USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 469 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 LYS N :NH3+ 137:sc= 0.0384 (180deg=-0.587) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 168:sc= -0.318 USER MOD Single : A 8 LYS NZ :NH3+ -123:sc= -0.0999 (180deg=-0.714) USER MOD Single : A 9 THR OG1 : rot -94:sc= 0.898 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0.123 (180deg=0.113) USER MOD Single : A 14 THR OG1 : rot -40:sc= 0.418 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.0232 K(o=0.023,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.011 (180deg=-0.0572) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.762 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 131:sc= 1.82 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 165:sc= -2.23 USER MOD Single : A 53 SER OG : rot 101:sc= 0.103 USER MOD Single : A 54 THR OG1 : rot 100:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.315 K(o=0.31,f=-3.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -34:sc= 0.374 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.631 6.936 10.081 1.00 0.00 N ATOM 2 CA LYS A 1 3.497 6.089 10.548 1.00 0.00 C ATOM 3 C LYS A 1 3.313 4.889 9.616 1.00 0.00 C ATOM 4 O LYS A 1 4.116 4.645 8.736 1.00 0.00 O ATOM 5 CB LYS A 1 2.269 6.999 10.495 1.00 0.00 C ATOM 6 CG LYS A 1 2.012 7.433 9.051 1.00 0.00 C ATOM 7 CD LYS A 1 0.596 7.999 8.935 1.00 0.00 C ATOM 8 CE LYS A 1 -0.083 7.428 7.685 1.00 0.00 C ATOM 9 NZ LYS A 1 -0.165 8.561 6.714 1.00 0.00 N ATOM 0 H1 LYS A 1 4.364 7.939 10.144 1.00 0.00 H new ATOM 0 H2 LYS A 1 5.464 6.761 10.679 1.00 0.00 H new ATOM 0 H3 LYS A 1 4.857 6.699 9.094 1.00 0.00 H new ATOM 0 HA LYS A 1 3.667 5.692 11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.398 6.474 10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.425 7.874 11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.742 8.185 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.133 6.584 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.018 7.745 9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.632 9.087 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 1 0.492 6.599 7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.075 7.042 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.620 8.235 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.725 9.333 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 0.793 8.904 6.500 1.00 0.00 H new ATOM 25 N ASP A 2 2.260 4.142 9.801 1.00 0.00 N ATOM 26 CA ASP A 2 2.018 2.961 8.927 1.00 0.00 C ATOM 27 C ASP A 2 0.613 3.039 8.325 1.00 0.00 C ATOM 28 O ASP A 2 -0.323 3.474 8.967 1.00 0.00 O ATOM 29 CB ASP A 2 2.135 1.752 9.854 1.00 0.00 C ATOM 30 CG ASP A 2 3.392 1.891 10.715 1.00 0.00 C ATOM 31 OD1 ASP A 2 3.399 2.749 11.582 1.00 0.00 O ATOM 32 OD2 ASP A 2 4.326 1.140 10.490 1.00 0.00 O ATOM 0 H ASP A 2 1.555 4.299 10.522 1.00 0.00 H new ATOM 0 HA ASP A 2 2.722 2.906 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.252 1.680 10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.182 0.834 9.268 1.00 0.00 H new ATOM 37 N GLY A 3 0.456 2.626 7.098 1.00 0.00 N ATOM 38 CA GLY A 3 -0.890 2.683 6.466 1.00 0.00 C ATOM 39 C GLY A 3 -0.904 1.820 5.203 1.00 0.00 C ATOM 40 O GLY A 3 0.100 1.264 4.805 1.00 0.00 O ATOM 0 H GLY A 3 1.199 2.253 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.647 2.331 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.142 3.714 6.217 1.00 0.00 H new ATOM 44 N TYR A 4 -2.039 1.706 4.572 1.00 0.00 N ATOM 45 CA TYR A 4 -2.133 0.883 3.333 1.00 0.00 C ATOM 46 C TYR A 4 -2.298 1.785 2.109 1.00 0.00 C ATOM 47 O TYR A 4 -3.194 2.603 2.046 1.00 0.00 O ATOM 48 CB TYR A 4 -3.383 0.022 3.523 1.00 0.00 C ATOM 49 CG TYR A 4 -3.094 -1.088 4.503 1.00 0.00 C ATOM 50 CD1 TYR A 4 -3.227 -0.859 5.878 1.00 0.00 C ATOM 51 CD2 TYR A 4 -2.699 -2.347 4.037 1.00 0.00 C ATOM 52 CE1 TYR A 4 -2.965 -1.890 6.787 1.00 0.00 C ATOM 53 CE2 TYR A 4 -2.436 -3.378 4.946 1.00 0.00 C ATOM 54 CZ TYR A 4 -2.568 -3.150 6.321 1.00 0.00 C ATOM 55 OH TYR A 4 -2.311 -4.167 7.217 1.00 0.00 O ATOM 0 H TYR A 4 -2.910 2.150 4.862 1.00 0.00 H new ATOM 0 HA TYR A 4 -1.238 0.282 3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -4.207 0.636 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.696 -0.397 2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.532 0.113 6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.597 -2.523 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.069 -1.714 7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.131 -4.350 4.587 1.00 0.00 H new ATOM 0 HH TYR A 4 -2.242 -5.018 6.735 1.00 0.00 H new ATOM 65 N LEU A 5 -1.448 1.638 1.130 1.00 0.00 N ATOM 66 CA LEU A 5 -1.573 2.483 -0.090 1.00 0.00 C ATOM 67 C LEU A 5 -2.705 1.952 -0.971 1.00 0.00 C ATOM 68 O LEU A 5 -2.867 0.760 -1.137 1.00 0.00 O ATOM 69 CB LEU A 5 -0.229 2.356 -0.808 1.00 0.00 C ATOM 70 CG LEU A 5 0.723 3.449 -0.317 1.00 0.00 C ATOM 71 CD1 LEU A 5 2.127 2.866 -0.151 1.00 0.00 C ATOM 72 CD2 LEU A 5 0.764 4.586 -1.341 1.00 0.00 C ATOM 0 H LEU A 5 -0.675 0.972 1.122 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.805 3.522 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.203 1.373 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.372 2.441 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 5 0.372 3.832 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.805 3.644 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.100 2.054 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.478 2.483 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.442 5.365 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.115 4.201 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.236 5.003 -1.462 1.00 0.00 H new ATOM 84 N VAL A 6 -3.491 2.825 -1.533 1.00 0.00 N ATOM 85 CA VAL A 6 -4.613 2.362 -2.398 1.00 0.00 C ATOM 86 C VAL A 6 -4.130 2.198 -3.838 1.00 0.00 C ATOM 87 O VAL A 6 -2.963 2.355 -4.135 1.00 0.00 O ATOM 88 CB VAL A 6 -5.671 3.464 -2.312 1.00 0.00 C ATOM 89 CG1 VAL A 6 -6.043 3.701 -0.850 1.00 0.00 C ATOM 90 CG2 VAL A 6 -5.113 4.758 -2.912 1.00 0.00 C ATOM 0 H VAL A 6 -3.407 3.837 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.007 1.397 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.557 3.159 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.797 4.486 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.442 2.781 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.156 4.005 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.867 5.542 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.226 5.063 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.848 4.590 -3.956 1.00 0.00 H new ATOM 100 N GLU A 7 -5.021 1.886 -4.735 1.00 0.00 N ATOM 101 CA GLU A 7 -4.616 1.714 -6.157 1.00 0.00 C ATOM 102 C GLU A 7 -4.860 3.011 -6.930 1.00 0.00 C ATOM 103 O GLU A 7 -5.413 3.960 -6.409 1.00 0.00 O ATOM 104 CB GLU A 7 -5.508 0.594 -6.693 1.00 0.00 C ATOM 105 CG GLU A 7 -4.794 -0.117 -7.844 1.00 0.00 C ATOM 106 CD GLU A 7 -5.343 0.391 -9.179 1.00 0.00 C ATOM 107 OE1 GLU A 7 -6.548 0.328 -9.362 1.00 0.00 O ATOM 108 OE2 GLU A 7 -4.550 0.834 -9.994 1.00 0.00 O ATOM 0 H GLU A 7 -6.013 1.742 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.558 1.473 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.736 -0.116 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.458 1.004 -7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.721 0.065 -7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.939 -1.194 -7.766 1.00 0.00 H new ATOM 115 N LYS A 8 -4.455 3.061 -8.167 1.00 0.00 N ATOM 116 CA LYS A 8 -4.668 4.297 -8.970 1.00 0.00 C ATOM 117 C LYS A 8 -6.148 4.688 -8.942 1.00 0.00 C ATOM 118 O LYS A 8 -6.493 5.853 -8.921 1.00 0.00 O ATOM 119 CB LYS A 8 -4.239 3.925 -10.389 1.00 0.00 C ATOM 120 CG LYS A 8 -4.336 5.155 -11.292 1.00 0.00 C ATOM 121 CD LYS A 8 -4.560 4.711 -12.738 1.00 0.00 C ATOM 122 CE LYS A 8 -5.182 5.860 -13.536 1.00 0.00 C ATOM 123 NZ LYS A 8 -6.599 5.921 -13.080 1.00 0.00 N ATOM 0 H LYS A 8 -3.986 2.300 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.104 5.147 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.217 3.545 -10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.874 3.127 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.156 5.795 -10.966 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.423 5.745 -11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.613 4.412 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.215 3.840 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.664 6.800 -13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.120 5.675 -14.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.232 5.816 -13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.779 5.153 -12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.777 6.837 -12.620 1.00 0.00 H new ATOM 137 N THR A 9 -7.024 3.720 -8.941 1.00 0.00 N ATOM 138 CA THR A 9 -8.481 4.033 -8.915 1.00 0.00 C ATOM 139 C THR A 9 -8.942 4.298 -7.479 1.00 0.00 C ATOM 140 O THR A 9 -9.886 5.026 -7.245 1.00 0.00 O ATOM 141 CB THR A 9 -9.161 2.785 -9.482 1.00 0.00 C ATOM 142 OG1 THR A 9 -8.507 1.625 -8.988 1.00 0.00 O ATOM 143 CG2 THR A 9 -9.077 2.806 -11.010 1.00 0.00 C ATOM 0 H THR A 9 -6.794 2.726 -8.957 1.00 0.00 H new ATOM 0 HA THR A 9 -8.724 4.926 -9.491 1.00 0.00 H new ATOM 0 HB THR A 9 -10.207 2.771 -9.177 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.821 1.340 -9.627 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.562 1.917 -11.413 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.578 3.696 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.031 2.820 -11.317 1.00 0.00 H new ATOM 151 N GLY A 10 -8.280 3.717 -6.516 1.00 0.00 N ATOM 152 CA GLY A 10 -8.680 3.942 -5.097 1.00 0.00 C ATOM 153 C GLY A 10 -9.016 2.603 -4.436 1.00 0.00 C ATOM 154 O GLY A 10 -9.765 2.544 -3.481 1.00 0.00 O ATOM 0 H GLY A 10 -7.481 3.097 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.872 4.433 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.543 4.606 -5.054 1.00 0.00 H new ATOM 158 N CYS A 11 -8.471 1.527 -4.933 1.00 0.00 N ATOM 159 CA CYS A 11 -8.764 0.197 -4.328 1.00 0.00 C ATOM 160 C CYS A 11 -7.504 -0.366 -3.662 1.00 0.00 C ATOM 161 O CYS A 11 -6.407 0.094 -3.903 1.00 0.00 O ATOM 162 CB CYS A 11 -9.200 -0.687 -5.499 1.00 0.00 C ATOM 163 SG CYS A 11 -10.399 0.207 -6.520 1.00 0.00 S ATOM 0 H CYS A 11 -7.836 1.511 -5.731 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.533 0.252 -3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.334 -0.967 -6.098 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.642 -1.611 -5.126 1.00 0.00 H new ATOM 168 N LYS A 12 -7.651 -1.353 -2.822 1.00 0.00 N ATOM 169 CA LYS A 12 -6.458 -1.935 -2.139 1.00 0.00 C ATOM 170 C LYS A 12 -5.646 -2.796 -3.112 1.00 0.00 C ATOM 171 O LYS A 12 -5.919 -2.843 -4.295 1.00 0.00 O ATOM 172 CB LYS A 12 -7.029 -2.801 -1.016 1.00 0.00 C ATOM 173 CG LYS A 12 -7.310 -1.933 0.212 1.00 0.00 C ATOM 174 CD LYS A 12 -8.295 -2.657 1.133 1.00 0.00 C ATOM 175 CE LYS A 12 -7.581 -3.820 1.830 1.00 0.00 C ATOM 176 NZ LYS A 12 -8.585 -4.388 2.776 1.00 0.00 N ATOM 0 H LYS A 12 -8.544 -1.782 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.786 -1.163 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.947 -3.286 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.325 -3.593 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.382 -1.726 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.722 -0.972 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.693 -1.964 1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.142 -3.029 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.252 -4.569 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.693 -3.476 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.165 -5.189 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.875 -3.656 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.417 -4.715 2.244 1.00 0.00 H new ATOM 190 N LYS A 13 -4.653 -3.482 -2.615 1.00 0.00 N ATOM 191 CA LYS A 13 -3.817 -4.351 -3.494 1.00 0.00 C ATOM 192 C LYS A 13 -3.638 -5.722 -2.833 1.00 0.00 C ATOM 193 O LYS A 13 -2.536 -6.183 -2.615 1.00 0.00 O ATOM 194 CB LYS A 13 -2.476 -3.624 -3.615 1.00 0.00 C ATOM 195 CG LYS A 13 -2.718 -2.169 -4.025 1.00 0.00 C ATOM 196 CD LYS A 13 -1.880 -1.837 -5.262 1.00 0.00 C ATOM 197 CE LYS A 13 -0.610 -1.097 -4.836 1.00 0.00 C ATOM 198 NZ LYS A 13 -0.813 0.306 -5.293 1.00 0.00 N ATOM 0 H LYS A 13 -4.383 -3.478 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.267 -4.520 -4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.943 -3.661 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.846 -4.121 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.776 -2.012 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.454 -1.501 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.619 -2.752 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.458 -1.222 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.468 -1.144 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.276 -1.537 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.050 0.858 -5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.023 0.312 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.608 0.729 -4.773 1.00 0.00 H new ATOM 212 N THR A 14 -4.725 -6.364 -2.502 1.00 0.00 N ATOM 213 CA THR A 14 -4.649 -7.699 -1.839 1.00 0.00 C ATOM 214 C THR A 14 -3.657 -8.622 -2.556 1.00 0.00 C ATOM 215 O THR A 14 -3.404 -8.490 -3.737 1.00 0.00 O ATOM 216 CB THR A 14 -6.071 -8.257 -1.937 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.913 -7.562 -1.027 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.069 -9.748 -1.595 1.00 0.00 C ATOM 0 H THR A 14 -5.671 -6.018 -2.664 1.00 0.00 H new ATOM 0 HA THR A 14 -4.298 -7.623 -0.810 1.00 0.00 H new ATOM 0 HB THR A 14 -6.441 -8.124 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.428 -7.400 -0.191 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.084 -10.139 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.425 -10.281 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.697 -9.888 -0.580 1.00 0.00 H new ATOM 226 N CYS A 15 -3.103 -9.566 -1.840 1.00 0.00 N ATOM 227 CA CYS A 15 -2.134 -10.520 -2.457 1.00 0.00 C ATOM 228 C CYS A 15 -2.295 -11.903 -1.820 1.00 0.00 C ATOM 229 O CYS A 15 -2.238 -12.049 -0.615 1.00 0.00 O ATOM 230 CB CYS A 15 -0.749 -9.947 -2.154 1.00 0.00 C ATOM 231 SG CYS A 15 -0.475 -9.922 -0.365 1.00 0.00 S ATOM 0 H CYS A 15 -3.282 -9.718 -0.847 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.292 -10.635 -3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.018 -10.549 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.666 -8.938 -2.558 1.00 0.00 H new ATOM 236 N TYR A 16 -2.499 -12.920 -2.614 1.00 0.00 N ATOM 237 CA TYR A 16 -2.666 -14.286 -2.038 1.00 0.00 C ATOM 238 C TYR A 16 -1.332 -14.786 -1.483 1.00 0.00 C ATOM 239 O TYR A 16 -1.268 -15.785 -0.795 1.00 0.00 O ATOM 240 CB TYR A 16 -3.131 -15.165 -3.199 1.00 0.00 C ATOM 241 CG TYR A 16 -4.570 -15.566 -2.974 1.00 0.00 C ATOM 242 CD1 TYR A 16 -5.490 -14.625 -2.496 1.00 0.00 C ATOM 243 CD2 TYR A 16 -4.983 -16.877 -3.240 1.00 0.00 C ATOM 244 CE1 TYR A 16 -6.823 -14.994 -2.284 1.00 0.00 C ATOM 245 CE2 TYR A 16 -6.318 -17.246 -3.028 1.00 0.00 C ATOM 246 CZ TYR A 16 -7.237 -16.304 -2.550 1.00 0.00 C ATOM 247 OH TYR A 16 -8.552 -16.668 -2.341 1.00 0.00 O ATOM 0 H TYR A 16 -2.557 -12.865 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.381 -14.300 -1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.035 -14.625 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.502 -16.052 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.171 -13.614 -2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.273 -17.603 -3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.532 -14.268 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.638 -18.257 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.671 -17.612 -2.576 1.00 0.00 H new ATOM 257 N LYS A 17 -0.267 -14.091 -1.769 1.00 0.00 N ATOM 258 CA LYS A 17 1.061 -14.519 -1.249 1.00 0.00 C ATOM 259 C LYS A 17 1.518 -13.554 -0.153 1.00 0.00 C ATOM 260 O LYS A 17 2.350 -12.695 -0.372 1.00 0.00 O ATOM 261 CB LYS A 17 2.001 -14.462 -2.454 1.00 0.00 C ATOM 262 CG LYS A 17 3.055 -15.563 -2.330 1.00 0.00 C ATOM 263 CD LYS A 17 2.471 -16.885 -2.830 1.00 0.00 C ATOM 264 CE LYS A 17 3.511 -17.997 -2.679 1.00 0.00 C ATOM 265 NZ LYS A 17 2.791 -19.244 -3.055 1.00 0.00 N ATOM 0 H LYS A 17 -0.259 -13.246 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 17 1.039 -15.516 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.435 -14.588 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.483 -13.486 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.940 -15.301 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.372 -15.663 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.573 -17.134 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.174 -16.791 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.370 -17.826 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.888 -18.050 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.437 -20.055 -2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.982 -19.384 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.450 -19.166 -4.034 1.00 0.00 H new ATOM 279 N LEU A 18 0.971 -13.688 1.026 1.00 0.00 N ATOM 280 CA LEU A 18 1.362 -12.781 2.141 1.00 0.00 C ATOM 281 C LEU A 18 2.837 -12.982 2.495 1.00 0.00 C ATOM 282 O LEU A 18 3.500 -13.850 1.964 1.00 0.00 O ATOM 283 CB LEU A 18 0.473 -13.193 3.316 1.00 0.00 C ATOM 284 CG LEU A 18 -0.956 -12.707 3.078 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.909 -13.457 4.011 1.00 0.00 C ATOM 286 CD2 LEU A 18 -1.037 -11.207 3.366 1.00 0.00 C ATOM 0 H LEU A 18 0.269 -14.388 1.264 1.00 0.00 H new ATOM 0 HA LEU A 18 1.237 -11.730 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.484 -14.277 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.861 -12.771 4.243 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.238 -12.894 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.929 -13.112 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.850 -14.526 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.628 -13.268 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.056 -10.859 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.757 -11.020 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.356 -10.672 2.704 1.00 0.00 H new ATOM 298 N GLY A 19 3.356 -12.187 3.390 1.00 0.00 N ATOM 299 CA GLY A 19 4.785 -12.337 3.776 1.00 0.00 C ATOM 300 C GLY A 19 5.644 -11.395 2.939 1.00 0.00 C ATOM 301 O GLY A 19 5.151 -10.490 2.296 1.00 0.00 O ATOM 0 H GLY A 19 2.852 -11.441 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.911 -12.115 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.106 -13.368 3.626 1.00 0.00 H new ATOM 305 N GLU A 20 6.929 -11.603 2.950 1.00 0.00 N ATOM 306 CA GLU A 20 7.845 -10.727 2.164 1.00 0.00 C ATOM 307 C GLU A 20 7.414 -10.665 0.695 1.00 0.00 C ATOM 308 O GLU A 20 7.956 -11.352 -0.148 1.00 0.00 O ATOM 309 CB GLU A 20 9.218 -11.392 2.284 1.00 0.00 C ATOM 310 CG GLU A 20 9.923 -10.892 3.546 1.00 0.00 C ATOM 311 CD GLU A 20 11.277 -11.591 3.682 1.00 0.00 C ATOM 312 OE1 GLU A 20 11.340 -12.776 3.398 1.00 0.00 O ATOM 313 OE2 GLU A 20 12.227 -10.931 4.067 1.00 0.00 O ATOM 0 H GLU A 20 7.390 -12.348 3.473 1.00 0.00 H new ATOM 0 HA GLU A 20 7.843 -9.701 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.106 -12.476 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.821 -11.165 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.062 -9.812 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.308 -11.093 4.423 1.00 0.00 H new ATOM 320 N ASN A 21 6.454 -9.839 0.377 1.00 0.00 N ATOM 321 CA ASN A 21 6.010 -9.732 -1.042 1.00 0.00 C ATOM 322 C ASN A 21 6.859 -8.682 -1.764 1.00 0.00 C ATOM 323 O ASN A 21 6.408 -7.587 -2.037 1.00 0.00 O ATOM 324 CB ASN A 21 4.542 -9.298 -0.979 1.00 0.00 C ATOM 325 CG ASN A 21 3.834 -9.710 -2.274 1.00 0.00 C ATOM 326 OD1 ASN A 21 4.321 -9.443 -3.354 1.00 0.00 O ATOM 327 ND2 ASN A 21 2.697 -10.354 -2.215 1.00 0.00 N ATOM 0 H ASN A 21 5.960 -9.236 1.035 1.00 0.00 H new ATOM 0 HA ASN A 21 6.121 -10.670 -1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.052 -9.758 -0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.476 -8.219 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.222 -10.630 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.285 -10.580 -1.310 1.00 0.00 H new ATOM 334 N ASP A 22 8.090 -9.013 -2.060 1.00 0.00 N ATOM 335 CA ASP A 22 8.993 -8.045 -2.754 1.00 0.00 C ATOM 336 C ASP A 22 8.213 -7.228 -3.786 1.00 0.00 C ATOM 337 O ASP A 22 8.351 -6.023 -3.867 1.00 0.00 O ATOM 338 CB ASP A 22 10.049 -8.913 -3.441 1.00 0.00 C ATOM 339 CG ASP A 22 11.391 -8.752 -2.723 1.00 0.00 C ATOM 340 OD1 ASP A 22 11.817 -7.621 -2.550 1.00 0.00 O ATOM 341 OD2 ASP A 22 11.970 -9.761 -2.356 1.00 0.00 O ATOM 0 H ASP A 22 8.511 -9.918 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 22 9.438 -7.330 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.741 -9.958 -3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.148 -8.624 -4.487 1.00 0.00 H new ATOM 346 N PHE A 23 7.389 -7.866 -4.571 1.00 0.00 N ATOM 347 CA PHE A 23 6.605 -7.108 -5.585 1.00 0.00 C ATOM 348 C PHE A 23 5.954 -5.891 -4.925 1.00 0.00 C ATOM 349 O PHE A 23 6.148 -4.769 -5.348 1.00 0.00 O ATOM 350 CB PHE A 23 5.548 -8.086 -6.099 1.00 0.00 C ATOM 351 CG PHE A 23 5.696 -8.226 -7.595 1.00 0.00 C ATOM 352 CD1 PHE A 23 6.692 -9.055 -8.124 1.00 0.00 C ATOM 353 CD2 PHE A 23 4.842 -7.522 -8.452 1.00 0.00 C ATOM 354 CE1 PHE A 23 6.834 -9.180 -9.511 1.00 0.00 C ATOM 355 CE2 PHE A 23 4.984 -7.648 -9.839 1.00 0.00 C ATOM 356 CZ PHE A 23 5.980 -8.476 -10.368 1.00 0.00 C ATOM 0 H PHE A 23 7.226 -8.873 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 23 7.225 -6.737 -6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.666 -9.056 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.549 -7.726 -5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.351 -9.598 -7.462 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.074 -6.882 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.602 -9.819 -9.920 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.325 -7.106 -10.501 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.090 -8.572 -11.438 1.00 0.00 H new ATOM 366 N CYS A 24 5.200 -6.096 -3.877 1.00 0.00 N ATOM 367 CA CYS A 24 4.568 -4.936 -3.189 1.00 0.00 C ATOM 368 C CYS A 24 5.668 -4.042 -2.616 1.00 0.00 C ATOM 369 O CYS A 24 5.578 -2.831 -2.641 1.00 0.00 O ATOM 370 CB CYS A 24 3.720 -5.536 -2.068 1.00 0.00 C ATOM 371 SG CYS A 24 2.909 -4.204 -1.146 1.00 0.00 S ATOM 0 H CYS A 24 4.997 -7.010 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 24 3.958 -4.329 -3.858 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.973 -6.212 -2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.347 -6.126 -1.400 1.00 0.00 H new ATOM 376 N ASN A 25 6.721 -4.638 -2.120 1.00 0.00 N ATOM 377 CA ASN A 25 7.843 -3.830 -1.566 1.00 0.00 C ATOM 378 C ASN A 25 8.403 -2.934 -2.671 1.00 0.00 C ATOM 379 O ASN A 25 8.752 -1.792 -2.447 1.00 0.00 O ATOM 380 CB ASN A 25 8.887 -4.856 -1.120 1.00 0.00 C ATOM 381 CG ASN A 25 9.912 -4.182 -0.207 1.00 0.00 C ATOM 382 OD1 ASN A 25 10.587 -3.256 -0.611 1.00 0.00 O ATOM 383 ND2 ASN A 25 10.058 -4.610 1.017 1.00 0.00 N ATOM 0 H ASN A 25 6.851 -5.649 -2.075 1.00 0.00 H new ATOM 0 HA ASN A 25 7.540 -3.186 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.402 -5.678 -0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.386 -5.284 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.739 -4.167 1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.491 -5.387 1.356 1.00 0.00 H new ATOM 390 N ARG A 26 8.477 -3.445 -3.872 1.00 0.00 N ATOM 391 CA ARG A 26 8.995 -2.627 -5.003 1.00 0.00 C ATOM 392 C ARG A 26 8.114 -1.391 -5.184 1.00 0.00 C ATOM 393 O ARG A 26 8.585 -0.270 -5.168 1.00 0.00 O ATOM 394 CB ARG A 26 8.899 -3.537 -6.228 1.00 0.00 C ATOM 395 CG ARG A 26 9.749 -2.960 -7.361 1.00 0.00 C ATOM 396 CD ARG A 26 10.976 -3.845 -7.580 1.00 0.00 C ATOM 397 NE ARG A 26 11.148 -3.913 -9.067 1.00 0.00 N ATOM 398 CZ ARG A 26 10.175 -4.300 -9.849 1.00 0.00 C ATOM 399 NH1 ARG A 26 9.075 -4.797 -9.346 1.00 0.00 N ATOM 400 NH2 ARG A 26 10.319 -4.232 -11.144 1.00 0.00 N ATOM 0 H ARG A 26 8.200 -4.396 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 26 10.015 -2.280 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.242 -4.540 -5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.861 -3.626 -6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.161 -2.902 -8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.059 -1.944 -7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.858 -3.421 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.827 -4.837 -7.155 1.00 0.00 H new ATOM 0 HE ARG A 26 12.044 -3.651 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.971 -4.885 -8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.321 -5.096 -9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.189 -3.878 -11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.562 -4.533 -11.758 1.00 0.00 H new ATOM 414 N GLU A 27 6.833 -1.587 -5.345 1.00 0.00 N ATOM 415 CA GLU A 27 5.921 -0.424 -5.513 1.00 0.00 C ATOM 416 C GLU A 27 6.244 0.630 -4.454 1.00 0.00 C ATOM 417 O GLU A 27 6.356 1.804 -4.746 1.00 0.00 O ATOM 418 CB GLU A 27 4.516 -0.991 -5.313 1.00 0.00 C ATOM 419 CG GLU A 27 4.315 -2.183 -6.251 1.00 0.00 C ATOM 420 CD GLU A 27 3.178 -1.883 -7.228 1.00 0.00 C ATOM 421 OE1 GLU A 27 2.086 -1.592 -6.768 1.00 0.00 O ATOM 422 OE2 GLU A 27 3.417 -1.951 -8.423 1.00 0.00 O ATOM 0 H GLU A 27 6.381 -2.501 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 27 6.020 0.057 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.381 -1.302 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.769 -0.224 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.235 -2.386 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.084 -3.078 -5.673 1.00 0.00 H new ATOM 429 N CYS A 28 6.416 0.216 -3.228 1.00 0.00 N ATOM 430 CA CYS A 28 6.758 1.194 -2.158 1.00 0.00 C ATOM 431 C CYS A 28 8.163 1.740 -2.416 1.00 0.00 C ATOM 432 O CYS A 28 8.432 2.910 -2.232 1.00 0.00 O ATOM 433 CB CYS A 28 6.720 0.394 -0.855 1.00 0.00 C ATOM 434 SG CYS A 28 6.033 1.425 0.464 1.00 0.00 S ATOM 0 H CYS A 28 6.335 -0.754 -2.922 1.00 0.00 H new ATOM 0 HA CYS A 28 6.074 2.042 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.114 -0.503 -0.984 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.724 0.064 -0.588 1.00 0.00 H new ATOM 439 N LYS A 29 9.054 0.896 -2.863 1.00 0.00 N ATOM 440 CA LYS A 29 10.441 1.353 -3.160 1.00 0.00 C ATOM 441 C LYS A 29 10.493 1.896 -4.591 1.00 0.00 C ATOM 442 O LYS A 29 11.287 1.476 -5.409 1.00 0.00 O ATOM 443 CB LYS A 29 11.308 0.100 -3.016 1.00 0.00 C ATOM 444 CG LYS A 29 12.693 0.359 -3.611 1.00 0.00 C ATOM 445 CD LYS A 29 13.737 -0.453 -2.845 1.00 0.00 C ATOM 446 CE LYS A 29 13.453 -1.948 -3.023 1.00 0.00 C ATOM 447 NZ LYS A 29 14.501 -2.644 -2.221 1.00 0.00 N ATOM 0 H LYS A 29 8.879 -0.094 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 29 10.782 2.149 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.399 -0.172 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.835 -0.741 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.705 0.084 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.931 1.421 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.737 -0.216 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.713 -0.191 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.454 -2.203 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.505 -2.236 -4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.369 -3.673 -2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.442 -2.388 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.423 -2.357 -1.225 1.00 0.00 H new ATOM 461 N TRP A 30 9.632 2.823 -4.896 1.00 0.00 N ATOM 462 CA TRP A 30 9.597 3.400 -6.266 1.00 0.00 C ATOM 463 C TRP A 30 8.463 4.434 -6.328 1.00 0.00 C ATOM 464 O TRP A 30 7.334 4.132 -6.657 1.00 0.00 O ATOM 465 CB TRP A 30 9.371 2.181 -7.184 1.00 0.00 C ATOM 466 CG TRP A 30 8.342 2.451 -8.241 1.00 0.00 C ATOM 467 CD1 TRP A 30 7.400 1.565 -8.639 1.00 0.00 C ATOM 468 CD2 TRP A 30 8.136 3.653 -9.039 1.00 0.00 C ATOM 469 NE1 TRP A 30 6.628 2.145 -9.628 1.00 0.00 N ATOM 470 CE2 TRP A 30 7.041 3.431 -9.909 1.00 0.00 C ATOM 471 CE3 TRP A 30 8.781 4.901 -9.093 1.00 0.00 C ATOM 472 CZ2 TRP A 30 6.604 4.410 -10.800 1.00 0.00 C ATOM 473 CZ3 TRP A 30 8.343 5.890 -9.989 1.00 0.00 C ATOM 474 CH2 TRP A 30 7.257 5.645 -10.841 1.00 0.00 C ATOM 0 H TRP A 30 8.945 3.209 -4.249 1.00 0.00 H new ATOM 0 HA TRP A 30 10.501 3.930 -6.566 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.313 1.906 -7.658 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.056 1.328 -6.582 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.272 0.567 -8.247 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.849 1.679 -10.093 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.619 5.101 -8.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.767 4.216 -11.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.846 6.845 -10.022 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.925 6.409 -11.528 1.00 0.00 H new ATOM 485 N LYS A 31 8.766 5.653 -5.975 1.00 0.00 N ATOM 486 CA LYS A 31 7.728 6.721 -5.975 1.00 0.00 C ATOM 487 C LYS A 31 8.347 8.040 -5.505 1.00 0.00 C ATOM 488 O LYS A 31 9.384 8.054 -4.874 1.00 0.00 O ATOM 489 CB LYS A 31 6.677 6.244 -4.971 1.00 0.00 C ATOM 490 CG LYS A 31 7.337 6.038 -3.604 1.00 0.00 C ATOM 491 CD LYS A 31 6.504 5.060 -2.773 1.00 0.00 C ATOM 492 CE LYS A 31 5.255 5.776 -2.247 1.00 0.00 C ATOM 493 NZ LYS A 31 4.153 4.775 -2.338 1.00 0.00 N ATOM 0 H LYS A 31 9.695 5.957 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 31 7.303 6.893 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.874 6.977 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.227 5.313 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.348 5.652 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.423 6.992 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.216 4.202 -3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.095 4.677 -1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.398 6.110 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.031 6.662 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.447 4.968 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.702 4.839 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.540 3.819 -2.205 1.00 0.00 H new ATOM 507 N HIS A 32 7.724 9.146 -5.799 1.00 0.00 N ATOM 508 CA HIS A 32 8.292 10.450 -5.356 1.00 0.00 C ATOM 509 C HIS A 32 7.621 10.907 -4.057 1.00 0.00 C ATOM 510 O HIS A 32 7.377 12.080 -3.852 1.00 0.00 O ATOM 511 CB HIS A 32 7.990 11.426 -6.492 1.00 0.00 C ATOM 512 CG HIS A 32 9.110 12.424 -6.594 1.00 0.00 C ATOM 513 ND1 HIS A 32 10.100 12.331 -7.560 1.00 0.00 N ATOM 514 CD2 HIS A 32 9.414 13.537 -5.851 1.00 0.00 C ATOM 515 CE1 HIS A 32 10.947 13.360 -7.372 1.00 0.00 C ATOM 516 NE2 HIS A 32 10.575 14.126 -6.344 1.00 0.00 N ATOM 0 H HIS A 32 6.851 9.205 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 32 9.361 10.385 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.881 10.886 -7.433 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.046 11.938 -6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.840 13.901 -5.012 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.821 13.544 -7.979 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.041 14.963 -5.995 1.00 0.00 H new ATOM 524 N ILE A 33 7.321 9.989 -3.178 1.00 0.00 N ATOM 525 CA ILE A 33 6.667 10.369 -1.892 1.00 0.00 C ATOM 526 C ILE A 33 7.627 10.143 -0.720 1.00 0.00 C ATOM 527 O ILE A 33 7.646 10.895 0.234 1.00 0.00 O ATOM 528 CB ILE A 33 5.456 9.445 -1.777 1.00 0.00 C ATOM 529 CG1 ILE A 33 4.374 9.900 -2.761 1.00 0.00 C ATOM 530 CG2 ILE A 33 4.904 9.499 -0.352 1.00 0.00 C ATOM 531 CD1 ILE A 33 4.575 9.195 -4.105 1.00 0.00 C ATOM 0 H ILE A 33 7.501 8.992 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 33 6.383 11.421 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 33 5.755 8.423 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.386 9.671 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.421 10.981 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.040 8.839 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.674 9.176 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.604 10.520 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.805 9.519 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.557 9.447 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.506 8.116 -3.964 1.00 0.00 H new ATOM 543 N GLY A 34 8.422 9.110 -0.783 1.00 0.00 N ATOM 544 CA GLY A 34 9.377 8.836 0.327 1.00 0.00 C ATOM 545 C GLY A 34 8.882 7.640 1.142 1.00 0.00 C ATOM 546 O GLY A 34 8.122 7.786 2.078 1.00 0.00 O ATOM 0 H GLY A 34 8.451 8.444 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.369 8.630 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.468 9.713 0.967 1.00 0.00 H new ATOM 550 N GLY A 35 9.307 6.456 0.792 1.00 0.00 N ATOM 551 CA GLY A 35 8.859 5.251 1.546 1.00 0.00 C ATOM 552 C GLY A 35 10.065 4.574 2.197 1.00 0.00 C ATOM 553 O GLY A 35 11.121 4.464 1.606 1.00 0.00 O ATOM 0 H GLY A 35 9.944 6.272 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.134 5.536 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.358 4.555 0.874 1.00 0.00 H new ATOM 557 N SER A 36 9.917 4.119 3.410 1.00 0.00 N ATOM 558 CA SER A 36 11.056 3.446 4.099 1.00 0.00 C ATOM 559 C SER A 36 11.020 1.939 3.825 1.00 0.00 C ATOM 560 O SER A 36 11.976 1.360 3.349 1.00 0.00 O ATOM 561 CB SER A 36 10.837 3.732 5.585 1.00 0.00 C ATOM 562 OG SER A 36 10.286 2.581 6.211 1.00 0.00 O ATOM 0 H SER A 36 9.057 4.184 3.955 1.00 0.00 H new ATOM 0 HA SER A 36 12.025 3.806 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.782 4.000 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.167 4.583 5.708 1.00 0.00 H new ATOM 0 HG SER A 36 10.146 2.762 7.164 1.00 0.00 H new ATOM 568 N TYR A 37 9.919 1.303 4.120 1.00 0.00 N ATOM 569 CA TYR A 37 9.809 -0.166 3.876 1.00 0.00 C ATOM 570 C TYR A 37 8.332 -0.560 3.780 1.00 0.00 C ATOM 571 O TYR A 37 7.469 0.113 4.308 1.00 0.00 O ATOM 572 CB TYR A 37 10.465 -0.820 5.092 1.00 0.00 C ATOM 573 CG TYR A 37 11.407 -1.909 4.636 1.00 0.00 C ATOM 574 CD1 TYR A 37 12.682 -1.580 4.158 1.00 0.00 C ATOM 575 CD2 TYR A 37 11.005 -3.249 4.692 1.00 0.00 C ATOM 576 CE1 TYR A 37 13.553 -2.591 3.736 1.00 0.00 C ATOM 577 CE2 TYR A 37 11.876 -4.260 4.270 1.00 0.00 C ATOM 578 CZ TYR A 37 13.150 -3.931 3.792 1.00 0.00 C ATOM 579 OH TYR A 37 14.009 -4.928 3.377 1.00 0.00 O ATOM 0 H TYR A 37 9.088 1.738 4.521 1.00 0.00 H new ATOM 0 HA TYR A 37 10.287 -0.476 2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.009 -0.073 5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.702 -1.237 5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 37 12.993 -0.547 4.115 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.022 -3.503 5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.536 -2.338 3.367 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.565 -5.293 4.313 1.00 0.00 H new ATOM 0 HH TYR A 37 13.574 -5.800 3.483 1.00 0.00 H new ATOM 589 N GLY A 38 8.025 -1.638 3.109 1.00 0.00 N ATOM 590 CA GLY A 38 6.596 -2.042 2.994 1.00 0.00 C ATOM 591 C GLY A 38 6.483 -3.473 2.468 1.00 0.00 C ATOM 592 O GLY A 38 7.362 -3.977 1.797 1.00 0.00 O ATOM 0 H GLY A 38 8.694 -2.249 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.112 -1.967 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.072 -1.360 2.324 1.00 0.00 H new ATOM 596 N TYR A 39 5.392 -4.122 2.766 1.00 0.00 N ATOM 597 CA TYR A 39 5.184 -5.517 2.289 1.00 0.00 C ATOM 598 C TYR A 39 3.691 -5.851 2.349 1.00 0.00 C ATOM 599 O TYR A 39 2.867 -4.986 2.566 1.00 0.00 O ATOM 600 CB TYR A 39 5.986 -6.396 3.252 1.00 0.00 C ATOM 601 CG TYR A 39 5.312 -6.423 4.603 1.00 0.00 C ATOM 602 CD1 TYR A 39 5.439 -5.331 5.469 1.00 0.00 C ATOM 603 CD2 TYR A 39 4.562 -7.540 4.990 1.00 0.00 C ATOM 604 CE1 TYR A 39 4.815 -5.355 6.722 1.00 0.00 C ATOM 605 CE2 TYR A 39 3.938 -7.565 6.243 1.00 0.00 C ATOM 606 CZ TYR A 39 4.065 -6.472 7.109 1.00 0.00 C ATOM 607 OH TYR A 39 3.449 -6.496 8.344 1.00 0.00 O ATOM 0 H TYR A 39 4.629 -3.741 3.325 1.00 0.00 H new ATOM 0 HA TYR A 39 5.508 -5.668 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.065 -7.408 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.001 -6.012 3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.018 -4.470 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.465 -8.383 4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.912 -4.512 7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.359 -8.427 6.541 1.00 0.00 H new ATOM 0 HH TYR A 39 2.514 -6.768 8.238 1.00 0.00 H new ATOM 617 N CYS A 40 3.328 -7.087 2.154 1.00 0.00 N ATOM 618 CA CYS A 40 1.879 -7.439 2.200 1.00 0.00 C ATOM 619 C CYS A 40 1.453 -7.792 3.627 1.00 0.00 C ATOM 620 O CYS A 40 2.119 -8.534 4.322 1.00 0.00 O ATOM 621 CB CYS A 40 1.729 -8.646 1.277 1.00 0.00 C ATOM 622 SG CYS A 40 0.583 -8.229 -0.060 1.00 0.00 S ATOM 0 H CYS A 40 3.963 -7.863 1.966 1.00 0.00 H new ATOM 0 HA CYS A 40 1.249 -6.607 1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.699 -8.929 0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.357 -9.504 1.837 1.00 0.00 H new ATOM 627 N TYR A 41 0.341 -7.266 4.064 1.00 0.00 N ATOM 628 CA TYR A 41 -0.142 -7.568 5.442 1.00 0.00 C ATOM 629 C TYR A 41 -1.670 -7.498 5.486 1.00 0.00 C ATOM 630 O TYR A 41 -2.264 -6.490 5.156 1.00 0.00 O ATOM 631 CB TYR A 41 0.469 -6.483 6.328 1.00 0.00 C ATOM 632 CG TYR A 41 0.322 -6.877 7.779 1.00 0.00 C ATOM 633 CD1 TYR A 41 0.829 -8.103 8.225 1.00 0.00 C ATOM 634 CD2 TYR A 41 -0.321 -6.016 8.677 1.00 0.00 C ATOM 635 CE1 TYR A 41 0.693 -8.469 9.569 1.00 0.00 C ATOM 636 CE2 TYR A 41 -0.457 -6.383 10.022 1.00 0.00 C ATOM 637 CZ TYR A 41 0.050 -7.610 10.468 1.00 0.00 C ATOM 638 OH TYR A 41 -0.084 -7.972 11.794 1.00 0.00 O ATOM 0 H TYR A 41 -0.255 -6.638 3.525 1.00 0.00 H new ATOM 0 HA TYR A 41 0.144 -8.567 5.771 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.522 -6.347 6.082 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.026 -5.529 6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.325 -8.766 7.532 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.712 -5.070 8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.084 -9.415 9.913 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.953 -5.720 10.715 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.553 -7.263 12.281 1.00 0.00 H new ATOM 648 N GLY A 42 -2.313 -8.560 5.886 1.00 0.00 N ATOM 649 CA GLY A 42 -3.800 -8.547 5.944 1.00 0.00 C ATOM 650 C GLY A 42 -4.361 -8.464 4.524 1.00 0.00 C ATOM 651 O GLY A 42 -5.323 -7.767 4.265 1.00 0.00 O ATOM 0 H GLY A 42 -1.873 -9.434 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.164 -9.447 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.145 -7.698 6.534 1.00 0.00 H new ATOM 655 N PHE A 43 -3.766 -9.168 3.599 1.00 0.00 N ATOM 656 CA PHE A 43 -4.263 -9.129 2.194 1.00 0.00 C ATOM 657 C PHE A 43 -4.296 -7.685 1.685 1.00 0.00 C ATOM 658 O PHE A 43 -5.347 -7.099 1.516 1.00 0.00 O ATOM 659 CB PHE A 43 -5.674 -9.714 2.258 1.00 0.00 C ATOM 660 CG PHE A 43 -5.588 -11.212 2.432 1.00 0.00 C ATOM 661 CD1 PHE A 43 -4.680 -11.956 1.666 1.00 0.00 C ATOM 662 CD2 PHE A 43 -6.413 -11.857 3.360 1.00 0.00 C ATOM 663 CE1 PHE A 43 -4.599 -13.344 1.830 1.00 0.00 C ATOM 664 CE2 PHE A 43 -6.331 -13.245 3.525 1.00 0.00 C ATOM 665 CZ PHE A 43 -5.425 -13.989 2.760 1.00 0.00 C ATOM 0 H PHE A 43 -2.957 -9.769 3.756 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.623 -9.688 1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.226 -9.271 3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.221 -9.473 1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.043 -11.459 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.113 -11.284 3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.900 -13.918 1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.967 -13.742 4.243 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.363 -15.060 2.887 1.00 0.00 H new ATOM 675 N GLY A 44 -3.151 -7.109 1.440 1.00 0.00 N ATOM 676 CA GLY A 44 -3.113 -5.705 0.943 1.00 0.00 C ATOM 677 C GLY A 44 -1.681 -5.174 1.030 1.00 0.00 C ATOM 678 O GLY A 44 -0.878 -5.653 1.806 1.00 0.00 O ATOM 0 H GLY A 44 -2.240 -7.551 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.466 -5.663 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.781 -5.080 1.535 1.00 0.00 H new ATOM 682 N CYS A 45 -1.352 -4.191 0.240 1.00 0.00 N ATOM 683 CA CYS A 45 0.031 -3.635 0.280 1.00 0.00 C ATOM 684 C CYS A 45 0.187 -2.691 1.475 1.00 0.00 C ATOM 685 O CYS A 45 -0.451 -1.660 1.553 1.00 0.00 O ATOM 686 CB CYS A 45 0.189 -2.874 -1.036 1.00 0.00 C ATOM 687 SG CYS A 45 1.207 -3.846 -2.176 1.00 0.00 S ATOM 0 H CYS A 45 -1.979 -3.748 -0.431 1.00 0.00 H new ATOM 0 HA CYS A 45 0.787 -4.412 0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.789 -2.683 -1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.652 -1.904 -0.854 1.00 0.00 H new ATOM 692 N TYR A 46 1.030 -3.038 2.410 1.00 0.00 N ATOM 693 CA TYR A 46 1.223 -2.161 3.602 1.00 0.00 C ATOM 694 C TYR A 46 2.572 -1.441 3.523 1.00 0.00 C ATOM 695 O TYR A 46 3.563 -2.008 3.106 1.00 0.00 O ATOM 696 CB TYR A 46 1.193 -3.112 4.797 1.00 0.00 C ATOM 697 CG TYR A 46 0.929 -2.325 6.057 1.00 0.00 C ATOM 698 CD1 TYR A 46 -0.162 -1.451 6.119 1.00 0.00 C ATOM 699 CD2 TYR A 46 1.777 -2.468 7.161 1.00 0.00 C ATOM 700 CE1 TYR A 46 -0.406 -0.719 7.287 1.00 0.00 C ATOM 701 CE2 TYR A 46 1.533 -1.736 8.329 1.00 0.00 C ATOM 702 CZ TYR A 46 0.441 -0.862 8.393 1.00 0.00 C ATOM 703 OH TYR A 46 0.201 -0.141 9.544 1.00 0.00 O ATOM 0 H TYR A 46 1.593 -3.889 2.401 1.00 0.00 H new ATOM 0 HA TYR A 46 0.458 -1.388 3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.418 -3.866 4.657 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.142 -3.642 4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.815 -1.341 5.266 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.619 -3.143 7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.248 -0.044 7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.187 -1.845 9.181 1.00 0.00 H new ATOM 0 HH TYR A 46 0.720 -0.522 10.283 1.00 0.00 H new ATOM 713 N CYS A 47 2.619 -0.196 3.918 1.00 0.00 N ATOM 714 CA CYS A 47 3.911 0.549 3.858 1.00 0.00 C ATOM 715 C CYS A 47 4.048 1.502 5.050 1.00 0.00 C ATOM 716 O CYS A 47 3.096 2.132 5.467 1.00 0.00 O ATOM 717 CB CYS A 47 3.848 1.338 2.551 1.00 0.00 C ATOM 718 SG CYS A 47 4.507 0.327 1.204 1.00 0.00 S ATOM 0 H CYS A 47 1.825 0.334 4.277 1.00 0.00 H new ATOM 0 HA CYS A 47 4.769 -0.122 3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.818 1.624 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.422 2.260 2.642 1.00 0.00 H new ATOM 723 N GLU A 48 5.229 1.617 5.596 1.00 0.00 N ATOM 724 CA GLU A 48 5.432 2.537 6.756 1.00 0.00 C ATOM 725 C GLU A 48 6.337 3.699 6.341 1.00 0.00 C ATOM 726 O GLU A 48 7.226 3.543 5.528 1.00 0.00 O ATOM 727 CB GLU A 48 6.117 1.699 7.842 1.00 0.00 C ATOM 728 CG GLU A 48 5.573 0.268 7.830 1.00 0.00 C ATOM 729 CD GLU A 48 6.325 -0.571 8.864 1.00 0.00 C ATOM 730 OE1 GLU A 48 7.394 -1.060 8.538 1.00 0.00 O ATOM 731 OE2 GLU A 48 5.820 -0.709 9.966 1.00 0.00 O ATOM 0 H GLU A 48 6.062 1.115 5.290 1.00 0.00 H new ATOM 0 HA GLU A 48 4.491 2.957 7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.194 1.687 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.949 2.151 8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.506 0.271 8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.689 -0.168 6.838 1.00 0.00 H new ATOM 738 N GLY A 49 6.125 4.860 6.894 1.00 0.00 N ATOM 739 CA GLY A 49 6.983 6.023 6.528 1.00 0.00 C ATOM 740 C GLY A 49 6.212 6.963 5.600 1.00 0.00 C ATOM 741 O GLY A 49 6.790 7.675 4.803 1.00 0.00 O ATOM 0 H GLY A 49 5.397 5.055 7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.291 6.557 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.892 5.676 6.036 1.00 0.00 H new ATOM 745 N LEU A 50 4.911 6.971 5.696 1.00 0.00 N ATOM 746 CA LEU A 50 4.102 7.866 4.819 1.00 0.00 C ATOM 747 C LEU A 50 3.859 9.212 5.522 1.00 0.00 C ATOM 748 O LEU A 50 3.188 9.258 6.533 1.00 0.00 O ATOM 749 CB LEU A 50 2.774 7.130 4.612 1.00 0.00 C ATOM 750 CG LEU A 50 3.032 5.636 4.403 1.00 0.00 C ATOM 751 CD1 LEU A 50 1.765 4.969 3.865 1.00 0.00 C ATOM 752 CD2 LEU A 50 4.171 5.449 3.398 1.00 0.00 C ATOM 0 H LEU A 50 4.372 6.396 6.344 1.00 0.00 H new ATOM 0 HA LEU A 50 4.603 8.079 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.128 7.279 5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.251 7.542 3.749 1.00 0.00 H new ATOM 0 HG LEU A 50 3.308 5.180 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.949 3.905 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.953 5.100 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.489 5.426 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.354 4.385 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.896 5.906 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.075 5.923 3.780 1.00 0.00 H new ATOM 764 N PRO A 51 4.409 10.270 4.970 1.00 0.00 N ATOM 765 CA PRO A 51 4.236 11.615 5.568 1.00 0.00 C ATOM 766 C PRO A 51 2.748 11.948 5.722 1.00 0.00 C ATOM 767 O PRO A 51 1.890 11.258 5.207 1.00 0.00 O ATOM 768 CB PRO A 51 4.908 12.529 4.538 1.00 0.00 C ATOM 769 CG PRO A 51 5.567 11.652 3.456 1.00 0.00 C ATOM 770 CD PRO A 51 5.222 10.184 3.735 1.00 0.00 C ATOM 0 HA PRO A 51 4.662 11.711 6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.173 13.196 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.655 13.158 5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.212 11.942 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.648 11.794 3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.664 9.736 2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.116 9.578 3.880 1.00 0.00 H new ATOM 778 N ASP A 52 2.438 12.998 6.432 1.00 0.00 N ATOM 779 CA ASP A 52 1.008 13.373 6.629 1.00 0.00 C ATOM 780 C ASP A 52 0.406 13.909 5.325 1.00 0.00 C ATOM 781 O ASP A 52 -0.797 13.944 5.156 1.00 0.00 O ATOM 782 CB ASP A 52 1.033 14.472 7.693 1.00 0.00 C ATOM 783 CG ASP A 52 1.216 13.845 9.076 1.00 0.00 C ATOM 784 OD1 ASP A 52 2.349 13.561 9.431 1.00 0.00 O ATOM 785 OD2 ASP A 52 0.221 13.661 9.757 1.00 0.00 O ATOM 0 H ASP A 52 3.114 13.613 6.885 1.00 0.00 H new ATOM 0 HA ASP A 52 0.399 12.520 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.845 15.171 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.105 15.043 7.662 1.00 0.00 H new ATOM 790 N SER A 53 1.231 14.335 4.408 1.00 0.00 N ATOM 791 CA SER A 53 0.703 14.878 3.122 1.00 0.00 C ATOM 792 C SER A 53 0.243 13.745 2.201 1.00 0.00 C ATOM 793 O SER A 53 -0.441 13.971 1.223 1.00 0.00 O ATOM 794 CB SER A 53 1.880 15.621 2.496 1.00 0.00 C ATOM 795 OG SER A 53 2.771 16.040 3.520 1.00 0.00 O ATOM 0 H SER A 53 2.247 14.331 4.493 1.00 0.00 H new ATOM 0 HA SER A 53 -0.161 15.524 3.279 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.399 14.973 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.522 16.484 1.934 1.00 0.00 H new ATOM 0 HG SER A 53 3.534 15.427 3.561 1.00 0.00 H new ATOM 801 N THR A 54 0.615 12.532 2.497 1.00 0.00 N ATOM 802 CA THR A 54 0.198 11.399 1.622 1.00 0.00 C ATOM 803 C THR A 54 -1.069 10.738 2.167 1.00 0.00 C ATOM 804 O THR A 54 -1.260 10.627 3.362 1.00 0.00 O ATOM 805 CB THR A 54 1.372 10.421 1.657 1.00 0.00 C ATOM 806 OG1 THR A 54 2.581 11.143 1.841 1.00 0.00 O ATOM 807 CG2 THR A 54 1.432 9.647 0.341 1.00 0.00 C ATOM 0 H THR A 54 1.187 12.275 3.302 1.00 0.00 H new ATOM 0 HA THR A 54 -0.032 11.727 0.608 1.00 0.00 H new ATOM 0 HB THR A 54 1.238 9.720 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.850 11.096 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.269 8.950 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.503 9.094 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.566 10.345 -0.486 1.00 0.00 H new ATOM 815 N GLN A 55 -1.937 10.293 1.300 1.00 0.00 N ATOM 816 CA GLN A 55 -3.189 9.636 1.772 1.00 0.00 C ATOM 817 C GLN A 55 -3.043 8.114 1.692 1.00 0.00 C ATOM 818 O GLN A 55 -2.092 7.601 1.135 1.00 0.00 O ATOM 819 CB GLN A 55 -4.279 10.125 0.819 1.00 0.00 C ATOM 820 CG GLN A 55 -4.619 11.581 1.140 1.00 0.00 C ATOM 821 CD GLN A 55 -6.118 11.708 1.414 1.00 0.00 C ATOM 822 OE1 GLN A 55 -6.804 12.474 0.766 1.00 0.00 O ATOM 823 NE2 GLN A 55 -6.658 10.985 2.356 1.00 0.00 N ATOM 0 H GLN A 55 -1.834 10.356 0.287 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.421 9.880 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.940 10.038 -0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.168 9.502 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.051 11.915 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.335 12.224 0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.082 10.342 2.899 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.657 11.062 2.549 1.00 0.00 H new ATOM 832 N THR A 56 -3.970 7.389 2.252 1.00 0.00 N ATOM 833 CA THR A 56 -3.875 5.904 2.215 1.00 0.00 C ATOM 834 C THR A 56 -5.268 5.278 2.317 1.00 0.00 C ATOM 835 O THR A 56 -6.260 5.966 2.456 1.00 0.00 O ATOM 836 CB THR A 56 -3.039 5.539 3.442 1.00 0.00 C ATOM 837 OG1 THR A 56 -2.984 6.650 4.327 1.00 0.00 O ATOM 838 CG2 THR A 56 -1.624 5.160 3.006 1.00 0.00 C ATOM 0 H THR A 56 -4.789 7.760 2.733 1.00 0.00 H new ATOM 0 HA THR A 56 -3.432 5.541 1.288 1.00 0.00 H new ATOM 0 HB THR A 56 -3.497 4.692 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.450 6.415 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.030 4.900 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.668 4.305 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.163 6.004 2.493 1.00 0.00 H new ATOM 846 N TRP A 57 -5.350 3.977 2.257 1.00 0.00 N ATOM 847 CA TRP A 57 -6.676 3.308 2.360 1.00 0.00 C ATOM 848 C TRP A 57 -7.187 3.395 3.804 1.00 0.00 C ATOM 849 O TRP A 57 -6.402 3.422 4.730 1.00 0.00 O ATOM 850 CB TRP A 57 -6.409 1.852 1.978 1.00 0.00 C ATOM 851 CG TRP A 57 -7.652 1.244 1.408 1.00 0.00 C ATOM 852 CD1 TRP A 57 -8.064 1.376 0.126 1.00 0.00 C ATOM 853 CD2 TRP A 57 -8.648 0.412 2.073 1.00 0.00 C ATOM 854 NE1 TRP A 57 -9.247 0.680 -0.038 1.00 0.00 N ATOM 855 CE2 TRP A 57 -9.649 0.069 1.133 1.00 0.00 C ATOM 856 CE3 TRP A 57 -8.780 -0.072 3.388 1.00 0.00 C ATOM 857 CZ2 TRP A 57 -10.740 -0.728 1.484 1.00 0.00 C ATOM 858 CZ3 TRP A 57 -9.877 -0.874 3.744 1.00 0.00 C ATOM 859 CH2 TRP A 57 -10.855 -1.201 2.794 1.00 0.00 C ATOM 0 H TRP A 57 -4.555 3.349 2.141 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.429 3.767 1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -5.600 1.800 1.249 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -6.086 1.289 2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -7.552 1.934 -0.644 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -9.761 0.625 -0.917 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.033 0.175 4.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -11.490 -0.977 0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -9.968 -1.241 4.756 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -11.696 -1.818 3.074 1.00 0.00 H new ATOM 870 N PRO A 58 -8.485 3.477 3.954 1.00 0.00 N ATOM 871 CA PRO A 58 -9.407 3.619 2.800 1.00 0.00 C ATOM 872 C PRO A 58 -9.335 5.035 2.218 1.00 0.00 C ATOM 873 O PRO A 58 -8.612 5.883 2.703 1.00 0.00 O ATOM 874 CB PRO A 58 -10.774 3.371 3.444 1.00 0.00 C ATOM 875 CG PRO A 58 -10.598 3.342 4.975 1.00 0.00 C ATOM 876 CD PRO A 58 -9.100 3.422 5.298 1.00 0.00 C ATOM 0 HA PRO A 58 -9.180 2.946 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.475 4.156 3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.192 2.427 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.129 4.177 5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.026 2.428 5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.859 4.304 5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.760 2.555 5.865 1.00 0.00 H new ATOM 884 N LEU A 59 -10.095 5.296 1.191 1.00 0.00 N ATOM 885 CA LEU A 59 -10.096 6.657 0.579 1.00 0.00 C ATOM 886 C LEU A 59 -11.301 7.446 1.105 1.00 0.00 C ATOM 887 O LEU A 59 -12.183 6.877 1.715 1.00 0.00 O ATOM 888 CB LEU A 59 -10.226 6.407 -0.926 1.00 0.00 C ATOM 889 CG LEU A 59 -8.855 6.058 -1.511 1.00 0.00 C ATOM 890 CD1 LEU A 59 -8.945 4.731 -2.266 1.00 0.00 C ATOM 891 CD2 LEU A 59 -8.415 7.161 -2.476 1.00 0.00 C ATOM 0 H LEU A 59 -10.719 4.623 0.746 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.202 7.233 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.928 5.594 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.627 7.293 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.129 5.970 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.969 4.482 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.258 3.943 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.672 4.820 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.439 6.912 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.142 7.249 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.350 8.108 -1.941 1.00 0.00 H new ATOM 903 N PRO A 60 -11.311 8.732 0.858 1.00 0.00 N ATOM 904 CA PRO A 60 -12.432 9.580 1.324 1.00 0.00 C ATOM 905 C PRO A 60 -13.767 8.996 0.860 1.00 0.00 C ATOM 906 O PRO A 60 -13.839 7.871 0.406 1.00 0.00 O ATOM 907 CB PRO A 60 -12.140 10.921 0.646 1.00 0.00 C ATOM 908 CG PRO A 60 -10.762 10.836 -0.042 1.00 0.00 C ATOM 909 CD PRO A 60 -10.223 9.405 0.108 1.00 0.00 C ATOM 0 HA PRO A 60 -12.508 9.660 2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.914 11.151 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.147 11.726 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.849 11.098 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.071 11.549 0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.045 8.935 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.279 9.381 0.653 1.00 0.00 H new ATOM 917 N ASN A 61 -14.824 9.752 0.962 1.00 0.00 N ATOM 918 CA ASN A 61 -16.149 9.234 0.519 1.00 0.00 C ATOM 919 C ASN A 61 -15.999 8.572 -0.850 1.00 0.00 C ATOM 920 O ASN A 61 -16.756 7.697 -1.221 1.00 0.00 O ATOM 921 CB ASN A 61 -17.050 10.467 0.431 1.00 0.00 C ATOM 922 CG ASN A 61 -17.261 11.046 1.832 1.00 0.00 C ATOM 923 OD1 ASN A 61 -16.332 11.532 2.447 1.00 0.00 O ATOM 924 ND2 ASN A 61 -18.451 11.014 2.366 1.00 0.00 N ATOM 0 H ASN A 61 -14.829 10.703 1.331 1.00 0.00 H new ATOM 0 HA ASN A 61 -16.561 8.488 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.597 11.216 -0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -18.009 10.199 -0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.602 11.397 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.231 10.606 1.850 1.00 0.00 H new ATOM 931 N LYS A 62 -15.015 8.986 -1.598 1.00 0.00 N ATOM 932 CA LYS A 62 -14.792 8.387 -2.947 1.00 0.00 C ATOM 933 C LYS A 62 -13.931 7.125 -2.824 1.00 0.00 C ATOM 934 O LYS A 62 -12.791 7.100 -3.241 1.00 0.00 O ATOM 935 CB LYS A 62 -14.045 9.464 -3.736 1.00 0.00 C ATOM 936 CG LYS A 62 -14.662 9.604 -5.129 1.00 0.00 C ATOM 937 CD LYS A 62 -14.744 8.229 -5.794 1.00 0.00 C ATOM 938 CE LYS A 62 -16.173 7.986 -6.291 1.00 0.00 C ATOM 939 NZ LYS A 62 -16.467 6.554 -5.987 1.00 0.00 N ATOM 0 H LYS A 62 -14.353 9.715 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.724 8.095 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.096 10.416 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.990 9.202 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.657 10.043 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.060 10.279 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.044 8.174 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.457 7.453 -5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.880 8.646 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.255 8.185 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.431 6.323 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.785 5.946 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.390 6.394 -4.962 1.00 0.00 H new ATOM 953 N THR A 63 -14.465 6.079 -2.251 1.00 0.00 N ATOM 954 CA THR A 63 -13.671 4.825 -2.097 1.00 0.00 C ATOM 955 C THR A 63 -13.852 3.917 -3.321 1.00 0.00 C ATOM 956 O THR A 63 -14.479 4.287 -4.293 1.00 0.00 O ATOM 957 CB THR A 63 -14.235 4.158 -0.841 1.00 0.00 C ATOM 958 OG1 THR A 63 -14.653 5.160 0.076 1.00 0.00 O ATOM 959 CG2 THR A 63 -13.159 3.287 -0.192 1.00 0.00 C ATOM 0 H THR A 63 -15.416 6.039 -1.883 1.00 0.00 H new ATOM 0 HA THR A 63 -12.602 5.021 -2.013 1.00 0.00 H new ATOM 0 HB THR A 63 -15.086 3.533 -1.113 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.062 5.938 0.002 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.565 2.814 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.839 2.519 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.305 3.907 0.081 1.00 0.00 H new ATOM 967 N CYS A 64 -13.300 2.733 -3.280 1.00 0.00 N ATOM 968 CA CYS A 64 -13.432 1.802 -4.439 1.00 0.00 C ATOM 969 C CYS A 64 -14.803 1.121 -4.426 1.00 0.00 C ATOM 970 O CYS A 64 -15.278 0.767 -5.494 1.00 0.00 O ATOM 971 CB CYS A 64 -12.319 0.771 -4.244 1.00 0.00 C ATOM 972 SG CYS A 64 -12.192 -0.270 -5.720 1.00 0.00 S ATOM 973 OXT CYS A 64 -15.354 0.963 -3.349 1.00 0.00 O ATOM 0 H CYS A 64 -12.763 2.370 -2.493 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.349 2.320 -5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.370 1.275 -4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.529 0.155 -3.369 1.00 0.00 H new TER 978 CYS A 64