USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 64 HIS : no HD1:sc= -0.0576 K(o=-0.058,f=-1) USER MOD Single : A 86 SER OG : rot 140:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0203 K(o=-0.02,f=-0.91) USER MOD Single : A 102 SER OG : rot 142:sc= -0.66 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -93:sc= 0.632 USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.17) USER MOD Single : A 122 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.6!) USER MOD Single : A 123 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.9!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -92:sc= 0.419 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -2.1 K(o=-2.1,f=-0.017) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -130:sc= -1.43 USER MOD Single : A 140 SER OG : rot -98:sc= 0.00725 USER MOD Single : A 141 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0898) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 66.598 -4.909 13.336 1.00 0.00 N ATOM 2 CA GLY A 54 65.481 -4.179 12.750 1.00 0.00 C ATOM 3 C GLY A 54 64.787 -3.309 13.795 1.00 0.00 C ATOM 4 O GLY A 54 65.194 -3.274 14.956 1.00 0.00 O ATOM 0 HA2 GLY A 54 65.839 -3.554 11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 54 64.766 -4.883 12.324 1.00 0.00 H new ATOM 8 N GLY A 55 63.738 -2.611 13.373 1.00 0.00 N ATOM 9 CA GLY A 55 62.990 -1.743 14.277 1.00 0.00 C ATOM 10 C GLY A 55 63.505 -0.317 14.208 1.00 0.00 C ATOM 11 O GLY A 55 64.629 -0.028 14.619 1.00 0.00 O ATOM 0 H GLY A 55 63.387 -2.629 12.415 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.932 -1.765 14.016 1.00 0.00 H new ATOM 0 HA3 GLY A 55 63.074 -2.115 15.298 1.00 0.00 H new ATOM 15 N ALA A 56 62.671 0.572 13.691 1.00 0.00 N ATOM 16 CA ALA A 56 63.045 1.971 13.576 1.00 0.00 C ATOM 17 C ALA A 56 61.800 2.848 13.514 1.00 0.00 C ATOM 18 O ALA A 56 60.734 2.405 13.089 1.00 0.00 O ATOM 19 CB ALA A 56 63.908 2.186 12.328 1.00 0.00 C ATOM 0 H ALA A 56 61.737 0.351 13.347 1.00 0.00 H new ATOM 0 HA ALA A 56 63.624 2.251 14.456 1.00 0.00 H new ATOM 0 HB1 ALA A 56 64.182 3.238 12.252 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.811 1.580 12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 56 63.345 1.893 11.442 1.00 0.00 H new ATOM 25 N GLU A 57 61.950 4.097 13.937 1.00 0.00 N ATOM 26 CA GLU A 57 60.836 5.046 13.931 1.00 0.00 C ATOM 27 C GLU A 57 60.777 5.806 12.607 1.00 0.00 C ATOM 28 O GLU A 57 60.353 6.961 12.549 1.00 0.00 O ATOM 29 CB GLU A 57 60.981 6.040 15.076 1.00 0.00 C ATOM 30 CG GLU A 57 60.760 5.319 16.406 1.00 0.00 C ATOM 31 CD GLU A 57 60.946 6.287 17.567 1.00 0.00 C ATOM 32 OE1 GLU A 57 61.244 7.441 17.307 1.00 0.00 O ATOM 33 OE2 GLU A 57 60.791 5.860 18.700 1.00 0.00 O ATOM 0 H GLU A 57 62.828 4.479 14.288 1.00 0.00 H new ATOM 0 HA GLU A 57 59.913 4.480 14.056 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.972 6.493 15.056 1.00 0.00 H new ATOM 0 HB3 GLU A 57 60.259 6.849 14.964 1.00 0.00 H new ATOM 0 HG2 GLU A 57 59.757 4.894 16.435 1.00 0.00 H new ATOM 0 HG3 GLU A 57 61.461 4.489 16.499 1.00 0.00 H new ATOM 40 N ALA A 58 61.202 5.136 11.551 1.00 0.00 N ATOM 41 CA ALA A 58 61.204 5.726 10.224 1.00 0.00 C ATOM 42 C ALA A 58 59.799 6.060 9.764 1.00 0.00 C ATOM 43 O ALA A 58 59.610 6.776 8.790 1.00 0.00 O ATOM 44 CB ALA A 58 61.911 4.819 9.224 1.00 0.00 C ATOM 0 H ALA A 58 61.552 4.179 11.587 1.00 0.00 H new ATOM 0 HA ALA A 58 61.760 6.662 10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.898 5.284 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.943 4.665 9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.398 3.858 9.178 1.00 0.00 H new ATOM 50 N LEU A 59 58.817 5.555 10.480 1.00 0.00 N ATOM 51 CA LEU A 59 57.427 5.814 10.154 1.00 0.00 C ATOM 52 C LEU A 59 57.183 7.306 9.947 1.00 0.00 C ATOM 53 O LEU A 59 56.225 7.701 9.280 1.00 0.00 O ATOM 54 CB LEU A 59 56.570 5.325 11.304 1.00 0.00 C ATOM 55 CG LEU A 59 56.532 3.801 11.279 1.00 0.00 C ATOM 56 CD1 LEU A 59 56.088 3.297 12.643 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.529 3.317 10.225 1.00 0.00 C ATOM 0 H LEU A 59 58.955 4.959 11.296 1.00 0.00 H new ATOM 0 HA LEU A 59 57.174 5.295 9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.976 5.676 12.253 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.561 5.729 11.220 1.00 0.00 H new ATOM 0 HG LEU A 59 57.524 3.421 11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 59 56.057 2.207 12.636 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.792 3.635 13.403 1.00 0.00 H new ATOM 0 HD13 LEU A 59 55.095 3.686 12.869 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.509 2.227 10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.536 3.696 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.828 3.684 9.243 1.00 0.00 H new ATOM 69 N GLU A 60 58.047 8.137 10.529 1.00 0.00 N ATOM 70 CA GLU A 60 57.894 9.575 10.394 1.00 0.00 C ATOM 71 C GLU A 60 57.940 9.989 8.931 1.00 0.00 C ATOM 72 O GLU A 60 57.126 10.789 8.475 1.00 0.00 O ATOM 73 CB GLU A 60 59.018 10.281 11.150 1.00 0.00 C ATOM 74 CG GLU A 60 58.845 10.065 12.652 1.00 0.00 C ATOM 75 CD GLU A 60 57.528 10.669 13.126 1.00 0.00 C ATOM 76 OE1 GLU A 60 57.202 11.756 12.680 1.00 0.00 O ATOM 77 OE2 GLU A 60 56.868 10.040 13.936 1.00 0.00 O ATOM 0 H GLU A 60 58.846 7.840 11.089 1.00 0.00 H new ATOM 0 HA GLU A 60 56.927 9.859 10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.985 9.895 10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 60 59.008 11.347 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 60 58.866 8.999 12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 60 59.676 10.521 13.190 1.00 0.00 H new ATOM 84 N LEU A 61 58.887 9.429 8.200 1.00 0.00 N ATOM 85 CA LEU A 61 59.016 9.745 6.781 1.00 0.00 C ATOM 86 C LEU A 61 58.479 8.615 5.906 1.00 0.00 C ATOM 87 O LEU A 61 57.793 8.867 4.921 1.00 0.00 O ATOM 88 CB LEU A 61 60.476 9.995 6.445 1.00 0.00 C ATOM 89 CG LEU A 61 61.004 11.168 7.266 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.500 11.319 7.030 1.00 0.00 C ATOM 91 CD2 LEU A 61 60.293 12.461 6.853 1.00 0.00 C ATOM 0 H LEU A 61 59.572 8.761 8.555 1.00 0.00 H new ATOM 0 HA LEU A 61 58.427 10.640 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 61 61.064 9.101 6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.582 10.207 5.381 1.00 0.00 H new ATOM 0 HG LEU A 61 60.814 10.977 8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.878 12.157 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 61 63.010 10.405 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.685 11.504 5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.677 13.292 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 61 60.474 12.654 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 61 59.222 12.358 7.025 1.00 0.00 H new ATOM 103 N LEU A 62 58.785 7.373 6.288 1.00 0.00 N ATOM 104 CA LEU A 62 58.339 6.197 5.562 1.00 0.00 C ATOM 105 C LEU A 62 58.473 4.960 6.449 1.00 0.00 C ATOM 106 O LEU A 62 57.527 4.598 7.138 1.00 0.00 O ATOM 107 CB LEU A 62 59.151 6.028 4.273 1.00 0.00 C ATOM 108 CG LEU A 62 58.297 6.459 3.092 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.198 6.957 1.964 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.470 5.268 2.605 1.00 0.00 C ATOM 0 H LEU A 62 59.350 7.162 7.111 1.00 0.00 H new ATOM 0 HA LEU A 62 57.291 6.322 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 62 60.060 6.627 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.460 4.989 4.156 1.00 0.00 H new ATOM 0 HG LEU A 62 57.629 7.264 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.584 7.266 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.785 7.805 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.868 6.156 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.856 5.573 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.137 4.463 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.826 4.918 3.412 1.00 0.00 H new ATOM 122 N GLU A 63 59.655 4.338 6.425 1.00 0.00 N ATOM 123 CA GLU A 63 59.950 3.147 7.215 1.00 0.00 C ATOM 124 C GLU A 63 61.265 2.498 6.772 1.00 0.00 C ATOM 125 O GLU A 63 62.304 2.677 7.408 1.00 0.00 O ATOM 126 CB GLU A 63 58.816 2.149 7.082 1.00 0.00 C ATOM 127 CG GLU A 63 58.038 2.084 8.391 1.00 0.00 C ATOM 128 CD GLU A 63 57.582 0.653 8.645 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.315 -0.045 7.679 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.510 0.271 9.801 1.00 0.00 O ATOM 0 H GLU A 63 60.438 4.652 5.851 1.00 0.00 H new ATOM 0 HA GLU A 63 60.054 3.449 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.154 2.442 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.212 1.164 6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.663 2.429 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.175 2.749 8.346 1.00 0.00 H new ATOM 137 N HIS A 64 61.208 1.737 5.686 1.00 0.00 N ATOM 138 CA HIS A 64 62.385 1.061 5.165 1.00 0.00 C ATOM 139 C HIS A 64 62.761 1.635 3.808 1.00 0.00 C ATOM 140 O HIS A 64 61.970 2.327 3.168 1.00 0.00 O ATOM 141 CB HIS A 64 62.103 -0.436 5.029 1.00 0.00 C ATOM 142 CG HIS A 64 60.818 -0.638 4.295 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.619 -0.748 4.964 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.520 -0.762 2.961 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.659 -0.935 4.052 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.150 -0.951 2.809 1.00 0.00 N ATOM 0 H HIS A 64 60.356 1.574 5.149 1.00 0.00 H new ATOM 0 HA HIS A 64 63.214 1.212 5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.919 -0.923 4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.047 -0.897 6.015 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.237 -0.719 2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.613 -1.058 4.291 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.633 -1.075 1.939 1.00 0.00 H new ATOM 154 N CYS A 65 63.976 1.343 3.389 1.00 0.00 N ATOM 155 CA CYS A 65 64.478 1.825 2.116 1.00 0.00 C ATOM 156 C CYS A 65 63.945 0.978 0.967 1.00 0.00 C ATOM 157 O CYS A 65 63.863 -0.225 1.083 1.00 0.00 O ATOM 158 CB CYS A 65 65.992 1.778 2.136 1.00 0.00 C ATOM 159 SG CYS A 65 66.623 2.077 0.470 1.00 0.00 S ATOM 0 H CYS A 65 64.638 0.771 3.914 1.00 0.00 H new ATOM 0 HA CYS A 65 64.139 2.850 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.381 2.528 2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.332 0.807 2.497 1.00 0.00 H new ATOM 164 N GLY A 66 63.563 1.622 -0.128 1.00 0.00 N ATOM 165 CA GLY A 66 63.029 0.912 -1.293 1.00 0.00 C ATOM 166 C GLY A 66 64.088 0.066 -2.008 1.00 0.00 C ATOM 167 O GLY A 66 63.783 -0.995 -2.548 1.00 0.00 O ATOM 0 H GLY A 66 63.611 2.635 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.209 0.268 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.613 1.635 -1.995 1.00 0.00 H new ATOM 171 N VAL A 67 65.322 0.562 -2.049 1.00 0.00 N ATOM 172 CA VAL A 67 66.404 -0.131 -2.743 1.00 0.00 C ATOM 173 C VAL A 67 66.649 -1.534 -2.185 1.00 0.00 C ATOM 174 O VAL A 67 66.847 -2.485 -2.946 1.00 0.00 O ATOM 175 CB VAL A 67 67.692 0.678 -2.599 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.865 -0.116 -3.176 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.558 2.015 -3.333 1.00 0.00 C ATOM 0 H VAL A 67 65.597 1.441 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 67 66.111 -0.228 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 67 67.874 0.873 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.783 0.463 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 67 68.967 -1.058 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.682 -0.320 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.481 2.584 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.367 1.832 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.730 2.582 -2.908 1.00 0.00 H new ATOM 187 N CYS A 68 66.656 -1.659 -0.865 1.00 0.00 N ATOM 188 CA CYS A 68 66.902 -2.950 -0.225 1.00 0.00 C ATOM 189 C CYS A 68 65.639 -3.502 0.429 1.00 0.00 C ATOM 190 O CYS A 68 65.539 -4.696 0.696 1.00 0.00 O ATOM 191 CB CYS A 68 68.003 -2.795 0.825 1.00 0.00 C ATOM 192 SG CYS A 68 67.583 -1.420 1.922 1.00 0.00 S ATOM 0 H CYS A 68 66.495 -0.888 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 68 67.215 -3.657 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.108 -3.716 1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 68 68.962 -2.610 0.340 1.00 0.00 H new ATOM 197 N ARG A 69 64.676 -2.625 0.657 1.00 0.00 N ATOM 198 CA ARG A 69 63.405 -3.023 1.251 1.00 0.00 C ATOM 199 C ARG A 69 63.603 -3.521 2.678 1.00 0.00 C ATOM 200 O ARG A 69 62.853 -4.370 3.164 1.00 0.00 O ATOM 201 CB ARG A 69 62.764 -4.117 0.391 1.00 0.00 C ATOM 202 CG ARG A 69 62.957 -3.804 -1.106 1.00 0.00 C ATOM 203 CD ARG A 69 61.596 -3.673 -1.776 1.00 0.00 C ATOM 204 NE ARG A 69 61.697 -3.962 -3.203 1.00 0.00 N ATOM 205 CZ ARG A 69 60.615 -4.023 -3.985 1.00 0.00 C ATOM 206 NH1 ARG A 69 59.421 -3.823 -3.492 1.00 0.00 N ATOM 207 NH2 ARG A 69 60.754 -4.285 -5.255 1.00 0.00 N ATOM 0 H ARG A 69 64.748 -1.631 0.440 1.00 0.00 H new ATOM 0 HA ARG A 69 62.746 -2.155 1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.210 -5.083 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.701 -4.192 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 69 63.524 -2.881 -1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.534 -4.596 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 69 60.888 -4.358 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 69 61.208 -2.665 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 69 62.617 -4.121 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 69 59.307 -3.617 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 69 58.603 -3.872 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 69 61.684 -4.442 -5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 69 59.933 -4.333 -5.859 1.00 0.00 H new ATOM 221 N GLU A 70 64.615 -2.976 3.341 1.00 0.00 N ATOM 222 CA GLU A 70 64.918 -3.348 4.716 1.00 0.00 C ATOM 223 C GLU A 70 64.820 -2.135 5.623 1.00 0.00 C ATOM 224 O GLU A 70 65.084 -1.006 5.207 1.00 0.00 O ATOM 225 CB GLU A 70 66.327 -3.932 4.792 1.00 0.00 C ATOM 226 CG GLU A 70 66.500 -4.972 3.687 1.00 0.00 C ATOM 227 CD GLU A 70 67.706 -5.857 3.986 1.00 0.00 C ATOM 228 OE1 GLU A 70 67.608 -6.673 4.887 1.00 0.00 O ATOM 229 OE2 GLU A 70 68.709 -5.704 3.309 1.00 0.00 O ATOM 0 H GLU A 70 65.241 -2.273 2.947 1.00 0.00 H new ATOM 0 HA GLU A 70 64.196 -4.095 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.068 -3.140 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.492 -4.390 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 70 65.601 -5.583 3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 70 66.633 -4.475 2.726 1.00 0.00 H new ATOM 236 N ARG A 71 64.432 -2.381 6.862 1.00 0.00 N ATOM 237 CA ARG A 71 64.286 -1.316 7.836 1.00 0.00 C ATOM 238 C ARG A 71 65.567 -0.508 7.941 1.00 0.00 C ATOM 239 O ARG A 71 66.662 -1.017 7.704 1.00 0.00 O ATOM 240 CB ARG A 71 63.935 -1.917 9.191 1.00 0.00 C ATOM 241 CG ARG A 71 63.154 -0.903 10.031 1.00 0.00 C ATOM 242 CD ARG A 71 61.672 -1.285 10.032 1.00 0.00 C ATOM 243 NE ARG A 71 60.926 -0.438 10.957 1.00 0.00 N ATOM 244 CZ ARG A 71 59.701 -0.767 11.378 1.00 0.00 C ATOM 245 NH1 ARG A 71 59.128 -1.871 10.975 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.068 0.022 12.203 1.00 0.00 N ATOM 0 H ARG A 71 64.212 -3.312 7.217 1.00 0.00 H new ATOM 0 HA ARG A 71 63.487 -0.648 7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.341 -2.821 9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.845 -2.210 9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.538 -0.885 11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.283 0.100 9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.264 -1.183 9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.560 -2.331 10.317 1.00 0.00 H new ATOM 0 HE ARG A 71 61.350 0.427 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 71 59.616 -2.494 10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 71 58.193 -2.110 11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.508 0.885 12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 71 58.133 -0.224 12.528 1.00 0.00 H new ATOM 260 N LEU A 72 65.412 0.761 8.283 1.00 0.00 N ATOM 261 CA LEU A 72 66.552 1.649 8.405 1.00 0.00 C ATOM 262 C LEU A 72 67.247 1.452 9.747 1.00 0.00 C ATOM 263 O LEU A 72 66.748 1.885 10.782 1.00 0.00 O ATOM 264 CB LEU A 72 66.075 3.095 8.267 1.00 0.00 C ATOM 265 CG LEU A 72 65.419 3.295 6.893 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.670 4.638 6.867 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.504 3.285 5.802 1.00 0.00 C ATOM 0 H LEU A 72 64.511 1.196 8.480 1.00 0.00 H new ATOM 0 HA LEU A 72 67.269 1.421 7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.363 3.330 9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.917 3.778 8.382 1.00 0.00 H new ATOM 0 HG LEU A 72 64.711 2.487 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.206 4.777 5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.900 4.640 7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.373 5.450 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.040 3.427 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.214 4.091 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 72 67.028 2.330 5.819 1.00 0.00 H new ATOM 279 N ARG A 73 68.405 0.796 9.711 1.00 0.00 N ATOM 280 CA ARG A 73 69.181 0.541 10.922 1.00 0.00 C ATOM 281 C ARG A 73 69.992 1.784 11.301 1.00 0.00 C ATOM 282 O ARG A 73 70.107 2.720 10.511 1.00 0.00 O ATOM 283 CB ARG A 73 70.102 -0.656 10.723 1.00 0.00 C ATOM 284 CG ARG A 73 71.505 -0.173 10.414 1.00 0.00 C ATOM 285 CD ARG A 73 72.316 -1.336 9.880 1.00 0.00 C ATOM 286 NE ARG A 73 72.699 -2.230 10.965 1.00 0.00 N ATOM 287 CZ ARG A 73 73.516 -3.263 10.758 1.00 0.00 C ATOM 288 NH1 ARG A 73 74.002 -3.502 9.566 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.837 -4.040 11.753 1.00 0.00 N ATOM 0 H ARG A 73 68.826 0.432 8.857 1.00 0.00 H new ATOM 0 HA ARG A 73 68.493 0.312 11.736 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.109 -1.275 11.620 1.00 0.00 H new ATOM 0 HB3 ARG A 73 69.734 -1.279 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 73 71.474 0.633 9.681 1.00 0.00 H new ATOM 0 HG3 ARG A 73 71.971 0.231 11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.734 -1.883 9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 73 73.208 -0.964 9.375 1.00 0.00 H new ATOM 0 HE ARG A 73 72.334 -2.062 11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 73 73.756 -2.895 8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 73 74.626 -4.295 9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 73 73.464 -3.857 12.684 1.00 0.00 H new ATOM 0 HH22 ARG A 73 74.462 -4.832 11.601 1.00 0.00 H new ATOM 303 N PRO A 74 70.538 1.819 12.489 1.00 0.00 N ATOM 304 CA PRO A 74 71.331 2.996 12.981 1.00 0.00 C ATOM 305 C PRO A 74 72.443 3.417 12.013 1.00 0.00 C ATOM 306 O PRO A 74 72.599 4.600 11.713 1.00 0.00 O ATOM 307 CB PRO A 74 71.940 2.486 14.289 1.00 0.00 C ATOM 308 CG PRO A 74 71.013 1.415 14.758 1.00 0.00 C ATOM 309 CD PRO A 74 70.454 0.754 13.497 1.00 0.00 C ATOM 0 HA PRO A 74 70.705 3.882 13.091 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.945 2.096 14.130 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.022 3.286 15.024 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.539 0.689 15.378 1.00 0.00 H new ATOM 0 HG3 PRO A 74 70.211 1.833 15.367 1.00 0.00 H new ATOM 0 HD2 PRO A 74 71.039 -0.120 13.208 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.427 0.417 13.641 1.00 0.00 H new ATOM 317 N GLU A 75 73.205 2.445 11.532 1.00 0.00 N ATOM 318 CA GLU A 75 74.300 2.717 10.606 1.00 0.00 C ATOM 319 C GLU A 75 73.791 2.841 9.168 1.00 0.00 C ATOM 320 O GLU A 75 74.577 3.053 8.246 1.00 0.00 O ATOM 321 CB GLU A 75 75.333 1.591 10.686 1.00 0.00 C ATOM 322 CG GLU A 75 76.018 1.627 12.053 1.00 0.00 C ATOM 323 CD GLU A 75 76.963 0.439 12.200 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.932 -0.429 11.346 1.00 0.00 O ATOM 325 OE2 GLU A 75 77.706 0.415 13.170 1.00 0.00 O ATOM 0 H GLU A 75 73.087 1.459 11.767 1.00 0.00 H new ATOM 0 HA GLU A 75 74.759 3.664 10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 75 74.848 0.626 10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 75 76.072 1.704 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 75 76.573 2.558 12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 75 75.269 1.605 12.844 1.00 0.00 H new ATOM 332 N ARG A 76 72.480 2.691 8.977 1.00 0.00 N ATOM 333 CA ARG A 76 71.896 2.774 7.642 1.00 0.00 C ATOM 334 C ARG A 76 71.986 4.190 7.098 1.00 0.00 C ATOM 335 O ARG A 76 71.973 4.403 5.876 1.00 0.00 O ATOM 336 CB ARG A 76 70.422 2.371 7.710 1.00 0.00 C ATOM 337 CG ARG A 76 69.959 1.748 6.391 1.00 0.00 C ATOM 338 CD ARG A 76 70.745 0.461 6.141 1.00 0.00 C ATOM 339 NE ARG A 76 69.990 -0.465 5.307 1.00 0.00 N ATOM 340 CZ ARG A 76 70.532 -1.594 4.845 1.00 0.00 C ATOM 341 NH1 ARG A 76 71.774 -1.906 5.120 1.00 0.00 N ATOM 342 NH2 ARG A 76 69.812 -2.402 4.121 1.00 0.00 N ATOM 0 H ARG A 76 71.809 2.513 9.724 1.00 0.00 H new ATOM 0 HA ARG A 76 72.449 2.104 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.273 1.661 8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 76 69.813 3.246 7.936 1.00 0.00 H new ATOM 0 HG2 ARG A 76 68.891 1.534 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.114 2.448 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 76 71.693 0.699 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 76 70.982 -0.014 7.093 1.00 0.00 H new ATOM 0 HE ARG A 76 69.023 -0.245 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 76 72.341 -1.283 5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 76 72.174 -2.772 4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 76 68.841 -2.170 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 76 70.219 -3.267 3.764 1.00 0.00 H new ATOM 356 N GLU A 77 72.070 5.153 8.006 1.00 0.00 N ATOM 357 CA GLU A 77 72.155 6.546 7.612 1.00 0.00 C ATOM 358 C GLU A 77 71.104 6.861 6.556 1.00 0.00 C ATOM 359 O GLU A 77 71.419 7.021 5.377 1.00 0.00 O ATOM 360 CB GLU A 77 73.545 6.847 7.067 1.00 0.00 C ATOM 361 CG GLU A 77 73.702 8.353 6.866 1.00 0.00 C ATOM 362 CD GLU A 77 75.116 8.673 6.395 1.00 0.00 C ATOM 363 OE1 GLU A 77 75.939 7.771 6.401 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.357 9.813 6.036 1.00 0.00 O ATOM 0 H GLU A 77 72.081 4.993 9.013 1.00 0.00 H new ATOM 0 HA GLU A 77 71.971 7.170 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.305 6.481 7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.697 6.326 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 77 72.977 8.708 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.494 8.876 7.799 1.00 0.00 H new ATOM 371 N PRO A 78 69.872 6.932 6.961 1.00 0.00 N ATOM 372 CA PRO A 78 68.738 7.211 6.040 1.00 0.00 C ATOM 373 C PRO A 78 68.779 8.634 5.499 1.00 0.00 C ATOM 374 O PRO A 78 69.240 9.559 6.172 1.00 0.00 O ATOM 375 CB PRO A 78 67.503 6.983 6.916 1.00 0.00 C ATOM 376 CG PRO A 78 67.973 7.206 8.313 1.00 0.00 C ATOM 377 CD PRO A 78 69.423 6.749 8.347 1.00 0.00 C ATOM 0 HA PRO A 78 68.756 6.577 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 78 66.701 7.673 6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.110 5.975 6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.889 8.257 8.590 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.369 6.640 9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.015 7.344 9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.509 5.709 8.663 1.00 0.00 H new ATOM 385 N ARG A 79 68.302 8.796 4.274 1.00 0.00 N ATOM 386 CA ARG A 79 68.293 10.102 3.634 1.00 0.00 C ATOM 387 C ARG A 79 67.025 10.294 2.817 1.00 0.00 C ATOM 388 O ARG A 79 66.403 9.326 2.393 1.00 0.00 O ATOM 389 CB ARG A 79 69.501 10.237 2.724 1.00 0.00 C ATOM 390 CG ARG A 79 70.356 11.416 3.188 1.00 0.00 C ATOM 391 CD ARG A 79 71.794 11.205 2.730 1.00 0.00 C ATOM 392 NE ARG A 79 72.646 12.295 3.202 1.00 0.00 N ATOM 393 CZ ARG A 79 73.087 12.351 4.462 1.00 0.00 C ATOM 394 NH1 ARG A 79 72.779 11.416 5.324 1.00 0.00 N ATOM 395 NH2 ARG A 79 73.833 13.353 4.839 1.00 0.00 N ATOM 0 H ARG A 79 67.917 8.042 3.705 1.00 0.00 H new ATOM 0 HA ARG A 79 68.329 10.865 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.088 9.319 2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.179 10.390 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 79 69.965 12.347 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.317 11.504 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.167 10.254 3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 79 71.831 11.151 1.642 1.00 0.00 H new ATOM 0 HE ARG A 79 72.911 13.034 2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 79 72.195 10.631 5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 79 73.123 11.473 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.076 14.087 4.173 1.00 0.00 H new ATOM 0 HH22 ARG A 79 74.173 13.402 5.799 1.00 0.00 H new ATOM 409 N LEU A 80 66.650 11.548 2.596 1.00 0.00 N ATOM 410 CA LEU A 80 65.444 11.846 1.830 1.00 0.00 C ATOM 411 C LEU A 80 65.788 12.381 0.440 1.00 0.00 C ATOM 412 O LEU A 80 66.548 13.338 0.304 1.00 0.00 O ATOM 413 CB LEU A 80 64.600 12.885 2.570 1.00 0.00 C ATOM 414 CG LEU A 80 63.172 12.849 2.043 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.414 11.758 2.782 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.497 14.201 2.294 1.00 0.00 C ATOM 0 H LEU A 80 67.156 12.367 2.932 1.00 0.00 H new ATOM 0 HA LEU A 80 64.882 10.918 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.609 12.680 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.025 13.879 2.432 1.00 0.00 H new ATOM 0 HG LEU A 80 63.173 12.646 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.388 11.717 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 80 62.899 10.797 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.411 11.976 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.475 14.173 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.483 14.407 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.052 14.986 1.781 1.00 0.00 H new ATOM 428 N LEU A 81 65.213 11.761 -0.587 1.00 0.00 N ATOM 429 CA LEU A 81 65.452 12.188 -1.960 1.00 0.00 C ATOM 430 C LEU A 81 64.488 13.303 -2.363 1.00 0.00 C ATOM 431 O LEU A 81 63.502 13.567 -1.674 1.00 0.00 O ATOM 432 CB LEU A 81 65.292 11.009 -2.917 1.00 0.00 C ATOM 433 CG LEU A 81 66.663 10.602 -3.460 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.554 10.130 -2.312 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.479 9.478 -4.478 1.00 0.00 C ATOM 0 H LEU A 81 64.582 10.965 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 81 66.472 12.568 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 81 64.829 10.168 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.630 11.281 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 81 67.138 11.456 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.529 9.841 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.677 10.938 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.092 9.273 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.451 9.181 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.006 8.623 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 81 65.848 9.827 -5.296 1.00 0.00 H new ATOM 447 N PRO A 82 64.757 13.952 -3.463 1.00 0.00 N ATOM 448 CA PRO A 82 63.904 15.061 -3.981 1.00 0.00 C ATOM 449 C PRO A 82 62.481 14.601 -4.285 1.00 0.00 C ATOM 450 O PRO A 82 61.558 15.413 -4.352 1.00 0.00 O ATOM 451 CB PRO A 82 64.606 15.502 -5.270 1.00 0.00 C ATOM 452 CG PRO A 82 65.989 14.955 -5.191 1.00 0.00 C ATOM 453 CD PRO A 82 65.908 13.699 -4.343 1.00 0.00 C ATOM 0 HA PRO A 82 63.801 15.861 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.085 15.121 -6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 82 64.620 16.589 -5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 82 66.374 14.728 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.668 15.681 -4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 82 65.757 12.810 -4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 82 66.823 13.541 -3.772 1.00 0.00 H new ATOM 461 N CYS A 83 62.310 13.294 -4.461 1.00 0.00 N ATOM 462 CA CYS A 83 60.994 12.731 -4.750 1.00 0.00 C ATOM 463 C CYS A 83 60.268 12.376 -3.461 1.00 0.00 C ATOM 464 O CYS A 83 59.149 11.863 -3.494 1.00 0.00 O ATOM 465 CB CYS A 83 61.123 11.485 -5.626 1.00 0.00 C ATOM 466 SG CYS A 83 62.361 10.374 -4.916 1.00 0.00 S ATOM 0 H CYS A 83 63.062 12.607 -4.409 1.00 0.00 H new ATOM 0 HA CYS A 83 60.416 13.484 -5.286 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.161 10.977 -5.698 1.00 0.00 H new ATOM 0 HB3 CYS A 83 61.411 11.768 -6.639 1.00 0.00 H new ATOM 471 N LEU A 84 60.920 12.652 -2.332 1.00 0.00 N ATOM 472 CA LEU A 84 60.345 12.374 -1.029 1.00 0.00 C ATOM 473 C LEU A 84 60.345 10.887 -0.742 1.00 0.00 C ATOM 474 O LEU A 84 59.331 10.316 -0.347 1.00 0.00 O ATOM 475 CB LEU A 84 58.914 12.932 -0.947 1.00 0.00 C ATOM 476 CG LEU A 84 58.623 13.483 0.450 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.252 14.172 0.444 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.607 12.328 1.454 1.00 0.00 C ATOM 0 H LEU A 84 61.850 13.069 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 84 60.960 12.866 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.784 13.721 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.198 12.146 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 84 59.393 14.201 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 84 57.039 14.567 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 84 57.259 14.989 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.483 13.450 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.400 12.716 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.833 11.614 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.577 11.831 1.452 1.00 0.00 H new ATOM 490 N HIS A 85 61.498 10.274 -0.919 1.00 0.00 N ATOM 491 CA HIS A 85 61.636 8.858 -0.655 1.00 0.00 C ATOM 492 C HIS A 85 62.830 8.616 0.251 1.00 0.00 C ATOM 493 O HIS A 85 63.951 9.025 -0.052 1.00 0.00 O ATOM 494 CB HIS A 85 61.822 8.108 -1.963 1.00 0.00 C ATOM 495 CG HIS A 85 60.563 8.208 -2.784 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.567 8.091 -4.162 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.250 8.421 -2.434 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.299 8.234 -4.590 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.457 8.438 -3.577 1.00 0.00 N ATOM 0 H HIS A 85 62.349 10.733 -1.243 1.00 0.00 H new ATOM 0 HA HIS A 85 60.734 8.497 -0.160 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.664 8.524 -2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.057 7.062 -1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.889 8.555 -1.425 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.000 8.189 -5.627 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.448 8.577 -3.629 1.00 0.00 H new ATOM 507 N SER A 86 62.576 7.956 1.362 1.00 0.00 N ATOM 508 CA SER A 86 63.638 7.672 2.316 1.00 0.00 C ATOM 509 C SER A 86 64.362 6.388 1.929 1.00 0.00 C ATOM 510 O SER A 86 63.733 5.374 1.624 1.00 0.00 O ATOM 511 CB SER A 86 63.069 7.500 3.718 1.00 0.00 C ATOM 512 OG SER A 86 62.244 8.613 4.040 1.00 0.00 O ATOM 0 H SER A 86 61.655 7.608 1.629 1.00 0.00 H new ATOM 0 HA SER A 86 64.332 8.512 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.491 6.578 3.776 1.00 0.00 H new ATOM 0 HB3 SER A 86 63.879 7.414 4.442 1.00 0.00 H new ATOM 0 HG SER A 86 61.449 8.302 4.521 1.00 0.00 H new ATOM 518 N ALA A 87 65.688 6.450 1.940 1.00 0.00 N ATOM 519 CA ALA A 87 66.508 5.290 1.582 1.00 0.00 C ATOM 520 C ALA A 87 67.858 5.326 2.306 1.00 0.00 C ATOM 521 O ALA A 87 68.253 6.355 2.856 1.00 0.00 O ATOM 522 CB ALA A 87 66.735 5.254 0.066 1.00 0.00 C ATOM 0 H ALA A 87 66.220 7.284 2.191 1.00 0.00 H new ATOM 0 HA ALA A 87 65.975 4.391 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.346 4.388 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.774 5.184 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.247 6.164 -0.247 1.00 0.00 H new ATOM 528 N CYS A 88 68.560 4.192 2.297 1.00 0.00 N ATOM 529 CA CYS A 88 69.866 4.091 2.947 1.00 0.00 C ATOM 530 C CYS A 88 70.896 4.879 2.158 1.00 0.00 C ATOM 531 O CYS A 88 70.934 4.793 0.943 1.00 0.00 O ATOM 532 CB CYS A 88 70.316 2.632 3.000 1.00 0.00 C ATOM 533 SG CYS A 88 68.906 1.572 3.385 1.00 0.00 S ATOM 0 H CYS A 88 68.246 3.332 1.847 1.00 0.00 H new ATOM 0 HA CYS A 88 69.779 4.490 3.958 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.751 2.341 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.093 2.508 3.755 1.00 0.00 H new ATOM 538 N SER A 89 71.742 5.625 2.848 1.00 0.00 N ATOM 539 CA SER A 89 72.756 6.417 2.168 1.00 0.00 C ATOM 540 C SER A 89 73.577 5.529 1.241 1.00 0.00 C ATOM 541 O SER A 89 73.848 5.896 0.097 1.00 0.00 O ATOM 542 CB SER A 89 73.673 7.056 3.210 1.00 0.00 C ATOM 543 OG SER A 89 74.671 7.831 2.562 1.00 0.00 O ATOM 0 H SER A 89 71.749 5.700 3.865 1.00 0.00 H new ATOM 0 HA SER A 89 72.272 7.193 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.091 7.685 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.139 6.283 3.820 1.00 0.00 H new ATOM 0 HG SER A 89 75.255 8.240 3.234 1.00 0.00 H new ATOM 549 N ALA A 90 73.946 4.353 1.726 1.00 0.00 N ATOM 550 CA ALA A 90 74.710 3.425 0.907 1.00 0.00 C ATOM 551 C ALA A 90 73.894 3.042 -0.324 1.00 0.00 C ATOM 552 O ALA A 90 74.432 2.925 -1.420 1.00 0.00 O ATOM 553 CB ALA A 90 75.060 2.174 1.710 1.00 0.00 C ATOM 0 H ALA A 90 73.733 4.022 2.667 1.00 0.00 H new ATOM 0 HA ALA A 90 75.636 3.907 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.632 1.488 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.655 2.454 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.143 1.685 2.040 1.00 0.00 H new ATOM 559 N CYS A 91 72.585 2.859 -0.127 1.00 0.00 N ATOM 560 CA CYS A 91 71.682 2.508 -1.220 1.00 0.00 C ATOM 561 C CYS A 91 71.551 3.675 -2.191 1.00 0.00 C ATOM 562 O CYS A 91 71.390 3.484 -3.395 1.00 0.00 O ATOM 563 CB CYS A 91 70.311 2.104 -0.671 1.00 0.00 C ATOM 564 SG CYS A 91 70.463 0.501 0.159 1.00 0.00 S ATOM 0 H CYS A 91 72.130 2.949 0.781 1.00 0.00 H new ATOM 0 HA CYS A 91 72.098 1.657 -1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 91 69.947 2.858 0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.584 2.042 -1.480 1.00 0.00 H new ATOM 569 N LEU A 92 71.613 4.885 -1.649 1.00 0.00 N ATOM 570 CA LEU A 92 71.505 6.095 -2.455 1.00 0.00 C ATOM 571 C LEU A 92 72.712 6.252 -3.380 1.00 0.00 C ATOM 572 O LEU A 92 72.606 6.845 -4.453 1.00 0.00 O ATOM 573 CB LEU A 92 71.375 7.319 -1.541 1.00 0.00 C ATOM 574 CG LEU A 92 70.051 7.267 -0.772 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.953 8.483 0.140 1.00 0.00 C ATOM 576 CD2 LEU A 92 68.866 7.248 -1.739 1.00 0.00 C ATOM 0 H LEU A 92 71.738 5.055 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 92 70.614 6.014 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.210 7.349 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.424 8.232 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 92 70.023 6.355 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 92 69.012 8.451 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 92 70.785 8.478 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.991 9.392 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 92 67.935 7.211 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 92 68.882 8.149 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 92 68.935 6.370 -2.382 1.00 0.00 H new ATOM 588 N GLY A 93 73.854 5.724 -2.962 1.00 0.00 N ATOM 589 CA GLY A 93 75.064 5.819 -3.778 1.00 0.00 C ATOM 590 C GLY A 93 74.824 5.289 -5.200 1.00 0.00 C ATOM 591 O GLY A 93 74.949 6.036 -6.172 1.00 0.00 O ATOM 0 H GLY A 93 73.972 5.232 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.392 6.857 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.867 5.252 -3.308 1.00 0.00 H new ATOM 595 N PRO A 94 74.458 4.031 -5.342 1.00 0.00 N ATOM 596 CA PRO A 94 74.180 3.418 -6.677 1.00 0.00 C ATOM 597 C PRO A 94 72.977 4.049 -7.374 1.00 0.00 C ATOM 598 O PRO A 94 72.730 3.796 -8.553 1.00 0.00 O ATOM 599 CB PRO A 94 73.926 1.942 -6.368 1.00 0.00 C ATOM 600 CG PRO A 94 73.549 1.901 -4.931 1.00 0.00 C ATOM 601 CD PRO A 94 74.283 3.054 -4.258 1.00 0.00 C ATOM 0 HA PRO A 94 75.010 3.571 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.130 1.540 -6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.816 1.342 -6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 94 72.471 2.004 -4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 94 73.830 0.948 -4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.705 3.470 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.241 2.735 -3.847 1.00 0.00 H new ATOM 609 N ALA A 95 72.232 4.873 -6.642 1.00 0.00 N ATOM 610 CA ALA A 95 71.062 5.533 -7.206 1.00 0.00 C ATOM 611 C ALA A 95 71.462 6.374 -8.412 1.00 0.00 C ATOM 612 O ALA A 95 70.672 6.561 -9.342 1.00 0.00 O ATOM 613 CB ALA A 95 70.396 6.421 -6.155 1.00 0.00 C ATOM 0 H ALA A 95 72.417 5.097 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 95 70.354 4.768 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.523 6.908 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.086 5.811 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.103 7.178 -5.818 1.00 0.00 H new ATOM 619 N ALA A 96 72.693 6.884 -8.397 1.00 0.00 N ATOM 620 CA ALA A 96 73.169 7.694 -9.508 1.00 0.00 C ATOM 621 C ALA A 96 74.366 7.019 -10.189 1.00 0.00 C ATOM 622 O ALA A 96 75.143 6.320 -9.537 1.00 0.00 O ATOM 623 CB ALA A 96 73.581 9.078 -9.010 1.00 0.00 C ATOM 0 H ALA A 96 73.365 6.752 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 96 72.359 7.796 -10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 96 73.936 9.676 -9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 96 72.723 9.570 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.378 8.977 -8.274 1.00 0.00 H new ATOM 629 N PRO A 97 74.529 7.211 -11.480 1.00 0.00 N ATOM 630 CA PRO A 97 75.657 6.604 -12.245 1.00 0.00 C ATOM 631 C PRO A 97 76.982 7.322 -11.999 1.00 0.00 C ATOM 632 O PRO A 97 77.006 8.518 -11.705 1.00 0.00 O ATOM 633 CB PRO A 97 75.216 6.737 -13.699 1.00 0.00 C ATOM 634 CG PRO A 97 74.325 7.929 -13.729 1.00 0.00 C ATOM 635 CD PRO A 97 73.666 8.027 -12.351 1.00 0.00 C ATOM 0 HA PRO A 97 75.847 5.573 -11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 97 76.073 6.869 -14.360 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.690 5.843 -14.034 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.895 8.832 -13.949 1.00 0.00 H new ATOM 0 HG3 PRO A 97 73.572 7.829 -14.511 1.00 0.00 H new ATOM 0 HD2 PRO A 97 73.615 9.060 -12.006 1.00 0.00 H new ATOM 0 HD3 PRO A 97 72.645 7.646 -12.370 1.00 0.00 H new ATOM 643 N ALA A 98 78.082 6.590 -12.132 1.00 0.00 N ATOM 644 CA ALA A 98 79.403 7.174 -11.932 1.00 0.00 C ATOM 645 C ALA A 98 80.461 6.370 -12.681 1.00 0.00 C ATOM 646 O ALA A 98 80.355 5.149 -12.800 1.00 0.00 O ATOM 647 CB ALA A 98 79.739 7.204 -10.441 1.00 0.00 C ATOM 0 H ALA A 98 78.086 5.599 -12.375 1.00 0.00 H new ATOM 0 HA ALA A 98 79.395 8.192 -12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 98 80.727 7.642 -10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.998 7.804 -9.913 1.00 0.00 H new ATOM 0 HB3 ALA A 98 79.732 6.188 -10.046 1.00 0.00 H new ATOM 653 N ALA A 99 81.482 7.062 -13.179 1.00 0.00 N ATOM 654 CA ALA A 99 82.557 6.402 -13.914 1.00 0.00 C ATOM 655 C ALA A 99 81.986 5.456 -14.967 1.00 0.00 C ATOM 656 O ALA A 99 82.464 4.335 -15.132 1.00 0.00 O ATOM 657 CB ALA A 99 83.445 5.618 -12.947 1.00 0.00 C ATOM 0 H ALA A 99 81.588 8.072 -13.088 1.00 0.00 H new ATOM 0 HA ALA A 99 83.152 7.166 -14.415 1.00 0.00 H new ATOM 0 HB1 ALA A 99 84.245 5.128 -13.503 1.00 0.00 H new ATOM 0 HB2 ALA A 99 83.877 6.300 -12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 99 82.847 4.865 -12.433 1.00 0.00 H new ATOM 663 N ALA A 100 80.956 5.916 -15.669 1.00 0.00 N ATOM 664 CA ALA A 100 80.321 5.101 -16.700 1.00 0.00 C ATOM 665 C ALA A 100 80.464 5.758 -18.068 1.00 0.00 C ATOM 666 O ALA A 100 81.264 6.676 -18.247 1.00 0.00 O ATOM 667 CB ALA A 100 78.839 4.910 -16.373 1.00 0.00 C ATOM 0 H ALA A 100 80.545 6.841 -15.545 1.00 0.00 H new ATOM 0 HA ALA A 100 80.815 4.130 -16.725 1.00 0.00 H new ATOM 0 HB1 ALA A 100 78.371 4.301 -17.147 1.00 0.00 H new ATOM 0 HB2 ALA A 100 78.740 4.411 -15.409 1.00 0.00 H new ATOM 0 HB3 ALA A 100 78.348 5.882 -16.330 1.00 0.00 H new ATOM 673 N ASN A 101 79.684 5.281 -19.032 1.00 0.00 N ATOM 674 CA ASN A 101 79.732 5.825 -20.383 1.00 0.00 C ATOM 675 C ASN A 101 79.384 7.310 -20.373 1.00 0.00 C ATOM 676 O ASN A 101 79.988 8.102 -21.097 1.00 0.00 O ATOM 677 CB ASN A 101 78.749 5.075 -21.285 1.00 0.00 C ATOM 678 CG ASN A 101 78.983 5.455 -22.742 1.00 0.00 C ATOM 679 OD1 ASN A 101 80.128 5.620 -23.165 1.00 0.00 O ATOM 680 ND2 ASN A 101 77.963 5.611 -23.540 1.00 0.00 N ATOM 0 H ASN A 101 79.014 4.522 -18.904 1.00 0.00 H new ATOM 0 HA ASN A 101 80.744 5.702 -20.769 1.00 0.00 H new ATOM 0 HB2 ASN A 101 78.873 4.000 -21.157 1.00 0.00 H new ATOM 0 HB3 ASN A 101 77.725 5.314 -20.998 1.00 0.00 H new ATOM 0 HD21 ASN A 101 78.113 5.870 -24.515 1.00 0.00 H new ATOM 0 HD22 ASN A 101 77.015 5.474 -23.189 1.00 0.00 H new ATOM 687 N SER A 102 78.410 7.681 -19.551 1.00 0.00 N ATOM 688 CA SER A 102 77.993 9.075 -19.454 1.00 0.00 C ATOM 689 C SER A 102 79.152 9.952 -18.992 1.00 0.00 C ATOM 690 O SER A 102 79.924 9.566 -18.116 1.00 0.00 O ATOM 691 CB SER A 102 76.832 9.203 -18.466 1.00 0.00 C ATOM 692 OG SER A 102 76.504 10.576 -18.299 1.00 0.00 O ATOM 0 H SER A 102 77.897 7.041 -18.945 1.00 0.00 H new ATOM 0 HA SER A 102 77.672 9.408 -20.441 1.00 0.00 H new ATOM 0 HB2 SER A 102 75.966 8.653 -18.833 1.00 0.00 H new ATOM 0 HB3 SER A 102 77.106 8.764 -17.507 1.00 0.00 H new ATOM 0 HG SER A 102 75.532 10.674 -18.227 1.00 0.00 H new ATOM 698 N SER A 103 79.267 11.133 -19.590 1.00 0.00 N ATOM 699 CA SER A 103 80.335 12.059 -19.233 1.00 0.00 C ATOM 700 C SER A 103 79.834 13.498 -19.302 1.00 0.00 C ATOM 701 O SER A 103 79.026 13.847 -20.170 1.00 0.00 O ATOM 702 CB SER A 103 81.518 11.885 -20.186 1.00 0.00 C ATOM 703 OG SER A 103 82.562 12.773 -19.806 1.00 0.00 O ATOM 0 H SER A 103 78.638 11.470 -20.319 1.00 0.00 H new ATOM 0 HA SER A 103 80.656 11.842 -18.214 1.00 0.00 H new ATOM 0 HB2 SER A 103 81.873 10.855 -20.159 1.00 0.00 H new ATOM 0 HB3 SER A 103 81.207 12.088 -21.211 1.00 0.00 H new ATOM 0 HG SER A 103 83.323 12.663 -20.414 1.00 0.00 H new ATOM 709 N GLY A 104 80.315 14.327 -18.378 1.00 0.00 N ATOM 710 CA GLY A 104 79.908 15.726 -18.339 1.00 0.00 C ATOM 711 C GLY A 104 80.298 16.444 -19.626 1.00 0.00 C ATOM 712 O GLY A 104 79.510 17.211 -20.181 1.00 0.00 O ATOM 0 H GLY A 104 80.980 14.056 -17.654 1.00 0.00 H new ATOM 0 HA2 GLY A 104 78.830 15.791 -18.195 1.00 0.00 H new ATOM 0 HA3 GLY A 104 80.374 16.221 -17.487 1.00 0.00 H new ATOM 716 N ASP A 105 81.514 16.190 -20.101 1.00 0.00 N ATOM 717 CA ASP A 105 81.984 16.819 -21.331 1.00 0.00 C ATOM 718 C ASP A 105 81.118 16.394 -22.511 1.00 0.00 C ATOM 719 O ASP A 105 80.757 17.210 -23.358 1.00 0.00 O ATOM 720 CB ASP A 105 83.440 16.429 -21.592 1.00 0.00 C ATOM 721 CG ASP A 105 84.354 17.122 -20.588 1.00 0.00 C ATOM 722 OD1 ASP A 105 84.611 16.537 -19.549 1.00 0.00 O ATOM 723 OD2 ASP A 105 84.785 18.225 -20.874 1.00 0.00 O ATOM 0 H ASP A 105 82.185 15.561 -19.659 1.00 0.00 H new ATOM 0 HA ASP A 105 81.915 17.901 -21.217 1.00 0.00 H new ATOM 0 HB2 ASP A 105 83.555 15.348 -21.515 1.00 0.00 H new ATOM 0 HB3 ASP A 105 83.723 16.708 -22.607 1.00 0.00 H new ATOM 728 N GLY A 106 80.781 15.110 -22.548 1.00 0.00 N ATOM 729 CA GLY A 106 79.946 14.575 -23.614 1.00 0.00 C ATOM 730 C GLY A 106 78.564 15.213 -23.593 1.00 0.00 C ATOM 731 O GLY A 106 77.970 15.471 -24.639 1.00 0.00 O ATOM 0 H GLY A 106 81.073 14.422 -21.853 1.00 0.00 H new ATOM 0 HA2 GLY A 106 80.420 14.756 -24.579 1.00 0.00 H new ATOM 0 HA3 GLY A 106 79.854 13.495 -23.502 1.00 0.00 H new ATOM 735 N GLY A 107 78.050 15.443 -22.389 1.00 0.00 N ATOM 736 CA GLY A 107 76.727 16.029 -22.234 1.00 0.00 C ATOM 737 C GLY A 107 75.682 14.943 -21.984 1.00 0.00 C ATOM 738 O GLY A 107 74.482 15.188 -22.101 1.00 0.00 O ATOM 0 H GLY A 107 78.527 15.233 -21.512 1.00 0.00 H new ATOM 0 HA2 GLY A 107 76.731 16.735 -21.403 1.00 0.00 H new ATOM 0 HA3 GLY A 107 76.466 16.593 -23.130 1.00 0.00 H new ATOM 742 N ALA A 108 76.145 13.738 -21.646 1.00 0.00 N ATOM 743 CA ALA A 108 75.231 12.630 -21.390 1.00 0.00 C ATOM 744 C ALA A 108 74.423 12.878 -20.121 1.00 0.00 C ATOM 745 O ALA A 108 74.935 13.421 -19.144 1.00 0.00 O ATOM 746 CB ALA A 108 76.019 11.328 -21.250 1.00 0.00 C ATOM 0 H ALA A 108 77.134 13.509 -21.545 1.00 0.00 H new ATOM 0 HA ALA A 108 74.543 12.551 -22.232 1.00 0.00 H new ATOM 0 HB1 ALA A 108 75.331 10.505 -21.059 1.00 0.00 H new ATOM 0 HB2 ALA A 108 76.569 11.135 -22.171 1.00 0.00 H new ATOM 0 HB3 ALA A 108 76.720 11.415 -20.420 1.00 0.00 H new ATOM 752 N ALA A 109 73.155 12.474 -20.144 1.00 0.00 N ATOM 753 CA ALA A 109 72.281 12.654 -18.990 1.00 0.00 C ATOM 754 C ALA A 109 72.692 11.729 -17.849 1.00 0.00 C ATOM 755 O ALA A 109 73.195 10.629 -18.079 1.00 0.00 O ATOM 756 CB ALA A 109 70.831 12.364 -19.382 1.00 0.00 C ATOM 0 H ALA A 109 72.713 12.022 -20.945 1.00 0.00 H new ATOM 0 HA ALA A 109 72.370 13.687 -18.654 1.00 0.00 H new ATOM 0 HB1 ALA A 109 70.185 12.501 -18.515 1.00 0.00 H new ATOM 0 HB2 ALA A 109 70.525 13.047 -20.174 1.00 0.00 H new ATOM 0 HB3 ALA A 109 70.749 11.337 -19.737 1.00 0.00 H new ATOM 762 N GLY A 110 72.474 12.182 -16.619 1.00 0.00 N ATOM 763 CA GLY A 110 72.824 11.389 -15.450 1.00 0.00 C ATOM 764 C GLY A 110 74.238 11.706 -14.984 1.00 0.00 C ATOM 765 O GLY A 110 75.001 12.367 -15.686 1.00 0.00 O ATOM 0 H GLY A 110 72.059 13.089 -16.408 1.00 0.00 H new ATOM 0 HA2 GLY A 110 72.118 11.589 -14.644 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.744 10.328 -15.688 1.00 0.00 H new ATOM 769 N ASP A 111 74.580 11.222 -13.798 1.00 0.00 N ATOM 770 CA ASP A 111 75.912 11.450 -13.248 1.00 0.00 C ATOM 771 C ASP A 111 76.176 12.942 -13.060 1.00 0.00 C ATOM 772 O ASP A 111 76.878 13.563 -13.856 1.00 0.00 O ATOM 773 CB ASP A 111 76.975 10.851 -14.172 1.00 0.00 C ATOM 774 CG ASP A 111 78.301 10.716 -13.429 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.305 10.911 -12.225 1.00 0.00 O ATOM 776 OD2 ASP A 111 79.293 10.421 -14.076 1.00 0.00 O ATOM 0 H ASP A 111 73.961 10.673 -13.201 1.00 0.00 H new ATOM 0 HA ASP A 111 75.964 10.962 -12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.649 9.874 -14.529 1.00 0.00 H new ATOM 0 HB3 ASP A 111 77.104 11.485 -15.049 1.00 0.00 H new ATOM 781 N GLY A 112 75.593 13.514 -12.010 1.00 0.00 N ATOM 782 CA GLY A 112 75.752 14.934 -11.732 1.00 0.00 C ATOM 783 C GLY A 112 74.464 15.680 -12.034 1.00 0.00 C ATOM 784 O GLY A 112 74.262 16.801 -11.571 1.00 0.00 O ATOM 0 H GLY A 112 75.008 13.015 -11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.027 15.078 -10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.565 15.340 -12.334 1.00 0.00 H new ATOM 788 N THR A 113 73.593 15.042 -12.802 1.00 0.00 N ATOM 789 CA THR A 113 72.320 15.641 -13.149 1.00 0.00 C ATOM 790 C THR A 113 71.170 14.822 -12.561 1.00 0.00 C ATOM 791 O THR A 113 71.082 14.651 -11.346 1.00 0.00 O ATOM 792 CB THR A 113 72.179 15.756 -14.670 1.00 0.00 C ATOM 793 OG1 THR A 113 72.289 14.462 -15.247 1.00 0.00 O ATOM 794 CG2 THR A 113 73.266 16.666 -15.239 1.00 0.00 C ATOM 0 H THR A 113 73.747 14.113 -13.194 1.00 0.00 H new ATOM 0 HA THR A 113 72.280 16.644 -12.725 1.00 0.00 H new ATOM 0 HB THR A 113 71.206 16.187 -14.907 1.00 0.00 H new ATOM 0 HG1 THR A 113 73.221 14.295 -15.502 1.00 0.00 H new ATOM 0 HG21 THR A 113 73.152 16.737 -16.321 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.176 17.659 -14.799 1.00 0.00 H new ATOM 0 HG23 THR A 113 74.247 16.252 -15.004 1.00 0.00 H new ATOM 802 N VAL A 114 70.286 14.321 -13.415 1.00 0.00 N ATOM 803 CA VAL A 114 69.166 13.537 -12.953 1.00 0.00 C ATOM 804 C VAL A 114 69.649 12.238 -12.316 1.00 0.00 C ATOM 805 O VAL A 114 70.554 11.579 -12.829 1.00 0.00 O ATOM 806 CB VAL A 114 68.234 13.228 -14.123 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.160 12.246 -13.666 1.00 0.00 C ATOM 808 CG2 VAL A 114 67.590 14.527 -14.625 1.00 0.00 C ATOM 0 H VAL A 114 70.329 14.447 -14.426 1.00 0.00 H new ATOM 0 HA VAL A 114 68.624 14.111 -12.202 1.00 0.00 H new ATOM 0 HB VAL A 114 68.802 12.780 -14.939 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.493 12.023 -14.499 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.631 11.325 -13.322 1.00 0.00 H new ATOM 0 HG13 VAL A 114 66.587 12.687 -12.850 1.00 0.00 H new ATOM 0 HG21 VAL A 114 66.925 14.305 -15.460 1.00 0.00 H new ATOM 0 HG22 VAL A 114 67.018 14.985 -13.818 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.368 15.215 -14.954 1.00 0.00 H new ATOM 818 N VAL A 115 69.041 11.886 -11.190 1.00 0.00 N ATOM 819 CA VAL A 115 69.407 10.676 -10.467 1.00 0.00 C ATOM 820 C VAL A 115 68.335 9.606 -10.644 1.00 0.00 C ATOM 821 O VAL A 115 67.140 9.911 -10.693 1.00 0.00 O ATOM 822 CB VAL A 115 69.588 10.981 -8.983 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.930 9.686 -8.242 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.726 11.992 -8.807 1.00 0.00 C ATOM 0 H VAL A 115 68.290 12.424 -10.757 1.00 0.00 H new ATOM 0 HA VAL A 115 70.348 10.305 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 115 68.667 11.400 -8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 115 70.061 9.898 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.120 8.968 -8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.853 9.269 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.857 12.211 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.649 11.574 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.482 12.911 -9.340 1.00 0.00 H new ATOM 834 N ASP A 116 68.773 8.352 -10.761 1.00 0.00 N ATOM 835 CA ASP A 116 67.855 7.237 -10.944 1.00 0.00 C ATOM 836 C ASP A 116 67.331 6.742 -9.614 1.00 0.00 C ATOM 837 O ASP A 116 68.077 6.233 -8.779 1.00 0.00 O ATOM 838 CB ASP A 116 68.548 6.099 -11.686 1.00 0.00 C ATOM 839 CG ASP A 116 67.602 4.911 -11.843 1.00 0.00 C ATOM 840 OD1 ASP A 116 66.637 5.039 -12.578 1.00 0.00 O ATOM 841 OD2 ASP A 116 67.863 3.887 -11.230 1.00 0.00 O ATOM 0 H ASP A 116 69.758 8.087 -10.732 1.00 0.00 H new ATOM 0 HA ASP A 116 67.010 7.589 -11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.876 6.443 -12.667 1.00 0.00 H new ATOM 0 HB3 ASP A 116 69.441 5.792 -11.141 1.00 0.00 H new ATOM 846 N CYS A 117 66.040 6.906 -9.427 1.00 0.00 N ATOM 847 CA CYS A 117 65.402 6.490 -8.207 1.00 0.00 C ATOM 848 C CYS A 117 64.611 5.201 -8.437 1.00 0.00 C ATOM 849 O CYS A 117 63.886 5.100 -9.395 1.00 0.00 O ATOM 850 CB CYS A 117 64.463 7.593 -7.737 1.00 0.00 C ATOM 851 SG CYS A 117 63.858 7.188 -6.079 1.00 0.00 S ATOM 0 H CYS A 117 65.412 7.328 -10.111 1.00 0.00 H new ATOM 0 HA CYS A 117 66.161 6.302 -7.448 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.984 8.550 -7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.626 7.695 -8.428 1.00 0.00 H new ATOM 856 N PRO A 118 64.723 4.213 -7.604 1.00 0.00 N ATOM 857 CA PRO A 118 63.960 2.944 -7.801 1.00 0.00 C ATOM 858 C PRO A 118 62.449 3.168 -7.850 1.00 0.00 C ATOM 859 O PRO A 118 61.704 2.290 -8.287 1.00 0.00 O ATOM 860 CB PRO A 118 64.334 2.097 -6.583 1.00 0.00 C ATOM 861 CG PRO A 118 64.908 3.056 -5.590 1.00 0.00 C ATOM 862 CD PRO A 118 65.576 4.151 -6.409 1.00 0.00 C ATOM 0 HA PRO A 118 64.208 2.474 -8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.461 1.587 -6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.058 1.327 -6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.129 3.468 -4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.628 2.560 -4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.598 5.101 -5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.607 3.901 -6.658 1.00 0.00 H new ATOM 870 N VAL A 119 61.997 4.328 -7.394 1.00 0.00 N ATOM 871 CA VAL A 119 60.570 4.621 -7.403 1.00 0.00 C ATOM 872 C VAL A 119 60.176 5.432 -8.638 1.00 0.00 C ATOM 873 O VAL A 119 59.241 5.070 -9.354 1.00 0.00 O ATOM 874 CB VAL A 119 60.202 5.401 -6.144 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.676 5.500 -6.016 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.785 4.680 -4.926 1.00 0.00 C ATOM 0 H VAL A 119 62.586 5.071 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 119 60.029 3.675 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 119 60.611 6.409 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.422 6.058 -5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.270 6.014 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.250 4.498 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.528 5.229 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.374 3.672 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.869 4.624 -5.021 1.00 0.00 H new ATOM 886 N CYS A 120 60.886 6.535 -8.876 1.00 0.00 N ATOM 887 CA CYS A 120 60.581 7.394 -10.024 1.00 0.00 C ATOM 888 C CYS A 120 61.525 7.105 -11.188 1.00 0.00 C ATOM 889 O CYS A 120 61.153 7.216 -12.351 1.00 0.00 O ATOM 890 CB CYS A 120 60.738 8.863 -9.621 1.00 0.00 C ATOM 891 SG CYS A 120 60.609 9.023 -7.821 1.00 0.00 S ATOM 0 H CYS A 120 61.665 6.853 -8.300 1.00 0.00 H new ATOM 0 HA CYS A 120 59.557 7.191 -10.337 1.00 0.00 H new ATOM 0 HB2 CYS A 120 61.702 9.242 -9.961 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.970 9.466 -10.105 1.00 0.00 H new ATOM 896 N LYS A 121 62.741 6.719 -10.848 1.00 0.00 N ATOM 897 CA LYS A 121 63.768 6.393 -11.833 1.00 0.00 C ATOM 898 C LYS A 121 64.060 7.584 -12.736 1.00 0.00 C ATOM 899 O LYS A 121 64.585 7.429 -13.839 1.00 0.00 O ATOM 900 CB LYS A 121 63.309 5.179 -12.648 1.00 0.00 C ATOM 901 CG LYS A 121 63.932 3.892 -12.087 1.00 0.00 C ATOM 902 CD LYS A 121 62.864 3.066 -11.366 1.00 0.00 C ATOM 903 CE LYS A 121 63.324 1.616 -11.315 1.00 0.00 C ATOM 904 NZ LYS A 121 62.368 0.829 -10.488 1.00 0.00 N ATOM 0 H LYS A 121 63.050 6.621 -9.881 1.00 0.00 H new ATOM 0 HA LYS A 121 64.697 6.149 -11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 121 62.222 5.106 -12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.596 5.304 -13.692 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.371 3.308 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.739 4.139 -11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.707 3.449 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.910 3.142 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.378 1.203 -12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.326 1.554 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 62.776 -0.105 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.183 1.333 -9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.476 0.708 -11.009 1.00 0.00 H new ATOM 918 N GLN A 122 63.750 8.778 -12.241 1.00 0.00 N ATOM 919 CA GLN A 122 64.015 9.991 -12.989 1.00 0.00 C ATOM 920 C GLN A 122 63.730 11.217 -12.125 1.00 0.00 C ATOM 921 O GLN A 122 62.584 11.646 -12.003 1.00 0.00 O ATOM 922 CB GLN A 122 63.149 10.020 -14.246 1.00 0.00 C ATOM 923 CG GLN A 122 63.611 11.152 -15.166 1.00 0.00 C ATOM 924 CD GLN A 122 62.827 11.092 -16.473 1.00 0.00 C ATOM 925 OE1 GLN A 122 62.308 10.036 -16.837 1.00 0.00 O ATOM 926 NE2 GLN A 122 62.704 12.165 -17.201 1.00 0.00 N ATOM 0 H GLN A 122 63.317 8.926 -11.329 1.00 0.00 H new ATOM 0 HA GLN A 122 65.066 10.008 -13.279 1.00 0.00 H new ATOM 0 HB2 GLN A 122 63.216 9.065 -14.767 1.00 0.00 H new ATOM 0 HB3 GLN A 122 62.103 10.163 -13.975 1.00 0.00 H new ATOM 0 HG2 GLN A 122 63.458 12.116 -14.681 1.00 0.00 H new ATOM 0 HG3 GLN A 122 64.679 11.061 -15.365 1.00 0.00 H new ATOM 0 HE21 GLN A 122 63.134 13.039 -16.898 1.00 0.00 H new ATOM 0 HE22 GLN A 122 62.177 12.131 -18.074 1.00 0.00 H new ATOM 935 N GLN A 123 64.778 11.780 -11.533 1.00 0.00 N ATOM 936 CA GLN A 123 64.617 12.959 -10.687 1.00 0.00 C ATOM 937 C GLN A 123 64.737 14.232 -11.521 1.00 0.00 C ATOM 938 O GLN A 123 65.493 14.283 -12.487 1.00 0.00 O ATOM 939 CB GLN A 123 65.676 12.959 -9.586 1.00 0.00 C ATOM 940 CG GLN A 123 65.490 11.728 -8.692 1.00 0.00 C ATOM 941 CD GLN A 123 64.133 11.792 -8.005 1.00 0.00 C ATOM 942 OE1 GLN A 123 63.252 10.979 -8.284 1.00 0.00 O ATOM 943 NE2 GLN A 123 63.914 12.720 -7.113 1.00 0.00 N ATOM 0 H GLN A 123 65.737 11.445 -11.621 1.00 0.00 H new ATOM 0 HA GLN A 123 63.627 12.929 -10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.673 12.953 -10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.596 13.869 -8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.564 10.819 -9.289 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.284 11.685 -7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 123 64.647 13.392 -6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 123 63.010 12.773 -6.644 1.00 0.00 H new ATOM 952 N CYS A 124 63.985 15.259 -11.154 1.00 0.00 N ATOM 953 CA CYS A 124 64.038 16.507 -11.897 1.00 0.00 C ATOM 954 C CYS A 124 65.444 17.096 -11.852 1.00 0.00 C ATOM 955 O CYS A 124 65.988 17.513 -12.874 1.00 0.00 O ATOM 956 CB CYS A 124 63.047 17.506 -11.300 1.00 0.00 C ATOM 957 SG CYS A 124 61.357 16.971 -11.664 1.00 0.00 S ATOM 0 H CYS A 124 63.343 15.254 -10.362 1.00 0.00 H new ATOM 0 HA CYS A 124 63.774 16.305 -12.935 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.193 17.579 -10.222 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.222 18.499 -11.713 1.00 0.00 H new ATOM 0 HG CYS A 124 60.514 17.819 -11.154 1.00 0.00 H new ATOM 963 N PHE A 125 66.028 17.124 -10.658 1.00 0.00 N ATOM 964 CA PHE A 125 67.375 17.661 -10.492 1.00 0.00 C ATOM 965 C PHE A 125 68.130 16.907 -9.411 1.00 0.00 C ATOM 966 O PHE A 125 67.585 16.010 -8.768 1.00 0.00 O ATOM 967 CB PHE A 125 67.322 19.136 -10.118 1.00 0.00 C ATOM 968 CG PHE A 125 66.467 19.880 -11.117 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.159 20.256 -10.783 1.00 0.00 C ATOM 970 CD2 PHE A 125 66.979 20.187 -12.383 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.365 20.935 -11.713 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.184 20.868 -13.314 1.00 0.00 C ATOM 973 CZ PHE A 125 64.878 21.242 -12.979 1.00 0.00 C ATOM 0 H PHE A 125 65.595 16.785 -9.799 1.00 0.00 H new ATOM 0 HA PHE A 125 67.894 17.543 -11.443 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.912 19.253 -9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.328 19.554 -10.102 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.763 20.021 -9.806 1.00 0.00 H new ATOM 0 HD2 PHE A 125 67.987 19.899 -12.642 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.357 21.222 -11.455 1.00 0.00 H new ATOM 0 HE2 PHE A 125 66.579 21.104 -14.291 1.00 0.00 H new ATOM 0 HZ PHE A 125 64.266 21.767 -13.697 1.00 0.00 H new ATOM 983 N SER A 126 69.388 17.289 -9.205 1.00 0.00 N ATOM 984 CA SER A 126 70.203 16.652 -8.185 1.00 0.00 C ATOM 985 C SER A 126 70.601 17.636 -7.086 1.00 0.00 C ATOM 986 O SER A 126 71.710 17.595 -6.559 1.00 0.00 O ATOM 987 CB SER A 126 71.446 16.030 -8.804 1.00 0.00 C ATOM 988 OG SER A 126 71.849 16.797 -9.930 1.00 0.00 O ATOM 0 H SER A 126 69.858 18.029 -9.727 1.00 0.00 H new ATOM 0 HA SER A 126 69.600 15.866 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 126 72.251 15.992 -8.070 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.240 15.003 -9.105 1.00 0.00 H new ATOM 0 HG SER A 126 71.438 16.430 -10.740 1.00 0.00 H new ATOM 994 N LYS A 127 69.689 18.528 -6.754 1.00 0.00 N ATOM 995 CA LYS A 127 69.941 19.520 -5.715 1.00 0.00 C ATOM 996 C LYS A 127 69.529 19.007 -4.334 1.00 0.00 C ATOM 997 O LYS A 127 70.112 19.393 -3.321 1.00 0.00 O ATOM 998 CB LYS A 127 69.174 20.794 -6.035 1.00 0.00 C ATOM 999 CG LYS A 127 69.543 21.281 -7.441 1.00 0.00 C ATOM 1000 CD LYS A 127 71.031 21.646 -7.499 1.00 0.00 C ATOM 1001 CE LYS A 127 71.358 22.214 -8.879 1.00 0.00 C ATOM 1002 NZ LYS A 127 72.806 22.559 -8.938 1.00 0.00 N ATOM 0 H LYS A 127 68.767 18.590 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 127 71.012 19.721 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 127 68.102 20.609 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 127 69.407 21.564 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 127 69.322 20.504 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.937 22.148 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 127 71.268 22.377 -6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 127 71.641 20.765 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 127 71.114 21.485 -9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 127 70.753 23.100 -9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 73.033 22.946 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 73.024 23.268 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 73.374 21.704 -8.770 1.00 0.00 H new ATOM 1016 N ASP A 128 68.503 18.157 -4.297 1.00 0.00 N ATOM 1017 CA ASP A 128 68.005 17.620 -3.036 1.00 0.00 C ATOM 1018 C ASP A 128 68.346 16.142 -2.880 1.00 0.00 C ATOM 1019 O ASP A 128 67.710 15.430 -2.103 1.00 0.00 O ATOM 1020 CB ASP A 128 66.492 17.818 -2.962 1.00 0.00 C ATOM 1021 CG ASP A 128 66.176 19.297 -2.771 1.00 0.00 C ATOM 1022 OD1 ASP A 128 67.093 20.041 -2.464 1.00 0.00 O ATOM 1023 OD2 ASP A 128 65.025 19.663 -2.938 1.00 0.00 O ATOM 0 H ASP A 128 68.004 17.828 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 128 68.490 18.158 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 128 66.022 17.451 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.080 17.239 -2.136 1.00 0.00 H new ATOM 1028 N ILE A 129 69.346 15.690 -3.621 1.00 0.00 N ATOM 1029 CA ILE A 129 69.766 14.294 -3.554 1.00 0.00 C ATOM 1030 C ILE A 129 70.464 14.010 -2.233 1.00 0.00 C ATOM 1031 O ILE A 129 70.426 14.843 -1.327 1.00 0.00 O ATOM 1032 CB ILE A 129 70.716 13.972 -4.712 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.852 15.005 -4.739 1.00 0.00 C ATOM 1034 CG2 ILE A 129 69.937 13.989 -6.029 1.00 0.00 C ATOM 1035 CD1 ILE A 129 72.956 14.541 -5.695 1.00 0.00 C ATOM 0 H ILE A 129 69.881 16.264 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 129 68.878 13.666 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 129 71.148 12.980 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.467 15.974 -5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.259 15.137 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 129 70.612 13.760 -6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.143 13.243 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.500 14.976 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.759 15.278 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.350 13.582 -5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 129 72.546 14.432 -6.699 1.00 0.00 H new ATOM 1047 N VAL A 130 71.090 12.828 -2.134 1.00 0.00 N ATOM 1048 CA VAL A 130 71.803 12.428 -0.924 1.00 0.00 C ATOM 1049 C VAL A 130 72.506 13.616 -0.320 1.00 0.00 C ATOM 1050 O VAL A 130 73.476 14.110 -0.880 1.00 0.00 O ATOM 1051 CB VAL A 130 72.836 11.345 -1.249 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.403 11.579 -2.656 1.00 0.00 C ATOM 1053 CG2 VAL A 130 73.985 11.385 -0.225 1.00 0.00 C ATOM 0 H VAL A 130 71.114 12.135 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 130 71.077 12.033 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 130 72.350 10.370 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.138 10.807 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.594 11.538 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 130 73.880 12.558 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 130 74.714 10.611 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 130 74.468 12.361 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.587 11.211 0.775 1.00 0.00 H new ATOM 1063 N GLU A 131 71.977 14.061 0.816 1.00 0.00 N ATOM 1064 CA GLU A 131 72.503 15.211 1.542 1.00 0.00 C ATOM 1065 C GLU A 131 71.511 15.714 2.570 1.00 0.00 C ATOM 1066 O GLU A 131 71.898 16.266 3.596 1.00 0.00 O ATOM 1067 CB GLU A 131 72.780 16.368 0.600 1.00 0.00 C ATOM 1068 CG GLU A 131 74.288 16.467 0.381 1.00 0.00 C ATOM 1069 CD GLU A 131 74.612 17.250 -0.885 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.863 18.155 -1.211 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.611 16.933 -1.512 1.00 0.00 O ATOM 0 H GLU A 131 71.166 13.631 1.261 1.00 0.00 H new ATOM 0 HA GLU A 131 73.420 14.874 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.269 16.213 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.397 17.298 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.752 16.952 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.714 15.466 0.312 1.00 0.00 H new ATOM 1078 N ASN A 132 70.227 15.567 2.276 1.00 0.00 N ATOM 1079 CA ASN A 132 69.216 16.069 3.182 1.00 0.00 C ATOM 1080 C ASN A 132 68.756 14.988 4.151 1.00 0.00 C ATOM 1081 O ASN A 132 67.764 14.303 3.896 1.00 0.00 O ATOM 1082 CB ASN A 132 68.012 16.591 2.399 1.00 0.00 C ATOM 1083 CG ASN A 132 68.486 17.378 1.185 1.00 0.00 C ATOM 1084 OD1 ASN A 132 68.586 18.604 1.236 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.799 16.737 0.095 1.00 0.00 N ATOM 0 H ASN A 132 69.870 15.114 1.435 1.00 0.00 H new ATOM 0 HA ASN A 132 69.662 16.883 3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.385 15.758 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.399 17.226 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.129 17.251 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.714 15.721 0.059 1.00 0.00 H new ATOM 1092 N TYR A 133 69.475 14.834 5.257 1.00 0.00 N ATOM 1093 CA TYR A 133 69.118 13.831 6.244 1.00 0.00 C ATOM 1094 C TYR A 133 68.222 14.427 7.327 1.00 0.00 C ATOM 1095 O TYR A 133 68.464 15.537 7.805 1.00 0.00 O ATOM 1096 CB TYR A 133 70.388 13.277 6.882 1.00 0.00 C ATOM 1097 CG TYR A 133 71.045 14.334 7.732 1.00 0.00 C ATOM 1098 CD1 TYR A 133 70.731 14.414 9.087 1.00 0.00 C ATOM 1099 CD2 TYR A 133 71.964 15.228 7.169 1.00 0.00 C ATOM 1100 CE1 TYR A 133 71.334 15.388 9.891 1.00 0.00 C ATOM 1101 CE2 TYR A 133 72.569 16.203 7.971 1.00 0.00 C ATOM 1102 CZ TYR A 133 72.254 16.284 9.333 1.00 0.00 C ATOM 1103 OH TYR A 133 72.847 17.249 10.122 1.00 0.00 O ATOM 0 H TYR A 133 70.300 15.387 5.488 1.00 0.00 H new ATOM 0 HA TYR A 133 68.570 13.031 5.745 1.00 0.00 H new ATOM 0 HB2 TYR A 133 70.148 12.406 7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.077 12.942 6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 133 70.021 13.723 9.518 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.206 15.165 6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 133 71.090 15.448 10.941 1.00 0.00 H new ATOM 0 HE2 TYR A 133 73.279 16.893 7.539 1.00 0.00 H new ATOM 0 HH TYR A 133 73.460 17.786 9.577 1.00 0.00 H new ATOM 1113 N PHE A 134 67.186 13.685 7.716 1.00 0.00 N ATOM 1114 CA PHE A 134 66.269 14.158 8.745 1.00 0.00 C ATOM 1115 C PHE A 134 66.679 13.623 10.113 1.00 0.00 C ATOM 1116 O PHE A 134 67.239 14.351 10.933 1.00 0.00 O ATOM 1117 CB PHE A 134 64.841 13.712 8.419 1.00 0.00 C ATOM 1118 CG PHE A 134 63.925 14.049 9.566 1.00 0.00 C ATOM 1119 CD1 PHE A 134 63.467 15.353 9.713 1.00 0.00 C ATOM 1120 CD2 PHE A 134 63.535 13.060 10.479 1.00 0.00 C ATOM 1121 CE1 PHE A 134 62.617 15.687 10.773 1.00 0.00 C ATOM 1122 CE2 PHE A 134 62.685 13.387 11.541 1.00 0.00 C ATOM 1123 CZ PHE A 134 62.225 14.702 11.688 1.00 0.00 C ATOM 0 H PHE A 134 66.964 12.764 7.337 1.00 0.00 H new ATOM 0 HA PHE A 134 66.308 15.247 8.770 1.00 0.00 H new ATOM 0 HB2 PHE A 134 64.496 14.204 7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 134 64.820 12.639 8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 134 63.769 16.112 9.006 1.00 0.00 H new ATOM 0 HD2 PHE A 134 63.890 12.047 10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 134 62.264 16.702 10.885 1.00 0.00 H new ATOM 0 HE2 PHE A 134 62.384 12.627 12.246 1.00 0.00 H new ATOM 0 HZ PHE A 134 61.568 14.956 12.507 1.00 0.00 H new ATOM 1133 N MET A 135 66.398 12.349 10.350 1.00 0.00 N ATOM 1134 CA MET A 135 66.737 11.721 11.617 1.00 0.00 C ATOM 1135 C MET A 135 67.109 10.261 11.407 1.00 0.00 C ATOM 1136 O MET A 135 66.514 9.569 10.580 1.00 0.00 O ATOM 1137 CB MET A 135 65.552 11.813 12.573 1.00 0.00 C ATOM 1138 CG MET A 135 65.967 11.274 13.942 1.00 0.00 C ATOM 1139 SD MET A 135 64.602 11.466 15.116 1.00 0.00 S ATOM 1140 CE MET A 135 65.418 10.718 16.552 1.00 0.00 C ATOM 0 H MET A 135 65.937 11.732 9.682 1.00 0.00 H new ATOM 0 HA MET A 135 67.593 12.244 12.045 1.00 0.00 H new ATOM 0 HB2 MET A 135 65.220 12.848 12.662 1.00 0.00 H new ATOM 0 HB3 MET A 135 64.710 11.241 12.184 1.00 0.00 H new ATOM 0 HG2 MET A 135 66.244 10.223 13.861 1.00 0.00 H new ATOM 0 HG3 MET A 135 66.846 11.808 14.302 1.00 0.00 H new ATOM 0 HE1 MET A 135 64.740 10.734 17.405 1.00 0.00 H new ATOM 0 HE2 MET A 135 65.687 9.687 16.321 1.00 0.00 H new ATOM 0 HE3 MET A 135 66.318 11.283 16.794 1.00 0.00 H new ATOM 1150 N ARG A 136 68.095 9.792 12.164 1.00 0.00 N ATOM 1151 CA ARG A 136 68.533 8.408 12.048 1.00 0.00 C ATOM 1152 C ARG A 136 67.646 7.499 12.890 1.00 0.00 C ATOM 1153 O ARG A 136 68.108 6.890 13.856 1.00 0.00 O ATOM 1154 CB ARG A 136 69.984 8.279 12.508 1.00 0.00 C ATOM 1155 CG ARG A 136 70.896 8.993 11.513 1.00 0.00 C ATOM 1156 CD ARG A 136 72.346 8.578 11.762 1.00 0.00 C ATOM 1157 NE ARG A 136 72.776 8.992 13.097 1.00 0.00 N ATOM 1158 CZ ARG A 136 73.951 8.610 13.604 1.00 0.00 C ATOM 1159 NH1 ARG A 136 74.761 7.843 12.918 1.00 0.00 N ATOM 1160 NH2 ARG A 136 74.296 9.001 14.799 1.00 0.00 N ATOM 0 H ARG A 136 68.601 10.344 12.857 1.00 0.00 H new ATOM 0 HA ARG A 136 68.458 8.106 11.003 1.00 0.00 H new ATOM 0 HB2 ARG A 136 70.102 8.711 13.502 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.261 7.228 12.583 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.605 8.743 10.493 1.00 0.00 H new ATOM 0 HG3 ARG A 136 70.792 10.073 11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 136 72.443 7.497 11.661 1.00 0.00 H new ATOM 0 HD3 ARG A 136 72.993 9.028 11.009 1.00 0.00 H new ATOM 0 HE ARG A 136 72.163 9.587 13.655 1.00 0.00 H new ATOM 0 HH11 ARG A 136 74.498 7.530 11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 136 75.655 7.559 13.318 1.00 0.00 H new ATOM 0 HH21 ARG A 136 73.670 9.596 15.342 1.00 0.00 H new ATOM 0 HH22 ARG A 136 75.192 8.712 15.191 1.00 0.00 H new ATOM 1174 N ASP A 137 66.373 7.408 12.519 1.00 0.00 N ATOM 1175 CA ASP A 137 65.440 6.567 13.254 1.00 0.00 C ATOM 1176 C ASP A 137 65.927 5.124 13.261 1.00 0.00 C ATOM 1177 O ASP A 137 66.125 4.525 12.203 1.00 0.00 O ATOM 1178 CB ASP A 137 64.061 6.639 12.609 1.00 0.00 C ATOM 1179 CG ASP A 137 63.424 7.998 12.878 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.916 8.699 13.747 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.457 8.318 12.208 1.00 0.00 O ATOM 0 H ASP A 137 65.969 7.901 11.723 1.00 0.00 H new ATOM 0 HA ASP A 137 65.378 6.926 14.281 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.145 6.475 11.535 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.425 5.847 13.004 1.00 0.00 H new ATOM 1186 N SER A 138 66.113 4.579 14.464 1.00 0.00 N ATOM 1187 CA SER A 138 66.586 3.207 14.624 1.00 0.00 C ATOM 1188 C SER A 138 66.934 2.920 16.084 1.00 0.00 C ATOM 1189 O SER A 138 66.283 2.111 16.740 1.00 0.00 O ATOM 1190 CB SER A 138 67.826 2.981 13.767 1.00 0.00 C ATOM 1191 OG SER A 138 68.484 4.224 13.564 1.00 0.00 O ATOM 0 H SER A 138 65.942 5.069 15.342 1.00 0.00 H new ATOM 0 HA SER A 138 65.788 2.535 14.308 1.00 0.00 H new ATOM 0 HB2 SER A 138 68.498 2.276 14.256 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.546 2.543 12.809 1.00 0.00 H new ATOM 0 HG SER A 138 68.668 4.344 12.609 1.00 0.00 H new ATOM 1197 N GLY A 139 67.974 3.584 16.586 1.00 0.00 N ATOM 1198 CA GLY A 139 68.402 3.386 17.967 1.00 0.00 C ATOM 1199 C GLY A 139 67.285 3.749 18.936 1.00 0.00 C ATOM 1200 O GLY A 139 67.074 3.068 19.940 1.00 0.00 O ATOM 0 H GLY A 139 68.531 4.258 16.061 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.696 2.347 18.116 1.00 0.00 H new ATOM 0 HA3 GLY A 139 69.280 3.998 18.172 1.00 0.00 H new ATOM 1204 N SER A 140 66.569 4.819 18.618 1.00 0.00 N ATOM 1205 CA SER A 140 65.464 5.271 19.455 1.00 0.00 C ATOM 1206 C SER A 140 64.430 4.166 19.612 1.00 0.00 C ATOM 1207 O SER A 140 63.683 4.131 20.588 1.00 0.00 O ATOM 1208 CB SER A 140 64.809 6.510 18.845 1.00 0.00 C ATOM 1209 OG SER A 140 63.773 6.964 19.707 1.00 0.00 O ATOM 0 H SER A 140 66.732 5.390 17.789 1.00 0.00 H new ATOM 0 HA SER A 140 65.860 5.526 20.438 1.00 0.00 H new ATOM 0 HB2 SER A 140 65.551 7.296 18.703 1.00 0.00 H new ATOM 0 HB3 SER A 140 64.403 6.274 17.861 1.00 0.00 H new ATOM 0 HG SER A 140 62.910 6.627 19.387 1.00 0.00 H new ATOM 1215 N LYS A 141 64.387 3.272 18.634 1.00 0.00 N ATOM 1216 CA LYS A 141 63.434 2.172 18.654 1.00 0.00 C ATOM 1217 C LYS A 141 63.632 1.324 19.909 1.00 0.00 C ATOM 1218 O LYS A 141 62.665 0.897 20.540 1.00 0.00 O ATOM 1219 CB LYS A 141 63.633 1.288 17.418 1.00 0.00 C ATOM 1220 CG LYS A 141 62.498 0.262 17.336 1.00 0.00 C ATOM 1221 CD LYS A 141 61.207 0.958 16.890 1.00 0.00 C ATOM 1222 CE LYS A 141 60.131 -0.091 16.597 1.00 0.00 C ATOM 1223 NZ LYS A 141 59.727 -0.761 17.866 1.00 0.00 N ATOM 0 H LYS A 141 65.000 3.287 17.819 1.00 0.00 H new ATOM 0 HA LYS A 141 62.426 2.587 18.653 1.00 0.00 H new ATOM 0 HB2 LYS A 141 63.649 1.902 16.517 1.00 0.00 H new ATOM 0 HB3 LYS A 141 64.595 0.778 17.473 1.00 0.00 H new ATOM 0 HG2 LYS A 141 62.759 -0.528 16.632 1.00 0.00 H new ATOM 0 HG3 LYS A 141 62.351 -0.211 18.307 1.00 0.00 H new ATOM 0 HD2 LYS A 141 60.862 1.639 17.668 1.00 0.00 H new ATOM 0 HD3 LYS A 141 61.395 1.559 16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 141 59.266 0.381 16.132 1.00 0.00 H new ATOM 0 HE3 LYS A 141 60.511 -0.828 15.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 58.885 -1.347 17.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 60.505 -1.362 18.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 59.509 -0.041 18.584 1.00 0.00 H new ATOM 1237 N ALA A 142 64.891 1.083 20.268 1.00 0.00 N ATOM 1238 CA ALA A 142 65.204 0.289 21.449 1.00 0.00 C ATOM 1239 C ALA A 142 66.151 1.043 22.377 1.00 0.00 C ATOM 1240 O ALA A 142 67.064 0.458 22.957 1.00 0.00 O ATOM 1241 CB ALA A 142 65.842 -1.039 21.035 1.00 0.00 C ATOM 0 H ALA A 142 65.706 1.425 19.759 1.00 0.00 H new ATOM 0 HA ALA A 142 64.274 0.095 21.983 1.00 0.00 H new ATOM 0 HB1 ALA A 142 66.072 -1.625 21.925 1.00 0.00 H new ATOM 0 HB2 ALA A 142 65.149 -1.595 20.404 1.00 0.00 H new ATOM 0 HB3 ALA A 142 66.760 -0.844 20.481 1.00 0.00 H new ATOM 1247 N ALA A 143 65.927 2.346 22.514 1.00 0.00 N ATOM 1248 CA ALA A 143 66.766 3.173 23.374 1.00 0.00 C ATOM 1249 C ALA A 143 66.693 2.686 24.818 1.00 0.00 C ATOM 1250 O ALA A 143 67.698 2.671 25.529 1.00 0.00 O ATOM 1251 CB ALA A 143 66.316 4.633 23.297 1.00 0.00 C ATOM 0 H ALA A 143 65.176 2.850 22.043 1.00 0.00 H new ATOM 0 HA ALA A 143 67.797 3.096 23.029 1.00 0.00 H new ATOM 0 HB1 ALA A 143 66.948 5.243 23.942 1.00 0.00 H new ATOM 0 HB2 ALA A 143 66.399 4.986 22.269 1.00 0.00 H new ATOM 0 HB3 ALA A 143 65.279 4.712 23.625 1.00 0.00 H new ATOM 1257 N THR A 144 65.499 2.290 25.244 1.00 0.00 N ATOM 1258 CA THR A 144 65.308 1.807 26.606 1.00 0.00 C ATOM 1259 C THR A 144 66.164 0.570 26.858 1.00 0.00 C ATOM 1260 O THR A 144 66.813 0.454 27.898 1.00 0.00 O ATOM 1261 CB THR A 144 63.834 1.466 26.837 1.00 0.00 C ATOM 1262 OG1 THR A 144 63.046 2.635 26.656 1.00 0.00 O ATOM 1263 CG2 THR A 144 63.643 0.936 28.259 1.00 0.00 C ATOM 0 H THR A 144 64.655 2.294 24.671 1.00 0.00 H new ATOM 0 HA THR A 144 65.611 2.593 27.298 1.00 0.00 H new ATOM 0 HB THR A 144 63.524 0.702 26.125 1.00 0.00 H new ATOM 0 HG1 THR A 144 62.101 2.419 26.802 1.00 0.00 H new ATOM 0 HG21 THR A 144 62.592 0.694 28.419 1.00 0.00 H new ATOM 0 HG22 THR A 144 64.247 0.039 28.397 1.00 0.00 H new ATOM 0 HG23 THR A 144 63.954 1.696 28.975 1.00 0.00 H new ATOM 1271 N ASP A 145 66.166 -0.350 25.898 1.00 0.00 N ATOM 1272 CA ASP A 145 66.952 -1.571 26.028 1.00 0.00 C ATOM 1273 C ASP A 145 68.410 -1.243 26.334 1.00 0.00 C ATOM 1274 O ASP A 145 69.047 -2.038 27.004 1.00 0.00 O ATOM 1275 CB ASP A 145 66.871 -2.386 24.735 1.00 0.00 C ATOM 1276 CG ASP A 145 67.307 -3.824 24.992 1.00 0.00 C ATOM 1277 OD1 ASP A 145 67.378 -4.203 26.149 1.00 0.00 O ATOM 1278 OD2 ASP A 145 67.566 -4.525 24.029 1.00 0.00 O ATOM 1279 OXT ASP A 145 68.866 -0.201 25.893 1.00 0.00 O ATOM 0 H ASP A 145 65.637 -0.274 25.029 1.00 0.00 H new ATOM 0 HA ASP A 145 66.543 -2.155 26.852 1.00 0.00 H new ATOM 0 HB2 ASP A 145 65.851 -2.371 24.350 1.00 0.00 H new ATOM 0 HB3 ASP A 145 67.507 -1.936 23.972 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 61.776 8.282 -5.892 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.381 0.708 1.246 1.00 0.00 ZN