USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.432 (180deg=-0.691) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 39 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-0.91) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.16) USER MOD Single : A 58 ASN : amide:sc= -0.211 K(o=-0.21,f=-0.81) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.224 -9.258 2.025 1.00 0.00 N ATOM 2 CA MET A 1 -2.120 -9.695 3.446 1.00 0.00 C ATOM 3 C MET A 1 -2.444 -8.545 4.396 1.00 0.00 C ATOM 4 O MET A 1 -3.488 -8.548 5.051 1.00 0.00 O ATOM 5 CB MET A 1 -0.702 -10.221 3.707 1.00 0.00 C ATOM 6 CG MET A 1 -0.633 -11.730 3.863 1.00 0.00 C ATOM 7 SD MET A 1 -0.657 -12.250 5.589 1.00 0.00 S ATOM 8 CE MET A 1 -0.850 -14.020 5.403 1.00 0.00 C ATOM 0 H1 MET A 1 -2.201 -10.091 1.403 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.118 -8.745 1.884 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.426 -8.632 1.795 1.00 0.00 H new ATOM 0 HA MET A 1 -2.844 -10.489 3.628 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.054 -9.919 2.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.310 -9.752 4.610 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.474 -12.185 3.339 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.276 -12.099 3.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.882 -14.488 6.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.777 -14.231 4.871 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.008 -14.420 4.838 1.00 0.00 H new ATOM 20 N GLU A 2 -1.549 -7.559 4.463 1.00 0.00 N ATOM 21 CA GLU A 2 -1.744 -6.398 5.328 1.00 0.00 C ATOM 22 C GLU A 2 -1.236 -5.124 4.653 1.00 0.00 C ATOM 23 O GLU A 2 -0.438 -5.180 3.714 1.00 0.00 O ATOM 24 CB GLU A 2 -1.043 -6.602 6.677 1.00 0.00 C ATOM 25 CG GLU A 2 0.352 -7.200 6.566 1.00 0.00 C ATOM 26 CD GLU A 2 1.109 -7.167 7.881 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.486 -6.061 8.323 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.327 -8.249 8.467 1.00 0.00 O ATOM 0 H GLU A 2 -0.681 -7.542 3.927 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.814 -6.289 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.976 -5.642 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.657 -7.253 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.275 -8.231 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.918 -6.654 5.812 1.00 0.00 H new ATOM 35 N TRP A 3 -1.714 -3.979 5.136 1.00 0.00 N ATOM 36 CA TRP A 3 -1.326 -2.684 4.590 1.00 0.00 C ATOM 37 C TRP A 3 -1.501 -1.596 5.649 1.00 0.00 C ATOM 38 O TRP A 3 -2.433 -1.647 6.449 1.00 0.00 O ATOM 39 CB TRP A 3 -2.171 -2.358 3.348 1.00 0.00 C ATOM 40 CG TRP A 3 -1.893 -1.003 2.759 1.00 0.00 C ATOM 41 CD1 TRP A 3 -2.166 0.210 3.326 1.00 0.00 C ATOM 42 CD2 TRP A 3 -1.298 -0.723 1.486 1.00 0.00 C ATOM 43 NE1 TRP A 3 -1.763 1.224 2.493 1.00 0.00 N ATOM 44 CE2 TRP A 3 -1.232 0.677 1.355 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.812 -1.520 0.445 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -0.698 1.296 0.227 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -0.283 -0.905 -0.674 1.00 0.00 C ATOM 48 CH2 TRP A 3 -0.229 0.490 -0.773 1.00 0.00 C ATOM 0 H TRP A 3 -2.376 -3.924 5.910 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.277 -2.724 4.297 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.989 -3.118 2.588 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.227 -2.418 3.613 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.632 0.351 4.290 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -1.845 2.222 2.689 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.849 -2.597 0.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -0.656 2.372 0.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 0.095 -1.510 -1.485 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.193 0.940 -1.660 1.00 0.00 H new ATOM 59 N LYS A 4 -0.607 -0.611 5.636 1.00 0.00 N ATOM 60 CA LYS A 4 -0.670 0.498 6.583 1.00 0.00 C ATOM 61 C LYS A 4 -0.381 1.812 5.865 1.00 0.00 C ATOM 62 O LYS A 4 0.466 1.860 4.977 1.00 0.00 O ATOM 63 CB LYS A 4 0.328 0.286 7.725 1.00 0.00 C ATOM 64 CG LYS A 4 -0.226 -0.549 8.870 1.00 0.00 C ATOM 65 CD LYS A 4 0.878 -1.283 9.613 1.00 0.00 C ATOM 66 CE LYS A 4 1.256 -0.569 10.902 1.00 0.00 C ATOM 67 NZ LYS A 4 2.585 -1.008 11.413 1.00 0.00 N ATOM 0 H LYS A 4 0.171 -0.558 4.979 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.673 0.539 7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.221 -0.200 7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.638 1.257 8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.765 0.096 9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.945 -1.270 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.552 -2.298 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.756 -1.367 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.271 0.507 10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.495 -0.760 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.805 -0.498 12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.564 -2.030 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.315 -0.803 10.702 1.00 0.00 H new ATOM 81 N LEU A 5 -1.099 2.871 6.234 1.00 0.00 N ATOM 82 CA LEU A 5 -0.909 4.174 5.594 1.00 0.00 C ATOM 83 C LEU A 5 -0.802 5.302 6.619 1.00 0.00 C ATOM 84 O LEU A 5 -1.257 5.171 7.756 1.00 0.00 O ATOM 85 CB LEU A 5 -2.057 4.454 4.622 1.00 0.00 C ATOM 86 CG LEU A 5 -1.734 5.428 3.487 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.721 4.816 2.528 1.00 0.00 C ATOM 88 CD2 LEU A 5 -3.005 5.817 2.748 1.00 0.00 C ATOM 0 H LEU A 5 -1.811 2.855 6.965 1.00 0.00 H new ATOM 0 HA LEU A 5 0.032 4.138 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.380 3.509 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.901 4.849 5.187 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.295 6.328 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.504 5.524 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.198 4.585 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.131 3.900 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.760 6.510 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.470 4.925 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.697 6.295 3.441 1.00 0.00 H new ATOM 100 N PHE A 6 -0.196 6.414 6.201 1.00 0.00 N ATOM 101 CA PHE A 6 -0.030 7.577 7.071 1.00 0.00 C ATOM 102 C PHE A 6 -1.214 8.539 6.922 1.00 0.00 C ATOM 103 O PHE A 6 -2.118 8.303 6.117 1.00 0.00 O ATOM 104 CB PHE A 6 1.287 8.299 6.749 1.00 0.00 C ATOM 105 CG PHE A 6 1.982 8.858 7.963 1.00 0.00 C ATOM 106 CD1 PHE A 6 2.433 8.017 8.969 1.00 0.00 C ATOM 107 CD2 PHE A 6 2.178 10.224 8.101 1.00 0.00 C ATOM 108 CE1 PHE A 6 3.069 8.527 10.084 1.00 0.00 C ATOM 109 CE2 PHE A 6 2.813 10.739 9.216 1.00 0.00 C ATOM 110 CZ PHE A 6 3.259 9.889 10.209 1.00 0.00 C ATOM 0 H PHE A 6 0.188 6.533 5.264 1.00 0.00 H new ATOM 0 HA PHE A 6 0.003 7.231 8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.958 7.604 6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.085 9.111 6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.285 6.951 8.880 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.830 10.894 7.328 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.418 7.860 10.859 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.960 11.805 9.310 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.755 10.289 11.081 1.00 0.00 H new ATOM 120 N ALA A 7 -1.201 9.625 7.700 1.00 0.00 N ATOM 121 CA ALA A 7 -2.273 10.621 7.649 1.00 0.00 C ATOM 122 C ALA A 7 -2.212 11.471 6.374 1.00 0.00 C ATOM 123 O ALA A 7 -3.144 12.215 6.086 1.00 0.00 O ATOM 124 CB ALA A 7 -2.221 11.522 8.877 1.00 0.00 C ATOM 0 H ALA A 7 -0.462 9.836 8.371 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.217 10.076 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.024 12.257 8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.341 10.918 9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.261 12.036 8.910 1.00 0.00 H new ATOM 130 N ASP A 8 -1.120 11.358 5.607 1.00 0.00 N ATOM 131 CA ASP A 8 -0.973 12.124 4.369 1.00 0.00 C ATOM 132 C ASP A 8 -2.141 11.852 3.422 1.00 0.00 C ATOM 133 O ASP A 8 -2.640 12.760 2.758 1.00 0.00 O ATOM 134 CB ASP A 8 0.353 11.789 3.672 1.00 0.00 C ATOM 135 CG ASP A 8 0.808 12.887 2.727 1.00 0.00 C ATOM 136 OD1 ASP A 8 0.074 13.191 1.766 1.00 0.00 O ATOM 137 OD2 ASP A 8 1.901 13.446 2.951 1.00 0.00 O ATOM 0 H ASP A 8 -0.332 10.747 5.822 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.972 13.182 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.123 11.620 4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.242 10.858 3.116 1.00 0.00 H new ATOM 142 N LEU A 9 -2.562 10.592 3.366 1.00 0.00 N ATOM 143 CA LEU A 9 -3.665 10.184 2.497 1.00 0.00 C ATOM 144 C LEU A 9 -4.897 9.776 3.311 1.00 0.00 C ATOM 145 O LEU A 9 -6.029 10.083 2.934 1.00 0.00 O ATOM 146 CB LEU A 9 -3.236 9.018 1.596 1.00 0.00 C ATOM 147 CG LEU A 9 -1.784 9.039 1.080 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.361 10.440 0.656 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.827 8.482 2.127 1.00 0.00 C ATOM 0 H LEU A 9 -2.156 9.833 3.913 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.929 11.042 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.388 8.089 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.903 8.991 0.734 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.741 8.399 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.332 10.417 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.015 10.792 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.433 11.115 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.191 8.507 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.886 9.087 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.101 7.453 2.360 1.00 0.00 H new ATOM 161 N ALA A 10 -4.678 9.079 4.426 1.00 0.00 N ATOM 162 CA ALA A 10 -5.782 8.627 5.277 1.00 0.00 C ATOM 163 C ALA A 10 -6.601 9.794 5.843 1.00 0.00 C ATOM 164 O ALA A 10 -7.702 9.589 6.349 1.00 0.00 O ATOM 165 CB ALA A 10 -5.249 7.765 6.406 1.00 0.00 C ATOM 0 H ALA A 10 -3.751 8.815 4.761 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.453 8.038 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.077 7.434 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.738 6.896 5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.548 8.345 7.007 1.00 0.00 H new ATOM 171 N GLU A 11 -6.066 11.015 5.753 1.00 0.00 N ATOM 172 CA GLU A 11 -6.770 12.191 6.259 1.00 0.00 C ATOM 173 C GLU A 11 -7.942 12.573 5.351 1.00 0.00 C ATOM 174 O GLU A 11 -8.911 13.180 5.812 1.00 0.00 O ATOM 175 CB GLU A 11 -5.817 13.379 6.390 1.00 0.00 C ATOM 176 CG GLU A 11 -5.141 13.471 7.751 1.00 0.00 C ATOM 177 CD GLU A 11 -4.171 14.639 7.858 1.00 0.00 C ATOM 178 OE1 GLU A 11 -3.736 15.161 6.808 1.00 0.00 O ATOM 179 OE2 GLU A 11 -3.847 15.030 8.998 1.00 0.00 O ATOM 0 H GLU A 11 -5.155 11.212 5.338 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.162 11.935 7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.051 13.307 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.370 14.300 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.904 13.568 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.605 12.542 7.947 1.00 0.00 H new ATOM 186 N VAL A 12 -7.849 12.229 4.063 1.00 0.00 N ATOM 187 CA VAL A 12 -8.908 12.554 3.111 1.00 0.00 C ATOM 188 C VAL A 12 -9.960 11.444 3.033 1.00 0.00 C ATOM 189 O VAL A 12 -11.157 11.726 2.962 1.00 0.00 O ATOM 190 CB VAL A 12 -8.349 12.833 1.702 1.00 0.00 C ATOM 191 CG1 VAL A 12 -9.434 13.403 0.799 1.00 0.00 C ATOM 192 CG2 VAL A 12 -7.159 13.779 1.770 1.00 0.00 C ATOM 0 H VAL A 12 -7.056 11.729 3.661 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.383 13.462 3.482 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.009 11.888 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.020 13.593 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.253 12.688 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.807 14.336 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.781 13.961 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.470 14.723 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.372 13.331 2.377 1.00 0.00 H new ATOM 202 N ALA A 13 -9.513 10.188 3.031 1.00 0.00 N ATOM 203 CA ALA A 13 -10.433 9.053 2.945 1.00 0.00 C ATOM 204 C ALA A 13 -10.878 8.576 4.325 1.00 0.00 C ATOM 205 O ALA A 13 -12.057 8.289 4.536 1.00 0.00 O ATOM 206 CB ALA A 13 -9.798 7.909 2.168 1.00 0.00 C ATOM 0 H ALA A 13 -8.527 9.932 3.087 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.321 9.393 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.496 7.074 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.555 8.245 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.887 7.588 2.673 1.00 0.00 H new ATOM 212 N GLY A 14 -9.931 8.485 5.259 1.00 0.00 N ATOM 213 CA GLY A 14 -10.253 8.033 6.603 1.00 0.00 C ATOM 214 C GLY A 14 -9.653 6.674 6.928 1.00 0.00 C ATOM 215 O GLY A 14 -9.508 6.324 8.099 1.00 0.00 O ATOM 0 H GLY A 14 -8.949 8.716 5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.892 8.766 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.336 7.983 6.715 1.00 0.00 H new ATOM 219 N SER A 15 -9.301 5.905 5.892 1.00 0.00 N ATOM 220 CA SER A 15 -8.713 4.580 6.078 1.00 0.00 C ATOM 221 C SER A 15 -7.254 4.572 5.636 1.00 0.00 C ATOM 222 O SER A 15 -6.925 5.033 4.542 1.00 0.00 O ATOM 223 CB SER A 15 -9.498 3.530 5.288 1.00 0.00 C ATOM 224 OG SER A 15 -10.589 3.030 6.044 1.00 0.00 O ATOM 0 H SER A 15 -9.414 6.180 4.916 1.00 0.00 H new ATOM 0 HA SER A 15 -8.761 4.335 7.139 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.866 3.969 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.836 2.709 5.012 1.00 0.00 H new ATOM 0 HG SER A 15 -11.074 2.362 5.516 1.00 0.00 H new ATOM 230 N ARG A 16 -6.384 4.047 6.495 1.00 0.00 N ATOM 231 CA ARG A 16 -4.964 3.978 6.204 1.00 0.00 C ATOM 232 C ARG A 16 -4.508 2.526 6.059 1.00 0.00 C ATOM 233 O ARG A 16 -3.829 2.174 5.093 1.00 0.00 O ATOM 234 CB ARG A 16 -4.156 4.680 7.306 1.00 0.00 C ATOM 235 CG ARG A 16 -4.706 4.496 8.716 1.00 0.00 C ATOM 236 CD ARG A 16 -5.836 5.471 9.018 1.00 0.00 C ATOM 237 NE ARG A 16 -6.962 4.812 9.681 1.00 0.00 N ATOM 238 CZ ARG A 16 -7.926 5.456 10.342 1.00 0.00 C ATOM 239 NH1 ARG A 16 -7.910 6.785 10.439 1.00 0.00 N ATOM 240 NH2 ARG A 16 -8.912 4.769 10.906 1.00 0.00 N ATOM 0 H ARG A 16 -6.645 3.662 7.403 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.787 4.490 5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.132 4.308 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.114 5.746 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.067 3.474 8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.903 4.636 9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.462 6.275 9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.178 5.929 8.090 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.013 3.794 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.157 7.319 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.651 7.268 10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.931 3.752 10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.650 5.258 11.412 1.00 0.00 H new ATOM 254 N THR A 17 -4.881 1.685 7.026 1.00 0.00 N ATOM 255 CA THR A 17 -4.501 0.276 7.004 1.00 0.00 C ATOM 256 C THR A 17 -5.576 -0.582 6.338 1.00 0.00 C ATOM 257 O THR A 17 -6.770 -0.294 6.441 1.00 0.00 O ATOM 258 CB THR A 17 -4.222 -0.227 8.428 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.426 -0.559 9.098 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.483 0.775 9.290 1.00 0.00 C ATOM 0 H THR A 17 -5.445 1.957 7.831 1.00 0.00 H new ATOM 0 HA THR A 17 -3.589 0.187 6.414 1.00 0.00 H new ATOM 0 HB THR A 17 -3.590 -1.105 8.295 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.220 -0.878 10.002 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.320 0.352 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.521 1.009 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.074 1.686 9.377 1.00 0.00 H new ATOM 268 N VAL A 18 -5.138 -1.643 5.653 1.00 0.00 N ATOM 269 CA VAL A 18 -6.055 -2.550 4.964 1.00 0.00 C ATOM 270 C VAL A 18 -5.546 -3.991 5.008 1.00 0.00 C ATOM 271 O VAL A 18 -4.470 -4.295 4.493 1.00 0.00 O ATOM 272 CB VAL A 18 -6.258 -2.145 3.486 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.446 -2.881 2.884 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.438 -0.639 3.350 1.00 0.00 C ATOM 0 H VAL A 18 -4.153 -1.893 5.562 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.008 -2.481 5.489 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.361 -2.429 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.571 -2.581 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.271 -3.956 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.348 -2.634 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.579 -0.383 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.312 -0.324 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.553 -0.131 3.732 1.00 0.00 H new ATOM 284 N ARG A 19 -6.335 -4.879 5.614 1.00 0.00 N ATOM 285 CA ARG A 19 -5.970 -6.292 5.710 1.00 0.00 C ATOM 286 C ARG A 19 -6.749 -7.113 4.684 1.00 0.00 C ATOM 287 O ARG A 19 -7.943 -6.887 4.473 1.00 0.00 O ATOM 288 CB ARG A 19 -6.227 -6.826 7.122 1.00 0.00 C ATOM 289 CG ARG A 19 -5.127 -6.476 8.115 1.00 0.00 C ATOM 290 CD ARG A 19 -4.615 -7.709 8.844 1.00 0.00 C ATOM 291 NE ARG A 19 -5.114 -7.787 10.217 1.00 0.00 N ATOM 292 CZ ARG A 19 -4.574 -8.558 11.166 1.00 0.00 C ATOM 293 NH1 ARG A 19 -3.525 -9.331 10.894 1.00 0.00 N ATOM 294 NH2 ARG A 19 -5.089 -8.561 12.391 1.00 0.00 N ATOM 0 H ARG A 19 -7.229 -4.645 6.045 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.905 -6.384 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.174 -6.427 7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.334 -7.910 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.302 -5.995 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.507 -5.756 8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.917 -8.603 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.525 -7.696 8.856 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.923 -7.218 10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.127 -9.338 9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.120 -9.916 11.625 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.896 -7.975 12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.678 -9.149 13.116 1.00 0.00 H new ATOM 308 N VAL A 20 -6.063 -8.062 4.046 1.00 0.00 N ATOM 309 CA VAL A 20 -6.686 -8.916 3.034 1.00 0.00 C ATOM 310 C VAL A 20 -6.512 -10.394 3.368 1.00 0.00 C ATOM 311 O VAL A 20 -5.388 -10.878 3.526 1.00 0.00 O ATOM 312 CB VAL A 20 -6.100 -8.655 1.629 1.00 0.00 C ATOM 313 CG1 VAL A 20 -6.911 -9.382 0.564 1.00 0.00 C ATOM 314 CG2 VAL A 20 -6.035 -7.160 1.336 1.00 0.00 C ATOM 0 H VAL A 20 -5.076 -8.259 4.212 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.747 -8.666 3.033 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.083 -9.046 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.481 -9.185 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.891 -10.454 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.942 -9.028 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.619 -7.002 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.038 -6.736 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.401 -6.671 2.076 1.00 0.00 H new ATOM 324 N ASP A 21 -7.634 -11.102 3.467 1.00 0.00 N ATOM 325 CA ASP A 21 -7.631 -12.529 3.773 1.00 0.00 C ATOM 326 C ASP A 21 -7.815 -13.368 2.504 1.00 0.00 C ATOM 327 O ASP A 21 -7.292 -14.479 2.407 1.00 0.00 O ATOM 328 CB ASP A 21 -8.735 -12.859 4.786 1.00 0.00 C ATOM 329 CG ASP A 21 -10.030 -12.106 4.529 1.00 0.00 C ATOM 330 OD1 ASP A 21 -10.108 -10.914 4.897 1.00 0.00 O ATOM 331 OD2 ASP A 21 -10.965 -12.707 3.962 1.00 0.00 O ATOM 0 H ASP A 21 -8.565 -10.706 3.338 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.662 -12.777 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.934 -13.930 4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.380 -12.625 5.790 1.00 0.00 H new ATOM 336 N VAL A 22 -8.561 -12.831 1.536 1.00 0.00 N ATOM 337 CA VAL A 22 -8.814 -13.530 0.278 1.00 0.00 C ATOM 338 C VAL A 22 -7.769 -13.162 -0.779 1.00 0.00 C ATOM 339 O VAL A 22 -7.217 -12.060 -0.763 1.00 0.00 O ATOM 340 CB VAL A 22 -10.226 -13.211 -0.265 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.368 -11.727 -0.575 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.536 -14.056 -1.495 1.00 0.00 C ATOM 0 H VAL A 22 -9.000 -11.913 1.601 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.747 -14.598 0.486 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.950 -13.462 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.370 -11.529 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.204 -11.148 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.632 -11.440 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.534 -13.815 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.804 -13.846 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.492 -15.113 -1.231 1.00 0.00 H new ATOM 352 N ASP A 23 -7.509 -14.092 -1.699 1.00 0.00 N ATOM 353 CA ASP A 23 -6.537 -13.865 -2.764 1.00 0.00 C ATOM 354 C ASP A 23 -7.209 -13.896 -4.132 1.00 0.00 C ATOM 355 O ASP A 23 -7.828 -14.895 -4.507 1.00 0.00 O ATOM 356 CB ASP A 23 -5.424 -14.914 -2.711 1.00 0.00 C ATOM 357 CG ASP A 23 -4.489 -14.716 -1.532 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.833 -13.653 -1.463 1.00 0.00 O ATOM 359 OD2 ASP A 23 -4.408 -15.626 -0.682 1.00 0.00 O ATOM 0 H ASP A 23 -7.958 -15.007 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.102 -12.877 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.869 -15.907 -2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.849 -14.875 -3.636 1.00 0.00 H new ATOM 364 N GLY A 24 -7.078 -12.798 -4.879 1.00 0.00 N ATOM 365 CA GLY A 24 -7.672 -12.720 -6.202 1.00 0.00 C ATOM 366 C GLY A 24 -6.665 -12.324 -7.268 1.00 0.00 C ATOM 367 O GLY A 24 -6.955 -11.473 -8.112 1.00 0.00 O ATOM 0 H GLY A 24 -6.570 -11.962 -4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.108 -13.686 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.487 -11.996 -6.189 1.00 0.00 H new ATOM 371 N ASP A 25 -5.481 -12.945 -7.227 1.00 0.00 N ATOM 372 CA ASP A 25 -4.412 -12.665 -8.191 1.00 0.00 C ATOM 373 C ASP A 25 -4.063 -11.174 -8.217 1.00 0.00 C ATOM 374 O ASP A 25 -3.702 -10.626 -9.263 1.00 0.00 O ATOM 375 CB ASP A 25 -4.822 -13.143 -9.591 1.00 0.00 C ATOM 376 CG ASP A 25 -3.651 -13.237 -10.554 1.00 0.00 C ATOM 377 OD1 ASP A 25 -2.541 -13.617 -10.118 1.00 0.00 O ATOM 378 OD2 ASP A 25 -3.844 -12.932 -11.749 1.00 0.00 O ATOM 0 H ASP A 25 -5.238 -13.650 -6.531 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.522 -13.211 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.298 -14.120 -9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.566 -12.459 -9.999 1.00 0.00 H new ATOM 383 N ALA A 26 -4.167 -10.522 -7.060 1.00 0.00 N ATOM 384 CA ALA A 26 -3.861 -9.103 -6.953 1.00 0.00 C ATOM 385 C ALA A 26 -2.361 -8.888 -6.771 1.00 0.00 C ATOM 386 O ALA A 26 -1.748 -9.476 -5.880 1.00 0.00 O ATOM 387 CB ALA A 26 -4.637 -8.484 -5.798 1.00 0.00 C ATOM 0 H ALA A 26 -4.461 -10.957 -6.186 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.163 -8.611 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.400 -7.422 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.706 -8.606 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.361 -8.980 -4.867 1.00 0.00 H new ATOM 393 N THR A 27 -1.778 -8.044 -7.623 1.00 0.00 N ATOM 394 CA THR A 27 -0.347 -7.756 -7.556 1.00 0.00 C ATOM 395 C THR A 27 -0.044 -6.774 -6.427 1.00 0.00 C ATOM 396 O THR A 27 -0.953 -6.159 -5.865 1.00 0.00 O ATOM 397 CB THR A 27 0.168 -7.193 -8.891 1.00 0.00 C ATOM 398 OG1 THR A 27 -0.887 -7.043 -9.833 1.00 0.00 O ATOM 399 CG2 THR A 27 1.233 -8.057 -9.531 1.00 0.00 C ATOM 0 H THR A 27 -2.274 -7.550 -8.365 1.00 0.00 H new ATOM 0 HA THR A 27 0.168 -8.695 -7.354 1.00 0.00 H new ATOM 0 HB THR A 27 0.602 -6.225 -8.639 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.529 -6.682 -10.671 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.554 -7.604 -10.469 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.086 -8.141 -8.858 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.827 -9.049 -9.727 1.00 0.00 H new ATOM 407 N VAL A 28 1.240 -6.623 -6.106 1.00 0.00 N ATOM 408 CA VAL A 28 1.662 -5.708 -5.054 1.00 0.00 C ATOM 409 C VAL A 28 1.581 -4.265 -5.543 1.00 0.00 C ATOM 410 O VAL A 28 1.260 -3.357 -4.776 1.00 0.00 O ATOM 411 CB VAL A 28 3.101 -5.998 -4.575 1.00 0.00 C ATOM 412 CG1 VAL A 28 3.441 -5.148 -3.360 1.00 0.00 C ATOM 413 CG2 VAL A 28 3.280 -7.478 -4.263 1.00 0.00 C ATOM 0 H VAL A 28 2.004 -7.124 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 28 0.985 -5.857 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 28 3.787 -5.736 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.459 -5.366 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.361 -4.093 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.747 -5.375 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.301 -7.658 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.583 -7.771 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.084 -8.065 -5.160 1.00 0.00 H new ATOM 423 N GLY A 29 1.864 -4.067 -6.831 1.00 0.00 N ATOM 424 CA GLY A 29 1.809 -2.741 -7.403 1.00 0.00 C ATOM 425 C GLY A 29 0.408 -2.364 -7.850 1.00 0.00 C ATOM 426 O GLY A 29 0.052 -1.184 -7.850 1.00 0.00 O ATOM 0 H GLY A 29 2.130 -4.805 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.161 -2.016 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.487 -2.687 -8.255 1.00 0.00 H new ATOM 430 N ASP A 30 -0.392 -3.371 -8.223 1.00 0.00 N ATOM 431 CA ASP A 30 -1.769 -3.151 -8.666 1.00 0.00 C ATOM 432 C ASP A 30 -2.571 -2.392 -7.605 1.00 0.00 C ATOM 433 O ASP A 30 -3.343 -1.493 -7.930 1.00 0.00 O ATOM 434 CB ASP A 30 -2.442 -4.493 -8.977 1.00 0.00 C ATOM 435 CG ASP A 30 -3.912 -4.351 -9.334 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.229 -3.570 -10.257 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.745 -5.026 -8.694 1.00 0.00 O ATOM 0 H ASP A 30 -0.105 -4.350 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.744 -2.545 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.918 -4.973 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.345 -5.151 -8.113 1.00 0.00 H new ATOM 442 N ALA A 31 -2.371 -2.762 -6.336 1.00 0.00 N ATOM 443 CA ALA A 31 -3.064 -2.117 -5.221 1.00 0.00 C ATOM 444 C ALA A 31 -2.299 -0.888 -4.728 1.00 0.00 C ATOM 445 O ALA A 31 -2.906 0.082 -4.273 1.00 0.00 O ATOM 446 CB ALA A 31 -3.264 -3.104 -4.077 1.00 0.00 C ATOM 0 H ALA A 31 -1.733 -3.507 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.039 -1.787 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.781 -2.609 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.860 -3.948 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.294 -3.462 -3.732 1.00 0.00 H new ATOM 452 N LEU A 32 -0.967 -0.931 -4.821 1.00 0.00 N ATOM 453 CA LEU A 32 -0.129 0.183 -4.382 1.00 0.00 C ATOM 454 C LEU A 32 -0.444 1.437 -5.185 1.00 0.00 C ATOM 455 O LEU A 32 -0.882 2.445 -4.629 1.00 0.00 O ATOM 456 CB LEU A 32 1.354 -0.166 -4.531 1.00 0.00 C ATOM 457 CG LEU A 32 2.308 0.660 -3.664 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.113 -0.249 -2.748 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.231 1.504 -4.536 1.00 0.00 C ATOM 0 H LEU A 32 -0.448 -1.725 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.343 0.372 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.489 -1.220 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.637 -0.040 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 32 1.717 1.334 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.786 0.353 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.435 -0.805 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.695 -0.948 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.901 2.084 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.818 0.852 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.635 2.181 -5.148 1.00 0.00 H new ATOM 471 N ASP A 33 -0.223 1.366 -6.499 1.00 0.00 N ATOM 472 CA ASP A 33 -0.488 2.498 -7.386 1.00 0.00 C ATOM 473 C ASP A 33 -1.967 2.863 -7.365 1.00 0.00 C ATOM 474 O ASP A 33 -2.323 4.033 -7.492 1.00 0.00 O ATOM 475 CB ASP A 33 -0.046 2.178 -8.816 1.00 0.00 C ATOM 476 CG ASP A 33 -0.263 3.339 -9.775 1.00 0.00 C ATOM 477 OD1 ASP A 33 -0.052 4.503 -9.366 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.643 3.083 -10.935 1.00 0.00 O ATOM 0 H ASP A 33 0.138 0.537 -6.971 1.00 0.00 H new ATOM 0 HA ASP A 33 0.087 3.351 -7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.010 1.908 -8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.596 1.308 -9.175 1.00 0.00 H new ATOM 483 N ALA A 34 -2.824 1.855 -7.198 1.00 0.00 N ATOM 484 CA ALA A 34 -4.262 2.080 -7.151 1.00 0.00 C ATOM 485 C ALA A 34 -4.631 2.889 -5.910 1.00 0.00 C ATOM 486 O ALA A 34 -5.259 3.937 -6.011 1.00 0.00 O ATOM 487 CB ALA A 34 -5.012 0.757 -7.169 1.00 0.00 C ATOM 0 H ALA A 34 -2.545 0.879 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.552 2.648 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.085 0.946 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.770 0.214 -8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.720 0.161 -6.304 1.00 0.00 H new ATOM 493 N LEU A 35 -4.222 2.406 -4.742 1.00 0.00 N ATOM 494 CA LEU A 35 -4.507 3.100 -3.488 1.00 0.00 C ATOM 495 C LEU A 35 -3.829 4.475 -3.441 1.00 0.00 C ATOM 496 O LEU A 35 -4.221 5.335 -2.652 1.00 0.00 O ATOM 497 CB LEU A 35 -4.058 2.248 -2.298 1.00 0.00 C ATOM 498 CG LEU A 35 -5.132 1.323 -1.719 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.745 0.452 -2.811 1.00 0.00 C ATOM 500 CD2 LEU A 35 -4.547 0.458 -0.614 1.00 0.00 C ATOM 0 H LEU A 35 -3.694 1.540 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.584 3.256 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.206 1.642 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.708 2.912 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.923 1.942 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.505 -0.196 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.202 1.087 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.967 -0.158 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.323 -0.194 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.736 -0.149 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.162 1.096 0.182 1.00 0.00 H new ATOM 512 N VAL A 36 -2.813 4.676 -4.284 1.00 0.00 N ATOM 513 CA VAL A 36 -2.091 5.946 -4.321 1.00 0.00 C ATOM 514 C VAL A 36 -2.682 6.916 -5.346 1.00 0.00 C ATOM 515 O VAL A 36 -2.888 8.090 -5.044 1.00 0.00 O ATOM 516 CB VAL A 36 -0.598 5.735 -4.641 1.00 0.00 C ATOM 517 CG1 VAL A 36 0.110 7.073 -4.792 1.00 0.00 C ATOM 518 CG2 VAL A 36 0.066 4.888 -3.566 1.00 0.00 C ATOM 0 H VAL A 36 -2.474 3.978 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.194 6.380 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.521 5.201 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.163 6.904 -5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.349 7.638 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.024 7.637 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.119 4.750 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.021 5.390 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.424 3.916 -3.514 1.00 0.00 H new ATOM 528 N GLY A 37 -2.928 6.429 -6.565 1.00 0.00 N ATOM 529 CA GLY A 37 -3.465 7.287 -7.614 1.00 0.00 C ATOM 530 C GLY A 37 -4.907 6.982 -7.976 1.00 0.00 C ATOM 531 O GLY A 37 -5.671 7.888 -8.312 1.00 0.00 O ATOM 0 H GLY A 37 -2.766 5.461 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.393 8.326 -7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.847 7.185 -8.506 1.00 0.00 H new ATOM 535 N ALA A 38 -5.278 5.706 -7.910 1.00 0.00 N ATOM 536 CA ALA A 38 -6.641 5.280 -8.236 1.00 0.00 C ATOM 537 C ALA A 38 -7.619 5.508 -7.074 1.00 0.00 C ATOM 538 O ALA A 38 -8.812 5.225 -7.206 1.00 0.00 O ATOM 539 CB ALA A 38 -6.656 3.814 -8.655 1.00 0.00 C ATOM 0 H ALA A 38 -4.655 4.947 -7.634 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.977 5.898 -9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.676 3.514 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.024 3.680 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.279 3.198 -7.839 1.00 0.00 H new ATOM 545 N HIS A 39 -7.120 6.022 -5.945 1.00 0.00 N ATOM 546 CA HIS A 39 -7.961 6.282 -4.787 1.00 0.00 C ATOM 547 C HIS A 39 -7.795 7.724 -4.313 1.00 0.00 C ATOM 548 O HIS A 39 -7.305 7.973 -3.209 1.00 0.00 O ATOM 549 CB HIS A 39 -7.623 5.309 -3.654 1.00 0.00 C ATOM 550 CG HIS A 39 -8.428 4.045 -3.684 1.00 0.00 C ATOM 551 ND1 HIS A 39 -8.167 2.969 -2.862 1.00 0.00 N ATOM 552 CD2 HIS A 39 -9.493 3.689 -4.440 1.00 0.00 C ATOM 553 CE1 HIS A 39 -9.037 2.006 -3.112 1.00 0.00 C ATOM 554 NE2 HIS A 39 -9.851 2.420 -4.064 1.00 0.00 N ATOM 0 H HIS A 39 -6.138 6.264 -5.815 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.001 6.133 -5.078 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.564 5.056 -3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.783 5.808 -2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.971 4.292 -5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.075 1.045 -2.621 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.623 1.882 -4.457 1.00 0.00 H new ATOM 563 N PRO A 40 -8.216 8.701 -5.144 1.00 0.00 N ATOM 564 CA PRO A 40 -8.129 10.128 -4.803 1.00 0.00 C ATOM 565 C PRO A 40 -8.796 10.451 -3.465 1.00 0.00 C ATOM 566 O PRO A 40 -8.521 11.489 -2.864 1.00 0.00 O ATOM 567 CB PRO A 40 -8.880 10.812 -5.942 1.00 0.00 C ATOM 568 CG PRO A 40 -8.775 9.865 -7.084 1.00 0.00 C ATOM 569 CD PRO A 40 -8.822 8.495 -6.475 1.00 0.00 C ATOM 0 HA PRO A 40 -7.095 10.454 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.921 10.997 -5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.436 11.777 -6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.593 10.009 -7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.848 10.017 -7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.843 8.122 -6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.261 7.771 -7.066 1.00 0.00 H new ATOM 577 N ALA A 41 -9.674 9.551 -3.001 1.00 0.00 N ATOM 578 CA ALA A 41 -10.371 9.731 -1.732 1.00 0.00 C ATOM 579 C ALA A 41 -9.395 10.010 -0.587 1.00 0.00 C ATOM 580 O ALA A 41 -9.766 10.648 0.389 1.00 0.00 O ATOM 581 CB ALA A 41 -11.219 8.507 -1.417 1.00 0.00 C ATOM 0 H ALA A 41 -9.915 8.690 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.022 10.600 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.733 8.655 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.954 8.360 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.578 7.628 -1.349 1.00 0.00 H new ATOM 587 N LEU A 42 -8.148 9.537 -0.715 1.00 0.00 N ATOM 588 CA LEU A 42 -7.130 9.753 0.309 1.00 0.00 C ATOM 589 C LEU A 42 -6.256 10.969 -0.032 1.00 0.00 C ATOM 590 O LEU A 42 -5.661 11.579 0.850 1.00 0.00 O ATOM 591 CB LEU A 42 -6.249 8.508 0.454 1.00 0.00 C ATOM 592 CG LEU A 42 -6.981 7.163 0.375 1.00 0.00 C ATOM 593 CD1 LEU A 42 -6.362 6.281 -0.699 1.00 0.00 C ATOM 594 CD2 LEU A 42 -6.958 6.458 1.725 1.00 0.00 C ATOM 0 H LEU A 42 -7.824 9.002 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.639 9.945 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.487 8.532 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.729 8.562 1.411 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.020 7.354 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.894 5.331 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.434 6.780 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.314 6.100 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.483 5.506 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.925 6.280 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.450 7.083 2.470 1.00 0.00 H new ATOM 606 N GLU A 43 -6.186 11.320 -1.313 1.00 0.00 N ATOM 607 CA GLU A 43 -5.386 12.462 -1.750 1.00 0.00 C ATOM 608 C GLU A 43 -5.999 13.120 -2.989 1.00 0.00 C ATOM 609 O GLU A 43 -5.538 12.914 -4.112 1.00 0.00 O ATOM 610 CB GLU A 43 -3.937 12.035 -2.026 1.00 0.00 C ATOM 611 CG GLU A 43 -3.802 10.843 -2.967 1.00 0.00 C ATOM 612 CD GLU A 43 -2.997 11.168 -4.214 1.00 0.00 C ATOM 613 OE1 GLU A 43 -1.813 11.548 -4.077 1.00 0.00 O ATOM 614 OE2 GLU A 43 -3.550 11.044 -5.327 1.00 0.00 O ATOM 0 H GLU A 43 -6.672 10.832 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.381 13.197 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.396 12.881 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.456 11.791 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.325 10.019 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.795 10.502 -3.259 1.00 0.00 H new ATOM 621 N SER A 44 -7.047 13.910 -2.767 1.00 0.00 N ATOM 622 CA SER A 44 -7.733 14.603 -3.856 1.00 0.00 C ATOM 623 C SER A 44 -6.973 15.866 -4.260 1.00 0.00 C ATOM 624 O SER A 44 -6.650 16.053 -5.433 1.00 0.00 O ATOM 625 CB SER A 44 -9.162 14.959 -3.437 1.00 0.00 C ATOM 626 OG SER A 44 -9.862 15.609 -4.485 1.00 0.00 O ATOM 0 H SER A 44 -7.440 14.087 -1.843 1.00 0.00 H new ATOM 0 HA SER A 44 -7.771 13.936 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.695 14.053 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.135 15.605 -2.560 1.00 0.00 H new ATOM 0 HG SER A 44 -10.771 15.822 -4.188 1.00 0.00 H new ATOM 632 N ARG A 45 -6.687 16.729 -3.280 1.00 0.00 N ATOM 633 CA ARG A 45 -5.964 17.974 -3.534 1.00 0.00 C ATOM 634 C ARG A 45 -5.695 18.730 -2.234 1.00 0.00 C ATOM 635 O ARG A 45 -6.609 19.304 -1.638 1.00 0.00 O ATOM 636 CB ARG A 45 -6.743 18.873 -4.505 1.00 0.00 C ATOM 637 CG ARG A 45 -8.234 18.959 -4.210 1.00 0.00 C ATOM 638 CD ARG A 45 -8.804 20.309 -4.620 1.00 0.00 C ATOM 639 NE ARG A 45 -8.919 21.229 -3.486 1.00 0.00 N ATOM 640 CZ ARG A 45 -9.055 22.553 -3.608 1.00 0.00 C ATOM 641 NH1 ARG A 45 -9.090 23.123 -4.811 1.00 0.00 N ATOM 642 NH2 ARG A 45 -9.157 23.311 -2.522 1.00 0.00 N ATOM 0 H ARG A 45 -6.946 16.586 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.009 17.709 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.319 19.877 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.605 18.499 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.758 18.165 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.406 18.798 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.166 20.754 -5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.786 20.165 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.894 20.835 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.013 22.548 -5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.194 24.134 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.131 22.882 -1.597 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.261 24.322 -2.613 1.00 0.00 H new ATOM 656 N VAL A 46 -4.436 18.730 -1.800 1.00 0.00 N ATOM 657 CA VAL A 46 -4.048 19.421 -0.573 1.00 0.00 C ATOM 658 C VAL A 46 -3.918 20.926 -0.819 1.00 0.00 C ATOM 659 O VAL A 46 -4.564 21.730 -0.145 1.00 0.00 O ATOM 660 CB VAL A 46 -2.718 18.874 -0.004 1.00 0.00 C ATOM 661 CG1 VAL A 46 -2.436 19.472 1.366 1.00 0.00 C ATOM 662 CG2 VAL A 46 -2.749 17.352 0.067 1.00 0.00 C ATOM 0 H VAL A 46 -3.668 18.260 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.834 19.240 0.160 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.911 19.166 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.496 19.075 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.365 20.556 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.245 19.214 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.804 16.987 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.566 17.035 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.899 16.944 -0.933 1.00 0.00 H new ATOM 672 N PHE A 47 -3.084 21.292 -1.794 1.00 0.00 N ATOM 673 CA PHE A 47 -2.868 22.696 -2.146 1.00 0.00 C ATOM 674 C PHE A 47 -2.017 22.809 -3.414 1.00 0.00 C ATOM 675 O PHE A 47 -1.041 23.563 -3.461 1.00 0.00 O ATOM 676 CB PHE A 47 -2.194 23.445 -0.986 1.00 0.00 C ATOM 677 CG PHE A 47 -2.537 24.908 -0.929 1.00 0.00 C ATOM 678 CD1 PHE A 47 -3.666 25.342 -0.253 1.00 0.00 C ATOM 679 CD2 PHE A 47 -1.731 25.850 -1.548 1.00 0.00 C ATOM 680 CE1 PHE A 47 -3.984 26.686 -0.195 1.00 0.00 C ATOM 681 CE2 PHE A 47 -2.043 27.194 -1.496 1.00 0.00 C ATOM 682 CZ PHE A 47 -3.170 27.614 -0.818 1.00 0.00 C ATOM 0 H PHE A 47 -2.545 20.633 -2.356 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.839 23.152 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.484 22.976 -0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.113 23.338 -1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.306 24.621 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.847 25.529 -2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.867 27.011 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.406 27.916 -1.985 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.415 28.665 -0.774 1.00 0.00 H new ATOM 692 N GLY A 48 -2.387 22.043 -4.444 1.00 0.00 N ATOM 693 CA GLY A 48 -1.647 22.060 -5.694 1.00 0.00 C ATOM 694 C GLY A 48 -0.565 20.996 -5.744 1.00 0.00 C ATOM 695 O GLY A 48 -0.421 20.300 -6.750 1.00 0.00 O ATOM 0 H GLY A 48 -3.188 21.411 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.338 21.910 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.193 23.042 -5.831 1.00 0.00 H new ATOM 699 N ASP A 49 0.198 20.871 -4.656 1.00 0.00 N ATOM 700 CA ASP A 49 1.272 19.887 -4.576 1.00 0.00 C ATOM 701 C ASP A 49 1.341 19.259 -3.186 1.00 0.00 C ATOM 702 O ASP A 49 0.888 19.852 -2.203 1.00 0.00 O ATOM 703 CB ASP A 49 2.614 20.543 -4.916 1.00 0.00 C ATOM 704 CG ASP A 49 3.387 19.781 -5.976 1.00 0.00 C ATOM 705 OD1 ASP A 49 3.530 18.547 -5.839 1.00 0.00 O ATOM 706 OD2 ASP A 49 3.850 20.420 -6.945 1.00 0.00 O ATOM 0 H ASP A 49 0.089 21.442 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 49 1.061 19.099 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.438 21.562 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.219 20.614 -4.012 1.00 0.00 H new ATOM 711 N ASP A 50 1.916 18.061 -3.113 1.00 0.00 N ATOM 712 CA ASP A 50 2.056 17.349 -1.842 1.00 0.00 C ATOM 713 C ASP A 50 3.513 17.328 -1.376 1.00 0.00 C ATOM 714 O ASP A 50 3.783 17.283 -0.173 1.00 0.00 O ATOM 715 CB ASP A 50 1.524 15.918 -1.967 1.00 0.00 C ATOM 716 CG ASP A 50 0.211 15.722 -1.230 1.00 0.00 C ATOM 717 OD1 ASP A 50 0.157 16.031 -0.019 1.00 0.00 O ATOM 718 OD2 ASP A 50 -0.761 15.257 -1.862 1.00 0.00 O ATOM 0 H ASP A 50 2.293 17.561 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 50 1.467 17.882 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.386 15.675 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.265 15.222 -1.574 1.00 0.00 H new ATOM 723 N GLY A 51 4.449 17.367 -2.329 1.00 0.00 N ATOM 724 CA GLY A 51 5.863 17.358 -1.992 1.00 0.00 C ATOM 725 C GLY A 51 6.638 18.454 -2.698 1.00 0.00 C ATOM 726 O GLY A 51 6.193 18.975 -3.724 1.00 0.00 O ATOM 0 H GLY A 51 4.249 17.405 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.977 17.474 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.289 16.390 -2.255 1.00 0.00 H new ATOM 730 N GLU A 52 7.802 18.807 -2.149 1.00 0.00 N ATOM 731 CA GLU A 52 8.639 19.852 -2.733 1.00 0.00 C ATOM 732 C GLU A 52 9.363 19.339 -3.979 1.00 0.00 C ATOM 733 O GLU A 52 10.410 18.695 -3.878 1.00 0.00 O ATOM 734 CB GLU A 52 9.654 20.364 -1.708 1.00 0.00 C ATOM 735 CG GLU A 52 10.409 21.602 -2.166 1.00 0.00 C ATOM 736 CD GLU A 52 11.587 21.931 -1.274 1.00 0.00 C ATOM 737 OE1 GLU A 52 11.372 22.552 -0.211 1.00 0.00 O ATOM 738 OE2 GLU A 52 12.726 21.568 -1.636 1.00 0.00 O ATOM 0 H GLU A 52 8.184 18.385 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 52 7.990 20.677 -3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.135 20.589 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.370 19.571 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.762 21.451 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.726 22.452 -2.188 1.00 0.00 H new ATOM 745 N LEU A 53 8.789 19.635 -5.152 1.00 0.00 N ATOM 746 CA LEU A 53 9.356 19.218 -6.440 1.00 0.00 C ATOM 747 C LEU A 53 9.214 17.709 -6.646 1.00 0.00 C ATOM 748 O LEU A 53 8.524 17.264 -7.566 1.00 0.00 O ATOM 749 CB LEU A 53 10.831 19.626 -6.558 1.00 0.00 C ATOM 750 CG LEU A 53 11.159 21.058 -6.119 1.00 0.00 C ATOM 751 CD1 LEU A 53 12.575 21.135 -5.564 1.00 0.00 C ATOM 752 CD2 LEU A 53 10.985 22.028 -7.279 1.00 0.00 C ATOM 0 H LEU A 53 7.923 20.168 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 53 8.792 19.729 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.429 18.936 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.142 19.503 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 53 10.464 21.342 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.790 22.159 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.665 20.472 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.284 20.830 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.223 23.039 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.654 21.747 -8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.954 21.994 -7.630 1.00 0.00 H new ATOM 764 N TYR A 54 9.871 16.926 -5.788 1.00 0.00 N ATOM 765 CA TYR A 54 9.819 15.469 -5.877 1.00 0.00 C ATOM 766 C TYR A 54 9.097 14.878 -4.668 1.00 0.00 C ATOM 767 O TYR A 54 9.300 15.323 -3.536 1.00 0.00 O ATOM 768 CB TYR A 54 11.236 14.886 -5.972 1.00 0.00 C ATOM 769 CG TYR A 54 12.149 15.619 -6.938 1.00 0.00 C ATOM 770 CD1 TYR A 54 12.746 16.824 -6.581 1.00 0.00 C ATOM 771 CD2 TYR A 54 12.412 15.108 -8.204 1.00 0.00 C ATOM 772 CE1 TYR A 54 13.578 17.496 -7.455 1.00 0.00 C ATOM 773 CE2 TYR A 54 13.244 15.774 -9.084 1.00 0.00 C ATOM 774 CZ TYR A 54 13.825 16.968 -8.705 1.00 0.00 C ATOM 775 OH TYR A 54 14.651 17.634 -9.583 1.00 0.00 O ATOM 0 H TYR A 54 10.446 17.279 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 54 9.265 15.206 -6.778 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.689 14.900 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.167 13.842 -6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.555 17.241 -5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.959 14.175 -8.505 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.033 18.430 -7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.439 15.363 -10.063 1.00 0.00 H new ATOM 0 HH TYR A 54 14.719 17.125 -10.418 1.00 0.00 H new ATOM 785 N ASP A 55 8.255 13.874 -4.915 1.00 0.00 N ATOM 786 CA ASP A 55 7.503 13.222 -3.846 1.00 0.00 C ATOM 787 C ASP A 55 8.113 11.865 -3.499 1.00 0.00 C ATOM 788 O ASP A 55 8.309 11.020 -4.376 1.00 0.00 O ATOM 789 CB ASP A 55 6.038 13.052 -4.251 1.00 0.00 C ATOM 790 CG ASP A 55 5.169 12.597 -3.094 1.00 0.00 C ATOM 791 OD1 ASP A 55 4.716 13.463 -2.317 1.00 0.00 O ATOM 792 OD2 ASP A 55 4.944 11.375 -2.965 1.00 0.00 O ATOM 0 H ASP A 55 8.078 13.496 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 55 7.553 13.857 -2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.658 13.998 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.969 12.326 -5.061 1.00 0.00 H new ATOM 797 N HIS A 56 8.413 11.666 -2.214 1.00 0.00 N ATOM 798 CA HIS A 56 9.002 10.414 -1.746 1.00 0.00 C ATOM 799 C HIS A 56 8.024 9.639 -0.865 1.00 0.00 C ATOM 800 O HIS A 56 7.301 10.226 -0.058 1.00 0.00 O ATOM 801 CB HIS A 56 10.292 10.695 -0.971 1.00 0.00 C ATOM 802 CG HIS A 56 11.496 10.011 -1.543 1.00 0.00 C ATOM 803 ND1 HIS A 56 12.441 9.375 -0.765 1.00 0.00 N ATOM 804 CD2 HIS A 56 11.905 9.863 -2.825 1.00 0.00 C ATOM 805 CE1 HIS A 56 13.380 8.868 -1.544 1.00 0.00 C ATOM 806 NE2 HIS A 56 13.078 9.150 -2.798 1.00 0.00 N ATOM 0 H HIS A 56 8.257 12.357 -1.480 1.00 0.00 H new ATOM 0 HA HIS A 56 9.232 9.803 -2.619 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.469 11.770 -0.954 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.161 10.377 0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.402 10.236 -3.705 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.247 8.317 -1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.627 8.882 -3.615 1.00 0.00 H new ATOM 815 N ILE A 57 8.016 8.313 -1.023 1.00 0.00 N ATOM 816 CA ILE A 57 7.137 7.443 -0.248 1.00 0.00 C ATOM 817 C ILE A 57 7.816 6.104 0.014 1.00 0.00 C ATOM 818 O ILE A 57 8.344 5.479 -0.909 1.00 0.00 O ATOM 819 CB ILE A 57 5.792 7.189 -0.971 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.233 8.493 -1.554 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.789 6.552 -0.018 1.00 0.00 C ATOM 822 CD1 ILE A 57 3.925 8.316 -2.297 1.00 0.00 C ATOM 0 H ILE A 57 8.614 7.819 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 57 6.933 7.952 0.694 1.00 0.00 H new ATOM 0 HB ILE A 57 5.970 6.499 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.087 9.209 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.970 8.923 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.849 6.380 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.183 5.602 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.617 7.218 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.591 9.280 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.069 7.625 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.172 7.915 -1.618 1.00 0.00 H new ATOM 834 N ASN A 58 7.802 5.668 1.269 1.00 0.00 N ATOM 835 CA ASN A 58 8.424 4.403 1.640 1.00 0.00 C ATOM 836 C ASN A 58 7.378 3.304 1.810 1.00 0.00 C ATOM 837 O ASN A 58 6.250 3.562 2.240 1.00 0.00 O ATOM 838 CB ASN A 58 9.233 4.563 2.930 1.00 0.00 C ATOM 839 CG ASN A 58 10.728 4.610 2.679 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.250 5.603 2.172 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.425 3.534 3.028 1.00 0.00 N ATOM 0 H ASN A 58 7.368 6.170 2.044 1.00 0.00 H new ATOM 0 HA ASN A 58 9.097 4.112 0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.925 5.477 3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.007 3.735 3.601 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.434 3.509 2.879 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.951 2.733 3.445 1.00 0.00 H new ATOM 848 N VAL A 59 7.755 2.075 1.468 1.00 0.00 N ATOM 849 CA VAL A 59 6.851 0.933 1.579 1.00 0.00 C ATOM 850 C VAL A 59 7.593 -0.313 2.078 1.00 0.00 C ATOM 851 O VAL A 59 8.804 -0.441 1.884 1.00 0.00 O ATOM 852 CB VAL A 59 6.172 0.628 0.225 1.00 0.00 C ATOM 853 CG1 VAL A 59 7.205 0.245 -0.829 1.00 0.00 C ATOM 854 CG2 VAL A 59 5.124 -0.465 0.379 1.00 0.00 C ATOM 0 H VAL A 59 8.682 1.844 1.111 1.00 0.00 H new ATOM 0 HA VAL A 59 6.083 1.197 2.305 1.00 0.00 H new ATOM 0 HB VAL A 59 5.669 1.535 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.701 0.035 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.906 1.068 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.747 -0.642 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.660 -0.662 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.599 -1.375 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.362 -0.141 1.088 1.00 0.00 H new ATOM 864 N LEU A 60 6.858 -1.227 2.718 1.00 0.00 N ATOM 865 CA LEU A 60 7.443 -2.459 3.240 1.00 0.00 C ATOM 866 C LEU A 60 6.716 -3.685 2.693 1.00 0.00 C ATOM 867 O LEU A 60 5.512 -3.841 2.895 1.00 0.00 O ATOM 868 CB LEU A 60 7.391 -2.466 4.771 1.00 0.00 C ATOM 869 CG LEU A 60 8.663 -2.968 5.459 1.00 0.00 C ATOM 870 CD1 LEU A 60 9.738 -1.892 5.436 1.00 0.00 C ATOM 871 CD2 LEU A 60 8.363 -3.396 6.889 1.00 0.00 C ATOM 0 H LEU A 60 5.856 -1.134 2.886 1.00 0.00 H new ATOM 0 HA LEU A 60 8.483 -2.500 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.184 -1.453 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.554 -3.088 5.088 1.00 0.00 H new ATOM 0 HG LEU A 60 9.033 -3.836 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.636 -2.264 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.972 -1.633 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.378 -1.006 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.279 -3.750 7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.970 -2.547 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.625 -4.198 6.881 1.00 0.00 H new ATOM 883 N ARG A 61 7.458 -4.555 2.006 1.00 0.00 N ATOM 884 CA ARG A 61 6.888 -5.774 1.437 1.00 0.00 C ATOM 885 C ARG A 61 7.694 -6.998 1.870 1.00 0.00 C ATOM 886 O ARG A 61 8.632 -7.410 1.186 1.00 0.00 O ATOM 887 CB ARG A 61 6.841 -5.685 -0.092 1.00 0.00 C ATOM 888 CG ARG A 61 5.682 -6.454 -0.705 1.00 0.00 C ATOM 889 CD ARG A 61 5.954 -7.949 -0.742 1.00 0.00 C ATOM 890 NE ARG A 61 6.909 -8.317 -1.791 1.00 0.00 N ATOM 891 CZ ARG A 61 7.508 -9.508 -1.869 1.00 0.00 C ATOM 892 NH1 ARG A 61 7.254 -10.446 -0.960 1.00 0.00 N ATOM 893 NH2 ARG A 61 8.359 -9.761 -2.856 1.00 0.00 N ATOM 0 H ARG A 61 8.456 -4.437 1.831 1.00 0.00 H new ATOM 0 HA ARG A 61 5.869 -5.879 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.769 -4.638 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.777 -6.067 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.775 -6.264 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.500 -6.092 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.340 -8.269 0.226 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.017 -8.482 -0.904 1.00 0.00 H new ATOM 0 HE ARG A 61 7.129 -7.622 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.600 -10.256 -0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.713 -11.355 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.556 -9.045 -3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.816 -10.671 -2.915 1.00 0.00 H new ATOM 907 N ASN A 62 7.320 -7.569 3.018 1.00 0.00 N ATOM 908 CA ASN A 62 8.003 -8.746 3.568 1.00 0.00 C ATOM 909 C ASN A 62 9.500 -8.487 3.788 1.00 0.00 C ATOM 910 O ASN A 62 10.286 -9.431 3.913 1.00 0.00 O ATOM 911 CB ASN A 62 7.807 -9.956 2.645 1.00 0.00 C ATOM 912 CG ASN A 62 6.634 -10.817 3.071 1.00 0.00 C ATOM 913 OD1 ASN A 62 5.585 -10.815 2.430 1.00 0.00 O ATOM 914 ND2 ASN A 62 6.808 -11.561 4.158 1.00 0.00 N ATOM 0 H ASN A 62 6.544 -7.234 3.588 1.00 0.00 H new ATOM 0 HA ASN A 62 7.557 -8.958 4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.649 -9.610 1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.715 -10.559 2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.054 -12.162 4.491 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.696 -11.532 4.659 1.00 0.00 H new ATOM 921 N GLY A 63 9.895 -7.209 3.838 1.00 0.00 N ATOM 922 CA GLY A 63 11.291 -6.865 4.044 1.00 0.00 C ATOM 923 C GLY A 63 12.075 -6.796 2.743 1.00 0.00 C ATOM 924 O GLY A 63 13.295 -6.956 2.744 1.00 0.00 O ATOM 0 H GLY A 63 9.269 -6.410 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.353 -5.903 4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.750 -7.603 4.702 1.00 0.00 H new ATOM 928 N GLU A 64 11.372 -6.564 1.632 1.00 0.00 N ATOM 929 CA GLU A 64 12.007 -6.478 0.324 1.00 0.00 C ATOM 930 C GLU A 64 12.159 -5.027 -0.121 1.00 0.00 C ATOM 931 O GLU A 64 11.556 -4.119 0.458 1.00 0.00 O ATOM 932 CB GLU A 64 11.196 -7.259 -0.710 1.00 0.00 C ATOM 933 CG GLU A 64 12.033 -7.816 -1.851 1.00 0.00 C ATOM 934 CD GLU A 64 11.256 -8.776 -2.727 1.00 0.00 C ATOM 935 OE1 GLU A 64 11.212 -9.980 -2.397 1.00 0.00 O ATOM 936 OE2 GLU A 64 10.684 -8.319 -3.740 1.00 0.00 O ATOM 0 H GLU A 64 10.361 -6.433 1.617 1.00 0.00 H new ATOM 0 HA GLU A 64 13.002 -6.916 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.685 -8.082 -0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.425 -6.607 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.404 -6.992 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.904 -8.327 -1.442 1.00 0.00 H new ATOM 943 N ALA A 65 12.975 -4.822 -1.150 1.00 0.00 N ATOM 944 CA ALA A 65 13.228 -3.490 -1.683 1.00 0.00 C ATOM 945 C ALA A 65 12.392 -3.218 -2.934 1.00 0.00 C ATOM 946 O ALA A 65 12.722 -3.693 -4.022 1.00 0.00 O ATOM 947 CB ALA A 65 14.711 -3.322 -1.988 1.00 0.00 C ATOM 0 H ALA A 65 13.475 -5.568 -1.634 1.00 0.00 H new ATOM 0 HA ALA A 65 12.934 -2.763 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.890 -2.323 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.288 -3.457 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.018 -4.066 -2.723 1.00 0.00 H new ATOM 953 N ALA A 66 11.316 -2.436 -2.765 1.00 0.00 N ATOM 954 CA ALA A 66 10.421 -2.072 -3.869 1.00 0.00 C ATOM 955 C ALA A 66 9.723 -3.294 -4.470 1.00 0.00 C ATOM 956 O ALA A 66 10.338 -4.079 -5.193 1.00 0.00 O ATOM 957 CB ALA A 66 11.184 -1.307 -4.942 1.00 0.00 C ATOM 0 H ALA A 66 11.044 -2.041 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 66 9.644 -1.426 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.506 -1.045 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.604 -0.398 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.990 -1.930 -5.330 1.00 0.00 H new ATOM 963 N ALA A 67 8.432 -3.440 -4.167 1.00 0.00 N ATOM 964 CA ALA A 67 7.636 -4.558 -4.674 1.00 0.00 C ATOM 965 C ALA A 67 6.611 -4.085 -5.705 1.00 0.00 C ATOM 966 O ALA A 67 6.304 -2.894 -5.783 1.00 0.00 O ATOM 967 CB ALA A 67 6.934 -5.262 -3.523 1.00 0.00 C ATOM 0 H ALA A 67 7.914 -2.795 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 67 8.311 -5.259 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.344 -6.093 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.677 -5.641 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.277 -4.558 -3.012 1.00 0.00 H new ATOM 973 N LEU A 68 6.084 -5.028 -6.492 1.00 0.00 N ATOM 974 CA LEU A 68 5.092 -4.708 -7.521 1.00 0.00 C ATOM 975 C LEU A 68 4.465 -5.973 -8.112 1.00 0.00 C ATOM 976 O LEU A 68 3.264 -6.205 -7.964 1.00 0.00 O ATOM 977 CB LEU A 68 5.731 -3.873 -8.639 1.00 0.00 C ATOM 978 CG LEU A 68 4.774 -2.948 -9.397 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.541 -2.086 -10.388 1.00 0.00 C ATOM 980 CD2 LEU A 68 3.697 -3.750 -10.117 1.00 0.00 C ATOM 0 H LEU A 68 6.328 -6.017 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 68 4.301 -4.129 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.528 -3.268 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.197 -4.551 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 68 4.287 -2.298 -8.671 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.846 -1.435 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.271 -1.479 -9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.056 -2.726 -11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.030 -3.070 -10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.165 -4.429 -10.830 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.124 -4.325 -9.390 1.00 0.00 H new ATOM 992 N GLY A 69 5.280 -6.780 -8.795 1.00 0.00 N ATOM 993 CA GLY A 69 4.780 -7.997 -9.408 1.00 0.00 C ATOM 994 C GLY A 69 4.933 -9.216 -8.522 1.00 0.00 C ATOM 995 O GLY A 69 5.647 -10.155 -8.877 1.00 0.00 O ATOM 0 H GLY A 69 6.276 -6.610 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.727 -7.865 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.309 -8.168 -10.346 1.00 0.00 H new ATOM 999 N GLU A 70 4.253 -9.208 -7.374 1.00 0.00 N ATOM 1000 CA GLU A 70 4.320 -10.336 -6.447 1.00 0.00 C ATOM 1001 C GLU A 70 2.934 -10.905 -6.133 1.00 0.00 C ATOM 1002 O GLU A 70 2.708 -11.437 -5.045 1.00 0.00 O ATOM 1003 CB GLU A 70 5.026 -9.931 -5.153 1.00 0.00 C ATOM 1004 CG GLU A 70 6.003 -10.987 -4.658 1.00 0.00 C ATOM 1005 CD GLU A 70 7.318 -11.005 -5.427 1.00 0.00 C ATOM 1006 OE1 GLU A 70 7.453 -10.252 -6.415 1.00 0.00 O ATOM 1007 OE2 GLU A 70 8.216 -11.776 -5.036 1.00 0.00 O ATOM 0 H GLU A 70 3.656 -8.440 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 70 4.897 -11.119 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.561 -8.995 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.280 -9.743 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.211 -10.812 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.534 -11.968 -4.732 1.00 0.00 H new ATOM 1014 N ALA A 71 2.013 -10.808 -7.095 1.00 0.00 N ATOM 1015 CA ALA A 71 0.655 -11.334 -6.924 1.00 0.00 C ATOM 1016 C ALA A 71 0.662 -12.836 -6.618 1.00 0.00 C ATOM 1017 O ALA A 71 -0.294 -13.362 -6.049 1.00 0.00 O ATOM 1018 CB ALA A 71 -0.175 -11.064 -8.169 1.00 0.00 C ATOM 0 H ALA A 71 2.182 -10.370 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 71 0.209 -10.820 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.181 -11.460 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.229 -9.990 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.289 -11.549 -9.028 1.00 0.00 H new ATOM 1024 N THR A 72 1.743 -13.521 -7.004 1.00 0.00 N ATOM 1025 CA THR A 72 1.871 -14.958 -6.773 1.00 0.00 C ATOM 1026 C THR A 72 2.223 -15.256 -5.313 1.00 0.00 C ATOM 1027 O THR A 72 1.934 -16.343 -4.809 1.00 0.00 O ATOM 1028 CB THR A 72 2.936 -15.554 -7.705 1.00 0.00 C ATOM 1029 OG1 THR A 72 3.004 -16.963 -7.564 1.00 0.00 O ATOM 1030 CG2 THR A 72 4.328 -15.005 -7.461 1.00 0.00 C ATOM 0 H THR A 72 2.542 -13.100 -7.478 1.00 0.00 H new ATOM 0 HA THR A 72 0.908 -15.420 -6.990 1.00 0.00 H new ATOM 0 HB THR A 72 2.620 -15.272 -8.709 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.688 -17.320 -8.169 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.029 -15.470 -8.154 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.326 -13.926 -7.616 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.631 -15.224 -6.437 1.00 0.00 H new ATOM 1038 N ALA A 73 2.847 -14.286 -4.638 1.00 0.00 N ATOM 1039 CA ALA A 73 3.232 -14.453 -3.242 1.00 0.00 C ATOM 1040 C ALA A 73 2.000 -14.525 -2.343 1.00 0.00 C ATOM 1041 O ALA A 73 0.940 -14.000 -2.686 1.00 0.00 O ATOM 1042 CB ALA A 73 4.146 -13.318 -2.805 1.00 0.00 C ATOM 0 H ALA A 73 3.094 -13.381 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 73 3.775 -15.393 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.425 -13.457 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.044 -13.315 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.625 -12.367 -2.918 1.00 0.00 H new ATOM 1048 N ALA A 74 2.149 -15.177 -1.189 1.00 0.00 N ATOM 1049 CA ALA A 74 1.052 -15.317 -0.235 1.00 0.00 C ATOM 1050 C ALA A 74 0.845 -14.019 0.551 1.00 0.00 C ATOM 1051 O ALA A 74 1.078 -13.969 1.762 1.00 0.00 O ATOM 1052 CB ALA A 74 1.316 -16.485 0.708 1.00 0.00 C ATOM 0 H ALA A 74 3.021 -15.616 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 74 0.137 -15.522 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.490 -16.577 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.405 -17.406 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.242 -16.309 1.255 1.00 0.00 H new ATOM 1058 N GLY A 75 0.412 -12.971 -0.150 1.00 0.00 N ATOM 1059 CA GLY A 75 0.185 -11.686 0.489 1.00 0.00 C ATOM 1060 C GLY A 75 0.469 -10.516 -0.438 1.00 0.00 C ATOM 1061 O GLY A 75 0.746 -10.708 -1.623 1.00 0.00 O ATOM 0 H GLY A 75 0.215 -12.991 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.849 -11.632 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.818 -11.607 1.373 1.00 0.00 H new ATOM 1065 N ASP A 76 0.406 -9.300 0.109 1.00 0.00 N ATOM 1066 CA ASP A 76 0.660 -8.091 -0.670 1.00 0.00 C ATOM 1067 C ASP A 76 1.876 -7.348 -0.130 1.00 0.00 C ATOM 1068 O ASP A 76 2.938 -7.351 -0.751 1.00 0.00 O ATOM 1069 CB ASP A 76 -0.567 -7.173 -0.660 1.00 0.00 C ATOM 1070 CG ASP A 76 -1.715 -7.725 -1.484 1.00 0.00 C ATOM 1071 OD1 ASP A 76 -1.569 -7.815 -2.722 1.00 0.00 O ATOM 1072 OD2 ASP A 76 -2.757 -8.069 -0.888 1.00 0.00 O ATOM 0 H ASP A 76 0.181 -9.129 1.089 1.00 0.00 H new ATOM 0 HA ASP A 76 0.863 -8.389 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.899 -7.028 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.286 -6.193 -1.046 1.00 0.00 H new ATOM 1077 N GLU A 77 1.710 -6.716 1.030 1.00 0.00 N ATOM 1078 CA GLU A 77 2.788 -5.968 1.670 1.00 0.00 C ATOM 1079 C GLU A 77 2.638 -5.998 3.192 1.00 0.00 C ATOM 1080 O GLU A 77 1.824 -6.754 3.727 1.00 0.00 O ATOM 1081 CB GLU A 77 2.802 -4.516 1.159 1.00 0.00 C ATOM 1082 CG GLU A 77 1.528 -3.741 1.469 1.00 0.00 C ATOM 1083 CD GLU A 77 1.793 -2.301 1.874 1.00 0.00 C ATOM 1084 OE1 GLU A 77 2.406 -1.560 1.076 1.00 0.00 O ATOM 1085 OE2 GLU A 77 1.378 -1.909 2.983 1.00 0.00 O ATOM 0 H GLU A 77 0.832 -6.708 1.549 1.00 0.00 H new ATOM 0 HA GLU A 77 3.736 -6.439 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.650 -3.994 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.959 -4.522 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.880 -3.753 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.989 -4.245 2.271 1.00 0.00 H new ATOM 1092 N LEU A 78 3.423 -5.175 3.880 1.00 0.00 N ATOM 1093 CA LEU A 78 3.372 -5.102 5.335 1.00 0.00 C ATOM 1094 C LEU A 78 2.848 -3.738 5.782 1.00 0.00 C ATOM 1095 O LEU A 78 1.949 -3.654 6.619 1.00 0.00 O ATOM 1096 CB LEU A 78 4.759 -5.355 5.934 1.00 0.00 C ATOM 1097 CG LEU A 78 5.221 -6.816 5.919 1.00 0.00 C ATOM 1098 CD1 LEU A 78 6.702 -6.909 6.257 1.00 0.00 C ATOM 1099 CD2 LEU A 78 4.396 -7.647 6.893 1.00 0.00 C ATOM 0 H LEU A 78 4.104 -4.548 3.451 1.00 0.00 H new ATOM 0 HA LEU A 78 2.691 -5.874 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.487 -4.755 5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.762 -5.001 6.965 1.00 0.00 H new ATOM 0 HG LEU A 78 5.071 -7.215 4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.014 -7.953 6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.279 -6.347 5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.876 -6.493 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.738 -8.682 6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.514 -7.249 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.345 -7.606 6.607 1.00 0.00 H new ATOM 1111 N ALA A 79 3.415 -2.669 5.214 1.00 0.00 N ATOM 1112 CA ALA A 79 3.006 -1.307 5.551 1.00 0.00 C ATOM 1113 C ALA A 79 3.475 -0.307 4.488 1.00 0.00 C ATOM 1114 O ALA A 79 4.312 -0.633 3.646 1.00 0.00 O ATOM 1115 CB ALA A 79 3.556 -0.921 6.915 1.00 0.00 C ATOM 0 H ALA A 79 4.159 -2.724 4.518 1.00 0.00 H new ATOM 0 HA ALA A 79 1.917 -1.277 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.246 0.095 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.172 -1.607 7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.645 -0.974 6.897 1.00 0.00 H new ATOM 1121 N LEU A 80 2.936 0.913 4.538 1.00 0.00 N ATOM 1122 CA LEU A 80 3.301 1.962 3.584 1.00 0.00 C ATOM 1123 C LEU A 80 3.262 3.343 4.247 1.00 0.00 C ATOM 1124 O LEU A 80 2.195 3.838 4.612 1.00 0.00 O ATOM 1125 CB LEU A 80 2.364 1.930 2.370 1.00 0.00 C ATOM 1126 CG LEU A 80 2.851 2.725 1.153 1.00 0.00 C ATOM 1127 CD1 LEU A 80 2.552 1.973 -0.137 1.00 0.00 C ATOM 1128 CD2 LEU A 80 2.213 4.106 1.126 1.00 0.00 C ATOM 0 H LEU A 80 2.244 1.199 5.231 1.00 0.00 H new ATOM 0 HA LEU A 80 4.320 1.773 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.216 0.892 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.390 2.317 2.671 1.00 0.00 H new ATOM 0 HG LEU A 80 3.931 2.846 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.906 2.555 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.059 1.008 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.477 1.817 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.571 4.655 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.129 4.005 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.481 4.649 2.032 1.00 0.00 H new ATOM 1140 N PHE A 81 4.435 3.956 4.407 1.00 0.00 N ATOM 1141 CA PHE A 81 4.532 5.278 5.035 1.00 0.00 C ATOM 1142 C PHE A 81 5.740 6.060 4.512 1.00 0.00 C ATOM 1143 O PHE A 81 6.706 5.471 4.033 1.00 0.00 O ATOM 1144 CB PHE A 81 4.619 5.140 6.564 1.00 0.00 C ATOM 1145 CG PHE A 81 5.508 4.015 7.033 1.00 0.00 C ATOM 1146 CD1 PHE A 81 6.863 4.010 6.738 1.00 0.00 C ATOM 1147 CD2 PHE A 81 4.985 2.965 7.770 1.00 0.00 C ATOM 1148 CE1 PHE A 81 7.676 2.980 7.167 1.00 0.00 C ATOM 1149 CE2 PHE A 81 5.794 1.931 8.201 1.00 0.00 C ATOM 1150 CZ PHE A 81 7.142 1.940 7.900 1.00 0.00 C ATOM 0 H PHE A 81 5.329 3.562 4.113 1.00 0.00 H new ATOM 0 HA PHE A 81 3.631 5.833 4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.987 6.077 6.982 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.616 4.985 6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.287 4.822 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.932 2.954 8.011 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.729 2.988 6.929 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.373 1.117 8.772 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.777 1.134 8.238 1.00 0.00 H new ATOM 1160 N PRO A 82 5.707 7.403 4.605 1.00 0.00 N ATOM 1161 CA PRO A 82 6.810 8.254 4.142 1.00 0.00 C ATOM 1162 C PRO A 82 8.070 8.092 4.997 1.00 0.00 C ATOM 1163 O PRO A 82 7.986 7.739 6.176 1.00 0.00 O ATOM 1164 CB PRO A 82 6.250 9.673 4.274 1.00 0.00 C ATOM 1165 CG PRO A 82 5.194 9.569 5.320 1.00 0.00 C ATOM 1166 CD PRO A 82 4.599 8.197 5.172 1.00 0.00 C ATOM 0 HA PRO A 82 7.121 7.999 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.027 10.380 4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.837 10.025 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.616 9.706 6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.435 10.340 5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.268 7.797 6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.731 8.204 4.512 1.00 0.00 H new ATOM 1174 N PRO A 83 9.256 8.343 4.410 1.00 0.00 N ATOM 1175 CA PRO A 83 10.534 8.222 5.124 1.00 0.00 C ATOM 1176 C PRO A 83 10.719 9.303 6.191 1.00 0.00 C ATOM 1177 O PRO A 83 11.179 9.015 7.296 1.00 0.00 O ATOM 1178 CB PRO A 83 11.580 8.375 4.016 1.00 0.00 C ATOM 1179 CG PRO A 83 10.895 9.153 2.944 1.00 0.00 C ATOM 1180 CD PRO A 83 9.443 8.764 3.006 1.00 0.00 C ATOM 0 HA PRO A 83 10.604 7.280 5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.465 8.897 4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.911 7.404 3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.018 10.225 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.318 8.924 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.793 9.600 2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.214 7.956 2.311 1.00 0.00 H new