USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 418 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 SER N :NH3+ -149:sc= 0.114 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0626 USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0212) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.23 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.2 K(o=-1.2,f=-11!) USER MOD Single : A 30 TYR OH : rot -54:sc= 0.063 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 73:sc= 1.98 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00679 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.489 1.184 -2.334 1.00 1.52 N ATOM 2 CA SER A 1 2.412 0.601 -3.300 1.00 51.14 C ATOM 3 C SER A 1 2.784 -0.825 -2.905 1.00 14.34 C ATOM 4 O SER A 1 2.760 -1.180 -1.727 1.00 11.45 O ATOM 5 CB SER A 1 3.675 1.457 -3.412 1.00 40.13 C ATOM 6 OG SER A 1 4.142 1.847 -2.132 1.00 55.54 O ATOM 0 H1 SER A 1 0.862 1.859 -2.817 1.00 1.52 H new ATOM 0 H2 SER A 1 0.918 0.430 -1.901 1.00 1.52 H new ATOM 0 H3 SER A 1 2.027 1.679 -1.595 1.00 1.52 H new ATOM 0 HA SER A 1 1.914 0.573 -4.269 1.00 51.14 H new ATOM 0 HB2 SER A 1 4.453 0.897 -3.931 1.00 40.13 H new ATOM 0 HB3 SER A 1 3.466 2.343 -4.012 1.00 40.13 H new ATOM 0 HG SER A 1 4.951 2.392 -2.231 1.00 55.54 H new ATOM 12 N ALA A 2 3.127 -1.638 -3.898 1.00 53.44 N ATOM 13 CA ALA A 2 3.505 -3.024 -3.655 1.00 44.03 C ATOM 14 C ALA A 2 5.013 -3.211 -3.782 1.00 25.42 C ATOM 15 O ALA A 2 5.721 -2.329 -4.268 1.00 11.43 O ATOM 16 CB ALA A 2 2.774 -3.947 -4.618 1.00 62.53 C ATOM 0 H ALA A 2 3.151 -1.360 -4.879 1.00 53.44 H new ATOM 0 HA ALA A 2 3.218 -3.280 -2.635 1.00 44.03 H new ATOM 0 HB1 ALA A 2 3.066 -4.979 -4.425 1.00 62.53 H new ATOM 0 HB2 ALA A 2 1.698 -3.842 -4.477 1.00 62.53 H new ATOM 0 HB3 ALA A 2 3.033 -3.682 -5.643 1.00 62.53 H new ATOM 22 N LYS A 3 5.500 -4.366 -3.341 1.00 25.31 N ATOM 23 CA LYS A 3 6.925 -4.671 -3.405 1.00 11.12 C ATOM 24 C LYS A 3 7.213 -5.700 -4.493 1.00 60.11 C ATOM 25 O LYS A 3 6.317 -6.422 -4.930 1.00 60.52 O ATOM 26 CB LYS A 3 7.417 -5.192 -2.053 1.00 3.55 C ATOM 27 CG LYS A 3 8.917 -5.049 -1.855 1.00 74.23 C ATOM 28 CD LYS A 3 9.336 -5.457 -0.453 1.00 32.50 C ATOM 29 CE LYS A 3 9.146 -4.320 0.539 1.00 75.20 C ATOM 30 NZ LYS A 3 10.212 -3.289 0.412 1.00 42.03 N ATOM 0 H LYS A 3 4.928 -5.107 -2.935 1.00 25.31 H new ATOM 0 HA LYS A 3 7.457 -3.752 -3.649 1.00 11.12 H new ATOM 0 HB2 LYS A 3 6.901 -4.655 -1.257 1.00 3.55 H new ATOM 0 HB3 LYS A 3 7.145 -6.243 -1.957 1.00 3.55 H new ATOM 0 HG2 LYS A 3 9.442 -5.664 -2.586 1.00 74.23 H new ATOM 0 HG3 LYS A 3 9.212 -4.016 -2.038 1.00 74.23 H new ATOM 0 HD2 LYS A 3 8.752 -6.320 -0.134 1.00 32.50 H new ATOM 0 HD3 LYS A 3 10.382 -5.764 -0.460 1.00 32.50 H new ATOM 0 HE2 LYS A 3 8.172 -3.857 0.379 1.00 75.20 H new ATOM 0 HE3 LYS A 3 9.146 -4.719 1.553 1.00 75.20 H new ATOM 0 HZ1 LYS A 3 10.137 -2.613 1.199 1.00 42.03 H new ATOM 0 HZ2 LYS A 3 11.144 -3.749 0.438 1.00 42.03 H new ATOM 0 HZ3 LYS A 3 10.100 -2.784 -0.490 1.00 42.03 H new ATOM 44 N ASP A 4 8.468 -5.762 -4.925 1.00 33.11 N ATOM 45 CA ASP A 4 8.874 -6.705 -5.961 1.00 22.05 C ATOM 46 C ASP A 4 8.594 -8.141 -5.528 1.00 54.15 C ATOM 47 O ASP A 4 9.011 -8.569 -4.453 1.00 71.24 O ATOM 48 CB ASP A 4 10.361 -6.536 -6.279 1.00 34.31 C ATOM 49 CG ASP A 4 10.713 -7.023 -7.671 1.00 4.23 C ATOM 50 OD1 ASP A 4 10.184 -6.456 -8.649 1.00 13.21 O ATOM 51 OD2 ASP A 4 11.519 -7.971 -7.782 1.00 33.12 O ATOM 0 H ASP A 4 9.221 -5.171 -4.574 1.00 33.11 H new ATOM 0 HA ASP A 4 8.292 -6.495 -6.858 1.00 22.05 H new ATOM 0 HB2 ASP A 4 10.633 -5.485 -6.185 1.00 34.31 H new ATOM 0 HB3 ASP A 4 10.951 -7.084 -5.545 1.00 34.31 H new ATOM 56 N GLY A 5 7.882 -8.880 -6.374 1.00 62.05 N ATOM 57 CA GLY A 5 7.557 -10.259 -6.062 1.00 32.32 C ATOM 58 C GLY A 5 6.081 -10.457 -5.779 1.00 11.05 C ATOM 59 O GLY A 5 5.591 -11.586 -5.763 1.00 74.24 O ATOM 0 H GLY A 5 7.525 -8.548 -7.270 1.00 62.05 H new ATOM 0 HA2 GLY A 5 7.853 -10.896 -6.895 1.00 32.32 H new ATOM 0 HA3 GLY A 5 8.136 -10.578 -5.195 1.00 32.32 H new ATOM 63 N ASP A 6 5.371 -9.357 -5.552 1.00 23.11 N ATOM 64 CA ASP A 6 3.942 -9.414 -5.267 1.00 22.41 C ATOM 65 C ASP A 6 3.161 -9.872 -6.495 1.00 22.13 C ATOM 66 O ASP A 6 3.392 -9.392 -7.605 1.00 31.33 O ATOM 67 CB ASP A 6 3.437 -8.046 -4.807 1.00 20.15 C ATOM 68 CG ASP A 6 2.453 -8.149 -3.658 1.00 2.24 C ATOM 69 OD1 ASP A 6 1.946 -9.262 -3.409 1.00 72.23 O ATOM 70 OD2 ASP A 6 2.190 -7.115 -3.007 1.00 61.33 O ATOM 0 H ASP A 6 5.762 -8.415 -5.560 1.00 23.11 H new ATOM 0 HA ASP A 6 3.785 -10.138 -4.468 1.00 22.41 H new ATOM 0 HB2 ASP A 6 4.285 -7.433 -4.502 1.00 20.15 H new ATOM 0 HB3 ASP A 6 2.961 -7.537 -5.645 1.00 20.15 H new ATOM 75 N VAL A 7 2.236 -10.804 -6.288 1.00 23.21 N ATOM 76 CA VAL A 7 1.421 -11.327 -7.378 1.00 30.34 C ATOM 77 C VAL A 7 -0.039 -11.458 -6.958 1.00 22.31 C ATOM 78 O VAL A 7 -0.378 -11.270 -5.790 1.00 41.02 O ATOM 79 CB VAL A 7 1.932 -12.700 -7.852 1.00 65.42 C ATOM 80 CG1 VAL A 7 3.315 -12.570 -8.473 1.00 71.02 C ATOM 81 CG2 VAL A 7 1.949 -13.690 -6.697 1.00 60.53 C ATOM 0 H VAL A 7 2.032 -11.212 -5.376 1.00 23.21 H new ATOM 0 HA VAL A 7 1.498 -10.616 -8.200 1.00 30.34 H new ATOM 0 HB VAL A 7 1.251 -13.078 -8.615 1.00 65.42 H new ATOM 0 HG11 VAL A 7 3.660 -13.550 -8.802 1.00 71.02 H new ATOM 0 HG12 VAL A 7 3.268 -11.896 -9.328 1.00 71.02 H new ATOM 0 HG13 VAL A 7 4.010 -12.170 -7.734 1.00 71.02 H new ATOM 0 HG21 VAL A 7 2.313 -14.655 -7.050 1.00 60.53 H new ATOM 0 HG22 VAL A 7 2.607 -13.320 -5.910 1.00 60.53 H new ATOM 0 HG23 VAL A 7 0.940 -13.805 -6.302 1.00 60.53 H new ATOM 91 N GLU A 8 -0.898 -11.783 -7.919 1.00 13.22 N ATOM 92 CA GLU A 8 -2.323 -11.939 -7.648 1.00 4.41 C ATOM 93 C GLU A 8 -2.788 -13.354 -7.978 1.00 24.12 C ATOM 94 O GLU A 8 -2.431 -13.910 -9.016 1.00 32.13 O ATOM 95 CB GLU A 8 -3.132 -10.923 -8.456 1.00 53.44 C ATOM 96 CG GLU A 8 -4.482 -10.593 -7.842 1.00 12.31 C ATOM 97 CD GLU A 8 -5.552 -11.604 -8.207 1.00 0.53 C ATOM 98 OE1 GLU A 8 -5.700 -11.904 -9.410 1.00 3.04 O ATOM 99 OE2 GLU A 8 -6.241 -12.094 -7.288 1.00 74.42 O ATOM 0 H GLU A 8 -0.633 -11.943 -8.891 1.00 13.22 H new ATOM 0 HA GLU A 8 -2.486 -11.760 -6.585 1.00 4.41 H new ATOM 0 HB2 GLU A 8 -2.553 -10.005 -8.554 1.00 53.44 H new ATOM 0 HB3 GLU A 8 -3.285 -11.312 -9.463 1.00 53.44 H new ATOM 0 HG2 GLU A 8 -4.383 -10.550 -6.757 1.00 12.31 H new ATOM 0 HG3 GLU A 8 -4.795 -9.603 -8.173 1.00 12.31 H new ATOM 106 N GLY A 9 -3.586 -13.932 -7.085 1.00 50.31 N ATOM 107 CA GLY A 9 -4.086 -15.277 -7.298 1.00 73.24 C ATOM 108 C GLY A 9 -4.002 -16.132 -6.049 1.00 54.32 C ATOM 109 O GLY A 9 -3.815 -15.631 -4.940 1.00 63.12 O ATOM 0 H GLY A 9 -3.895 -13.492 -6.218 1.00 50.31 H new ATOM 0 HA2 GLY A 9 -5.123 -15.227 -7.631 1.00 73.24 H new ATOM 0 HA3 GLY A 9 -3.516 -15.751 -8.098 1.00 73.24 H new ATOM 113 N PRO A 10 -4.145 -17.454 -6.222 1.00 31.25 N ATOM 114 CA PRO A 10 -4.089 -18.408 -5.110 1.00 10.03 C ATOM 115 C PRO A 10 -2.686 -18.536 -4.526 1.00 71.43 C ATOM 116 O PRO A 10 -1.695 -18.510 -5.256 1.00 15.01 O ATOM 117 CB PRO A 10 -4.524 -19.728 -5.752 1.00 41.42 C ATOM 118 CG PRO A 10 -4.183 -19.577 -7.194 1.00 64.35 C ATOM 119 CD PRO A 10 -4.372 -18.120 -7.515 1.00 64.41 C ATOM 0 HA PRO A 10 -4.717 -18.098 -4.275 1.00 10.03 H new ATOM 0 HB2 PRO A 10 -4.002 -20.575 -5.308 1.00 41.42 H new ATOM 0 HB3 PRO A 10 -5.591 -19.903 -5.614 1.00 41.42 H new ATOM 0 HG2 PRO A 10 -3.157 -19.889 -7.387 1.00 64.35 H new ATOM 0 HG3 PRO A 10 -4.827 -20.200 -7.814 1.00 64.35 H new ATOM 0 HD2 PRO A 10 -3.665 -17.780 -8.272 1.00 64.41 H new ATOM 0 HD3 PRO A 10 -5.372 -17.920 -7.900 1.00 64.41 H new ATOM 127 N ALA A 11 -2.609 -18.676 -3.207 1.00 14.01 N ATOM 128 CA ALA A 11 -1.328 -18.811 -2.526 1.00 64.12 C ATOM 129 C ALA A 11 -0.588 -20.061 -2.991 1.00 41.25 C ATOM 130 O ALA A 11 -1.106 -21.172 -2.896 1.00 73.42 O ATOM 131 CB ALA A 11 -1.532 -18.847 -1.019 1.00 4.32 C ATOM 0 H ALA A 11 -3.420 -18.699 -2.588 1.00 14.01 H new ATOM 0 HA ALA A 11 -0.718 -17.944 -2.778 1.00 64.12 H new ATOM 0 HB1 ALA A 11 -0.566 -18.948 -0.523 1.00 4.32 H new ATOM 0 HB2 ALA A 11 -2.011 -17.923 -0.695 1.00 4.32 H new ATOM 0 HB3 ALA A 11 -2.165 -19.695 -0.758 1.00 4.32 H new ATOM 137 N GLY A 12 0.627 -19.870 -3.496 1.00 64.32 N ATOM 138 CA GLY A 12 1.418 -20.991 -3.970 1.00 20.32 C ATOM 139 C GLY A 12 1.477 -21.061 -5.483 1.00 3.21 C ATOM 140 O GLY A 12 1.844 -22.090 -6.051 1.00 31.02 O ATOM 0 H GLY A 12 1.078 -18.959 -3.585 1.00 64.32 H new ATOM 0 HA2 GLY A 12 2.430 -20.911 -3.573 1.00 20.32 H new ATOM 0 HA3 GLY A 12 0.996 -21.919 -3.583 1.00 20.32 H new ATOM 144 N CYS A 13 1.114 -19.964 -6.139 1.00 3.53 N ATOM 145 CA CYS A 13 1.125 -19.904 -7.595 1.00 43.33 C ATOM 146 C CYS A 13 2.536 -19.647 -8.119 1.00 33.35 C ATOM 147 O CYS A 13 3.509 -19.704 -7.367 1.00 20.33 O ATOM 148 CB CYS A 13 0.179 -18.807 -8.089 1.00 22.33 C ATOM 149 SG CYS A 13 0.786 -17.115 -7.797 1.00 45.33 S ATOM 0 H CYS A 13 0.808 -19.104 -5.684 1.00 3.53 H new ATOM 0 HA CYS A 13 0.784 -20.867 -7.975 1.00 43.33 H new ATOM 0 HB2 CYS A 13 0.010 -18.942 -9.157 1.00 22.33 H new ATOM 0 HB3 CYS A 13 -0.786 -18.925 -7.596 1.00 22.33 H new ATOM 154 N LYS A 14 2.638 -19.364 -9.413 1.00 21.33 N ATOM 155 CA LYS A 14 3.928 -19.097 -10.038 1.00 72.22 C ATOM 156 C LYS A 14 4.203 -17.598 -10.100 1.00 33.14 C ATOM 157 O LYS A 14 3.285 -16.783 -9.999 1.00 62.31 O ATOM 158 CB LYS A 14 3.967 -19.692 -11.448 1.00 1.23 C ATOM 159 CG LYS A 14 3.604 -21.166 -11.496 1.00 54.24 C ATOM 160 CD LYS A 14 4.582 -22.008 -10.696 1.00 24.23 C ATOM 161 CE LYS A 14 4.112 -22.196 -9.261 1.00 64.55 C ATOM 162 NZ LYS A 14 4.526 -23.517 -8.711 1.00 75.12 N ATOM 0 H LYS A 14 1.843 -19.314 -10.050 1.00 21.33 H new ATOM 0 HA LYS A 14 4.702 -19.566 -9.430 1.00 72.22 H new ATOM 0 HB2 LYS A 14 3.281 -19.136 -12.087 1.00 1.23 H new ATOM 0 HB3 LYS A 14 4.966 -19.559 -11.862 1.00 1.23 H new ATOM 0 HG2 LYS A 14 2.597 -21.306 -11.104 1.00 54.24 H new ATOM 0 HG3 LYS A 14 3.593 -21.505 -12.532 1.00 54.24 H new ATOM 0 HD2 LYS A 14 4.700 -22.982 -11.172 1.00 24.23 H new ATOM 0 HD3 LYS A 14 5.562 -21.531 -10.699 1.00 24.23 H new ATOM 0 HE2 LYS A 14 4.519 -21.399 -8.638 1.00 64.55 H new ATOM 0 HE3 LYS A 14 3.026 -22.110 -9.220 1.00 64.55 H new ATOM 0 HZ1 LYS A 14 4.187 -23.607 -7.732 1.00 75.12 H new ATOM 0 HZ2 LYS A 14 4.117 -24.278 -9.290 1.00 75.12 H new ATOM 0 HZ3 LYS A 14 5.563 -23.590 -8.726 1.00 75.12 H new ATOM 176 N LYS A 15 5.471 -17.240 -10.267 1.00 24.24 N ATOM 177 CA LYS A 15 5.868 -15.839 -10.345 1.00 32.25 C ATOM 178 C LYS A 15 6.725 -15.584 -11.580 1.00 75.14 C ATOM 179 O LYS A 15 7.056 -16.511 -12.320 1.00 23.12 O ATOM 180 CB LYS A 15 6.637 -15.435 -9.085 1.00 44.21 C ATOM 181 CG LYS A 15 5.747 -15.198 -7.878 1.00 14.41 C ATOM 182 CD LYS A 15 5.632 -16.444 -7.016 1.00 1.31 C ATOM 183 CE LYS A 15 5.030 -16.127 -5.656 1.00 12.14 C ATOM 184 NZ LYS A 15 6.076 -15.790 -4.651 1.00 11.22 N ATOM 0 H LYS A 15 6.243 -17.902 -10.351 1.00 24.24 H new ATOM 0 HA LYS A 15 4.964 -15.235 -10.421 1.00 32.25 H new ATOM 0 HB2 LYS A 15 7.360 -16.215 -8.845 1.00 44.21 H new ATOM 0 HB3 LYS A 15 7.204 -14.527 -9.291 1.00 44.21 H new ATOM 0 HG2 LYS A 15 6.150 -14.379 -7.283 1.00 14.41 H new ATOM 0 HG3 LYS A 15 4.755 -14.892 -8.211 1.00 14.41 H new ATOM 0 HD2 LYS A 15 5.014 -17.184 -7.525 1.00 1.31 H new ATOM 0 HD3 LYS A 15 6.618 -16.889 -6.884 1.00 1.31 H new ATOM 0 HE2 LYS A 15 4.336 -15.292 -5.752 1.00 12.14 H new ATOM 0 HE3 LYS A 15 4.453 -16.983 -5.306 1.00 12.14 H new ATOM 0 HZ1 LYS A 15 5.625 -15.580 -3.738 1.00 11.22 H new ATOM 0 HZ2 LYS A 15 6.724 -16.596 -4.540 1.00 11.22 H new ATOM 0 HZ3 LYS A 15 6.611 -14.958 -4.972 1.00 11.22 H new ATOM 198 N TYR A 16 7.080 -14.323 -11.798 1.00 5.13 N ATOM 199 CA TYR A 16 7.898 -13.946 -12.945 1.00 21.33 C ATOM 200 C TYR A 16 9.188 -14.759 -12.984 1.00 64.44 C ATOM 201 O TYR A 16 9.837 -14.966 -11.959 1.00 20.14 O ATOM 202 CB TYR A 16 8.225 -12.453 -12.896 1.00 53.33 C ATOM 203 CG TYR A 16 9.093 -11.985 -14.042 1.00 62.43 C ATOM 204 CD1 TYR A 16 8.544 -11.709 -15.288 1.00 55.42 C ATOM 205 CD2 TYR A 16 10.463 -11.821 -13.880 1.00 22.51 C ATOM 206 CE1 TYR A 16 9.333 -11.282 -16.338 1.00 62.15 C ATOM 207 CE2 TYR A 16 11.260 -11.394 -14.924 1.00 42.10 C ATOM 208 CZ TYR A 16 10.691 -11.126 -16.151 1.00 53.23 C ATOM 209 OH TYR A 16 11.481 -10.701 -17.194 1.00 65.13 O ATOM 0 H TYR A 16 6.814 -13.544 -11.195 1.00 5.13 H new ATOM 0 HA TYR A 16 7.329 -14.157 -13.850 1.00 21.33 H new ATOM 0 HB2 TYR A 16 7.294 -11.886 -12.901 1.00 53.33 H new ATOM 0 HB3 TYR A 16 8.729 -12.231 -11.955 1.00 53.33 H new ATOM 0 HD1 TYR A 16 7.481 -11.831 -15.438 1.00 55.42 H new ATOM 0 HD2 TYR A 16 10.913 -12.031 -12.921 1.00 22.51 H new ATOM 0 HE1 TYR A 16 8.890 -11.071 -17.300 1.00 62.15 H new ATOM 0 HE2 TYR A 16 12.323 -11.271 -14.780 1.00 42.10 H new ATOM 0 HH TYR A 16 12.413 -10.642 -16.896 1.00 65.13 H new ATOM 219 N ASP A 17 9.555 -15.217 -14.176 1.00 74.44 N ATOM 220 CA ASP A 17 10.768 -16.007 -14.352 1.00 41.24 C ATOM 221 C ASP A 17 10.715 -17.280 -13.514 1.00 14.14 C ATOM 222 O ASP A 17 11.621 -17.556 -12.727 1.00 75.21 O ATOM 223 CB ASP A 17 11.998 -15.182 -13.972 1.00 4.22 C ATOM 224 CG ASP A 17 12.471 -14.291 -15.104 1.00 30.01 C ATOM 225 OD1 ASP A 17 11.820 -14.291 -16.170 1.00 22.15 O ATOM 226 OD2 ASP A 17 13.492 -13.595 -14.925 1.00 2.53 O ATOM 0 H ASP A 17 9.029 -15.055 -15.035 1.00 74.44 H new ATOM 0 HA ASP A 17 10.839 -16.289 -15.403 1.00 41.24 H new ATOM 0 HB2 ASP A 17 11.765 -14.567 -13.103 1.00 4.22 H new ATOM 0 HB3 ASP A 17 12.806 -15.853 -13.680 1.00 4.22 H new ATOM 231 N VAL A 18 9.646 -18.052 -13.686 1.00 42.20 N ATOM 232 CA VAL A 18 9.474 -19.296 -12.945 1.00 42.32 C ATOM 233 C VAL A 18 8.667 -20.308 -13.750 1.00 51.34 C ATOM 234 O VAL A 18 7.737 -19.943 -14.469 1.00 60.11 O ATOM 235 CB VAL A 18 8.773 -19.053 -11.596 1.00 13.13 C ATOM 236 CG1 VAL A 18 8.554 -20.368 -10.863 1.00 4.21 C ATOM 237 CG2 VAL A 18 9.579 -18.085 -10.743 1.00 23.31 C ATOM 0 H VAL A 18 8.886 -17.838 -14.332 1.00 42.20 H new ATOM 0 HA VAL A 18 10.471 -19.695 -12.761 1.00 42.32 H new ATOM 0 HB VAL A 18 7.798 -18.606 -11.789 1.00 13.13 H new ATOM 0 HG11 VAL A 18 8.057 -20.176 -9.912 1.00 4.21 H new ATOM 0 HG12 VAL A 18 7.932 -21.024 -11.471 1.00 4.21 H new ATOM 0 HG13 VAL A 18 9.516 -20.847 -10.680 1.00 4.21 H new ATOM 0 HG21 VAL A 18 9.068 -17.925 -9.793 1.00 23.31 H new ATOM 0 HG22 VAL A 18 10.569 -18.501 -10.557 1.00 23.31 H new ATOM 0 HG23 VAL A 18 9.678 -17.134 -11.267 1.00 23.31 H new ATOM 247 N GLU A 19 9.029 -21.581 -13.624 1.00 40.40 N ATOM 248 CA GLU A 19 8.338 -22.646 -14.341 1.00 15.41 C ATOM 249 C GLU A 19 6.871 -22.718 -13.925 1.00 60.12 C ATOM 250 O GLU A 19 6.486 -22.206 -12.874 1.00 31.14 O ATOM 251 CB GLU A 19 9.019 -23.991 -14.083 1.00 4.24 C ATOM 252 CG GLU A 19 9.202 -24.831 -15.335 1.00 75.32 C ATOM 253 CD GLU A 19 8.924 -26.303 -15.096 1.00 3.22 C ATOM 254 OE1 GLU A 19 7.753 -26.715 -15.225 1.00 72.10 O ATOM 255 OE2 GLU A 19 9.880 -27.042 -14.779 1.00 51.02 O ATOM 0 H GLU A 19 9.796 -21.900 -13.032 1.00 40.40 H new ATOM 0 HA GLU A 19 8.386 -22.422 -15.407 1.00 15.41 H new ATOM 0 HB2 GLU A 19 9.994 -23.814 -13.629 1.00 4.24 H new ATOM 0 HB3 GLU A 19 8.429 -24.555 -13.361 1.00 4.24 H new ATOM 0 HG2 GLU A 19 8.537 -24.462 -16.116 1.00 75.32 H new ATOM 0 HG3 GLU A 19 10.222 -24.713 -15.702 1.00 75.32 H new ATOM 262 N CYS A 20 6.057 -23.357 -14.758 1.00 71.44 N ATOM 263 CA CYS A 20 4.633 -23.497 -14.480 1.00 73.11 C ATOM 264 C CYS A 20 4.074 -24.761 -15.127 1.00 35.12 C ATOM 265 O CYS A 20 4.693 -25.341 -16.019 1.00 41.51 O ATOM 266 CB CYS A 20 3.870 -22.272 -14.987 1.00 0.51 C ATOM 267 SG CYS A 20 3.894 -22.077 -16.798 1.00 23.10 S ATOM 0 H CYS A 20 6.360 -23.787 -15.632 1.00 71.44 H new ATOM 0 HA CYS A 20 4.505 -23.575 -13.400 1.00 73.11 H new ATOM 0 HB2 CYS A 20 2.834 -22.339 -14.653 1.00 0.51 H new ATOM 0 HB3 CYS A 20 4.295 -21.378 -14.531 1.00 0.51 H new ATOM 272 N ASP A 21 2.899 -25.182 -14.671 1.00 22.45 N ATOM 273 CA ASP A 21 2.255 -26.377 -15.205 1.00 1.41 C ATOM 274 C ASP A 21 1.165 -26.005 -16.205 1.00 40.42 C ATOM 275 O ASP A 21 0.465 -25.007 -16.033 1.00 32.01 O ATOM 276 CB ASP A 21 1.660 -27.212 -14.070 1.00 51.04 C ATOM 277 CG ASP A 21 2.713 -28.002 -13.319 1.00 63.10 C ATOM 278 OD1 ASP A 21 3.760 -28.320 -13.923 1.00 34.34 O ATOM 279 OD2 ASP A 21 2.492 -28.301 -12.127 1.00 70.43 O ATOM 0 H ASP A 21 2.373 -24.714 -13.933 1.00 22.45 H new ATOM 0 HA ASP A 21 3.011 -26.968 -15.722 1.00 1.41 H new ATOM 0 HB2 ASP A 21 1.138 -26.555 -13.374 1.00 51.04 H new ATOM 0 HB3 ASP A 21 0.918 -27.898 -14.478 1.00 51.04 H new ATOM 284 N SER A 22 1.028 -26.813 -17.251 1.00 41.05 N ATOM 285 CA SER A 22 0.027 -26.566 -18.282 1.00 72.13 C ATOM 286 C SER A 22 0.213 -25.184 -18.901 1.00 65.12 C ATOM 287 O SER A 22 -0.720 -24.611 -19.461 1.00 11.11 O ATOM 288 CB SER A 22 -1.381 -26.689 -17.696 1.00 2.34 C ATOM 289 OG SER A 22 -1.578 -27.961 -17.104 1.00 24.21 O ATOM 0 H SER A 22 1.598 -27.645 -17.407 1.00 41.05 H new ATOM 0 HA SER A 22 0.155 -27.315 -19.063 1.00 72.13 H new ATOM 0 HB2 SER A 22 -1.537 -25.909 -16.950 1.00 2.34 H new ATOM 0 HB3 SER A 22 -2.120 -26.532 -18.481 1.00 2.34 H new ATOM 0 HG SER A 22 -2.485 -28.013 -16.736 1.00 24.21 H new ATOM 295 N GLY A 23 1.428 -24.654 -18.796 1.00 25.45 N ATOM 296 CA GLY A 23 1.717 -23.344 -19.349 1.00 21.05 C ATOM 297 C GLY A 23 0.830 -22.261 -18.767 1.00 21.10 C ATOM 298 O GLY A 23 0.652 -21.205 -19.373 1.00 0.15 O ATOM 0 H GLY A 23 2.217 -25.109 -18.338 1.00 25.45 H new ATOM 0 HA2 GLY A 23 2.761 -23.095 -19.159 1.00 21.05 H new ATOM 0 HA3 GLY A 23 1.588 -23.373 -20.431 1.00 21.05 H new ATOM 302 N GLU A 24 0.271 -22.525 -17.590 1.00 2.31 N ATOM 303 CA GLU A 24 -0.604 -21.564 -16.929 1.00 33.24 C ATOM 304 C GLU A 24 0.164 -20.755 -15.888 1.00 12.33 C ATOM 305 O GLU A 24 0.821 -21.315 -15.010 1.00 34.14 O ATOM 306 CB GLU A 24 -1.780 -22.285 -16.265 1.00 5.24 C ATOM 307 CG GLU A 24 -2.625 -23.093 -17.235 1.00 4.11 C ATOM 308 CD GLU A 24 -3.034 -22.294 -18.457 1.00 64.44 C ATOM 309 OE1 GLU A 24 -3.696 -21.250 -18.290 1.00 14.41 O ATOM 310 OE2 GLU A 24 -2.690 -22.715 -19.582 1.00 40.01 O ATOM 0 H GLU A 24 0.408 -23.395 -17.075 1.00 2.31 H new ATOM 0 HA GLU A 24 -0.987 -20.879 -17.686 1.00 33.24 H new ATOM 0 HB2 GLU A 24 -1.397 -22.949 -15.490 1.00 5.24 H new ATOM 0 HB3 GLU A 24 -2.414 -21.549 -15.770 1.00 5.24 H new ATOM 0 HG2 GLU A 24 -2.066 -23.974 -17.552 1.00 4.11 H new ATOM 0 HG3 GLU A 24 -3.519 -23.450 -16.723 1.00 4.11 H new ATOM 317 N CYS A 25 0.077 -19.433 -15.993 1.00 0.11 N ATOM 318 CA CYS A 25 0.764 -18.545 -15.063 1.00 14.41 C ATOM 319 C CYS A 25 -0.228 -17.882 -14.111 1.00 52.33 C ATOM 320 O CYS A 25 -1.442 -17.990 -14.287 1.00 71.24 O ATOM 321 CB CYS A 25 1.545 -17.475 -15.829 1.00 32.20 C ATOM 322 SG CYS A 25 3.102 -16.974 -15.027 1.00 14.14 S ATOM 0 H CYS A 25 -0.463 -18.953 -16.713 1.00 0.11 H new ATOM 0 HA CYS A 25 1.461 -19.143 -14.476 1.00 14.41 H new ATOM 0 HB2 CYS A 25 1.767 -17.849 -16.829 1.00 32.20 H new ATOM 0 HB3 CYS A 25 0.912 -16.596 -15.951 1.00 32.20 H new ATOM 327 N CYS A 26 0.297 -17.195 -13.103 1.00 2.54 N ATOM 328 CA CYS A 26 -0.540 -16.514 -12.122 1.00 40.33 C ATOM 329 C CYS A 26 -1.406 -15.450 -12.791 1.00 62.14 C ATOM 330 O CYS A 26 -1.283 -15.200 -13.990 1.00 63.31 O ATOM 331 CB CYS A 26 0.327 -15.873 -11.037 1.00 45.53 C ATOM 332 SG CYS A 26 -0.277 -16.150 -9.341 1.00 61.44 S ATOM 0 H CYS A 26 1.299 -17.095 -12.943 1.00 2.54 H new ATOM 0 HA CYS A 26 -1.195 -17.255 -11.663 1.00 40.33 H new ATOM 0 HB2 CYS A 26 1.341 -16.265 -11.119 1.00 45.53 H new ATOM 0 HB3 CYS A 26 0.384 -14.800 -11.220 1.00 45.53 H new ATOM 337 N GLN A 27 -2.280 -14.828 -12.007 1.00 52.35 N ATOM 338 CA GLN A 27 -3.166 -13.792 -12.524 1.00 54.53 C ATOM 339 C GLN A 27 -2.371 -12.573 -12.980 1.00 0.41 C ATOM 340 O GLN A 27 -2.360 -12.232 -14.163 1.00 10.41 O ATOM 341 CB GLN A 27 -4.183 -13.382 -11.458 1.00 34.04 C ATOM 342 CG GLN A 27 -4.936 -14.556 -10.852 1.00 53.24 C ATOM 343 CD GLN A 27 -5.625 -15.409 -11.899 1.00 33.22 C ATOM 344 OE1 GLN A 27 -6.658 -15.025 -12.449 1.00 1.45 O ATOM 345 NE2 GLN A 27 -5.056 -16.575 -12.180 1.00 73.55 N ATOM 0 H GLN A 27 -2.394 -15.023 -11.012 1.00 52.35 H new ATOM 0 HA GLN A 27 -3.696 -14.200 -13.384 1.00 54.53 H new ATOM 0 HB2 GLN A 27 -3.667 -12.843 -10.664 1.00 34.04 H new ATOM 0 HB3 GLN A 27 -4.900 -12.690 -11.899 1.00 34.04 H new ATOM 0 HG2 GLN A 27 -4.241 -15.175 -10.284 1.00 53.24 H new ATOM 0 HG3 GLN A 27 -5.679 -14.182 -10.147 1.00 53.24 H new ATOM 0 HE21 GLN A 27 -4.200 -16.854 -11.700 1.00 73.55 H new ATOM 0 HE22 GLN A 27 -5.475 -17.192 -12.876 1.00 73.55 H new ATOM 354 N LYS A 28 -1.706 -11.919 -12.034 1.00 11.45 N ATOM 355 CA LYS A 28 -0.907 -10.737 -12.336 1.00 64.55 C ATOM 356 C LYS A 28 0.296 -10.640 -11.403 1.00 70.52 C ATOM 357 O LYS A 28 0.392 -11.377 -10.422 1.00 73.11 O ATOM 358 CB LYS A 28 -1.761 -9.474 -12.218 1.00 12.45 C ATOM 359 CG LYS A 28 -3.095 -9.571 -12.938 1.00 20.23 C ATOM 360 CD LYS A 28 -3.842 -8.248 -12.910 1.00 64.04 C ATOM 361 CE LYS A 28 -5.330 -8.443 -13.154 1.00 13.12 C ATOM 362 NZ LYS A 28 -5.974 -7.205 -13.675 1.00 21.14 N ATOM 0 H LYS A 28 -1.705 -12.188 -11.050 1.00 11.45 H new ATOM 0 HA LYS A 28 -0.544 -10.827 -13.360 1.00 64.55 H new ATOM 0 HB2 LYS A 28 -1.941 -9.265 -11.164 1.00 12.45 H new ATOM 0 HB3 LYS A 28 -1.202 -8.629 -12.619 1.00 12.45 H new ATOM 0 HG2 LYS A 28 -2.930 -9.875 -13.972 1.00 20.23 H new ATOM 0 HG3 LYS A 28 -3.706 -10.344 -12.472 1.00 20.23 H new ATOM 0 HD2 LYS A 28 -3.691 -7.764 -11.945 1.00 64.04 H new ATOM 0 HD3 LYS A 28 -3.432 -7.581 -13.669 1.00 64.04 H new ATOM 0 HE2 LYS A 28 -5.478 -9.256 -13.865 1.00 13.12 H new ATOM 0 HE3 LYS A 28 -5.815 -8.741 -12.224 1.00 13.12 H new ATOM 0 HZ1 LYS A 28 -6.988 -7.379 -13.828 1.00 21.14 H new ATOM 0 HZ2 LYS A 28 -5.855 -6.435 -12.986 1.00 21.14 H new ATOM 0 HZ3 LYS A 28 -5.529 -6.935 -14.575 1.00 21.14 H new ATOM 376 N GLN A 29 1.209 -9.727 -11.715 1.00 43.32 N ATOM 377 CA GLN A 29 2.405 -9.534 -10.903 1.00 13.20 C ATOM 378 C GLN A 29 2.865 -8.081 -10.949 1.00 2.45 C ATOM 379 O GLN A 29 2.666 -7.387 -11.946 1.00 14.32 O ATOM 380 CB GLN A 29 3.528 -10.453 -11.385 1.00 45.35 C ATOM 381 CG GLN A 29 4.842 -10.245 -10.650 1.00 23.25 C ATOM 382 CD GLN A 29 5.674 -11.510 -10.573 1.00 23.14 C ATOM 383 OE1 GLN A 29 5.167 -12.614 -10.773 1.00 15.05 O ATOM 384 NE2 GLN A 29 6.961 -11.356 -10.282 1.00 32.11 N ATOM 0 H GLN A 29 1.144 -9.109 -12.524 1.00 43.32 H new ATOM 0 HA GLN A 29 2.158 -9.785 -9.871 1.00 13.20 H new ATOM 0 HB2 GLN A 29 3.214 -11.490 -11.265 1.00 45.35 H new ATOM 0 HB3 GLN A 29 3.688 -10.290 -12.451 1.00 45.35 H new ATOM 0 HG2 GLN A 29 5.416 -9.467 -11.153 1.00 23.25 H new ATOM 0 HG3 GLN A 29 4.637 -9.888 -9.641 1.00 23.25 H new ATOM 0 HE21 GLN A 29 7.340 -10.422 -10.124 1.00 32.11 H new ATOM 0 HE22 GLN A 29 7.570 -12.171 -10.217 1.00 32.11 H new ATOM 393 N TYR A 30 3.482 -7.626 -9.863 1.00 74.41 N ATOM 394 CA TYR A 30 3.968 -6.254 -9.778 1.00 60.51 C ATOM 395 C TYR A 30 5.347 -6.125 -10.417 1.00 5.01 C ATOM 396 O TYR A 30 6.371 -6.306 -9.755 1.00 53.43 O ATOM 397 CB TYR A 30 4.025 -5.801 -8.318 1.00 40.15 C ATOM 398 CG TYR A 30 4.008 -4.298 -8.150 1.00 74.32 C ATOM 399 CD1 TYR A 30 3.081 -3.515 -8.827 1.00 41.32 C ATOM 400 CD2 TYR A 30 4.918 -3.662 -7.315 1.00 72.22 C ATOM 401 CE1 TYR A 30 3.062 -2.141 -8.677 1.00 73.52 C ATOM 402 CE2 TYR A 30 4.905 -2.290 -7.158 1.00 52.10 C ATOM 403 CZ TYR A 30 3.975 -1.534 -7.841 1.00 41.12 C ATOM 404 OH TYR A 30 3.960 -0.166 -7.688 1.00 71.44 O ATOM 0 H TYR A 30 3.657 -8.188 -9.030 1.00 74.41 H new ATOM 0 HA TYR A 30 3.274 -5.614 -10.323 1.00 60.51 H new ATOM 0 HB2 TYR A 30 3.178 -6.228 -7.780 1.00 40.15 H new ATOM 0 HB3 TYR A 30 4.929 -6.200 -7.857 1.00 40.15 H new ATOM 0 HD1 TYR A 30 2.363 -3.988 -9.481 1.00 41.32 H new ATOM 0 HD2 TYR A 30 5.648 -4.251 -6.779 1.00 72.22 H new ATOM 0 HE1 TYR A 30 2.336 -1.546 -9.212 1.00 73.52 H new ATOM 0 HE2 TYR A 30 5.619 -1.812 -6.504 1.00 52.10 H new ATOM 0 HH TYR A 30 4.013 0.262 -8.568 1.00 71.44 H new ATOM 414 N LEU A 31 5.367 -5.810 -11.707 1.00 62.33 N ATOM 415 CA LEU A 31 6.620 -5.655 -12.438 1.00 24.21 C ATOM 416 C LEU A 31 6.845 -4.199 -12.831 1.00 53.43 C ATOM 417 O LEU A 31 5.928 -3.524 -13.301 1.00 62.43 O ATOM 418 CB LEU A 31 6.618 -6.538 -13.687 1.00 20.20 C ATOM 419 CG LEU A 31 6.878 -8.027 -13.457 1.00 22.32 C ATOM 420 CD1 LEU A 31 5.616 -8.836 -13.712 1.00 55.54 C ATOM 421 CD2 LEU A 31 8.014 -8.514 -14.345 1.00 50.20 C ATOM 0 H LEU A 31 4.530 -5.657 -12.269 1.00 62.33 H new ATOM 0 HA LEU A 31 7.434 -5.965 -11.783 1.00 24.21 H new ATOM 0 HB2 LEU A 31 5.653 -6.430 -14.182 1.00 20.20 H new ATOM 0 HB3 LEU A 31 7.373 -6.160 -14.376 1.00 20.20 H new ATOM 0 HG LEU A 31 7.171 -8.168 -12.416 1.00 22.32 H new ATOM 0 HD11 LEU A 31 5.821 -9.893 -13.543 1.00 55.54 H new ATOM 0 HD12 LEU A 31 4.829 -8.506 -13.034 1.00 55.54 H new ATOM 0 HD13 LEU A 31 5.292 -8.689 -14.742 1.00 55.54 H new ATOM 0 HD21 LEU A 31 8.185 -9.576 -14.168 1.00 50.20 H new ATOM 0 HD22 LEU A 31 7.750 -8.359 -15.391 1.00 50.20 H new ATOM 0 HD23 LEU A 31 8.922 -7.957 -14.113 1.00 50.20 H new ATOM 433 N TRP A 32 8.069 -3.721 -12.638 1.00 73.10 N ATOM 434 CA TRP A 32 8.414 -2.345 -12.975 1.00 12.41 C ATOM 435 C TRP A 32 7.450 -1.365 -12.315 1.00 50.31 C ATOM 436 O TRP A 32 7.019 -0.391 -12.934 1.00 24.21 O ATOM 437 CB TRP A 32 8.399 -2.150 -14.492 1.00 23.11 C ATOM 438 CG TRP A 32 9.634 -2.664 -15.169 1.00 30.25 C ATOM 439 CD1 TRP A 32 10.143 -3.929 -15.094 1.00 74.45 C ATOM 440 CD2 TRP A 32 10.516 -1.924 -16.020 1.00 33.31 C ATOM 441 NE1 TRP A 32 11.288 -4.021 -15.849 1.00 14.33 N ATOM 442 CE2 TRP A 32 11.537 -2.804 -16.427 1.00 64.52 C ATOM 443 CE3 TRP A 32 10.541 -0.605 -16.480 1.00 13.14 C ATOM 444 CZ2 TRP A 32 12.571 -2.405 -17.270 1.00 61.32 C ATOM 445 CZ3 TRP A 32 11.568 -0.210 -17.316 1.00 35.21 C ATOM 446 CH2 TRP A 32 12.571 -1.108 -17.705 1.00 12.21 C ATOM 0 H TRP A 32 8.839 -4.266 -12.250 1.00 73.10 H new ATOM 0 HA TRP A 32 9.418 -2.147 -12.600 1.00 12.41 H new ATOM 0 HB2 TRP A 32 7.528 -2.656 -14.908 1.00 23.11 H new ATOM 0 HB3 TRP A 32 8.287 -1.089 -14.714 1.00 23.11 H new ATOM 0 HD1 TRP A 32 9.710 -4.738 -14.525 1.00 74.45 H new ATOM 0 HE1 TRP A 32 11.859 -4.859 -15.961 1.00 14.33 H new ATOM 0 HE3 TRP A 32 9.771 0.094 -16.187 1.00 13.14 H new ATOM 0 HZ2 TRP A 32 13.346 -3.095 -17.570 1.00 61.32 H new ATOM 0 HZ3 TRP A 32 11.598 0.808 -17.676 1.00 35.21 H new ATOM 0 HH2 TRP A 32 13.359 -0.770 -18.361 1.00 12.21 H new ATOM 457 N TYR A 33 7.115 -1.627 -11.057 1.00 23.52 N ATOM 458 CA TYR A 33 6.200 -0.769 -10.314 1.00 61.11 C ATOM 459 C TYR A 33 4.839 -0.702 -11.000 1.00 11.41 C ATOM 460 O TYR A 33 4.097 0.268 -10.841 1.00 43.32 O ATOM 461 CB TYR A 33 6.785 0.638 -10.177 1.00 72.31 C ATOM 462 CG TYR A 33 8.158 0.664 -9.545 1.00 63.44 C ATOM 463 CD1 TYR A 33 8.381 0.098 -8.296 1.00 61.43 C ATOM 464 CD2 TYR A 33 9.234 1.253 -10.198 1.00 54.55 C ATOM 465 CE1 TYR A 33 9.634 0.120 -7.715 1.00 61.12 C ATOM 466 CE2 TYR A 33 10.491 1.279 -9.626 1.00 35.04 C ATOM 467 CZ TYR A 33 10.686 0.711 -8.384 1.00 14.42 C ATOM 468 OH TYR A 33 11.936 0.734 -7.809 1.00 14.31 O ATOM 0 H TYR A 33 7.464 -2.428 -10.530 1.00 23.52 H new ATOM 0 HA TYR A 33 6.065 -1.197 -9.321 1.00 61.11 H new ATOM 0 HB2 TYR A 33 6.840 1.097 -11.164 1.00 72.31 H new ATOM 0 HB3 TYR A 33 6.107 1.247 -9.579 1.00 72.31 H new ATOM 0 HD1 TYR A 33 7.560 -0.367 -7.770 1.00 61.43 H new ATOM 0 HD2 TYR A 33 9.085 1.699 -11.170 1.00 54.55 H new ATOM 0 HE1 TYR A 33 9.789 -0.323 -6.742 1.00 61.12 H new ATOM 0 HE2 TYR A 33 11.316 1.741 -10.148 1.00 35.04 H new ATOM 0 HH TYR A 33 12.564 1.186 -8.410 1.00 14.31 H new ATOM 478 N LYS A 34 4.516 -1.740 -11.763 1.00 64.24 N ATOM 479 CA LYS A 34 3.244 -1.803 -12.473 1.00 44.23 C ATOM 480 C LYS A 34 2.715 -3.233 -12.517 1.00 4.21 C ATOM 481 O LYS A 34 3.457 -4.170 -12.813 1.00 52.32 O ATOM 482 CB LYS A 34 3.404 -1.263 -13.896 1.00 61.25 C ATOM 483 CG LYS A 34 3.192 0.237 -14.006 1.00 33.24 C ATOM 484 CD LYS A 34 4.509 0.992 -13.945 1.00 13.32 C ATOM 485 CE LYS A 34 4.481 2.232 -14.825 1.00 41.24 C ATOM 486 NZ LYS A 34 3.513 3.247 -14.325 1.00 33.33 N ATOM 0 H LYS A 34 5.118 -2.551 -11.906 1.00 64.24 H new ATOM 0 HA LYS A 34 2.525 -1.185 -11.935 1.00 44.23 H new ATOM 0 HB2 LYS A 34 4.403 -1.508 -14.258 1.00 61.25 H new ATOM 0 HB3 LYS A 34 2.695 -1.770 -14.550 1.00 61.25 H new ATOM 0 HG2 LYS A 34 2.683 0.466 -14.943 1.00 33.24 H new ATOM 0 HG3 LYS A 34 2.541 0.574 -13.199 1.00 33.24 H new ATOM 0 HD2 LYS A 34 4.717 1.280 -12.915 1.00 13.32 H new ATOM 0 HD3 LYS A 34 5.320 0.337 -14.263 1.00 13.32 H new ATOM 0 HE2 LYS A 34 5.478 2.671 -14.866 1.00 41.24 H new ATOM 0 HE3 LYS A 34 4.216 1.948 -15.843 1.00 41.24 H new ATOM 0 HZ1 LYS A 34 3.524 4.076 -14.952 1.00 33.33 H new ATOM 0 HZ2 LYS A 34 2.557 2.837 -14.310 1.00 33.33 H new ATOM 0 HZ3 LYS A 34 3.780 3.537 -13.363 1.00 33.33 H new ATOM 500 N TRP A 35 1.431 -3.392 -12.221 1.00 74.44 N ATOM 501 CA TRP A 35 0.803 -4.709 -12.229 1.00 13.14 C ATOM 502 C TRP A 35 0.473 -5.147 -13.651 1.00 61.02 C ATOM 503 O TRP A 35 -0.454 -4.626 -14.272 1.00 31.43 O ATOM 504 CB TRP A 35 -0.469 -4.695 -11.379 1.00 2.25 C ATOM 505 CG TRP A 35 -0.201 -4.535 -9.912 1.00 74.14 C ATOM 506 CD1 TRP A 35 -0.152 -3.364 -9.211 1.00 73.31 C ATOM 507 CD2 TRP A 35 0.055 -5.581 -8.969 1.00 64.23 C ATOM 508 NE1 TRP A 35 0.120 -3.620 -7.889 1.00 14.54 N ATOM 509 CE2 TRP A 35 0.250 -4.972 -7.714 1.00 45.13 C ATOM 510 CE3 TRP A 35 0.137 -6.973 -9.062 1.00 64.11 C ATOM 511 CZ2 TRP A 35 0.523 -5.708 -6.564 1.00 43.23 C ATOM 512 CZ3 TRP A 35 0.409 -7.702 -7.920 1.00 14.01 C ATOM 513 CH2 TRP A 35 0.598 -7.069 -6.684 1.00 41.13 C ATOM 0 H TRP A 35 0.804 -2.627 -11.973 1.00 74.44 H new ATOM 0 HA TRP A 35 1.509 -5.423 -11.804 1.00 13.14 H new ATOM 0 HB2 TRP A 35 -1.113 -3.882 -11.714 1.00 2.25 H new ATOM 0 HB3 TRP A 35 -1.017 -5.623 -11.542 1.00 2.25 H new ATOM 0 HD1 TRP A 35 -0.305 -2.382 -9.634 1.00 73.31 H new ATOM 0 HE1 TRP A 35 0.211 -2.917 -7.156 1.00 14.54 H new ATOM 0 HE3 TRP A 35 -0.010 -7.470 -10.010 1.00 64.11 H new ATOM 0 HZ2 TRP A 35 0.670 -5.222 -5.611 1.00 43.23 H new ATOM 0 HZ3 TRP A 35 0.477 -8.778 -7.981 1.00 14.01 H new ATOM 0 HH2 TRP A 35 0.807 -7.667 -5.809 1.00 41.13 H new ATOM 524 N ARG A 36 1.237 -6.107 -14.162 1.00 43.34 N ATOM 525 CA ARG A 36 1.026 -6.614 -15.513 1.00 1.41 C ATOM 526 C ARG A 36 0.808 -8.124 -15.499 1.00 3.20 C ATOM 527 O ARG A 36 1.194 -8.823 -14.562 1.00 2.33 O ATOM 528 CB ARG A 36 2.221 -6.268 -16.403 1.00 24.10 C ATOM 529 CG ARG A 36 3.558 -6.336 -15.682 1.00 15.34 C ATOM 530 CD ARG A 36 4.705 -5.932 -16.595 1.00 15.44 C ATOM 531 NE ARG A 36 5.057 -4.523 -16.440 1.00 10.21 N ATOM 532 CZ ARG A 36 5.763 -3.839 -17.334 1.00 31.41 C ATOM 533 NH1 ARG A 36 6.189 -4.432 -18.441 1.00 20.34 N ATOM 534 NH2 ARG A 36 6.043 -2.560 -17.122 1.00 4.11 N ATOM 0 H ARG A 36 2.008 -6.549 -13.661 1.00 43.34 H new ATOM 0 HA ARG A 36 0.132 -6.139 -15.917 1.00 1.41 H new ATOM 0 HB2 ARG A 36 2.241 -6.951 -17.252 1.00 24.10 H new ATOM 0 HB3 ARG A 36 2.085 -5.264 -16.805 1.00 24.10 H new ATOM 0 HG2 ARG A 36 3.537 -5.681 -14.811 1.00 15.34 H new ATOM 0 HG3 ARG A 36 3.723 -7.349 -15.315 1.00 15.34 H new ATOM 0 HD2 ARG A 36 5.576 -6.550 -16.377 1.00 15.44 H new ATOM 0 HD3 ARG A 36 4.429 -6.125 -17.632 1.00 15.44 H new ATOM 0 HE ARG A 36 4.744 -4.037 -15.599 1.00 10.21 H new ATOM 0 HH11 ARG A 36 5.975 -5.415 -18.608 1.00 20.34 H new ATOM 0 HH12 ARG A 36 6.731 -3.905 -19.126 1.00 20.34 H new ATOM 0 HH21 ARG A 36 5.716 -2.101 -16.272 1.00 4.11 H new ATOM 0 HH22 ARG A 36 6.585 -2.036 -17.809 1.00 4.11 H new ATOM 548 N PRO A 37 0.175 -8.640 -16.562 1.00 73.43 N ATOM 549 CA PRO A 37 -0.109 -10.072 -16.696 1.00 62.42 C ATOM 550 C PRO A 37 1.155 -10.894 -16.926 1.00 74.55 C ATOM 551 O PRO A 37 2.248 -10.345 -17.065 1.00 64.23 O ATOM 552 CB PRO A 37 -1.022 -10.140 -17.923 1.00 22.11 C ATOM 553 CG PRO A 37 -0.680 -8.927 -18.717 1.00 63.02 C ATOM 554 CD PRO A 37 -0.313 -7.866 -17.716 1.00 72.52 C ATOM 0 HA PRO A 37 -0.556 -10.485 -15.792 1.00 62.42 H new ATOM 0 HB2 PRO A 37 -0.848 -11.051 -18.496 1.00 22.11 H new ATOM 0 HB3 PRO A 37 -2.073 -10.141 -17.635 1.00 22.11 H new ATOM 0 HG2 PRO A 37 0.149 -9.126 -19.396 1.00 63.02 H new ATOM 0 HG3 PRO A 37 -1.525 -8.610 -19.329 1.00 63.02 H new ATOM 0 HD2 PRO A 37 0.454 -7.196 -18.104 1.00 72.52 H new ATOM 0 HD3 PRO A 37 -1.172 -7.249 -17.452 1.00 72.52 H new ATOM 562 N LEU A 38 0.998 -12.213 -16.967 1.00 13.05 N ATOM 563 CA LEU A 38 2.127 -13.112 -17.181 1.00 13.31 C ATOM 564 C LEU A 38 1.766 -14.211 -18.175 1.00 23.45 C ATOM 565 O LEU A 38 0.618 -14.649 -18.242 1.00 35.04 O ATOM 566 CB LEU A 38 2.569 -13.732 -15.854 1.00 42.05 C ATOM 567 CG LEU A 38 3.010 -12.750 -14.768 1.00 61.23 C ATOM 568 CD1 LEU A 38 3.244 -13.478 -13.454 1.00 24.22 C ATOM 569 CD2 LEU A 38 4.266 -12.007 -15.199 1.00 52.44 C ATOM 0 H LEU A 38 0.100 -12.683 -16.855 1.00 13.05 H new ATOM 0 HA LEU A 38 2.951 -12.530 -17.595 1.00 13.31 H new ATOM 0 HB2 LEU A 38 1.745 -14.329 -15.463 1.00 42.05 H new ATOM 0 HB3 LEU A 38 3.393 -14.417 -16.053 1.00 42.05 H new ATOM 0 HG LEU A 38 2.214 -12.021 -14.619 1.00 61.23 H new ATOM 0 HD11 LEU A 38 3.557 -12.763 -12.693 1.00 24.22 H new ATOM 0 HD12 LEU A 38 2.321 -13.964 -13.138 1.00 24.22 H new ATOM 0 HD13 LEU A 38 4.022 -14.230 -13.588 1.00 24.22 H new ATOM 0 HD21 LEU A 38 4.565 -11.313 -14.414 1.00 52.44 H new ATOM 0 HD22 LEU A 38 5.069 -12.722 -15.376 1.00 52.44 H new ATOM 0 HD23 LEU A 38 4.065 -11.453 -16.116 1.00 52.44 H new ATOM 581 N ASP A 39 2.755 -14.655 -18.943 1.00 3.24 N ATOM 582 CA ASP A 39 2.544 -15.706 -19.931 1.00 35.12 C ATOM 583 C ASP A 39 3.724 -16.672 -19.959 1.00 3.44 C ATOM 584 O ASP A 39 4.864 -16.269 -20.192 1.00 42.42 O ATOM 585 CB ASP A 39 2.334 -15.097 -21.318 1.00 1.10 C ATOM 586 CG ASP A 39 2.050 -16.147 -22.374 1.00 43.44 C ATOM 587 OD1 ASP A 39 1.748 -17.299 -22.000 1.00 34.10 O ATOM 588 OD2 ASP A 39 2.130 -15.815 -23.576 1.00 21.44 O ATOM 0 H ASP A 39 3.711 -14.303 -18.900 1.00 3.24 H new ATOM 0 HA ASP A 39 1.650 -16.262 -19.648 1.00 35.12 H new ATOM 0 HB2 ASP A 39 1.505 -14.391 -21.280 1.00 1.10 H new ATOM 0 HB3 ASP A 39 3.222 -14.531 -21.602 1.00 1.10 H new ATOM 593 N CYS A 40 3.444 -17.948 -19.718 1.00 1.02 N ATOM 594 CA CYS A 40 4.482 -18.972 -19.714 1.00 1.34 C ATOM 595 C CYS A 40 5.027 -19.199 -21.121 1.00 25.24 C ATOM 596 O CYS A 40 4.519 -20.036 -21.867 1.00 30.14 O ATOM 597 CB CYS A 40 3.932 -20.283 -19.150 1.00 30.23 C ATOM 598 SG CYS A 40 5.102 -21.182 -18.081 1.00 11.21 S ATOM 0 H CYS A 40 2.506 -18.298 -19.523 1.00 1.02 H new ATOM 0 HA CYS A 40 5.297 -18.625 -19.079 1.00 1.34 H new ATOM 0 HB2 CYS A 40 3.027 -20.070 -18.581 1.00 30.23 H new ATOM 0 HB3 CYS A 40 3.643 -20.930 -19.979 1.00 30.23 H new ATOM 603 N ARG A 41 6.065 -18.449 -21.475 1.00 42.44 N ATOM 604 CA ARG A 41 6.679 -18.567 -22.792 1.00 62.44 C ATOM 605 C ARG A 41 8.098 -19.117 -22.683 1.00 64.21 C ATOM 606 O ARG A 41 8.745 -18.995 -21.642 1.00 53.42 O ATOM 607 CB ARG A 41 6.700 -17.208 -23.493 1.00 41.23 C ATOM 608 CG ARG A 41 5.322 -16.711 -23.900 1.00 4.23 C ATOM 609 CD ARG A 41 4.975 -17.132 -25.319 1.00 15.21 C ATOM 610 NE ARG A 41 3.867 -16.353 -25.865 1.00 54.40 N ATOM 611 CZ ARG A 41 3.190 -16.700 -26.954 1.00 64.13 C ATOM 612 NH1 ARG A 41 3.507 -17.808 -27.610 1.00 44.11 N ATOM 613 NH2 ARG A 41 2.194 -15.939 -27.389 1.00 44.14 N ATOM 0 H ARG A 41 6.499 -17.753 -20.868 1.00 42.44 H new ATOM 0 HA ARG A 41 6.082 -19.263 -23.382 1.00 62.44 H new ATOM 0 HB2 ARG A 41 7.161 -16.474 -22.831 1.00 41.23 H new ATOM 0 HB3 ARG A 41 7.329 -17.276 -24.381 1.00 41.23 H new ATOM 0 HG2 ARG A 41 4.574 -17.102 -23.210 1.00 4.23 H new ATOM 0 HG3 ARG A 41 5.289 -15.624 -23.823 1.00 4.23 H new ATOM 0 HD2 ARG A 41 5.851 -17.013 -25.957 1.00 15.21 H new ATOM 0 HD3 ARG A 41 4.714 -18.190 -25.330 1.00 15.21 H new ATOM 0 HE ARG A 41 3.598 -15.495 -25.384 1.00 54.40 H new ATOM 0 HH11 ARG A 41 4.272 -18.396 -27.279 1.00 44.11 H new ATOM 0 HH12 ARG A 41 2.986 -18.073 -28.446 1.00 44.11 H new ATOM 0 HH21 ARG A 41 1.947 -15.086 -26.887 1.00 44.14 H new ATOM 0 HH22 ARG A 41 1.675 -16.207 -28.225 1.00 44.14 H new ATOM 627 N CYS A 42 8.577 -19.724 -23.764 1.00 1.00 N ATOM 628 CA CYS A 42 9.919 -20.294 -23.791 1.00 12.34 C ATOM 629 C CYS A 42 10.867 -19.414 -24.600 1.00 62.34 C ATOM 630 O CYS A 42 10.830 -19.411 -25.832 1.00 21.44 O ATOM 631 CB CYS A 42 9.885 -21.705 -24.381 1.00 53.31 C ATOM 632 SG CYS A 42 8.559 -22.759 -23.711 1.00 22.42 S ATOM 0 H CYS A 42 8.055 -19.834 -24.633 1.00 1.00 H new ATOM 0 HA CYS A 42 10.286 -20.346 -22.766 1.00 12.34 H new ATOM 0 HB2 CYS A 42 9.766 -21.632 -25.462 1.00 53.31 H new ATOM 0 HB3 CYS A 42 10.845 -22.187 -24.198 1.00 53.31 H new ATOM 637 N LEU A 43 11.716 -18.670 -23.901 1.00 44.41 N ATOM 638 CA LEU A 43 12.676 -17.786 -24.554 1.00 53.42 C ATOM 639 C LEU A 43 13.984 -17.729 -23.772 1.00 10.21 C ATOM 640 O LEU A 43 13.990 -17.463 -22.570 1.00 23.33 O ATOM 641 CB LEU A 43 12.090 -16.379 -24.694 1.00 23.33 C ATOM 642 CG LEU A 43 11.493 -15.772 -23.424 1.00 0.11 C ATOM 643 CD1 LEU A 43 12.534 -14.943 -22.688 1.00 1.11 C ATOM 644 CD2 LEU A 43 10.274 -14.925 -23.760 1.00 44.31 C ATOM 0 H LEU A 43 11.760 -18.661 -22.882 1.00 44.41 H new ATOM 0 HA LEU A 43 12.885 -18.187 -25.546 1.00 53.42 H new ATOM 0 HB2 LEU A 43 12.874 -15.715 -25.056 1.00 23.33 H new ATOM 0 HB3 LEU A 43 11.315 -16.404 -25.460 1.00 23.33 H new ATOM 0 HG LEU A 43 11.177 -16.585 -22.770 1.00 0.11 H new ATOM 0 HD11 LEU A 43 12.091 -14.519 -21.787 1.00 1.11 H new ATOM 0 HD12 LEU A 43 13.377 -15.577 -22.414 1.00 1.11 H new ATOM 0 HD13 LEU A 43 12.881 -14.138 -23.335 1.00 1.11 H new ATOM 0 HD21 LEU A 43 9.862 -14.501 -22.844 1.00 44.31 H new ATOM 0 HD22 LEU A 43 10.565 -14.119 -24.434 1.00 44.31 H new ATOM 0 HD23 LEU A 43 9.520 -15.547 -24.243 1.00 44.31 H new ATOM 656 N LYS A 44 15.091 -17.978 -24.462 1.00 64.14 N ATOM 657 CA LYS A 44 16.407 -17.952 -23.835 1.00 22.44 C ATOM 658 C LYS A 44 17.457 -17.403 -24.795 1.00 5.04 C ATOM 659 O LYS A 44 17.306 -17.493 -26.013 1.00 23.31 O ATOM 660 CB LYS A 44 16.804 -19.358 -23.377 1.00 43.14 C ATOM 661 CG LYS A 44 16.122 -19.795 -22.093 1.00 32.21 C ATOM 662 CD LYS A 44 16.662 -19.040 -20.890 1.00 35.32 C ATOM 663 CE LYS A 44 18.009 -19.589 -20.446 1.00 34.54 C ATOM 664 NZ LYS A 44 18.537 -18.868 -19.255 1.00 53.50 N ATOM 0 H LYS A 44 15.103 -18.201 -25.457 1.00 64.14 H new ATOM 0 HA LYS A 44 16.355 -17.295 -22.967 1.00 22.44 H new ATOM 0 HB2 LYS A 44 16.563 -20.070 -24.167 1.00 43.14 H new ATOM 0 HB3 LYS A 44 17.884 -19.393 -23.235 1.00 43.14 H new ATOM 0 HG2 LYS A 44 15.048 -19.629 -22.176 1.00 32.21 H new ATOM 0 HG3 LYS A 44 16.269 -20.865 -21.948 1.00 32.21 H new ATOM 0 HD2 LYS A 44 16.762 -17.983 -21.137 1.00 35.32 H new ATOM 0 HD3 LYS A 44 15.951 -19.109 -20.067 1.00 35.32 H new ATOM 0 HE2 LYS A 44 17.910 -20.649 -20.214 1.00 34.54 H new ATOM 0 HE3 LYS A 44 18.723 -19.507 -21.266 1.00 34.54 H new ATOM 0 HZ1 LYS A 44 19.456 -19.272 -18.984 1.00 53.50 H new ATOM 0 HZ2 LYS A 44 18.656 -17.860 -19.484 1.00 53.50 H new ATOM 0 HZ3 LYS A 44 17.869 -18.967 -18.464 1.00 53.50 H new ATOM 678 N SER A 45 18.522 -16.835 -24.238 1.00 3.23 N ATOM 679 CA SER A 45 19.597 -16.269 -25.045 1.00 13.21 C ATOM 680 C SER A 45 20.932 -16.926 -24.710 1.00 60.40 C ATOM 681 O SER A 45 21.477 -16.733 -23.624 1.00 42.23 O ATOM 682 CB SER A 45 19.689 -14.758 -24.822 1.00 22.12 C ATOM 683 OG SER A 45 20.742 -14.194 -25.584 1.00 51.51 O ATOM 0 H SER A 45 18.664 -16.755 -23.231 1.00 3.23 H new ATOM 0 HA SER A 45 19.371 -16.462 -26.094 1.00 13.21 H new ATOM 0 HB2 SER A 45 18.745 -14.288 -25.097 1.00 22.12 H new ATOM 0 HB3 SER A 45 19.851 -14.552 -23.764 1.00 22.12 H new ATOM 0 HG SER A 45 20.779 -13.228 -25.426 1.00 51.51 H new ATOM 689 N GLY A 46 21.454 -17.706 -25.653 1.00 34.15 N ATOM 690 CA GLY A 46 22.720 -18.381 -25.440 1.00 24.35 C ATOM 691 C GLY A 46 22.586 -19.891 -25.475 1.00 11.34 C ATOM 692 O GLY A 46 23.423 -20.583 -26.054 1.00 4.41 O ATOM 0 H GLY A 46 21.022 -17.882 -26.560 1.00 34.15 H new ATOM 0 HA2 GLY A 46 23.430 -18.065 -26.204 1.00 24.35 H new ATOM 0 HA3 GLY A 46 23.132 -18.078 -24.477 1.00 24.35 H new ATOM 696 N PHE A 47 21.530 -20.404 -24.852 1.00 0.33 N ATOM 697 CA PHE A 47 21.290 -21.842 -24.811 1.00 41.45 C ATOM 698 C PHE A 47 20.436 -22.284 -25.996 1.00 42.22 C ATOM 699 O PHE A 47 19.570 -21.543 -26.462 1.00 61.34 O ATOM 700 CB PHE A 47 20.603 -22.229 -23.500 1.00 41.04 C ATOM 701 CG PHE A 47 21.509 -22.154 -22.304 1.00 75.43 C ATOM 702 CD1 PHE A 47 22.621 -22.975 -22.209 1.00 11.02 C ATOM 703 CD2 PHE A 47 21.248 -21.263 -21.276 1.00 33.42 C ATOM 704 CE1 PHE A 47 23.455 -22.909 -21.109 1.00 2.21 C ATOM 705 CE2 PHE A 47 22.079 -21.192 -20.174 1.00 34.45 C ATOM 706 CZ PHE A 47 23.184 -22.016 -20.091 1.00 4.44 C ATOM 0 H PHE A 47 20.827 -19.845 -24.369 1.00 0.33 H new ATOM 0 HA PHE A 47 22.254 -22.348 -24.871 1.00 41.45 H new ATOM 0 HB2 PHE A 47 19.748 -21.573 -23.340 1.00 41.04 H new ATOM 0 HB3 PHE A 47 20.214 -23.243 -23.588 1.00 41.04 H new ATOM 0 HD1 PHE A 47 22.838 -23.674 -23.003 1.00 11.02 H new ATOM 0 HD2 PHE A 47 20.385 -20.616 -21.336 1.00 33.42 H new ATOM 0 HE1 PHE A 47 24.318 -23.555 -21.046 1.00 2.21 H new ATOM 0 HE2 PHE A 47 21.865 -20.493 -19.379 1.00 34.45 H new ATOM 0 HZ PHE A 47 23.835 -21.962 -19.231 1.00 4.44 H new ATOM 716 N PHE A 48 20.688 -23.496 -26.479 1.00 75.11 N ATOM 717 CA PHE A 48 19.944 -24.038 -27.611 1.00 12.44 C ATOM 718 C PHE A 48 18.528 -24.428 -27.195 1.00 5.35 C ATOM 719 O PHE A 48 17.577 -24.262 -27.958 1.00 44.32 O ATOM 720 CB PHE A 48 20.670 -25.253 -28.191 1.00 1.20 C ATOM 721 CG PHE A 48 20.756 -26.411 -27.239 1.00 2.05 C ATOM 722 CD1 PHE A 48 21.829 -26.532 -26.370 1.00 33.14 C ATOM 723 CD2 PHE A 48 19.765 -27.378 -27.212 1.00 35.24 C ATOM 724 CE1 PHE A 48 21.911 -27.597 -25.493 1.00 33.32 C ATOM 725 CE2 PHE A 48 19.841 -28.445 -26.337 1.00 31.53 C ATOM 726 CZ PHE A 48 20.915 -28.554 -25.475 1.00 70.54 C ATOM 0 H PHE A 48 21.401 -24.122 -26.105 1.00 75.11 H new ATOM 0 HA PHE A 48 19.879 -23.263 -28.375 1.00 12.44 H new ATOM 0 HB2 PHE A 48 20.156 -25.575 -29.097 1.00 1.20 H new ATOM 0 HB3 PHE A 48 21.678 -24.958 -28.484 1.00 1.20 H new ATOM 0 HD1 PHE A 48 22.610 -25.786 -26.378 1.00 33.14 H new ATOM 0 HD2 PHE A 48 18.923 -27.297 -27.883 1.00 35.24 H new ATOM 0 HE1 PHE A 48 22.753 -27.681 -24.822 1.00 33.32 H new ATOM 0 HE2 PHE A 48 19.062 -29.193 -26.327 1.00 31.53 H new ATOM 0 HZ PHE A 48 20.976 -29.386 -24.789 1.00 70.54 H new ATOM 736 N SER A 49 18.398 -24.948 -25.978 1.00 52.23 N ATOM 737 CA SER A 49 17.100 -25.366 -25.461 1.00 61.13 C ATOM 738 C SER A 49 16.555 -24.343 -24.470 1.00 12.31 C ATOM 739 O SER A 49 16.937 -24.331 -23.300 1.00 11.32 O ATOM 740 CB SER A 49 17.213 -26.735 -24.788 1.00 30.20 C ATOM 741 OG SER A 49 17.043 -27.782 -25.728 1.00 51.44 O ATOM 0 H SER A 49 19.175 -25.090 -25.333 1.00 52.23 H new ATOM 0 HA SER A 49 16.408 -25.437 -26.300 1.00 61.13 H new ATOM 0 HB2 SER A 49 18.187 -26.828 -24.308 1.00 30.20 H new ATOM 0 HB3 SER A 49 16.461 -26.821 -24.003 1.00 30.20 H new ATOM 0 HG SER A 49 17.839 -27.844 -26.296 1.00 51.44 H new ATOM 747 N SER A 50 15.659 -23.485 -24.947 1.00 51.34 N ATOM 748 CA SER A 50 15.063 -22.454 -24.105 1.00 72.23 C ATOM 749 C SER A 50 14.037 -23.059 -23.151 1.00 50.52 C ATOM 750 O SER A 50 13.294 -23.970 -23.515 1.00 72.05 O ATOM 751 CB SER A 50 14.401 -21.379 -24.970 1.00 31.24 C ATOM 752 OG SER A 50 13.581 -21.961 -25.968 1.00 60.22 O ATOM 0 H SER A 50 15.330 -23.483 -25.912 1.00 51.34 H new ATOM 0 HA SER A 50 15.857 -21.997 -23.515 1.00 72.23 H new ATOM 0 HB2 SER A 50 13.802 -20.720 -24.341 1.00 31.24 H new ATOM 0 HB3 SER A 50 15.168 -20.762 -25.439 1.00 31.24 H new ATOM 0 HG SER A 50 13.168 -21.253 -26.506 1.00 60.22 H new ATOM 758 N LYS A 51 14.002 -22.544 -21.927 1.00 23.03 N ATOM 759 CA LYS A 51 13.068 -23.030 -20.918 1.00 41.02 C ATOM 760 C LYS A 51 11.827 -22.146 -20.856 1.00 14.03 C ATOM 761 O LYS A 51 11.894 -20.944 -21.114 1.00 43.10 O ATOM 762 CB LYS A 51 13.745 -23.075 -19.546 1.00 74.22 C ATOM 763 CG LYS A 51 12.793 -23.406 -18.410 1.00 22.45 C ATOM 764 CD LYS A 51 13.486 -23.322 -17.060 1.00 10.52 C ATOM 765 CE LYS A 51 13.866 -24.700 -16.541 1.00 14.14 C ATOM 766 NZ LYS A 51 15.062 -24.649 -15.655 1.00 52.11 N ATOM 0 H LYS A 51 14.610 -21.789 -21.609 1.00 23.03 H new ATOM 0 HA LYS A 51 12.761 -24.038 -21.198 1.00 41.02 H new ATOM 0 HB2 LYS A 51 14.543 -23.817 -19.568 1.00 74.22 H new ATOM 0 HB3 LYS A 51 14.212 -22.110 -19.348 1.00 74.22 H new ATOM 0 HG2 LYS A 51 11.948 -22.718 -18.430 1.00 22.45 H new ATOM 0 HG3 LYS A 51 12.391 -24.409 -18.552 1.00 22.45 H new ATOM 0 HD2 LYS A 51 14.381 -22.706 -17.147 1.00 10.52 H new ATOM 0 HD3 LYS A 51 12.829 -22.831 -16.343 1.00 10.52 H new ATOM 0 HE2 LYS A 51 13.026 -25.126 -15.993 1.00 14.14 H new ATOM 0 HE3 LYS A 51 14.066 -25.363 -17.383 1.00 14.14 H new ATOM 0 HZ1 LYS A 51 15.289 -25.608 -15.322 1.00 52.11 H new ATOM 0 HZ2 LYS A 51 15.871 -24.266 -16.185 1.00 52.11 H new ATOM 0 HZ3 LYS A 51 14.863 -24.037 -14.838 1.00 52.11 H new ATOM 780 N CYS A 52 10.694 -22.748 -20.510 1.00 32.32 N ATOM 781 CA CYS A 52 9.437 -22.016 -20.412 1.00 31.20 C ATOM 782 C CYS A 52 9.276 -21.394 -19.028 1.00 20.22 C ATOM 783 O CYS A 52 9.340 -22.087 -18.012 1.00 61.34 O ATOM 784 CB CYS A 52 8.257 -22.945 -20.706 1.00 22.21 C ATOM 785 SG CYS A 52 8.488 -23.998 -22.175 1.00 14.42 S ATOM 0 H CYS A 52 10.621 -23.742 -20.293 1.00 32.32 H new ATOM 0 HA CYS A 52 9.453 -21.215 -21.151 1.00 31.20 H new ATOM 0 HB2 CYS A 52 8.085 -23.582 -19.839 1.00 22.21 H new ATOM 0 HB3 CYS A 52 7.359 -22.342 -20.842 1.00 22.21 H new ATOM 790 N VAL A 53 9.066 -20.082 -18.996 1.00 5.14 N ATOM 791 CA VAL A 53 8.895 -19.366 -17.737 1.00 40.22 C ATOM 792 C VAL A 53 7.899 -18.221 -17.887 1.00 61.44 C ATOM 793 O VAL A 53 7.466 -17.902 -18.995 1.00 42.30 O ATOM 794 CB VAL A 53 10.234 -18.803 -17.225 1.00 10.40 C ATOM 795 CG1 VAL A 53 11.198 -19.932 -16.896 1.00 33.42 C ATOM 796 CG2 VAL A 53 10.840 -17.855 -18.250 1.00 31.54 C ATOM 0 H VAL A 53 9.010 -19.493 -19.827 1.00 5.14 H new ATOM 0 HA VAL A 53 8.511 -20.085 -17.013 1.00 40.22 H new ATOM 0 HB VAL A 53 10.045 -18.241 -16.310 1.00 10.40 H new ATOM 0 HG11 VAL A 53 12.138 -19.514 -16.536 1.00 33.42 H new ATOM 0 HG12 VAL A 53 10.764 -20.568 -16.124 1.00 33.42 H new ATOM 0 HG13 VAL A 53 11.384 -20.525 -17.792 1.00 33.42 H new ATOM 0 HG21 VAL A 53 11.786 -17.466 -17.872 1.00 31.54 H new ATOM 0 HG22 VAL A 53 11.015 -18.391 -19.183 1.00 31.54 H new ATOM 0 HG23 VAL A 53 10.154 -17.027 -18.430 1.00 31.54 H new ATOM 806 N CYS A 54 7.539 -17.607 -16.766 1.00 1.43 N ATOM 807 CA CYS A 54 6.594 -16.497 -16.771 1.00 12.31 C ATOM 808 C CYS A 54 7.277 -15.202 -17.203 1.00 71.41 C ATOM 809 O CYS A 54 8.372 -14.882 -16.741 1.00 61.21 O ATOM 810 CB CYS A 54 5.974 -16.321 -15.383 1.00 44.51 C ATOM 811 SG CYS A 54 4.912 -17.706 -14.862 1.00 1.43 S ATOM 0 H CYS A 54 7.888 -17.859 -15.841 1.00 1.43 H new ATOM 0 HA CYS A 54 5.806 -16.728 -17.487 1.00 12.31 H new ATOM 0 HB2 CYS A 54 6.774 -16.196 -14.653 1.00 44.51 H new ATOM 0 HB3 CYS A 54 5.386 -15.403 -15.373 1.00 44.51 H new ATOM 816 N ARG A 55 6.622 -14.463 -18.092 1.00 0.40 N ATOM 817 CA ARG A 55 7.166 -13.204 -18.587 1.00 50.14 C ATOM 818 C ARG A 55 6.062 -12.164 -18.757 1.00 4.13 C ATOM 819 O ARG A 55 4.902 -12.507 -18.983 1.00 13.14 O ATOM 820 CB ARG A 55 7.883 -13.423 -19.921 1.00 24.54 C ATOM 821 CG ARG A 55 9.099 -14.329 -19.816 1.00 24.41 C ATOM 822 CD ARG A 55 10.261 -13.626 -19.131 1.00 34.23 C ATOM 823 NE ARG A 55 11.204 -13.062 -20.093 1.00 33.32 N ATOM 824 CZ ARG A 55 12.428 -12.658 -19.772 1.00 34.03 C ATOM 825 NH1 ARG A 55 12.854 -12.755 -18.520 1.00 65.22 N ATOM 826 NH2 ARG A 55 13.227 -12.156 -20.704 1.00 5.34 N ATOM 0 H ARG A 55 5.714 -14.714 -18.484 1.00 0.40 H new ATOM 0 HA ARG A 55 7.882 -12.833 -17.853 1.00 50.14 H new ATOM 0 HB2 ARG A 55 7.181 -13.853 -20.635 1.00 24.54 H new ATOM 0 HB3 ARG A 55 8.193 -12.457 -20.320 1.00 24.54 H new ATOM 0 HG2 ARG A 55 8.837 -15.228 -19.259 1.00 24.41 H new ATOM 0 HG3 ARG A 55 9.403 -14.649 -20.813 1.00 24.41 H new ATOM 0 HD2 ARG A 55 9.877 -12.831 -18.491 1.00 34.23 H new ATOM 0 HD3 ARG A 55 10.782 -14.332 -18.485 1.00 34.23 H new ATOM 0 HE ARG A 55 10.906 -12.973 -21.065 1.00 33.32 H new ATOM 0 HH11 ARG A 55 12.241 -13.140 -17.801 1.00 65.22 H new ATOM 0 HH12 ARG A 55 13.794 -12.444 -18.276 1.00 65.22 H new ATOM 0 HH21 ARG A 55 12.902 -12.080 -21.668 1.00 5.34 H new ATOM 0 HH22 ARG A 55 14.167 -11.846 -20.457 1.00 5.34 H new ATOM 840 N ASP A 56 6.432 -10.893 -18.645 1.00 44.15 N ATOM 841 CA ASP A 56 5.474 -9.802 -18.786 1.00 64.55 C ATOM 842 C ASP A 56 4.968 -9.706 -20.222 1.00 63.13 C ATOM 843 O ASP A 56 5.746 -9.788 -21.173 1.00 3.02 O ATOM 844 CB ASP A 56 6.113 -8.477 -18.368 1.00 34.15 C ATOM 845 CG ASP A 56 7.228 -8.051 -19.302 1.00 13.41 C ATOM 846 OD1 ASP A 56 8.336 -8.616 -19.199 1.00 2.11 O ATOM 847 OD2 ASP A 56 6.992 -7.151 -20.136 1.00 1.24 O ATOM 0 H ASP A 56 7.388 -10.593 -18.457 1.00 44.15 H new ATOM 0 HA ASP A 56 4.626 -10.009 -18.134 1.00 64.55 H new ATOM 0 HB2 ASP A 56 5.348 -7.701 -18.342 1.00 34.15 H new ATOM 0 HB3 ASP A 56 6.507 -8.570 -17.356 1.00 34.15 H new ATOM 852 N VAL A 57 3.659 -9.533 -20.373 1.00 11.35 N ATOM 853 CA VAL A 57 3.048 -9.425 -21.692 1.00 64.42 C ATOM 854 C VAL A 57 2.107 -8.229 -21.766 1.00 55.13 C ATOM 855 O VAL A 57 1.454 -7.877 -20.783 1.00 62.54 O ATOM 856 CB VAL A 57 2.268 -10.703 -22.055 1.00 14.40 C ATOM 857 CG1 VAL A 57 3.210 -11.892 -22.162 1.00 74.11 C ATOM 858 CG2 VAL A 57 1.175 -10.968 -21.030 1.00 41.23 C ATOM 0 H VAL A 57 3.001 -9.465 -19.597 1.00 11.35 H new ATOM 0 HA VAL A 57 3.860 -9.288 -22.407 1.00 64.42 H new ATOM 0 HB VAL A 57 1.796 -10.557 -23.027 1.00 14.40 H new ATOM 0 HG11 VAL A 57 2.641 -12.785 -22.419 1.00 74.11 H new ATOM 0 HG12 VAL A 57 3.952 -11.699 -22.937 1.00 74.11 H new ATOM 0 HG13 VAL A 57 3.713 -12.045 -21.207 1.00 74.11 H new ATOM 0 HG21 VAL A 57 0.634 -11.874 -21.301 1.00 41.23 H new ATOM 0 HG22 VAL A 57 1.623 -11.094 -20.045 1.00 41.23 H new ATOM 0 HG23 VAL A 57 0.484 -10.125 -21.009 1.00 41.23 H new TER 868 VAL A 57