USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.0763 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 148:sc= 1.51 (180deg=0.144) USER MOD Set 3.1: A 5 THR OG1 : rot -31:sc= 1.87 USER MOD Set 3.2: A 8 THR OG1 : rot 55:sc= -0.858 USER MOD Set 3.3: A 9 SER OG : rot 180:sc= 0.106 USER MOD Single : A 1 ILE N :NH3+ -106:sc= -1.87! (180deg=-2.89!) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -13.4! C(o=-14!,f=-13!) USER MOD Single : A 6 THR OG1 : rot 177:sc= -3.77! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.93 F(o=-4.9!,f=-1.9) USER MOD Single : A 27 MET CE :methyl -132:sc= -0.418 (180deg=-1.84!) USER MOD Single : A 34 SER OG : rot 63:sc= 0.105 USER MOD Single : A 35 SER OG : rot -106:sc= -0.201 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 51 LYS NZ :NH3+ -116:sc= -0.0227 (180deg=-0.373) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.182) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -7.75! C(o=-7.8!,f=-11!) USER MOD Single : A 68 HIS : no HE2:sc= -9.48! C(o=-9.5!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ -111:sc= -0.633 (180deg=-1.47!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.618 F(o=-2.2!,f=-0.62) USER MOD Single : B 3 TYR OH : rot 63:sc= -2.24! USER MOD Single : B 4 TYR OH : rot 50:sc= -3.5! USER MOD Single : B 6 SER OG : rot 49:sc= 0.176 USER MOD Single : B 7 SER OG : rot 76:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.174 15.064 -1.620 1.00 0.00 N ATOM 2 CA ILE A 1 6.768 14.999 -2.114 1.00 0.00 C ATOM 3 C ILE A 1 5.892 14.236 -1.117 1.00 0.00 C ATOM 4 O ILE A 1 6.322 13.894 -0.033 1.00 0.00 O ATOM 5 CB ILE A 1 6.849 14.244 -3.441 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.524 12.889 -3.216 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.666 15.059 -4.445 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.634 12.145 -4.548 1.00 0.00 C ATOM 0 H1 ILE A 1 8.378 16.025 -1.279 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.300 14.386 -0.841 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.826 14.826 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 1 6.326 15.988 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 1 5.843 14.090 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.515 13.032 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.948 12.298 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.723 14.520 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.186 16.024 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.672 15.214 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.115 11.180 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.637 11.989 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.228 12.735 -5.246 1.00 0.00 H new ATOM 22 N VAL A 2 4.668 13.964 -1.478 1.00 0.00 N ATOM 23 CA VAL A 2 3.766 13.220 -0.553 1.00 0.00 C ATOM 24 C VAL A 2 3.441 11.845 -1.132 1.00 0.00 C ATOM 25 O VAL A 2 3.547 11.618 -2.321 1.00 0.00 O ATOM 26 CB VAL A 2 2.497 14.062 -0.467 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.652 13.603 0.719 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.870 15.532 -0.288 1.00 0.00 C ATOM 0 H VAL A 2 4.253 14.224 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 2 4.222 13.064 0.425 1.00 0.00 H new ATOM 0 HB VAL A 2 1.923 13.941 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.747 14.207 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.381 12.555 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.224 13.718 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.963 16.133 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.447 15.652 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.467 15.862 -1.138 1.00 0.00 H new ATOM 38 N CYS A 3 3.055 10.925 -0.299 1.00 0.00 N ATOM 39 CA CYS A 3 2.732 9.563 -0.794 1.00 0.00 C ATOM 40 C CYS A 3 1.482 9.027 -0.101 1.00 0.00 C ATOM 41 O CYS A 3 1.068 9.537 0.916 1.00 0.00 O ATOM 42 CB CYS A 3 3.946 8.737 -0.422 1.00 0.00 C ATOM 43 SG CYS A 3 5.437 9.596 -0.980 1.00 0.00 S ATOM 0 H CYS A 3 2.949 11.058 0.707 1.00 0.00 H new ATOM 0 HA CYS A 3 2.525 9.541 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.981 8.584 0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.885 7.751 -0.882 1.00 0.00 H new ATOM 48 N HIS A 4 0.888 7.991 -0.633 1.00 0.00 N ATOM 49 CA HIS A 4 -0.340 7.428 0.006 1.00 0.00 C ATOM 50 C HIS A 4 0.013 6.240 0.878 1.00 0.00 C ATOM 51 O HIS A 4 0.954 5.520 0.604 1.00 0.00 O ATOM 52 CB HIS A 4 -1.223 6.973 -1.134 1.00 0.00 C ATOM 53 CG HIS A 4 -1.301 8.043 -2.191 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.085 8.025 -3.550 1.00 0.00 N flip ATOM 55 CD2 HIS A 4 -1.665 9.344 -1.887 1.00 0.00 C flip ATOM 56 CE1 HIS A 4 -1.311 9.292 -4.077 1.00 0.00 C flip ATOM 57 NE2 HIS A 4 -1.658 10.047 -3.033 1.00 0.00 N flip ATOM 0 H HIS A 4 1.198 7.512 -1.478 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.831 8.167 0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.827 6.054 -1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.222 6.746 -0.762 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.910 9.725 -0.907 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.224 9.599 -5.109 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.890 11.038 -3.097 1.00 0.00 H new ATOM 65 N THR A 5 -0.726 6.007 1.923 1.00 0.00 N ATOM 66 CA THR A 5 -0.395 4.845 2.769 1.00 0.00 C ATOM 67 C THR A 5 -1.585 3.916 2.915 1.00 0.00 C ATOM 68 O THR A 5 -2.552 4.190 3.597 1.00 0.00 O ATOM 69 CB THR A 5 0.021 5.374 4.133 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.054 5.228 5.044 1.00 0.00 O ATOM 71 CG2 THR A 5 0.451 6.844 4.057 1.00 0.00 C ATOM 0 H THR A 5 -1.529 6.562 2.220 1.00 0.00 H new ATOM 0 HA THR A 5 0.410 4.272 2.310 1.00 0.00 H new ATOM 0 HB THR A 5 0.878 4.795 4.479 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.904 5.307 4.563 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.742 7.190 5.049 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.297 6.941 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.380 7.448 3.691 1.00 0.00 H new ATOM 79 N THR A 6 -1.475 2.799 2.304 1.00 0.00 N ATOM 80 CA THR A 6 -2.534 1.767 2.410 1.00 0.00 C ATOM 81 C THR A 6 -2.161 0.822 3.553 1.00 0.00 C ATOM 82 O THR A 6 -2.961 0.040 4.023 1.00 0.00 O ATOM 83 CB THR A 6 -2.512 1.021 1.071 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.301 1.306 0.388 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.693 1.465 0.211 1.00 0.00 C ATOM 0 H THR A 6 -0.682 2.539 1.718 1.00 0.00 H new ATOM 0 HA THR A 6 -3.522 2.182 2.611 1.00 0.00 H new ATOM 0 HB THR A 6 -2.584 -0.050 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.266 0.790 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.672 0.931 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.625 1.244 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.626 2.537 0.027 1.00 0.00 H new ATOM 93 N ALA A 7 -0.921 0.871 3.971 1.00 0.00 N ATOM 94 CA ALA A 7 -0.448 -0.041 5.049 1.00 0.00 C ATOM 95 C ALA A 7 -0.560 0.580 6.445 1.00 0.00 C ATOM 96 O ALA A 7 -0.743 -0.119 7.422 1.00 0.00 O ATOM 97 CB ALA A 7 1.009 -0.325 4.693 1.00 0.00 C ATOM 0 H ALA A 7 -0.214 1.509 3.607 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.059 -0.942 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.442 -0.993 5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.059 -0.795 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.568 0.610 4.676 1.00 0.00 H new ATOM 103 N THR A 8 -0.445 1.871 6.565 1.00 0.00 N ATOM 104 CA THR A 8 -0.541 2.488 7.921 1.00 0.00 C ATOM 105 C THR A 8 -1.955 3.017 8.137 1.00 0.00 C ATOM 106 O THR A 8 -2.828 2.307 8.595 1.00 0.00 O ATOM 107 CB THR A 8 0.472 3.635 7.915 1.00 0.00 C ATOM 108 OG1 THR A 8 0.613 4.136 6.593 1.00 0.00 O ATOM 109 CG2 THR A 8 1.824 3.125 8.417 1.00 0.00 C ATOM 0 H THR A 8 -0.290 2.522 5.795 1.00 0.00 H new ATOM 0 HA THR A 8 -0.332 1.778 8.722 1.00 0.00 H new ATOM 0 HB THR A 8 0.121 4.433 8.569 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.266 4.393 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.545 3.942 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.715 2.743 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.177 2.326 7.765 1.00 0.00 H new ATOM 117 N SER A 9 -2.201 4.243 7.787 1.00 0.00 N ATOM 118 CA SER A 9 -3.575 4.787 7.950 1.00 0.00 C ATOM 119 C SER A 9 -4.479 4.082 6.933 1.00 0.00 C ATOM 120 O SER A 9 -4.083 3.082 6.369 1.00 0.00 O ATOM 121 CB SER A 9 -3.442 6.280 7.649 1.00 0.00 C ATOM 122 OG SER A 9 -2.110 6.702 7.915 1.00 0.00 O ATOM 0 H SER A 9 -1.516 4.890 7.397 1.00 0.00 H new ATOM 0 HA SER A 9 -4.005 4.633 8.940 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.695 6.475 6.607 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.143 6.849 8.260 1.00 0.00 H new ATOM 0 HG SER A 9 -2.025 7.659 7.720 1.00 0.00 H new ATOM 128 N PRO A 10 -5.655 4.605 6.706 1.00 0.00 N ATOM 129 CA PRO A 10 -6.556 3.963 5.724 1.00 0.00 C ATOM 130 C PRO A 10 -6.008 4.187 4.322 1.00 0.00 C ATOM 131 O PRO A 10 -5.674 3.265 3.606 1.00 0.00 O ATOM 132 CB PRO A 10 -7.884 4.684 5.925 1.00 0.00 C ATOM 133 CG PRO A 10 -7.531 6.004 6.530 1.00 0.00 C ATOM 134 CD PRO A 10 -6.253 5.807 7.306 1.00 0.00 C ATOM 0 HA PRO A 10 -6.656 2.885 5.852 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.408 4.813 4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.545 4.116 6.580 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.399 6.760 5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.329 6.354 7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.593 6.670 7.214 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.449 5.667 8.369 1.00 0.00 H new ATOM 142 N ILE A 11 -5.903 5.416 3.944 1.00 0.00 N ATOM 143 CA ILE A 11 -5.373 5.761 2.617 1.00 0.00 C ATOM 144 C ILE A 11 -5.454 7.266 2.424 1.00 0.00 C ATOM 145 O ILE A 11 -6.514 7.859 2.399 1.00 0.00 O ATOM 146 CB ILE A 11 -6.247 4.985 1.643 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.343 3.960 0.950 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.904 5.921 0.610 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.850 3.649 -0.460 1.00 0.00 C ATOM 0 H ILE A 11 -6.170 6.217 4.517 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.324 5.500 2.473 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.060 4.491 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.324 4.344 0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.308 3.043 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.522 5.335 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.526 6.653 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.130 6.438 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.191 2.919 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.860 3.243 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.861 4.564 -1.053 1.00 0.00 H new ATOM 161 N SER A 12 -4.328 7.874 2.300 1.00 0.00 N ATOM 162 CA SER A 12 -4.280 9.342 2.117 1.00 0.00 C ATOM 163 C SER A 12 -2.858 9.726 1.760 1.00 0.00 C ATOM 164 O SER A 12 -1.922 9.016 2.084 1.00 0.00 O ATOM 165 CB SER A 12 -4.680 9.931 3.469 1.00 0.00 C ATOM 166 OG SER A 12 -3.644 9.686 4.413 1.00 0.00 O ATOM 0 H SER A 12 -3.418 7.413 2.317 1.00 0.00 H new ATOM 0 HA SER A 12 -4.938 9.703 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.856 11.003 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.613 9.484 3.812 1.00 0.00 H new ATOM 0 HG SER A 12 -3.896 10.064 5.281 1.00 0.00 H new ATOM 172 N ALA A 13 -2.677 10.823 1.089 1.00 0.00 N ATOM 173 CA ALA A 13 -1.301 11.216 0.711 1.00 0.00 C ATOM 174 C ALA A 13 -0.697 12.159 1.737 1.00 0.00 C ATOM 175 O ALA A 13 -0.994 13.337 1.764 1.00 0.00 O ATOM 176 CB ALA A 13 -1.426 11.927 -0.621 1.00 0.00 C ATOM 0 H ALA A 13 -3.416 11.459 0.789 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.651 10.343 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.439 12.245 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.859 11.249 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.069 12.800 -0.509 1.00 0.00 H new ATOM 182 N VAL A 14 0.171 11.664 2.563 1.00 0.00 N ATOM 183 CA VAL A 14 0.812 12.555 3.555 1.00 0.00 C ATOM 184 C VAL A 14 2.305 12.601 3.287 1.00 0.00 C ATOM 185 O VAL A 14 2.929 11.607 2.965 1.00 0.00 O ATOM 186 CB VAL A 14 0.532 11.958 4.938 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.873 11.370 4.963 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.561 10.866 5.257 1.00 0.00 C ATOM 0 H VAL A 14 0.463 10.687 2.594 1.00 0.00 H new ATOM 0 HA VAL A 14 0.423 13.572 3.496 1.00 0.00 H new ATOM 0 HB VAL A 14 0.608 12.743 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.072 10.945 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.600 12.155 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.954 10.589 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.354 10.448 6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.499 10.077 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.562 11.296 5.249 1.00 0.00 H new ATOM 198 N THR A 15 2.875 13.742 3.422 1.00 0.00 N ATOM 199 CA THR A 15 4.335 13.862 3.193 1.00 0.00 C ATOM 200 C THR A 15 5.065 12.744 3.942 1.00 0.00 C ATOM 201 O THR A 15 4.520 12.127 4.835 1.00 0.00 O ATOM 202 CB THR A 15 4.710 15.219 3.772 1.00 0.00 C ATOM 203 OG1 THR A 15 3.801 16.203 3.300 1.00 0.00 O ATOM 204 CG2 THR A 15 6.130 15.577 3.339 1.00 0.00 C ATOM 0 H THR A 15 2.400 14.607 3.682 1.00 0.00 H new ATOM 0 HA THR A 15 4.604 13.779 2.140 1.00 0.00 H new ATOM 0 HB THR A 15 4.662 15.180 4.860 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.041 17.076 3.674 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.402 16.548 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.824 14.820 3.705 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.179 15.619 2.251 1.00 0.00 H new ATOM 212 N CYS A 16 6.291 12.474 3.587 1.00 0.00 N ATOM 213 CA CYS A 16 7.044 11.395 4.280 1.00 0.00 C ATOM 214 C CYS A 16 8.004 11.993 5.314 1.00 0.00 C ATOM 215 O CYS A 16 8.283 13.175 5.293 1.00 0.00 O ATOM 216 CB CYS A 16 7.818 10.694 3.167 1.00 0.00 C ATOM 217 SG CYS A 16 6.697 10.317 1.798 1.00 0.00 S ATOM 0 H CYS A 16 6.802 12.955 2.847 1.00 0.00 H new ATOM 0 HA CYS A 16 6.391 10.711 4.822 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.632 11.330 2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.269 9.776 3.545 1.00 0.00 H new ATOM 222 N PRO A 17 8.478 11.144 6.187 1.00 0.00 N ATOM 223 CA PRO A 17 9.422 11.580 7.247 1.00 0.00 C ATOM 224 C PRO A 17 10.793 11.900 6.642 1.00 0.00 C ATOM 225 O PRO A 17 11.007 11.709 5.461 1.00 0.00 O ATOM 226 CB PRO A 17 9.503 10.366 8.171 1.00 0.00 C ATOM 227 CG PRO A 17 9.138 9.200 7.310 1.00 0.00 C ATOM 228 CD PRO A 17 8.182 9.710 6.265 1.00 0.00 C ATOM 0 HA PRO A 17 9.101 12.484 7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.504 10.252 8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.818 10.465 9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.025 8.771 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.676 8.411 7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.338 9.217 5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.145 9.531 6.550 1.00 0.00 H new ATOM 236 N PRO A 18 11.679 12.377 7.475 1.00 0.00 N ATOM 237 CA PRO A 18 13.047 12.725 7.014 1.00 0.00 C ATOM 238 C PRO A 18 13.817 11.456 6.637 1.00 0.00 C ATOM 239 O PRO A 18 14.386 10.786 7.477 1.00 0.00 O ATOM 240 CB PRO A 18 13.670 13.415 8.226 1.00 0.00 C ATOM 241 CG PRO A 18 12.903 12.892 9.397 1.00 0.00 C ATOM 242 CD PRO A 18 11.501 12.635 8.910 1.00 0.00 C ATOM 0 HA PRO A 18 13.058 13.358 6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.731 13.182 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 18 13.587 14.499 8.150 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.355 11.977 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.904 13.613 10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.049 11.783 9.418 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.851 13.492 9.086 1.00 0.00 H new ATOM 250 N GLY A 19 13.831 11.122 5.376 1.00 0.00 N ATOM 251 CA GLY A 19 14.552 9.898 4.928 1.00 0.00 C ATOM 252 C GLY A 19 13.957 9.431 3.600 1.00 0.00 C ATOM 253 O GLY A 19 14.629 9.384 2.590 1.00 0.00 O ATOM 0 H GLY A 19 13.371 11.648 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.615 10.108 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.463 9.112 5.678 1.00 0.00 H new ATOM 257 N GLU A 20 12.698 9.091 3.594 1.00 0.00 N ATOM 258 CA GLU A 20 12.050 8.637 2.343 1.00 0.00 C ATOM 259 C GLU A 20 11.921 9.808 1.368 1.00 0.00 C ATOM 260 O GLU A 20 11.139 10.716 1.571 1.00 0.00 O ATOM 261 CB GLU A 20 10.683 8.147 2.803 1.00 0.00 C ATOM 262 CG GLU A 20 10.880 6.962 3.749 1.00 0.00 C ATOM 263 CD GLU A 20 9.520 6.452 4.230 1.00 0.00 C ATOM 264 OE1 GLU A 20 8.784 7.238 4.802 1.00 0.00 O ATOM 265 OE2 GLU A 20 9.242 5.283 4.024 1.00 0.00 O ATOM 0 H GLU A 20 12.089 9.110 4.412 1.00 0.00 H new ATOM 0 HA GLU A 20 12.610 7.863 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.145 8.949 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.080 7.850 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.419 6.163 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.488 7.263 4.602 1.00 0.00 H new ATOM 272 N ASN A 21 12.695 9.800 0.318 1.00 0.00 N ATOM 273 CA ASN A 21 12.632 10.916 -0.664 1.00 0.00 C ATOM 274 C ASN A 21 11.516 10.677 -1.681 1.00 0.00 C ATOM 275 O ASN A 21 11.158 11.558 -2.438 1.00 0.00 O ATOM 276 CB ASN A 21 13.993 10.898 -1.359 1.00 0.00 C ATOM 277 CG ASN A 21 15.112 10.842 -0.315 1.00 0.00 C ATOM 278 OD1 ASN A 21 14.850 11.133 0.932 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 16.240 10.529 -0.637 1.00 0.00 N flip ATOM 0 H ASN A 21 13.369 9.067 0.098 1.00 0.00 H new ATOM 0 HA ASN A 21 12.421 11.872 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.060 10.036 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.106 11.788 -1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.448 10.301 -1.609 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.979 10.494 0.065 1.00 0.00 H new ATOM 286 N LEU A 22 10.967 9.495 -1.716 1.00 0.00 N ATOM 287 CA LEU A 22 9.883 9.221 -2.700 1.00 0.00 C ATOM 288 C LEU A 22 8.877 8.219 -2.138 1.00 0.00 C ATOM 289 O LEU A 22 8.993 7.764 -1.022 1.00 0.00 O ATOM 290 CB LEU A 22 10.598 8.633 -3.914 1.00 0.00 C ATOM 291 CG LEU A 22 11.040 7.200 -3.614 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.285 6.237 -4.529 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.541 7.071 -3.873 1.00 0.00 C ATOM 0 H LEU A 22 11.219 8.713 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 22 9.319 10.121 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.934 8.645 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.464 9.244 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 22 10.825 6.960 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.597 5.214 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.214 6.333 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.505 6.476 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.861 6.051 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.752 7.307 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.082 7.763 -3.228 1.00 0.00 H new ATOM 305 N CYS A 23 7.884 7.880 -2.908 1.00 0.00 N ATOM 306 CA CYS A 23 6.859 6.914 -2.436 1.00 0.00 C ATOM 307 C CYS A 23 7.150 5.534 -3.001 1.00 0.00 C ATOM 308 O CYS A 23 8.033 5.353 -3.814 1.00 0.00 O ATOM 309 CB CYS A 23 5.534 7.408 -3.006 1.00 0.00 C ATOM 310 SG CYS A 23 5.466 9.215 -2.956 1.00 0.00 S ATOM 0 H CYS A 23 7.738 8.235 -3.853 1.00 0.00 H new ATOM 0 HA CYS A 23 6.846 6.846 -1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.420 7.061 -4.033 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.706 6.990 -2.434 1.00 0.00 H new ATOM 315 N TYR A 24 6.392 4.562 -2.607 1.00 0.00 N ATOM 316 CA TYR A 24 6.619 3.206 -3.149 1.00 0.00 C ATOM 317 C TYR A 24 5.333 2.404 -3.141 1.00 0.00 C ATOM 318 O TYR A 24 4.457 2.625 -2.343 1.00 0.00 O ATOM 319 CB TYR A 24 7.640 2.549 -2.232 1.00 0.00 C ATOM 320 CG TYR A 24 6.979 2.203 -0.926 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.330 0.976 -0.780 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.014 3.108 0.130 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.712 0.652 0.434 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.398 2.791 1.346 1.00 0.00 C ATOM 325 CZ TYR A 24 5.747 1.560 1.498 1.00 0.00 C ATOM 326 OH TYR A 24 5.139 1.244 2.696 1.00 0.00 O ATOM 0 H TYR A 24 5.628 4.646 -1.936 1.00 0.00 H new ATOM 0 HA TYR A 24 6.969 3.252 -4.180 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.042 1.650 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.480 3.222 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.304 0.277 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.517 4.056 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.209 -0.297 0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.424 3.494 2.165 1.00 0.00 H new ATOM 0 HH TYR A 24 5.258 1.983 3.328 1.00 0.00 H new ATOM 336 N ARG A 25 5.223 1.461 -4.011 1.00 0.00 N ATOM 337 CA ARG A 25 3.984 0.638 -4.028 1.00 0.00 C ATOM 338 C ARG A 25 4.335 -0.816 -3.691 1.00 0.00 C ATOM 339 O ARG A 25 4.967 -1.498 -4.471 1.00 0.00 O ATOM 340 CB ARG A 25 3.437 0.732 -5.461 1.00 0.00 C ATOM 341 CG ARG A 25 3.810 2.080 -6.094 1.00 0.00 C ATOM 342 CD ARG A 25 3.175 2.188 -7.483 1.00 0.00 C ATOM 343 NE ARG A 25 1.722 1.945 -7.265 1.00 0.00 N ATOM 344 CZ ARG A 25 1.157 0.878 -7.759 1.00 0.00 C ATOM 345 NH1 ARG A 25 1.837 -0.231 -7.866 1.00 0.00 N ATOM 346 NH2 ARG A 25 -0.088 0.919 -8.148 1.00 0.00 N ATOM 0 H ARG A 25 5.925 1.218 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 25 3.251 0.985 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.839 -0.083 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.353 0.616 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.466 2.898 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.894 2.170 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.349 3.171 -7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.599 1.454 -8.168 1.00 0.00 H new ATOM 0 HE ARG A 25 1.168 2.613 -6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.810 -0.264 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.395 -1.065 -8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.620 1.786 -8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.529 0.084 -8.534 1.00 0.00 H new ATOM 360 N LYS A 26 3.937 -1.311 -2.549 1.00 0.00 N ATOM 361 CA LYS A 26 4.278 -2.716 -2.218 1.00 0.00 C ATOM 362 C LYS A 26 3.078 -3.613 -2.427 1.00 0.00 C ATOM 363 O LYS A 26 1.966 -3.163 -2.606 1.00 0.00 O ATOM 364 CB LYS A 26 4.678 -2.725 -0.744 1.00 0.00 C ATOM 365 CG LYS A 26 6.174 -3.012 -0.625 1.00 0.00 C ATOM 366 CD LYS A 26 6.646 -2.687 0.793 1.00 0.00 C ATOM 367 CE LYS A 26 7.744 -1.622 0.736 1.00 0.00 C ATOM 368 NZ LYS A 26 7.696 -0.949 2.064 1.00 0.00 N ATOM 0 H LYS A 26 3.399 -0.808 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 26 5.082 -3.084 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.444 -1.764 -0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.107 -3.482 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.373 -4.059 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.728 -2.415 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.809 -2.329 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.023 -3.588 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.721 -2.071 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.565 -0.913 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.652 -0.637 2.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.064 -0.124 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.338 -1.615 2.778 1.00 0.00 H new ATOM 382 N MET A 27 3.300 -4.883 -2.392 1.00 0.00 N ATOM 383 CA MET A 27 2.181 -5.830 -2.569 1.00 0.00 C ATOM 384 C MET A 27 2.637 -7.220 -2.187 1.00 0.00 C ATOM 385 O MET A 27 3.752 -7.619 -2.459 1.00 0.00 O ATOM 386 CB MET A 27 1.813 -5.756 -4.049 1.00 0.00 C ATOM 387 CG MET A 27 0.355 -5.319 -4.195 1.00 0.00 C ATOM 388 SD MET A 27 -0.122 -5.379 -5.941 1.00 0.00 S ATOM 389 CE MET A 27 0.168 -3.632 -6.318 1.00 0.00 C ATOM 0 H MET A 27 4.214 -5.312 -2.247 1.00 0.00 H new ATOM 0 HA MET A 27 1.322 -5.589 -1.943 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.467 -5.051 -4.562 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.960 -6.728 -4.520 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.292 -5.971 -3.608 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.226 -4.309 -3.806 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.692 -3.227 -6.852 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.312 -3.079 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.059 -3.537 -6.939 1.00 0.00 H new ATOM 399 N TRP A 28 1.795 -7.957 -1.538 1.00 0.00 N ATOM 400 CA TRP A 28 2.205 -9.311 -1.120 1.00 0.00 C ATOM 401 C TRP A 28 1.045 -10.305 -1.234 1.00 0.00 C ATOM 402 O TRP A 28 0.805 -10.882 -2.277 1.00 0.00 O ATOM 403 CB TRP A 28 2.661 -9.167 0.340 1.00 0.00 C ATOM 404 CG TRP A 28 2.068 -7.966 1.040 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.804 -7.864 1.538 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.725 -6.712 1.370 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.661 -6.629 2.146 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.816 -5.885 2.066 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.011 -6.221 1.129 1.00 0.00 C ATOM 410 CZ2 TRP A 28 2.176 -4.614 2.511 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.383 -4.942 1.572 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.466 -4.139 2.265 1.00 0.00 C ATOM 0 H TRP A 28 0.847 -7.683 -1.280 1.00 0.00 H new ATOM 0 HA TRP A 28 2.999 -9.701 -1.757 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.388 -10.069 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.748 -9.094 0.367 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.039 -8.623 1.470 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.196 -6.309 2.598 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.726 -6.831 0.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.463 -4.001 3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.380 -4.575 1.378 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.756 -3.157 2.607 1.00 0.00 H new ATOM 423 N CYS A 29 0.342 -10.514 -0.162 1.00 0.00 N ATOM 424 CA CYS A 29 -0.803 -11.475 -0.160 1.00 0.00 C ATOM 425 C CYS A 29 -1.420 -11.525 1.241 1.00 0.00 C ATOM 426 O CYS A 29 -0.886 -12.140 2.143 1.00 0.00 O ATOM 427 CB CYS A 29 -0.184 -12.827 -0.520 1.00 0.00 C ATOM 428 SG CYS A 29 -1.494 -14.031 -0.848 1.00 0.00 S ATOM 0 H CYS A 29 0.511 -10.054 0.732 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.592 -11.194 -0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.455 -12.723 -1.397 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.448 -13.177 0.296 1.00 0.00 H new ATOM 433 N ASP A 30 -2.534 -10.873 1.435 1.00 0.00 N ATOM 434 CA ASP A 30 -3.176 -10.874 2.781 1.00 0.00 C ATOM 435 C ASP A 30 -3.860 -12.218 3.044 1.00 0.00 C ATOM 436 O ASP A 30 -3.849 -13.104 2.214 1.00 0.00 O ATOM 437 CB ASP A 30 -4.208 -9.747 2.724 1.00 0.00 C ATOM 438 CG ASP A 30 -3.730 -8.570 3.575 1.00 0.00 C ATOM 439 OD1 ASP A 30 -2.535 -8.326 3.597 1.00 0.00 O ATOM 440 OD2 ASP A 30 -4.567 -7.931 4.191 1.00 0.00 O ATOM 0 H ASP A 30 -3.028 -10.339 0.719 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.453 -10.727 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.355 -9.427 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.172 -10.104 3.088 1.00 0.00 H new ATOM 445 N ALA A 31 -4.456 -12.374 4.194 1.00 0.00 N ATOM 446 CA ALA A 31 -5.142 -13.660 4.509 1.00 0.00 C ATOM 447 C ALA A 31 -6.228 -13.944 3.468 1.00 0.00 C ATOM 448 O ALA A 31 -6.726 -15.046 3.360 1.00 0.00 O ATOM 449 CB ALA A 31 -5.765 -13.449 5.889 1.00 0.00 C ATOM 0 H ALA A 31 -4.498 -11.668 4.929 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.458 -14.509 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.290 -14.354 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.981 -13.224 6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.469 -12.618 5.847 1.00 0.00 H new ATOM 455 N PHE A 32 -6.598 -12.954 2.700 1.00 0.00 N ATOM 456 CA PHE A 32 -7.651 -13.165 1.667 1.00 0.00 C ATOM 457 C PHE A 32 -7.090 -12.879 0.270 1.00 0.00 C ATOM 458 O PHE A 32 -7.759 -13.064 -0.727 1.00 0.00 O ATOM 459 CB PHE A 32 -8.754 -12.166 2.017 1.00 0.00 C ATOM 460 CG PHE A 32 -9.477 -12.626 3.261 1.00 0.00 C ATOM 461 CD1 PHE A 32 -10.208 -13.820 3.245 1.00 0.00 C ATOM 462 CD2 PHE A 32 -9.417 -11.857 4.430 1.00 0.00 C ATOM 463 CE1 PHE A 32 -10.879 -14.245 4.398 1.00 0.00 C ATOM 464 CE2 PHE A 32 -10.088 -12.283 5.582 1.00 0.00 C ATOM 465 CZ PHE A 32 -10.819 -13.476 5.567 1.00 0.00 C ATOM 0 H PHE A 32 -6.216 -12.009 2.744 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.018 -14.191 1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.325 -11.177 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.456 -12.078 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.254 -14.413 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.853 -10.936 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.443 -15.166 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.042 -11.690 6.484 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.337 -13.804 6.456 1.00 0.00 H new ATOM 475 N CYS A 33 -5.867 -12.427 0.190 1.00 0.00 N ATOM 476 CA CYS A 33 -5.268 -12.131 -1.144 1.00 0.00 C ATOM 477 C CYS A 33 -5.608 -13.259 -2.120 1.00 0.00 C ATOM 478 O CYS A 33 -5.880 -13.026 -3.271 1.00 0.00 O ATOM 479 CB CYS A 33 -3.752 -12.022 -0.877 1.00 0.00 C ATOM 480 SG CYS A 33 -2.786 -13.037 -2.036 1.00 0.00 S ATOM 0 H CYS A 33 -5.258 -12.250 0.989 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.648 -11.216 -1.598 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.442 -10.980 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.540 -12.336 0.145 1.00 0.00 H new ATOM 485 N SER A 34 -5.574 -14.475 -1.657 1.00 0.00 N ATOM 486 CA SER A 34 -5.885 -15.641 -2.546 1.00 0.00 C ATOM 487 C SER A 34 -7.375 -15.653 -2.918 1.00 0.00 C ATOM 488 O SER A 34 -8.142 -16.466 -2.442 1.00 0.00 O ATOM 489 CB SER A 34 -5.533 -16.873 -1.714 1.00 0.00 C ATOM 490 OG SER A 34 -6.089 -16.734 -0.413 1.00 0.00 O ATOM 0 H SER A 34 -5.343 -14.719 -0.694 1.00 0.00 H new ATOM 0 HA SER A 34 -5.328 -15.603 -3.482 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.919 -17.773 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.451 -16.986 -1.650 1.00 0.00 H new ATOM 0 HG SER A 34 -7.066 -16.703 -0.477 1.00 0.00 H new ATOM 496 N SER A 35 -7.778 -14.753 -3.769 1.00 0.00 N ATOM 497 CA SER A 35 -9.196 -14.675 -4.202 1.00 0.00 C ATOM 498 C SER A 35 -9.295 -13.628 -5.311 1.00 0.00 C ATOM 499 O SER A 35 -10.007 -13.786 -6.283 1.00 0.00 O ATOM 500 CB SER A 35 -9.973 -14.232 -2.963 1.00 0.00 C ATOM 501 OG SER A 35 -9.369 -13.063 -2.423 1.00 0.00 O ATOM 0 H SER A 35 -7.168 -14.053 -4.191 1.00 0.00 H new ATOM 0 HA SER A 35 -9.586 -15.617 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.012 -14.031 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.979 -15.029 -2.219 1.00 0.00 H new ATOM 0 HG SER A 35 -8.879 -13.295 -1.607 1.00 0.00 H new ATOM 507 N ARG A 36 -8.565 -12.553 -5.154 1.00 0.00 N ATOM 508 CA ARG A 36 -8.579 -11.462 -6.174 1.00 0.00 C ATOM 509 C ARG A 36 -7.147 -10.975 -6.441 1.00 0.00 C ATOM 510 O ARG A 36 -6.927 -10.077 -7.229 1.00 0.00 O ATOM 511 CB ARG A 36 -9.405 -10.326 -5.552 1.00 0.00 C ATOM 512 CG ARG A 36 -10.499 -10.893 -4.639 1.00 0.00 C ATOM 513 CD ARG A 36 -11.354 -9.748 -4.093 1.00 0.00 C ATOM 514 NE ARG A 36 -12.709 -9.977 -4.666 1.00 0.00 N ATOM 515 CZ ARG A 36 -13.387 -11.039 -4.330 1.00 0.00 C ATOM 516 NH1 ARG A 36 -13.089 -11.684 -3.236 1.00 0.00 N ATOM 517 NH2 ARG A 36 -14.363 -11.458 -5.089 1.00 0.00 N ATOM 0 H ARG A 36 -7.954 -12.384 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.998 -11.800 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.753 -9.665 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.857 -9.724 -6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.123 -11.594 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.049 -11.449 -3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.379 -9.758 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.956 -8.779 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.107 -9.304 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.326 -11.358 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.619 -12.515 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.595 -10.955 -5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.893 -12.289 -4.826 1.00 0.00 H new ATOM 531 N GLY A 37 -6.174 -11.548 -5.780 1.00 0.00 N ATOM 532 CA GLY A 37 -4.764 -11.104 -5.986 1.00 0.00 C ATOM 533 C GLY A 37 -4.167 -10.727 -4.629 1.00 0.00 C ATOM 534 O GLY A 37 -4.642 -11.155 -3.600 1.00 0.00 O ATOM 0 H GLY A 37 -6.296 -12.304 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.180 -11.900 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.731 -10.251 -6.664 1.00 0.00 H new ATOM 538 N LYS A 38 -3.151 -9.914 -4.597 1.00 0.00 N ATOM 539 CA LYS A 38 -2.584 -9.527 -3.277 1.00 0.00 C ATOM 540 C LYS A 38 -3.287 -8.265 -2.805 1.00 0.00 C ATOM 541 O LYS A 38 -4.378 -7.951 -3.237 1.00 0.00 O ATOM 542 CB LYS A 38 -1.099 -9.239 -3.511 1.00 0.00 C ATOM 543 CG LYS A 38 -0.527 -10.197 -4.558 1.00 0.00 C ATOM 544 CD LYS A 38 -0.858 -11.638 -4.172 1.00 0.00 C ATOM 545 CE LYS A 38 0.256 -12.566 -4.662 1.00 0.00 C ATOM 546 NZ LYS A 38 -0.446 -13.665 -5.381 1.00 0.00 N ATOM 0 H LYS A 38 -2.694 -9.506 -5.413 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.714 -10.307 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.970 -8.209 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.550 -9.344 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.942 -9.969 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.553 -10.069 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.965 -11.721 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.811 -11.933 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.946 -12.040 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.843 -12.952 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.253 -14.343 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.091 -14.152 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.991 -13.269 -6.173 1.00 0.00 H new ATOM 560 N VAL A 39 -2.660 -7.519 -1.955 1.00 0.00 N ATOM 561 CA VAL A 39 -3.283 -6.255 -1.498 1.00 0.00 C ATOM 562 C VAL A 39 -2.615 -5.109 -2.250 1.00 0.00 C ATOM 563 O VAL A 39 -2.221 -5.248 -3.390 1.00 0.00 O ATOM 564 CB VAL A 39 -2.988 -6.151 0.007 1.00 0.00 C ATOM 565 CG1 VAL A 39 -4.062 -5.298 0.681 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.980 -7.541 0.647 1.00 0.00 C ATOM 0 H VAL A 39 -1.745 -7.726 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.357 -6.220 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.009 -5.691 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.852 -5.225 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.063 -4.300 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.038 -5.760 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.770 -7.450 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.954 -8.011 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.211 -8.154 0.177 1.00 0.00 H new ATOM 576 N VAL A 40 -2.444 -4.004 -1.604 1.00 0.00 N ATOM 577 CA VAL A 40 -1.762 -2.847 -2.228 1.00 0.00 C ATOM 578 C VAL A 40 -1.350 -1.940 -1.093 1.00 0.00 C ATOM 579 O VAL A 40 -2.166 -1.309 -0.452 1.00 0.00 O ATOM 580 CB VAL A 40 -2.769 -2.161 -3.137 1.00 0.00 C ATOM 581 CG1 VAL A 40 -2.159 -0.847 -3.613 1.00 0.00 C ATOM 582 CG2 VAL A 40 -3.057 -3.051 -4.346 1.00 0.00 C ATOM 0 H VAL A 40 -2.755 -3.847 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.889 -3.125 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.699 -1.978 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.864 -0.335 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.939 -0.215 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.238 -1.050 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.779 -2.558 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.133 -3.227 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.465 -4.004 -4.008 1.00 0.00 H new ATOM 592 N GLU A 41 -0.102 -1.935 -0.788 1.00 0.00 N ATOM 593 CA GLU A 41 0.355 -1.142 0.370 1.00 0.00 C ATOM 594 C GLU A 41 1.512 -0.220 -0.021 1.00 0.00 C ATOM 595 O GLU A 41 2.662 -0.490 0.263 1.00 0.00 O ATOM 596 CB GLU A 41 0.795 -2.202 1.387 1.00 0.00 C ATOM 597 CG GLU A 41 -0.072 -3.462 1.236 1.00 0.00 C ATOM 598 CD GLU A 41 0.522 -4.344 0.133 1.00 0.00 C ATOM 599 OE1 GLU A 41 1.734 -4.358 0.002 1.00 0.00 O ATOM 600 OE2 GLU A 41 -0.243 -4.980 -0.570 1.00 0.00 O ATOM 0 H GLU A 41 0.627 -2.444 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.417 -0.483 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.845 -2.452 1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.705 -1.807 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.108 -4.010 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.097 -3.187 0.987 1.00 0.00 H new ATOM 607 N LEU A 42 1.209 0.872 -0.666 1.00 0.00 N ATOM 608 CA LEU A 42 2.282 1.824 -1.070 1.00 0.00 C ATOM 609 C LEU A 42 2.642 2.711 0.124 1.00 0.00 C ATOM 610 O LEU A 42 2.208 2.476 1.234 1.00 0.00 O ATOM 611 CB LEU A 42 1.697 2.689 -2.202 1.00 0.00 C ATOM 612 CG LEU A 42 0.621 1.932 -2.989 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.756 2.484 -2.622 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.858 2.137 -4.482 1.00 0.00 C ATOM 0 H LEU A 42 0.263 1.147 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 42 3.181 1.302 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.269 3.599 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.496 2.995 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 42 0.668 0.870 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.524 1.948 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.927 2.354 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.801 3.544 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.096 1.601 -5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.804 3.200 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.844 1.756 -4.750 1.00 0.00 H new ATOM 626 N GLY A 43 3.419 3.736 -0.093 1.00 0.00 N ATOM 627 CA GLY A 43 3.782 4.639 1.047 1.00 0.00 C ATOM 628 C GLY A 43 5.055 5.431 0.723 1.00 0.00 C ATOM 629 O GLY A 43 5.233 5.911 -0.377 1.00 0.00 O ATOM 0 H GLY A 43 3.817 3.990 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.961 5.327 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.934 4.049 1.951 1.00 0.00 H new ATOM 633 N CYS A 44 5.939 5.587 1.678 1.00 0.00 N ATOM 634 CA CYS A 44 7.189 6.353 1.417 1.00 0.00 C ATOM 635 C CYS A 44 8.410 5.447 1.553 1.00 0.00 C ATOM 636 O CYS A 44 8.338 4.358 2.088 1.00 0.00 O ATOM 637 CB CYS A 44 7.238 7.426 2.495 1.00 0.00 C ATOM 638 SG CYS A 44 5.840 8.559 2.312 1.00 0.00 S ATOM 0 H CYS A 44 5.846 5.216 2.624 1.00 0.00 H new ATOM 0 HA CYS A 44 7.197 6.770 0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.213 6.962 3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.175 7.979 2.426 1.00 0.00 H new ATOM 643 N ALA A 45 9.532 5.898 1.079 1.00 0.00 N ATOM 644 CA ALA A 45 10.770 5.087 1.180 1.00 0.00 C ATOM 645 C ALA A 45 11.986 5.913 0.755 1.00 0.00 C ATOM 646 O ALA A 45 11.888 6.807 -0.063 1.00 0.00 O ATOM 647 CB ALA A 45 10.561 3.909 0.232 1.00 0.00 C ATOM 0 H ALA A 45 9.645 6.803 0.622 1.00 0.00 H new ATOM 0 HA ALA A 45 10.957 4.755 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.439 3.264 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.685 3.341 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.409 4.280 -0.782 1.00 0.00 H new ATOM 653 N ALA A 46 13.133 5.618 1.305 1.00 0.00 N ATOM 654 CA ALA A 46 14.357 6.381 0.933 1.00 0.00 C ATOM 655 C ALA A 46 14.721 6.111 -0.529 1.00 0.00 C ATOM 656 O ALA A 46 15.258 6.958 -1.214 1.00 0.00 O ATOM 657 CB ALA A 46 15.450 5.853 1.864 1.00 0.00 C ATOM 0 H ALA A 46 13.274 4.881 1.996 1.00 0.00 H new ATOM 0 HA ALA A 46 14.221 7.458 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.388 6.367 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.163 6.033 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.579 4.783 1.703 1.00 0.00 H new ATOM 663 N THR A 47 14.429 4.934 -1.011 1.00 0.00 N ATOM 664 CA THR A 47 14.753 4.600 -2.427 1.00 0.00 C ATOM 665 C THR A 47 14.099 3.271 -2.812 1.00 0.00 C ATOM 666 O THR A 47 13.928 2.398 -1.986 1.00 0.00 O ATOM 667 CB THR A 47 16.277 4.480 -2.467 1.00 0.00 C ATOM 668 OG1 THR A 47 16.697 4.251 -3.805 1.00 0.00 O ATOM 669 CG2 THR A 47 16.722 3.314 -1.583 1.00 0.00 C ATOM 0 H THR A 47 13.978 4.187 -0.483 1.00 0.00 H new ATOM 0 HA THR A 47 14.387 5.352 -3.126 1.00 0.00 H new ATOM 0 HB THR A 47 16.725 5.403 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.674 4.176 -3.833 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.808 3.229 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.399 3.491 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.276 2.389 -1.949 1.00 0.00 H new ATOM 677 N CYS A 48 13.731 3.113 -4.058 1.00 0.00 N ATOM 678 CA CYS A 48 13.084 1.839 -4.496 1.00 0.00 C ATOM 679 C CYS A 48 13.764 0.641 -3.825 1.00 0.00 C ATOM 680 O CYS A 48 14.805 0.192 -4.261 1.00 0.00 O ATOM 681 CB CYS A 48 13.288 1.789 -6.011 1.00 0.00 C ATOM 682 SG CYS A 48 12.571 3.269 -6.769 1.00 0.00 S ATOM 0 H CYS A 48 13.851 3.812 -4.791 1.00 0.00 H new ATOM 0 HA CYS A 48 12.029 1.799 -4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.351 1.728 -6.243 1.00 0.00 H new ATOM 0 HB3 CYS A 48 12.820 0.894 -6.422 1.00 0.00 H new ATOM 687 N PRO A 49 13.148 0.171 -2.774 1.00 0.00 N ATOM 688 CA PRO A 49 13.697 -0.977 -2.020 1.00 0.00 C ATOM 689 C PRO A 49 13.312 -2.298 -2.691 1.00 0.00 C ATOM 690 O PRO A 49 12.308 -2.392 -3.368 1.00 0.00 O ATOM 691 CB PRO A 49 13.027 -0.854 -0.656 1.00 0.00 C ATOM 692 CG PRO A 49 11.751 -0.103 -0.898 1.00 0.00 C ATOM 693 CD PRO A 49 11.895 0.662 -2.194 1.00 0.00 C ATOM 0 HA PRO A 49 14.786 -0.971 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.828 -1.836 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.667 -0.322 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.909 -0.792 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.549 0.580 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.051 0.478 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.934 1.737 -2.018 1.00 0.00 H new ATOM 701 N SER A 50 14.098 -3.321 -2.498 1.00 0.00 N ATOM 702 CA SER A 50 13.772 -4.638 -3.115 1.00 0.00 C ATOM 703 C SER A 50 14.660 -5.736 -2.533 1.00 0.00 C ATOM 704 O SER A 50 15.872 -5.674 -2.592 1.00 0.00 O ATOM 705 CB SER A 50 14.031 -4.465 -4.609 1.00 0.00 C ATOM 706 OG SER A 50 15.038 -5.378 -5.028 1.00 0.00 O ATOM 0 H SER A 50 14.952 -3.302 -1.940 1.00 0.00 H new ATOM 0 HA SER A 50 12.741 -4.934 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.113 -4.638 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.344 -3.442 -4.818 1.00 0.00 H new ATOM 0 HG SER A 50 15.202 -5.266 -5.988 1.00 0.00 H new ATOM 712 N LYS A 51 14.056 -6.743 -1.975 1.00 0.00 N ATOM 713 CA LYS A 51 14.843 -7.863 -1.384 1.00 0.00 C ATOM 714 C LYS A 51 13.906 -9.008 -0.993 1.00 0.00 C ATOM 715 O LYS A 51 13.852 -9.415 0.150 1.00 0.00 O ATOM 716 CB LYS A 51 15.514 -7.269 -0.146 1.00 0.00 C ATOM 717 CG LYS A 51 17.017 -7.132 -0.397 1.00 0.00 C ATOM 718 CD LYS A 51 17.725 -8.421 0.024 1.00 0.00 C ATOM 719 CE LYS A 51 18.325 -9.101 -1.209 1.00 0.00 C ATOM 720 NZ LYS A 51 19.463 -8.229 -1.613 1.00 0.00 N ATOM 0 H LYS A 51 13.044 -6.842 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 51 15.574 -8.271 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.082 -6.295 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.336 -7.908 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.203 -6.930 -1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.414 -6.286 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.510 -8.198 0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 51 17.020 -9.092 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.664 -10.111 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.590 -9.187 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.275 -7.826 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.573 -7.459 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.337 -8.792 -1.646 1.00 0.00 H new ATOM 734 N LYS A 52 13.164 -9.528 -1.931 1.00 0.00 N ATOM 735 CA LYS A 52 12.229 -10.641 -1.611 1.00 0.00 C ATOM 736 C LYS A 52 11.658 -11.223 -2.903 1.00 0.00 C ATOM 737 O LYS A 52 10.783 -10.641 -3.513 1.00 0.00 O ATOM 738 CB LYS A 52 11.121 -10.005 -0.771 1.00 0.00 C ATOM 739 CG LYS A 52 11.323 -10.366 0.701 1.00 0.00 C ATOM 740 CD LYS A 52 11.557 -9.091 1.514 1.00 0.00 C ATOM 741 CE LYS A 52 12.267 -9.443 2.823 1.00 0.00 C ATOM 742 NZ LYS A 52 11.243 -10.159 3.634 1.00 0.00 N ATOM 0 H LYS A 52 13.165 -9.229 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 52 12.719 -11.456 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.132 -8.922 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.146 -10.355 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.449 -10.895 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.174 -11.039 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.159 -8.386 0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.606 -8.601 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.139 -10.072 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.620 -8.547 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.573 -10.239 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.349 -9.629 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.092 -11.110 3.241 1.00 0.00 H new ATOM 756 N PRO A 53 12.179 -12.355 -3.277 1.00 0.00 N ATOM 757 CA PRO A 53 11.724 -13.036 -4.515 1.00 0.00 C ATOM 758 C PRO A 53 10.262 -13.507 -4.415 1.00 0.00 C ATOM 759 O PRO A 53 9.721 -14.058 -5.353 1.00 0.00 O ATOM 760 CB PRO A 53 12.690 -14.211 -4.646 1.00 0.00 C ATOM 761 CG PRO A 53 13.183 -14.454 -3.259 1.00 0.00 C ATOM 762 CD PRO A 53 13.237 -13.105 -2.595 1.00 0.00 C ATOM 0 HA PRO A 53 11.735 -12.377 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.190 -15.092 -5.048 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.511 -13.975 -5.322 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.516 -15.127 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.167 -14.922 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.054 -13.176 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.211 -12.633 -2.721 1.00 0.00 H new ATOM 770 N TYR A 54 9.611 -13.284 -3.303 1.00 0.00 N ATOM 771 CA TYR A 54 8.180 -13.711 -3.178 1.00 0.00 C ATOM 772 C TYR A 54 7.295 -12.490 -2.908 1.00 0.00 C ATOM 773 O TYR A 54 6.093 -12.601 -2.768 1.00 0.00 O ATOM 774 CB TYR A 54 8.107 -14.700 -1.997 1.00 0.00 C ATOM 775 CG TYR A 54 9.274 -14.501 -1.058 1.00 0.00 C ATOM 776 CD1 TYR A 54 10.551 -14.910 -1.447 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.079 -13.904 0.193 1.00 0.00 C ATOM 778 CE1 TYR A 54 11.636 -14.725 -0.590 1.00 0.00 C ATOM 779 CE2 TYR A 54 10.166 -13.719 1.054 1.00 0.00 C ATOM 780 CZ TYR A 54 11.446 -14.130 0.663 1.00 0.00 C ATOM 781 OH TYR A 54 12.520 -13.947 1.511 1.00 0.00 O ATOM 0 H TYR A 54 10.003 -12.828 -2.479 1.00 0.00 H new ATOM 0 HA TYR A 54 7.827 -14.182 -4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.171 -14.559 -1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.107 -15.723 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.699 -15.370 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.091 -13.587 0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.623 -15.041 -0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.018 -13.259 2.020 1.00 0.00 H new ATOM 0 HH TYR A 54 12.214 -13.520 2.338 1.00 0.00 H new ATOM 791 N GLU A 55 7.881 -11.324 -2.843 1.00 0.00 N ATOM 792 CA GLU A 55 7.074 -10.095 -2.593 1.00 0.00 C ATOM 793 C GLU A 55 7.100 -9.197 -3.833 1.00 0.00 C ATOM 794 O GLU A 55 7.408 -9.639 -4.922 1.00 0.00 O ATOM 795 CB GLU A 55 7.754 -9.400 -1.413 1.00 0.00 C ATOM 796 CG GLU A 55 7.627 -10.274 -0.163 1.00 0.00 C ATOM 797 CD GLU A 55 7.661 -9.390 1.084 1.00 0.00 C ATOM 798 OE1 GLU A 55 8.571 -8.585 1.192 1.00 0.00 O ATOM 799 OE2 GLU A 55 6.775 -9.532 1.911 1.00 0.00 O ATOM 0 H GLU A 55 8.883 -11.170 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 55 6.029 -10.321 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.805 -9.221 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.296 -8.427 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.696 -10.840 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.440 -10.999 -0.130 1.00 0.00 H new ATOM 806 N GLU A 56 6.781 -7.941 -3.681 1.00 0.00 N ATOM 807 CA GLU A 56 6.792 -7.029 -4.860 1.00 0.00 C ATOM 808 C GLU A 56 6.623 -5.575 -4.414 1.00 0.00 C ATOM 809 O GLU A 56 5.676 -5.229 -3.737 1.00 0.00 O ATOM 810 CB GLU A 56 5.598 -7.469 -5.707 1.00 0.00 C ATOM 811 CG GLU A 56 6.045 -7.658 -7.158 1.00 0.00 C ATOM 812 CD GLU A 56 5.837 -6.354 -7.930 1.00 0.00 C ATOM 813 OE1 GLU A 56 6.384 -5.348 -7.511 1.00 0.00 O ATOM 814 OE2 GLU A 56 5.134 -6.384 -8.926 1.00 0.00 O ATOM 0 H GLU A 56 6.515 -7.508 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 56 7.731 -7.082 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.186 -8.400 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.806 -6.722 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.095 -7.949 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.476 -8.463 -7.623 1.00 0.00 H new ATOM 821 N VAL A 57 7.531 -4.718 -4.794 1.00 0.00 N ATOM 822 CA VAL A 57 7.414 -3.286 -4.396 1.00 0.00 C ATOM 823 C VAL A 57 7.727 -2.381 -5.592 1.00 0.00 C ATOM 824 O VAL A 57 8.314 -2.806 -6.567 1.00 0.00 O ATOM 825 CB VAL A 57 8.435 -3.091 -3.273 1.00 0.00 C ATOM 826 CG1 VAL A 57 9.736 -3.810 -3.629 1.00 0.00 C ATOM 827 CG2 VAL A 57 8.711 -1.597 -3.087 1.00 0.00 C ATOM 0 H VAL A 57 8.347 -4.947 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 57 6.408 -3.029 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 57 8.036 -3.505 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.461 -3.669 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.540 -4.874 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.136 -3.400 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.438 -1.458 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.107 -1.182 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.784 -1.085 -2.828 1.00 0.00 H new ATOM 837 N THR A 58 7.336 -1.136 -5.526 1.00 0.00 N ATOM 838 CA THR A 58 7.607 -0.209 -6.659 1.00 0.00 C ATOM 839 C THR A 58 7.959 1.176 -6.123 1.00 0.00 C ATOM 840 O THR A 58 8.267 1.340 -4.960 1.00 0.00 O ATOM 841 CB THR A 58 6.302 -0.161 -7.456 1.00 0.00 C ATOM 842 OG1 THR A 58 5.551 -1.340 -7.204 1.00 0.00 O ATOM 843 CG2 THR A 58 6.618 -0.064 -8.949 1.00 0.00 C ATOM 0 H THR A 58 6.841 -0.723 -4.736 1.00 0.00 H new ATOM 0 HA THR A 58 8.444 -0.538 -7.274 1.00 0.00 H new ATOM 0 HB THR A 58 5.722 0.711 -7.152 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.714 -1.310 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.688 -0.030 -9.516 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.194 0.841 -9.141 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.198 -0.934 -9.255 1.00 0.00 H new ATOM 851 N CYS A 59 7.906 2.177 -6.955 1.00 0.00 N ATOM 852 CA CYS A 59 8.233 3.547 -6.475 1.00 0.00 C ATOM 853 C CYS A 59 7.267 4.574 -7.034 1.00 0.00 C ATOM 854 O CYS A 59 6.352 4.270 -7.773 1.00 0.00 O ATOM 855 CB CYS A 59 9.615 3.862 -7.022 1.00 0.00 C ATOM 856 SG CYS A 59 10.861 3.577 -5.740 1.00 0.00 S ATOM 0 H CYS A 59 7.652 2.107 -7.940 1.00 0.00 H new ATOM 0 HA CYS A 59 8.178 3.584 -5.387 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.824 3.237 -7.890 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.656 4.898 -7.358 1.00 0.00 H new ATOM 861 N CYS A 60 7.508 5.800 -6.699 1.00 0.00 N ATOM 862 CA CYS A 60 6.662 6.907 -7.211 1.00 0.00 C ATOM 863 C CYS A 60 7.364 8.244 -6.932 1.00 0.00 C ATOM 864 O CYS A 60 7.777 8.517 -5.826 1.00 0.00 O ATOM 865 CB CYS A 60 5.318 6.747 -6.468 1.00 0.00 C ATOM 866 SG CYS A 60 4.654 8.339 -5.888 1.00 0.00 S ATOM 0 H CYS A 60 8.267 6.091 -6.082 1.00 0.00 H new ATOM 0 HA CYS A 60 6.495 6.884 -8.288 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.593 6.274 -7.131 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.454 6.081 -5.616 1.00 0.00 H new ATOM 871 N SER A 61 7.526 9.069 -7.933 1.00 0.00 N ATOM 872 CA SER A 61 8.229 10.368 -7.714 1.00 0.00 C ATOM 873 C SER A 61 7.332 11.563 -8.067 1.00 0.00 C ATOM 874 O SER A 61 7.527 12.656 -7.575 1.00 0.00 O ATOM 875 CB SER A 61 9.437 10.319 -8.648 1.00 0.00 C ATOM 876 OG SER A 61 9.038 10.722 -9.951 1.00 0.00 O ATOM 0 H SER A 61 7.205 8.902 -8.886 1.00 0.00 H new ATOM 0 HA SER A 61 8.509 10.499 -6.669 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.225 10.974 -8.277 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.849 9.310 -8.677 1.00 0.00 H new ATOM 0 HG SER A 61 9.811 10.694 -10.553 1.00 0.00 H new ATOM 882 N THR A 62 6.352 11.373 -8.910 1.00 0.00 N ATOM 883 CA THR A 62 5.461 12.513 -9.275 1.00 0.00 C ATOM 884 C THR A 62 4.543 12.861 -8.100 1.00 0.00 C ATOM 885 O THR A 62 4.612 12.260 -7.047 1.00 0.00 O ATOM 886 CB THR A 62 4.644 12.013 -10.467 1.00 0.00 C ATOM 887 OG1 THR A 62 5.409 11.064 -11.198 1.00 0.00 O ATOM 888 CG2 THR A 62 4.285 13.191 -11.374 1.00 0.00 C ATOM 0 H THR A 62 6.131 10.484 -9.359 1.00 0.00 H new ATOM 0 HA THR A 62 6.022 13.416 -9.518 1.00 0.00 H new ATOM 0 HB THR A 62 3.728 11.543 -10.109 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.886 10.741 -11.962 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.703 12.832 -12.223 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.698 13.917 -10.812 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.198 13.664 -11.734 1.00 0.00 H new ATOM 896 N ASP A 63 3.680 13.825 -8.270 1.00 0.00 N ATOM 897 CA ASP A 63 2.758 14.199 -7.159 1.00 0.00 C ATOM 898 C ASP A 63 1.783 13.051 -6.891 1.00 0.00 C ATOM 899 O ASP A 63 1.066 12.619 -7.772 1.00 0.00 O ATOM 900 CB ASP A 63 2.010 15.434 -7.663 1.00 0.00 C ATOM 901 CG ASP A 63 2.913 16.663 -7.544 1.00 0.00 C ATOM 902 OD1 ASP A 63 4.120 16.496 -7.612 1.00 0.00 O ATOM 903 OD2 ASP A 63 2.383 17.750 -7.386 1.00 0.00 O ATOM 0 H ASP A 63 3.573 14.368 -9.127 1.00 0.00 H new ATOM 0 HA ASP A 63 3.285 14.400 -6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.708 15.291 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.099 15.582 -7.083 1.00 0.00 H new ATOM 908 N LYS A 64 1.750 12.546 -5.687 1.00 0.00 N ATOM 909 CA LYS A 64 0.820 11.423 -5.384 1.00 0.00 C ATOM 910 C LYS A 64 0.869 10.386 -6.511 1.00 0.00 C ATOM 911 O LYS A 64 -0.135 10.062 -7.114 1.00 0.00 O ATOM 912 CB LYS A 64 -0.565 12.067 -5.308 1.00 0.00 C ATOM 913 CG LYS A 64 -0.520 13.266 -4.359 1.00 0.00 C ATOM 914 CD LYS A 64 -1.941 13.624 -3.919 1.00 0.00 C ATOM 915 CE LYS A 64 -2.220 15.094 -4.239 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.226 15.063 -5.336 1.00 0.00 N ATOM 0 H LYS A 64 2.324 12.861 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 64 1.079 10.905 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.884 12.387 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.297 11.340 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.093 13.031 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.056 14.119 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.663 12.986 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.058 13.445 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.603 15.622 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.312 15.610 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.469 16.036 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.831 14.560 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.082 14.572 -5.008 1.00 0.00 H new ATOM 930 N CYS A 65 2.028 9.853 -6.791 1.00 0.00 N ATOM 931 CA CYS A 65 2.124 8.822 -7.875 1.00 0.00 C ATOM 932 C CYS A 65 1.968 7.421 -7.280 1.00 0.00 C ATOM 933 O CYS A 65 2.509 6.455 -7.781 1.00 0.00 O ATOM 934 CB CYS A 65 3.480 8.981 -8.591 1.00 0.00 C ATOM 935 SG CYS A 65 4.773 9.564 -7.474 1.00 0.00 S ATOM 0 H CYS A 65 2.906 10.081 -6.324 1.00 0.00 H new ATOM 0 HA CYS A 65 1.323 8.962 -8.601 1.00 0.00 H new ATOM 0 HB2 CYS A 65 3.777 8.024 -9.021 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.373 9.683 -9.418 1.00 0.00 H new ATOM 940 N ASN A 66 1.205 7.306 -6.223 1.00 0.00 N ATOM 941 CA ASN A 66 0.974 5.972 -5.598 1.00 0.00 C ATOM 942 C ASN A 66 -0.498 5.528 -5.771 1.00 0.00 C ATOM 943 O ASN A 66 -1.031 4.867 -4.901 1.00 0.00 O ATOM 944 CB ASN A 66 1.274 6.190 -4.110 1.00 0.00 C ATOM 945 CG ASN A 66 2.555 5.463 -3.714 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.697 5.025 -2.590 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.503 5.325 -4.590 1.00 0.00 N ATOM 0 H ASN A 66 0.730 8.084 -5.765 1.00 0.00 H new ATOM 0 HA ASN A 66 1.594 5.198 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.375 7.256 -3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.441 5.827 -3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.368 4.848 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.383 5.693 -5.534 1.00 0.00 H new ATOM 954 N PRO A 67 -1.129 5.912 -6.868 1.00 0.00 N ATOM 955 CA PRO A 67 -2.552 5.541 -7.083 1.00 0.00 C ATOM 956 C PRO A 67 -2.701 4.090 -7.553 1.00 0.00 C ATOM 957 O PRO A 67 -2.566 3.791 -8.723 1.00 0.00 O ATOM 958 CB PRO A 67 -3.008 6.483 -8.190 1.00 0.00 C ATOM 959 CG PRO A 67 -1.766 6.834 -8.941 1.00 0.00 C ATOM 960 CD PRO A 67 -0.608 6.712 -7.986 1.00 0.00 C ATOM 0 HA PRO A 67 -3.132 5.623 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.739 6.002 -8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.484 7.373 -7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.632 6.167 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.831 7.848 -9.337 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.245 6.224 -8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.269 7.691 -7.648 1.00 0.00 H new ATOM 968 N HIS A 68 -3.023 3.196 -6.662 1.00 0.00 N ATOM 969 CA HIS A 68 -3.231 1.779 -7.074 1.00 0.00 C ATOM 970 C HIS A 68 -4.674 1.643 -7.571 1.00 0.00 C ATOM 971 O HIS A 68 -5.430 2.587 -7.475 1.00 0.00 O ATOM 972 CB HIS A 68 -3.001 0.968 -5.795 1.00 0.00 C ATOM 973 CG HIS A 68 -4.113 1.230 -4.818 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.264 0.458 -4.775 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.258 2.174 -3.835 1.00 0.00 C ATOM 976 CE1 HIS A 68 -6.046 0.951 -3.797 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.480 1.998 -3.191 1.00 0.00 N ATOM 0 H HIS A 68 -3.151 3.384 -5.668 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.570 1.442 -7.872 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.955 -0.095 -6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.043 1.237 -5.350 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.479 -0.338 -5.375 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.534 2.939 -3.596 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.013 0.549 -3.534 1.00 0.00 H new ATOM 985 N PRO A 69 -5.035 0.491 -8.079 1.00 0.00 N ATOM 986 CA PRO A 69 -6.425 0.305 -8.565 1.00 0.00 C ATOM 987 C PRO A 69 -7.392 0.462 -7.393 1.00 0.00 C ATOM 988 O PRO A 69 -7.743 -0.487 -6.721 1.00 0.00 O ATOM 989 CB PRO A 69 -6.421 -1.113 -9.137 1.00 0.00 C ATOM 990 CG PRO A 69 -5.286 -1.790 -8.444 1.00 0.00 C ATOM 991 CD PRO A 69 -4.235 -0.729 -8.244 1.00 0.00 C ATOM 0 HA PRO A 69 -6.743 1.031 -9.313 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.365 -1.622 -8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.279 -1.105 -10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.605 -2.209 -7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.899 -2.615 -9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -3.618 -0.930 -7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.562 -0.659 -9.099 1.00 0.00 H new ATOM 999 N LYS A 70 -7.801 1.675 -7.137 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.721 1.942 -6.000 1.00 0.00 C ATOM 1001 C LYS A 70 -10.173 1.662 -6.395 1.00 0.00 C ATOM 1002 O LYS A 70 -10.686 0.584 -6.182 1.00 0.00 O ATOM 1003 CB LYS A 70 -8.522 3.428 -5.693 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.067 3.681 -5.292 1.00 0.00 C ATOM 1005 CD LYS A 70 -6.490 4.809 -6.150 1.00 0.00 C ATOM 1006 CE LYS A 70 -7.380 6.049 -6.030 1.00 0.00 C ATOM 1007 NZ LYS A 70 -7.999 6.213 -7.375 1.00 0.00 N ATOM 0 H LYS A 70 -7.533 2.500 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.512 1.306 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.778 4.027 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.190 3.736 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.011 3.947 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.479 2.773 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.476 5.044 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.428 4.493 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.140 5.916 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.797 6.928 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.614 7.064 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.786 5.379 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.029 6.311 -7.273 1.00 0.00 H new ATOM 1021 N GLN A 71 -10.841 2.628 -6.958 1.00 0.00 N ATOM 1022 CA GLN A 71 -12.261 2.419 -7.352 1.00 0.00 C ATOM 1023 C GLN A 71 -12.346 1.945 -8.805 1.00 0.00 C ATOM 1024 O GLN A 71 -12.865 2.631 -9.663 1.00 0.00 O ATOM 1025 CB GLN A 71 -12.913 3.791 -7.186 1.00 0.00 C ATOM 1026 CG GLN A 71 -13.139 4.070 -5.700 1.00 0.00 C ATOM 1027 CD GLN A 71 -12.216 5.201 -5.253 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -11.146 4.920 -4.564 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -12.471 6.356 -5.536 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.465 3.554 -7.163 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.755 1.657 -6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.277 4.563 -7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.862 3.822 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.179 4.343 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.942 3.171 -5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.308 6.576 -6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.847 7.105 -5.234 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.325 -3.877 2.551 1.00 0.00 N ATOM 1105 CA ARG B 2 -8.886 -3.665 2.219 1.00 0.00 C ATOM 1106 C ARG B 2 -8.741 -2.785 0.989 1.00 0.00 C ATOM 1107 O ARG B 2 -9.610 -2.732 0.145 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.331 -5.057 1.880 1.00 0.00 C ATOM 1109 CG ARG B 2 -7.524 -5.591 3.065 1.00 0.00 C ATOM 1110 CD ARG B 2 -6.091 -5.059 2.993 1.00 0.00 C ATOM 1111 NE ARG B 2 -5.811 -4.522 4.353 1.00 0.00 N ATOM 1112 CZ ARG B 2 -4.834 -5.018 5.062 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -3.598 -4.725 4.764 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -5.092 -5.808 6.068 1.00 0.00 N ATOM 0 HA ARG B 2 -8.365 -3.184 3.047 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.149 -5.739 1.647 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.700 -5.002 0.993 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -7.989 -5.285 4.002 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.519 -6.681 3.053 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -5.389 -5.850 2.729 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.996 -4.282 2.235 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.383 -3.766 4.731 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.396 -4.108 3.977 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -2.834 -5.112 5.318 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -6.058 -6.038 6.301 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.328 -6.195 6.621 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.604 -2.177 0.835 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.360 -1.394 -0.399 1.00 0.00 C ATOM 1130 C TYR B 3 -6.613 -2.359 -1.277 1.00 0.00 C ATOM 1131 O TYR B 3 -5.444 -2.207 -1.556 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.463 -0.193 -0.062 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.447 0.084 1.418 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -5.547 -0.597 2.244 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -7.317 1.035 1.959 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -5.519 -0.329 3.616 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -7.292 1.303 3.329 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.392 0.622 4.160 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.366 0.887 5.514 1.00 0.00 O ATOM 0 H TYR B 3 -6.837 -2.188 1.507 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.268 -1.009 -0.863 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.448 -0.387 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.818 0.689 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.874 -1.329 1.822 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -8.008 1.562 1.318 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -4.825 -0.854 4.256 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.966 2.035 3.748 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.491 1.255 5.759 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.281 -3.404 -1.645 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.624 -4.456 -2.432 1.00 0.00 C ATOM 1151 C TYR B 4 -6.222 -3.935 -3.791 1.00 0.00 C ATOM 1152 O TYR B 4 -6.277 -2.756 -4.080 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.688 -5.539 -2.600 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.345 -6.746 -1.764 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.644 -6.594 -0.563 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.736 -8.019 -2.193 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.334 -7.719 0.210 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -7.426 -9.143 -1.423 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.725 -8.994 -0.219 1.00 0.00 C ATOM 1160 OH TYR B 4 -6.420 -10.101 0.544 1.00 0.00 O ATOM 0 H TYR B 4 -8.264 -3.572 -1.430 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.720 -4.819 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.662 -5.149 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.763 -5.825 -3.649 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.343 -5.611 -0.233 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -8.278 -8.133 -3.120 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.793 -7.604 1.138 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -7.726 -10.126 -1.756 1.00 0.00 H new ATOM 0 HH TYR B 4 -6.692 -9.944 1.472 1.00 0.00 H new ATOM 1170 N GLU B 5 -5.809 -4.827 -4.615 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.373 -4.442 -5.988 1.00 0.00 C ATOM 1172 C GLU B 5 -6.578 -4.311 -6.929 1.00 0.00 C ATOM 1173 O GLU B 5 -6.438 -4.372 -8.134 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.453 -5.574 -6.445 1.00 0.00 C ATOM 1175 CG GLU B 5 -5.270 -6.852 -6.647 1.00 0.00 C ATOM 1176 CD GLU B 5 -4.922 -7.470 -8.002 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -3.742 -7.592 -8.290 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -5.840 -7.812 -8.729 1.00 0.00 O ATOM 0 H GLU B 5 -5.749 -5.824 -4.407 1.00 0.00 H new ATOM 0 HA GLU B 5 -4.869 -3.475 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.955 -5.298 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -3.672 -5.743 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.059 -7.561 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -6.335 -6.627 -6.601 1.00 0.00 H new ATOM 1185 N SER B 6 -7.759 -4.131 -6.398 1.00 0.00 N ATOM 1186 CA SER B 6 -8.953 -3.998 -7.284 1.00 0.00 C ATOM 1187 C SER B 6 -10.121 -3.326 -6.547 1.00 0.00 C ATOM 1188 O SER B 6 -11.249 -3.378 -6.995 1.00 0.00 O ATOM 1189 CB SER B 6 -9.320 -5.432 -7.664 1.00 0.00 C ATOM 1190 OG SER B 6 -8.975 -5.661 -9.024 1.00 0.00 O ATOM 0 H SER B 6 -7.948 -4.071 -5.397 1.00 0.00 H new ATOM 0 HA SER B 6 -8.741 -3.376 -8.154 1.00 0.00 H new ATOM 0 HB2 SER B 6 -8.794 -6.137 -7.020 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.387 -5.598 -7.515 1.00 0.00 H new ATOM 0 HG SER B 6 -8.056 -5.360 -9.184 1.00 0.00 H new ATOM 1196 N SER B 7 -9.866 -2.691 -5.428 1.00 0.00 N ATOM 1197 CA SER B 7 -10.972 -2.017 -4.674 1.00 0.00 C ATOM 1198 C SER B 7 -10.519 -1.667 -3.252 1.00 0.00 C ATOM 1199 O SER B 7 -9.843 -2.438 -2.600 1.00 0.00 O ATOM 1200 CB SER B 7 -12.111 -3.038 -4.621 1.00 0.00 C ATOM 1201 OG SER B 7 -13.129 -2.652 -5.535 1.00 0.00 O ATOM 0 H SER B 7 -8.942 -2.610 -5.004 1.00 0.00 H new ATOM 0 HA SER B 7 -11.275 -1.087 -5.155 1.00 0.00 H new ATOM 0 HB2 SER B 7 -11.737 -4.031 -4.873 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.516 -3.096 -3.611 1.00 0.00 H new ATOM 0 HG SER B 7 -12.846 -2.866 -6.449 1.00 0.00 H new ATOM 1207 N LEU B 8 -10.896 -0.515 -2.760 1.00 0.00 N ATOM 1208 CA LEU B 8 -10.496 -0.132 -1.374 1.00 0.00 C ATOM 1209 C LEU B 8 -11.678 0.489 -0.628 1.00 0.00 C ATOM 1210 O LEU B 8 -11.512 1.139 0.385 1.00 0.00 O ATOM 1211 CB LEU B 8 -9.362 0.879 -1.530 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.799 2.030 -2.431 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -10.794 2.923 -1.689 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.565 2.846 -2.805 1.00 0.00 C ATOM 0 H LEU B 8 -11.461 0.174 -3.256 1.00 0.00 H new ATOM 0 HA LEU B 8 -10.178 -0.998 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -9.072 1.264 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -8.485 0.390 -1.953 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.279 1.637 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -11.102 3.743 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.668 2.337 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.322 3.327 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -8.858 3.674 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.100 3.237 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -7.854 2.210 -3.332 1.00 0.00 H new