USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 412 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 Set 1.1: A 8 SER OG : rot 71:sc= -1.06 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.979 K(o=-6.9,f=-19!) USER MOD Set 1.3: A 40 ASN : amide:sc= -4.87 K(o=-6.9,f=-20!) USER MOD Single : A 1 ILE N :NH3+ 166:sc= -0.0311 (180deg=-0.264) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -48:sc= 0.257 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.38 USER MOD Single : A 23 ASN : amide:sc= 0.0297 X(o=0.03,f=-0.028) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -6:sc= -0.123 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.411 13.363 2.677 1.00 0.00 N ATOM 2 CA ILE A 1 4.787 12.858 1.331 1.00 0.00 C ATOM 3 C ILE A 1 6.170 12.208 1.357 1.00 0.00 C ATOM 4 O ILE A 1 6.898 12.230 0.366 1.00 0.00 O ATOM 5 CB ILE A 1 4.768 13.997 0.285 1.00 0.00 C ATOM 6 CG1 ILE A 1 4.823 13.432 -1.138 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.920 14.966 0.521 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.777 12.372 -1.412 1.00 0.00 C ATOM 0 H1 ILE A 1 3.593 14.000 2.593 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.164 12.561 3.292 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.212 13.882 3.089 1.00 0.00 H new ATOM 0 HA ILE A 1 4.050 12.107 1.047 1.00 0.00 H new ATOM 0 HB ILE A 1 3.832 14.543 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 1 4.695 14.248 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 1 5.812 13.008 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.887 15.759 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.831 15.401 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 1 6.867 14.432 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 1 3.877 12.019 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 1 3.917 11.537 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 1 2.783 12.796 -1.270 1.00 0.00 H new ATOM 22 N ASP A 2 6.524 11.632 2.501 1.00 0.00 N ATOM 23 CA ASP A 2 7.818 10.977 2.658 1.00 0.00 C ATOM 24 C ASP A 2 7.669 9.461 2.604 1.00 0.00 C ATOM 25 O ASP A 2 8.411 8.777 1.898 1.00 0.00 O ATOM 26 CB ASP A 2 8.460 11.383 3.984 1.00 0.00 C ATOM 27 CG ASP A 2 8.475 12.885 4.185 1.00 0.00 C ATOM 28 OD1 ASP A 2 8.926 13.602 3.267 1.00 0.00 O ATOM 29 OD2 ASP A 2 8.038 13.343 5.262 1.00 0.00 O ATOM 0 H ASP A 2 5.934 11.605 3.332 1.00 0.00 H new ATOM 0 HA ASP A 2 8.459 11.295 1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.917 10.915 4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.482 11.004 4.020 1.00 0.00 H new ATOM 34 N THR A 3 6.707 8.943 3.358 1.00 0.00 N ATOM 35 CA THR A 3 6.457 7.507 3.398 1.00 0.00 C ATOM 36 C THR A 3 5.445 7.104 2.329 1.00 0.00 C ATOM 37 O THR A 3 5.403 5.950 1.906 1.00 0.00 O ATOM 38 CB THR A 3 5.947 7.098 4.780 1.00 0.00 C ATOM 39 OG1 THR A 3 6.914 7.388 5.776 1.00 0.00 O ATOM 40 CG2 THR A 3 5.608 5.627 4.885 1.00 0.00 C ATOM 0 H THR A 3 6.087 9.496 3.950 1.00 0.00 H new ATOM 0 HA THR A 3 7.396 6.991 3.198 1.00 0.00 H new ATOM 0 HB THR A 3 5.035 7.675 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.570 7.121 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.253 5.406 5.892 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.829 5.381 4.163 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.498 5.033 4.676 1.00 0.00 H new ATOM 48 N CYS A 4 4.632 8.062 1.898 1.00 0.00 N ATOM 49 CA CYS A 4 3.622 7.805 0.879 1.00 0.00 C ATOM 50 C CYS A 4 4.246 7.750 -0.515 1.00 0.00 C ATOM 51 O CYS A 4 3.613 7.293 -1.466 1.00 0.00 O ATOM 52 CB CYS A 4 2.540 8.887 0.920 1.00 0.00 C ATOM 53 SG CYS A 4 2.013 9.353 2.601 1.00 0.00 S ATOM 0 H CYS A 4 4.653 9.023 2.238 1.00 0.00 H new ATOM 0 HA CYS A 4 3.171 6.836 1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.911 9.775 0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.671 8.537 0.363 1.00 0.00 H new ATOM 58 N ARG A 5 5.486 8.219 -0.632 1.00 0.00 N ATOM 59 CA ARG A 5 6.179 8.220 -1.917 1.00 0.00 C ATOM 60 C ARG A 5 7.051 6.975 -2.091 1.00 0.00 C ATOM 61 O ARG A 5 7.710 6.813 -3.118 1.00 0.00 O ATOM 62 CB ARG A 5 7.037 9.479 -2.055 1.00 0.00 C ATOM 63 CG ARG A 5 8.181 9.546 -1.056 1.00 0.00 C ATOM 64 CD ARG A 5 8.990 10.822 -1.217 1.00 0.00 C ATOM 65 NE ARG A 5 9.916 11.025 -0.105 1.00 0.00 N ATOM 66 CZ ARG A 5 10.880 11.943 -0.101 1.00 0.00 C ATOM 67 NH1 ARG A 5 11.043 12.747 -1.143 1.00 0.00 N ATOM 68 NH2 ARG A 5 11.680 12.058 0.951 1.00 0.00 N ATOM 0 H ARG A 5 6.029 8.601 0.143 1.00 0.00 H new ATOM 0 HA ARG A 5 5.420 8.210 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.444 9.523 -3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.403 10.357 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.783 9.492 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.832 8.682 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.549 10.782 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.314 11.674 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 5 9.818 10.428 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.428 12.664 -1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.783 13.449 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.556 11.443 1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.419 12.761 0.955 1.00 0.00 H new ATOM 82 N LEU A 6 7.056 6.098 -1.089 1.00 0.00 N ATOM 83 CA LEU A 6 7.854 4.877 -1.151 1.00 0.00 C ATOM 84 C LEU A 6 7.097 3.764 -1.873 1.00 0.00 C ATOM 85 O LEU A 6 5.875 3.667 -1.770 1.00 0.00 O ATOM 86 CB LEU A 6 8.236 4.413 0.257 1.00 0.00 C ATOM 87 CG LEU A 6 8.497 5.530 1.268 1.00 0.00 C ATOM 88 CD1 LEU A 6 9.025 4.954 2.573 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.474 6.549 0.700 1.00 0.00 C ATOM 0 H LEU A 6 6.519 6.210 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 6 8.762 5.101 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.438 3.778 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.130 3.793 0.187 1.00 0.00 H new ATOM 0 HG LEU A 6 7.554 6.037 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.205 5.763 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.291 4.264 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.957 4.422 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.647 7.336 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.418 6.057 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.058 6.985 -0.208 1.00 0.00 H new ATOM 101 N PRO A 7 7.818 2.906 -2.618 1.00 0.00 N ATOM 102 CA PRO A 7 7.217 1.800 -3.357 1.00 0.00 C ATOM 103 C PRO A 7 7.084 0.537 -2.511 1.00 0.00 C ATOM 104 O PRO A 7 8.081 -0.099 -2.169 1.00 0.00 O ATOM 105 CB PRO A 7 8.219 1.583 -4.483 1.00 0.00 C ATOM 106 CG PRO A 7 9.542 1.911 -3.872 1.00 0.00 C ATOM 107 CD PRO A 7 9.281 2.950 -2.804 1.00 0.00 C ATOM 0 HA PRO A 7 6.202 2.019 -3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.193 0.555 -4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.004 2.227 -5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.001 1.021 -3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 7 10.232 2.294 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.809 2.715 -1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.614 3.939 -3.118 1.00 0.00 H new ATOM 115 N SER A 8 5.849 0.176 -2.177 1.00 0.00 N ATOM 116 CA SER A 8 5.593 -1.015 -1.373 1.00 0.00 C ATOM 117 C SER A 8 5.533 -2.260 -2.251 1.00 0.00 C ATOM 118 O SER A 8 4.948 -2.239 -3.333 1.00 0.00 O ATOM 119 CB SER A 8 4.280 -0.866 -0.598 1.00 0.00 C ATOM 120 OG SER A 8 4.521 -0.674 0.785 1.00 0.00 O ATOM 0 H SER A 8 5.011 0.690 -2.450 1.00 0.00 H new ATOM 0 HA SER A 8 6.415 -1.125 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.716 -0.021 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.666 -1.755 -0.743 1.00 0.00 H new ATOM 0 HG SER A 8 4.906 0.216 0.930 1.00 0.00 H new ATOM 126 N ASP A 9 6.136 -3.344 -1.775 1.00 0.00 N ATOM 127 CA ASP A 9 6.139 -4.597 -2.518 1.00 0.00 C ATOM 128 C ASP A 9 4.992 -5.490 -2.060 1.00 0.00 C ATOM 129 O ASP A 9 4.570 -5.430 -0.906 1.00 0.00 O ATOM 130 CB ASP A 9 7.473 -5.323 -2.334 1.00 0.00 C ATOM 131 CG ASP A 9 7.813 -6.216 -3.511 1.00 0.00 C ATOM 132 OD1 ASP A 9 8.107 -5.679 -4.599 1.00 0.00 O ATOM 133 OD2 ASP A 9 7.783 -7.453 -3.343 1.00 0.00 O ATOM 0 H ASP A 9 6.627 -3.380 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 9 6.006 -4.369 -3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.267 -4.589 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.434 -5.924 -1.425 1.00 0.00 H new ATOM 138 N ARG A 10 4.485 -6.315 -2.967 1.00 0.00 N ATOM 139 CA ARG A 10 3.388 -7.212 -2.643 1.00 0.00 C ATOM 140 C ARG A 10 3.902 -8.558 -2.135 1.00 0.00 C ATOM 141 O ARG A 10 3.123 -9.396 -1.683 1.00 0.00 O ATOM 142 CB ARG A 10 2.505 -7.416 -3.870 1.00 0.00 C ATOM 143 CG ARG A 10 3.275 -7.868 -5.101 1.00 0.00 C ATOM 144 CD ARG A 10 2.815 -9.234 -5.579 1.00 0.00 C ATOM 145 NE ARG A 10 1.537 -9.161 -6.281 1.00 0.00 N ATOM 146 CZ ARG A 10 1.313 -9.705 -7.482 1.00 0.00 C ATOM 147 NH1 ARG A 10 2.275 -10.372 -8.111 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.124 -9.589 -8.058 1.00 0.00 N ATOM 0 H ARG A 10 4.816 -6.380 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 10 2.801 -6.756 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.739 -8.156 -3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.989 -6.483 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.144 -7.139 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.340 -7.902 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.569 -9.660 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.723 -9.906 -4.726 1.00 0.00 H new ATOM 0 HE ARG A 10 0.769 -8.665 -5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.193 -10.472 -7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.095 -10.784 -9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.625 -9.083 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.042 -10.006 -8.974 1.00 0.00 H new ATOM 162 N GLY A 11 5.214 -8.758 -2.201 1.00 0.00 N ATOM 163 CA GLY A 11 5.795 -10.000 -1.734 1.00 0.00 C ATOM 164 C GLY A 11 5.212 -11.219 -2.421 1.00 0.00 C ATOM 165 O GLY A 11 4.072 -11.602 -2.161 1.00 0.00 O ATOM 0 H GLY A 11 5.883 -8.082 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.872 -9.976 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.640 -10.086 -0.659 1.00 0.00 H new ATOM 169 N ARG A 12 6.000 -11.838 -3.291 1.00 0.00 N ATOM 170 CA ARG A 12 5.556 -13.029 -4.005 1.00 0.00 C ATOM 171 C ARG A 12 5.483 -14.233 -3.065 1.00 0.00 C ATOM 172 O ARG A 12 4.998 -15.298 -3.448 1.00 0.00 O ATOM 173 CB ARG A 12 6.501 -13.333 -5.168 1.00 0.00 C ATOM 174 CG ARG A 12 6.393 -12.341 -6.314 1.00 0.00 C ATOM 175 CD ARG A 12 6.989 -12.902 -7.594 1.00 0.00 C ATOM 176 NE ARG A 12 5.963 -13.429 -8.492 1.00 0.00 N ATOM 177 CZ ARG A 12 6.166 -13.684 -9.782 1.00 0.00 C ATOM 178 NH1 ARG A 12 7.355 -13.463 -10.330 1.00 0.00 N ATOM 179 NH2 ARG A 12 5.178 -14.163 -10.526 1.00 0.00 N ATOM 0 H ARG A 12 6.947 -11.536 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 12 4.558 -12.836 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.527 -13.340 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.291 -14.334 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.346 -12.087 -6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.906 -11.417 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.551 -12.120 -8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.696 -13.694 -7.348 1.00 0.00 H new ATOM 0 HE ARG A 12 5.036 -13.612 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.118 -13.096 -9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.505 -13.660 -11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.263 -14.336 -10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.333 -14.359 -11.515 1.00 0.00 H new ATOM 193 N CYS A 13 5.967 -14.057 -1.834 1.00 0.00 N ATOM 194 CA CYS A 13 5.959 -15.126 -0.838 1.00 0.00 C ATOM 195 C CYS A 13 4.612 -15.854 -0.815 1.00 0.00 C ATOM 196 O CYS A 13 4.468 -16.925 -1.405 1.00 0.00 O ATOM 197 CB CYS A 13 6.284 -14.561 0.551 1.00 0.00 C ATOM 198 SG CYS A 13 7.732 -13.449 0.591 1.00 0.00 S ATOM 0 H CYS A 13 6.370 -13.180 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 13 6.726 -15.849 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.414 -14.019 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.459 -15.391 1.236 1.00 0.00 H new ATOM 203 N LYS A 14 3.628 -15.270 -0.136 1.00 0.00 N ATOM 204 CA LYS A 14 2.300 -15.867 -0.048 1.00 0.00 C ATOM 205 C LYS A 14 1.283 -15.047 -0.838 1.00 0.00 C ATOM 206 O LYS A 14 0.141 -14.879 -0.410 1.00 0.00 O ATOM 207 CB LYS A 14 1.865 -15.977 1.416 1.00 0.00 C ATOM 208 CG LYS A 14 2.160 -17.332 2.038 1.00 0.00 C ATOM 209 CD LYS A 14 3.654 -17.605 2.100 1.00 0.00 C ATOM 210 CE LYS A 14 4.215 -17.336 3.487 1.00 0.00 C ATOM 211 NZ LYS A 14 4.364 -18.587 4.279 1.00 0.00 N ATOM 0 H LYS A 14 3.726 -14.385 0.361 1.00 0.00 H new ATOM 0 HA LYS A 14 2.346 -16.867 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.369 -15.203 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.795 -15.780 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.740 -17.371 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.670 -18.114 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.847 -18.642 1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.169 -16.980 1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.184 -16.846 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.557 -16.647 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.749 -18.360 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.435 -19.042 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.012 -19.235 3.787 1.00 0.00 H new ATOM 225 N ALA A 15 1.709 -14.530 -1.991 1.00 0.00 N ATOM 226 CA ALA A 15 0.841 -13.717 -2.842 1.00 0.00 C ATOM 227 C ALA A 15 -0.559 -14.315 -2.960 1.00 0.00 C ATOM 228 O ALA A 15 -0.794 -15.214 -3.767 1.00 0.00 O ATOM 229 CB ALA A 15 1.461 -13.553 -4.220 1.00 0.00 C ATOM 0 H ALA A 15 2.652 -14.661 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 15 0.742 -12.738 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.805 -12.946 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.430 -13.062 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.593 -14.533 -4.679 1.00 0.00 H new ATOM 235 N SER A 16 -1.482 -13.807 -2.147 1.00 0.00 N ATOM 236 CA SER A 16 -2.862 -14.290 -2.158 1.00 0.00 C ATOM 237 C SER A 16 -3.799 -13.353 -1.392 1.00 0.00 C ATOM 238 O SER A 16 -4.891 -13.758 -0.991 1.00 0.00 O ATOM 239 CB SER A 16 -2.937 -15.694 -1.553 1.00 0.00 C ATOM 240 OG SER A 16 -1.822 -16.482 -1.933 1.00 0.00 O ATOM 0 H SER A 16 -1.301 -13.063 -1.473 1.00 0.00 H new ATOM 0 HA SER A 16 -3.187 -14.319 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.980 -15.622 -0.466 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.856 -16.182 -1.876 1.00 0.00 H new ATOM 0 HG SER A 16 -1.690 -16.416 -2.902 1.00 0.00 H new ATOM 246 N PHE A 17 -3.382 -12.105 -1.191 1.00 0.00 N ATOM 247 CA PHE A 17 -4.206 -11.136 -0.475 1.00 0.00 C ATOM 248 C PHE A 17 -4.045 -9.742 -1.074 1.00 0.00 C ATOM 249 O PHE A 17 -2.970 -9.152 -1.010 1.00 0.00 O ATOM 250 CB PHE A 17 -3.833 -11.111 1.009 1.00 0.00 C ATOM 251 CG PHE A 17 -4.257 -12.343 1.756 1.00 0.00 C ATOM 252 CD1 PHE A 17 -5.571 -12.503 2.166 1.00 0.00 C ATOM 253 CD2 PHE A 17 -3.341 -13.340 2.049 1.00 0.00 C ATOM 254 CE1 PHE A 17 -5.963 -13.636 2.855 1.00 0.00 C ATOM 255 CE2 PHE A 17 -3.727 -14.475 2.738 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.039 -14.623 3.141 1.00 0.00 C ATOM 0 H PHE A 17 -2.484 -11.743 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.248 -11.440 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.753 -10.993 1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.290 -10.238 1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.297 -11.734 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.313 -13.230 1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.990 -13.749 3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.003 -15.245 2.961 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.343 -15.509 3.679 1.00 0.00 H new ATOM 266 N GLU A 18 -5.120 -9.224 -1.660 1.00 0.00 N ATOM 267 CA GLU A 18 -5.090 -7.903 -2.276 1.00 0.00 C ATOM 268 C GLU A 18 -4.965 -6.805 -1.224 1.00 0.00 C ATOM 269 O GLU A 18 -5.609 -6.855 -0.177 1.00 0.00 O ATOM 270 CB GLU A 18 -6.350 -7.680 -3.115 1.00 0.00 C ATOM 271 CG GLU A 18 -6.447 -8.597 -4.323 1.00 0.00 C ATOM 272 CD GLU A 18 -5.812 -7.999 -5.563 1.00 0.00 C ATOM 273 OE1 GLU A 18 -5.558 -6.776 -5.570 1.00 0.00 O ATOM 274 OE2 GLU A 18 -5.568 -8.753 -6.529 1.00 0.00 O ATOM 0 H GLU A 18 -6.021 -9.698 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.214 -7.856 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.227 -7.829 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.373 -6.644 -3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.963 -9.546 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.496 -8.815 -4.526 1.00 0.00 H new ATOM 281 N ARG A 19 -4.127 -5.812 -1.515 1.00 0.00 N ATOM 282 CA ARG A 19 -3.911 -4.698 -0.598 1.00 0.00 C ATOM 283 C ARG A 19 -3.700 -3.394 -1.365 1.00 0.00 C ATOM 284 O ARG A 19 -3.637 -3.390 -2.595 1.00 0.00 O ATOM 285 CB ARG A 19 -2.704 -4.976 0.301 1.00 0.00 C ATOM 286 CG ARG A 19 -3.046 -5.779 1.545 1.00 0.00 C ATOM 287 CD ARG A 19 -2.229 -5.325 2.744 1.00 0.00 C ATOM 288 NE ARG A 19 -2.672 -5.962 3.982 1.00 0.00 N ATOM 289 CZ ARG A 19 -1.930 -6.035 5.086 1.00 0.00 C ATOM 290 NH1 ARG A 19 -0.709 -5.516 5.108 1.00 0.00 N ATOM 291 NH2 ARG A 19 -2.411 -6.628 6.169 1.00 0.00 N ATOM 0 H ARG A 19 -3.587 -5.757 -2.379 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.801 -4.593 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.950 -5.514 -0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.259 -4.028 0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.108 -5.674 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.863 -6.837 1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.177 -5.555 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.306 -4.242 2.846 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.604 -6.375 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.334 -5.058 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.145 -5.575 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.349 -7.028 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.843 -6.684 7.014 1.00 0.00 H new ATOM 305 N TRP A 20 -3.593 -2.289 -0.631 1.00 0.00 N ATOM 306 CA TRP A 20 -3.391 -0.979 -1.244 1.00 0.00 C ATOM 307 C TRP A 20 -2.041 -0.387 -0.851 1.00 0.00 C ATOM 308 O TRP A 20 -1.529 -0.644 0.238 1.00 0.00 O ATOM 309 CB TRP A 20 -4.518 -0.026 -0.839 1.00 0.00 C ATOM 310 CG TRP A 20 -5.850 -0.415 -1.401 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.751 -1.279 -0.849 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.433 0.044 -2.626 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.857 -1.386 -1.654 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.686 -0.583 -2.749 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.018 0.924 -3.629 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.527 -0.359 -3.834 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -6.856 1.146 -4.707 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.097 0.507 -4.802 1.00 0.00 C ATOM 0 H TRP A 20 -3.643 -2.275 0.388 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.403 -1.110 -2.326 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.585 0.006 0.248 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.270 0.982 -1.173 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.613 -1.802 0.086 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.673 -1.969 -1.467 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.061 1.421 -3.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.485 -0.851 -3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.547 1.824 -5.489 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -8.728 0.701 -5.657 1.00 0.00 H new ATOM 329 N TYR A 21 -1.467 0.400 -1.756 1.00 0.00 N ATOM 330 CA TYR A 21 -0.170 1.031 -1.524 1.00 0.00 C ATOM 331 C TYR A 21 -0.131 2.413 -2.166 1.00 0.00 C ATOM 332 O TYR A 21 -0.596 2.598 -3.291 1.00 0.00 O ATOM 333 CB TYR A 21 0.956 0.159 -2.096 1.00 0.00 C ATOM 334 CG TYR A 21 0.586 -0.501 -3.404 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.420 -1.454 -3.452 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.218 -0.155 -4.591 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.793 -2.037 -4.640 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.856 -0.744 -5.788 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.156 -1.684 -5.808 1.00 0.00 C ATOM 340 OH TYR A 21 -0.548 -2.252 -6.999 1.00 0.00 O ATOM 0 H TYR A 21 -1.882 0.617 -2.662 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.025 1.136 -0.449 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.844 0.773 -2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.218 -0.610 -1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.920 -1.744 -2.539 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.004 0.585 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.585 -2.771 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.362 -0.471 -6.702 1.00 0.00 H new ATOM 0 HH TYR A 21 0.001 -1.895 -7.728 1.00 0.00 H new ATOM 350 N PHE A 22 0.421 3.384 -1.448 1.00 0.00 N ATOM 351 CA PHE A 22 0.509 4.748 -1.957 1.00 0.00 C ATOM 352 C PHE A 22 1.570 4.861 -3.046 1.00 0.00 C ATOM 353 O PHE A 22 2.768 4.773 -2.774 1.00 0.00 O ATOM 354 CB PHE A 22 0.820 5.721 -0.819 1.00 0.00 C ATOM 355 CG PHE A 22 -0.018 6.965 -0.859 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.343 8.037 -1.660 1.00 0.00 C ATOM 357 CD2 PHE A 22 -1.172 7.061 -0.098 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.430 9.181 -1.699 1.00 0.00 C ATOM 359 CE2 PHE A 22 -1.947 8.203 -0.133 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.577 9.264 -0.934 1.00 0.00 C ATOM 0 H PHE A 22 0.813 3.254 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.456 5.007 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.664 5.216 0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.873 5.999 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.239 7.977 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.468 6.233 0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.138 10.010 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.843 8.266 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.183 10.157 -0.963 1.00 0.00 H new ATOM 370 N ASN A 23 1.121 5.062 -4.281 1.00 0.00 N ATOM 371 CA ASN A 23 2.029 5.193 -5.415 1.00 0.00 C ATOM 372 C ASN A 23 2.059 6.630 -5.922 1.00 0.00 C ATOM 373 O ASN A 23 1.400 6.966 -6.906 1.00 0.00 O ATOM 374 CB ASN A 23 1.611 4.250 -6.544 1.00 0.00 C ATOM 375 CG ASN A 23 2.703 4.071 -7.581 1.00 0.00 C ATOM 376 OD1 ASN A 23 3.352 3.027 -7.642 1.00 0.00 O ATOM 377 ND2 ASN A 23 2.911 5.093 -8.403 1.00 0.00 N ATOM 0 H ASN A 23 0.133 5.138 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 23 3.030 4.923 -5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.349 3.279 -6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.715 4.640 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.633 5.031 -9.121 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.349 5.940 -8.316 1.00 0.00 H new ATOM 384 N GLY A 24 2.826 7.476 -5.242 1.00 0.00 N ATOM 385 CA GLY A 24 2.928 8.868 -5.637 1.00 0.00 C ATOM 386 C GLY A 24 1.845 9.728 -5.016 1.00 0.00 C ATOM 387 O GLY A 24 2.051 10.340 -3.969 1.00 0.00 O ATOM 0 H GLY A 24 3.379 7.222 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.905 9.254 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.867 8.940 -6.723 1.00 0.00 H new ATOM 391 N ARG A 25 0.687 9.776 -5.667 1.00 0.00 N ATOM 392 CA ARG A 25 -0.434 10.572 -5.176 1.00 0.00 C ATOM 393 C ARG A 25 -1.737 9.769 -5.170 1.00 0.00 C ATOM 394 O ARG A 25 -2.787 10.286 -4.788 1.00 0.00 O ATOM 395 CB ARG A 25 -0.603 11.830 -6.030 1.00 0.00 C ATOM 396 CG ARG A 25 -0.669 11.546 -7.522 1.00 0.00 C ATOM 397 CD ARG A 25 0.719 11.400 -8.125 1.00 0.00 C ATOM 398 NE ARG A 25 1.101 12.573 -8.909 1.00 0.00 N ATOM 399 CZ ARG A 25 0.587 12.867 -10.100 1.00 0.00 C ATOM 400 NH1 ARG A 25 -0.332 12.079 -10.647 1.00 0.00 N ATOM 401 NH2 ARG A 25 0.991 13.952 -10.747 1.00 0.00 N ATOM 0 H ARG A 25 0.500 9.274 -6.535 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.210 10.858 -4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.514 12.346 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.228 12.507 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.239 10.633 -7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.201 12.354 -8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.446 11.244 -7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.747 10.515 -8.760 1.00 0.00 H new ATOM 0 HE ARG A 25 1.803 13.203 -8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.647 11.244 -10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.723 12.309 -11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.696 14.561 -10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.597 14.178 -11.660 1.00 0.00 H new ATOM 415 N THR A 26 -1.671 8.508 -5.593 1.00 0.00 N ATOM 416 CA THR A 26 -2.855 7.655 -5.630 1.00 0.00 C ATOM 417 C THR A 26 -2.571 6.299 -4.992 1.00 0.00 C ATOM 418 O THR A 26 -1.415 5.916 -4.813 1.00 0.00 O ATOM 419 CB THR A 26 -3.324 7.463 -7.073 1.00 0.00 C ATOM 420 OG1 THR A 26 -3.485 8.714 -7.719 1.00 0.00 O ATOM 421 CG2 THR A 26 -4.637 6.718 -7.182 1.00 0.00 C ATOM 0 H THR A 26 -0.814 8.057 -5.913 1.00 0.00 H new ATOM 0 HA THR A 26 -3.643 8.146 -5.059 1.00 0.00 H new ATOM 0 HB THR A 26 -2.546 6.868 -7.552 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.784 8.570 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.912 6.616 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.532 5.729 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.414 7.272 -6.656 1.00 0.00 H new ATOM 429 N CYS A 27 -3.633 5.576 -4.649 1.00 0.00 N ATOM 430 CA CYS A 27 -3.496 4.263 -4.031 1.00 0.00 C ATOM 431 C CYS A 27 -3.632 3.154 -5.074 1.00 0.00 C ATOM 432 O CYS A 27 -4.668 3.019 -5.725 1.00 0.00 O ATOM 433 CB CYS A 27 -4.537 4.084 -2.924 1.00 0.00 C ATOM 434 SG CYS A 27 -4.369 5.274 -1.551 1.00 0.00 S ATOM 0 H CYS A 27 -4.597 5.878 -4.789 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.501 4.196 -3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.533 4.181 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.460 3.072 -2.526 1.00 0.00 H new ATOM 439 N ALA A 28 -2.570 2.369 -5.225 1.00 0.00 N ATOM 440 CA ALA A 28 -2.543 1.271 -6.186 1.00 0.00 C ATOM 441 C ALA A 28 -3.047 -0.029 -5.556 1.00 0.00 C ATOM 442 O ALA A 28 -3.382 -0.060 -4.371 1.00 0.00 O ATOM 443 CB ALA A 28 -1.147 1.105 -6.756 1.00 0.00 C ATOM 0 H ALA A 28 -1.709 2.474 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.219 1.515 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.141 0.283 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.847 2.025 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.448 0.888 -5.948 1.00 0.00 H new ATOM 449 N LYS A 29 -3.128 -1.094 -6.356 1.00 0.00 N ATOM 450 CA LYS A 29 -3.627 -2.379 -5.865 1.00 0.00 C ATOM 451 C LYS A 29 -2.866 -3.555 -6.477 1.00 0.00 C ATOM 452 O LYS A 29 -2.539 -3.551 -7.664 1.00 0.00 O ATOM 453 CB LYS A 29 -5.118 -2.512 -6.172 1.00 0.00 C ATOM 454 CG LYS A 29 -5.778 -3.699 -5.487 1.00 0.00 C ATOM 455 CD LYS A 29 -7.200 -3.372 -5.056 1.00 0.00 C ATOM 456 CE LYS A 29 -8.162 -4.496 -5.409 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.116 -4.779 -4.302 1.00 0.00 N ATOM 0 H LYS A 29 -2.857 -1.093 -7.339 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.469 -2.404 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.626 -1.598 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.251 -2.605 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.789 -4.552 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.191 -3.991 -4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.224 -3.196 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.524 -2.449 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.718 -4.229 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.596 -5.399 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.754 -5.551 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.587 -5.059 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.674 -3.925 -4.098 1.00 0.00 H new ATOM 471 N PHE A 30 -2.592 -4.560 -5.649 1.00 0.00 N ATOM 472 CA PHE A 30 -1.874 -5.753 -6.086 1.00 0.00 C ATOM 473 C PHE A 30 -2.107 -6.909 -5.118 1.00 0.00 C ATOM 474 O PHE A 30 -2.763 -6.743 -4.090 1.00 0.00 O ATOM 475 CB PHE A 30 -0.371 -5.468 -6.219 1.00 0.00 C ATOM 476 CG PHE A 30 0.272 -4.837 -5.007 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.366 -4.817 -3.773 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.532 -4.266 -5.109 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.242 -4.242 -2.672 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.140 -3.688 -4.012 1.00 0.00 C ATOM 481 CZ PHE A 30 1.495 -3.677 -2.792 1.00 0.00 C ATOM 0 H PHE A 30 -2.859 -4.571 -4.665 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.260 -6.037 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.142 -6.404 -6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.216 -4.812 -7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.348 -5.255 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.045 -4.274 -6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.264 -4.235 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.120 -3.245 -4.109 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.970 -3.227 -1.933 1.00 0.00 H new ATOM 491 N ILE A 31 -1.569 -8.080 -5.442 1.00 0.00 N ATOM 492 CA ILE A 31 -1.725 -9.244 -4.580 1.00 0.00 C ATOM 493 C ILE A 31 -0.591 -9.294 -3.570 1.00 0.00 C ATOM 494 O ILE A 31 0.524 -9.701 -3.893 1.00 0.00 O ATOM 495 CB ILE A 31 -1.759 -10.560 -5.386 1.00 0.00 C ATOM 496 CG1 ILE A 31 -3.021 -10.618 -6.249 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.697 -11.767 -4.456 1.00 0.00 C ATOM 498 CD1 ILE A 31 -2.754 -10.382 -7.716 1.00 0.00 C ATOM 0 H ILE A 31 -1.025 -8.247 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.680 -9.145 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.885 -10.587 -6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.493 -11.593 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.731 -9.872 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.722 -12.683 -5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.774 -11.734 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.551 -11.748 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.691 -10.437 -8.270 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.310 -9.396 -7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.068 -11.143 -8.088 1.00 0.00 H new ATOM 510 N TYR A 32 -0.884 -8.870 -2.349 1.00 0.00 N ATOM 511 CA TYR A 32 0.109 -8.845 -1.289 1.00 0.00 C ATOM 512 C TYR A 32 0.141 -10.169 -0.541 1.00 0.00 C ATOM 513 O TYR A 32 -0.803 -10.525 0.166 1.00 0.00 O ATOM 514 CB TYR A 32 -0.192 -7.701 -0.316 1.00 0.00 C ATOM 515 CG TYR A 32 0.725 -7.656 0.889 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.106 -7.686 0.738 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.207 -7.583 2.176 1.00 0.00 C ATOM 518 CE1 TYR A 32 2.945 -7.644 1.836 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.039 -7.539 3.278 1.00 0.00 C ATOM 520 CZ TYR A 32 2.406 -7.570 3.103 1.00 0.00 C ATOM 521 OH TYR A 32 3.238 -7.527 4.198 1.00 0.00 O ATOM 0 H TYR A 32 -1.807 -8.537 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 32 1.088 -8.685 -1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.118 -6.754 -0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.222 -7.793 0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.531 -7.743 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.863 -7.560 2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.016 -7.669 1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.620 -7.481 4.272 1.00 0.00 H new ATOM 0 HH TYR A 32 4.166 -7.653 3.909 1.00 0.00 H new ATOM 531 N GLY A 33 1.239 -10.894 -0.710 1.00 0.00 N ATOM 532 CA GLY A 33 1.394 -12.172 -0.048 1.00 0.00 C ATOM 533 C GLY A 33 1.808 -12.022 1.402 1.00 0.00 C ATOM 534 O GLY A 33 1.517 -12.884 2.232 1.00 0.00 O ATOM 0 H GLY A 33 2.027 -10.618 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.454 -12.722 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.140 -12.765 -0.577 1.00 0.00 H new ATOM 538 N GLY A 34 2.486 -10.919 1.710 1.00 0.00 N ATOM 539 CA GLY A 34 2.926 -10.677 3.070 1.00 0.00 C ATOM 540 C GLY A 34 4.332 -10.106 3.152 1.00 0.00 C ATOM 541 O GLY A 34 4.785 -9.726 4.232 1.00 0.00 O ATOM 0 H GLY A 34 2.737 -10.191 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.232 -9.988 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.887 -11.612 3.629 1.00 0.00 H new ATOM 545 N CYS A 35 5.029 -10.045 2.018 1.00 0.00 N ATOM 546 CA CYS A 35 6.390 -9.515 1.993 1.00 0.00 C ATOM 547 C CYS A 35 6.445 -8.177 1.258 1.00 0.00 C ATOM 548 O CYS A 35 6.588 -8.133 0.035 1.00 0.00 O ATOM 549 CB CYS A 35 7.345 -10.522 1.342 1.00 0.00 C ATOM 550 SG CYS A 35 7.321 -12.173 2.118 1.00 0.00 S ATOM 0 H CYS A 35 4.677 -10.353 1.112 1.00 0.00 H new ATOM 0 HA CYS A 35 6.706 -9.348 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.087 -10.623 0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.360 -10.126 1.385 1.00 0.00 H new ATOM 555 N GLY A 36 6.332 -7.086 2.011 1.00 0.00 N ATOM 556 CA GLY A 36 6.373 -5.765 1.411 1.00 0.00 C ATOM 557 C GLY A 36 7.707 -5.075 1.611 1.00 0.00 C ATOM 558 O GLY A 36 8.357 -4.678 0.644 1.00 0.00 O ATOM 0 H GLY A 36 6.213 -7.094 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.168 -5.848 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.582 -5.150 1.841 1.00 0.00 H new ATOM 562 N GLY A 37 8.117 -4.937 2.867 1.00 0.00 N ATOM 563 CA GLY A 37 9.384 -4.299 3.168 1.00 0.00 C ATOM 564 C GLY A 37 9.316 -2.785 3.096 1.00 0.00 C ATOM 565 O GLY A 37 10.334 -2.124 2.890 1.00 0.00 O ATOM 0 H GLY A 37 7.594 -5.256 3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.706 -4.596 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.140 -4.657 2.469 1.00 0.00 H new ATOM 569 N ASN A 38 8.120 -2.232 3.266 1.00 0.00 N ATOM 570 CA ASN A 38 7.939 -0.788 3.219 1.00 0.00 C ATOM 571 C ASN A 38 6.881 -0.340 4.221 1.00 0.00 C ATOM 572 O ASN A 38 6.277 -1.162 4.910 1.00 0.00 O ATOM 573 CB ASN A 38 7.542 -0.349 1.809 1.00 0.00 C ATOM 574 CG ASN A 38 8.116 1.005 1.446 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.669 2.036 1.948 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.114 1.007 0.569 1.00 0.00 N ATOM 0 H ASN A 38 7.265 -2.761 3.437 1.00 0.00 H new ATOM 0 HA ASN A 38 8.886 -0.319 3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.886 -1.092 1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.455 -0.312 1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.542 1.888 0.286 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.452 0.127 0.179 1.00 0.00 H new ATOM 583 N GLY A 39 6.664 0.968 4.296 1.00 0.00 N ATOM 584 CA GLY A 39 5.679 1.504 5.217 1.00 0.00 C ATOM 585 C GLY A 39 4.512 2.169 4.508 1.00 0.00 C ATOM 586 O GLY A 39 3.598 2.679 5.155 1.00 0.00 O ATOM 0 H GLY A 39 7.152 1.667 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.304 0.699 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.159 2.228 5.875 1.00 0.00 H new ATOM 590 N ASN A 40 4.542 2.168 3.177 1.00 0.00 N ATOM 591 CA ASN A 40 3.474 2.782 2.393 1.00 0.00 C ATOM 592 C ASN A 40 2.370 1.776 2.060 1.00 0.00 C ATOM 593 O ASN A 40 1.380 2.123 1.418 1.00 0.00 O ATOM 594 CB ASN A 40 4.045 3.398 1.109 1.00 0.00 C ATOM 595 CG ASN A 40 4.286 2.377 0.012 1.00 0.00 C ATOM 596 OD1 ASN A 40 5.230 1.591 0.076 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.433 2.392 -1.006 1.00 0.00 N ATOM 0 H ASN A 40 5.290 1.751 2.622 1.00 0.00 H new ATOM 0 HA ASN A 40 3.028 3.572 2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.357 4.160 0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.984 3.901 1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.547 1.734 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.664 3.062 -1.017 1.00 0.00 H new ATOM 604 N LYS A 41 2.541 0.530 2.500 1.00 0.00 N ATOM 605 CA LYS A 41 1.552 -0.511 2.245 1.00 0.00 C ATOM 606 C LYS A 41 0.317 -0.313 3.120 1.00 0.00 C ATOM 607 O LYS A 41 0.378 0.352 4.154 1.00 0.00 O ATOM 608 CB LYS A 41 2.156 -1.893 2.499 1.00 0.00 C ATOM 609 CG LYS A 41 2.750 -2.050 3.890 1.00 0.00 C ATOM 610 CD LYS A 41 2.996 -3.512 4.227 1.00 0.00 C ATOM 611 CE LYS A 41 4.170 -3.674 5.178 1.00 0.00 C ATOM 612 NZ LYS A 41 3.779 -3.416 6.592 1.00 0.00 N ATOM 0 H LYS A 41 3.353 0.220 3.033 1.00 0.00 H new ATOM 0 HA LYS A 41 1.250 -0.442 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.385 -2.650 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.932 -2.083 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.688 -1.498 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.075 -1.614 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.100 -3.938 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.189 -4.070 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.571 -4.684 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.967 -2.988 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.608 -3.537 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.420 -2.444 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.036 -4.087 6.875 1.00 0.00 H new ATOM 626 N PHE A 42 -0.802 -0.894 2.698 1.00 0.00 N ATOM 627 CA PHE A 42 -2.052 -0.782 3.443 1.00 0.00 C ATOM 628 C PHE A 42 -3.034 -1.874 3.029 1.00 0.00 C ATOM 629 O PHE A 42 -3.004 -2.349 1.894 1.00 0.00 O ATOM 630 CB PHE A 42 -2.678 0.596 3.224 1.00 0.00 C ATOM 631 CG PHE A 42 -2.018 1.685 4.021 1.00 0.00 C ATOM 632 CD1 PHE A 42 -2.034 1.653 5.406 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.381 2.738 3.386 1.00 0.00 C ATOM 634 CE1 PHE A 42 -1.426 2.652 6.142 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.772 3.740 4.117 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.794 3.696 5.497 1.00 0.00 C ATOM 0 H PHE A 42 -0.869 -1.447 1.844 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.827 -0.906 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.624 0.847 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.735 0.553 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.527 0.838 5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.360 2.776 2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.445 2.616 7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.279 4.556 3.610 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.318 4.477 6.071 1.00 0.00 H new ATOM 646 N PRO A 43 -3.918 -2.294 3.951 1.00 0.00 N ATOM 647 CA PRO A 43 -4.907 -3.342 3.678 1.00 0.00 C ATOM 648 C PRO A 43 -6.055 -2.855 2.798 1.00 0.00 C ATOM 649 O PRO A 43 -6.437 -3.524 1.837 1.00 0.00 O ATOM 650 CB PRO A 43 -5.419 -3.710 5.071 1.00 0.00 C ATOM 651 CG PRO A 43 -5.241 -2.471 5.880 1.00 0.00 C ATOM 652 CD PRO A 43 -4.018 -1.785 5.333 1.00 0.00 C ATOM 0 HA PRO A 43 -4.472 -4.178 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.465 -4.016 5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.856 -4.542 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.116 -1.826 5.803 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.114 -2.710 6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.125 -0.700 5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.129 -2.029 5.914 1.00 0.00 H new ATOM 660 N THR A 44 -6.606 -1.692 3.133 1.00 0.00 N ATOM 661 CA THR A 44 -7.715 -1.127 2.370 1.00 0.00 C ATOM 662 C THR A 44 -7.356 0.248 1.816 1.00 0.00 C ATOM 663 O THR A 44 -6.333 0.830 2.181 1.00 0.00 O ATOM 664 CB THR A 44 -8.963 -1.025 3.248 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.638 -0.505 4.525 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.659 -2.352 3.456 1.00 0.00 C ATOM 0 H THR A 44 -6.304 -1.124 3.925 1.00 0.00 H new ATOM 0 HA THR A 44 -7.920 -1.792 1.531 1.00 0.00 H new ATOM 0 HB THR A 44 -9.639 -0.359 2.711 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.450 -0.446 5.071 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.536 -2.208 4.088 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.969 -2.756 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.975 -3.050 3.939 1.00 0.00 H new ATOM 674 N GLN A 45 -8.206 0.763 0.933 1.00 0.00 N ATOM 675 CA GLN A 45 -7.983 2.071 0.326 1.00 0.00 C ATOM 676 C GLN A 45 -8.292 3.189 1.315 1.00 0.00 C ATOM 677 O GLN A 45 -7.705 4.269 1.251 1.00 0.00 O ATOM 678 CB GLN A 45 -8.847 2.229 -0.926 1.00 0.00 C ATOM 679 CG GLN A 45 -10.322 1.954 -0.686 1.00 0.00 C ATOM 680 CD GLN A 45 -11.203 2.478 -1.802 1.00 0.00 C ATOM 681 OE1 GLN A 45 -12.276 3.030 -1.554 1.00 0.00 O ATOM 682 NE2 GLN A 45 -10.755 2.309 -3.040 1.00 0.00 N ATOM 0 H GLN A 45 -9.057 0.294 0.622 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.932 2.139 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.733 3.243 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.481 1.552 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.475 0.880 -0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.624 2.412 0.256 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.860 1.846 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.306 2.642 -3.831 1.00 0.00 H new ATOM 691 N GLU A 46 -9.215 2.925 2.232 1.00 0.00 N ATOM 692 CA GLU A 46 -9.599 3.910 3.235 1.00 0.00 C ATOM 693 C GLU A 46 -8.440 4.207 4.183 1.00 0.00 C ATOM 694 O GLU A 46 -8.397 5.264 4.811 1.00 0.00 O ATOM 695 CB GLU A 46 -10.808 3.414 4.030 1.00 0.00 C ATOM 696 CG GLU A 46 -11.784 4.517 4.405 1.00 0.00 C ATOM 697 CD GLU A 46 -12.462 4.266 5.738 1.00 0.00 C ATOM 698 OE1 GLU A 46 -11.838 3.628 6.611 1.00 0.00 O ATOM 699 OE2 GLU A 46 -13.619 4.706 5.907 1.00 0.00 O ATOM 0 H GLU A 46 -9.711 2.037 2.302 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.865 4.832 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.333 2.660 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.459 2.925 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.254 5.469 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.542 4.607 3.627 1.00 0.00 H new ATOM 706 N ALA A 47 -7.505 3.266 4.283 1.00 0.00 N ATOM 707 CA ALA A 47 -6.350 3.427 5.158 1.00 0.00 C ATOM 708 C ALA A 47 -5.298 4.334 4.527 1.00 0.00 C ATOM 709 O ALA A 47 -4.849 5.300 5.144 1.00 0.00 O ATOM 710 CB ALA A 47 -5.747 2.072 5.491 1.00 0.00 C ATOM 0 H ALA A 47 -7.525 2.385 3.769 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.691 3.899 6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.886 2.208 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.492 1.456 5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.431 1.579 4.572 1.00 0.00 H new ATOM 716 N CYS A 48 -4.906 4.019 3.296 1.00 0.00 N ATOM 717 CA CYS A 48 -3.903 4.812 2.590 1.00 0.00 C ATOM 718 C CYS A 48 -4.344 6.267 2.464 1.00 0.00 C ATOM 719 O CYS A 48 -3.529 7.183 2.566 1.00 0.00 O ATOM 720 CB CYS A 48 -3.629 4.221 1.203 1.00 0.00 C ATOM 721 SG CYS A 48 -5.058 4.262 0.071 1.00 0.00 S ATOM 0 H CYS A 48 -5.265 3.224 2.768 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.982 4.783 3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.803 4.766 0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.303 3.187 1.320 1.00 0.00 H new ATOM 726 N MET A 49 -5.637 6.473 2.243 1.00 0.00 N ATOM 727 CA MET A 49 -6.181 7.819 2.103 1.00 0.00 C ATOM 728 C MET A 49 -6.240 8.532 3.452 1.00 0.00 C ATOM 729 O MET A 49 -6.144 9.757 3.522 1.00 0.00 O ATOM 730 CB MET A 49 -7.578 7.763 1.482 1.00 0.00 C ATOM 731 CG MET A 49 -7.566 7.610 -0.030 1.00 0.00 C ATOM 732 SD MET A 49 -9.022 8.328 -0.814 1.00 0.00 S ATOM 733 CE MET A 49 -8.340 9.849 -1.469 1.00 0.00 C ATOM 0 H MET A 49 -6.327 5.727 2.157 1.00 0.00 H new ATOM 0 HA MET A 49 -5.518 8.383 1.446 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.128 6.929 1.919 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.119 8.673 1.742 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.671 8.085 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.507 6.552 -0.283 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.122 10.406 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.944 10.452 -0.652 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.538 9.616 -2.170 1.00 0.00 H new ATOM 743 N LYS A 50 -6.405 7.760 4.521 1.00 0.00 N ATOM 744 CA LYS A 50 -6.483 8.324 5.866 1.00 0.00 C ATOM 745 C LYS A 50 -5.103 8.418 6.516 1.00 0.00 C ATOM 746 O LYS A 50 -4.895 9.208 7.436 1.00 0.00 O ATOM 747 CB LYS A 50 -7.410 7.475 6.739 1.00 0.00 C ATOM 748 CG LYS A 50 -7.594 8.024 8.146 1.00 0.00 C ATOM 749 CD LYS A 50 -7.500 6.926 9.191 1.00 0.00 C ATOM 750 CE LYS A 50 -8.774 6.099 9.248 1.00 0.00 C ATOM 751 NZ LYS A 50 -9.199 5.830 10.650 1.00 0.00 N ATOM 0 H LYS A 50 -6.487 6.744 4.484 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.885 9.333 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.384 7.403 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.010 6.463 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.835 8.781 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.563 8.517 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.654 6.277 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.308 7.368 10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.571 6.623 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.617 5.154 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.071 5.264 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.449 5.307 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.374 6.731 11.139 1.00 0.00 H new ATOM 765 N ARG A 51 -4.164 7.606 6.043 1.00 0.00 N ATOM 766 CA ARG A 51 -2.817 7.605 6.597 1.00 0.00 C ATOM 767 C ARG A 51 -1.869 8.490 5.786 1.00 0.00 C ATOM 768 O ARG A 51 -0.710 8.668 6.159 1.00 0.00 O ATOM 769 CB ARG A 51 -2.274 6.176 6.658 1.00 0.00 C ATOM 770 CG ARG A 51 -1.568 5.849 7.962 1.00 0.00 C ATOM 771 CD ARG A 51 -0.442 6.829 8.242 1.00 0.00 C ATOM 772 NE ARG A 51 0.614 6.744 7.236 1.00 0.00 N ATOM 773 CZ ARG A 51 1.704 5.987 7.361 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.884 5.236 8.441 1.00 0.00 N ATOM 775 NH2 ARG A 51 2.614 5.977 6.397 1.00 0.00 N ATOM 0 H ARG A 51 -4.310 6.944 5.281 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.875 8.016 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.098 5.477 6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.580 6.024 5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.286 5.873 8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.168 4.836 7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.840 7.843 8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.022 6.628 9.228 1.00 0.00 H new ATOM 0 HE ARG A 51 0.511 7.298 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.185 5.235 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.721 4.660 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.479 6.548 5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.449 5.399 6.490 1.00 0.00 H new ATOM 789 N CYS A 52 -2.356 9.040 4.677 1.00 0.00 N ATOM 790 CA CYS A 52 -1.526 9.895 3.833 1.00 0.00 C ATOM 791 C CYS A 52 -2.287 11.131 3.355 1.00 0.00 C ATOM 792 O CYS A 52 -1.724 12.223 3.285 1.00 0.00 O ATOM 793 CB CYS A 52 -1.007 9.105 2.633 1.00 0.00 C ATOM 794 SG CYS A 52 0.467 8.097 2.988 1.00 0.00 S ATOM 0 H CYS A 52 -3.311 8.911 4.344 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.684 10.235 4.436 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.801 8.453 2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.773 9.801 1.827 1.00 0.00 H new ATOM 799 N ALA A 53 -3.562 10.955 3.019 1.00 0.00 N ATOM 800 CA ALA A 53 -4.380 12.063 2.541 1.00 0.00 C ATOM 801 C ALA A 53 -5.013 12.823 3.701 1.00 0.00 C ATOM 802 O ALA A 53 -5.121 14.049 3.666 1.00 0.00 O ATOM 803 CB ALA A 53 -5.452 11.556 1.589 1.00 0.00 C ATOM 0 H ALA A 53 -4.048 10.060 3.069 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.731 12.754 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.055 12.394 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.980 11.069 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.090 10.841 2.108 1.00 0.00 H new ATOM 809 N LYS A 54 -5.434 12.090 4.726 1.00 0.00 N ATOM 810 CA LYS A 54 -6.058 12.704 5.891 1.00 0.00 C ATOM 811 C LYS A 54 -5.010 13.328 6.808 1.00 0.00 C ATOM 812 O LYS A 54 -5.282 14.310 7.498 1.00 0.00 O ATOM 813 CB LYS A 54 -6.880 11.672 6.664 1.00 0.00 C ATOM 814 CG LYS A 54 -7.664 12.266 7.824 1.00 0.00 C ATOM 815 CD LYS A 54 -6.932 12.085 9.144 1.00 0.00 C ATOM 816 CE LYS A 54 -6.945 13.362 9.971 1.00 0.00 C ATOM 817 NZ LYS A 54 -7.168 13.087 11.417 1.00 0.00 N ATOM 0 H LYS A 54 -5.355 11.074 4.774 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.721 13.494 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.574 11.185 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.212 10.899 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.834 13.328 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.644 11.792 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.397 11.279 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.902 11.786 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.998 13.886 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.728 14.025 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.170 13.983 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.083 12.610 11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.407 12.476 11.776 1.00 0.00 H new ATOM 831 N ALA A 55 -3.812 12.754 6.810 1.00 0.00 N ATOM 832 CA ALA A 55 -2.726 13.256 7.643 1.00 0.00 C ATOM 833 C ALA A 55 -1.772 14.128 6.833 1.00 0.00 C ATOM 834 O ALA A 55 -1.910 14.161 5.592 1.00 0.00 O ATOM 835 CB ALA A 55 -1.972 12.098 8.281 1.00 0.00 C ATOM 836 OXT ALA A 55 -0.895 14.771 7.447 1.00 0.00 O ATOM 0 H ALA A 55 -3.569 11.941 6.244 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.160 13.871 8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.164 12.487 8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.655 11.516 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.556 11.460 7.501 1.00 0.00 H new TER 842 ALA A 55