3 ASN A 82 20.907 9.030 10.606 1.00 0.00 H +ATOM 1290 CG ASN A 82 19.957 9.514 8.759 1.00 0.00 C +ATOM 1291 ND2 ASN A 82 20.267 10.784 8.999 1.00 0.00 N +ATOM 1292 HD21 ASN A 82 19.996 11.505 8.351 1.00 0.00 H +ATOM 1293 HD22 ASN A 82 20.696 11.021 9.898 1.00 0.00 H +ATOM 1294 OD1 ASN A 82 19.309 9.151 7.780 1.00 0.00 O +ATOM 1295 N ALA A 83 17.274 7.233 9.025 1.00 0.00 N +ATOM 1296 H ALA A 83 16.850 7.959 9.582 1.00 0.00 H +ATOM 1297 CA ALA A 83 16.458 6.498 8.070 1.00 0.00 C +ATOM 1298 HA ALA A 83 16.465 5.457 8.399 1.00 0.00 H +ATOM 1299 C ALA A 83 17.021 6.456 6.670 1.00 0.00 C +ATOM 1300 O ALA A 83 16.827 5.518 5.938 1.00 0.00 O +ATOM 1301 CB ALA A 83 15.011 6.921 8.079 1.00 0.00 C +ATOM 1302 HB1 ALA A 83 14.569 6.688 9.050 1.00 0.00 H +ATOM 1303 HB2 ALA A 83 14.934 7.993 7.896 1.00 0.00 H +ATOM 1304 HB3 ALA A 83 14.459 6.383 7.306 1.00 0.00 H +ATOM 1305 N LYS A 84 17.738 7.489 6.290 1.00 0.00 N +ATOM 1306 H LYS A 84 17.978 8.217 6.957 1.00 0.00 H +ATOM 1307 CA LYS A 84 18.320 7.493 4.965 1.00 0.00 C +ATOM 1308 HA LYS A 84 17.687 6.957 4.255 1.00 0.00 H +ATOM 1309 C LYS A 84 19.654 6.777 4.919 1.00 0.00 C +ATOM 1310 O LYS A 84 20.050 6.300 3.871 1.00 0.00 O +ATOM 1311 CB LYS A 84 18.564 8.897 4.458 1.00 0.00 C +ATOM 1312 HB2 LYS A 84 18.901 9.557 5.259 1.00 0.00 H +ATOM 1313 HB3 LYS A 84 19.377 8.862 3.728 1.00 0.00 H +ATOM 1314 CG LYS A 84 17.391 9.470 3.729 1.00 0.00 C +ATOM 1315 HG2 LYS A 84 16.868 8.696 3.163 1.00 0.00 H +ATOM 1316 HG3 LYS A 84 17.820 10.192 3.031 1.00 0.00 H +ATOM 1317 CD LYS A 84 16.458 10.210 4.666 1.00 0.00 C +ATOM 1318 HD2 LYS A 84 17.033 10.880 5.309 1.00 0.00 H +ATOM 1319 HD3 LYS A 84 15.943 9.488 5.302 1.00 0.00 H +ATOM 1320 CE LYS A 84 15.426 11.045 3.916 1.00 0.00 C +ATOM 1321 HE2 LYS A 84 14.431 10.807 4.307 1.00 0.00 H +ATOM 1322 HE3 LYS A 84 15.627 12.100 4.128 1.00 0.00 H +ATOM 1323 NZ LYS A 84 15.470 10.816 2.459 1.00 0.00 N +ATOM 1324 HZ1 LYS A 84 14.766 11.369 1.988 1.00 0.00 H +ATOM 1325 HZ2 LYS A 84 15.300 9.839 2.254 1.00 0.00 H +ATOM 1326 HZ3 LYS A 84 16.377 11.071 2.084 1.00 0.00 H +ATOM 1327 N LEU A 85 20.374 6.760 6.031 1.00 0.00 N +ATOM 1328 H LEU A 85 20.008 7.187 6.872 1.00 0.00 H +ATOM 1329 CA LEU A 85 21.698 6.156 6.019 1.00 0.00 C +ATOM 1330 HA LEU A 85 22.112 6.236 5.014 1.00 0.00 H +ATOM 1331 C LEU A 85 21.747 4.662 6.317 1.00 0.00 C +ATOM 1332 O LEU A 85 22.497 3.905 5.714 1.00 0.00 O +ATOM 1333 CB LEU A 85 22.683 6.918 6.954 1.00 0.00 C +ATOM 1334 HB2 LEU A 85 23.650 6.414 6.905 1.00 0.00 H +ATOM 1335 HB3 LEU A 85 22.338 6.821 7.978 1.00 0.00 H +ATOM 1336 CG LEU A 85 22.894 8.379 6.605 1.00 0.00 C +ATOM 1337 HG LEU A 85 21.947 8.916 6.631 1.00 0.00 H +ATOM 1338 CD1 LEU A 85 23.843 8.996 7.637 1.00 0.00 C +ATOM 1339 HD11 LEU A 85 24.819 8.513 7.599 1.00 0.00 H +ATOM 1340 HD12 LEU A 85 23.960 10.061 7.432 1.00 0.00 H +ATOM 1341 HD13 LEU A 85 23.426 8.892 8.641 1.00 0.00 H +ATOM 1342 CD2 LEU A 85 23.525 8.524 5.219 1.00 0.00 C +ATOM 1343 HD21 LEU A 85 22.825 8.200 4.451 1.00 0.00 H +ATOM 1344 HD22 LEU A 85 24.444 7.941 5.155 1.00 0.00 H +ATOM 1345 HD23 LEU A 85 23.754 9.574 5.042 1.00 0.00 H +ATOM 1346 N LYS A 86 20.976 4.264 7.293 1.00 0.00 N +ATOM 1347 H LYS A 86 20.418 4.950 7.795 1.00 0.00 H +ATOM 1348 CA LYS A 86 20.954 2.909 7.729 1.00 0.00 C +ATOM 1349 HA LYS A 86 21.917 2.730 8.212 1.00 0.00 H +ATOM 1350 C LYS A 86 20.865 1.834 6.661 1.00 0.00 C +ATOM 1351 O LYS A 86 21.599 0.838 6.663 1.00 0.00 O +ATOM 1352 CB LYS A 86 19.905 2.733 8.781 1.00 0.00 C +ATOM 1353 HB2 LYS A 86 18.888 2.971 8.502 1.00 0.00 H +ATOM 1354 HB3 LYS A 86 20.154 3.407 9.604 1.00 0.00 H +ATOM 1355 CG LYS A 86 19.974 1.318 9.304 1.00 0.00 C +ATOM 1356 HG2 LYS A 86 21.015 1.029 9.467 1.00 0.00 H +ATOM 1357 HG3 LYS A 86 19.545 0.656 8.551 1.00 0.00 H +ATOM 1358 CD LYS A 86 19.238 1.131 10.595 1.00 0.00 C +ATOM 1359 HD2 LYS A 86 19.851 1.572 11.362 1.00 0.00 H +ATOM 1360 HD3 LYS A 86 18.251 1.597 10.570 1.00 0.00 H +ATOM 1361 CE LYS A 86 19.144 -0.344 10.958 1.00 0.00 C +ATOM 1362 HE2 LYS A 86 18.770 -0.427 11.982 1.00 0.00 H +ATOM 1363 HE3 LYS A 86 20.155 -0.769 10.930 1.00 0.00 H +ATOM 1364 NZ LYS A 86 18.287 -1.083 10.047 1.00 0.00 N +ATOM 1365 HZ1 LYS A 86 18.255 -2.057 10.318 1.00 0.00 H +ATOM 1366 HZ2 LYS A 86 18.746 -1.104 9.135 1.00 0.00 H +ATOM 1367 HZ3 LYS A 86 17.360 -0.694 9.980 1.00 0.00 H +ATOM 1368 N PRO A 87 19.923 1.989 5.784 1.00 0.00 N +ATOM 1369 CA PRO A 87 19.718 1.012 4.751 1.00 0.00 C +ATOM 1370 HA PRO A 87 19.512 0.040 5.201 1.00 0.00 H +ATOM 1371 C PRO A 87 20.931 0.894 3.863 1.00 0.00 C +ATOM 1372 O PRO A 87 21.327 -0.193 3.490 1.00 0.00 O +ATOM 1373 CB PRO A 87 18.506 1.471 3.952 1.00 0.00 C +ATOM 1374 HB2 PRO A 87 18.804 1.816 2.959 1.00 0.00 H +ATOM 1375 HB3 PRO A 87 17.783 0.661 3.852 1.00 0.00 H +ATOM 1376 CG PRO A 87 17.901 2.641 4.721 1.00 0.00 C +ATOM 1377 HG2 PRO A 87 17.668 3.470 4.052 1.00 0.00 H +ATOM 1378 HG3 PRO A 87 16.990 2.309 5.222 1.00 0.00 H +ATOM 1379 CD PRO A 87 18.921 3.062 5.769 1.00 0.00 C +ATOM 1380 HD2 PRO A 87 19.363 3.995 5.426 1.00 0.00 H +ATOM 1381 HD3 PRO A 87 18.369 3.214 6.683 1.00 0.00 H +ATOM 1382 N VAL A 88 21.556 2.019 3.540 1.00 0.00 N +ATOM 1383 H VAL A 88 21.228 2.906 3.894 1.00 0.00 H +ATOM 1384 CA VAL A 88 22.743 1.963 2.703 1.00 0.00 C +ATOM 1385 HA VAL A 88 22.510 1.391 1.804 1.00 0.00 H +ATOM 1386 C VAL A 88 23.885 1.251 3.432 1.00 0.00 C +ATOM 1387 O VAL A 88 24.555 0.336 2.950 1.00 0.00 O +ATOM 1388 CB VAL A 88 23.208 3.358 2.277 1.00 0.00 C +ATOM 1389 HB VAL A 88 23.614 3.891 3.137 1.00 0.00 H +ATOM 1390 CG1 VAL A 88 24.315 3.235 1.225 1.00 0.00 C +ATOM 1391 HG11 VAL A 88 24.607 4.230 0.890 1.00 0.00 H +ATOM 1392 HG12 VAL A 88 23.955 2.673 0.364 1.00 0.00 H +ATOM 1393 HG13 VAL A 88 25.192 2.740 1.641 1.00 0.00 H +ATOM 1394 CG2 VAL A 88 22.026 4.173 1.750 1.00 0.00 C +ATOM 1395 HG21 VAL A 88 21.546 3.653 0.919 1.00 0.00 H +ATOM 1396 HG22 VAL A 88 22.392 5.134 1.410 1.00 0.00 H +ATOM 1397 HG23 VAL A 88 21.296 4.365 2.535 1.00 0.00 H +ATOM 1398 N TYR A 89 24.101 1.688 4.642 1.00 0.00 N +ATOM 1399 H TYR A 89 23.506 2.423 5.009 1.00 0.00 H +ATOM 1400 CA TYR A 89 25.107 1.129 5.505 1.00 0.00 C +ATOM 1401 HA TYR A 89 26.089 1.319 5.079 1.00 0.00 H +ATOM 1402 C TYR A 89 24.960 -0.392 5.686 1.00 0.00 C +ATOM 1403 O TYR A 89 25.964 -1.131 5.691 1.00 0.00 O +ATOM 1404 CB TYR A 89 25.006 1.855 6.871 1.00 0.00 C +ATOM 1405 HB2 TYR A 89 25.085 2.930 6.700 1.00 0.00 H +ATOM 1406 HB3 TYR A 89 24.031 1.664 7.320 1.00 0.00 H +ATOM 1407 CG TYR A 89 26.080 1.445 7.826 1.00 0.00 C +ATOM 1408 CD1 TYR A 89 27.346 2.030 7.761 1.00 0.00 C +ATOM 1409 HD1 TYR A 89 27.540 2.781 7.008 1.00 0.00 H +ATOM 1410 CD2 TYR A 89 25.851 0.462 8.788 1.00 0.00 C +ATOM 1411 HD2 TYR A 89 24.883 -0.030 8.833 1.00 0.00 H +ATOM 1412 CE1 TYR A 89 28.359 1.661 8.638 1.00 0.00 C +ATOM 1413 HE1 TYR A 89 29.334 2.112 8.557 1.00 0.00 H +ATOM 1414 CE2 TYR A 89 26.851 0.090 9.683 1.00 0.00 C +ATOM 1415 HE2 TYR A 89 26.661 -0.669 10.426 1.00 0.00 H +ATOM 1416 CZ TYR A 89 28.101 0.707 9.623 1.00 0.00 C +ATOM 1417 OH TYR A 89 29.091 0.303 10.491 1.00 0.00 O +ATOM 1418 HH TYR A 89 29.818 0.924 10.508 1.00 0.00 H +ATOM 1419 N ASP A 90 23.709 -0.854 5.846 1.00 0.00 N +ATOM 1420 H ASP A 90 22.947 -0.196 5.970 1.00 0.00 H +ATOM 1421 CA ASP A 90 23.437 -2.279 6.057 1.00 0.00 C +ATOM 1422 HA ASP A 90 24.113 -2.685 6.810 1.00 0.00 H +ATOM 1423 C ASP A 90 23.760 -3.036 4.832 1.00 0.00 C +ATOM 1424 O ASP A 90 24.152 -4.193 4.899 1.00 0.00 O +ATOM 1425 CB ASP A 90 21.977 -2.531 6.393 1.00 0.00 C +ATOM 1426 HB2 ASP A 90 21.332 -1.893 5.786 1.00 0.00 H +ATOM 1427 HB3 ASP A 90 21.726 -3.573 6.186 1.00 0.00 H +ATOM 1428 CG ASP A 90 21.731 -2.288 7.841 1.00 0.00 C +ATOM 1429 OD1 ASP A 90 22.848 -2.091 8.515 1.00 0.00 O +ATOM 1430 OD2 ASP A 90 20.642 -2.285 8.325 1.00 0.00 O +ATOM 1431 N SER A 91 23.593 -2.401 3.704 1.00 0.00 N +ATOM 1432 H SER A 91 23.211 -1.462 3.697 1.00 0.00 H +ATOM 1433 CA SER A 91 23.868 -3.125 2.490 1.00 0.00 C +ATOM 1434 HA SER A 91 23.415 -4.115 2.557 1.00 0.00 H +ATOM 1435 C SER A 91 25.341 -3.313 2.229 1.00 0.00 C +ATOM 1436 O SER A 91 25.735 -4.064 1.316 1.00 0.00 O +ATOM 1437 CB SER A 91 23.269 -2.434 1.271 1.00 0.00 C +ATOM 1438 HB2 SER A 91 22.251 -2.112 1.498 1.00 0.00 H +ATOM 1439 HB3 SER A 91 23.233 -3.138 0.438 1.00 0.00 H +ATOM 1440 OG SER A 91 24.054 -1.304 0.884 1.00 0.00 O +ATOM 1441 HG SER A 91 24.158 -0.711 1.655 1.00 0.00 H +ATOM 1442 N LEU A 92 26.200 -2.568 2.905 1.00 0.00 N +ATOM 1443 H LEU A 92 25.870 -1.965 3.649 1.00 0.00 H +ATOM 1444 CA LEU A 92 27.633 -2.616 2.575 1.00 0.00 C +ATOM 1445 HA LEU A 92 27.754 -2.743 1.501 1.00 0.00 H +ATOM 1446 C LEU A 92 28.443 -3.694 3.251 1.00 0.00 C +ATOM 1447 O LEU A 92 28.092 -4.179 4.339 1.00 0.00 O +ATOM 1448 CB LEU A 92 28.328 -1.299 2.979 1.00 0.00 C +ATOM 1449 HB2 LEU A 92 29.397 -1.347 2.780 1.00 0.00 H +ATOM 1450 HB3 LEU A 92 28.203 -1.196 4.056 1.00 0.00 H +ATOM 1451 CG LEU A 92 27.746 -0.042 2.334 1.00 0.00 C +ATOM 1452 HG LEU A 92 26.681 -0.039 2.366 1.00 0.00 H +ATOM 1453 CD1 LEU A 92 28.312 1.192 3.010 1.00 0.00 C +ATOM 1454 HD11 LEU A 92 27.863 2.084 2.573 1.00 0.00 H +ATOM 1455 HD12 LEU A 92 28.079 1.166 4.073 1.00 0.00 H +ATOM 1456 HD13 LEU A 92 29.394 1.231 2.888 1.00 0.00 H +ATOM 1457 CD2 LEU A 92 28.207 -0.025 0.874 1.00 0.00 C +ATOM 1458 HD21 LEU A 92 27.730 -0.837 0.330 1.00 0.00 H +ATOM 1459 HD22 LEU A 92 27.891 0.911 0.412 1.00 0.00 H +ATOM 1460 HD23 LEU A 92 29.288 -0.111 0.803 1.00 0.00 H +ATOM 1461 N ASP A 93 29.609 -3.991 2.651 1.00 0.00 N +ATOM 1462 H ASP A 93 29.906 -3.516 1.808 1.00 0.00 H +ATOM 1463 CA ASP A 93 30.556 -4.919 3.274 1.00 0.00 C +ATOM 1464 HA ASP A 93 30.013 -5.749 3.729 1.00 0.00 H +ATOM 1465 C ASP A 93 31.351 -4.198 4.373 1.00 0.00 C +ATOM 1466 O ASP A 93 31.275 -2.970 4.520 1.00 0.00 O +ATOM 1467 CB ASP A 93 31.557 -5.480 2.295 1.00 0.00 C +ATOM 1468 HB2 ASP A 93 32.243 -6.162 2.801 1.00 0.00 H +ATOM 1469 HB3 ASP A 93 31.021 -6.064 1.544 1.00 0.00 H +ATOM 1470 CG ASP A 93 32.327 -4.396 1.620 1.00 0.00 C +ATOM 1471 OD1 ASP A 93 31.679 -3.885 0.599 1.00 0.00 O +ATOM 1472 OD2 ASP A 93 33.439 -4.033 1.978 1.00 0.00 O +ATOM 1473 N ALA A 94 32.146 -4.938 5.143 1.00 0.00 N +ATOM 1474 H ALA A 94 32.219 -5.928 4.972 1.00 0.00 H +ATOM 1475 CA ALA A 94 32.892 -4.363 6.239 1.00 0.00 C +ATOM 1476 HA ALA A 94 32.122 -3.802 6.773 1.00 0.00 H +ATOM 1477 C ALA A 94 33.897 -3.256 5.913 1.00 0.00 C +ATOM 1478 O ALA A 94 34.018 -2.306 6.663 1.00 0.00 O +ATOM 1479 CB ALA A 94 33.335 -5.369 7.301 1.00 0.00 C +ATOM 1480 HB1 ALA A 94 32.616 -6.188 7.359 1.00 0.00 H +ATOM 1481 HB2 ALA A 94 34.315 -5.776 7.047 1.00 0.00 H +ATOM 1482 HB3 ALA A 94 33.392 -4.876 8.273 1.00 0.00 H +ATOM 1483 N VAL A 95 34.634 -3.342 4.810 1.00 0.00 N +ATOM 1484 H VAL A 95 34.449 -4.073 4.131 1.00 0.00 H +ATOM 1485 CA VAL A 95 35.558 -2.281 4.462 1.00 0.00 C +ATOM 1486 HA VAL A 95 36.175 -2.038 5.329 1.00 0.00 H +ATOM 1487 C VAL A 95 34.796 -1.000 4.093 1.00 0.00 C +ATOM 1488 O VAL A 95 35.042 0.080 4.646 1.00 0.00 O +ATOM 1489 CB VAL A 95 36.480 -2.760 3.345 1.00 0.00 C +ATOM 1490 HB VAL A 95 35.909 -3.111 2.486 1.00 0.00 H +ATOM 1491 CG1 VAL A 95 37.476 -1.685 2.896 1.00 0.00 C +ATOM 1492 HG11 VAL A 95 38.205 -2.114 2.212 1.00 0.00 H +ATOM 1493 HG12 VAL A 95 36.946 -0.892 2.371 1.00 0.00 H +ATOM 1494 HG13 VAL A 95 37.996 -1.264 3.758 1.00 0.00 H +ATOM 1495 CG2 VAL A 95 37.314 -3.892 3.922 1.00 0.00 C +ATOM 1496 HG21 VAL A 95 38.038 -4.220 3.176 1.00 0.00 H +ATOM 1497 HG22 VAL A 95 37.846 -3.559 4.813 1.00 0.00 H +ATOM 1498 HG23 VAL A 95 36.688 -4.750 4.165 1.00 0.00 H +ATOM 1499 N ARG A 96 33.870 -1.134 3.167 1.00 0.00 N +ATOM 1500 H ARG A 96 33.728 -2.057 2.754 1.00 0.00 H +ATOM 1501 CA ARG A 96 33.057 -0.019 2.743 1.00 0.00 C +ATOM 1502 HA ARG A 96 33.724 0.762 2.372 1.00 0.00 H +ATOM 1503 C ARG A 96 32.334 0.614 3.908 1.00 0.00 C +ATOM 1504 O ARG A 96 32.121 1.828 3.947 1.00 0.00 O +ATOM 1505 CB ARG A 96 32.101 -0.382 1.624 1.00 0.00 C +ATOM 1506 HB2 ARG A 96 31.457 0.475 1.421 1.00 0.00 H +ATOM 1507 HB3 ARG A 96 31.494 -1.236 1.926 1.00 0.00 H +ATOM 1508 CG ARG A 96 32.874 -0.733 0.361 1.00 0.00 C +ATOM 1509 HG2 ARG A 96 33.501 0.110 0.074 1.00 0.00 H +ATOM 1510 HG3 ARG A 96 33.505 -1.606 0.533 1.00 0.00 H +ATOM 1511 CD ARG A 96 31.890 -1.043 -0.753 1.00 0.00 C +ATOM 1512 HD2 ARG A 96 31.298 -1.926 -0.535 1.00 0.00 H +ATOM 1513 HD3 ARG A 96 31.195 -0.206 -0.832 1.00 0.00 H +ATOM 1514 NE ARG A 96 32.574 -1.154 -2.019 1.00 0.00 N +ATOM 1515 HE ARG A 96 32.702 -0.319 -2.580 1.00 0.00 H +ATOM 1516 CZ ARG A 96 33.052 -2.302 -2.503 1.00 0.00 C +ATOM 1517 NH1 ARG A 96 32.971 -3.466 -1.840 1.00 0.00 N +ATOM 1518 HH11 ARG A 96 33.431 -4.287 -2.172 1.00 0.00 H +ATOM 1519 HH12 ARG A 96 32.535 -3.487 -0.909 1.00 0.00 H +ATOM 1520 NH2 ARG A 96 33.661 -2.292 -3.685 1.00 0.00 N +ATOM 1521 HH21 ARG A 96 34.085 -3.123 -4.047 1.00 0.00 H +ATOM 1522 HH22 ARG A 96 33.692 -1.432 -4.213 1.00 0.00 H +ATOM 1523 N ARG A 97 31.944 -0.189 4.883 1.00 0.00 N +ATOM 1524 H ARG A 97 32.032 -1.198 4.790 1.00 0.00 H +ATOM 1525 CA ARG A 97 31.280 0.424 6.031 1.00 0.00 C +ATOM 1526 HA ARG A 97 30.434 1.021 5.686 1.00 0.00 H +ATOM 1527 C ARG A 97 32.229 1.411 6.754 1.00 0.00 C +ATOM 1528 O ARG A 97 31.819 2.429 7.300 1.00 0.00 O +ATOM 1529 CB ARG A 97 30.768 -0.580 7.054 1.00 0.00 C +ATOM 1530 HB2 ARG A 97 31.574 -1.267 7.316 1.00 0.00 H +ATOM 1531 HB3 ARG A 97 30.470 -0.051 7.958 1.00 0.00 H +ATOM 1532 CG ARG A 97 29.588 -1.374 6.556 1.00 0.00 C +ATOM 1533 HG2 ARG A 97 29.747 -1.872 5.628 1.00 0.00 H +ATOM 1534 HG3 ARG A 97 28.792 -0.654 6.359 1.00 0.00 H +ATOM 1535 CD ARG A 97 29.031 -2.355 7.625 1.00 0.00 C +ATOM 1536 HD2 ARG A 97 29.824 -3.047 7.913 1.00 0.00 H +ATOM 1537 HD3 ARG A 97 28.701 -1.789 8.497 1.00 0.00 H +ATOM 1538 NE ARG A 97 27.903 -3.105 7.057 1.00 0.00 N +ATOM 1539 HE ARG A 97 27.614 -2.883 6.112 1.00 0.00 H +ATOM 1540 CZ ARG A 97 27.227 -4.079 7.656 1.00 0.00 C +ATOM 1541 NH1 ARG A 97 27.505 -4.424 8.876 1.00 0.00 N +ATOM 1542 HH11 ARG A 97 28.172 -3.871 9.377 1.00 0.00 H +ATOM 1543 HH12 ARG A 97 26.973 -5.149 9.316 1.00 0.00 H +ATOM 1544 NH2 ARG A 97 26.228 -4.672 6.973 1.00 0.00 N +ATOM 1545 HH21 ARG A 97 25.582 -5.284 7.429 1.00 0.00 H +ATOM 1546 HH22 ARG A 97 26.006 -4.358 6.033 1.00 0.00 H +ATOM 1547 N ALA A 98 33.511 1.070 6.773 1.00 0.00 N +ATOM 1548 H ALA A 98 33.832 0.227 6.311 1.00 0.00 H +ATOM 1549 CA ALA A 98 34.462 1.942 7.411 1.00 0.00 C +ATOM 1550 HA ALA A 98 34.129 2.167 8.425 1.00 0.00 H +ATOM 1551 C ALA A 98 34.522 3.252 6.622 1.00 0.00 C +ATOM 1552 O ALA A 98 34.629 4.324 7.202 1.00 0.00 O +ATOM 1553 CB ALA A 98 35.849 1.293 7.483 1.00 0.00 C +ATOM 1554 HB1 ALA A 98 36.283 1.201 6.488 1.00 0.00 H +ATOM 1555 HB2 ALA A 98 36.504 1.921 8.086 1.00 0.00 H +ATOM 1556 HB3 ALA A 98 35.774 0.305 7.940 1.00 0.00 H +ATOM 1557 N ALA A 99 34.439 3.173 5.283 1.00 0.00 N +ATOM 1558 H ALA A 99 34.399 2.270 4.826 1.00 0.00 H +ATOM 1559 CA ALA A 99 34.443 4.405 4.506 1.00 0.00 C +ATOM 1560 HA ALA A 99 35.316 4.992 4.796 1.00 0.00 H +ATOM 1561 C ALA A 99 33.222 5.261 4.844 1.00 0.00 C +ATOM 1562 O ALA A 99 33.282 6.486 4.843 1.00 0.00 O +ATOM 1563 CB ALA A 99 34.534 4.178 2.999 1.00 0.00 C +ATOM 1564 HB1 ALA A 99 35.505 3.755 2.759 1.00 0.00 H +ATOM 1565 HB2 ALA A 99 33.754 3.487 2.680 1.00 0.00 H +ATOM 1566 HB3 ALA A 99 34.406 5.112 2.455 1.00 0.00 H +ATOM 1567 N ALA A 100 32.101 4.608 5.100 1.00 0.00 N +ATOM 1568 H ALA A 100 32.068 3.602 4.983 1.00 0.00 H +ATOM 1569 CA ALA A 100 30.898 5.353 5.415 1.00 0.00 C +ATOM 1570 HA ALA A 100 30.744 6.131 4.668 1.00 0.00 H +ATOM 1571 C ALA A 100 31.052 6.053 6.740 1.00 0.00 C +ATOM 1572 O ALA A 100 30.592 7.176 6.901 1.00 0.00 O +ATOM 1573 CB ALA A 100 29.640 4.458 5.457 1.00 0.00 C +ATOM 1574 HB1 ALA A 100 29.510 3.977 4.487 1.00 0.00 H +ATOM 1575 HB2 ALA A 100 28.763 5.073 5.667 1.00 0.00 H +ATOM 1576 HB3 ALA A 100 29.736 3.692 6.226 1.00 0.00 H +ATOM 1577 N ILE A 101 31.672 5.376 7.707 1.00 0.00 N +ATOM 1578 H ILE A 101 31.978 4.427 7.521 1.00 0.00 H +ATOM 1579 CA ILE A 101 31.840 5.934 9.034 1.00 0.00 C +ATOM 1580 HA ILE A 101 30.871 6.284 9.393 1.00 0.00 H +ATOM 1581 C ILE A 101 32.738 7.167 8.951 1.00 0.00 C +ATOM 1582 O ILE A 101 32.552 8.234 9.585 1.00 0.00 O +ATOM 1583 CB ILE A 101 32.367 4.895 10.034 1.00 0.00 C +ATOM 1584 HB ILE A 101 33.260 4.427 9.617 1.00 0.00 H +ATOM 1585 CG1 ILE A 101 31.313 3.805 10.296 1.00 0.00 C +ATOM 1586 HG12 ILE A 101 30.885 3.481 9.354 1.00 0.00 H +ATOM 1587 HG13 ILE A 101 30.500 4.228 10.886 1.00 0.00 H +ATOM 1588 CG2 ILE A 101 32.741 5.583 11.328 1.00 0.00 C +ATOM 1589 HG21 ILE A 101 33.611 6.226 11.192 1.00 0.00 H +ATOM 1590 HG22 ILE A 101 32.996 4.863 12.101 1.00 0.00 H +ATOM 1591 HG23 ILE A 101 31.906 6.185 11.689 1.00 0.00 H +ATOM 1592 CD1 ILE A 101 31.874 2.553 11.013 1.00 0.00 C +ATOM 1593 HD11 ILE A 101 31.076 1.831 11.161 1.00 0.00 H +ATOM 1594 HD12 ILE A 101 32.286 2.807 11.988 1.00 0.00 H +ATOM 1595 HD13 ILE A 101 32.655 2.100 10.401 1.00 0.00 H +ATOM 1596 N ASN A 102 33.743 7.045 8.112 1.00 0.00 N +ATOM 1597 H ASN A 102 33.890 6.160 7.639 1.00 0.00 H +ATOM 1598 CA ASN A 102 34.706 8.119 7.921 1.00 0.00 C +ATOM 1599 HA ASN A 102 35.177 8.346 8.878 1.00 0.00 H +ATOM 1600 C ASN A 102 34.010 9.384 7.430 1.00 0.00 C +ATOM 1601 O ASN A 102 34.209 10.460 7.965 1.00 0.00 O +ATOM 1602 CB ASN A 102 35.764 7.638 6.932 1.00 0.00 C +ATOM 1603 HB2 ASN A 102 36.095 6.645 7.238 1.00 0.00 H +ATOM 1604 HB3 ASN A 102 35.356 7.558 5.927 1.00 0.00 H +ATOM 1605 CG ASN A 102 36.971 8.530 6.884 1.00 0.00 C +ATOM 1606 ND2 ASN A 102 38.165 7.941 6.872 1.00 0.00 N +ATOM 1607 HD21 ASN A 102 39.002 8.514 6.731 1.00 0.00 H +ATOM 1608 HD22 ASN A 102 38.255 6.937 6.851 1.00 0.00 H +ATOM 1609 OD1 ASN A 102 36.847 9.751 6.798 1.00 0.00 O +ATOM 1610 N MET A 103 33.190 9.257 6.420 1.00 0.00 N +ATOM 1611 H MET A 103 33.063 8.349 5.987 1.00 0.00 H +ATOM 1612 CA MET A 103 32.474 10.415 5.916 1.00 0.00 C +ATOM 1613 HA MET A 103 33.186 11.160 5.557 1.00 0.00 H +ATOM 1614 C MET A 103 31.633 11.070 7.011 1.00 0.00 C +ATOM 1615 O MET A 103 31.610 12.293 7.155 1.00 0.00 O +ATOM 1616 CB MET A 103 31.501 10.039 4.768 1.00 0.00 C +ATOM 1617 HB2 MET A 103 30.917 9.161 5.047 1.00 0.00 H +ATOM 1618 HB3 MET A 103 30.810 10.870 4.626 1.00 0.00 H +ATOM 1619 CG MET A 103 32.183 9.785 3.444 1.00 0.00 C +ATOM 1620 HG2 MET A 103 32.835 10.622 3.192 1.00 0.00 H +ATOM 1621 HG3 MET A 103 32.790 8.885 3.541 1.00 0.00 H +ATOM 1622 SD MET A 103 30.998 9.529 2.120 1.00 0.00 S +ATOM 1623 CE MET A 103 30.629 11.259 1.758 1.00 0.00 C +ATOM 1624 HE1 MET A 103 30.074 11.705 2.583 1.00 0.00 H +ATOM 1625 HE2 MET A 103 30.015 11.313 0.858 1.00 0.00 H +ATOM 1626 HE3 MET A 103 31.552 11.816 1.592 1.00 0.00 H +ATOM 1627 N VAL A 104 30.900 10.255 7.762 1.00 0.00 N +ATOM 1628 H VAL A 104 30.933 9.253 7.604 1.00 0.00 H +ATOM 1629 CA VAL A 104 30.038 10.804 8.794 1.00 0.00 C +ATOM 1630 HA VAL A 104 29.444 11.605 8.352 1.00 0.00 H +ATOM 1631 C VAL A 104 30.869 11.459 9.874 1.00 0.00 C +ATOM 1632 O VAL A 104 30.513 12.510 10.349 1.00 0.00 O +ATOM 1633 CB VAL A 104 29.055 9.794 9.385 1.00 0.00 C +ATOM 1634 HB VAL A 104 29.588 8.907 9.732 1.00 0.00 H +ATOM 1635 CG1 VAL A 104 28.318 10.422 10.550 1.00 0.00 C +ATOM 1636 HG11 VAL A 104 28.979 10.528 11.411 1.00 0.00 H +ATOM 1637 HG12 VAL A 104 27.492 9.777 10.857 1.00 0.00 H +ATOM 1638 HG13 VAL A 104 27.916 11.395 10.270 1.00 0.00 H +ATOM 1639 CG2 VAL A 104 28.030 9.391 8.338 1.00 0.00 C +ATOM 1640 HG21 VAL A 104 28.520 8.900 7.497 1.00 0.00 H +ATOM 1641 HG22 VAL A 104 27.314 8.700 8.770 1.00 0.00 H +ATOM 1642 HG23 VAL A 104 27.481 10.266 7.994 1.00 0.00 H +ATOM 1643 N PHE A 105 31.986 10.848 10.262 1.00 0.00 N +ATOM 1644 H PHE A 105 32.249 9.964 9.843 1.00 0.00 H +ATOM 1645 CA PHE A 105 32.827 11.414 11.298 1.00 0.00 C +ATOM 1646 HA PHE A 105 32.283 11.484 12.241 1.00 0.00 H +ATOM 1647 C PHE A 105 33.308 12.812 10.903 1.00 0.00 C +ATOM 1648 O PHE A 105 33.453 13.709 11.707 1.00 0.00 O +ATOM 1649 CB PHE A 105 34.059 10.524 11.469 1.00 0.00 C +ATOM 1650 HB2 PHE A 105 34.625 10.493 10.538 1.00 0.00 H +ATOM 1651 HB3 PHE A 105 33.725 9.507 11.676 1.00 0.00 H +ATOM 1652 CG PHE A 105 34.990 10.953 12.576 1.00 0.00 C +ATOM 1653 CD1 PHE A 105 35.940 11.947 12.361 1.00 0.00 C +ATOM 1654 HD1 PHE A 105 35.998 12.469 11.417 1.00 0.00 H +ATOM 1655 CD2 PHE A 105 34.971 10.306 13.811 1.00 0.00 C +ATOM 1656 HD2 PHE A 105 34.240 9.530 13.987 1.00 0.00 H +ATOM 1657 CE1 PHE A 105 36.815 12.302 13.390 1.00 0.00 C +ATOM 1658 HE1 PHE A 105 37.523 13.106 13.236 1.00 0.00 H +ATOM 1659 CE2 PHE A 105 35.857 10.623 14.838 1.00 0.00 C +ATOM 1660 HE2 PHE A 105 35.820 10.104 15.784 1.00 0.00 H +ATOM 1661 CZ PHE A 105 36.786 11.639 14.619 1.00 0.00 C +ATOM 1662 HZ PHE A 105 37.453 11.935 15.414 1.00 0.00 H +ATOM 1663 N GLN A 106 33.591 12.977 9.619 1.00 0.00 N +ATOM 1664 H GLN A 106 33.516 12.168 9.013 1.00 0.00 H +ATOM 1665 CA GLN A 106 34.097 14.217 9.046 1.00 0.00 C +ATOM 1666 HA GLN A 106 34.791 14.657 9.765 1.00 0.00 H +ATOM 1667 C GLN A 106 33.034 15.250 8.790 1.00 0.00 C +ATOM 1668 O GLN A 106 33.246 16.420 9.049 1.00 0.00 O +ATOM 1669 CB GLN A 106 34.902 14.018 7.685 1.00 0.00 C +ATOM 1670 HB2 GLN A 106 34.220 13.596 6.945 1.00 0.00 H +ATOM 1671 HB3 GLN A 106 35.691 13.288 7.857 1.00 0.00 H +ATOM 1672 CG GLN A 106 35.545 15.311 7.084 1.00 0.00 C +ATOM 1673 HG2 GLN A 106 34.794 16.096 7.027 1.00 0.00 H +ATOM 1674 HG3 GLN A 106 36.324 15.654 7.765 1.00 0.00 H +ATOM 1675 CD GLN A 106 36.150 15.199 5.669 1.00 0.00 C +ATOM 1676 NE2 GLN A 106 36.785 16.268 5.142 1.00 0.00 N +ATOM 1677 HE21 GLN A 106 37.175 16.197 4.210 1.00 0.00 H +ATOM 1678 HE22 GLN A 106 36.846 17.126 5.664 1.00 0.00 H +ATOM 1679 OE1 GLN A 106 36.100 14.154 5.055 1.00 0.00 O +ATOM 1680 N MET A 107 31.938 14.835 8.201 1.00 0.00 N +ATOM 1681 H MET A 107 31.824 13.857 7.961 1.00 0.00 H +ATOM 1682 CA MET A 107 30.974 15.806 7.799 1.00 0.00 C +ATOM 1683 HA MET A 107 31.307 16.794 8.108 1.00 0.00 H +ATOM 1684 C MET A 107 29.629 15.797 8.444 1.00 0.00 C +ATOM 1685 O MET A 107 28.803 16.625 8.138 1.00 0.00 O +ATOM 1686 CB MET A 107 30.965 15.956 6.253 1.00 0.00 C +ATOM 1687 HB2 MET A 107 30.533 16.930 6.017 1.00 0.00 H +ATOM 1688 HB3 MET A 107 32.007 15.998 5.931 1.00 0.00 H +ATOM 1689 CG MET A 107 30.249 14.948 5.414 1.00 0.00 C +ATOM 1690 HG2 MET A 107 29.173 15.078 5.533 1.00 0.00 H +ATOM 1691 HG3 MET A 107 30.526 13.938 5.705 1.00 0.00 H +ATOM 1692 SD MET A 107 30.720 15.242 3.680 1.00 0.00 S +ATOM 1693 CE MET A 107 32.208 14.282 3.569 1.00 0.00 C +ATOM 1694 HE1 MET A 107 33.032 14.808 4.048 1.00 0.00 H +ATOM 1695 HE2 MET A 107 32.059 13.325 4.069 1.00 0.00 H +ATOM 1696 HE3 MET A 107 32.403 14.082 2.524 1.00 0.00 H +ATOM 1697 N GLY A 108 29.426 14.898 9.360 1.00 0.00 N +ATOM 1698 H GLY A 108 30.135 14.216 9.611 1.00 0.00 H +ATOM 1699 CA GLY A 108 28.171 14.908 10.002 1.00 0.00 C +ATOM 1700 HA2 GLY A 108 28.290 14.390 10.955 1.00 0.00 H +ATOM 1701 HA3 GLY A 108 27.822 15.920 10.211 1.00 0.00 H +ATOM 1702 C GLY A 108 27.167 14.191 9.173 1.00 0.00 C +ATOM 1703 O GLY A 108 27.213 14.077 7.947 1.00 0.00 O +ATOM 1704 N GLU A 109 26.229 13.752 9.922 1.00 0.00 N +ATOM 1705 H GLU A 109 26.298 13.849 10.923 1.00 0.00 H +ATOM 1706 CA GLU A 109 25.194 12.972 9.395 1.00 0.00 C +ATOM 1707 HA GLU A 109 25.643 12.190 8.776 1.00 0.00 H +ATOM 1708 C GLU A 109 24.294 13.728 8.464 1.00 0.00 C +ATOM 1709 O GLU A 109 23.773 13.176 7.517 1.00 0.00 O +ATOM 1710 CB GLU A 109 24.504 12.291 10.559 1.00 0.00 C +ATOM 1711 HB2 GLU A 109 24.800 11.275 10.294 1.00 0.00 H +ATOM 1712 HB3 GLU A 109 24.957 12.547 11.521 1.00 0.00 H +ATOM 1713 CG GLU A 109 23.014 12.550 10.613 1.00 0.00 C +ATOM 1714 HG2 GLU A 109 22.541 12.586 9.634 1.00 0.00 H +ATOM 1715 HG3 GLU A 109 22.817 13.480 11.151 1.00 0.00 H +ATOM 1716 CD GLU A 109 22.389 11.387 11.297 1.00 0.00 C +ATOM 1717 OE1 GLU A 109 23.273 10.455 11.551 1.00 0.00 O +ATOM 1718 OE2 GLU A 109 21.211 11.320 11.559 1.00 0.00 O +ATOM 1719 N THR A 110 24.136 15.006 8.712 1.00 0.00 N +ATOM 1720 H THR A 110 24.472 15.407 9.572 1.00 0.00 H +ATOM 1721 CA THR A 110 23.311 15.770 7.809 1.00 0.00 C +ATOM 1722 HA THR A 110 22.372 15.245 7.630 1.00 0.00 H +ATOM 1723 C THR A 110 24.041 15.885 6.502 1.00 0.00 C +ATOM 1724 O THR A 110 23.473 15.600 5.441 1.00 0.00 O +ATOM 1725 CB THR A 110 22.983 17.158 8.357 1.00 0.00 C +ATOM 1726 HB THR A 110 23.898 17.698 8.603 1.00 0.00 H +ATOM 1727 CG2 THR A 110 22.191 17.949 7.329 1.00 0.00 C +ATOM 1728 HG21 THR A 110 22.812 18.207 6.471 1.00 0.00 H +ATOM 1729 HG22 THR A 110 21.332 17.366 6.992 1.00 0.00 H +ATOM 1730 HG23 THR A 110 21.837 18.877 7.777 1.00 0.00 H +ATOM 1731 OG1 THR A 110 22.213 17.003 9.511 1.00 0.00 O +ATOM 1732 HG1 THR A 110 21.785 17.838 9.704 1.00 0.00 H +ATOM 1733 N GLY A 111 25.303 16.316 6.628 1.00 0.00 N +ATOM 1734 H GLY A 111 25.689 16.435 7.551 1.00 0.00 H +ATOM 1735 CA GLY A 111 26.186 16.471 5.507 1.00 0.00 C +ATOM 1736 HA2 GLY A 111 25.923 17.372 4.952 1.00 0.00 H +ATOM 1737 HA3 GLY A 111 27.212 16.557 5.864 1.00 0.00 H +ATOM 1738 C GLY A 111 26.097 15.287 4.577 1.00 0.00 C +ATOM 1739 O GLY A 111 25.734 15.440 3.423 1.00 0.00 O +ATOM 1740 N VAL A 112 26.357 14.096 5.097 1.00 0.00 N +ATOM 1741 H VAL A 112 26.635 14.029 6.072 1.00 0.00 H +ATOM 1742 CA VAL A 112 26.308 12.899 4.265 1.00 0.00 C +ATOM 1743 HA VAL A 112 27.018 13.024 3.446 1.00 0.00 H +ATOM 1744 C VAL A 112 24.964 12.621 3.636 1.00 0.00 C +ATOM 1745 O VAL A 112 24.859 12.272 2.446 1.00 0.00 O +ATOM 1746 CB VAL A 112 26.728 11.717 5.092 1.00 0.00 C +ATOM 1747 HB VAL A 112 26.025 11.522 5.904 1.00 0.00 H +ATOM 1748 CG1 VAL A 112 26.831 10.501 4.171 1.00 0.00 C +ATOM 1749 HG11 VAL A 112 25.844 10.175 3.846 1.00 0.00 H +ATOM 1750 HG12 VAL A 112 27.288 9.673 4.714 1.00 0.00 H +ATOM 1751 HG13 VAL A 112 27.444 10.729 3.297 1.00 0.00 H +ATOM 1752 CG2 VAL A 112 28.094 12.024 5.661 1.00 0.00 C +ATOM 1753 HG21 VAL A 112 28.140 12.865 6.320 1.00 0.00 H +ATOM 1754 HG22 VAL A 112 28.468 11.156 6.196 1.00 0.00 H +ATOM 1755 HG23 VAL A 112 28.785 12.224 4.842 1.00 0.00 H +ATOM 1756 N ALA A 113 23.963 12.764 4.509 1.00 0.00 N +ATOM 1757 H ALA A 113 24.167 13.078 5.452 1.00 0.00 H +ATOM 1758 CA ALA A 113 22.585 12.549 4.177 1.00 0.00 C +ATOM 1759 HA ALA A 113 22.514 11.493 3.911 1.00 0.00 H +ATOM 1760 C ALA A 113 22.174 13.272 2.886 1.00 0.00 C +ATOM 1761 O ALA A 113 21.330 12.788 2.133 1.00 0.00 O +ATOM 1762 CB ALA A 113 21.684 12.704 5.383 1.00 0.00 C +ATOM 1763 HB1 ALA A 113 20.653 12.504 5.092 1.00 0.00 H +ATOM 1764 HB2 ALA A 113 21.971 11.988 6.154 1.00 0.00 H +ATOM 1765 HB3 ALA A 113 21.747 13.718 5.775 1.00 0.00 H +ATOM 1766 N GLY A 114 22.817 14.414 2.584 1.00 0.00 N +ATOM 1767 H GLY A 114 23.497 14.778 3.245 1.00 0.00 H +ATOM 1768 CA GLY A 114 22.562 15.168 1.337 1.00 0.00 C +ATOM 1769 HA2 GLY A 114 22.964 16.173 1.461 1.00 0.00 H +ATOM 1770 HA3 GLY A 114 21.486 15.249 1.184 1.00 0.00 H +ATOM 1771 C GLY A 114 23.180 14.581 0.055 1.00 0.00 C +ATOM 1772 O GLY A 114 23.081 15.143 -1.047 1.00 0.00 O +ATOM 1773 N PHE A 115 23.995 13.532 0.164 1.00 0.00 N +ATOM 1774 H PHE A 115 24.163 13.129 1.079 1.00 0.00 H +ATOM 1775 CA PHE A 115 24.597 12.897 -0.987 1.00 0.00 C +ATOM 1776 HA PHE A 115 24.828 13.609 -1.781 1.00 0.00 H +ATOM 1777 C PHE A 115 23.680 11.810 -1.523 1.00 0.00 C +ATOM 1778 O PHE A 115 24.096 10.705 -1.810 1.00 0.00 O +ATOM 1779 CB PHE A 115 25.859 12.201 -0.532 1.00 0.00 C +ATOM 1780 HB2 PHE A 115 26.190 11.484 -1.281 1.00 0.00 H +ATOM 1781 HB3 PHE A 115 25.715 11.625 0.375 1.00 0.00 H +ATOM 1782 CG PHE A 115 27.048 13.118 -0.410 1.00 0.00 C +ATOM 1783 CD1 PHE A 115 27.038 14.220 0.450 1.00 0.00 C +ATOM 1784 HD1 PHE A 115 26.181 14.421 1.072 1.00 0.00 H +ATOM 1785 CD2 PHE A 115 28.190 12.875 -1.169 1.00 0.00 C +ATOM 1786 HD2 PHE A 115 28.168 12.065 -1.875 1.00 0.00 H +ATOM 1787 CE1 PHE A 115 28.143 15.066 0.554 1.00 0.00 C +ATOM 1788 HE1 PHE A 115 28.119 15.901 1.240 1.00 0.00 H +ATOM 1789 CE2 PHE A 115 29.297 13.718 -1.090 1.00 0.00 C +ATOM 1790 HE2 PHE A 115 30.163 13.512 -1.705 1.00 0.00 H +ATOM 1791 CZ PHE A 115 29.279 14.807 -0.210 1.00 0.00 C +ATOM 1792 HZ PHE A 115 30.146 15.445 -0.125 1.00 0.00 H +ATOM 1793 N THR A 116 22.425 12.135 -1.608 1.00 0.00 N +ATOM 1794 H THR A 116 22.173 13.052 -1.271 1.00 0.00 H +ATOM 1795 CA THR A 116 21.377 11.253 -2.029 1.00 0.00 C +ATOM 1796 HA THR A 116 21.104 10.606 -1.195 1.00 0.00 H +ATOM 1797 C THR A 116 21.708 10.398 -3.199 1.00 0.00 C +ATOM 1798 O THR A 116 21.553 9.198 -3.138 1.00 0.00 O +ATOM 1799 CB THR A 116 20.161 12.081 -2.431 1.00 0.00 C +ATOM 1800 HB THR A 116 20.389 12.711 -3.292 1.00 0.00 H +ATOM 1801 CG2 THR A 116 19.008 11.149 -2.788 1.00 0.00 C +ATOM 1802 HG21 THR A 116 18.901 10.369 -2.034 1.00 0.00 H +ATOM 1803 HG22 THR A 116 19.161 10.700 -3.769 1.00 0.00 H +ATOM 1804 HG23 THR A 116 18.085 11.728 -2.827 1.00 0.00 H +ATOM 1805 OG1 THR A 116 19.804 12.910 -1.382 1.00 0.00 O +ATOM 1806 HG1 THR A 116 20.257 13.751 -1.472 1.00 0.00 H +ATOM 1807 N ASN A 117 22.097 11.033 -4.290 1.00 0.00 N +ATOM 1808 H ASN A 117 22.206 12.036 -4.276 1.00 0.00 H +ATOM 1809 CA ASN A 117 22.437 10.262 -5.487 1.00 0.00 C +ATOM 1810 HA ASN A 117 21.562 9.650 -5.689 1.00 0.00 H +ATOM 1811 C ASN A 117 23.567 9.243 -5.317 1.00 0.00 C +ATOM 1812 O ASN A 117 23.509 8.116 -5.796 1.00 0.00 O +ATOM 1813 CB ASN A 117 22.662 11.135 -6.745 1.00 0.00 C +ATOM 1814 HB2 ASN A 117 23.568 11.726 -6.601 1.00 0.00 H +ATOM 1815 HB3 ASN A 117 22.800 10.503 -7.621 1.00 0.00 H +ATOM 1816 CG ASN A 117 21.484 12.062 -6.992 1.00 0.00 C +ATOM 1817 ND2 ASN A 117 21.771 13.310 -7.345 1.00 0.00 N +ATOM 1818 HD21 ASN A 117 22.717 13.636 -7.415 1.00 0.00 H +ATOM 1819 HD22 ASN A 117 20.991 13.929 -7.496 1.00 0.00 H +ATOM 1820 OD1 ASN A 117 20.321 11.676 -6.853 1.00 0.00 O +ATOM 1821 N SER A 118 24.651 9.648 -4.641 1.00 0.00 N +ATOM 1822 H SER A 118 24.704 10.575 -4.239 1.00 0.00 H +ATOM 1823 CA SER A 118 25.762 8.725 -4.415 1.00 0.00 C +ATOM 1824 HA SER A 118 26.123 8.326 -5.363 1.00 0.00 H +ATOM 1825 C SER A 118 25.289 7.572 -3.536 1.00 0.00 C +ATOM 1826 O SER A 118 25.709 6.442 -3.723 1.00 0.00 O +ATOM 1827 CB SER A 118 26.918 9.386 -3.675 1.00 0.00 C +ATOM 1828 HB2 SER A 118 26.626 9.600 -2.646 1.00 0.00 H +ATOM 1829 HB3 SER A 118 27.762 8.696 -3.657 1.00 0.00 H +ATOM 1830 OG SER A 118 27.319 10.605 -4.289 1.00 0.00 O +ATOM 1831 HG SER A 118 27.198 10.664 -5.262 1.00 0.00 H +ATOM 1832 N LEU A 119 24.455 7.904 -2.537 1.00 0.00 N +ATOM 1833 H LEU A 119 24.223 8.884 -2.398 1.00 0.00 H +ATOM 1834 CA LEU A 119 23.915 6.932 -1.603 1.00 0.00 C +ATOM 1835 HA LEU A 119 24.757 6.424 -1.134 1.00 0.00 H +ATOM 1836 C LEU A 119 23.157 5.816 -2.353 1.00 0.00 C +ATOM 1837 O LEU A 119 23.346 4.623 -2.123 1.00 0.00 O +ATOM 1838 CB LEU A 119 23.055 7.570 -0.462 1.00 0.00 C +ATOM 1839 HB2 LEU A 119 22.569 6.772 0.088 1.00 0.00 H +ATOM 1840 HB3 LEU A 119 22.262 8.159 -0.919 1.00 0.00 H +ATOM 1841 CG LEU A 119 23.805 8.477 0.545 1.00 0.00 C +ATOM 1842 HG LEU A 119 24.311 9.278 0.028 1.00 0.00 H +ATOM 1843 CD1 LEU A 119 22.820 9.096 1.552 1.00 0.00 C +ATOM 1844 HD11 LEU A 119 23.358 9.743 2.245 1.00 0.00 H +ATOM 1845 HD12 LEU A 119 22.298 8.309 2.096 1.00 0.00 H +ATOM 1846 HD13 LEU A 119 22.092 9.707 1.019 1.00 0.00 H +ATOM 1847 CD2 LEU A 119 24.871 7.716 1.305 1.00 0.00 C +ATOM 1848 HD21 LEU A 119 24.429 6.851 1.800 1.00 0.00 H +ATOM 1849 HD22 LEU A 119 25.649 7.389 0.618 1.00 0.00 H +ATOM 1850 HD23 LEU A 119 25.332 8.362 2.052 1.00 0.00 H +ATOM 1851 N ARG A 120 22.328 6.218 -3.268 1.00 0.00 N +ATOM 1852 H ARG A 120 22.173 7.218 -3.359 1.00 0.00 H +ATOM 1853 CA ARG A 120 21.559 5.277 -4.064 1.00 0.00 C +ATOM 1854 HA ARG A 120 20.971 4.629 -3.408 1.00 0.00 H +ATOM 1855 C ARG A 120 22.499 4.404 -4.862 1.00 0.00 C +ATOM 1856 O ARG A 120 22.321 3.185 -4.994 1.00 0.00 O +ATOM 1857 CB ARG A 120 20.652 6.054 -5.001 1.00 0.00 C +ATOM 1858 HB2 ARG A 120 21.267 6.643 -5.682 1.00 0.00 H +ATOM 1859 HB3 ARG A 120 20.065 6.750 -4.397 1.00 0.00 H +ATOM 1860 CG ARG A 120 19.692 5.215 -5.805 1.00 0.00 C +ATOM 1861 HG2 ARG A 120 20.265 4.546 -6.395 1.00 0.00 H +ATOM 1862 HG3 ARG A 120 19.057 4.649 -5.121 1.00 0.00 H +ATOM 1863 CD ARG A 120 18.812 6.103 -6.691 1.00 0.00 C +ATOM 1864 HD2 ARG A 120 17.887 5.555 -6.886 1.00 0.00 H +ATOM 1865 HD3 ARG A 120 18.531 7.013 -6.158 1.00 0.00 H +ATOM 1866 NE ARG A 120 19.436 6.395 -7.989 1.00 0.00 N +ATOM 1867 HE ARG A 120 19.304 5.715 -8.717 1.00 0.00 H +ATOM 1868 CZ ARG A 120 20.063 7.534 -8.323 1.00 0.00 C +ATOM 1869 NH1 ARG A 120 20.176 8.571 -7.491 1.00 0.00 N +ATOM 1870 HH11 ARG A 120 19.743 8.508 -6.586 1.00 0.00 H +ATOM 1871 HH12 ARG A 120 20.423 9.488 -7.827 1.00 0.00 H +ATOM 1872 NH2 ARG A 120 20.590 7.621 -9.552 1.00 0.00 N +ATOM 1873 HH21 ARG A 120 21.029 8.475 -9.845 1.00 0.00 H +ATOM 1874 HH22 ARG A 120 20.516 6.859 -10.202 1.00 0.00 H +ATOM 1875 N MET A 121 23.540 5.042 -5.402 1.00 0.00 N +ATOM 1876 H MET A 121 23.671 6.036 -5.258 1.00 0.00 H +ATOM 1877 CA MET A 121 24.487 4.278 -6.166 1.00 0.00 C +ATOM 1878 HA MET A 121 23.928 3.659 -6.869 1.00 0.00 H +ATOM 1879 C MET A 121 25.257 3.292 -5.298 1.00 0.00 C +ATOM 1880 O MET A 121 25.527 2.163 -5.684 1.00 0.00 O +ATOM 1881 CB MET A 121 25.459 5.106 -7.024 1.00 0.00 C +ATOM 1882 HB2 MET A 121 26.227 4.446 -7.431 1.00 0.00 H +ATOM 1883 HB3 MET A 121 25.949 5.836 -6.378 1.00 0.00 H +ATOM 1884 CG MET A 121 24.814 5.829 -8.186 1.00 0.00 C +ATOM 1885 HG2 MET A 121 24.556 5.128 -8.980 1.00 0.00 H +ATOM 1886 HG3 MET A 121 23.913 6.330 -7.833 1.00 0.00 H +ATOM 1887 SD MET A 121 25.972 7.091 -8.810 1.00 0.00 S +ATOM 1888 CE MET A 121 24.874 8.392 -9.376 1.00 0.00 C +ATOM 1889 HE1 MET A 121 23.907 7.965 -9.640 1.00 0.00 H +ATOM 1890 HE2 MET A 121 25.309 8.865 -10.257 1.00 0.00 H +ATOM 1891 HE3 MET A 121 24.749 9.131 -8.585 1.00 0.00 H +ATOM 1892 N LEU A 122 25.609 3.678 -4.115 1.00 0.00 N +ATOM 1893 H LEU A 122 25.451 4.628 -3.796 1.00 0.00 H +ATOM 1894 CA LEU A 122 26.303 2.724 -3.301 1.00 0.00 C +ATOM 1895 HA LEU A 122 27.157 2.320 -3.847 1.00 0.00 H +ATOM 1896 C LEU A 122 25.384 1.542 -2.982 1.00 0.00 C +ATOM 1897 O LEU A 122 25.783 0.380 -3.045 1.00 0.00 O +ATOM 1898 CB LEU A 122 26.813 3.389 -2.014 1.00 0.00 C +ATOM 1899 HB2 LEU A 122 25.982 3.924 -1.551 1.00 0.00 H +ATOM 1900 HB3 LEU A 122 27.140 2.618 -1.315 1.00 0.00 H +ATOM 1901 CG LEU A 122 27.977 4.377 -2.250 1.00 0.00 C +ATOM 1902 HG LEU A 122 27.765 5.033 -3.091 1.00 0.00 H +ATOM 1903 CD1 LEU A 122 28.199 5.235 -0.997 1.00 0.00 C +ATOM 1904 HD11 LEU A 122 27.304 5.822 -0.795 1.00 0.00 H +ATOM 1905 HD12 LEU A 122 28.420 4.601 -0.138 1.00 0.00 H +ATOM 1906 HD13 LEU A 122 29.033 5.919 -1.160 1.00 0.00 H +ATOM 1907 CD2 LEU A 122 29.275 3.619 -2.520 1.00 0.00 C +ATOM 1908 HD21 LEU A 122 29.197 3.080 -3.461 1.00 0.00 H +ATOM 1909 HD22 LEU A 122 30.094 4.332 -2.607 1.00 0.00 H +ATOM 1910 HD23 LEU A 122 29.487 2.927 -1.707 1.00 0.00 H +ATOM 1911 N GLN A 123 24.141 1.872 -2.662 1.00 0.00 N +ATOM 1912 H GLN A 123 23.872 2.848 -2.578 1.00 0.00 H +ATOM 1913 CA GLN A 123 23.218 0.843 -2.309 1.00 0.00 C +ATOM 1914 HA GLN A 123 23.648 0.281 -1.477 1.00 0.00 H +ATOM 1915 C GLN A 123 23.031 -0.161 -3.436 1.00 0.00 C +ATOM 1916 O GLN A 123 22.839 -1.359 -3.222 1.00 0.00 O +ATOM 1917 CB GLN A 123 21.906 1.412 -1.823 1.00 0.00 C +ATOM 1918 HB2 GLN A 123 21.522 2.145 -2.534 1.00 0.00 H +ATOM 1919 HB3 GLN A 123 22.078 1.903 -0.865 1.00 0.00 H +ATOM 1920 CG GLN A 123 20.878 0.291 -1.655 1.00 0.00 C +ATOM 1921 HG2 GLN A 123 20.453 0.015 -2.621 1.00 0.00 H +ATOM 1922 HG3 GLN A 123 21.378 -0.582 -1.231 1.00 0.00 H +ATOM 1923 CD GLN A 123 19.752 0.635 -0.715 1.00 0.00 C +ATOM 1924 NE2 GLN A 123 19.106 -0.400 -0.165 1.00 0.00 N +ATOM 1925 HE21 GLN A 123 19.412 -1.340 -0.345 1.00 0.00 H +ATOM 1926 HE22 GLN A 123 18.344 -0.180 0.451 1.00 0.00 H +ATOM 1927 OE1 GLN A 123 19.462 1.817 -0.494 1.00 0.00 O +ATOM 1928 N GLN A 124 23.122 0.323 -4.655 1.00 0.00 N +ATOM 1929 H GLN A 124 23.234 1.320 -4.794 1.00 0.00 H +ATOM 1930 CA GLN A 124 22.950 -0.563 -5.767 1.00 0.00 C +ATOM 1931 HA GLN A 124 22.219 -1.342 -5.541 1.00 0.00 H +ATOM 1932 C GLN A 124 24.230 -1.222 -6.136 1.00 0.00 C +ATOM 1933 O GLN A 124 24.231 -1.960 -7.102 1.00 0.00 O +ATOM 1934 CB GLN A 124 22.496 0.186 -7.011 1.00 0.00 C +ATOM 1935 HB2 GLN A 124 23.233 0.955 -7.247 1.00 0.00 H +ATOM 1936 HB3 GLN A 124 22.405 -0.499 -7.854 1.00 0.00 H +ATOM 1937 CG GLN A 124 21.113 0.864 -6.802 1.00 0.00 C +ATOM 1938 HG2 GLN A 124 21.077 1.507 -5.937 1.00 0.00 H +ATOM 1939 HG3 GLN A 124 20.376 0.080 -6.625 1.00 0.00 H +ATOM 1940 CD GLN A 124 20.695 1.603 -8.065 1.00 0.00 C +ATOM 1941 NE2 GLN A 124 20.660 2.932 -7.983 1.00 0.00 N +ATOM 1942 HE21 GLN A 124 20.444 3.417 -8.830 1.00 0.00 H +ATOM 1943 HE22 GLN A 124 20.995 3.353 -7.135 1.00 0.00 H +ATOM 1944 OE1 GLN A 124 20.435 1.007 -9.105 1.00 0.00 O +ATOM 1945 N LYS A 125 25.333 -0.904 -5.432 1.00 0.00 N +ATOM 1946 H LYS A 125 25.250 -0.284 -4.634 1.00 0.00 H +ATOM 1947 CA LYS A 125 26.642 -1.497 -5.741 1.00 0.00 C +ATOM 1948 HA LYS A 125 27.327 -1.029 -5.032 1.00 0.00 H +ATOM 1949 C LYS A 125 27.236 -1.136 -7.086 1.00 0.00 C +ATOM 1950 O LYS A 125 28.038 -1.891 -7.662 1.00 0.00 O +ATOM 1951 CB LYS A 125 26.785 -3.007 -5.499 1.00 0.00 C +ATOM 1952 HB2 LYS A 125 26.307 -3.558 -6.311 1.00 0.00 H +ATOM 1953 HB3 LYS A 125 27.842 -3.271 -5.490 1.00 0.00 H +ATOM 1954 CG LYS A 125 26.150 -3.432 -4.194 1.00 0.00 C +ATOM 1955 HG2 LYS A 125 25.066 -3.466 -4.317 1.00 0.00 H +ATOM 1956 HG3 LYS A 125 26.375 -2.664 -3.452 1.00 0.00 H +ATOM 1957 CD LYS A 125 26.628 -4.764 -3.630 1.00 0.00 C +ATOM 1958 HD2 LYS A 125 27.714 -4.804 -3.595 1.00 0.00 H +ATOM 1959 HD3 LYS A 125 26.286 -5.557 -4.298 1.00 0.00 H +ATOM 1960 CE LYS A 125 26.056 -5.005 -2.249 1.00 0.00 C +ATOM 1961 HE2 LYS A 125 24.988 -4.763 -2.268 1.00 0.00 H +ATOM 1962 HE3 LYS A 125 26.143 -6.073 -2.028 1.00 0.00 H +ATOM 1963 NZ LYS A 125 26.723 -4.240 -1.184 1.00 0.00 N +ATOM 1964 HZ1 LYS A 125 26.594 -3.247 -1.333 1.00 0.00 H +ATOM 1965 HZ2 LYS A 125 27.706 -4.458 -1.116 1.00 0.00 H +ATOM 1966 HZ3 LYS A 125 26.294 -4.439 -0.279 1.00 0.00 H +ATOM 1967 N ARG A 126 26.931 0.051 -7.551 1.00 0.00 N +ATOM 1968 H ARG A 126 26.340 0.647 -6.982 1.00 0.00 H +ATOM 1969 CA ARG A 126 27.493 0.559 -8.783 1.00 0.00 C +ATOM 1970 HA ARG A 126 27.803 -0.236 -9.465 1.00 0.00 H +ATOM 1971 C ARG A 126 28.727 1.370 -8.364 1.00 0.00 C +ATOM 1972 O ARG A 126 28.698 2.603 -8.244 1.00 0.00 O +ATOM 1973 CB ARG A 126 26.447 1.436 -9.447 1.00 0.00 C +ATOM 1974 HB2 ARG A 126 26.034 2.127 -8.708 1.00 0.00 H +ATOM 1975 HB3 ARG A 126 26.909 2.016 -10.247 1.00 0.00 H +ATOM 1976 CG ARG A 126 25.331 0.591 -10.060 1.00 0.00 C +ATOM 1977 HG2 ARG A 126 25.086 -0.261 -9.424 1.00 0.00 H +ATOM 1978 HG3 ARG A 126 25.684 0.209 -11.020 1.00 0.00 H +ATOM 1979 CD ARG A 126 24.077 1.407 -10.257 1.00 0.00 C +ATOM 1980 HD2 ARG A 126 23.404 1.267 -9.414 1.00 0.00 H +ATOM 1981 HD3 ARG A 126 24.357 2.463 -10.270 1.00 0.00 H +ATOM 1982 NE ARG A 126 23.389 1.151 -11.525 1.00 0.00 N +ATOM 1983 HE ARG A 126 23.738 1.658 -12.329 1.00 0.00 H +ATOM 1984 CZ ARG A 126 22.437 0.236 -11.710 1.00 0.00 C +ATOM 1985 NH1 ARG A 126 22.050 -0.621 -10.737 1.00 0.00 N +ATOM 1986 HH11 ARG A 126 21.320 -1.286 -10.897 1.00 0.00 H +ATOM 1987 HH12 ARG A 126 22.374 -0.472 -9.800 1.00 0.00 H +ATOM 1988 NH2 ARG A 126 21.903 0.089 -12.914 1.00 0.00 N +ATOM 1989 HH21 ARG A 126 21.320 -0.705 -13.115 1.00 0.00 H +ATOM 1990 HH22 ARG A 126 22.196 0.711 -13.648 1.00 0.00 H +ATOM 1991 N TRP A 127 29.811 0.656 -8.115 1.00 0.00 N +ATOM 1992 H TRP A 127 29.754 -0.353 -8.156 1.00 0.00 H +ATOM 1993 CA TRP A 127 31.006 1.287 -7.578 1.00 0.00 C +ATOM 1994 HA TRP A 127 30.603 1.849 -6.733 1.00 0.00 H +ATOM 1995 C TRP A 127 31.698 2.391 -8.338 1.00 0.00 C +ATOM 1996 O TRP A 127 31.997 3.452 -7.791 1.00 0.00 O +ATOM 1997 CB TRP A 127 31.972 0.365 -6.884 1.00 0.00 C +ATOM 1998 HB2 TRP A 127 32.524 0.937 -6.144 1.00 0.00 H +ATOM 1999 HB3 TRP A 127 32.685 -0.023 -7.614 1.00 0.00 H +ATOM 2000 CG TRP A 127 31.312 -0.804 -6.170 1.00 0.00 C +ATOM 2001 CD1 TRP A 127 31.459 -2.091 -6.537 1.00 0.00 C +ATOM 2002 HD1 TRP A 127 32.014 -2.421 -7.409 1.00 0.00 H +ATOM 2003 CD2 TRP A 127 30.547 -0.799 -4.953 1.00 0.00 C +ATOM 2004 CE2 TRP A 127 30.272 -2.151 -4.640 1.00 0.00 C +ATOM 2005 CE3 TRP A 127 30.093 0.186 -4.059 1.00 0.00 C +ATOM 2006 HE3 TRP A 127 30.306 1.225 -4.259 1.00 0.00 H +ATOM 2007 NE1 TRP A 127 30.849 -2.899 -5.641 1.00 0.00 N +ATOM 2008 HE1 TRP A 127 30.792 -3.902 -5.741 1.00 0.00 H +ATOM 2009 CZ2 TRP A 127 29.592 -2.521 -3.488 1.00 0.00 C +ATOM 2010 HZ2 TRP A 127 29.468 -3.562 -3.249 1.00 0.00 H +ATOM 2011 CZ3 TRP A 127 29.371 -0.185 -2.949 1.00 0.00 C +ATOM 2012 HZ3 TRP A 127 28.992 0.575 -2.279 1.00 0.00 H +ATOM 2013 CH2 TRP A 127 29.121 -1.538 -2.661 1.00 0.00 C +ATOM 2014 HH2 TRP A 127 28.578 -1.792 -1.764 1.00 0.00 H +ATOM 2015 N ASP A 128 32.033 2.125 -9.566 1.00 0.00 N +ATOM 2016 H ASP A 128 31.947 1.197 -9.950 1.00 0.00 H +ATOM 2017 CA ASP A 128 32.673 3.158 -10.326 1.00 0.00 C +ATOM 2018 HA ASP A 128 33.592 3.476 -9.831 1.00 0.00 H +ATOM 2019 C ASP A 128 31.775 4.365 -10.441 1.00 0.00 C +ATOM 2020 O ASP A 128 32.223 5.481 -10.293 1.00 0.00 O +ATOM 2021 CB ASP A 128 33.022 2.647 -11.709 1.00 0.00 C +ATOM 2022 HB2 ASP A 128 33.231 3.501 -12.357 1.00 0.00 H +ATOM 2023 HB3 ASP A 128 32.182 2.091 -12.131 1.00 0.00 H +ATOM 2024 CG ASP A 128 34.252 1.767 -11.655 1.00 0.00 C +ATOM 2025 OD1 ASP A 128 34.591 1.122 -10.684 1.00 0.00 O +ATOM 2026 OD2 ASP A 128 34.975 1.827 -12.747 1.00 0.00 O +ATOM 2027 N GLU A 129 30.485 4.147 -10.667 1.00 0.00 N +ATOM 2028 H GLU A 129 30.142 3.211 -10.815 1.00 0.00 H +ATOM 2029 CA GLU A 129 29.597 5.285 -10.773 1.00 0.00 C +ATOM 2030 HA GLU A 129 30.000 5.949 -11.539 1.00 0.00 H +ATOM 2031 C GLU A 129 29.506 6.124 -9.527 1.00 0.00 C +ATOM 2032 O GLU A 129 29.475 7.348 -9.579 1.00 0.00 O +ATOM 2033 CB GLU A 129 28.218 4.853 -11.254 1.00 0.00 C +ATOM 2034 HB2 GLU A 129 27.564 5.721 -11.349 1.00 0.00 H +ATOM 2035 HB3 GLU A 129 27.786 4.152 -10.540 1.00 0.00 H +ATOM 2036 CG GLU A 129 28.393 4.177 -12.624 1.00 0.00 C +ATOM 2037 HG2 GLU A 129 28.635 4.948 -13.360 1.00 0.00 H +ATOM 2038 HG3 GLU A 129 29.228 3.475 -12.620 1.00 0.00 H +ATOM 2039 CD GLU A 129 27.200 3.402 -13.093 1.00 0.00 C +ATOM 2040 OE1 GLU A 129 26.112 4.134 -13.170 1.00 0.00 O +ATOM 2041 OE2 GLU A 129 27.257 2.230 -13.425 1.00 0.00 O +ATOM 2042 N ALA A 130 29.447 5.458 -8.406 1.00 0.00 N +ATOM 2043 H ALA A 130 29.424 4.444 -8.410 1.00 0.00 H +ATOM 2044 CA ALA A 130 29.333 6.189 -7.175 1.00 0.00 C +ATOM 2045 HA ALA A 130 28.474 6.860 -7.217 1.00 0.00 H +ATOM 2046 C ALA A 130 30.585 7.018 -6.962 1.00 0.00 C +ATOM 2047 O ALA A 130 30.532 8.158 -6.530 1.00 0.00 O +ATOM 2048 CB ALA A 130 29.154 5.214 -6.016 1.00 0.00 C +ATOM 2049 HB1 ALA A 130 30.014 4.546 -5.947 1.00 0.00 H +ATOM 2050 HB2 ALA A 130 29.055 5.773 -5.085 1.00 0.00 H +ATOM 2051 HB3 ALA A 130 28.256 4.615 -6.165 1.00 0.00 H +ATOM 2052 N ALA A 131 31.719 6.422 -7.307 1.00 0.00 N +ATOM 2053 H ALA A 131 31.699 5.479 -7.685 1.00 0.00 H +ATOM 2054 CA ALA A 131 33.001 7.077 -7.118 1.00 0.00 C +ATOM 2055 HA ALA A 131 33.106 7.324 -6.062 1.00 0.00 H +ATOM 2056 C ALA A 131 33.049 8.379 -7.884 1.00 0.00 C +ATOM 2057 O ALA A 131 33.534 9.400 -7.396 1.00 0.00 O +ATOM 2058 CB ALA A 131 34.177 6.172 -7.526 1.00 0.00 C +ATOM 2059 HB1 ALA A 131 34.084 5.876 -8.570 1.00 0.00 H +ATOM 2060 HB2 ALA A 131 35.118 6.705 -7.394 1.00 0.00 H +ATOM 2061 HB3 ALA A 131 34.176 5.278 -6.902 1.00 0.00 H +ATOM 2062 N VAL A 132 32.547 8.324 -9.108 1.00 0.00 N +ATOM 2063 H VAL A 132 32.209 7.431 -9.461 1.00 0.00 H +ATOM 2064 CA VAL A 132 32.512 9.491 -9.950 1.00 0.00 C +ATOM 2065 HA VAL A 132 33.504 9.944 -9.962 1.00 0.00 H +ATOM 2066 C VAL A 132 31.571 10.535 -9.338 1.00 0.00 C +ATOM 2067 O VAL A 132 31.939 11.694 -9.199 1.00 0.00 O +ATOM 2068 CB VAL A 132 32.140 9.126 -11.415 1.00 0.00 C +ATOM 2069 HB VAL A 132 31.303 8.427 -11.410 1.00 0.00 H +ATOM 2070 CG1 VAL A 132 31.731 10.329 -12.214 1.00 0.00 C +ATOM 2071 HG11 VAL A 132 32.511 11.090 -12.163 1.00 0.00 H +ATOM 2072 HG12 VAL A 132 30.793 10.729 -11.834 1.00 0.00 H +ATOM 2073 HG13 VAL A 132 31.579 10.039 -13.254 1.00 0.00 H +ATOM 2074 CG2 VAL A 132 33.328 8.465 -12.117 1.00 0.00 C +ATOM 2075 HG21 VAL A 132 33.040 8.150 -13.120 1.00 0.00 H +ATOM 2076 HG22 VAL A 132 34.169 9.156 -12.178 1.00 0.00 H +ATOM 2077 HG23 VAL A 132 33.633 7.577 -11.561 1.00 0.00 H +ATOM 2078 N ASN A 133 30.381 10.120 -8.922 1.00 0.00 N +ATOM 2079 H ASN A 133 30.139 9.135 -9.010 1.00 0.00 H +ATOM 2080 CA ASN A 133 29.429 11.043 -8.347 1.00 0.00 C +ATOM 2081 HA ASN A 133 29.302 11.882 -9.030 1.00 0.00 H +ATOM 2082 C ASN A 133 29.941 11.631 -7.031 1.00 0.00 C +ATOM 2083 O ASN A 133 29.747 12.793 -6.695 1.00 0.00 O +ATOM 2084 CB ASN A 133 28.077 10.372 -8.139 1.00 0.00 C +ATOM 2085 HB2 ASN A 133 27.762 9.882 -9.060 1.00 0.00 H +ATOM 2086 HB3 ASN A 133 28.179 9.594 -7.381 1.00 0.00 H +ATOM 2087 CG ASN A 133 26.999 11.333 -7.676 1.00 0.00 C +ATOM 2088 ND2 ASN A 133 26.390 11.964 -8.650 1.00 0.00 N +ATOM 2089 HD21 ASN A 133 26.593 11.745 -9.605 1.00 0.00 H +ATOM 2090 HD22 ASN A 133 25.776 12.708 -8.374 1.00 0.00 H +ATOM 2091 OD1 ASN A 133 26.783 11.565 -6.470 1.00 0.00 O +ATOM 2092 N LEU A 134 30.619 10.839 -6.241 1.00 0.00 N +ATOM 2093 H LEU A 134 30.770 9.869 -6.482 1.00 0.00 H +ATOM 2094 CA LEU A 134 31.072 11.360 -4.966 1.00 0.00 C +ATOM 2095 HA LEU A 134 30.215 11.761 -4.423 1.00 0.00 H +ATOM 2096 C LEU A 134 32.052 12.534 -5.152 1.00 0.00 C +ATOM 2097 O LEU A 134 32.141 13.426 -4.319 1.00 0.00 O +ATOM 2098 CB LEU A 134 31.765 10.268 -4.071 1.00 0.00 C +ATOM 2099 HB2 LEU A 134 32.442 9.703 -4.713 1.00 0.00 H +ATOM 2100 HB3 LEU A 134 32.378 10.765 -3.327 1.00 0.00 H +ATOM 2101 CG LEU A 134 30.822 9.280 -3.348 1.00 0.00 C +ATOM 2102 HG LEU A 134 30.072 8.908 -4.043 1.00 0.00 H +ATOM 2103 CD1 LEU A 134 31.637 8.091 -2.819 1.00 0.00 C +ATOM 2104 HD11 LEU A 134 32.361 8.436 -2.082 1.00 0.00 H +ATOM 2105 HD12 LEU A 134 32.151 7.601 -3.646 1.00 0.00 H +ATOM 2106 HD13 LEU A 134 30.964 7.374 -2.349 1.00 0.00 H +ATOM 2107 CD2 LEU A 134 30.133 9.963 -2.183 1.00 0.00 C +ATOM 2108 HD21 LEU A 134 29.547 10.769 -2.600 1.00 0.00 H +ATOM 2109 HD22 LEU A 134 30.850 10.366 -1.468 1.00 0.00 H +ATOM 2110 HD23 LEU A 134 29.465 9.265 -1.680 1.00 0.00 H +ATOM 2111 N ALA A 135 32.835 12.481 -6.229 1.00 0.00 N +ATOM 2112 H ALA A 135 32.750 11.689 -6.854 1.00 0.00 H +ATOM 2113 CA ALA A 135 33.864 13.477 -6.512 1.00 0.00 C +ATOM 2114 HA ALA A 135 34.419 13.624 -5.585 1.00 0.00 H +ATOM 2115 C ALA A 135 33.310 14.861 -6.863 1.00 0.00 C +ATOM 2116 O ALA A 135 33.984 15.895 -6.728 1.00 0.00 O +ATOM 2117 CB ALA A 135 34.896 12.944 -7.534 1.00 0.00 C +ATOM 2118 HB1 ALA A 135 35.333 12.008 -7.183 1.00 0.00 H +ATOM 2119 HB2 ALA A 135 35.693 13.683 -7.626 1.00 0.00 H +ATOM 2120 HB3 ALA A 135 34.433 12.804 -8.511 1.00 0.00 H +ATOM 2121 N LYS A 136 32.059 14.900 -7.291 1.00 0.00 N +ATOM 2122 H LYS A 136 31.526 14.037 -7.299 1.00 0.00 H +ATOM 2123 CA LYS A 136 31.394 16.158 -7.631 1.00 0.00 C +ATOM 2124 HA LYS A 136 32.098 16.860 -8.084 1.00 0.00 H +ATOM 2125 C LYS A 136 30.821 16.786 -6.414 1.00 0.00 C +ATOM 2126 O LYS A 136 29.636 16.840 -6.241 1.00 0.00 O +ATOM 2127 CB LYS A 136 30.232 15.925 -8.550 1.00 0.00 C +ATOM 2128 HB2 LYS A 136 29.807 16.887 -8.846 1.00 0.00 H +ATOM 2129 HB3 LYS A 136 29.462 15.306 -8.081 1.00 0.00 H +ATOM 2130 CG LYS A 136 30.729 15.180 -9.767 1.00 0.00 C +ATOM 2131 HG2 LYS A 136 31.657 15.636 -10.120 1.00 0.00 H +ATOM 2132 HG3 LYS A 136 30.914 14.134 -9.522 1.00 0.00 H +ATOM 2133 CD LYS A 136 29.707 15.250 -10.878 1.00 0.00 C +ATOM 2134 HD2 LYS A 136 29.444 16.290 -11.084 1.00 0.00 H +ATOM 2135 HD3 LYS A 136 28.814 14.718 -10.545 1.00 0.00 H +ATOM 2136 CE LYS A 136 30.268 14.629 -12.133 1.00 0.00 C +ATOM 2137 HE2 LYS A 136 31.050 13.921 -11.835 1.00 0.00 H +ATOM 2138 HE3 LYS A 136 30.739 15.403 -12.748 1.00 0.00 H +ATOM 2139 NZ LYS A 136 29.221 13.906 -12.876 1.00 0.00 N +ATOM 2140 HZ1 LYS A 136 28.713 13.287 -12.260 1.00 0.00 H +ATOM 2141 HZ2 LYS A 136 28.572 14.562 -13.293 1.00 0.00 H +ATOM 2142 HZ3 LYS A 136 29.637 13.353 -13.616 1.00 0.00 H +ATOM 2143 N SER A 137 31.706 17.232 -5.565 1.00 0.00 N +ATOM 2144 H SER A 137 32.700 17.149 -5.759 1.00 0.00 H +ATOM 2145 CA SER A 137 31.249 17.745 -4.320 1.00 0.00 C +ATOM 2146 HA SER A 137 30.287 18.247 -4.435 1.00 0.00 H +ATOM 2147 C SER A 137 32.250 18.739 -3.748 1.00 0.00 C +ATOM 2148 O SER A 137 33.467 18.734 -4.007 1.00 0.00 O +ATOM 2149 CB SER A 137 31.089 16.565 -3.359 1.00 0.00 C +ATOM 2150 HB2 SER A 137 30.732 16.926 -2.394 1.00 0.00 H +ATOM 2151 HB3 SER A 137 30.374 15.840 -3.753 1.00 0.00 H +ATOM 2152 OG SER A 137 32.387 15.944 -3.189 1.00 0.00 O +ATOM 2153 HG SER A 137 32.410 15.120 -3.712 1.00 0.00 H +ATOM 2154 N ARG A 138 31.716 19.611 -2.929 1.00 0.00 N +ATOM 2155 H ARG A 138 30.713 19.634 -2.815 1.00 0.00 H +ATOM 2156 CA ARG A 138 32.553 20.556 -2.228 1.00 0.00 C +ATOM 2157 HA ARG A 138 33.088 21.192 -2.938 1.00 0.00 H +ATOM 2158 C ARG A 138 33.602 19.794 -1.424 1.00 0.00 C +ATOM 2159 O ARG A 138 34.759 20.185 -1.380 1.00 0.00 O +ATOM 2160 CB ARG A 138 31.707 21.412 -1.270 1.00 0.00 C +ATOM 2161 HB2 ARG A 138 31.135 22.129 -1.862 1.00 0.00 H +ATOM 2162 HB3 ARG A 138 31.010 20.783 -0.713 1.00 0.00 H +ATOM 2163 CG ARG A 138 32.595 22.160 -0.276 1.00 0.00 C +ATOM 2164 HG2 ARG A 138 33.000 21.469 0.464 1.00 0.00 H +ATOM 2165 HG3 ARG A 138 33.418 22.600 -0.841 1.00 0.00 H +ATOM 2166 CD ARG A 138 31.900 23.308 0.450 1.00 0.00 C +ATOM 2167 HD2 ARG A 138 31.180 22.903 1.164 1.00 0.00 H +ATOM 2168 HD3 ARG A 138 31.344 23.895 -0.285 1.00 0.00 H +ATOM 2169 NE ARG A 138 32.838 24.218 1.141 1.00 0.00 N +ATOM 2170 HE ARG A 138 33.015 25.115 0.720 1.00 0.00 H +ATOM 2171 CZ ARG A 138 33.555 23.938 2.247 1.00 0.00 C +ATOM 2172 NH1 ARG A 138 33.510 22.756 2.860 1.00 0.00 N +ATOM 2173 HH11 ARG A 138 33.056 21.971 2.455 1.00 0.00 H +ATOM 2174 HH12 ARG A 138 34.200 22.641 3.615 1.00 0.00 H +ATOM 2175 NH2 ARG A 138 34.361 24.872 2.747 1.00 0.00 N +ATOM 2176 HH21 ARG A 138 34.849 24.636 3.629 1.00 0.00 H +ATOM 2177 HH22 ARG A 138 34.096 25.842 2.665 1.00 0.00 H +ATOM 2178 N TRP A 139 33.156 18.686 -0.754 1.00 0.00 N +ATOM 2179 H TRP A 139 32.194 18.427 -0.888 1.00 0.00 H +ATOM 2180 CA TRP A 139 33.983 17.803 0.061 1.00 0.00 C +ATOM 2181 HA TRP A 139 34.260 18.286 0.998 1.00 0.00 H +ATOM 2182 C TRP A 139 35.270 17.410 -0.666 1.00 0.00 C +ATOM 2183 O TRP A 139 36.380 17.568 -0.169 1.00 0.00 O +ATOM 2184 CB TRP A 139 33.179 16.513 0.353 1.00 0.00 C +ATOM 2185 HB2 TRP A 139 32.360 16.763 1.029 1.00 0.00 H +ATOM 2186 HB3 TRP A 139 32.732 16.152 -0.572 1.00 0.00 H +ATOM 2187 CG TRP A 139 33.953 15.389 0.968 1.00 0.00 C +ATOM 2188 CD1 TRP A 139 34.652 15.431 2.133 1.00 0.00 C +ATOM 2189 HD1 TRP A 139 34.793 16.313 2.746 1.00 0.00 H +ATOM 2190 CD2 TRP A 139 33.952 14.006 0.530 1.00 0.00 C +ATOM 2191 CE2 TRP A 139 34.739 13.288 1.457 1.00 0.00 C +ATOM 2192 CE3 TRP A 139 33.421 13.362 -0.556 1.00 0.00 C +ATOM 2193 HE3 TRP A 139 32.848 13.905 -1.293 1.00 0.00 H +ATOM 2194 NE1 TRP A 139 35.172 14.178 2.412 1.00 0.00 N +ATOM 2195 HE1 TRP A 139 35.681 13.954 3.268 1.00 0.00 H +ATOM 2196 CZ2 TRP A 139 34.936 11.905 1.333 1.00 0.00 C +ATOM 2197 HZ2 TRP A 139 35.516 11.357 2.060 1.00 0.00 H +ATOM 2198 CZ3 TRP A 139 33.622 11.998 -0.696 1.00 0.00 C +ATOM 2199 HZ3 TRP A 139 33.198 11.480 -1.537 1.00 0.00 H +ATOM 2200 CH2 TRP A 139 34.375 11.286 0.238 1.00 0.00 C +ATOM 2201 HH2 TRP A 139 34.509 10.222 0.103 1.00 0.00 H +ATOM 2202 N TYR A 140 35.099 16.946 -1.898 1.00 0.00 N +ATOM 2203 H TYR A 140 34.163 16.833 -2.269 1.00 0.00 H +ATOM 2204 CA TYR A 140 36.191 16.538 -2.715 1.00 0.00 C +ATOM 2205 HA TYR A 140 36.800 15.799 -2.198 1.00 0.00 H +ATOM 2206 C TYR A 140 37.040 17.700 -3.080 1.00 0.00 C +ATOM 2207 O TYR A 140 38.249 17.600 -3.104 1.00 0.00 O +ATOM 2208 CB TYR A 140 35.680 15.974 -4.024 1.00 0.00 C +ATOM 2209 HB2 TYR A 140 35.002 15.148 -3.805 1.00 0.00 H +ATOM 2210 HB3 TYR A 140 35.109 16.731 -4.562 1.00 0.00 H +ATOM 2211 CG TYR A 140 36.783 15.454 -4.903 1.00 0.00 C +ATOM 2212 CD1 TYR A 140 37.310 14.184 -4.675 1.00 0.00 C +ATOM 2213 HD1 TYR A 140 36.935 13.599 -3.849 1.00 0.00 H +ATOM 2214 CD2 TYR A 140 37.220 16.182 -6.006 1.00 0.00 C +ATOM 2215 HD2 TYR A 140 36.782 17.152 -6.208 1.00 0.00 H +ATOM 2216 CE1 TYR A 140 38.266 13.637 -5.521 1.00 0.00 C +ATOM 2217 HE1 TYR A 140 38.634 12.638 -5.362 1.00 0.00 H +ATOM 2218 CE2 TYR A 140 38.183 15.655 -6.868 1.00 0.00 C +ATOM 2219 HE2 TYR A 140 38.514 16.225 -7.722 1.00 0.00 H +ATOM 2220 CZ TYR A 140 38.692 14.382 -6.619 1.00 0.00 C +ATOM 2221 OH TYR A 140 39.652 13.867 -7.440 1.00 0.00 O +ATOM 2222 HH TYR A 140 39.433 14.062 -8.362 1.00 0.00 H +ATOM 2223 N ASN A 141 36.417 18.806 -3.437 1.00 0.00 N +ATOM 2224 H ASN A 141 35.405 18.821 -3.524 1.00 0.00 H +ATOM 2225 CA ASN A 141 37.201 19.967 -3.824 1.00 0.00 C +ATOM 2226 HA ASN A 141 37.957 19.616 -4.529 1.00 0.00 H +ATOM 2227 C ASN A 141 38.025 20.578 -2.692 1.00 0.00 C +ATOM 2228 O ASN A 141 39.125 21.021 -2.934 1.00 0.00 O +ATOM 2229 CB ASN A 141 36.354 21.017 -4.559 1.00 0.00 C +ATOM 2230 HB2 ASN A 141 35.428 21.205 -4.018 1.00 0.00 H +ATOM 2231 HB3 ASN A 141 36.908 21.951 -4.654 1.00 0.00 H +ATOM 2232 CG ASN A 141 36.042 20.485 -5.925 1.00 0.00 C +ATOM 2233 ND2 ASN A 141 37.057 20.542 -6.779 1.00 0.00 N +ATOM 2234 HD21 ASN A 141 37.929 20.963 -6.517 1.00 0.00 H +ATOM 2235 HD22 ASN A 141 36.869 20.189 -7.701 1.00 0.00 H +ATOM 2236 OD1 ASN A 141 34.970 19.921 -6.193 1.00 0.00 O +ATOM 2237 N GLN A 142 37.516 20.570 -1.452 1.00 0.00 N +ATOM 2238 H GLN A 142 36.573 20.217 -1.340 1.00 0.00 H +ATOM 2239 CA GLN A 142 38.203 21.102 -0.286 1.00 0.00 C +ATOM 2240 HA GLN A 142 38.746 21.990 -0.616 1.00 0.00 H +ATOM 2241 C GLN A 142 39.253 20.216 0.305 1.00 0.00 C +ATOM 2242 O GLN A 142 40.294 20.718 0.733 1.00 0.00 O +ATOM 2243 CB GLN A 142 37.273 21.534 0.843 1.00 0.00 C +ATOM 2244 HB2 GLN A 142 37.860 21.936 1.671 1.00 0.00 H +ATOM 2245 HB3 GLN A 142 36.716 20.669 1.207 1.00 0.00 H +ATOM 2246 CG GLN A 142 36.270 22.605 0.363 1.00 0.00 C +ATOM 2247 HG2 GLN A 142 35.589 22.189 -0.366 1.00 0.00 H +ATOM 2248 HG3 GLN A 142 35.705 22.920 1.231 1.00 0.00 H +ATOM 2249 CD GLN A 142 36.919 23.835 -0.246 1.00 0.00 C +ATOM 2250 NE2 GLN A 142 37.869 24.412 0.488 1.00 0.00 N +ATOM 2251 HE21 GLN A 142 38.303 25.229 0.097 1.00 0.00 H +ATOM 2252 HE22 GLN A 142 38.133 24.034 1.383 1.00 0.00 H +ATOM 2253 OE1 GLN A 142 36.555 24.336 -1.338 1.00 0.00 O +ATOM 2254 N THR A 143 38.962 18.920 0.414 1.00 0.00 N +ATOM 2255 H THR A 143 38.111 18.575 -0.020 1.00 0.00 H +ATOM 2256 CA THR A 143 39.915 17.982 0.970 1.00 0.00 C +ATOM 2257 HA THR A 143 40.887 18.447 1.125 1.00 0.00 H +ATOM 2258 C THR A 143 40.082 16.866 -0.006 1.00 0.00 C +ATOM 2259 O THR A 143 39.735 15.731 0.268 1.00 0.00 O +ATOM 2260 CB THR A 143 39.450 17.417 2.314 1.00 0.00 C +ATOM 2261 HB THR A 143 40.100 16.597 2.620 1.00 0.00 H +ATOM 2262 CG2 THR A 143 39.581 18.539 3.361 1.00 0.00 C +ATOM 2263 HG21 THR A 143 40.599 18.930 3.374 1.00 0.00 H +ATOM 2264 HG22 THR A 143 39.347 18.140 4.348 1.00 0.00 H +ATOM 2265 HG23 THR A 143 38.889 19.352 3.140 1.00 0.00 H +ATOM 2266 OG1 THR A 143 38.108 16.952 2.212 1.00 0.00 O +ATOM 2267 HG1 THR A 143 37.634 17.451 1.525 1.00 0.00 H +ATOM 2268 N PRO A 144 40.673 17.176 -1.132 1.00 0.00 N +ATOM 2269 CA PRO A 144 40.849 16.180 -2.176 1.00 0.00 C +ATOM 2270 HA PRO A 144 39.864 15.844 -2.502 1.00 0.00 H +ATOM 2271 C PRO A 144 41.654 14.900 -1.835 1.00 0.00 C +ATOM 2272 O PRO A 144 41.303 13.811 -2.251 1.00 0.00 O +ATOM 2273 CB PRO A 144 41.511 16.906 -3.343 1.00 0.00 C +ATOM 2274 HB2 PRO A 144 40.736 17.260 -4.024 1.00 0.00 H +ATOM 2275 HB3 PRO A 144 42.214 16.273 -3.885 1.00 0.00 H +ATOM 2276 CG PRO A 144 42.209 18.111 -2.727 1.00 0.00 C +ATOM 2277 HG2 PRO A 144 43.231 17.837 -2.460 1.00 0.00 H +ATOM 2278 HG3 PRO A 144 42.215 18.962 -3.410 1.00 0.00 H +ATOM 2279 CD PRO A 144 41.437 18.425 -1.462 1.00 0.00 C +ATOM 2280 HD2 PRO A 144 42.121 18.714 -0.663 1.00 0.00 H +ATOM 2281 HD3 PRO A 144 40.737 19.233 -1.676 1.00 0.00 H +ATOM 2282 N ASN A 145 42.799 15.005 -1.150 1.00 0.00 N +ATOM 2283 H ASN A 145 43.137 15.912 -0.866 1.00 0.00 H +ATOM 2284 CA ASN A 145 43.556 13.795 -0.855 1.00 0.00 C +ATOM 2285 HA ASN A 145 43.707 13.248 -1.789 1.00 0.00 H +ATOM 2286 C ASN A 145 42.808 12.837 0.071 1.00 0.00 C +ATOM 2287 O ASN A 145 42.831 11.641 -0.107 1.00 0.00 O +ATOM 2288 CB ASN A 145 44.967 14.078 -0.267 1.00 0.00 C +ATOM 2289 HB2 ASN A 145 44.865 14.689 0.629 1.00 0.00 H +ATOM 2290 HB3 ASN A 145 45.431 13.133 0.016 1.00 0.00 H +ATOM 2291 CG ASN A 145 45.926 14.771 -1.247 1.00 0.00 C +ATOM 2292 ND2 ASN A 145 46.778 15.613 -0.724 1.00 0.00 N +ATOM 2293 HD21 ASN A 145 46.818 15.792 0.262 1.00 0.00 H +ATOM 2294 HD22 ASN A 145 47.441 16.023 -1.362 1.00 0.00 H +ATOM 2295 OD1 ASN A 145 45.945 14.546 -2.466 1.00 0.00 O +ATOM 2296 N ARG A 146 42.186 13.392 1.093 1.00 0.00 N +ATOM 2297 H ARG A 146 42.151 14.396 1.186 1.00 0.00 H +ATOM 2298 CA ARG A 146 41.428 12.546 1.974 1.00 0.00 C +ATOM 2299 HA ARG A 146 42.018 11.687 2.301 1.00 0.00 H +ATOM 2300 C ARG A 146 40.192 11.985 1.244 1.00 0.00 C +ATOM 2301 O ARG A 146 39.849 10.821 1.353 1.00 0.00 O +ATOM 2302 CB ARG A 146 40.979 13.333 3.175 1.00 0.00 C +ATOM 2303 HB2 ARG A 146 41.841 13.574 3.800 1.00 0.00 H +ATOM 2304 HB3 ARG A 146 40.482 14.254 2.862 1.00 0.00 H +ATOM 2305 CG ARG A 146 39.990 12.467 3.950 1.00 0.00 C +ATOM 2306 HG2 ARG A 146 40.485 11.537 4.241 1.00 0.00 H +ATOM 2307 HG3 ARG A 146 39.090 12.235 3.381 1.00 0.00 H +ATOM 2308 CD ARG A 146 39.503 13.164 5.172 1.00 0.00 C +ATOM 2309 HD2 ARG A 146 40.401 13.565 5.649 1.00 0.00 H +ATOM 2310 HD3 ARG A 146 38.840 13.983 4.883 1.00 0.00 H +ATOM 2311 NE ARG A 146 38.826 12.261 6.058 1.00 0.00 N +ATOM 2312 HE ARG A 146 38.459 11.366 5.766 1.00 0.00 H +ATOM 2313 CZ ARG A 146 38.629 12.673 7.282 1.00 0.00 C +ATOM 2314 NH1 ARG A 146 39.095 13.860 7.620 1.00 0.00 N +ATOM 2315 HH11 ARG A 146 38.984 14.130 8.607 1.00 0.00 H +ATOM 2316 HH12 ARG A 146 39.684 14.393 7.023 1.00 0.00 H +ATOM 2317 NH2 ARG A 146 38.012 11.926 8.174 1.00 0.00 N +ATOM 2318 HH21 ARG A 146 37.531 11.083 7.876 1.00 0.00 H +ATOM 2319 HH22 ARG A 146 37.950 12.304 9.116 1.00 0.00 H +ATOM 2320 N ALA A 147 39.499 12.858 0.516 1.00 0.00 N +ATOM 2321 H ALA A 147 39.738 13.843 0.508 1.00 0.00 H +ATOM 2322 CA ALA A 147 38.337 12.409 -0.243 1.00 0.00 C +ATOM 2323 HA ALA A 147 37.571 12.056 0.449 1.00 0.00 H +ATOM 2324 C ALA A 147 38.711 11.249 -1.164 1.00 0.00 C +ATOM 2325 O ALA A 147 38.004 10.253 -1.233 1.00 0.00 O +ATOM 2326 CB ALA A 147 37.757 13.567 -1.063 1.00 0.00 C +ATOM 2327 HB1 ALA A 147 36.859 13.226 -1.579 1.00 0.00 H +ATOM 2328 HB2 ALA A 147 38.486 13.933 -1.786 1.00 0.00 H +ATOM 2329 HB3 ALA A 147 37.473 14.379 -0.391 1.00 0.00 H +ATOM 2330 N LYS A 148 39.833 11.397 -1.895 1.00 0.00 N +ATOM 2331 H LYS A 148 40.326 12.284 -1.848 1.00 0.00 H +ATOM 2332 CA LYS A 148 40.311 10.381 -2.802 1.00 0.00 C +ATOM 2333 HA LYS A 148 39.579 10.208 -3.593 1.00 0.00 H +ATOM 2334 C LYS A 148 40.505 9.058 -2.106 1.00 0.00 C +ATOM 2335 O LYS A 148 40.250 7.993 -2.676 1.00 0.00 O +ATOM 2336 CB LYS A 148 41.649 10.731 -3.384 1.00 0.00 C +ATOM 2337 HB2 LYS A 148 42.256 9.837 -3.550 1.00 0.00 H +ATOM 2338 HB3 LYS A 148 42.191 11.358 -2.676 1.00 0.00 H +ATOM 2339 CG LYS A 148 41.498 11.406 -4.714 1.00 0.00 C +ATOM 2340 HG2 LYS A 148 41.361 10.666 -5.504 1.00 0.00 H +ATOM 2341 HG3 LYS A 148 40.594 12.010 -4.663 1.00 0.00 H +ATOM 2342 CD LYS A 148 42.645 12.334 -5.052 1.00 0.00 C +ATOM 2343 HD2 LYS A 148 43.143 12.664 -4.139 1.00 0.00 H +ATOM 2344 HD3 LYS A 148 43.372 11.807 -5.672 1.00 0.00 H +ATOM 2345 CE LYS A 148 42.130 13.565 -5.758 1.00 0.00 C +ATOM 2346 HE2 LYS A 148 41.364 14.022 -5.121 1.00 0.00 H +ATOM 2347 HE3 LYS A 148 41.644 13.247 -6.683 1.00 0.00 H +ATOM 2348 NZ LYS A 148 43.173 14.548 -6.053 1.00 0.00 N +ATOM 2349 HZ1 LYS A 148 42.770 15.362 -6.499 1.00 0.00 H +ATOM 2350 HZ2 LYS A 148 43.641 14.830 -5.200 1.00 0.00 H +ATOM 2351 HZ3 LYS A 148 43.866 14.146 -6.672 1.00 0.00 H +ATOM 2352 N ARG A 149 41.020 9.142 -0.888 1.00 0.00 N +ATOM 2353 H ARG A 149 41.249 10.050 -0.501 1.00 0.00 H +ATOM 2354 CA ARG A 149 41.256 7.910 -0.098 1.00 0.00 C +ATOM 2355 HA ARG A 149 41.825 7.213 -0.714 1.00 0.00 H +ATOM 2356 C ARG A 149 39.972 7.156 0.231 1.00 0.00 C +ATOM 2357 O ARG A 149 39.879 5.947 0.022 1.00 0.00 O +ATOM 2358 CB ARG A 149 42.067 8.179 1.172 1.00 0.00 C +ATOM 2359 HB2 ARG A 149 41.710 9.080 1.670 1.00 0.00 H +ATOM 2360 HB3 ARG A 149 41.911 7.338 1.845 1.00 0.00 H +ATOM 2361 CG ARG A 149 43.579 8.274 0.901 1.00 0.00 C +ATOM 2362 HG2 ARG A 149 43.915 7.468 0.255 1.00 0.00 H +ATOM 2363 HG3 ARG A 149 43.790 9.212 0.389 1.00 0.00 H +ATOM 2364 CD ARG A 149 44.356 8.219 2.187 1.00 0.00 C +ATOM 2365 HD2 ARG A 149 45.425 8.232 1.968 1.00 0.00 H +ATOM 2366 HD3 ARG A 149 44.152 7.259 2.668 1.00 0.00 H +ATOM 2367 NE ARG A 149 43.993 9.279 3.111 1.00 0.00 N +ATOM 2368 HE ARG A 149 43.331 9.100 3.868 1.00 0.00 H +ATOM 2369 CZ ARG A 149 44.576 10.492 3.105 1.00 0.00 C +ATOM 2370 NH1 ARG A 149 45.526 10.790 2.217 1.00 0.00 N +ATOM 2371 HH11 ARG A 149 46.007 11.663 2.267 1.00 0.00 H +ATOM 2372 HH12 ARG A 149 45.789 10.083 1.556 1.00 0.00 H +ATOM 2373 NH2 ARG A 149 44.267 11.453 3.956 1.00 0.00 N +ATOM 2374 HH21 ARG A 149 43.638 11.138 4.705 1.00 0.00 H +ATOM 2375 HH22 ARG A 149 44.830 12.268 4.077 1.00 0.00 H +ATOM 2376 N VAL A 150 39.006 7.916 0.726 1.00 0.00 N +ATOM 2377 H VAL A 150 39.207 8.897 0.897 1.00 0.00 H +ATOM 2378 CA VAL A 150 37.687 7.382 1.085 1.00 0.00 C +ATOM 2379 HA VAL A 150 37.817 6.560 1.790 1.00 0.00 H +ATOM 2380 C VAL A 150 36.948 6.824 -0.118 1.00 0.00 C +ATOM 2381 O VAL A 150 36.341 5.749 -0.033 1.00 0.00 O +ATOM 2382 CB VAL A 150 36.847 8.463 1.753 1.00 0.00 C +ATOM 2383 HB VAL A 150 36.818 9.360 1.134 1.00 0.00 H +ATOM 2384 CG1 VAL A 150 35.424 7.960 1.980 1.00 0.00 C +ATOM 2385 HG11 VAL A 150 34.871 8.716 2.536 1.00 0.00 H +ATOM 2386 HG12 VAL A 150 35.446 7.048 2.573 1.00 0.00 H +ATOM 2387 HG13 VAL A 150 34.894 7.792 1.044 1.00 0.00 H +ATOM 2388 CG2 VAL A 150 37.504 8.786 3.098 1.00 0.00 C +ATOM 2389 HG21 VAL A 150 37.536 7.898 3.731 1.00 0.00 H +ATOM 2390 HG22 VAL A 150 36.928 9.558 3.609 1.00 0.00 H +ATOM 2391 HG23 VAL A 150 38.519 9.160 2.966 1.00 0.00 H +ATOM 2392 N ILE A 151 36.998 7.593 -1.217 1.00 0.00 N +ATOM 2393 H ILE A 151 37.460 8.497 -1.153 1.00 0.00 H +ATOM 2394 CA ILE A 151 36.363 7.232 -2.481 1.00 0.00 C +ATOM 2395 HA ILE A 151 35.318 7.001 -2.271 1.00 0.00 H +ATOM 2396 C ILE A 151 36.956 5.957 -3.081 1.00 0.00 C +ATOM 2397 O ILE A 151 36.265 5.136 -3.657 1.00 0.00 O +ATOM 2398 CB ILE A 151 36.376 8.373 -3.523 1.00 0.00 C +ATOM 2399 HB ILE A 151 37.393 8.761 -3.601 1.00 0.00 H +ATOM 2400 CG1 ILE A 151 35.440 9.507 -3.098 1.00 0.00 C +ATOM 2401 HG12 ILE A 151 35.663 9.791 -2.071 1.00 0.00 H +ATOM 2402 HG13 ILE A 151 34.406 9.166 -3.127 1.00 0.00 H +ATOM 2403 CG2 ILE A 151 35.955 7.838 -4.912 1.00 0.00 C +ATOM 2404 HG21 ILE A 151 36.722 7.187 -5.330 1.00 0.00 H +ATOM 2405 HG22 ILE A 151 35.826 8.648 -5.628 1.00 0.00 H +ATOM 2406 HG23 ILE A 151 35.015 7.293 -4.828 1.00 0.00 H +ATOM 2407 CD1 ILE A 151 35.583 10.748 -3.955 1.00 0.00 C +ATOM 2408 HD11 ILE A 151 35.166 10.592 -4.949 1.00 0.00 H +ATOM 2409 HD12 ILE A 151 35.034 11.566 -3.488 1.00 0.00 H +ATOM 2410 HD13 ILE A 151 36.633 11.032 -4.033 1.00 0.00 H +ATOM 2411 N THR A 152 38.285 5.807 -2.947 1.00 0.00 N +ATOM 2412 H THR A 152 38.843 6.555 -2.546 1.00 0.00 H +ATOM 2413 CA THR A 152 38.929 4.612 -3.475 1.00 0.00 C +ATOM 2414 HA THR A 152 38.639 4.461 -4.514 1.00 0.00 H +ATOM 2415 C THR A 152 38.485 3.410 -2.696 1.00 0.00 C +ATOM 2416 O THR A 152 38.340 2.316 -3.234 1.00 0.00 O +ATOM 2417 CB THR A 152 40.462 4.709 -3.403 1.00 0.00 C +ATOM 2418 HB THR A 152 40.769 5.124 -2.442 1.00 0.00 H +ATOM 2419 CG2 THR A 152 41.101 3.322 -3.569 1.00 0.00 C +ATOM 2420 HG21 THR A 152 42.171 3.449 -3.734 1.00 0.00 H +ATOM 2421 HG22 THR A 152 40.677 2.810 -4.432 1.00 0.00 H +ATOM 2422 HG23 THR A 152 40.981 2.723 -2.666 1.00 0.00 H +ATOM 2423 OG1 THR A 152 40.912 5.546 -4.438 1.00 0.00 O +ATOM 2424 HG1 THR A 152 40.798 6.454 -4.123 1.00 0.00 H +ATOM 2425 N THR A 153 38.288 3.651 -1.405 1.00 0.00 N +ATOM 2426 H THR A 153 38.434 4.580 -1.033 1.00 0.00 H +ATOM 2427 CA THR A 153 37.808 2.598 -0.543 1.00 0.00 C +ATOM 2428 HA THR A 153 38.472 1.733 -0.613 1.00 0.00 H +ATOM 2429 C THR A 153 36.403 2.148 -0.958 1.00 0.00 C +ATOM 2430 O THR A 153 36.084 0.971 -0.905 1.00 0.00 O +ATOM 2431 CB THR A 153 37.837 3.101 0.909 1.00 0.00 C +ATOM 2432 HB THR A 153 37.177 3.943 1.064 1.00 0.00 H +ATOM 2433 CG2 THR A 153 37.421 1.998 1.833 1.00 0.00 C +ATOM 2434 HG21 THR A 153 37.518 2.338 2.864 1.00 0.00 H +ATOM 2435 HG22 THR A 153 36.386 1.706 1.662 1.00 0.00 H +ATOM 2436 HG23 THR A 153 38.075 1.136 1.691 1.00 0.00 H +ATOM 2437 OG1 THR A 153 39.170 3.468 1.218 1.00 0.00 O +ATOM 2438 HG1 THR A 153 39.401 4.286 0.745 1.00 0.00 H +ATOM 2439 N PHE A 154 35.561 3.099 -1.354 1.00 0.00 N +ATOM 2440 H PHE A 154 35.818 4.075 -1.266 1.00 0.00 H +ATOM 2441 CA PHE A 154 34.211 2.735 -1.737 1.00 0.00 C +ATOM 2442 HA PHE A 154 33.785 2.044 -1.011 1.00 0.00 H +ATOM 2443 C PHE A 154 34.265 2.021 -3.080 1.00 0.00 C +ATOM 2444 O PHE A 154 33.509 1.088 -3.357 1.00 0.00 O +ATOM 2445 CB PHE A 154 33.301 3.984 -1.834 1.00 0.00 C +ATOM 2446 HB2 PHE A 154 32.516 3.769 -2.561 1.00 0.00 H +ATOM 2447 HB3 PHE A 154 33.879 4.812 -2.247 1.00 0.00 H +ATOM 2448 CG PHE A 154 32.587 4.438 -0.575 1.00 0.00 C +ATOM 2449 CD1 PHE A 154 31.723 3.604 0.135 1.00 0.00 C +ATOM 2450 HD1 PHE A 154 31.566 2.590 -0.202 1.00 0.00 H +ATOM 2451 CD2 PHE A 154 32.726 5.755 -0.118 1.00 0.00 C +ATOM 2452 HD2 PHE A 154 33.374 6.434 -0.652 1.00 0.00 H +ATOM 2453 CE1 PHE A 154 31.067 4.048 1.289 1.00 0.00 C +ATOM 2454 HE1 PHE A 154 30.420 3.374 1.833 1.00 0.00 H +ATOM 2455 CE2 PHE A 154 32.056 6.221 1.014 1.00 0.00 C +ATOM 2456 HE2 PHE A 154 32.199 7.238 1.342 1.00 0.00 H +ATOM 2457 CZ PHE A 154 31.230 5.357 1.739 1.00 0.00 C +ATOM 2458 HZ PHE A 154 30.698 5.713 2.605 1.00 0.00 H +ATOM 2459 N ARG A 155 35.175 2.493 -3.923 1.00 0.00 N +ATOM 2460 H ARG A 155 35.696 3.326 -3.665 1.00 0.00 H +ATOM 2461 CA ARG A 155 35.316 1.938 -5.264 1.00 0.00 C +ATOM 2462 HA ARG A 155 34.320 1.899 -5.700 1.00 0.00 H +ATOM 2463 C ARG A 155 35.841 0.525 -5.288 1.00 0.00 C +ATOM 2464 O ARG A 155 35.346 -0.291 -6.046 1.00 0.00 O +ATOM 2465 CB ARG A 155 36.171 2.777 -6.208 1.00 0.00 C +ATOM 2466 HB2 ARG A 155 37.220 2.601 -5.968 1.00 0.00 H +ATOM 2467 HB3 ARG A 155 35.960 3.831 -6.024 1.00 0.00 H +ATOM 2468 CG ARG A 155 35.875 2.497 -7.685 1.00 0.00 C +ATOM 2469 HG2 ARG A 155 34.831 2.726 -7.902 1.00 0.00 H +ATOM 2470 HG3 ARG A 155 36.034 1.439 -7.890 1.00 0.00 H +ATOM 2471 CD ARG A 155 36.773 3.294 -8.644 1.00 0.00 C +ATOM 2472 HD2 ARG A 155 36.375 4.308 -8.713 1.00 0.00 H +ATOM 2473 HD3 ARG A 155 36.715 2.854 -9.644 1.00 0.00 H +ATOM 2474 NE ARG A 155 38.150 3.369 -8.173 1.00 0.00 N +ATOM 2475 HE ARG A 155 38.424 4.219 -7.712 1.00 0.00 H +ATOM 2476 CZ ARG A 155 39.087 2.432 -8.340 1.00 0.00 C +ATOM 2477 NH1 ARG A 155 38.849 1.282 -8.972 1.00 0.00 N +ATOM 2478 HH11 ARG A 155 39.570 0.605 -9.127 1.00 0.00 H +ATOM 2479 HH12 ARG A 155 37.935 1.139 -9.384 1.00 0.00 H +ATOM 2480 NH2 ARG A 155 40.308 2.659 -7.859 1.00 0.00 N +ATOM 2481 HH21 ARG A 155 40.515 3.520 -7.381 1.00 0.00 H +ATOM 2482 HH22 ARG A 155 41.025 1.967 -7.974 1.00 0.00 H +ATOM 2483 N THR A 156 36.868 0.249 -4.474 1.00 0.00 N +ATOM 2484 H THR A 156 37.248 0.987 -3.895 1.00 0.00 H +ATOM 2485 CA THR A 156 37.514 -1.057 -4.507 1.00 0.00 C +ATOM 2486 HA THR A 156 37.321 -1.550 -5.460 1.00 0.00 H +ATOM 2487 C THR A 156 37.109 -1.998 -3.451 1.00 0.00 C +ATOM 2488 O THR A 156 37.295 -3.180 -3.598 1.00 0.00 O +ATOM 2489 CB THR A 156 39.032 -0.961 -4.347 1.00 0.00 C +ATOM 2490 HB THR A 156 39.481 -1.949 -4.449 1.00 0.00 H +ATOM 2491 CG2 THR A 156 39.573 -0.071 -5.439 1.00 0.00 C +ATOM 2492 HG21 THR A 156 40.384 0.539 -5.043 1.00 0.00 H +ATOM 2493 HG22 THR A 156 39.990 -0.709 -6.218 1.00 0.00 H +ATOM 2494 HG23 THR A 156 38.836 0.581 -5.901 1.00 0.00 H +ATOM 2495 OG1 THR A 156 39.358 -0.446 -3.069 1.00 0.00 O +ATOM 2496 HG1 THR A 156 39.228 0.512 -3.083 1.00 0.00 H +ATOM 2497 N GLY A 157 36.709 -1.480 -2.340 1.00 0.00 N +ATOM 2498 H GLY A 157 36.643 -0.481 -2.190 1.00 0.00 H +ATOM 2499 CA GLY A 157 36.367 -2.395 -1.287 1.00 0.00 C +ATOM 2500 HA2 GLY A 157 35.774 -1.860 -0.545 1.00 0.00 H +ATOM 2501 HA3 GLY A 157 35.775 -3.229 -1.663 1.00 0.00 H +ATOM 2502 C GLY A 157 37.593 -2.959 -0.568 1.00 0.00 C +ATOM 2503 O GLY A 157 37.469 -3.915 0.180 1.00 0.00 O +ATOM 2504 N THR A 158 38.775 -2.357 -0.740 1.00 0.00 N +ATOM 2505 H THR A 158 38.845 -1.574 -1.381 1.00 0.00 H +ATOM 2506 CA THR A 158 40.024 -2.765 -0.073 1.00 0.00 C +ATOM 2507 HA THR A 158 39.890 -3.622 0.586 1.00 0.00 H +ATOM 2508 C THR A 158 40.621 -1.575 0.664 1.00 0.00 C +ATOM 2509 O THR A 158 40.224 -0.442 0.457 1.00 0.00 O +ATOM 2510 CB THR A 158 41.070 -3.045 -1.157 1.00 0.00 C +ATOM 2511 HB THR A 158 41.969 -3.481 -0.720 1.00 0.00 H +ATOM 2512 CG2 THR A 158 40.476 -3.995 -2.198 1.00 0.00 C +ATOM 2513 HG21 THR A 158 40.015 -4.853 -1.707 1.00 0.00 H +ATOM 2514 HG22 THR A 158 39.741 -3.493 -2.820 1.00 0.00 H +ATOM 2515 HG23 THR A 158 41.278 -4.350 -2.845 1.00 0.00 H +ATOM 2516 OG1 THR A 158 41.373 -1.781 -1.765 1.00 0.00 O +ATOM 2517 HG1 THR A 158 41.874 -1.972 -2.572 1.00 0.00 H +ATOM 2518 N TRP A 159 41.661 -1.801 1.418 1.00 0.00 N +ATOM 2519 H TRP A 159 41.929 -2.751 1.605 1.00 0.00 H +ATOM 2520 CA TRP A 159 42.283 -0.731 2.135 1.00 0.00 C +ATOM 2521 HA TRP A 159 41.599 0.101 2.320 1.00 0.00 H +ATOM 2522 C TRP A 159 43.479 -0.236 1.389 1.00 0.00 C +ATOM 2523 O TRP A 159 44.382 0.363 1.962 1.00 0.00 O +ATOM 2524 CB TRP A 159 42.833 -1.262 3.462 1.00 0.00 C +ATOM 2525 HB2 TRP A 159 43.493 -2.106 3.269 1.00 0.00 H +ATOM 2526 HB3 TRP A 159 43.405 -0.488 3.976 1.00 0.00 H +ATOM 2527 CG TRP A 159 41.789 -1.694 4.431 1.00 0.00 C +ATOM 2528 CD1 TRP A 159 41.561 -2.966 4.825 1.00 0.00 C +ATOM 2529 HD1 TRP A 159 42.091 -3.835 4.457 1.00 0.00 H +ATOM 2530 CD2 TRP A 159 40.905 -0.874 5.208 1.00 0.00 C +ATOM 2531 CE2 TRP A 159 40.166 -1.732 6.038 1.00 0.00 C +ATOM 2532 CE3 TRP A 159 40.703 0.493 5.285 1.00 0.00 C +ATOM 2533 HE3 TRP A 159 41.273 1.179 4.676 1.00 0.00 H +ATOM 2534 NE1 TRP A 159 40.584 -3.000 5.776 1.00 0.00 N +ATOM 2535 HE1 TRP A 159 40.269 -3.832 6.258 1.00 0.00 H +ATOM 2536 CZ2 TRP A 159 39.195 -1.264 6.923 1.00 0.00 C +ATOM 2537 HZ2 TRP A 159 38.639 -1.946 7.549 1.00 0.00 H +ATOM 2538 CZ3 TRP A 159 39.771 0.948 6.186 1.00 0.00 C +ATOM 2539 HZ3 TRP A 159 39.617 2.012 6.278 1.00 0.00 H +ATOM 2540 CH2 TRP A 159 38.999 0.082 6.984 1.00 0.00 C +ATOM 2541 HH2 TRP A 159 38.301 0.490 7.694 1.00 0.00 H +ATOM 2542 N ASP A 160 43.506 -0.457 0.122 1.00 0.00 N +ATOM 2543 H ASP A 160 42.704 -0.848 -0.368 1.00 0.00 H +ATOM 2544 CA ASP A 160 44.676 -0.042 -0.592 1.00 0.00 C +ATOM 2545 HA ASP A 160 45.523 -0.569 -0.193 1.00 0.00 H +ATOM 2546 C ASP A 160 45.090 1.421 -0.490 1.00 0.00 C +ATOM 2547 O ASP A 160 46.279 1.716 -0.581 1.00 0.00 O +ATOM 2548 CB ASP A 160 44.603 -0.446 -2.041 1.00 0.00 C +ATOM 2549 HB2 ASP A 160 45.487 -0.068 -2.557 1.00 0.00 H +ATOM 2550 HB3 ASP A 160 43.728 0.024 -2.496 1.00 0.00 H +ATOM 2551 CG ASP A 160 44.547 -1.928 -2.276 1.00 0.00 C +ATOM 2552 OD1 ASP A 160 45.074 -2.648 -1.312 1.00 0.00 O +ATOM 2553 OD2 ASP A 160 44.111 -2.414 -3.292 1.00 0.00 O +ATOM 2554 N ALA A 161 44.156 2.338 -0.362 1.00 0.00 N +ATOM 2555 H ALA A 161 43.189 2.051 -0.347 1.00 0.00 H +ATOM 2556 CA ALA A 161 44.485 3.754 -0.334 1.00 0.00 C +ATOM 2557 HA ALA A 161 45.148 4.002 -1.165 1.00 0.00 H +ATOM 2558 C ALA A 161 45.196 4.114 0.933 1.00 0.00 C +ATOM 2559 O ALA A 161 45.815 5.163 1.079 1.00 0.00 O +ATOM 2560 CB ALA A 161 43.212 4.602 -0.431 1.00 0.00 C +ATOM 2561 HB1 ALA A 161 43.084 4.939 -1.460 1.00 0.00 H +ATOM 2562 HB2 ALA A 161 43.252 5.461 0.230 1.00 0.00 H +ATOM 2563 HB3 ALA A 161 42.343 4.013 -0.132 1.00 0.00 H +ATOM 2564 N TYR A 162 45.061 3.229 1.885 1.00 0.00 N +ATOM 2565 H TYR A 162 44.559 2.366 1.726 1.00 0.00 H +ATOM 2566 CA TYR A 162 45.621 3.490 3.172 1.00 0.00 C +ATOM 2567 HA TYR A 162 45.913 4.535 3.284 1.00 0.00 H +ATOM 2568 C TYR A 162 46.856 2.700 3.386 1.00 0.00 C +ATOM 2569 O TYR A 162 47.417 2.722 4.476 1.00 0.00 O +ATOM 2570 CB TYR A 162 44.647 3.185 4.314 1.00 0.00 C +ATOM 2571 HB2 TYR A 162 45.158 3.190 5.277 1.00 0.00 H +ATOM 2572 HB3 TYR A 162 44.198 2.200 4.174 1.00 0.00 H +ATOM 2573 CG TYR A 162 43.587 4.231 4.362 1.00 0.00 C +ATOM 2574 CD1 TYR A 162 42.506 4.142 3.488 1.00 0.00 C +ATOM 2575 HD1 TYR A 162 42.415 3.295 2.824 1.00 0.00 H +ATOM 2576 CD2 TYR A 162 43.718 5.329 5.208 1.00 0.00 C +ATOM 2577 HD2 TYR A 162 44.567 5.411 5.871 1.00 0.00 H +ATOM 2578 CE1 TYR A 162 41.511 5.113 3.486 1.00 0.00 C +ATOM 2579 HE1 TYR A 162 40.658 5.041 2.829 1.00 0.00 H +ATOM 2580 CE2 TYR A 162 42.733 6.318 5.208 1.00 0.00 C +ATOM 2581 HE2 TYR A 162 42.804 7.165 5.877 1.00 0.00 H +ATOM 2582 CZ TYR A 162 41.642 6.198 4.343 1.00 0.00 C +ATOM 2583 OH TYR A 162 40.686 7.175 4.344 1.00 0.00 O +ATOM 2584 HH TYR A 162 40.804 7.830 5.068 1.00 0.00 H +ATOM 2585 N LYS A 163 47.298 1.997 2.362 1.00 0.00 N +ATOM 2586 H LYS A 163 46.805 2.016 1.477 1.00 0.00 H +ATOM 2587 CA LYS A 163 48.508 1.230 2.531 1.00 0.00 C +ATOM 2588 HA LYS A 163 48.865 1.291 3.561 1.00 0.00 H +ATOM 2589 C LYS A 163 49.647 1.863 1.769 1.00 0.00 C +ATOM 2590 O LYS A 163 50.757 2.016 2.340 1.00 0.00 O +ATOM 2591 CB LYS A 163 48.368 -0.254 2.273 1.00 0.00 C +ATOM 2592 HB2 LYS A 163 47.987 -0.305 1.260 1.00 0.00 H +ATOM 2593 HB3 LYS A 163 49.352 -0.726 2.289 1.00 0.00 H +ATOM 2594 CG LYS A 163 47.496 -0.917 3.341 1.00 0.00 C +ATOM 2595 HG2 LYS A 163 46.755 -0.201 3.699 1.00 0.00 H +ATOM 2596 HG3 LYS A 163 48.116 -1.188 4.197 1.00 0.00 H +ATOM 2597 CD LYS A 163 46.720 -2.138 2.861 1.00 0.00 C +ATOM 2598 HD2 LYS A 163 47.146 -3.026 3.330 1.00 0.00 H +ATOM 2599 HD3 LYS A 163 45.698 -2.036 3.217 1.00 0.00 H +ATOM 2600 CE LYS A 163 46.717 -2.350 1.344 1.00 0.00 C +ATOM 2601 HE2 LYS A 163 46.594 -1.392 0.859 1.00 0.00 H +ATOM 2602 HE3 LYS A 163 47.692 -2.747 1.045 1.00 0.00 H +ATOM 2603 NZ LYS A 163 45.641 -3.237 0.865 1.00 0.00 N +ATOM 2604 HZ1 LYS A 163 45.823 -3.465 -0.113 1.00 0.00 H +ATOM 2605 HZ2 LYS A 163 44.770 -2.734 0.742 1.00 0.00 H +ATOM 2606 HZ3 LYS A 163 45.553 -4.091 1.388 1.00 0.00 H +HETATM 2607 N NME A 164 49.484 2.242 0.547 1.00 0.00 N +HETATM 2608 C NME A 164 50.586 2.850 -0.178 1.00 0.00 C +HETATM 2609 H NME A 164 48.590 2.116 0.094 1.00 0.00 H +HETATM 2610 H1 NME A 164 50.650 3.901 0.060 1.00 0.00 H +HETATM 2611 H2 NME A 164 51.517 2.373 0.095 1.00 0.00 H +HETATM 2612 H3 NME A 164 50.434 2.740 -1.242 1.00 0.00 H +TER 2613 NME A 164 +CONECT 1 3 2 7 +CONECT 2 1 +CONECT 3 1 4 5 6 +CONECT 4 3 +CONECT 5 3 +CONECT 6 3 +CONECT 7 1 +CONECT 2589 2607 +CONECT 2607 2589 2608 2609 +CONECT 2608 2610 2611 2612 2607 +CONECT 2609 2607 +CONECT 2610 2608 +CONECT 2611 2608 +CONECT 2612 2608 +END \ No newline at end of file diff --git a/openmm_md/assets/t4lyso.png b/openmm_md/assets/t4lyso.png new file mode 100644 index 0000000..4c6297c Binary files /dev/null and b/openmm_md/assets/t4lyso.png differ diff --git a/openmm_md/plain_md.ipynb b/openmm_md/plain_md.ipynb new file mode 100644 index 0000000..ab17e76 --- /dev/null +++ b/openmm_md/plain_md.ipynb @@ -0,0 +1,429 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "088a1bc4-e5f3-47ac-8ebf-1a904fa82f80", + "metadata": { + "editable": true, + "nbsphinx": "hidden", + "slideshow": { + "slide_type": "" + }, + "tags": [] + }, + "source": [ + "# Running a Molecular Dynamics (MD) simulation of a protein-ligand complex" + ] + }, + { + "cell_type": "markdown", + "id": "7266db2c-37e5-419a-9015-929ea1635d98", + "metadata": {}, + "source": [ + "In this notebook we run an MD simulation of benzene bound to T4-lysozyme L99A.", + "![image](assets/t4lyso.png)" + ] + }, + { + "cell_type": "markdown", + "id": "00d9ca69-1b38-4cf8-9c93-1fc4c08dae15", + "metadata": { + "editable": true, + "nbsphinx": "hidden", + "slideshow": { + "slide_type": "" + }, + "tags": [] + }, + "source": [ + "## On the MD protocol" + ] + }, + { + "cell_type": "markdown", + "id": "8bc61b88-0c8d-4b89-b704-8ac4ade19c6c", + "metadata": { + "editable": true, + "raw_mimetype": "", + "slideshow": { + "slide_type": "" + }, + "tags": [] + }, + "source": [ + "The plain MD protocol allows the user to run an MD simulation either in solvent or vacuum of e.g. a small molecule, a protein, or a protein-ligand complex. Running an MD simulations can be useful for a variety of things, such as pre-equilibration of a protein-ligand complex prior to running free energy calculations or for getting insights into the general dynamics of the system of interest.\n", + "\n", + "The MD protocol uses different software tools in a series of steps and provides multiple outputs for the user:" + ] + }, + { + "cell_type": "markdown", + "id": "1938576f-98a2-42de-b161-3ff221d53c52", + "metadata": {}, + "source": [ + "| **Step** | **Software used** | **Outputs (with default names)** |\n", + "|:----------------------------------------------------|:-----------------------------------|:-----------------------------------------------------------|\n", + "| 1. Input handling using gufe | OpenFE, Gufe, RDKit ||\n", + "| 2. Parameterization using OpenMMForceFields & OpenFF| OpenFE - OpenMMForceFields - OpenFF| Forcefield cache (`db.json`) |\n", + "| 3. OpenMM object creation | OpenFE - OpenMM + OpenMMTools | Structure of the full system (`system.pdb`) |\n", + "| 4. Minimization | OpenFE - OpenMM + OpenMMTools | Minimized Structure (`minimized.pdb`) |\n", + "| 5. NVT equilibration (if not gas phase) | OpenFE - OpenMM + OpenMMTools | NVT equilibrated structure (`equil_nvt.pdb`) |\n", + "| 6. NPT equilibration (if not gas phase) | OpenFE - OpenMM + OpenMMTools | NPT equilibrated structure (`equil_npt.pdb`) |\n", + "| 7. NPT production (if not gas phase) | OpenFE - OpenMM + OpenMMTools | Simulation trajectory (`simulation.xtc`), Checkpoint file (`checkpoint.chk`), Log output (`simulation.log`) |\n" + ] + }, + { + "cell_type": "markdown", + "id": "0eb8203a-650f-4703-b032-dbafb605061b", + "metadata": {}, + "source": [ + "## 1. Defining the ChemicalSystem" + ] + }, + { + "cell_type": "markdown", + "id": "7c477c87-a099-4e4e-9231-fa5edf9f15f4", + "metadata": {}, + "source": [ + "`ChemicalSystems` are OpenFE containers which define the various components which exist in a system of interest. \n", + "Here, we will be passing the `SmallMoleculeComponent` for benzene, a `ProteinComponent` generated from a PDB file, and a `SolventComponent` which will contain the necessary information for OpenMM’s Modeller class to add water and 0.15 M NaCl around the solute." + ] + }, + { + "cell_type": "code", + "execution_count": 1, + "id": "20fc8142-c618-4d50-b903-5a04f6a34d5c", + "metadata": {}, + "outputs": [], + "source": [ + "import openfe\n", + "from openfe import ChemicalSystem, ProteinComponent, SmallMoleculeComponent, SolventComponent\n", + "from openff.units import unit\n", + "\n", + "# Define the ligand we are interested in\n", + "ligand = SmallMoleculeComponent.from_sdf_file('assets/benzene.sdf')\n", + "\n", + "# Define the solvent environment and protein structure\n", + "solvent = SolventComponent(ion_concentration=0.15 * unit.molar)\n", + "protein = ProteinComponent.from_pdb_file('assets/t4_lysozyme.pdb', name='t4-lysozyme')\n", + "\n", + "# create the ChemicalSystem\n", + "system = ChemicalSystem({'ligand': ligand, 'protein': protein, 'solvent': solvent}, name=f\"{ligand.name}_{protein.name}\")" + ] + }, + { + "cell_type": "markdown", + "id": "e936355a-8184-4c7c-8f21-019d60845037", + "metadata": {}, + "source": [ + "## 2. Defining the MD simulation settings" + ] + }, + { + "cell_type": "markdown", + "id": "12ac4696-c8d7-4674-9fc0-c9415c2c888e", + "metadata": {}, + "source": [ + "There are various different parameters which can be set to determine how the MD simulation will take place. To allow for maximum user flexibility, these are defined as a series of settings objects which control the following:\n", + "\n", + "| **Setting** | **Description** |\n", + "|:------------------------------|:-----------------------------------------------------------|\n", + "| `simulation_settings` | Parameters controlling the simulation plan, including the number of `minimization_steps`, the length of the NVT and NPT equilibration (`equilibration_length_nvt` and `equilibration_length`), and the length of the production MD run (`production_length`). |\n", + "| `output_settings` | Parameters controlling the output from the MD simulations, including file names to save the system after minimization, NVT and NPT equilibration, and production run. Special `output_indices` can be defined to select which portions of the system should be saved (default: `not water`). A `trajectory_write_interval` determines the frequency of writing frames to the output trajectory. |\n", + "| `forcefield_settings` | Settings that define the forcefield for the components, including the general `forcefields`, the `small_molecule_forcefield`, the `nonbonded_method`, and the `nonbonded_cutoff`. |\n", + "| `engine_settings` | Parameters determining how the OpenMM engine will execute the simulation. This controls the `compute_platform` which will be used to carry out the simulation. |\n", + "| `integrator_settings` | Parameters controlling the LangevinSplittingDynamicsMove integrator used for simulation, as well as the `barostat_frequency`. |\n", + "| `partial_charge_settings` | Settings that define which method is used for assigning partial charges. |\n", + "| `protocol_repeats` | Defines how often to run the MD protocol. |\n", + "| `solvation_settings` | Parameters to control the `solvent_model` and the `solvent_padding`. |\n", + "| `thermo_settings` | Parameters to control e.g. the `temperature` and the `pressure` of the system. |\n", + "\n", + "The easiest way to access and change settings is by first importing the default settings, printing them and then changing the settings according to the user's needs." + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "id": "b27e54cc-fd6a-4afc-ab22-4dde0561938c", + "metadata": {}, + "outputs": [], + "source": [ + "from openfe.protocols.openmm_md.plain_md_methods import PlainMDProtocol\n", + "from openff.units import unit\n", + "\n", + "settings = PlainMDProtocol.default_settings()\n", + "settings.simulation_settings.equilibration_length_nvt = 0.01 * unit.nanosecond # setting the nvt equilibration length to 10 ps\n", + "settings.simulation_settings.equilibration_length = 0.01 * unit.nanosecond # setting the npt equilibration length to 10 ps\n", + "settings.simulation_settings.production_length = 0.01 * unit.nanosecond # setting the npt production length to 10 ps\n", + "settings.engine_settings.compute_platform = 'CPU' # running the simulation on the cpu" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "id": "b69668c9-2e74-421e-a9ea-b7f3bc6c6e5a", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "{'engine_settings': {'compute_platform': 'CPU'},\n", + " 'forcefield_settings': {'constraints': 'hbonds',\n", + " 'forcefields': ['amber/ff14SB.xml',\n", + " 'amber/tip3p_standard.xml',\n", + " 'amber/tip3p_HFE_multivalent.xml',\n", + " 'amber/phosaa10.xml'],\n", + " 'hydrogen_mass': 3.0,\n", + " 'nonbonded_cutoff': ,\n", + " 'nonbonded_method': 'PME',\n", + " 'rigid_water': True,\n", + " 'small_molecule_forcefield': 'openff-2.0.0'},\n", + " 'integrator_settings': {'barostat_frequency': ,\n", + " 'constraint_tolerance': 1e-06,\n", + " 'langevin_collision_rate': ,\n", + " 'n_restart_attempts': 20,\n", + " 'reassign_velocities': False,\n", + " 'remove_com': False,\n", + " 'timestep': },\n", + " 'output_settings': {'checkpoint_interval': ,\n", + " 'checkpoint_storage_filename': 'checkpoint.chk',\n", + " 'equil_npt_structure': 'equil_npt.pdb',\n", + " 'equil_nvt_structure': 'equil_nvt.pdb',\n", + " 'forcefield_cache': 'db.json',\n", + " 'log_output': 'simulation.log',\n", + " 'minimized_structure': 'minimized.pdb',\n", + " 'output_indices': 'not water',\n", + " 'preminimized_structure': 'system.pdb',\n", + " 'production_trajectory_filename': 'simulation.xtc',\n", + " 'trajectory_write_interval': },\n", + " 'partial_charge_settings': {'nagl_model': None,\n", + " 'number_of_conformers': None,\n", + " 'off_toolkit_backend': 'ambertools',\n", + " 'partial_charge_method': 'am1bcc'},\n", + " 'protocol_repeats': 1,\n", + " 'simulation_settings': {'equilibration_length': ,\n", + " 'equilibration_length_nvt': ,\n", + " 'minimization_steps': 5000,\n", + " 'production_length': },\n", + " 'solvation_settings': {'solvent_model': 'tip3p',\n", + " 'solvent_padding': },\n", + " 'thermo_settings': {'ph': None,\n", + " 'pressure': ,\n", + " 'redox_potential': None,\n", + " 'temperature': }}\n" + ] + } + ], + "source": [ + "settings" + ] + }, + { + "cell_type": "markdown", + "id": "c0f9416e-4623-4468-8e05-155c737599e6", + "metadata": {}, + "source": [ + "## 3. Creating a `Protocol`\n", + "\n", + "The actual simulation is performed by a [`Protocol`](https://docs.openfree.energy/en/stable/guide/models/execution.html#protocols-and-the-execution-model). \n", + "\n", + "With the `Settings` inspected and adjusted, we can provide these to the `Protocol`. Here, the OpenMM-based MD Protocol is named `PlainMDProtocol`." + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "id": "3b0f5a26-b23b-4ab2-9f1e-293d98ed5bcd", + "metadata": {}, + "outputs": [], + "source": [ + "# Creating the Protocol\n", + "from openfe.protocols.openmm_md.plain_md_methods import PlainMDProtocol\n", + "protocol = PlainMDProtocol(settings=settings)" + ] + }, + { + "cell_type": "markdown", + "id": "64eaff78-9d15-47c9-8c20-d9ba15449488", + "metadata": {}, + "source": [ + "## 4. Creating the `NonTransformation`\n", + "Once we have the `ChemicalSystem`s, and the `Protocol`, we can create the `NonTransformation`. `NonTransformation` here simply means that the system is not \"transformed\" between two end states as is the case in binding free energy calculations." + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "id": "987cceda-1253-417b-8cca-bc750ac0aa1e", + "metadata": {}, + "outputs": [], + "source": [ + "nontransformation = openfe.NonTransformation(\n", + " system=system,\n", + " protocol=protocol, # use protocol created above\n", + " name=f\"{system.name}\",\n", + ")" + ] + }, + { + "cell_type": "markdown", + "id": "0c6d8278-ddda-4778-902a-18fef9196a07", + "metadata": {}, + "source": [ + "## 5. Running the MD simulation\n", + "There are two ways in which you could execute this MD simulation, either using the OpenFE command-line interface (CLI) or the Python API." + ] + }, + { + "cell_type": "markdown", + "id": "1f61de94-0e10-4353-9fa0-d04bad7117dc", + "metadata": {}, + "source": [ + "**(a) Using the CLI**" + ] + }, + { + "cell_type": "markdown", + "id": "e762a3d5-7de5-4b46-aa34-b4b31feb05d6", + "metadata": {}, + "source": [ + "We'll write out the transformation to disk, so that it can be run using the `openfe quickrun` command:" + ] + }, + { + "cell_type": "code", + "execution_count": 7, + "id": "7689c7ba-39a2-49ea-b82b-e3b198354c5b", + "metadata": {}, + "outputs": [], + "source": [ + "import pathlib\n", + "# first we create the directory\n", + "md_dir = pathlib.Path(\"md_input\")\n", + "md_dir.mkdir(exist_ok=True)\n", + "\n", + "# then we write out the transformation\n", + "nontransformation.dump(md_dir / f\"{nontransformation.name}.json\")" + ] + }, + { + "cell_type": "markdown", + "id": "3fbac123-f73e-450c-82e9-15f0dd4bc7da", + "metadata": {}, + "source": [ + "You can run the MD simulation from the CLI by using the `openfe quickrun` command. It\n", + "takes a transformation JSON as input, and the flags `-o` to give the final\n", + "output JSON file and `-d` for the directory where simulation results should be\n", + "stored. For example,\n", + "\n", + "```bash\n", + "openfe quickrun path/to/nontransformation.json -o results.json -d working-directory\n", + "```\n", + "\n", + "where `path/to/nontransformation.json` is the path to one of the files created above (`md_input/benzene_t4-lysozyme.json`).\n", + "\n", + "**(b) Using the Python API**\n", + "\n", + "Alternatively, the MD simulation can be run by executing the `ProtocolDAG`. The `ProtocolDAG` is created using the `protocol.create()` method and requires as input the `ChemicalSystem`. \n", + "\n", + "Note: we use the ``shared_basedir`` and ``scratch_basedir`` argument of ``execute_DAG`` in order to set the directory where the simulation files are written to." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "544d037d-3a53-4390-91b8-3104c00694f0", + "metadata": { + "editable": true, + "slideshow": { + "slide_type": "" + }, + "tags": [] + }, + "outputs": [], + "source": [ + "import gufe\n", + "import pathlib\n", + "\n", + "# Creating the Protocol\n", + "protocol = PlainMDProtocol(settings=settings)\n", + "# Creating the Protocol DAG\n", + "dag = protocol.create(stateA=system, stateB=system, mapping=None)\n", + "workdir = pathlib.Path('./')\n", + "# Running the MD simulations\n", + "dagres = gufe.protocols.execute_DAG(\n", + " dag,\n", + " shared_basedir=workdir,\n", + " scratch_basedir=workdir,\n", + " keep_shared=True, # set this to True to save the outputs\n", + " n_retries=3\n", + ")" + ] + }, + { + "cell_type": "markdown", + "id": "2d69fb85-d2da-4cb0-9b73-060d684618bb", + "metadata": {}, + "source": [ + "Following files were created for the MD run. Note that ff multiple repeats of the MD simulation were run (`protocol_repeats` > 1), you will get N full replicates of these output files with N being the number of repeats." + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "id": "16fbf816-8d3d-4121-ab0e-5cd7741788d6", + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "checkpoint.chk equil_npt.pdb minimized.pdb simulation.xtc\n", + "db.json equil_nvt.pdb simulation.log system.pdb\n" + ] + } + ], + "source": [ + "!ls shared_PlainMDProtocolUnit-256e9093d8f3443b9949b95e7ddbb64e_attempt_0/" + ] + }, + { + "cell_type": "markdown", + "id": "44ad3ba8-e6f5-456a-ae0e-d2fcb7b8b152", + "metadata": {}, + "source": [ + "### Performance consideration for gas phase MD simulations\n", + "For gas phase MD simulations, we suggest setting `OPENMM_CPU_THREADS` to `1` to obtain good performance." + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.10.13" + }, + "widgets": { + "application/vnd.jupyter.widget-state+json": { + "state": {}, + "version_major": 2, + "version_minor": 0 + } + } + }, + "nbformat": 4, + "nbformat_minor": 5 +}