USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 560 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 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-4.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0369 (180deg=-0.294) USER MOD Single : A 81 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 162:sc= -5.56! (180deg=-6.03!) USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00952 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -161:sc= -0.166 (180deg=-0.819) USER MOD Single : A 97 TYR OH : rot -85:sc=0.000856 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc= 1.35 F(o=-0.0094,f=1.3) USER MOD Single : A 108 LYS NZ :NH3+ 154:sc= -0.0772 (180deg=-0.527) USER MOD Single : A 119 SER OG : rot -58:sc= 0.69 USER MOD Single : A 120 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.429) USER MOD Single : A 122 LYS NZ :NH3+ -153:sc= -0.103 (180deg=-0.6) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -162:sc= -0.476 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 -6.709 14.503 -5.377 1.00 0.00 N ATOM 2 CA GLY A 56 -6.770 14.423 -3.930 1.00 0.00 C ATOM 3 C GLY A 56 -7.336 13.102 -3.445 1.00 0.00 C ATOM 4 O GLY A 56 -7.207 12.080 -4.119 1.00 0.00 O ATOM 0 HA2 GLY A 56 -5.769 14.559 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.384 15.239 -3.550 1.00 0.00 H new ATOM 8 N SER A 57 -7.962 13.123 -2.273 1.00 0.00 N ATOM 9 CA SER A 57 -8.545 11.917 -1.697 1.00 0.00 C ATOM 10 C SER A 57 -9.593 11.320 -2.630 1.00 0.00 C ATOM 11 O SER A 57 -10.664 11.895 -2.828 1.00 0.00 O ATOM 12 CB SER A 57 -9.174 12.229 -0.337 1.00 0.00 C ATOM 13 OG SER A 57 -8.205 12.190 0.695 1.00 0.00 O ATOM 0 H SER A 57 -8.079 13.961 -1.704 1.00 0.00 H new ATOM 0 HA SER A 57 -7.747 11.187 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.639 13.214 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.965 11.509 -0.125 1.00 0.00 H new ATOM 0 HG SER A 57 -8.632 12.394 1.553 1.00 0.00 H new ATOM 19 N SER A 58 -9.277 10.163 -3.202 1.00 0.00 N ATOM 20 CA SER A 58 -10.189 9.489 -4.119 1.00 0.00 C ATOM 21 C SER A 58 -11.032 8.452 -3.382 1.00 0.00 C ATOM 22 O SER A 58 -11.501 7.482 -3.975 1.00 0.00 O ATOM 23 CB SER A 58 -9.406 8.817 -5.248 1.00 0.00 C ATOM 24 OG SER A 58 -8.889 9.778 -6.152 1.00 0.00 O ATOM 0 H SER A 58 -8.396 9.672 -3.047 1.00 0.00 H new ATOM 0 HA SER A 58 -10.856 10.238 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.588 8.231 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.055 8.123 -5.782 1.00 0.00 H new ATOM 0 HG SER A 58 -8.391 9.323 -6.863 1.00 0.00 H new ATOM 30 N GLY A 59 -11.219 8.666 -2.083 1.00 0.00 N ATOM 31 CA GLY A 59 -12.005 7.743 -1.285 1.00 0.00 C ATOM 32 C GLY A 59 -11.821 7.962 0.203 1.00 0.00 C ATOM 33 O GLY A 59 -10.931 8.701 0.624 1.00 0.00 O ATOM 0 H GLY A 59 -10.840 9.462 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.059 7.855 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.724 6.720 -1.536 1.00 0.00 H new ATOM 37 N SER A 60 -12.667 7.320 1.003 1.00 0.00 N ATOM 38 CA SER A 60 -12.598 7.453 2.454 1.00 0.00 C ATOM 39 C SER A 60 -11.454 6.618 3.022 1.00 0.00 C ATOM 40 O SER A 60 -11.297 5.446 2.678 1.00 0.00 O ATOM 41 CB SER A 60 -13.922 7.026 3.090 1.00 0.00 C ATOM 42 OG SER A 60 -13.984 7.418 4.451 1.00 0.00 O ATOM 0 H SER A 60 -13.408 6.703 0.671 1.00 0.00 H new ATOM 0 HA SER A 60 -12.412 8.501 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.753 7.471 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.033 5.944 3.014 1.00 0.00 H new ATOM 0 HG SER A 60 -14.840 7.135 4.834 1.00 0.00 H new ATOM 48 N SER A 61 -10.659 7.230 3.893 1.00 0.00 N ATOM 49 CA SER A 61 -9.527 6.545 4.507 1.00 0.00 C ATOM 50 C SER A 61 -9.993 5.323 5.293 1.00 0.00 C ATOM 51 O SER A 61 -11.061 5.334 5.903 1.00 0.00 O ATOM 52 CB SER A 61 -8.765 7.499 5.429 1.00 0.00 C ATOM 53 OG SER A 61 -9.601 7.979 6.468 1.00 0.00 O ATOM 0 H SER A 61 -10.777 8.199 4.190 1.00 0.00 H new ATOM 0 HA SER A 61 -8.861 6.211 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.904 6.986 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.380 8.339 4.851 1.00 0.00 H new ATOM 0 HG SER A 61 -9.091 8.585 7.045 1.00 0.00 H new ATOM 59 N GLY A 62 -9.182 4.270 5.273 1.00 0.00 N ATOM 60 CA GLY A 62 -9.527 3.054 5.986 1.00 0.00 C ATOM 61 C GLY A 62 -10.378 2.115 5.155 1.00 0.00 C ATOM 62 O GLY A 62 -11.172 1.346 5.695 1.00 0.00 O ATOM 0 H GLY A 62 -8.292 4.237 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.613 2.541 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.063 3.312 6.900 1.00 0.00 H new ATOM 66 N GLU A 63 -10.214 2.180 3.837 1.00 0.00 N ATOM 67 CA GLU A 63 -10.976 1.330 2.930 1.00 0.00 C ATOM 68 C GLU A 63 -10.582 -0.135 3.096 1.00 0.00 C ATOM 69 O GLU A 63 -9.748 -0.474 3.936 1.00 0.00 O ATOM 70 CB GLU A 63 -10.757 1.767 1.481 1.00 0.00 C ATOM 71 CG GLU A 63 -9.294 1.814 1.073 1.00 0.00 C ATOM 72 CD GLU A 63 -9.010 2.884 0.038 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.378 2.683 -1.139 1.00 0.00 O ATOM 74 OE2 GLU A 63 -8.421 3.923 0.403 1.00 0.00 O ATOM 0 H GLU A 63 -9.561 2.812 3.374 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.032 1.434 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.288 1.082 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.197 2.754 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.681 1.996 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.000 0.842 0.675 1.00 0.00 H new ATOM 81 N LYS A 64 -11.187 -1.000 2.290 1.00 0.00 N ATOM 82 CA LYS A 64 -10.901 -2.428 2.345 1.00 0.00 C ATOM 83 C LYS A 64 -9.601 -2.751 1.615 1.00 0.00 C ATOM 84 O LYS A 64 -9.300 -3.914 1.344 1.00 0.00 O ATOM 85 CB LYS A 64 -12.054 -3.225 1.731 1.00 0.00 C ATOM 86 CG LYS A 64 -13.426 -2.756 2.184 1.00 0.00 C ATOM 87 CD LYS A 64 -14.534 -3.419 1.383 1.00 0.00 C ATOM 88 CE LYS A 64 -14.722 -4.873 1.789 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.504 -5.635 0.776 1.00 0.00 N ATOM 0 H LYS A 64 -11.880 -0.736 1.590 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.790 -2.710 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.995 -3.155 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.935 -4.277 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.557 -2.980 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.495 -1.674 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.467 -2.875 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.299 -3.364 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.747 -5.342 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.232 -4.918 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.610 -6.621 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.444 -5.203 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.005 -5.614 -0.136 1.00 0.00 H new ATOM 103 N THR A 65 -8.831 -1.713 1.300 1.00 0.00 N ATOM 104 CA THR A 65 -7.563 -1.887 0.602 1.00 0.00 C ATOM 105 C THR A 65 -6.848 -3.150 1.067 1.00 0.00 C ATOM 106 O THR A 65 -6.101 -3.767 0.308 1.00 0.00 O ATOM 107 CB THR A 65 -6.634 -0.677 0.816 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.320 -0.976 0.333 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.565 -0.301 2.289 1.00 0.00 C ATOM 0 H THR A 65 -9.064 -0.744 1.517 1.00 0.00 H new ATOM 0 HA THR A 65 -7.796 -1.975 -0.459 1.00 0.00 H new ATOM 0 HB THR A 65 -7.041 0.168 0.260 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.736 -0.201 0.471 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.903 0.556 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.562 -0.045 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.180 -1.144 2.862 1.00 0.00 H new ATOM 117 N VAL A 66 -7.082 -3.531 2.319 1.00 0.00 N ATOM 118 CA VAL A 66 -6.461 -4.723 2.884 1.00 0.00 C ATOM 119 C VAL A 66 -7.461 -5.868 2.985 1.00 0.00 C ATOM 120 O VAL A 66 -8.654 -5.648 3.199 1.00 0.00 O ATOM 121 CB VAL A 66 -5.875 -4.442 4.281 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.597 -5.744 5.015 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.612 -3.602 4.170 1.00 0.00 C ATOM 0 H VAL A 66 -7.697 -3.031 2.961 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.653 -5.009 2.210 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.609 -3.878 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.184 -5.526 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.526 -6.304 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.882 -6.338 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.212 -3.413 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.870 -4.137 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.847 -2.653 3.688 1.00 0.00 H new ATOM 133 N VAL A 67 -6.968 -7.093 2.831 1.00 0.00 N ATOM 134 CA VAL A 67 -7.819 -8.275 2.907 1.00 0.00 C ATOM 135 C VAL A 67 -7.968 -8.753 4.347 1.00 0.00 C ATOM 136 O VAL A 67 -6.982 -8.897 5.070 1.00 0.00 O ATOM 137 CB VAL A 67 -7.258 -9.426 2.050 1.00 0.00 C ATOM 138 CG1 VAL A 67 -8.093 -10.684 2.234 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.203 -9.021 0.585 1.00 0.00 C ATOM 0 H VAL A 67 -5.984 -7.293 2.653 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.797 -7.987 2.520 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.242 -9.642 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.682 -11.486 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.075 -10.982 3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.121 -10.486 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.804 -9.846 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.207 -8.777 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.558 -8.149 0.472 1.00 0.00 H new ATOM 149 N CYS A 68 -9.208 -8.999 4.757 1.00 0.00 N ATOM 150 CA CYS A 68 -9.488 -9.462 6.111 1.00 0.00 C ATOM 151 C CYS A 68 -8.577 -10.627 6.487 1.00 0.00 C ATOM 152 O CYS A 68 -8.369 -11.548 5.696 1.00 0.00 O ATOM 153 CB CYS A 68 -10.953 -9.885 6.235 1.00 0.00 C ATOM 154 SG CYS A 68 -11.542 -10.029 7.953 1.00 0.00 S ATOM 0 H CYS A 68 -10.035 -8.885 4.171 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.296 -8.637 6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.575 -9.161 5.708 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.087 -10.844 5.735 1.00 0.00 H new ATOM 159 N LYS A 69 -8.037 -10.582 7.700 1.00 0.00 N ATOM 160 CA LYS A 69 -7.150 -11.633 8.183 1.00 0.00 C ATOM 161 C LYS A 69 -7.947 -12.768 8.817 1.00 0.00 C ATOM 162 O LYS A 69 -7.453 -13.889 8.949 1.00 0.00 O ATOM 163 CB LYS A 69 -6.156 -11.064 9.198 1.00 0.00 C ATOM 164 CG LYS A 69 -6.803 -10.182 10.253 1.00 0.00 C ATOM 165 CD LYS A 69 -6.046 -10.241 11.569 1.00 0.00 C ATOM 166 CE LYS A 69 -6.472 -11.439 12.405 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.569 -11.653 13.569 1.00 0.00 N ATOM 0 H LYS A 69 -8.199 -9.828 8.367 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.600 -12.031 7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.641 -11.888 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.399 -10.486 8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.836 -9.152 9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.834 -10.498 10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.975 -10.296 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.220 -9.324 12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.492 -11.290 12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.479 -12.333 11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.893 -12.478 14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.600 -11.820 13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.582 -10.810 14.178 1.00 0.00 H new ATOM 181 N HIS A 70 -9.182 -12.472 9.207 1.00 0.00 N ATOM 182 CA HIS A 70 -10.049 -13.470 9.826 1.00 0.00 C ATOM 183 C HIS A 70 -10.668 -14.381 8.770 1.00 0.00 C ATOM 184 O HIS A 70 -10.619 -15.605 8.887 1.00 0.00 O ATOM 185 CB HIS A 70 -11.150 -12.787 10.636 1.00 0.00 C ATOM 186 CG HIS A 70 -10.637 -11.760 11.599 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.084 -10.563 11.198 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.597 -11.758 12.952 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.724 -9.868 12.263 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.025 -10.571 13.340 1.00 0.00 N ATOM 0 H HIS A 70 -9.606 -11.550 9.106 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.441 -14.079 10.495 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.852 -12.312 9.951 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.707 -13.544 11.188 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.949 -12.543 13.605 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.262 -8.892 12.254 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.860 -10.280 14.303 1.00 0.00 H new ATOM 198 N TRP A 71 -11.251 -13.776 7.742 1.00 0.00 N ATOM 199 CA TRP A 71 -11.880 -14.533 6.666 1.00 0.00 C ATOM 200 C TRP A 71 -10.895 -15.517 6.044 1.00 0.00 C ATOM 201 O TRP A 71 -11.266 -16.632 5.675 1.00 0.00 O ATOM 202 CB TRP A 71 -12.419 -13.584 5.594 1.00 0.00 C ATOM 203 CG TRP A 71 -12.573 -14.232 4.251 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.632 -14.978 3.818 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.637 -14.193 3.168 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.411 -15.404 2.530 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.195 -14.936 2.109 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.384 -13.601 2.989 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.540 -15.102 0.891 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.736 -13.767 1.780 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.315 -14.511 0.743 1.00 0.00 C ATOM 0 H TRP A 71 -11.301 -12.763 7.631 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.710 -15.099 7.090 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.386 -13.196 5.915 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.747 -12.731 5.503 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.513 -15.200 4.402 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.049 -15.976 1.977 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.930 -13.024 3.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.984 -15.677 0.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.766 -13.315 1.632 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.784 -14.620 -0.191 1.00 0.00 H new ATOM 222 N LEU A 72 -9.640 -15.098 5.930 1.00 0.00 N ATOM 223 CA LEU A 72 -8.601 -15.943 5.353 1.00 0.00 C ATOM 224 C LEU A 72 -8.639 -17.343 5.958 1.00 0.00 C ATOM 225 O LEU A 72 -8.665 -18.341 5.237 1.00 0.00 O ATOM 226 CB LEU A 72 -7.223 -15.317 5.576 1.00 0.00 C ATOM 227 CG LEU A 72 -6.854 -14.160 4.646 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.565 -13.497 5.106 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.721 -14.651 3.212 1.00 0.00 C ATOM 0 H LEU A 72 -9.317 -14.178 6.230 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.787 -16.024 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.170 -14.961 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.470 -16.097 5.469 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.653 -13.419 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.318 -12.676 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.695 -13.111 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.757 -14.228 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.458 -13.815 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.941 -15.411 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.668 -15.080 2.885 1.00 0.00 H new ATOM 241 N ARG A 73 -8.644 -17.409 7.285 1.00 0.00 N ATOM 242 CA ARG A 73 -8.680 -18.686 7.987 1.00 0.00 C ATOM 243 C ARG A 73 -10.115 -19.082 8.322 1.00 0.00 C ATOM 244 O ARG A 73 -10.351 -19.961 9.149 1.00 0.00 O ATOM 245 CB ARG A 73 -7.848 -18.612 9.268 1.00 0.00 C ATOM 246 CG ARG A 73 -6.388 -18.985 9.068 1.00 0.00 C ATOM 247 CD ARG A 73 -5.790 -19.591 10.329 1.00 0.00 C ATOM 248 NE ARG A 73 -4.459 -20.143 10.092 1.00 0.00 N ATOM 249 CZ ARG A 73 -3.853 -20.982 10.925 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.457 -21.364 12.042 1.00 0.00 N ATOM 251 NH2 ARG A 73 -2.641 -21.441 10.641 1.00 0.00 N ATOM 0 H ARG A 73 -8.624 -16.593 7.896 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.256 -19.445 7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.904 -17.600 9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.285 -19.276 10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.302 -19.695 8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.820 -18.099 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.733 -18.829 11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.448 -20.377 10.701 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.968 -19.870 9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.389 -21.014 12.263 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.990 -22.008 12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.174 -21.150 9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.177 -22.085 11.281 1.00 0.00 H new ATOM 265 N GLY A 74 -11.072 -18.425 7.673 1.00 0.00 N ATOM 266 CA GLY A 74 -12.472 -18.722 7.916 1.00 0.00 C ATOM 267 C GLY A 74 -12.882 -18.450 9.350 1.00 0.00 C ATOM 268 O GLY A 74 -13.462 -19.312 10.011 1.00 0.00 O ATOM 0 H GLY A 74 -10.903 -17.693 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.089 -18.124 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.665 -19.768 7.678 1.00 0.00 H new ATOM 272 N LEU A 75 -12.578 -17.250 9.832 1.00 0.00 N ATOM 273 CA LEU A 75 -12.918 -16.867 11.198 1.00 0.00 C ATOM 274 C LEU A 75 -13.730 -15.576 11.216 1.00 0.00 C ATOM 275 O LEU A 75 -13.760 -14.862 12.219 1.00 0.00 O ATOM 276 CB LEU A 75 -11.646 -16.694 12.031 1.00 0.00 C ATOM 277 CG LEU A 75 -10.778 -17.942 12.197 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.445 -17.584 12.837 1.00 0.00 C ATOM 279 CD2 LEU A 75 -11.505 -18.991 13.026 1.00 0.00 C ATOM 0 H LEU A 75 -12.097 -16.526 9.298 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.525 -17.662 11.632 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.040 -15.912 11.574 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.930 -16.339 13.022 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.583 -18.360 11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.841 -18.484 12.947 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.918 -16.869 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.619 -17.142 13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.872 -19.872 13.134 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.731 -18.584 14.011 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.433 -19.270 12.527 1.00 0.00 H new ATOM 291 N CYS A 76 -14.390 -15.283 10.101 1.00 0.00 N ATOM 292 CA CYS A 76 -15.205 -14.080 9.988 1.00 0.00 C ATOM 293 C CYS A 76 -16.628 -14.425 9.559 1.00 0.00 C ATOM 294 O CYS A 76 -16.850 -15.380 8.814 1.00 0.00 O ATOM 295 CB CYS A 76 -14.580 -13.108 8.985 1.00 0.00 C ATOM 296 SG CYS A 76 -15.097 -11.375 9.208 1.00 0.00 S ATOM 0 H CYS A 76 -14.376 -15.863 9.262 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.245 -13.605 10.968 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.495 -13.166 9.067 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.840 -13.427 7.976 1.00 0.00 H new ATOM 301 N LYS A 77 -17.590 -13.641 10.034 1.00 0.00 N ATOM 302 CA LYS A 77 -18.992 -13.860 9.700 1.00 0.00 C ATOM 303 C LYS A 77 -19.657 -12.560 9.261 1.00 0.00 C ATOM 304 O LYS A 77 -20.831 -12.324 9.545 1.00 0.00 O ATOM 305 CB LYS A 77 -19.738 -14.447 10.901 1.00 0.00 C ATOM 306 CG LYS A 77 -20.738 -15.527 10.527 1.00 0.00 C ATOM 307 CD LYS A 77 -22.131 -14.953 10.330 1.00 0.00 C ATOM 308 CE LYS A 77 -22.757 -14.543 11.655 1.00 0.00 C ATOM 309 NZ LYS A 77 -23.865 -13.566 11.465 1.00 0.00 N ATOM 0 H LYS A 77 -17.424 -12.847 10.652 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.036 -14.567 8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.013 -14.862 11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.260 -13.644 11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.415 -16.022 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.764 -16.287 11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.079 -14.089 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -22.765 -15.692 9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.136 -15.427 12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.993 -14.106 12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.266 -13.311 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.498 -12.711 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.606 -13.992 10.872 1.00 0.00 H new ATOM 323 N LYS A 78 -18.899 -11.719 8.565 1.00 0.00 N ATOM 324 CA LYS A 78 -19.415 -10.443 8.083 1.00 0.00 C ATOM 325 C LYS A 78 -19.632 -10.479 6.574 1.00 0.00 C ATOM 326 O LYS A 78 -20.609 -9.932 6.064 1.00 0.00 O ATOM 327 CB LYS A 78 -18.451 -9.311 8.444 1.00 0.00 C ATOM 328 CG LYS A 78 -18.166 -9.206 9.932 1.00 0.00 C ATOM 329 CD LYS A 78 -17.311 -7.990 10.251 1.00 0.00 C ATOM 330 CE LYS A 78 -18.113 -6.702 10.149 1.00 0.00 C ATOM 331 NZ LYS A 78 -19.146 -6.605 11.218 1.00 0.00 N ATOM 0 H LYS A 78 -17.925 -11.898 8.322 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.375 -10.262 8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.511 -9.462 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.867 -8.366 8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.106 -9.145 10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.658 -10.109 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.901 -8.086 11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.465 -7.948 9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.439 -5.848 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.595 -6.651 9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -19.469 -5.620 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -19.953 -7.215 10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.738 -6.912 12.124 1.00 0.00 H new ATOM 345 N GLY A 79 -18.714 -11.128 5.863 1.00 0.00 N ATOM 346 CA GLY A 79 -18.825 -11.224 4.420 1.00 0.00 C ATOM 347 C GLY A 79 -18.881 -9.865 3.751 1.00 0.00 C ATOM 348 O GLY A 79 -17.846 -9.274 3.441 1.00 0.00 O ATOM 0 H GLY A 79 -17.896 -11.589 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.974 -11.783 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.722 -11.789 4.164 1.00 0.00 H new ATOM 352 N ASP A 80 -20.092 -9.368 3.526 1.00 0.00 N ATOM 353 CA ASP A 80 -20.280 -8.069 2.889 1.00 0.00 C ATOM 354 C ASP A 80 -20.389 -6.962 3.933 1.00 0.00 C ATOM 355 O ASP A 80 -20.514 -5.786 3.592 1.00 0.00 O ATOM 356 CB ASP A 80 -21.532 -8.085 2.011 1.00 0.00 C ATOM 357 CG ASP A 80 -21.434 -9.088 0.879 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.326 -9.252 0.326 1.00 0.00 O ATOM 359 OD2 ASP A 80 -22.464 -9.710 0.546 1.00 0.00 O ATOM 0 H ASP A 80 -20.959 -9.845 3.775 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.410 -7.869 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -22.400 -8.320 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.695 -7.090 1.597 1.00 0.00 H new ATOM 364 N GLN A 81 -20.341 -7.348 5.204 1.00 0.00 N ATOM 365 CA GLN A 81 -20.436 -6.387 6.297 1.00 0.00 C ATOM 366 C GLN A 81 -19.053 -6.035 6.834 1.00 0.00 C ATOM 367 O GLN A 81 -18.885 -5.045 7.546 1.00 0.00 O ATOM 368 CB GLN A 81 -21.306 -6.949 7.423 1.00 0.00 C ATOM 369 CG GLN A 81 -22.569 -7.637 6.930 1.00 0.00 C ATOM 370 CD GLN A 81 -23.758 -6.698 6.867 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.688 -5.557 7.324 1.00 0.00 O ATOM 372 NE2 GLN A 81 -24.860 -7.175 6.299 1.00 0.00 N ATOM 0 H GLN A 81 -20.237 -8.318 5.502 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.897 -5.478 5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.719 -7.659 8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.583 -6.138 8.096 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -22.388 -8.055 5.940 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.805 -8.472 7.590 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -24.874 -8.127 5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -25.692 -6.589 6.229 1.00 0.00 H new ATOM 381 N CYS A 82 -18.064 -6.854 6.490 1.00 0.00 N ATOM 382 CA CYS A 82 -16.695 -6.630 6.938 1.00 0.00 C ATOM 383 C CYS A 82 -16.169 -5.290 6.433 1.00 0.00 C ATOM 384 O CYS A 82 -16.759 -4.676 5.543 1.00 0.00 O ATOM 385 CB CYS A 82 -15.787 -7.762 6.454 1.00 0.00 C ATOM 386 SG CYS A 82 -14.231 -7.919 7.389 1.00 0.00 S ATOM 0 H CYS A 82 -18.186 -7.679 5.902 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.694 -6.613 8.028 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.333 -8.703 6.517 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.552 -7.600 5.402 1.00 0.00 H new ATOM 391 N GLU A 83 -15.057 -4.842 7.007 1.00 0.00 N ATOM 392 CA GLU A 83 -14.452 -3.575 6.614 1.00 0.00 C ATOM 393 C GLU A 83 -13.228 -3.805 5.733 1.00 0.00 C ATOM 394 O GLU A 83 -12.631 -2.858 5.221 1.00 0.00 O ATOM 395 CB GLU A 83 -14.057 -2.768 7.853 1.00 0.00 C ATOM 396 CG GLU A 83 -13.465 -3.614 8.967 1.00 0.00 C ATOM 397 CD GLU A 83 -12.495 -2.838 9.837 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.752 -1.996 9.289 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.477 -3.072 11.063 1.00 0.00 O ATOM 0 H GLU A 83 -14.557 -5.337 7.745 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.189 -3.013 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.334 -2.005 7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.936 -2.247 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.271 -4.006 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.951 -4.472 8.533 1.00 0.00 H new ATOM 406 N PHE A 84 -12.861 -5.070 5.560 1.00 0.00 N ATOM 407 CA PHE A 84 -11.707 -5.426 4.742 1.00 0.00 C ATOM 408 C PHE A 84 -12.128 -6.288 3.555 1.00 0.00 C ATOM 409 O PHE A 84 -13.226 -6.846 3.536 1.00 0.00 O ATOM 410 CB PHE A 84 -10.668 -6.171 5.583 1.00 0.00 C ATOM 411 CG PHE A 84 -10.109 -5.349 6.709 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.736 -5.324 7.945 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.956 -4.601 6.532 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.224 -4.569 8.983 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.439 -3.844 7.567 1.00 0.00 C ATOM 416 CZ PHE A 84 -9.074 -3.828 8.793 1.00 0.00 C ATOM 0 H PHE A 84 -13.346 -5.866 5.975 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.264 -4.505 4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.123 -7.073 5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.851 -6.491 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.636 -5.902 8.099 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.456 -4.609 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.722 -4.558 9.941 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.539 -3.266 7.417 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.672 -3.237 9.602 1.00 0.00 H new ATOM 426 N LEU A 85 -11.248 -6.390 2.565 1.00 0.00 N ATOM 427 CA LEU A 85 -11.526 -7.183 1.372 1.00 0.00 C ATOM 428 C LEU A 85 -11.523 -8.673 1.696 1.00 0.00 C ATOM 429 O LEU A 85 -10.665 -9.157 2.435 1.00 0.00 O ATOM 430 CB LEU A 85 -10.494 -6.884 0.284 1.00 0.00 C ATOM 431 CG LEU A 85 -10.691 -5.579 -0.488 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.386 -5.136 -1.131 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.778 -5.742 -1.542 1.00 0.00 C ATOM 0 H LEU A 85 -10.336 -5.934 2.565 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.517 -6.911 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.506 -6.865 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.498 -7.709 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.006 -4.808 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.546 -4.206 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.634 -4.979 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.041 -5.906 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.905 -4.804 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.492 -6.527 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.717 -6.012 -1.058 1.00 0.00 H new ATOM 445 N HIS A 86 -12.488 -9.397 1.137 1.00 0.00 N ATOM 446 CA HIS A 86 -12.595 -10.834 1.364 1.00 0.00 C ATOM 447 C HIS A 86 -12.168 -11.613 0.124 1.00 0.00 C ATOM 448 O HIS A 86 -12.472 -12.798 -0.011 1.00 0.00 O ATOM 449 CB HIS A 86 -14.028 -11.206 1.745 1.00 0.00 C ATOM 450 CG HIS A 86 -14.310 -11.081 3.211 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.351 -11.735 3.835 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.678 -10.373 4.176 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.349 -11.433 5.122 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.343 -10.609 5.354 1.00 0.00 N ATOM 0 H HIS A 86 -13.207 -9.012 0.524 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.928 -11.098 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.719 -10.567 1.195 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.224 -12.232 1.432 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.018 -12.355 3.376 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.812 -9.741 4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.050 -11.798 5.858 1.00 0.00 H new ATOM 462 N GLU A 87 -11.461 -10.939 -0.778 1.00 0.00 N ATOM 463 CA GLU A 87 -10.993 -11.569 -2.007 1.00 0.00 C ATOM 464 C GLU A 87 -9.469 -11.566 -2.075 1.00 0.00 C ATOM 465 O GLU A 87 -8.833 -10.521 -1.931 1.00 0.00 O ATOM 466 CB GLU A 87 -11.570 -10.849 -3.228 1.00 0.00 C ATOM 467 CG GLU A 87 -11.196 -9.378 -3.299 1.00 0.00 C ATOM 468 CD GLU A 87 -11.764 -8.690 -4.525 1.00 0.00 C ATOM 469 OE1 GLU A 87 -11.327 -9.022 -5.647 1.00 0.00 O ATOM 470 OE2 GLU A 87 -12.646 -7.821 -4.363 1.00 0.00 O ATOM 0 H GLU A 87 -11.200 -9.958 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.337 -12.603 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.221 -11.348 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.656 -10.939 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.556 -8.872 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.110 -9.283 -3.304 1.00 0.00 H new ATOM 477 N TYR A 88 -8.890 -12.741 -2.294 1.00 0.00 N ATOM 478 CA TYR A 88 -7.440 -12.875 -2.378 1.00 0.00 C ATOM 479 C TYR A 88 -6.883 -12.054 -3.537 1.00 0.00 C ATOM 480 O TYR A 88 -7.012 -12.436 -4.701 1.00 0.00 O ATOM 481 CB TYR A 88 -7.051 -14.345 -2.545 1.00 0.00 C ATOM 482 CG TYR A 88 -5.751 -14.709 -1.865 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.530 -14.473 -2.485 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.743 -15.289 -0.603 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.340 -14.804 -1.868 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.557 -15.622 0.023 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.358 -15.378 -0.614 1.00 0.00 C ATOM 488 OH TYR A 88 -2.175 -15.710 0.005 1.00 0.00 O ATOM 0 H TYR A 88 -9.402 -13.615 -2.417 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.011 -12.496 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.848 -14.971 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.971 -14.572 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.512 -14.023 -3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.680 -15.483 -0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.400 -14.614 -2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.569 -16.071 1.005 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.364 -16.103 0.882 1.00 0.00 H new ATOM 498 N ASP A 89 -6.263 -10.926 -3.210 1.00 0.00 N ATOM 499 CA ASP A 89 -5.684 -10.051 -4.223 1.00 0.00 C ATOM 500 C ASP A 89 -4.185 -9.875 -3.997 1.00 0.00 C ATOM 501 O ASP A 89 -3.720 -9.838 -2.858 1.00 0.00 O ATOM 502 CB ASP A 89 -6.378 -8.688 -4.208 1.00 0.00 C ATOM 503 CG ASP A 89 -7.565 -8.632 -5.149 1.00 0.00 C ATOM 504 OD1 ASP A 89 -8.281 -9.650 -5.263 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.779 -7.571 -5.771 1.00 0.00 O ATOM 0 H ASP A 89 -6.148 -10.596 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.834 -10.516 -5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.711 -8.464 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.661 -7.915 -4.486 1.00 0.00 H new ATOM 510 N MET A 90 -3.436 -9.769 -5.089 1.00 0.00 N ATOM 511 CA MET A 90 -1.990 -9.597 -5.009 1.00 0.00 C ATOM 512 C MET A 90 -1.627 -8.127 -4.822 1.00 0.00 C ATOM 513 O MET A 90 -0.520 -7.800 -4.393 1.00 0.00 O ATOM 514 CB MET A 90 -1.319 -10.143 -6.271 1.00 0.00 C ATOM 515 CG MET A 90 -1.022 -11.633 -6.205 1.00 0.00 C ATOM 516 SD MET A 90 0.637 -11.983 -5.590 1.00 0.00 S ATOM 517 CE MET A 90 0.404 -11.737 -3.831 1.00 0.00 C ATOM 0 H MET A 90 -3.806 -9.799 -6.039 1.00 0.00 H new ATOM 0 HA MET A 90 -1.630 -10.155 -4.145 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.962 -9.947 -7.129 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.388 -9.602 -6.441 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.755 -12.117 -5.559 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.136 -12.067 -7.198 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.220 -12.212 -3.286 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.394 -10.669 -3.611 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.544 -12.179 -3.524 1.00 0.00 H new ATOM 527 N THR A 91 -2.566 -7.244 -5.148 1.00 0.00 N ATOM 528 CA THR A 91 -2.344 -5.809 -5.017 1.00 0.00 C ATOM 529 C THR A 91 -3.084 -5.246 -3.809 1.00 0.00 C ATOM 530 O THR A 91 -2.563 -4.392 -3.091 1.00 0.00 O ATOM 531 CB THR A 91 -2.797 -5.053 -6.280 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.212 -5.189 -6.451 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.079 -5.581 -7.513 1.00 0.00 C ATOM 0 H THR A 91 -3.487 -7.497 -5.505 1.00 0.00 H new ATOM 0 HA THR A 91 -1.272 -5.666 -4.882 1.00 0.00 H new ATOM 0 HB THR A 91 -2.546 -4.000 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.492 -4.704 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.415 -5.032 -8.393 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.004 -5.450 -7.392 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.303 -6.640 -7.639 1.00 0.00 H new ATOM 541 N LYS A 92 -4.301 -5.730 -3.589 1.00 0.00 N ATOM 542 CA LYS A 92 -5.113 -5.277 -2.466 1.00 0.00 C ATOM 543 C LYS A 92 -4.702 -5.982 -1.177 1.00 0.00 C ATOM 544 O LYS A 92 -5.455 -6.007 -0.204 1.00 0.00 O ATOM 545 CB LYS A 92 -6.596 -5.531 -2.747 1.00 0.00 C ATOM 546 CG LYS A 92 -7.038 -5.082 -4.129 1.00 0.00 C ATOM 547 CD LYS A 92 -7.611 -3.674 -4.101 1.00 0.00 C ATOM 548 CE LYS A 92 -6.540 -2.644 -3.777 1.00 0.00 C ATOM 549 NZ LYS A 92 -7.022 -1.253 -4.003 1.00 0.00 N ATOM 0 H LYS A 92 -4.747 -6.436 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.950 -4.206 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.801 -6.596 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.193 -5.012 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.190 -5.117 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.787 -5.773 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.059 -3.443 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.407 -3.619 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.230 -2.757 -2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.660 -2.828 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.263 -0.581 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.294 -1.138 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.846 -1.068 -3.396 1.00 0.00 H new ATOM 563 N MET A 93 -3.502 -6.553 -1.177 1.00 0.00 N ATOM 564 CA MET A 93 -2.990 -7.256 -0.007 1.00 0.00 C ATOM 565 C MET A 93 -1.681 -6.635 0.471 1.00 0.00 C ATOM 566 O MET A 93 -0.906 -6.083 -0.311 1.00 0.00 O ATOM 567 CB MET A 93 -2.779 -8.737 -0.326 1.00 0.00 C ATOM 568 CG MET A 93 -1.567 -9.002 -1.205 1.00 0.00 C ATOM 569 SD MET A 93 -1.388 -10.744 -1.634 1.00 0.00 S ATOM 570 CE MET A 93 -1.383 -11.495 -0.008 1.00 0.00 C ATOM 0 H MET A 93 -2.866 -6.543 -1.974 1.00 0.00 H new ATOM 0 HA MET A 93 -3.727 -7.166 0.791 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.669 -9.289 0.607 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.669 -9.124 -0.822 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.650 -8.413 -2.119 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.668 -8.665 -0.689 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.951 -12.494 -0.070 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.789 -10.885 0.673 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.405 -11.564 0.364 1.00 0.00 H new ATOM 580 N PRO A 94 -1.427 -6.725 1.785 1.00 0.00 N ATOM 581 CA PRO A 94 -0.212 -6.178 2.395 1.00 0.00 C ATOM 582 C PRO A 94 1.038 -6.959 2.001 1.00 0.00 C ATOM 583 O PRO A 94 1.020 -8.187 1.943 1.00 0.00 O ATOM 584 CB PRO A 94 -0.476 -6.316 3.897 1.00 0.00 C ATOM 585 CG PRO A 94 -1.448 -7.439 4.009 1.00 0.00 C ATOM 586 CD PRO A 94 -2.306 -7.369 2.775 1.00 0.00 C ATOM 0 HA PRO A 94 -0.021 -5.154 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.443 -6.532 4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.885 -5.395 4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.932 -8.397 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.053 -7.343 4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.621 -8.360 2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.211 -6.787 2.947 1.00 0.00 H new ATOM 594 N GLU A 95 2.120 -6.236 1.730 1.00 0.00 N ATOM 595 CA GLU A 95 3.378 -6.863 1.340 1.00 0.00 C ATOM 596 C GLU A 95 3.846 -7.851 2.405 1.00 0.00 C ATOM 597 O GLU A 95 3.313 -7.885 3.514 1.00 0.00 O ATOM 598 CB GLU A 95 4.453 -5.799 1.109 1.00 0.00 C ATOM 599 CG GLU A 95 4.098 -4.803 0.017 1.00 0.00 C ATOM 600 CD GLU A 95 3.358 -3.592 0.551 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.845 -2.979 1.524 1.00 0.00 O ATOM 602 OE2 GLU A 95 2.290 -3.258 -0.005 1.00 0.00 O ATOM 0 H GLU A 95 2.151 -5.217 1.773 1.00 0.00 H new ATOM 0 HA GLU A 95 3.211 -7.408 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.624 -5.259 2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.390 -6.291 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.010 -4.476 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.483 -5.298 -0.735 1.00 0.00 H new ATOM 609 N CYS A 96 4.846 -8.655 2.058 1.00 0.00 N ATOM 610 CA CYS A 96 5.387 -9.645 2.981 1.00 0.00 C ATOM 611 C CYS A 96 5.838 -8.987 4.282 1.00 0.00 C ATOM 612 O CYS A 96 6.780 -8.194 4.295 1.00 0.00 O ATOM 613 CB CYS A 96 6.561 -10.385 2.338 1.00 0.00 C ATOM 614 SG CYS A 96 7.115 -11.851 3.267 1.00 0.00 S ATOM 0 H CYS A 96 5.298 -8.640 1.144 1.00 0.00 H new ATOM 0 HA CYS A 96 4.597 -10.360 3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.276 -10.692 1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.399 -9.695 2.235 1.00 0.00 H new ATOM 619 N TYR A 97 5.160 -9.321 5.374 1.00 0.00 N ATOM 620 CA TYR A 97 5.489 -8.762 6.680 1.00 0.00 C ATOM 621 C TYR A 97 6.984 -8.875 6.960 1.00 0.00 C ATOM 622 O TYR A 97 7.576 -8.003 7.596 1.00 0.00 O ATOM 623 CB TYR A 97 4.697 -9.475 7.777 1.00 0.00 C ATOM 624 CG TYR A 97 5.410 -9.512 9.111 1.00 0.00 C ATOM 625 CD1 TYR A 97 5.912 -8.350 9.684 1.00 0.00 C ATOM 626 CD2 TYR A 97 5.581 -10.708 9.796 1.00 0.00 C ATOM 627 CE1 TYR A 97 6.565 -8.379 10.902 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.230 -10.746 11.015 1.00 0.00 C ATOM 629 CZ TYR A 97 6.721 -9.579 11.563 1.00 0.00 C ATOM 630 OH TYR A 97 7.369 -9.613 12.776 1.00 0.00 O ATOM 0 H TYR A 97 4.379 -9.977 5.381 1.00 0.00 H new ATOM 0 HA TYR A 97 5.218 -7.706 6.674 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.736 -8.977 7.902 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.488 -10.496 7.458 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.790 -7.408 9.169 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.200 -11.624 9.369 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.951 -7.467 11.333 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.352 -11.684 11.536 1.00 0.00 H new ATOM 0 HH TYR A 97 8.336 -9.674 12.629 1.00 0.00 H new ATOM 640 N PHE A 98 7.589 -9.956 6.479 1.00 0.00 N ATOM 641 CA PHE A 98 9.016 -10.186 6.677 1.00 0.00 C ATOM 642 C PHE A 98 9.844 -9.242 5.811 1.00 0.00 C ATOM 643 O PHE A 98 10.548 -8.370 6.321 1.00 0.00 O ATOM 644 CB PHE A 98 9.370 -11.638 6.351 1.00 0.00 C ATOM 645 CG PHE A 98 8.702 -12.636 7.254 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.130 -12.803 8.561 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.645 -13.406 6.795 1.00 0.00 C ATOM 648 CE1 PHE A 98 8.517 -13.720 9.394 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.028 -14.323 7.624 1.00 0.00 C ATOM 650 CZ PHE A 98 7.465 -14.482 8.924 1.00 0.00 C ATOM 0 H PHE A 98 7.114 -10.687 5.949 1.00 0.00 H new ATOM 0 HA PHE A 98 9.249 -9.989 7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.089 -11.849 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.450 -11.764 6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.952 -12.210 8.933 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.300 -13.288 5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.860 -13.841 10.411 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.204 -14.915 7.255 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.985 -15.201 9.572 1.00 0.00 H new ATOM 660 N TYR A 99 9.755 -9.422 4.498 1.00 0.00 N ATOM 661 CA TYR A 99 10.497 -8.589 3.560 1.00 0.00 C ATOM 662 C TYR A 99 10.143 -7.116 3.740 1.00 0.00 C ATOM 663 O TYR A 99 10.875 -6.231 3.297 1.00 0.00 O ATOM 664 CB TYR A 99 10.208 -9.022 2.121 1.00 0.00 C ATOM 665 CG TYR A 99 11.363 -8.785 1.174 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.355 -9.743 1.004 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.462 -7.603 0.450 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.412 -9.531 0.140 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.515 -7.383 -0.417 1.00 0.00 C ATOM 670 CZ TYR A 99 13.487 -8.350 -0.568 1.00 0.00 C ATOM 671 OH TYR A 99 14.538 -8.134 -1.430 1.00 0.00 O ATOM 0 H TYR A 99 9.176 -10.138 4.059 1.00 0.00 H new ATOM 0 HA TYR A 99 11.560 -8.716 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.954 -10.082 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.334 -8.483 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.299 -10.669 1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.703 -6.844 0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.175 -10.286 0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.577 -6.459 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 99 14.441 -7.254 -1.851 1.00 0.00 H new ATOM 681 N SER A 100 9.015 -6.862 4.396 1.00 0.00 N ATOM 682 CA SER A 100 8.560 -5.497 4.634 1.00 0.00 C ATOM 683 C SER A 100 9.080 -4.976 5.970 1.00 0.00 C ATOM 684 O SER A 100 9.182 -3.768 6.183 1.00 0.00 O ATOM 685 CB SER A 100 7.032 -5.434 4.608 1.00 0.00 C ATOM 686 OG SER A 100 6.570 -4.131 4.917 1.00 0.00 O ATOM 0 H SER A 100 8.400 -7.583 4.772 1.00 0.00 H new ATOM 0 HA SER A 100 8.956 -4.865 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.670 -5.728 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.623 -6.147 5.324 1.00 0.00 H new ATOM 0 HG SER A 100 5.590 -4.117 4.892 1.00 0.00 H new ATOM 692 N LYS A 101 9.407 -5.898 6.870 1.00 0.00 N ATOM 693 CA LYS A 101 9.917 -5.535 8.187 1.00 0.00 C ATOM 694 C LYS A 101 11.420 -5.778 8.274 1.00 0.00 C ATOM 695 O LYS A 101 12.203 -4.840 8.422 1.00 0.00 O ATOM 696 CB LYS A 101 9.196 -6.335 9.274 1.00 0.00 C ATOM 697 CG LYS A 101 9.286 -5.706 10.654 1.00 0.00 C ATOM 698 CD LYS A 101 10.687 -5.822 11.229 1.00 0.00 C ATOM 699 CE LYS A 101 10.662 -5.884 12.749 1.00 0.00 C ATOM 700 NZ LYS A 101 10.542 -4.530 13.357 1.00 0.00 N ATOM 0 H LYS A 101 9.328 -6.902 6.711 1.00 0.00 H new ATOM 0 HA LYS A 101 9.729 -4.473 8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.146 -6.440 9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.617 -7.339 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.002 -4.655 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.576 -6.192 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.170 -6.716 10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.285 -4.969 10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.826 -6.503 13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.572 -6.364 13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.528 -4.615 14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.353 -3.947 13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.661 -4.082 13.035 1.00 0.00 H new ATOM 714 N PHE A 102 11.817 -7.043 8.180 1.00 0.00 N ATOM 715 CA PHE A 102 13.226 -7.409 8.248 1.00 0.00 C ATOM 716 C PHE A 102 13.900 -7.233 6.890 1.00 0.00 C ATOM 717 O PHE A 102 15.101 -6.980 6.809 1.00 0.00 O ATOM 718 CB PHE A 102 13.377 -8.856 8.720 1.00 0.00 C ATOM 719 CG PHE A 102 12.554 -9.179 9.934 1.00 0.00 C ATOM 720 CD1 PHE A 102 13.016 -8.870 11.203 1.00 0.00 C ATOM 721 CD2 PHE A 102 11.318 -9.793 9.806 1.00 0.00 C ATOM 722 CE1 PHE A 102 12.261 -9.166 12.323 1.00 0.00 C ATOM 723 CE2 PHE A 102 10.559 -10.090 10.922 1.00 0.00 C ATOM 724 CZ PHE A 102 11.031 -9.778 12.182 1.00 0.00 C ATOM 0 H PHE A 102 11.182 -7.832 8.056 1.00 0.00 H new ATOM 0 HA PHE A 102 13.713 -6.747 8.965 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.092 -9.526 7.909 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.427 -9.050 8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.978 -8.392 11.319 1.00 0.00 H new ATOM 0 HD2 PHE A 102 10.944 -10.042 8.824 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.633 -8.919 13.307 1.00 0.00 H new ATOM 0 HE2 PHE A 102 9.596 -10.566 10.809 1.00 0.00 H new ATOM 0 HZ PHE A 102 10.440 -10.012 13.055 1.00 0.00 H new ATOM 734 N GLY A 103 13.116 -7.369 5.825 1.00 0.00 N ATOM 735 CA GLY A 103 13.653 -7.222 4.484 1.00 0.00 C ATOM 736 C GLY A 103 14.476 -8.421 4.055 1.00 0.00 C ATOM 737 O GLY A 103 15.432 -8.284 3.293 1.00 0.00 O ATOM 0 H GLY A 103 12.119 -7.578 5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.833 -7.078 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.272 -6.326 4.440 1.00 0.00 H new ATOM 741 N GLU A 104 14.105 -9.599 4.548 1.00 0.00 N ATOM 742 CA GLU A 104 14.818 -10.825 4.212 1.00 0.00 C ATOM 743 C GLU A 104 13.871 -12.022 4.207 1.00 0.00 C ATOM 744 O GLU A 104 13.341 -12.413 5.248 1.00 0.00 O ATOM 745 CB GLU A 104 15.957 -11.067 5.204 1.00 0.00 C ATOM 746 CG GLU A 104 16.717 -9.805 5.578 1.00 0.00 C ATOM 747 CD GLU A 104 18.027 -10.100 6.282 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.945 -10.637 5.627 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.135 -9.792 7.487 1.00 0.00 O ATOM 0 H GLU A 104 13.316 -9.729 5.181 1.00 0.00 H new ATOM 0 HA GLU A 104 15.235 -10.709 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.550 -11.517 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.654 -11.787 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.916 -9.225 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.093 -9.187 6.224 1.00 0.00 H new ATOM 756 N CYS A 105 13.661 -12.599 3.029 1.00 0.00 N ATOM 757 CA CYS A 105 12.778 -13.749 2.886 1.00 0.00 C ATOM 758 C CYS A 105 13.368 -14.772 1.920 1.00 0.00 C ATOM 759 O CYS A 105 13.694 -14.447 0.778 1.00 0.00 O ATOM 760 CB CYS A 105 11.400 -13.303 2.394 1.00 0.00 C ATOM 761 SG CYS A 105 10.056 -14.468 2.787 1.00 0.00 S ATOM 0 H CYS A 105 14.091 -12.288 2.158 1.00 0.00 H new ATOM 0 HA CYS A 105 12.673 -14.218 3.864 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.166 -12.333 2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.440 -13.162 1.314 1.00 0.00 H new ATOM 766 N SER A 106 13.503 -16.010 2.386 1.00 0.00 N ATOM 767 CA SER A 106 14.057 -17.080 1.565 1.00 0.00 C ATOM 768 C SER A 106 12.949 -17.979 1.025 1.00 0.00 C ATOM 769 O SER A 106 13.058 -19.204 1.057 1.00 0.00 O ATOM 770 CB SER A 106 15.053 -17.910 2.377 1.00 0.00 C ATOM 771 OG SER A 106 14.417 -18.538 3.476 1.00 0.00 O ATOM 0 H SER A 106 13.236 -16.296 3.328 1.00 0.00 H new ATOM 0 HA SER A 106 14.576 -16.626 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.509 -18.665 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.858 -17.269 2.736 1.00 0.00 H new ATOM 0 HG SER A 106 15.075 -19.064 3.978 1.00 0.00 H new ATOM 777 N ASN A 107 11.883 -17.360 0.528 1.00 0.00 N ATOM 778 CA ASN A 107 10.754 -18.104 -0.020 1.00 0.00 C ATOM 779 C ASN A 107 10.694 -17.962 -1.538 1.00 0.00 C ATOM 780 O ASN A 107 10.652 -16.851 -2.068 1.00 0.00 O ATOM 781 CB ASN A 107 9.445 -17.614 0.602 1.00 0.00 C ATOM 782 CG ASN A 107 9.176 -18.243 1.955 1.00 0.00 C ATOM 783 OD1 ASN A 107 8.906 -19.543 1.960 1.00 0.00 O flip ATOM 784 ND2 ASN A 107 9.212 -17.568 2.984 1.00 0.00 N flip ATOM 0 H ASN A 107 11.777 -16.346 0.493 1.00 0.00 H new ATOM 0 HA ASN A 107 10.892 -19.158 0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.480 -16.530 0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.619 -17.841 -0.072 1.00 0.00 H new ATOM 0 HD21 ASN A 107 9.424 -16.572 2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 107 9.030 -18.005 3.887 1.00 0.00 H new ATOM 791 N LYS A 108 10.691 -19.094 -2.233 1.00 0.00 N ATOM 792 CA LYS A 108 10.634 -19.098 -3.690 1.00 0.00 C ATOM 793 C LYS A 108 9.196 -18.953 -4.179 1.00 0.00 C ATOM 794 O LYS A 108 8.951 -18.435 -5.268 1.00 0.00 O ATOM 795 CB LYS A 108 11.243 -20.389 -4.241 1.00 0.00 C ATOM 796 CG LYS A 108 10.464 -21.638 -3.866 1.00 0.00 C ATOM 797 CD LYS A 108 10.639 -22.736 -4.901 1.00 0.00 C ATOM 798 CE LYS A 108 11.836 -23.618 -4.582 1.00 0.00 C ATOM 799 NZ LYS A 108 11.635 -24.392 -3.325 1.00 0.00 N ATOM 0 H LYS A 108 10.727 -20.022 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 108 11.210 -18.247 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.300 -20.319 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.265 -20.484 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.798 -21.998 -2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.406 -21.393 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.737 -23.346 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.767 -22.290 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.010 -24.307 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.729 -22.999 -4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.207 -25.260 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.927 -23.814 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.630 -24.643 -3.229 1.00 0.00 H new ATOM 813 N GLU A 109 8.250 -19.412 -3.365 1.00 0.00 N ATOM 814 CA GLU A 109 6.837 -19.332 -3.716 1.00 0.00 C ATOM 815 C GLU A 109 6.056 -18.561 -2.656 1.00 0.00 C ATOM 816 O GLU A 109 4.974 -18.978 -2.239 1.00 0.00 O ATOM 817 CB GLU A 109 6.249 -20.735 -3.880 1.00 0.00 C ATOM 818 CG GLU A 109 6.799 -21.490 -5.078 1.00 0.00 C ATOM 819 CD GLU A 109 6.065 -21.159 -6.363 1.00 0.00 C ATOM 820 OE1 GLU A 109 6.069 -19.975 -6.760 1.00 0.00 O ATOM 821 OE2 GLU A 109 5.486 -22.083 -6.971 1.00 0.00 O ATOM 0 H GLU A 109 8.436 -19.842 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 109 6.754 -18.799 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.448 -21.311 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.166 -20.657 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.857 -21.254 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.730 -22.562 -4.890 1.00 0.00 H new ATOM 828 N CYS A 110 6.611 -17.435 -2.222 1.00 0.00 N ATOM 829 CA CYS A 110 5.969 -16.605 -1.209 1.00 0.00 C ATOM 830 C CYS A 110 4.719 -15.933 -1.770 1.00 0.00 C ATOM 831 O CYS A 110 4.775 -15.159 -2.726 1.00 0.00 O ATOM 832 CB CYS A 110 6.945 -15.545 -0.696 1.00 0.00 C ATOM 833 SG CYS A 110 6.531 -14.891 0.954 1.00 0.00 S ATOM 0 H CYS A 110 7.505 -17.075 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 110 5.673 -17.248 -0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.947 -15.973 -0.665 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.974 -14.719 -1.406 1.00 0.00 H new ATOM 838 N PRO A 111 3.562 -16.235 -1.161 1.00 0.00 N ATOM 839 CA PRO A 111 2.276 -15.670 -1.581 1.00 0.00 C ATOM 840 C PRO A 111 2.166 -14.182 -1.268 1.00 0.00 C ATOM 841 O PRO A 111 1.123 -13.566 -1.488 1.00 0.00 O ATOM 842 CB PRO A 111 1.256 -16.466 -0.764 1.00 0.00 C ATOM 843 CG PRO A 111 2.006 -16.920 0.440 1.00 0.00 C ATOM 844 CD PRO A 111 3.421 -17.150 -0.016 1.00 0.00 C ATOM 0 HA PRO A 111 2.131 -15.744 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.401 -15.848 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.868 -17.312 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.968 -16.170 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.574 -17.834 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.139 -16.922 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.586 -18.187 -0.308 1.00 0.00 H new ATOM 852 N PHE A 112 3.249 -13.609 -0.754 1.00 0.00 N ATOM 853 CA PHE A 112 3.274 -12.192 -0.409 1.00 0.00 C ATOM 854 C PHE A 112 4.099 -11.401 -1.420 1.00 0.00 C ATOM 855 O PHE A 112 4.652 -11.966 -2.365 1.00 0.00 O ATOM 856 CB PHE A 112 3.845 -11.997 0.997 1.00 0.00 C ATOM 857 CG PHE A 112 2.820 -12.137 2.085 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.895 -11.132 2.318 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.781 -13.274 2.876 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.950 -11.258 3.318 1.00 0.00 C ATOM 861 CE2 PHE A 112 1.838 -13.406 3.877 1.00 0.00 C ATOM 862 CZ PHE A 112 0.922 -12.396 4.100 1.00 0.00 C ATOM 0 H PHE A 112 4.121 -14.104 -0.567 1.00 0.00 H new ATOM 0 HA PHE A 112 2.250 -11.820 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.640 -12.725 1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.299 -11.008 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.913 -10.239 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.496 -14.066 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.234 -10.467 3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.817 -14.298 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.186 -12.496 4.884 1.00 0.00 H new ATOM 872 N LEU A 113 4.178 -10.091 -1.215 1.00 0.00 N ATOM 873 CA LEU A 113 4.935 -9.221 -2.108 1.00 0.00 C ATOM 874 C LEU A 113 6.337 -8.969 -1.563 1.00 0.00 C ATOM 875 O LEU A 113 6.518 -8.743 -0.366 1.00 0.00 O ATOM 876 CB LEU A 113 4.203 -7.891 -2.298 1.00 0.00 C ATOM 877 CG LEU A 113 2.777 -7.982 -2.841 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.776 -8.086 -1.701 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.463 -6.779 -3.719 1.00 0.00 C ATOM 0 H LEU A 113 3.727 -9.608 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 113 5.024 -9.721 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.173 -7.375 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.789 -7.270 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 113 2.698 -8.883 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.767 -8.150 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.987 -8.978 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.856 -7.204 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.444 -6.860 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.561 -5.865 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.159 -6.749 -4.557 1.00 0.00 H new ATOM 891 N HIS A 114 7.327 -9.007 -2.449 1.00 0.00 N ATOM 892 CA HIS A 114 8.714 -8.780 -2.058 1.00 0.00 C ATOM 893 C HIS A 114 9.242 -7.480 -2.657 1.00 0.00 C ATOM 894 O HIS A 114 9.689 -7.451 -3.803 1.00 0.00 O ATOM 895 CB HIS A 114 9.589 -9.953 -2.501 1.00 0.00 C ATOM 896 CG HIS A 114 9.671 -11.055 -1.491 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.293 -12.260 -1.741 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.206 -11.129 -0.222 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.206 -13.028 -0.670 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.551 -12.365 0.267 1.00 0.00 N ATOM 0 H HIS A 114 7.195 -9.193 -3.443 1.00 0.00 H new ATOM 0 HA HIS A 114 8.751 -8.699 -0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 114 9.196 -10.356 -3.435 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.594 -9.587 -2.709 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.749 -12.518 -2.616 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.664 -10.359 0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.603 -14.028 -0.576 1.00 0.00 H new ATOM 908 N ILE A 115 9.185 -6.408 -1.874 1.00 0.00 N ATOM 909 CA ILE A 115 9.658 -5.106 -2.327 1.00 0.00 C ATOM 910 C ILE A 115 10.987 -4.745 -1.672 1.00 0.00 C ATOM 911 O ILE A 115 11.145 -4.867 -0.457 1.00 0.00 O ATOM 912 CB ILE A 115 8.632 -3.998 -2.026 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.300 -4.306 -2.713 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.165 -2.646 -2.474 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.194 -3.340 -2.349 1.00 0.00 C ATOM 0 H ILE A 115 8.816 -6.416 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 115 9.796 -5.179 -3.406 1.00 0.00 H new ATOM 0 HB ILE A 115 8.464 -3.961 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.445 -4.289 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.990 -5.317 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.428 -1.873 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 115 10.091 -2.426 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.358 -2.668 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.280 -3.620 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.021 -3.374 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.483 -2.330 -2.638 1.00 0.00 H new ATOM 927 N ASP A 116 11.938 -4.297 -2.483 1.00 0.00 N ATOM 928 CA ASP A 116 13.253 -3.915 -1.982 1.00 0.00 C ATOM 929 C ASP A 116 13.169 -2.633 -1.160 1.00 0.00 C ATOM 930 O ASP A 116 12.440 -1.699 -1.494 1.00 0.00 O ATOM 931 CB ASP A 116 14.230 -3.727 -3.144 1.00 0.00 C ATOM 932 CG ASP A 116 15.669 -3.979 -2.737 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.972 -5.107 -2.294 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.492 -3.048 -2.862 1.00 0.00 O ATOM 0 H ASP A 116 11.823 -4.189 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 116 13.616 -4.716 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.961 -4.404 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 116 14.138 -2.713 -3.532 1.00 0.00 H new ATOM 939 N PRO A 117 13.932 -2.585 -0.058 1.00 0.00 N ATOM 940 CA PRO A 117 13.961 -1.423 0.836 1.00 0.00 C ATOM 941 C PRO A 117 14.639 -0.217 0.196 1.00 0.00 C ATOM 942 O PRO A 117 14.784 0.831 0.825 1.00 0.00 O ATOM 943 CB PRO A 117 14.772 -1.919 2.035 1.00 0.00 C ATOM 944 CG PRO A 117 15.631 -3.007 1.489 1.00 0.00 C ATOM 945 CD PRO A 117 14.826 -3.662 0.401 1.00 0.00 C ATOM 0 HA PRO A 117 12.959 -1.081 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.374 -1.118 2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.121 -2.289 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.566 -2.607 1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.893 -3.725 2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.462 -4.027 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.265 -4.518 0.776 1.00 0.00 H new ATOM 953 N GLU A 118 15.052 -0.372 -1.059 1.00 0.00 N ATOM 954 CA GLU A 118 15.715 0.706 -1.783 1.00 0.00 C ATOM 955 C GLU A 118 14.772 1.338 -2.802 1.00 0.00 C ATOM 956 O GLU A 118 15.006 2.450 -3.276 1.00 0.00 O ATOM 957 CB GLU A 118 16.968 0.182 -2.487 1.00 0.00 C ATOM 958 CG GLU A 118 18.032 -0.333 -1.533 1.00 0.00 C ATOM 959 CD GLU A 118 19.437 -0.167 -2.080 1.00 0.00 C ATOM 960 OE1 GLU A 118 19.702 0.867 -2.727 1.00 0.00 O ATOM 961 OE2 GLU A 118 20.270 -1.071 -1.862 1.00 0.00 O ATOM 0 H GLU A 118 14.939 -1.233 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 118 16.005 1.469 -1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 118 16.683 -0.620 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 118 17.393 0.980 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 118 17.951 0.197 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 118 17.849 -1.387 -1.326 1.00 0.00 H new ATOM 968 N SER A 119 13.704 0.620 -3.136 1.00 0.00 N ATOM 969 CA SER A 119 12.727 1.107 -4.102 1.00 0.00 C ATOM 970 C SER A 119 11.706 2.020 -3.430 1.00 0.00 C ATOM 971 O SER A 119 11.175 2.942 -4.051 1.00 0.00 O ATOM 972 CB SER A 119 12.012 -0.068 -4.774 1.00 0.00 C ATOM 973 OG SER A 119 11.103 -0.689 -3.882 1.00 0.00 O ATOM 0 H SER A 119 13.494 -0.301 -2.752 1.00 0.00 H new ATOM 0 HA SER A 119 13.259 1.681 -4.860 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.477 0.284 -5.656 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.746 -0.797 -5.116 1.00 0.00 H new ATOM 0 HG SER A 119 11.585 -1.002 -3.088 1.00 0.00 H new ATOM 979 N LYS A 120 11.436 1.758 -2.156 1.00 0.00 N ATOM 980 CA LYS A 120 10.480 2.555 -1.396 1.00 0.00 C ATOM 981 C LYS A 120 11.152 3.789 -0.802 1.00 0.00 C ATOM 982 O LYS A 120 10.860 4.182 0.328 1.00 0.00 O ATOM 983 CB LYS A 120 9.856 1.714 -0.280 1.00 0.00 C ATOM 984 CG LYS A 120 9.255 0.407 -0.768 1.00 0.00 C ATOM 985 CD LYS A 120 9.308 -0.667 0.306 1.00 0.00 C ATOM 986 CE LYS A 120 8.083 -0.616 1.206 1.00 0.00 C ATOM 987 NZ LYS A 120 8.180 0.476 2.215 1.00 0.00 N ATOM 0 H LYS A 120 11.866 0.999 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 120 9.695 2.883 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.617 1.497 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 120 9.080 2.299 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.220 0.571 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.794 0.066 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 120 9.376 -1.649 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.208 -0.538 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 120 7.191 -0.469 0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.967 -1.572 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.553 0.264 3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 9.161 0.550 2.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.894 1.377 1.780 1.00 0.00 H new ATOM 1001 N ILE A 121 12.051 4.395 -1.569 1.00 0.00 N ATOM 1002 CA ILE A 121 12.762 5.585 -1.119 1.00 0.00 C ATOM 1003 C ILE A 121 12.226 6.838 -1.804 1.00 0.00 C ATOM 1004 O ILE A 121 12.014 6.853 -3.017 1.00 0.00 O ATOM 1005 CB ILE A 121 14.274 5.474 -1.388 1.00 0.00 C ATOM 1006 CG1 ILE A 121 14.822 4.167 -0.811 1.00 0.00 C ATOM 1007 CG2 ILE A 121 15.007 6.669 -0.796 1.00 0.00 C ATOM 1008 CD1 ILE A 121 14.796 4.116 0.701 1.00 0.00 C ATOM 0 H ILE A 121 12.305 4.081 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 121 12.598 5.662 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 121 14.437 5.470 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 121 14.240 3.333 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 121 15.848 4.030 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.075 6.576 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 121 14.632 7.587 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 121 14.840 6.702 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.199 3.162 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.401 4.929 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 121 13.769 4.221 1.051 1.00 0.00 H new ATOM 1020 N LYS A 122 12.009 7.888 -1.019 1.00 0.00 N ATOM 1021 CA LYS A 122 11.501 9.147 -1.549 1.00 0.00 C ATOM 1022 C LYS A 122 12.612 9.937 -2.234 1.00 0.00 C ATOM 1023 O LYS A 122 12.471 10.355 -3.384 1.00 0.00 O ATOM 1024 CB LYS A 122 10.883 9.984 -0.427 1.00 0.00 C ATOM 1025 CG LYS A 122 9.724 10.853 -0.883 1.00 0.00 C ATOM 1026 CD LYS A 122 8.389 10.158 -0.671 1.00 0.00 C ATOM 1027 CE LYS A 122 7.996 9.324 -1.881 1.00 0.00 C ATOM 1028 NZ LYS A 122 7.760 10.170 -3.084 1.00 0.00 N ATOM 0 H LYS A 122 12.177 7.891 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 122 10.733 8.918 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.537 9.318 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 122 11.654 10.620 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.736 11.795 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.844 11.097 -1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 122 8.446 9.518 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.617 10.902 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.783 8.600 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.094 8.756 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.088 9.692 -3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.367 11.087 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.659 10.322 -3.583 1.00 0.00 H new ATOM 1042 N ASP A 123 13.715 10.138 -1.522 1.00 0.00 N ATOM 1043 CA ASP A 123 14.851 10.875 -2.062 1.00 0.00 C ATOM 1044 C ASP A 123 15.214 10.370 -3.455 1.00 0.00 C ATOM 1045 O ASP A 123 15.268 11.143 -4.412 1.00 0.00 O ATOM 1046 CB ASP A 123 16.057 10.751 -1.130 1.00 0.00 C ATOM 1047 CG ASP A 123 17.184 11.689 -1.514 1.00 0.00 C ATOM 1048 OD1 ASP A 123 17.014 12.916 -1.356 1.00 0.00 O ATOM 1049 OD2 ASP A 123 18.237 11.197 -1.973 1.00 0.00 O ATOM 0 H ASP A 123 13.847 9.800 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 123 14.568 11.925 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 123 15.745 10.962 -0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 123 16.421 9.724 -1.147 1.00 0.00 H new ATOM 1054 N CYS A 124 15.463 9.069 -3.560 1.00 0.00 N ATOM 1055 CA CYS A 124 15.823 8.461 -4.836 1.00 0.00 C ATOM 1056 C CYS A 124 14.909 8.956 -5.952 1.00 0.00 C ATOM 1057 O CYS A 124 13.782 9.393 -5.717 1.00 0.00 O ATOM 1058 CB CYS A 124 15.748 6.937 -4.737 1.00 0.00 C ATOM 1059 SG CYS A 124 17.290 6.154 -4.208 1.00 0.00 S ATOM 0 H CYS A 124 15.422 8.416 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 124 16.846 8.753 -5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 124 14.957 6.668 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 124 15.463 6.534 -5.709 1.00 0.00 H new ATOM 0 HG CYS A 124 17.126 4.866 -4.153 1.00 0.00 H new ATOM 1065 N PRO A 125 15.404 8.888 -7.197 1.00 0.00 N ATOM 1066 CA PRO A 125 14.648 9.326 -8.374 1.00 0.00 C ATOM 1067 C PRO A 125 13.474 8.404 -8.685 1.00 0.00 C ATOM 1068 O PRO A 125 12.553 8.780 -9.410 1.00 0.00 O ATOM 1069 CB PRO A 125 15.684 9.272 -9.500 1.00 0.00 C ATOM 1070 CG PRO A 125 16.682 8.263 -9.049 1.00 0.00 C ATOM 1071 CD PRO A 125 16.739 8.378 -7.551 1.00 0.00 C ATOM 0 HA PRO A 125 14.205 10.311 -8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 125 15.226 8.981 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 125 16.149 10.245 -9.657 1.00 0.00 H new ATOM 0 HG2 PRO A 125 16.386 7.259 -9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 125 17.659 8.455 -9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 125 16.939 7.415 -7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 125 17.527 9.059 -7.230 1.00 0.00 H new ATOM 1079 N TRP A 126 13.514 7.197 -8.134 1.00 0.00 N ATOM 1080 CA TRP A 126 12.452 6.221 -8.353 1.00 0.00 C ATOM 1081 C TRP A 126 11.129 6.719 -7.781 1.00 0.00 C ATOM 1082 O TRP A 126 11.009 6.944 -6.577 1.00 0.00 O ATOM 1083 CB TRP A 126 12.824 4.880 -7.718 1.00 0.00 C ATOM 1084 CG TRP A 126 14.300 4.615 -7.711 1.00 0.00 C ATOM 1085 CD1 TRP A 126 15.038 4.117 -6.676 1.00 0.00 C ATOM 1086 CD2 TRP A 126 15.215 4.836 -8.790 1.00 0.00 C ATOM 1087 NE1 TRP A 126 16.357 4.015 -7.047 1.00 0.00 N ATOM 1088 CE2 TRP A 126 16.492 4.449 -8.339 1.00 0.00 C ATOM 1089 CE3 TRP A 126 15.080 5.322 -10.093 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 17.623 4.534 -9.145 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 16.204 5.406 -10.893 1.00 0.00 C ATOM 1092 CH2 TRP A 126 17.462 5.013 -10.417 1.00 0.00 C ATOM 0 H TRP A 126 14.270 6.870 -7.532 1.00 0.00 H new ATOM 0 HA TRP A 126 12.334 6.085 -9.428 1.00 0.00 H new ATOM 0 HB2 TRP A 126 12.453 4.856 -6.693 1.00 0.00 H new ATOM 0 HB3 TRP A 126 12.321 4.078 -8.258 1.00 0.00 H new ATOM 0 HD1 TRP A 126 14.643 3.844 -5.709 1.00 0.00 H new ATOM 0 HE1 TRP A 126 17.114 3.671 -6.456 1.00 0.00 H new ATOM 0 HE3 TRP A 126 14.114 5.627 -10.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 18.594 4.233 -8.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 16.111 5.781 -11.902 1.00 0.00 H new ATOM 0 HH2 TRP A 126 18.321 5.090 -11.067 1.00 0.00 H new ATOM 1103 N SER A 127 10.140 6.888 -8.652 1.00 0.00 N ATOM 1104 CA SER A 127 8.826 7.363 -8.234 1.00 0.00 C ATOM 1105 C SER A 127 7.882 6.192 -7.976 1.00 0.00 C ATOM 1106 O SER A 127 6.859 6.047 -8.644 1.00 0.00 O ATOM 1107 CB SER A 127 8.232 8.288 -9.297 1.00 0.00 C ATOM 1108 OG SER A 127 7.223 9.117 -8.746 1.00 0.00 O ATOM 0 H SER A 127 10.223 6.703 -9.652 1.00 0.00 H new ATOM 0 HA SER A 127 8.947 7.921 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.020 8.906 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.815 7.693 -10.109 1.00 0.00 H new ATOM 0 HG SER A 127 6.860 9.700 -9.445 1.00 0.00 H new ATOM 1114 N GLY A 128 8.234 5.358 -7.002 1.00 0.00 N ATOM 1115 CA GLY A 128 7.409 4.211 -6.673 1.00 0.00 C ATOM 1116 C GLY A 128 7.972 2.915 -7.223 1.00 0.00 C ATOM 1117 O GLY A 128 9.150 2.822 -7.568 1.00 0.00 O ATOM 0 H GLY A 128 9.076 5.457 -6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 128 7.316 4.133 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.405 4.364 -7.068 1.00 0.00 H new ATOM 1121 N PRO A 129 7.119 1.884 -7.309 1.00 0.00 N ATOM 1122 CA PRO A 129 7.515 0.568 -7.819 1.00 0.00 C ATOM 1123 C PRO A 129 7.796 0.588 -9.318 1.00 0.00 C ATOM 1124 O PRO A 129 8.237 -0.409 -9.890 1.00 0.00 O ATOM 1125 CB PRO A 129 6.301 -0.312 -7.514 1.00 0.00 C ATOM 1126 CG PRO A 129 5.151 0.635 -7.462 1.00 0.00 C ATOM 1127 CD PRO A 129 5.700 1.924 -6.916 1.00 0.00 C ATOM 0 HA PRO A 129 8.439 0.215 -7.361 1.00 0.00 H new ATOM 0 HB2 PRO A 129 6.156 -1.069 -8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 129 6.422 -0.840 -6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 129 4.722 0.782 -8.453 1.00 0.00 H new ATOM 0 HG3 PRO A 129 4.356 0.249 -6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 129 5.190 2.789 -7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 129 5.584 1.984 -5.834 1.00 0.00 H new ATOM 1135 N SER A 130 7.539 1.729 -9.949 1.00 0.00 N ATOM 1136 CA SER A 130 7.761 1.877 -11.382 1.00 0.00 C ATOM 1137 C SER A 130 8.412 3.221 -11.695 1.00 0.00 C ATOM 1138 O SER A 130 7.766 4.267 -11.632 1.00 0.00 O ATOM 1139 CB SER A 130 6.438 1.751 -12.140 1.00 0.00 C ATOM 1140 OG SER A 130 5.868 0.466 -11.959 1.00 0.00 O ATOM 0 H SER A 130 7.177 2.565 -9.490 1.00 0.00 H new ATOM 0 HA SER A 130 8.434 1.082 -11.704 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.742 2.514 -11.792 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.605 1.932 -13.202 1.00 0.00 H new ATOM 0 HG SER A 130 5.023 0.411 -12.452 1.00 0.00 H new ATOM 1146 N SER A 131 9.698 3.184 -12.033 1.00 0.00 N ATOM 1147 CA SER A 131 10.439 4.398 -12.352 1.00 0.00 C ATOM 1148 C SER A 131 10.327 4.729 -13.837 1.00 0.00 C ATOM 1149 O SER A 131 11.309 5.102 -14.477 1.00 0.00 O ATOM 1150 CB SER A 131 11.911 4.239 -11.963 1.00 0.00 C ATOM 1151 OG SER A 131 12.050 4.026 -10.569 1.00 0.00 O ATOM 0 H SER A 131 10.247 2.327 -12.093 1.00 0.00 H new ATOM 0 HA SER A 131 10.006 5.219 -11.781 1.00 0.00 H new ATOM 0 HB2 SER A 131 12.346 3.401 -12.507 1.00 0.00 H new ATOM 0 HB3 SER A 131 12.466 5.131 -12.255 1.00 0.00 H new ATOM 0 HG SER A 131 12.976 4.205 -10.301 1.00 0.00 H new ATOM 1157 N GLY A 132 9.121 4.588 -14.379 1.00 0.00 N ATOM 1158 CA GLY A 132 8.901 4.875 -15.784 1.00 0.00 C ATOM 1159 C GLY A 132 9.281 3.713 -16.680 1.00 0.00 C ATOM 1160 O GLY A 132 8.502 3.358 -17.564 1.00 0.00 O ATOM 0 H GLY A 132 8.293 4.280 -13.870 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.851 5.122 -15.941 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.481 5.753 -16.067 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.880 -10.211 7.602 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 8.149 -13.431 1.836 1.00 0.00 ZN