USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 304 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 2 SER OG : rot 180:sc= -0.142 USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0664 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.119 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc=-0.00204 (180deg=-0.18) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 152:sc= -0.0118 (180deg=-0.788) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 51:sc= 0.262 USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= -0.156 (180deg=-0.759) USER MOD Single : A 39 SER OG : rot 47:sc= 0.984 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -58:sc= 0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.210 11.780 15.999 1.00 0.00 N ATOM 2 CA GLY A 1 -6.922 12.287 16.435 1.00 0.00 C ATOM 3 C GLY A 1 -6.877 13.802 16.468 1.00 0.00 C ATOM 4 O GLY A 1 -7.711 14.468 15.855 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.690 11.319 16.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.794 12.568 15.652 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.070 11.089 15.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.699 11.898 17.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.144 11.918 15.766 1.00 0.00 H new ATOM 8 N SER A 2 -5.900 14.348 17.186 1.00 0.00 N ATOM 9 CA SER A 2 -5.752 15.794 17.301 1.00 0.00 C ATOM 10 C SER A 2 -5.618 16.437 15.924 1.00 0.00 C ATOM 11 O SER A 2 -6.294 17.419 15.616 1.00 0.00 O ATOM 12 CB SER A 2 -4.532 16.137 18.157 1.00 0.00 C ATOM 13 OG SER A 2 -3.335 15.699 17.538 1.00 0.00 O ATOM 0 H SER A 2 -5.199 13.811 17.697 1.00 0.00 H new ATOM 0 HA SER A 2 -6.647 16.189 17.782 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.488 17.214 18.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.629 15.671 19.138 1.00 0.00 H new ATOM 0 HG SER A 2 -2.570 15.932 18.104 1.00 0.00 H new ATOM 19 N SER A 3 -4.740 15.876 15.098 1.00 0.00 N ATOM 20 CA SER A 3 -4.513 16.396 13.755 1.00 0.00 C ATOM 21 C SER A 3 -3.952 15.312 12.840 1.00 0.00 C ATOM 22 O SER A 3 -3.589 14.227 13.294 1.00 0.00 O ATOM 23 CB SER A 3 -3.553 17.587 13.802 1.00 0.00 C ATOM 24 OG SER A 3 -2.276 17.194 14.273 1.00 0.00 O ATOM 0 H SER A 3 -4.174 15.061 15.336 1.00 0.00 H new ATOM 0 HA SER A 3 -5.471 16.726 13.353 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.459 18.022 12.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.961 18.362 14.451 1.00 0.00 H new ATOM 0 HG SER A 3 -1.681 17.972 14.292 1.00 0.00 H new ATOM 30 N GLY A 4 -3.884 15.613 11.547 1.00 0.00 N ATOM 31 CA GLY A 4 -3.367 14.655 10.588 1.00 0.00 C ATOM 32 C GLY A 4 -2.851 15.319 9.327 1.00 0.00 C ATOM 33 O GLY A 4 -3.335 16.379 8.932 1.00 0.00 O ATOM 0 H GLY A 4 -4.178 16.504 11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.562 14.082 11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.153 13.947 10.327 1.00 0.00 H new ATOM 37 N SER A 5 -1.862 14.694 8.694 1.00 0.00 N ATOM 38 CA SER A 5 -1.276 15.234 7.473 1.00 0.00 C ATOM 39 C SER A 5 -1.257 14.182 6.368 1.00 0.00 C ATOM 40 O SER A 5 -0.948 13.015 6.612 1.00 0.00 O ATOM 41 CB SER A 5 0.146 15.732 7.742 1.00 0.00 C ATOM 42 OG SER A 5 0.945 14.711 8.312 1.00 0.00 O ATOM 0 H SER A 5 -1.451 13.814 9.007 1.00 0.00 H new ATOM 0 HA SER A 5 -1.891 16.071 7.144 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.597 16.074 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.113 16.590 8.414 1.00 0.00 H new ATOM 0 HG SER A 5 1.849 15.054 8.472 1.00 0.00 H new ATOM 48 N SER A 6 -1.590 14.603 5.152 1.00 0.00 N ATOM 49 CA SER A 6 -1.616 13.698 4.010 1.00 0.00 C ATOM 50 C SER A 6 -0.343 13.833 3.181 1.00 0.00 C ATOM 51 O SER A 6 0.399 14.805 3.315 1.00 0.00 O ATOM 52 CB SER A 6 -2.840 13.981 3.135 1.00 0.00 C ATOM 53 OG SER A 6 -4.041 13.769 3.856 1.00 0.00 O ATOM 0 H SER A 6 -1.846 15.566 4.933 1.00 0.00 H new ATOM 0 HA SER A 6 -1.677 12.678 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.804 15.009 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.820 13.336 2.257 1.00 0.00 H new ATOM 0 HG SER A 6 -4.808 13.958 3.276 1.00 0.00 H new ATOM 59 N GLY A 7 -0.096 12.848 2.322 1.00 0.00 N ATOM 60 CA GLY A 7 1.088 12.875 1.483 1.00 0.00 C ATOM 61 C GLY A 7 0.784 12.531 0.038 1.00 0.00 C ATOM 62 O GLY A 7 0.206 11.483 -0.250 1.00 0.00 O ATOM 0 H GLY A 7 -0.695 12.032 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.540 13.866 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.822 12.171 1.874 1.00 0.00 H new ATOM 66 N VAL A 8 1.171 13.418 -0.873 1.00 0.00 N ATOM 67 CA VAL A 8 0.935 13.204 -2.296 1.00 0.00 C ATOM 68 C VAL A 8 1.042 11.726 -2.654 1.00 0.00 C ATOM 69 O VAL A 8 2.094 11.109 -2.487 1.00 0.00 O ATOM 70 CB VAL A 8 1.932 14.002 -3.157 1.00 0.00 C ATOM 71 CG1 VAL A 8 1.691 13.741 -4.635 1.00 0.00 C ATOM 72 CG2 VAL A 8 1.832 15.488 -2.847 1.00 0.00 C ATOM 0 H VAL A 8 1.649 14.291 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.076 13.554 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 8 2.941 13.670 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.405 14.314 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.818 12.678 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.677 14.044 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.543 16.037 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.822 15.837 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.059 15.656 -1.794 1.00 0.00 H new ATOM 82 N LYS A 9 -0.055 11.162 -3.149 1.00 0.00 N ATOM 83 CA LYS A 9 -0.087 9.756 -3.534 1.00 0.00 C ATOM 84 C LYS A 9 -0.398 9.605 -5.020 1.00 0.00 C ATOM 85 O LYS A 9 -1.524 9.303 -5.415 1.00 0.00 O ATOM 86 CB LYS A 9 -1.129 9.002 -2.704 1.00 0.00 C ATOM 87 CG LYS A 9 -2.490 9.675 -2.681 1.00 0.00 C ATOM 88 CD LYS A 9 -2.595 10.681 -1.547 1.00 0.00 C ATOM 89 CE LYS A 9 -4.044 10.933 -1.157 1.00 0.00 C ATOM 90 NZ LYS A 9 -4.741 11.801 -2.146 1.00 0.00 N ATOM 0 H LYS A 9 -0.935 11.658 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 9 0.898 9.330 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.238 7.993 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.765 8.903 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.664 10.178 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.269 8.920 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.043 10.314 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.130 11.620 -1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.569 9.981 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.079 11.402 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.725 11.949 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.255 12.719 -2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.730 11.342 -3.079 1.00 0.00 H new ATOM 104 N PRO A 10 0.622 9.819 -5.864 1.00 0.00 N ATOM 105 CA PRO A 10 0.482 9.710 -7.319 1.00 0.00 C ATOM 106 C PRO A 10 0.277 8.270 -7.775 1.00 0.00 C ATOM 107 O PRO A 10 -0.184 8.021 -8.889 1.00 0.00 O ATOM 108 CB PRO A 10 1.812 10.254 -7.845 1.00 0.00 C ATOM 109 CG PRO A 10 2.779 10.030 -6.734 1.00 0.00 C ATOM 110 CD PRO A 10 1.992 10.182 -5.462 1.00 0.00 C ATOM 0 HA PRO A 10 -0.390 10.251 -7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.122 9.733 -8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.735 11.312 -8.096 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.226 9.038 -6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.595 10.751 -6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.367 9.526 -4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.042 11.201 -5.078 1.00 0.00 H new ATOM 118 N TYR A 11 0.623 7.325 -6.908 1.00 0.00 N ATOM 119 CA TYR A 11 0.478 5.908 -7.224 1.00 0.00 C ATOM 120 C TYR A 11 -0.442 5.218 -6.222 1.00 0.00 C ATOM 121 O TYR A 11 -0.178 5.211 -5.021 1.00 0.00 O ATOM 122 CB TYR A 11 1.847 5.224 -7.232 1.00 0.00 C ATOM 123 CG TYR A 11 2.900 5.987 -8.003 1.00 0.00 C ATOM 124 CD1 TYR A 11 2.952 5.929 -9.390 1.00 0.00 C ATOM 125 CD2 TYR A 11 3.845 6.764 -7.344 1.00 0.00 C ATOM 126 CE1 TYR A 11 3.914 6.623 -10.098 1.00 0.00 C ATOM 127 CE2 TYR A 11 4.809 7.463 -8.044 1.00 0.00 C ATOM 128 CZ TYR A 11 4.839 7.389 -9.421 1.00 0.00 C ATOM 129 OH TYR A 11 5.799 8.083 -10.122 1.00 0.00 O ATOM 0 H TYR A 11 1.006 7.514 -5.982 1.00 0.00 H new ATOM 0 HA TYR A 11 0.032 5.826 -8.215 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.185 5.093 -6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.744 4.228 -7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.228 5.331 -9.924 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.825 6.822 -6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.941 6.566 -11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.535 8.064 -7.516 1.00 0.00 H new ATOM 0 HH TYR A 11 6.371 8.573 -9.495 1.00 0.00 H new ATOM 139 N GLY A 12 -1.526 4.636 -6.727 1.00 0.00 N ATOM 140 CA GLY A 12 -2.470 3.950 -5.865 1.00 0.00 C ATOM 141 C GLY A 12 -3.109 2.754 -6.541 1.00 0.00 C ATOM 142 O GLY A 12 -3.803 2.897 -7.548 1.00 0.00 O ATOM 0 H GLY A 12 -1.767 4.628 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.959 3.622 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.248 4.648 -5.556 1.00 0.00 H new ATOM 146 N CYS A 13 -2.876 1.568 -5.987 1.00 0.00 N ATOM 147 CA CYS A 13 -3.432 0.341 -6.543 1.00 0.00 C ATOM 148 C CYS A 13 -4.941 0.280 -6.325 1.00 0.00 C ATOM 149 O CYS A 13 -5.413 0.239 -5.189 1.00 0.00 O ATOM 150 CB CYS A 13 -2.763 -0.880 -5.908 1.00 0.00 C ATOM 151 SG CYS A 13 -3.218 -2.464 -6.684 1.00 0.00 S ATOM 0 H CYS A 13 -2.305 1.432 -5.153 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.238 0.336 -7.616 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.681 -0.758 -5.963 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.026 -0.917 -4.851 1.00 0.00 H new ATOM 156 N SER A 14 -5.692 0.273 -7.422 1.00 0.00 N ATOM 157 CA SER A 14 -7.147 0.220 -7.351 1.00 0.00 C ATOM 158 C SER A 14 -7.624 -1.189 -7.011 1.00 0.00 C ATOM 159 O SER A 14 -8.579 -1.367 -6.256 1.00 0.00 O ATOM 160 CB SER A 14 -7.760 0.671 -8.678 1.00 0.00 C ATOM 161 OG SER A 14 -7.288 -0.121 -9.754 1.00 0.00 O ATOM 0 H SER A 14 -5.317 0.303 -8.370 1.00 0.00 H new ATOM 0 HA SER A 14 -7.472 0.896 -6.560 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.846 0.603 -8.622 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.515 1.718 -8.858 1.00 0.00 H new ATOM 0 HG SER A 14 -7.696 0.187 -10.590 1.00 0.00 H new ATOM 167 N GLU A 15 -6.950 -2.187 -7.575 1.00 0.00 N ATOM 168 CA GLU A 15 -7.305 -3.580 -7.332 1.00 0.00 C ATOM 169 C GLU A 15 -7.751 -3.785 -5.887 1.00 0.00 C ATOM 170 O GLU A 15 -8.889 -4.174 -5.626 1.00 0.00 O ATOM 171 CB GLU A 15 -6.119 -4.494 -7.646 1.00 0.00 C ATOM 172 CG GLU A 15 -5.811 -4.605 -9.130 1.00 0.00 C ATOM 173 CD GLU A 15 -6.891 -5.342 -9.896 1.00 0.00 C ATOM 174 OE1 GLU A 15 -7.570 -6.197 -9.289 1.00 0.00 O ATOM 175 OE2 GLU A 15 -7.058 -5.065 -11.102 1.00 0.00 O ATOM 0 H GLU A 15 -6.156 -2.057 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.136 -3.836 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.236 -4.120 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.324 -5.489 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.692 -3.606 -9.548 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.860 -5.121 -9.262 1.00 0.00 H new ATOM 182 N CYS A 16 -6.845 -3.520 -4.952 1.00 0.00 N ATOM 183 CA CYS A 16 -7.142 -3.675 -3.533 1.00 0.00 C ATOM 184 C CYS A 16 -7.426 -2.323 -2.886 1.00 0.00 C ATOM 185 O CYS A 16 -8.336 -2.193 -2.069 1.00 0.00 O ATOM 186 CB CYS A 16 -5.975 -4.360 -2.818 1.00 0.00 C ATOM 187 SG CYS A 16 -4.370 -3.531 -3.053 1.00 0.00 S ATOM 0 H CYS A 16 -5.898 -3.197 -5.152 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.032 -4.297 -3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.194 -4.408 -1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.897 -5.387 -3.174 1.00 0.00 H new ATOM 192 N GLY A 17 -6.640 -1.317 -3.259 1.00 0.00 N ATOM 193 CA GLY A 17 -6.823 0.012 -2.705 1.00 0.00 C ATOM 194 C GLY A 17 -5.677 0.427 -1.804 1.00 0.00 C ATOM 195 O GLY A 17 -5.877 0.709 -0.622 1.00 0.00 O ATOM 0 H GLY A 17 -5.880 -1.399 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.920 0.731 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.755 0.042 -2.140 1.00 0.00 H new ATOM 199 N LYS A 18 -4.472 0.465 -2.361 1.00 0.00 N ATOM 200 CA LYS A 18 -3.288 0.849 -1.601 1.00 0.00 C ATOM 201 C LYS A 18 -2.555 2.001 -2.280 1.00 0.00 C ATOM 202 O LYS A 18 -2.918 2.418 -3.379 1.00 0.00 O ATOM 203 CB LYS A 18 -2.347 -0.348 -1.445 1.00 0.00 C ATOM 204 CG LYS A 18 -2.827 -1.372 -0.432 1.00 0.00 C ATOM 205 CD LYS A 18 -1.695 -2.276 0.026 1.00 0.00 C ATOM 206 CE LYS A 18 -0.804 -1.582 1.044 1.00 0.00 C ATOM 207 NZ LYS A 18 0.561 -2.177 1.085 1.00 0.00 N ATOM 0 H LYS A 18 -4.289 0.234 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.612 1.180 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.229 -0.835 -2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.362 0.011 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.256 -0.860 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.621 -1.976 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.108 -3.185 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.099 -2.578 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.731 -0.522 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.260 -1.651 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.137 -1.676 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.494 -3.182 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.006 -2.089 0.149 1.00 0.00 H new ATOM 221 N ALA A 19 -1.521 2.510 -1.619 1.00 0.00 N ATOM 222 CA ALA A 19 -0.734 3.611 -2.161 1.00 0.00 C ATOM 223 C ALA A 19 0.750 3.424 -1.865 1.00 0.00 C ATOM 224 O ALA A 19 1.127 2.618 -1.014 1.00 0.00 O ATOM 225 CB ALA A 19 -1.224 4.937 -1.596 1.00 0.00 C ATOM 0 H ALA A 19 -1.208 2.177 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.863 3.619 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.628 5.751 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.271 5.082 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.125 4.929 -0.511 1.00 0.00 H new ATOM 231 N PHE A 20 1.588 4.173 -2.573 1.00 0.00 N ATOM 232 CA PHE A 20 3.032 4.088 -2.388 1.00 0.00 C ATOM 233 C PHE A 20 3.711 5.393 -2.795 1.00 0.00 C ATOM 234 O PHE A 20 3.668 5.790 -3.960 1.00 0.00 O ATOM 235 CB PHE A 20 3.605 2.926 -3.202 1.00 0.00 C ATOM 236 CG PHE A 20 2.762 1.684 -3.149 1.00 0.00 C ATOM 237 CD1 PHE A 20 1.696 1.517 -4.017 1.00 0.00 C ATOM 238 CD2 PHE A 20 3.037 0.684 -2.230 1.00 0.00 C ATOM 239 CE1 PHE A 20 0.918 0.375 -3.971 1.00 0.00 C ATOM 240 CE2 PHE A 20 2.263 -0.461 -2.180 1.00 0.00 C ATOM 241 CZ PHE A 20 1.202 -0.615 -3.050 1.00 0.00 C ATOM 0 H PHE A 20 1.292 4.846 -3.280 1.00 0.00 H new ATOM 0 HA PHE A 20 3.227 3.912 -1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.712 3.239 -4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.604 2.693 -2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.470 2.288 -4.739 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.864 0.800 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.090 0.257 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.488 -1.234 -1.461 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.595 -1.508 -3.011 1.00 0.00 H new ATOM 251 N ARG A 21 4.336 6.055 -1.827 1.00 0.00 N ATOM 252 CA ARG A 21 5.022 7.315 -2.084 1.00 0.00 C ATOM 253 C ARG A 21 5.892 7.216 -3.333 1.00 0.00 C ATOM 254 O ARG A 21 6.024 8.180 -4.088 1.00 0.00 O ATOM 255 CB ARG A 21 5.882 7.707 -0.880 1.00 0.00 C ATOM 256 CG ARG A 21 7.092 6.809 -0.679 1.00 0.00 C ATOM 257 CD ARG A 21 8.307 7.336 -1.428 1.00 0.00 C ATOM 258 NE ARG A 21 9.009 8.370 -0.673 1.00 0.00 N ATOM 259 CZ ARG A 21 9.849 8.110 0.323 1.00 0.00 C ATOM 260 NH1 ARG A 21 10.090 6.856 0.681 1.00 0.00 N ATOM 261 NH2 ARG A 21 10.451 9.105 0.962 1.00 0.00 N ATOM 0 H ARG A 21 4.381 5.740 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 21 4.267 8.084 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.220 8.736 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.267 7.681 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.321 6.738 0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.860 5.801 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.990 6.512 -1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.993 7.740 -2.390 1.00 0.00 H new ATOM 0 HE ARG A 21 8.846 9.345 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.630 6.088 0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.735 6.659 1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.269 10.071 0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.096 8.904 1.727 1.00 0.00 H new ATOM 275 N SER A 22 6.483 6.045 -3.545 1.00 0.00 N ATOM 276 CA SER A 22 7.344 5.821 -4.701 1.00 0.00 C ATOM 277 C SER A 22 6.689 4.860 -5.688 1.00 0.00 C ATOM 278 O SER A 22 5.601 4.341 -5.439 1.00 0.00 O ATOM 279 CB SER A 22 8.698 5.267 -4.255 1.00 0.00 C ATOM 280 OG SER A 22 9.621 6.314 -4.006 1.00 0.00 O ATOM 0 H SER A 22 6.382 5.236 -2.932 1.00 0.00 H new ATOM 0 HA SER A 22 7.497 6.778 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.570 4.669 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.094 4.604 -5.024 1.00 0.00 H new ATOM 0 HG SER A 22 10.478 5.934 -3.721 1.00 0.00 H new ATOM 286 N LYS A 23 7.360 4.628 -6.811 1.00 0.00 N ATOM 287 CA LYS A 23 6.846 3.728 -7.838 1.00 0.00 C ATOM 288 C LYS A 23 7.221 2.282 -7.532 1.00 0.00 C ATOM 289 O LYS A 23 6.353 1.416 -7.421 1.00 0.00 O ATOM 290 CB LYS A 23 7.388 4.127 -9.212 1.00 0.00 C ATOM 291 CG LYS A 23 7.059 3.129 -10.309 1.00 0.00 C ATOM 292 CD LYS A 23 7.398 3.680 -11.684 1.00 0.00 C ATOM 293 CE LYS A 23 8.876 3.512 -12.003 1.00 0.00 C ATOM 294 NZ LYS A 23 9.217 2.098 -12.324 1.00 0.00 N ATOM 0 H LYS A 23 8.261 5.051 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 23 5.759 3.809 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.982 5.101 -9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.470 4.240 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.612 2.205 -10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.999 2.878 -10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.801 3.169 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.133 4.736 -11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.140 4.150 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.471 3.845 -11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.174 2.055 -12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.183 1.527 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.532 1.723 -13.011 1.00 0.00 H new ATOM 308 N SER A 24 8.518 2.028 -7.395 1.00 0.00 N ATOM 309 CA SER A 24 9.008 0.686 -7.103 1.00 0.00 C ATOM 310 C SER A 24 8.097 -0.020 -6.104 1.00 0.00 C ATOM 311 O SER A 24 7.699 -1.166 -6.312 1.00 0.00 O ATOM 312 CB SER A 24 10.435 0.749 -6.553 1.00 0.00 C ATOM 313 OG SER A 24 10.500 1.566 -5.397 1.00 0.00 O ATOM 0 H SER A 24 9.249 2.734 -7.482 1.00 0.00 H new ATOM 0 HA SER A 24 9.009 0.117 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.780 -0.256 -6.311 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.106 1.141 -7.317 1.00 0.00 H new ATOM 0 HG SER A 24 11.421 1.589 -5.064 1.00 0.00 H new ATOM 319 N TYR A 25 7.771 0.673 -5.019 1.00 0.00 N ATOM 320 CA TYR A 25 6.908 0.113 -3.985 1.00 0.00 C ATOM 321 C TYR A 25 5.623 -0.443 -4.590 1.00 0.00 C ATOM 322 O TYR A 25 5.160 -1.520 -4.211 1.00 0.00 O ATOM 323 CB TYR A 25 6.573 1.178 -2.939 1.00 0.00 C ATOM 324 CG TYR A 25 7.557 1.230 -1.791 1.00 0.00 C ATOM 325 CD1 TYR A 25 7.842 0.094 -1.043 1.00 0.00 C ATOM 326 CD2 TYR A 25 8.200 2.414 -1.455 1.00 0.00 C ATOM 327 CE1 TYR A 25 8.739 0.137 0.007 1.00 0.00 C ATOM 328 CE2 TYR A 25 9.100 2.466 -0.408 1.00 0.00 C ATOM 329 CZ TYR A 25 9.366 1.324 0.320 1.00 0.00 C ATOM 330 OH TYR A 25 10.260 1.372 1.365 1.00 0.00 O ATOM 0 H TYR A 25 8.091 1.623 -4.832 1.00 0.00 H new ATOM 0 HA TYR A 25 7.445 -0.704 -3.503 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.541 2.154 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.576 0.986 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.354 -0.838 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.993 3.310 -2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.948 -0.755 0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.592 3.395 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 25 10.613 2.282 1.452 1.00 0.00 H new ATOM 340 N LEU A 26 5.052 0.298 -5.533 1.00 0.00 N ATOM 341 CA LEU A 26 3.820 -0.120 -6.193 1.00 0.00 C ATOM 342 C LEU A 26 4.009 -1.456 -6.903 1.00 0.00 C ATOM 343 O LEU A 26 3.275 -2.413 -6.651 1.00 0.00 O ATOM 344 CB LEU A 26 3.369 0.944 -7.195 1.00 0.00 C ATOM 345 CG LEU A 26 2.160 0.583 -8.059 1.00 0.00 C ATOM 346 CD1 LEU A 26 0.925 0.387 -7.193 1.00 0.00 C ATOM 347 CD2 LEU A 26 1.913 1.658 -9.107 1.00 0.00 C ATOM 0 H LEU A 26 5.422 1.191 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 26 3.051 -0.241 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.138 1.857 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.207 1.172 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 26 2.372 -0.355 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.075 0.131 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.104 -0.419 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.710 1.308 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.049 1.384 -9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.723 2.611 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.790 1.750 -9.747 1.00 0.00 H new ATOM 359 N ILE A 27 4.997 -1.515 -7.789 1.00 0.00 N ATOM 360 CA ILE A 27 5.284 -2.736 -8.532 1.00 0.00 C ATOM 361 C ILE A 27 5.404 -3.934 -7.597 1.00 0.00 C ATOM 362 O ILE A 27 4.609 -4.872 -7.668 1.00 0.00 O ATOM 363 CB ILE A 27 6.583 -2.605 -9.349 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.497 -1.407 -10.297 1.00 0.00 C ATOM 365 CG2 ILE A 27 6.851 -3.884 -10.128 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.838 -0.969 -10.842 1.00 0.00 C ATOM 0 H ILE A 27 5.612 -0.732 -8.010 1.00 0.00 H new ATOM 0 HA ILE A 27 4.449 -2.893 -9.214 1.00 0.00 H new ATOM 0 HB ILE A 27 7.412 -2.441 -8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.841 -1.660 -11.130 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.037 -0.570 -9.771 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.772 -3.775 -10.700 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.951 -4.719 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.022 -4.076 -10.809 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.700 -0.116 -11.506 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.491 -0.685 -10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.291 -1.791 -11.397 1.00 0.00 H new ATOM 378 N ILE A 28 6.402 -3.895 -6.720 1.00 0.00 N ATOM 379 CA ILE A 28 6.623 -4.977 -5.768 1.00 0.00 C ATOM 380 C ILE A 28 5.305 -5.476 -5.187 1.00 0.00 C ATOM 381 O ILE A 28 5.167 -6.655 -4.857 1.00 0.00 O ATOM 382 CB ILE A 28 7.544 -4.533 -4.616 1.00 0.00 C ATOM 383 CG1 ILE A 28 8.904 -4.093 -5.161 1.00 0.00 C ATOM 384 CG2 ILE A 28 7.711 -5.659 -3.607 1.00 0.00 C ATOM 385 CD1 ILE A 28 9.712 -3.271 -4.181 1.00 0.00 C ATOM 0 H ILE A 28 7.069 -3.127 -6.649 1.00 0.00 H new ATOM 0 HA ILE A 28 7.105 -5.787 -6.316 1.00 0.00 H new ATOM 0 HB ILE A 28 7.084 -3.684 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.477 -4.977 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.751 -3.512 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.364 -5.330 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.737 -5.929 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.151 -6.526 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.663 -2.995 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.159 -2.369 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.897 -3.857 -3.280 1.00 0.00 H new ATOM 397 N HIS A 29 4.338 -4.573 -5.065 1.00 0.00 N ATOM 398 CA HIS A 29 3.029 -4.922 -4.525 1.00 0.00 C ATOM 399 C HIS A 29 2.111 -5.449 -5.625 1.00 0.00 C ATOM 400 O HIS A 29 1.261 -6.304 -5.380 1.00 0.00 O ATOM 401 CB HIS A 29 2.391 -3.708 -3.851 1.00 0.00 C ATOM 402 CG HIS A 29 0.893 -3.744 -3.843 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.161 -4.402 -2.878 1.00 0.00 N ATOM 404 CD2 HIS A 29 -0.010 -3.198 -4.691 1.00 0.00 C ATOM 405 CE1 HIS A 29 -1.127 -4.260 -3.132 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.258 -3.533 -4.227 1.00 0.00 N ATOM 0 H HIS A 29 4.436 -3.594 -5.333 1.00 0.00 H new ATOM 0 HA HIS A 29 3.168 -5.708 -3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.750 -3.643 -2.824 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.722 -2.804 -4.362 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.553 -4.918 -2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.210 -2.609 -5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.936 -4.669 -2.544 1.00 0.00 H new ATOM 414 N MET A 30 2.290 -4.932 -6.836 1.00 0.00 N ATOM 415 CA MET A 30 1.478 -5.351 -7.973 1.00 0.00 C ATOM 416 C MET A 30 2.054 -6.607 -8.619 1.00 0.00 C ATOM 417 O MET A 30 1.710 -6.947 -9.751 1.00 0.00 O ATOM 418 CB MET A 30 1.390 -4.226 -9.006 1.00 0.00 C ATOM 419 CG MET A 30 0.750 -2.956 -8.469 1.00 0.00 C ATOM 420 SD MET A 30 -0.092 -2.007 -9.751 1.00 0.00 S ATOM 421 CE MET A 30 -1.542 -3.021 -10.025 1.00 0.00 C ATOM 0 H MET A 30 2.989 -4.223 -7.055 1.00 0.00 H new ATOM 0 HA MET A 30 0.476 -5.579 -7.608 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.393 -3.994 -9.365 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.817 -4.576 -9.865 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.037 -3.216 -7.687 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.517 -2.335 -8.007 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.364 -2.394 -10.371 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.320 -3.777 -10.778 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.826 -3.509 -9.093 1.00 0.00 H new ATOM 431 N ARG A 31 2.931 -7.291 -7.892 1.00 0.00 N ATOM 432 CA ARG A 31 3.556 -8.509 -8.396 1.00 0.00 C ATOM 433 C ARG A 31 2.706 -9.732 -8.065 1.00 0.00 C ATOM 434 O ARG A 31 2.596 -10.661 -8.866 1.00 0.00 O ATOM 435 CB ARG A 31 4.956 -8.672 -7.803 1.00 0.00 C ATOM 436 CG ARG A 31 4.960 -9.264 -6.403 1.00 0.00 C ATOM 437 CD ARG A 31 6.376 -9.447 -5.879 1.00 0.00 C ATOM 438 NE ARG A 31 6.928 -10.751 -6.237 1.00 0.00 N ATOM 439 CZ ARG A 31 6.701 -11.860 -5.543 1.00 0.00 C ATOM 440 NH1 ARG A 31 5.936 -11.824 -4.461 1.00 0.00 N ATOM 441 NH2 ARG A 31 7.238 -13.009 -5.932 1.00 0.00 N ATOM 0 H ARG A 31 3.225 -7.023 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 31 3.636 -8.425 -9.480 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.547 -9.310 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.446 -7.699 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.403 -8.612 -5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.447 -10.226 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.015 -8.660 -6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.378 -9.338 -4.794 1.00 0.00 H new ATOM 0 HE ARG A 31 7.520 -10.813 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.520 -10.943 -4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.763 -12.678 -3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.826 -13.041 -6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.063 -13.860 -5.398 1.00 0.00 H new ATOM 455 N THR A 32 2.107 -9.727 -6.878 1.00 0.00 N ATOM 456 CA THR A 32 1.269 -10.836 -6.440 1.00 0.00 C ATOM 457 C THR A 32 -0.105 -10.780 -7.097 1.00 0.00 C ATOM 458 O THR A 32 -0.757 -11.808 -7.286 1.00 0.00 O ATOM 459 CB THR A 32 1.094 -10.838 -4.910 1.00 0.00 C ATOM 460 OG1 THR A 32 0.213 -11.897 -4.518 1.00 0.00 O ATOM 461 CG2 THR A 32 0.541 -9.506 -4.427 1.00 0.00 C ATOM 0 H THR A 32 2.187 -8.967 -6.203 1.00 0.00 H new ATOM 0 HA THR A 32 1.776 -11.753 -6.741 1.00 0.00 H new ATOM 0 HB THR A 32 2.072 -10.994 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.109 -11.892 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.426 -9.531 -3.343 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.229 -8.706 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.429 -9.325 -4.891 1.00 0.00 H new ATOM 469 N HIS A 33 -0.541 -9.573 -7.444 1.00 0.00 N ATOM 470 CA HIS A 33 -1.839 -9.383 -8.082 1.00 0.00 C ATOM 471 C HIS A 33 -1.929 -10.182 -9.379 1.00 0.00 C ATOM 472 O HIS A 33 -2.863 -10.959 -9.579 1.00 0.00 O ATOM 473 CB HIS A 33 -2.080 -7.900 -8.365 1.00 0.00 C ATOM 474 CG HIS A 33 -2.609 -7.143 -7.186 1.00 0.00 C ATOM 475 ND1 HIS A 33 -3.509 -7.680 -6.289 1.00 0.00 N ATOM 476 CD2 HIS A 33 -2.358 -5.884 -6.757 1.00 0.00 C ATOM 477 CE1 HIS A 33 -3.790 -6.783 -5.361 1.00 0.00 C ATOM 478 NE2 HIS A 33 -3.104 -5.685 -5.621 1.00 0.00 N ATOM 0 H HIS A 33 -0.015 -8.712 -7.294 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.608 -9.744 -7.399 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.145 -7.444 -8.689 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.784 -7.806 -9.192 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.897 -8.622 -6.335 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.695 -5.169 -7.221 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.466 -6.924 -4.531 1.00 0.00 H new ATOM 486 N THR A 34 -0.952 -9.985 -10.259 1.00 0.00 N ATOM 487 CA THR A 34 -0.922 -10.684 -11.537 1.00 0.00 C ATOM 488 C THR A 34 0.083 -11.831 -11.513 1.00 0.00 C ATOM 489 O THR A 34 1.255 -11.648 -11.836 1.00 0.00 O ATOM 490 CB THR A 34 -0.566 -9.729 -12.692 1.00 0.00 C ATOM 491 OG1 THR A 34 0.580 -8.944 -12.343 1.00 0.00 O ATOM 492 CG2 THR A 34 -1.736 -8.812 -13.016 1.00 0.00 C ATOM 0 H THR A 34 -0.171 -9.347 -10.109 1.00 0.00 H new ATOM 0 HA THR A 34 -1.922 -11.084 -11.702 1.00 0.00 H new ATOM 0 HB THR A 34 -0.340 -10.329 -13.574 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.294 -9.533 -12.021 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.461 -8.147 -13.835 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.598 -9.412 -13.309 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.989 -8.220 -12.136 1.00 0.00 H new ATOM 500 N GLY A 35 -0.386 -13.014 -11.127 1.00 0.00 N ATOM 501 CA GLY A 35 0.485 -14.173 -11.069 1.00 0.00 C ATOM 502 C GLY A 35 1.050 -14.404 -9.681 1.00 0.00 C ATOM 503 O GLY A 35 1.668 -13.513 -9.100 1.00 0.00 O ATOM 0 H GLY A 35 -1.353 -13.190 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.070 -15.057 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.305 -14.043 -11.775 1.00 0.00 H new ATOM 507 N GLU A 36 0.837 -15.604 -9.149 1.00 0.00 N ATOM 508 CA GLU A 36 1.327 -15.947 -7.819 1.00 0.00 C ATOM 509 C GLU A 36 2.675 -16.658 -7.904 1.00 0.00 C ATOM 510 O GLU A 36 2.749 -17.834 -8.260 1.00 0.00 O ATOM 511 CB GLU A 36 0.316 -16.834 -7.091 1.00 0.00 C ATOM 512 CG GLU A 36 0.026 -18.142 -7.808 1.00 0.00 C ATOM 513 CD GLU A 36 -1.230 -18.821 -7.299 1.00 0.00 C ATOM 514 OE1 GLU A 36 -1.233 -19.263 -6.131 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.210 -18.910 -8.068 1.00 0.00 O ATOM 0 H GLU A 36 0.329 -16.354 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 36 1.457 -15.022 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.691 -17.053 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.616 -16.282 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.076 -17.951 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.874 -18.815 -7.684 1.00 0.00 H new ATOM 522 N LYS A 37 3.740 -15.934 -7.575 1.00 0.00 N ATOM 523 CA LYS A 37 5.086 -16.493 -7.612 1.00 0.00 C ATOM 524 C LYS A 37 5.201 -17.565 -8.692 1.00 0.00 C ATOM 525 O LYS A 37 5.605 -18.699 -8.434 1.00 0.00 O ATOM 526 CB LYS A 37 5.453 -17.086 -6.250 1.00 0.00 C ATOM 527 CG LYS A 37 4.364 -17.962 -5.655 1.00 0.00 C ATOM 528 CD LYS A 37 4.401 -19.367 -6.234 1.00 0.00 C ATOM 529 CE LYS A 37 3.692 -20.362 -5.328 1.00 0.00 C ATOM 530 NZ LYS A 37 4.328 -20.438 -3.983 1.00 0.00 N ATOM 0 H LYS A 37 3.697 -14.959 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 37 5.780 -15.687 -7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.365 -17.674 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.674 -16.274 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.485 -18.010 -4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.389 -17.514 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.930 -19.369 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.437 -19.676 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.646 -20.074 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.704 -21.348 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.157 -21.377 -3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.352 -20.281 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.920 -19.709 -3.364 1.00 0.00 H new ATOM 544 N PRO A 38 4.839 -17.200 -9.931 1.00 0.00 N ATOM 545 CA PRO A 38 4.894 -18.115 -11.074 1.00 0.00 C ATOM 546 C PRO A 38 6.326 -18.445 -11.484 1.00 0.00 C ATOM 547 O PRO A 38 6.959 -17.691 -12.223 1.00 0.00 O ATOM 548 CB PRO A 38 4.185 -17.338 -12.186 1.00 0.00 C ATOM 549 CG PRO A 38 4.355 -15.905 -11.814 1.00 0.00 C ATOM 550 CD PRO A 38 4.348 -15.864 -10.310 1.00 0.00 C ATOM 0 HA PRO A 38 4.434 -19.077 -10.848 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.626 -17.549 -13.160 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.131 -17.609 -12.248 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.289 -15.507 -12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.549 -15.297 -12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.994 -15.074 -9.926 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.348 -15.677 -9.918 1.00 0.00 H new ATOM 558 N SER A 39 6.830 -19.575 -10.999 1.00 0.00 N ATOM 559 CA SER A 39 8.188 -20.003 -11.313 1.00 0.00 C ATOM 560 C SER A 39 8.302 -20.420 -12.776 1.00 0.00 C ATOM 561 O SER A 39 8.231 -21.604 -13.103 1.00 0.00 O ATOM 562 CB SER A 39 8.602 -21.163 -10.406 1.00 0.00 C ATOM 563 OG SER A 39 7.769 -22.292 -10.609 1.00 0.00 O ATOM 0 H SER A 39 6.318 -20.211 -10.387 1.00 0.00 H new ATOM 0 HA SER A 39 8.857 -19.160 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.639 -21.432 -10.605 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.548 -20.850 -9.363 1.00 0.00 H new ATOM 0 HG SER A 39 7.669 -22.456 -11.570 1.00 0.00 H new ATOM 569 N GLY A 40 8.480 -19.437 -13.653 1.00 0.00 N ATOM 570 CA GLY A 40 8.601 -19.721 -15.071 1.00 0.00 C ATOM 571 C GLY A 40 7.668 -18.874 -15.914 1.00 0.00 C ATOM 572 O GLY A 40 6.559 -18.535 -15.501 1.00 0.00 O ATOM 0 H GLY A 40 8.543 -18.449 -13.407 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.630 -19.547 -15.387 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.388 -20.775 -15.247 1.00 0.00 H new ATOM 576 N PRO A 41 8.120 -18.517 -17.125 1.00 0.00 N ATOM 577 CA PRO A 41 7.333 -17.698 -18.053 1.00 0.00 C ATOM 578 C PRO A 41 6.132 -18.450 -18.615 1.00 0.00 C ATOM 579 O PRO A 41 5.339 -17.894 -19.374 1.00 0.00 O ATOM 580 CB PRO A 41 8.329 -17.371 -19.169 1.00 0.00 C ATOM 581 CG PRO A 41 9.322 -18.481 -19.128 1.00 0.00 C ATOM 582 CD PRO A 41 9.432 -18.884 -17.683 1.00 0.00 C ATOM 0 HA PRO A 41 6.914 -16.818 -17.565 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.834 -17.318 -20.139 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.807 -16.406 -19.003 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.996 -19.319 -19.743 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.287 -18.156 -19.517 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.629 -19.951 -17.577 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.244 -18.358 -17.180 1.00 0.00 H new ATOM 590 N SER A 42 6.003 -19.718 -18.236 1.00 0.00 N ATOM 591 CA SER A 42 4.900 -20.548 -18.705 1.00 0.00 C ATOM 592 C SER A 42 4.199 -21.231 -17.535 1.00 0.00 C ATOM 593 O SER A 42 4.665 -21.172 -16.397 1.00 0.00 O ATOM 594 CB SER A 42 5.408 -21.598 -19.694 1.00 0.00 C ATOM 595 OG SER A 42 6.067 -20.990 -20.790 1.00 0.00 O ATOM 0 H SER A 42 6.649 -20.193 -17.605 1.00 0.00 H new ATOM 0 HA SER A 42 4.181 -19.903 -19.210 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.092 -22.279 -19.187 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.572 -22.196 -20.055 1.00 0.00 H new ATOM 0 HG SER A 42 6.384 -21.683 -21.407 1.00 0.00 H new ATOM 601 N SER A 43 3.076 -21.881 -17.823 1.00 0.00 N ATOM 602 CA SER A 43 2.307 -22.573 -16.796 1.00 0.00 C ATOM 603 C SER A 43 1.729 -21.582 -15.790 1.00 0.00 C ATOM 604 O SER A 43 1.768 -21.812 -14.582 1.00 0.00 O ATOM 605 CB SER A 43 3.187 -23.596 -16.073 1.00 0.00 C ATOM 606 OG SER A 43 2.408 -24.446 -15.249 1.00 0.00 O ATOM 0 H SER A 43 2.678 -21.943 -18.760 1.00 0.00 H new ATOM 0 HA SER A 43 1.482 -23.093 -17.283 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.732 -24.193 -16.804 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.930 -23.078 -15.467 1.00 0.00 H new ATOM 0 HG SER A 43 1.907 -23.906 -14.603 1.00 0.00 H new ATOM 612 N GLY A 44 1.191 -20.478 -16.299 1.00 0.00 N ATOM 613 CA GLY A 44 0.613 -19.467 -15.433 1.00 0.00 C ATOM 614 C GLY A 44 -0.452 -20.032 -14.514 1.00 0.00 C ATOM 615 O GLY A 44 -0.801 -19.382 -13.530 1.00 0.00 O ATOM 0 H GLY A 44 1.145 -20.266 -17.296 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.402 -19.012 -14.834 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.179 -18.675 -16.043 1.00 0.00 H new TER 619 GLY A 44 HETATM 620 ZN ZN A 201 -3.159 -3.935 -4.845 1.00 0.00 ZN