USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 78 HIS HD1 : A 78 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0866 (180deg=0) USER MOD Single : A 2 SER OG : rot 3:sc= 0.671 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -55:sc=0.000871 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.179 F(o=-1.9!,f=-0.18) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.063) USER MOD Single : A 25 MET CE :methyl -107:sc= -0.563 (180deg=-2.42!) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= -0.176 (180deg=-0.752) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -118:sc= 0.716 (180deg=-0.355) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0.154 (180deg=0.0871) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.4! C(o=-5.4!,f=-6.2!) USER MOD Single : A 60 ASN : amide:sc= -0.0495 X(o=-0.049,f=-0.34) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 165:sc= -1.14 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 4:sc= 0.287 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.809 17.323 45.117 1.00 0.00 N ATOM 2 CA GLY A 1 -49.220 18.596 44.555 1.00 0.00 C ATOM 3 C GLY A 1 -50.235 18.437 43.440 1.00 0.00 C ATOM 4 O GLY A 1 -50.596 17.318 43.076 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.981 17.325 46.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 -49.355 16.556 44.675 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.796 17.175 44.936 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -49.645 19.217 45.343 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -48.344 19.121 44.173 1.00 0.00 H new ATOM 8 N SER A 2 -50.697 19.559 42.898 1.00 0.00 N ATOM 9 CA SER A 2 -51.680 19.540 41.822 1.00 0.00 C ATOM 10 C SER A 2 -51.158 20.282 40.595 1.00 0.00 C ATOM 11 O SER A 2 -50.918 21.488 40.641 1.00 0.00 O ATOM 12 CB SER A 2 -52.993 20.169 42.291 1.00 0.00 C ATOM 13 OG SER A 2 -52.864 21.572 42.436 1.00 0.00 O ATOM 0 H SER A 2 -50.406 20.493 43.187 1.00 0.00 H new ATOM 0 HA SER A 2 -51.860 18.501 41.547 1.00 0.00 H new ATOM 0 HB2 SER A 2 -53.783 19.946 41.574 1.00 0.00 H new ATOM 0 HB3 SER A 2 -53.292 19.728 43.242 1.00 0.00 H new ATOM 0 HG SER A 2 -51.965 21.848 42.161 1.00 0.00 H new ATOM 19 N SER A 3 -50.984 19.550 39.498 1.00 0.00 N ATOM 20 CA SER A 3 -50.487 20.137 38.259 1.00 0.00 C ATOM 21 C SER A 3 -51.440 19.852 37.103 1.00 0.00 C ATOM 22 O SER A 3 -52.416 19.119 37.254 1.00 0.00 O ATOM 23 CB SER A 3 -49.095 19.590 37.935 1.00 0.00 C ATOM 24 OG SER A 3 -48.089 20.321 38.615 1.00 0.00 O ATOM 0 H SER A 3 -51.180 18.551 39.443 1.00 0.00 H new ATOM 0 HA SER A 3 -50.423 21.216 38.396 1.00 0.00 H new ATOM 0 HB2 SER A 3 -49.039 18.539 38.218 1.00 0.00 H new ATOM 0 HB3 SER A 3 -48.922 19.641 36.860 1.00 0.00 H new ATOM 0 HG SER A 3 -47.209 19.951 38.393 1.00 0.00 H new ATOM 30 N GLY A 4 -51.148 20.438 35.945 1.00 0.00 N ATOM 31 CA GLY A 4 -51.987 20.236 34.779 1.00 0.00 C ATOM 32 C GLY A 4 -51.278 19.469 33.680 1.00 0.00 C ATOM 33 O GLY A 4 -50.315 19.961 33.093 1.00 0.00 O ATOM 0 H GLY A 4 -50.345 21.049 35.794 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -52.887 19.696 35.072 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -52.307 21.204 34.394 1.00 0.00 H new ATOM 37 N SER A 5 -51.755 18.260 33.402 1.00 0.00 N ATOM 38 CA SER A 5 -51.157 17.421 32.369 1.00 0.00 C ATOM 39 C SER A 5 -52.198 16.491 31.755 1.00 0.00 C ATOM 40 O SER A 5 -52.724 15.601 32.423 1.00 0.00 O ATOM 41 CB SER A 5 -50.005 16.601 32.953 1.00 0.00 C ATOM 42 OG SER A 5 -49.316 15.895 31.937 1.00 0.00 O ATOM 0 H SER A 5 -52.553 17.839 33.877 1.00 0.00 H new ATOM 0 HA SER A 5 -50.770 18.072 31.585 1.00 0.00 H new ATOM 0 HB2 SER A 5 -49.313 17.261 33.475 1.00 0.00 H new ATOM 0 HB3 SER A 5 -50.392 15.898 33.690 1.00 0.00 H new ATOM 0 HG SER A 5 -48.584 15.380 32.336 1.00 0.00 H new ATOM 48 N SER A 6 -52.491 16.704 30.476 1.00 0.00 N ATOM 49 CA SER A 6 -53.472 15.888 29.770 1.00 0.00 C ATOM 50 C SER A 6 -52.852 15.239 28.536 1.00 0.00 C ATOM 51 O SER A 6 -51.799 15.661 28.062 1.00 0.00 O ATOM 52 CB SER A 6 -54.676 16.739 29.362 1.00 0.00 C ATOM 53 OG SER A 6 -55.416 17.154 30.497 1.00 0.00 O ATOM 0 H SER A 6 -52.063 17.435 29.908 1.00 0.00 H new ATOM 0 HA SER A 6 -53.805 15.100 30.445 1.00 0.00 H new ATOM 0 HB2 SER A 6 -54.336 17.613 28.806 1.00 0.00 H new ATOM 0 HB3 SER A 6 -55.320 16.167 28.694 1.00 0.00 H new ATOM 0 HG SER A 6 -56.179 17.698 30.209 1.00 0.00 H new ATOM 59 N GLY A 7 -53.516 14.208 28.021 1.00 0.00 N ATOM 60 CA GLY A 7 -53.016 13.516 26.848 1.00 0.00 C ATOM 61 C GLY A 7 -51.951 12.492 27.188 1.00 0.00 C ATOM 62 O GLY A 7 -51.085 12.741 28.027 1.00 0.00 O ATOM 0 H GLY A 7 -54.391 13.840 28.395 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -53.844 13.020 26.342 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -52.605 14.244 26.148 1.00 0.00 H new ATOM 66 N VAL A 8 -52.015 11.335 26.536 1.00 0.00 N ATOM 67 CA VAL A 8 -51.050 10.269 26.775 1.00 0.00 C ATOM 68 C VAL A 8 -50.612 9.621 25.466 1.00 0.00 C ATOM 69 O VAL A 8 -51.422 9.025 24.755 1.00 0.00 O ATOM 70 CB VAL A 8 -51.628 9.185 27.703 1.00 0.00 C ATOM 71 CG1 VAL A 8 -50.625 8.059 27.900 1.00 0.00 C ATOM 72 CG2 VAL A 8 -52.033 9.789 29.039 1.00 0.00 C ATOM 0 H VAL A 8 -52.725 11.113 25.838 1.00 0.00 H new ATOM 0 HA VAL A 8 -50.187 10.727 27.258 1.00 0.00 H new ATOM 0 HB VAL A 8 -52.519 8.767 27.234 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -51.052 7.303 28.559 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -50.389 7.609 26.936 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -49.714 8.457 28.347 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -52.440 9.009 29.683 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -51.160 10.235 29.516 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -52.790 10.557 28.877 1.00 0.00 H new ATOM 82 N ARG A 9 -49.326 9.740 25.154 1.00 0.00 N ATOM 83 CA ARG A 9 -48.780 9.167 23.930 1.00 0.00 C ATOM 84 C ARG A 9 -47.455 8.461 24.203 1.00 0.00 C ATOM 85 O ARG A 9 -46.663 8.907 25.033 1.00 0.00 O ATOM 86 CB ARG A 9 -48.582 10.257 22.875 1.00 0.00 C ATOM 87 CG ARG A 9 -47.359 11.125 23.119 1.00 0.00 C ATOM 88 CD ARG A 9 -47.664 12.256 24.089 1.00 0.00 C ATOM 89 NE ARG A 9 -46.471 13.032 24.418 1.00 0.00 N ATOM 90 CZ ARG A 9 -46.492 14.331 24.695 1.00 0.00 C ATOM 91 NH1 ARG A 9 -47.639 14.996 24.683 1.00 0.00 N ATOM 92 NH2 ARG A 9 -45.364 14.967 24.984 1.00 0.00 N ATOM 0 H ARG A 9 -48.642 10.228 25.732 1.00 0.00 H new ATOM 0 HA ARG A 9 -49.492 8.432 23.554 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -48.496 9.790 21.894 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -49.468 10.891 22.849 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -46.550 10.512 23.516 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -47.011 11.539 22.173 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -48.416 12.914 23.653 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -48.092 11.844 25.003 1.00 0.00 H new ATOM 0 HE ARG A 9 -45.572 12.550 24.436 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -48.508 14.510 24.461 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -47.652 15.993 24.896 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -44.480 14.458 24.994 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -45.381 15.964 25.197 1.00 0.00 H new ATOM 106 N ALA A 10 -47.222 7.358 23.500 1.00 0.00 N ATOM 107 CA ALA A 10 -45.993 6.592 23.666 1.00 0.00 C ATOM 108 C ALA A 10 -45.352 6.283 22.317 1.00 0.00 C ATOM 109 O ALA A 10 -46.030 6.139 21.299 1.00 0.00 O ATOM 110 CB ALA A 10 -46.272 5.304 24.427 1.00 0.00 C ATOM 0 H ALA A 10 -47.868 6.975 22.810 1.00 0.00 H new ATOM 0 HA ALA A 10 -45.293 7.197 24.242 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -45.345 4.742 24.544 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -46.678 5.543 25.410 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -46.993 4.703 23.873 1.00 0.00 H new ATOM 116 N PRO A 11 -44.015 6.180 22.306 1.00 0.00 N ATOM 117 CA PRO A 11 -43.253 5.888 21.088 1.00 0.00 C ATOM 118 C PRO A 11 -43.466 4.459 20.601 1.00 0.00 C ATOM 119 O PRO A 11 -43.843 3.578 21.374 1.00 0.00 O ATOM 120 CB PRO A 11 -41.800 6.095 21.520 1.00 0.00 C ATOM 121 CG PRO A 11 -41.805 5.862 22.992 1.00 0.00 C ATOM 122 CD PRO A 11 -43.143 6.341 23.482 1.00 0.00 C ATOM 0 HA PRO A 11 -43.558 6.521 20.255 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -41.133 5.399 21.011 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -41.455 7.101 21.280 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -41.661 4.806 23.220 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -40.994 6.406 23.476 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -43.496 5.751 24.328 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -43.102 7.379 23.813 1.00 0.00 H new ATOM 130 N VAL A 12 -43.220 4.234 19.314 1.00 0.00 N ATOM 131 CA VAL A 12 -43.382 2.911 18.724 1.00 0.00 C ATOM 132 C VAL A 12 -42.743 1.838 19.597 1.00 0.00 C ATOM 133 O VAL A 12 -43.328 0.779 19.830 1.00 0.00 O ATOM 134 CB VAL A 12 -42.766 2.845 17.314 1.00 0.00 C ATOM 135 CG1 VAL A 12 -43.497 3.784 16.367 1.00 0.00 C ATOM 136 CG2 VAL A 12 -41.282 3.178 17.366 1.00 0.00 C ATOM 0 H VAL A 12 -42.908 4.952 18.660 1.00 0.00 H new ATOM 0 HA VAL A 12 -44.454 2.726 18.652 1.00 0.00 H new ATOM 0 HB VAL A 12 -42.875 1.829 16.936 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -43.048 3.724 15.376 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -44.547 3.496 16.308 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -43.421 4.806 16.738 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -40.862 3.127 16.361 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -41.149 4.184 17.764 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -40.771 2.462 18.010 1.00 0.00 H new ATOM 146 N THR A 13 -41.536 2.117 20.080 1.00 0.00 N ATOM 147 CA THR A 13 -40.815 1.175 20.927 1.00 0.00 C ATOM 148 C THR A 13 -40.939 -0.248 20.396 1.00 0.00 C ATOM 149 O THR A 13 -40.962 -1.209 21.166 1.00 0.00 O ATOM 150 CB THR A 13 -41.331 1.217 22.378 1.00 0.00 C ATOM 151 OG1 THR A 13 -40.295 0.809 23.278 1.00 0.00 O ATOM 152 CG2 THR A 13 -42.542 0.312 22.548 1.00 0.00 C ATOM 0 H THR A 13 -41.037 2.988 19.899 1.00 0.00 H new ATOM 0 HA THR A 13 -39.767 1.474 20.913 1.00 0.00 H new ATOM 0 HB THR A 13 -41.627 2.241 22.605 1.00 0.00 H new ATOM 0 HG1 THR A 13 -39.961 -0.073 23.013 1.00 0.00 H new ATOM 0 HG21 THR A 13 -42.889 0.358 23.580 1.00 0.00 H new ATOM 0 HG22 THR A 13 -43.339 0.642 21.882 1.00 0.00 H new ATOM 0 HG23 THR A 13 -42.267 -0.714 22.303 1.00 0.00 H new ATOM 160 N LYS A 14 -41.017 -0.378 19.076 1.00 0.00 N ATOM 161 CA LYS A 14 -41.136 -1.685 18.441 1.00 0.00 C ATOM 162 C LYS A 14 -39.772 -2.355 18.314 1.00 0.00 C ATOM 163 O LYS A 14 -38.835 -1.779 17.760 1.00 0.00 O ATOM 164 CB LYS A 14 -41.779 -1.546 17.059 1.00 0.00 C ATOM 165 CG LYS A 14 -43.276 -1.800 17.056 1.00 0.00 C ATOM 166 CD LYS A 14 -44.062 -0.499 17.090 1.00 0.00 C ATOM 167 CE LYS A 14 -45.503 -0.730 17.517 1.00 0.00 C ATOM 168 NZ LYS A 14 -46.300 -1.389 16.446 1.00 0.00 N ATOM 0 H LYS A 14 -41.000 0.407 18.425 1.00 0.00 H new ATOM 0 HA LYS A 14 -41.770 -2.310 19.069 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -41.589 -0.543 16.678 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -41.299 -2.244 16.373 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -43.548 -2.367 16.166 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -43.544 -2.411 17.918 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.585 0.198 17.779 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -44.043 -0.035 16.104 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -45.521 -1.347 18.415 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -45.962 0.224 17.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -47.276 -1.529 16.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -46.304 -0.788 15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -45.877 -2.311 16.216 1.00 0.00 H new ATOM 182 N VAL A 15 -39.666 -3.575 18.830 1.00 0.00 N ATOM 183 CA VAL A 15 -38.417 -4.324 18.772 1.00 0.00 C ATOM 184 C VAL A 15 -37.908 -4.435 17.339 1.00 0.00 C ATOM 185 O VAL A 15 -38.691 -4.594 16.402 1.00 0.00 O ATOM 186 CB VAL A 15 -38.584 -5.740 19.356 1.00 0.00 C ATOM 187 CG1 VAL A 15 -39.518 -6.569 18.489 1.00 0.00 C ATOM 188 CG2 VAL A 15 -37.230 -6.420 19.498 1.00 0.00 C ATOM 0 H VAL A 15 -40.431 -4.066 19.293 1.00 0.00 H new ATOM 0 HA VAL A 15 -37.691 -3.774 19.371 1.00 0.00 H new ATOM 0 HB VAL A 15 -39.029 -5.655 20.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -39.623 -7.566 18.918 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -40.495 -6.088 18.444 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -39.106 -6.648 17.483 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -37.366 -7.419 19.912 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -36.756 -6.494 18.519 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -36.597 -5.834 20.165 1.00 0.00 H new ATOM 198 N HIS A 16 -36.592 -4.350 17.176 1.00 0.00 N ATOM 199 CA HIS A 16 -35.977 -4.441 15.857 1.00 0.00 C ATOM 200 C HIS A 16 -34.666 -5.219 15.921 1.00 0.00 C ATOM 201 O HIS A 16 -34.119 -5.445 16.999 1.00 0.00 O ATOM 202 CB HIS A 16 -35.727 -3.044 15.289 1.00 0.00 C ATOM 203 CG HIS A 16 -35.451 -3.035 13.817 1.00 0.00 C ATOM 204 ND1 HIS A 16 -35.872 -3.863 12.833 1.00 0.00 N flip ATOM 205 CD2 HIS A 16 -34.651 -2.092 13.207 1.00 0.00 C flip ATOM 206 CE1 HIS A 16 -35.326 -3.410 11.658 1.00 0.00 C flip ATOM 207 NE2 HIS A 16 -34.594 -2.340 11.911 1.00 0.00 N flip ATOM 0 H HIS A 16 -35.931 -4.218 17.941 1.00 0.00 H new ATOM 0 HA HIS A 16 -36.664 -4.974 15.200 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -36.596 -2.418 15.491 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -34.882 -2.595 15.811 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -34.150 -1.278 13.710 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -35.471 -3.856 10.685 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -34.073 -1.797 11.222 1.00 0.00 H new ATOM 216 N GLY A 17 -34.168 -5.627 14.757 1.00 0.00 N ATOM 217 CA GLY A 17 -32.926 -6.376 14.703 1.00 0.00 C ATOM 218 C GLY A 17 -32.954 -7.470 13.655 1.00 0.00 C ATOM 219 O GLY A 17 -33.519 -7.293 12.577 1.00 0.00 O ATOM 0 H GLY A 17 -34.603 -5.452 13.851 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -32.103 -5.694 14.490 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -32.729 -6.818 15.680 1.00 0.00 H new ATOM 223 N GLY A 18 -32.340 -8.607 13.971 1.00 0.00 N ATOM 224 CA GLY A 18 -32.307 -9.717 13.037 1.00 0.00 C ATOM 225 C GLY A 18 -31.129 -10.641 13.277 1.00 0.00 C ATOM 226 O GLY A 18 -30.226 -10.319 14.048 1.00 0.00 O ATOM 0 H GLY A 18 -31.865 -8.779 14.857 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -33.233 -10.285 13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -32.260 -9.330 12.019 1.00 0.00 H new ATOM 230 N ALA A 19 -31.140 -11.794 12.615 1.00 0.00 N ATOM 231 CA ALA A 19 -30.065 -12.767 12.760 1.00 0.00 C ATOM 232 C ALA A 19 -28.800 -12.298 12.048 1.00 0.00 C ATOM 233 O ALA A 19 -28.843 -11.898 10.886 1.00 0.00 O ATOM 234 CB ALA A 19 -30.503 -14.122 12.224 1.00 0.00 C ATOM 0 H ALA A 19 -31.881 -12.076 11.974 1.00 0.00 H new ATOM 0 HA ALA A 19 -29.838 -12.865 13.822 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -29.690 -14.839 12.339 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -31.374 -14.469 12.780 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -30.759 -14.030 11.169 1.00 0.00 H new ATOM 240 N GLY A 20 -27.675 -12.350 12.754 1.00 0.00 N ATOM 241 CA GLY A 20 -26.414 -11.927 12.173 1.00 0.00 C ATOM 242 C GLY A 20 -26.200 -12.487 10.781 1.00 0.00 C ATOM 243 O GLY A 20 -26.054 -13.697 10.607 1.00 0.00 O ATOM 0 H GLY A 20 -27.614 -12.678 13.718 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -26.384 -10.838 12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -25.595 -12.245 12.819 1.00 0.00 H new ATOM 247 N SER A 21 -26.184 -11.606 9.786 1.00 0.00 N ATOM 248 CA SER A 21 -25.992 -12.019 8.401 1.00 0.00 C ATOM 249 C SER A 21 -24.520 -11.935 8.008 1.00 0.00 C ATOM 250 O SER A 21 -23.879 -10.900 8.180 1.00 0.00 O ATOM 251 CB SER A 21 -26.832 -11.148 7.466 1.00 0.00 C ATOM 252 OG SER A 21 -26.965 -11.750 6.190 1.00 0.00 O ATOM 0 H SER A 21 -26.302 -10.601 9.913 1.00 0.00 H new ATOM 0 HA SER A 21 -26.316 -13.056 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 21 -27.819 -10.989 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 21 -26.367 -10.167 7.362 1.00 0.00 H new ATOM 0 HG SER A 21 -27.508 -11.174 5.612 1.00 0.00 H new ATOM 258 N ALA A 22 -23.992 -13.034 7.479 1.00 0.00 N ATOM 259 CA ALA A 22 -22.597 -13.086 7.059 1.00 0.00 C ATOM 260 C ALA A 22 -22.485 -13.266 5.549 1.00 0.00 C ATOM 261 O ALA A 22 -23.171 -14.103 4.962 1.00 0.00 O ATOM 262 CB ALA A 22 -21.870 -14.209 7.782 1.00 0.00 C ATOM 0 H ALA A 22 -24.509 -13.900 7.331 1.00 0.00 H new ATOM 0 HA ALA A 22 -22.128 -12.137 7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.829 -14.236 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.911 -14.036 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -22.347 -15.161 7.549 1.00 0.00 H new ATOM 268 N GLN A 23 -21.617 -12.476 4.926 1.00 0.00 N ATOM 269 CA GLN A 23 -21.417 -12.548 3.484 1.00 0.00 C ATOM 270 C GLN A 23 -20.007 -13.028 3.153 1.00 0.00 C ATOM 271 O GLN A 23 -19.124 -13.028 4.011 1.00 0.00 O ATOM 272 CB GLN A 23 -21.666 -11.181 2.844 1.00 0.00 C ATOM 273 CG GLN A 23 -23.120 -10.741 2.897 1.00 0.00 C ATOM 274 CD GLN A 23 -24.017 -11.582 2.010 1.00 0.00 C ATOM 275 OE1 GLN A 23 -23.821 -11.651 0.796 1.00 0.00 O ATOM 276 NE2 GLN A 23 -25.009 -12.228 2.612 1.00 0.00 N ATOM 0 H GLN A 23 -21.041 -11.779 5.397 1.00 0.00 H new ATOM 0 HA GLN A 23 -22.130 -13.266 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.051 -10.436 3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.342 -11.211 1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.476 -10.798 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -23.191 -9.697 2.593 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -25.135 -12.143 3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -25.645 -12.809 2.066 1.00 0.00 H new ATOM 285 N ARG A 24 -19.804 -13.436 1.905 1.00 0.00 N ATOM 286 CA ARG A 24 -18.502 -13.920 1.462 1.00 0.00 C ATOM 287 C ARG A 24 -17.721 -12.813 0.760 1.00 0.00 C ATOM 288 O ARG A 24 -16.763 -13.080 0.035 1.00 0.00 O ATOM 289 CB ARG A 24 -18.672 -15.114 0.521 1.00 0.00 C ATOM 290 CG ARG A 24 -18.733 -16.452 1.239 1.00 0.00 C ATOM 291 CD ARG A 24 -20.138 -16.752 1.738 1.00 0.00 C ATOM 292 NE ARG A 24 -20.369 -18.186 1.894 1.00 0.00 N ATOM 293 CZ ARG A 24 -20.470 -19.029 0.873 1.00 0.00 C ATOM 294 NH1 ARG A 24 -20.361 -18.585 -0.372 1.00 0.00 N ATOM 295 NH2 ARG A 24 -20.680 -20.321 1.096 1.00 0.00 N ATOM 0 H ARG A 24 -20.524 -13.441 1.183 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.941 -14.236 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.585 -14.981 -0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -17.843 -15.129 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -18.409 -17.244 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.040 -16.447 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -20.297 -16.253 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.866 -16.341 1.039 1.00 0.00 H new ATOM 0 HE ARG A 24 -20.458 -18.560 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.199 -17.593 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -20.439 -19.235 -1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -20.764 -20.666 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -20.758 -20.968 0.311 1.00 0.00 H new ATOM 309 N MET A 25 -18.137 -11.570 0.982 1.00 0.00 N ATOM 310 CA MET A 25 -17.475 -10.423 0.372 1.00 0.00 C ATOM 311 C MET A 25 -16.080 -10.225 0.957 1.00 0.00 C ATOM 312 O MET A 25 -15.798 -10.605 2.093 1.00 0.00 O ATOM 313 CB MET A 25 -18.311 -9.158 0.575 1.00 0.00 C ATOM 314 CG MET A 25 -18.101 -8.502 1.930 1.00 0.00 C ATOM 315 SD MET A 25 -18.615 -9.557 3.299 1.00 0.00 S ATOM 316 CE MET A 25 -17.204 -9.406 4.392 1.00 0.00 C ATOM 0 H MET A 25 -18.929 -11.332 1.579 1.00 0.00 H new ATOM 0 HA MET A 25 -17.377 -10.617 -0.696 1.00 0.00 H new ATOM 0 HB2 MET A 25 -18.066 -8.441 -0.209 1.00 0.00 H new ATOM 0 HB3 MET A 25 -19.366 -9.407 0.461 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.047 -8.249 2.047 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.660 -7.567 1.967 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.629 -10.332 4.374 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.574 -8.581 4.061 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.550 -9.214 5.408 1.00 0.00 H new ATOM 326 N PRO A 26 -15.186 -9.617 0.164 1.00 0.00 N ATOM 327 CA PRO A 26 -13.806 -9.354 0.583 1.00 0.00 C ATOM 328 C PRO A 26 -13.722 -8.283 1.665 1.00 0.00 C ATOM 329 O PRO A 26 -14.507 -7.334 1.676 1.00 0.00 O ATOM 330 CB PRO A 26 -13.131 -8.870 -0.703 1.00 0.00 C ATOM 331 CG PRO A 26 -14.240 -8.309 -1.525 1.00 0.00 C ATOM 332 CD PRO A 26 -15.453 -9.137 -1.202 1.00 0.00 C ATOM 0 HA PRO A 26 -13.338 -10.236 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.373 -8.115 -0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.630 -9.689 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.410 -7.259 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.003 -8.361 -2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.367 -8.545 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.573 -9.964 -1.902 1.00 0.00 H new ATOM 340 N LEU A 27 -12.766 -8.441 2.574 1.00 0.00 N ATOM 341 CA LEU A 27 -12.579 -7.486 3.661 1.00 0.00 C ATOM 342 C LEU A 27 -11.381 -6.581 3.391 1.00 0.00 C ATOM 343 O LEU A 27 -10.254 -7.054 3.244 1.00 0.00 O ATOM 344 CB LEU A 27 -12.387 -8.224 4.987 1.00 0.00 C ATOM 345 CG LEU A 27 -13.003 -7.561 6.220 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.331 -6.226 6.499 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.502 -7.378 6.034 1.00 0.00 C ATOM 0 H LEU A 27 -12.109 -9.221 2.580 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.473 -6.865 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.809 -9.224 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.318 -8.346 5.161 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.841 -8.212 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.782 -5.769 7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.267 -6.384 6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.461 -5.567 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.924 -6.905 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.686 -6.748 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.971 -8.350 5.884 1.00 0.00 H new ATOM 359 N CYS A 28 -11.633 -5.278 3.330 1.00 0.00 N ATOM 360 CA CYS A 28 -10.575 -4.306 3.080 1.00 0.00 C ATOM 361 C CYS A 28 -9.412 -4.507 4.047 1.00 0.00 C ATOM 362 O CYS A 28 -9.575 -4.399 5.262 1.00 0.00 O ATOM 363 CB CYS A 28 -11.121 -2.883 3.212 1.00 0.00 C ATOM 364 SG CYS A 28 -9.993 -1.593 2.592 1.00 0.00 S ATOM 0 H CYS A 28 -12.560 -4.871 3.450 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.210 -4.456 2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.065 -2.816 2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.340 -2.685 4.261 1.00 0.00 H new ATOM 369 N ASP A 29 -8.238 -4.801 3.498 1.00 0.00 N ATOM 370 CA ASP A 29 -7.046 -5.016 4.310 1.00 0.00 C ATOM 371 C ASP A 29 -6.475 -3.689 4.799 1.00 0.00 C ATOM 372 O ASP A 29 -5.456 -3.656 5.489 1.00 0.00 O ATOM 373 CB ASP A 29 -5.988 -5.777 3.509 1.00 0.00 C ATOM 374 CG ASP A 29 -6.103 -7.279 3.678 1.00 0.00 C ATOM 375 OD1 ASP A 29 -5.533 -7.812 4.653 1.00 0.00 O ATOM 376 OD2 ASP A 29 -6.764 -7.921 2.836 1.00 0.00 O ATOM 0 H ASP A 29 -8.087 -4.896 2.494 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.330 -5.610 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.085 -5.525 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.996 -5.454 3.824 1.00 0.00 H new ATOM 381 N LYS A 30 -7.138 -2.596 4.437 1.00 0.00 N ATOM 382 CA LYS A 30 -6.698 -1.265 4.838 1.00 0.00 C ATOM 383 C LYS A 30 -7.474 -0.780 6.059 1.00 0.00 C ATOM 384 O LYS A 30 -6.887 -0.448 7.089 1.00 0.00 O ATOM 385 CB LYS A 30 -6.874 -0.277 3.683 1.00 0.00 C ATOM 386 CG LYS A 30 -6.492 1.149 4.039 1.00 0.00 C ATOM 387 CD LYS A 30 -5.073 1.472 3.604 1.00 0.00 C ATOM 388 CE LYS A 30 -4.558 2.736 4.275 1.00 0.00 C ATOM 389 NZ LYS A 30 -4.568 2.620 5.760 1.00 0.00 N ATOM 0 H LYS A 30 -7.983 -2.606 3.866 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.642 -1.323 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.268 -0.606 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.914 -0.295 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.186 1.842 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.585 1.294 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.417 0.636 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.042 1.595 2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.543 2.941 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.173 3.584 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.870 3.277 6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.515 2.856 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.326 1.646 6.034 1.00 0.00 H new ATOM 403 N CYS A 31 -8.797 -0.743 5.937 1.00 0.00 N ATOM 404 CA CYS A 31 -9.654 -0.301 7.029 1.00 0.00 C ATOM 405 C CYS A 31 -10.463 -1.466 7.592 1.00 0.00 C ATOM 406 O CYS A 31 -11.435 -1.266 8.320 1.00 0.00 O ATOM 407 CB CYS A 31 -10.597 0.805 6.550 1.00 0.00 C ATOM 408 SG CYS A 31 -11.853 0.245 5.355 1.00 0.00 S ATOM 0 H CYS A 31 -9.299 -1.014 5.091 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.017 0.092 7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.101 1.238 7.414 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.006 1.600 6.094 1.00 0.00 H new ATOM 413 N GLY A 32 -10.054 -2.683 7.249 1.00 0.00 N ATOM 414 CA GLY A 32 -10.751 -3.862 7.729 1.00 0.00 C ATOM 415 C GLY A 32 -12.253 -3.664 7.788 1.00 0.00 C ATOM 416 O GLY A 32 -12.892 -4.003 8.784 1.00 0.00 O ATOM 0 H GLY A 32 -9.253 -2.874 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.524 -4.705 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.382 -4.119 8.722 1.00 0.00 H new ATOM 420 N SER A 33 -12.818 -3.113 6.718 1.00 0.00 N ATOM 421 CA SER A 33 -14.253 -2.865 6.654 1.00 0.00 C ATOM 422 C SER A 33 -14.872 -3.564 5.448 1.00 0.00 C ATOM 423 O SER A 33 -14.392 -3.429 4.324 1.00 0.00 O ATOM 424 CB SER A 33 -14.530 -1.362 6.584 1.00 0.00 C ATOM 425 OG SER A 33 -15.766 -1.042 7.199 1.00 0.00 O ATOM 0 H SER A 33 -12.303 -2.830 5.884 1.00 0.00 H new ATOM 0 HA SER A 33 -14.707 -3.269 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.724 -0.817 7.075 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.544 -1.040 5.543 1.00 0.00 H new ATOM 0 HG SER A 33 -15.919 -0.076 7.143 1.00 0.00 H new ATOM 431 N GLY A 34 -15.943 -4.314 5.691 1.00 0.00 N ATOM 432 CA GLY A 34 -16.611 -5.024 4.616 1.00 0.00 C ATOM 433 C GLY A 34 -16.686 -4.208 3.341 1.00 0.00 C ATOM 434 O GLY A 34 -16.878 -2.993 3.384 1.00 0.00 O ATOM 0 H GLY A 34 -16.360 -4.442 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.082 -5.956 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.619 -5.291 4.933 1.00 0.00 H new ATOM 438 N ILE A 35 -16.533 -4.877 2.203 1.00 0.00 N ATOM 439 CA ILE A 35 -16.583 -4.206 0.910 1.00 0.00 C ATOM 440 C ILE A 35 -17.793 -4.661 0.101 1.00 0.00 C ATOM 441 O ILE A 35 -17.953 -5.848 -0.181 1.00 0.00 O ATOM 442 CB ILE A 35 -15.305 -4.464 0.091 1.00 0.00 C ATOM 443 CG1 ILE A 35 -14.066 -4.091 0.907 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.344 -3.681 -1.212 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.808 -4.798 0.453 1.00 0.00 C ATOM 0 H ILE A 35 -16.373 -5.883 2.150 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.665 -3.138 1.112 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.253 -5.526 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.910 -3.014 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.247 -4.327 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.434 -3.874 -1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.209 -3.992 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.417 -2.615 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.970 -4.485 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.944 -5.876 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.602 -4.543 -0.587 1.00 0.00 H new ATOM 457 N VAL A 36 -18.642 -3.708 -0.270 1.00 0.00 N ATOM 458 CA VAL A 36 -19.837 -4.010 -1.050 1.00 0.00 C ATOM 459 C VAL A 36 -20.179 -2.865 -1.997 1.00 0.00 C ATOM 460 O VAL A 36 -20.520 -1.767 -1.561 1.00 0.00 O ATOM 461 CB VAL A 36 -21.047 -4.287 -0.138 1.00 0.00 C ATOM 462 CG1 VAL A 36 -22.291 -4.558 -0.970 1.00 0.00 C ATOM 463 CG2 VAL A 36 -20.755 -5.452 0.795 1.00 0.00 C ATOM 0 H VAL A 36 -18.525 -2.720 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.618 -4.905 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 36 -21.232 -3.402 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -23.136 -4.752 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -22.509 -3.690 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -22.121 -5.427 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -21.621 -5.634 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -20.543 -6.345 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.891 -5.213 1.416 1.00 0.00 H new ATOM 473 N GLY A 37 -20.086 -3.131 -3.296 1.00 0.00 N ATOM 474 CA GLY A 37 -20.389 -2.113 -4.285 1.00 0.00 C ATOM 475 C GLY A 37 -19.222 -1.840 -5.213 1.00 0.00 C ATOM 476 O GLY A 37 -19.366 -1.889 -6.434 1.00 0.00 O ATOM 0 H GLY A 37 -19.806 -4.033 -3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.251 -2.428 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.669 -1.190 -3.778 1.00 0.00 H new ATOM 480 N ALA A 38 -18.062 -1.549 -4.632 1.00 0.00 N ATOM 481 CA ALA A 38 -16.866 -1.266 -5.415 1.00 0.00 C ATOM 482 C ALA A 38 -15.606 -1.676 -4.659 1.00 0.00 C ATOM 483 O ALA A 38 -15.362 -1.215 -3.544 1.00 0.00 O ATOM 484 CB ALA A 38 -16.809 0.210 -5.778 1.00 0.00 C ATOM 0 H ALA A 38 -17.926 -1.503 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.915 -1.852 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.910 0.406 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.689 0.475 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.787 0.808 -4.867 1.00 0.00 H new ATOM 490 N VAL A 39 -14.809 -2.545 -5.273 1.00 0.00 N ATOM 491 CA VAL A 39 -13.574 -3.016 -4.657 1.00 0.00 C ATOM 492 C VAL A 39 -12.402 -2.907 -5.625 1.00 0.00 C ATOM 493 O VAL A 39 -12.591 -2.808 -6.838 1.00 0.00 O ATOM 494 CB VAL A 39 -13.704 -4.478 -4.188 1.00 0.00 C ATOM 495 CG1 VAL A 39 -13.335 -5.434 -5.312 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.836 -4.722 -2.963 1.00 0.00 C ATOM 0 H VAL A 39 -14.996 -2.937 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.388 -2.379 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.742 -4.663 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.433 -6.462 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -14.002 -5.274 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.306 -5.252 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.939 -5.759 -2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.794 -4.520 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.152 -4.061 -2.156 1.00 0.00 H new ATOM 506 N VAL A 40 -11.189 -2.925 -5.082 1.00 0.00 N ATOM 507 CA VAL A 40 -9.984 -2.830 -5.897 1.00 0.00 C ATOM 508 C VAL A 40 -8.954 -3.873 -5.479 1.00 0.00 C ATOM 509 O VAL A 40 -8.261 -3.710 -4.475 1.00 0.00 O ATOM 510 CB VAL A 40 -9.350 -1.430 -5.799 1.00 0.00 C ATOM 511 CG1 VAL A 40 -8.070 -1.364 -6.619 1.00 0.00 C ATOM 512 CG2 VAL A 40 -10.338 -0.365 -6.251 1.00 0.00 C ATOM 0 H VAL A 40 -11.015 -3.005 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.284 -3.014 -6.929 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.095 -1.238 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.637 -0.367 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.359 -2.101 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.296 -1.577 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.873 0.618 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.626 -0.551 -7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.224 -0.398 -5.616 1.00 0.00 H new ATOM 522 N LYS A 41 -8.857 -4.946 -6.257 1.00 0.00 N ATOM 523 CA LYS A 41 -7.910 -6.017 -5.971 1.00 0.00 C ATOM 524 C LYS A 41 -6.766 -6.016 -6.980 1.00 0.00 C ATOM 525 O LYS A 41 -6.990 -6.117 -8.186 1.00 0.00 O ATOM 526 CB LYS A 41 -8.620 -7.372 -5.990 1.00 0.00 C ATOM 527 CG LYS A 41 -7.733 -8.518 -6.445 1.00 0.00 C ATOM 528 CD LYS A 41 -8.552 -9.671 -6.999 1.00 0.00 C ATOM 529 CE LYS A 41 -7.669 -10.853 -7.373 1.00 0.00 C ATOM 530 NZ LYS A 41 -7.073 -10.693 -8.728 1.00 0.00 N ATOM 0 H LYS A 41 -9.424 -5.097 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.495 -5.845 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.996 -7.590 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.486 -7.310 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.041 -8.163 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.131 -8.868 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.288 -9.985 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.106 -9.337 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.873 -10.959 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.257 -11.770 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.404 -11.461 -9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.362 -9.778 -9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.036 -10.728 -8.657 1.00 0.00 H new ATOM 544 N ALA A 42 -5.541 -5.903 -6.478 1.00 0.00 N ATOM 545 CA ALA A 42 -4.362 -5.893 -7.336 1.00 0.00 C ATOM 546 C ALA A 42 -3.985 -7.306 -7.768 1.00 0.00 C ATOM 547 O ALA A 42 -4.290 -7.726 -8.884 1.00 0.00 O ATOM 548 CB ALA A 42 -3.195 -5.228 -6.621 1.00 0.00 C ATOM 0 H ALA A 42 -5.339 -5.817 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.600 -5.319 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.321 -5.227 -7.273 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.460 -4.201 -6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.966 -5.778 -5.708 1.00 0.00 H new ATOM 554 N ARG A 43 -3.321 -8.034 -6.877 1.00 0.00 N ATOM 555 CA ARG A 43 -2.901 -9.400 -7.167 1.00 0.00 C ATOM 556 C ARG A 43 -3.875 -10.408 -6.565 1.00 0.00 C ATOM 557 O ARG A 43 -4.743 -10.938 -7.259 1.00 0.00 O ATOM 558 CB ARG A 43 -1.492 -9.649 -6.625 1.00 0.00 C ATOM 559 CG ARG A 43 -0.388 -9.199 -7.567 1.00 0.00 C ATOM 560 CD ARG A 43 0.963 -9.172 -6.869 1.00 0.00 C ATOM 561 NE ARG A 43 2.060 -8.956 -7.809 1.00 0.00 N ATOM 562 CZ ARG A 43 3.341 -8.962 -7.457 1.00 0.00 C ATOM 563 NH1 ARG A 43 3.684 -9.172 -6.194 1.00 0.00 N ATOM 564 NH2 ARG A 43 4.282 -8.757 -8.370 1.00 0.00 N ATOM 0 H ARG A 43 -3.062 -7.701 -5.948 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.895 -9.529 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.381 -9.128 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.373 -10.713 -6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.343 -9.871 -8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.619 -8.206 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.968 -8.382 -6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.117 -10.113 -6.342 1.00 0.00 H new ATOM 0 HE ARG A 43 1.830 -8.792 -8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.964 -9.330 -5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.668 -9.176 -5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.022 -8.595 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.265 -8.762 -8.099 1.00 0.00 H new ATOM 578 N ASP A 44 -3.725 -10.668 -5.272 1.00 0.00 N ATOM 579 CA ASP A 44 -4.591 -11.613 -4.576 1.00 0.00 C ATOM 580 C ASP A 44 -5.375 -10.916 -3.467 1.00 0.00 C ATOM 581 O ASP A 44 -6.426 -11.393 -3.041 1.00 0.00 O ATOM 582 CB ASP A 44 -3.766 -12.760 -3.991 1.00 0.00 C ATOM 583 CG ASP A 44 -4.584 -13.658 -3.084 1.00 0.00 C ATOM 584 OD1 ASP A 44 -5.456 -14.386 -3.601 1.00 0.00 O ATOM 585 OD2 ASP A 44 -4.353 -13.631 -1.857 1.00 0.00 O ATOM 0 H ASP A 44 -3.012 -10.238 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.299 -12.018 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.347 -13.354 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.926 -12.350 -3.430 1.00 0.00 H new ATOM 590 N LYS A 45 -4.855 -9.785 -3.004 1.00 0.00 N ATOM 591 CA LYS A 45 -5.504 -9.021 -1.945 1.00 0.00 C ATOM 592 C LYS A 45 -6.546 -8.068 -2.522 1.00 0.00 C ATOM 593 O LYS A 45 -6.613 -7.866 -3.735 1.00 0.00 O ATOM 594 CB LYS A 45 -4.465 -8.233 -1.145 1.00 0.00 C ATOM 595 CG LYS A 45 -3.857 -9.019 0.004 1.00 0.00 C ATOM 596 CD LYS A 45 -3.398 -8.103 1.126 1.00 0.00 C ATOM 597 CE LYS A 45 -2.180 -7.289 0.717 1.00 0.00 C ATOM 598 NZ LYS A 45 -1.355 -6.897 1.894 1.00 0.00 N ATOM 0 H LYS A 45 -3.985 -9.376 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.007 -9.724 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.668 -7.913 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.931 -7.330 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.590 -9.728 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.011 -9.602 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.210 -7.431 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.160 -8.697 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.571 -7.869 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.503 -6.394 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.454 -6.494 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.867 -6.188 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.167 -7.735 2.481 1.00 0.00 H new ATOM 612 N TYR A 46 -7.356 -7.484 -1.646 1.00 0.00 N ATOM 613 CA TYR A 46 -8.396 -6.553 -2.070 1.00 0.00 C ATOM 614 C TYR A 46 -8.337 -5.264 -1.256 1.00 0.00 C ATOM 615 O TYR A 46 -7.982 -5.277 -0.077 1.00 0.00 O ATOM 616 CB TYR A 46 -9.776 -7.197 -1.926 1.00 0.00 C ATOM 617 CG TYR A 46 -9.942 -8.460 -2.740 1.00 0.00 C ATOM 618 CD1 TYR A 46 -9.113 -9.556 -2.535 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.927 -8.558 -3.715 1.00 0.00 C ATOM 620 CE1 TYR A 46 -9.260 -10.712 -3.277 1.00 0.00 C ATOM 621 CE2 TYR A 46 -11.083 -9.710 -4.460 1.00 0.00 C ATOM 622 CZ TYR A 46 -10.247 -10.785 -4.238 1.00 0.00 C ATOM 623 OH TYR A 46 -10.398 -11.934 -4.979 1.00 0.00 O ATOM 0 H TYR A 46 -7.313 -7.638 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.224 -6.308 -3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.953 -7.426 -0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.537 -6.477 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.340 -9.503 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.582 -7.718 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.606 -11.554 -3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.855 -9.769 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.139 -11.821 -5.611 1.00 0.00 H new ATOM 633 N ARG A 47 -8.687 -4.152 -1.894 1.00 0.00 N ATOM 634 CA ARG A 47 -8.673 -2.854 -1.231 1.00 0.00 C ATOM 635 C ARG A 47 -9.778 -1.954 -1.776 1.00 0.00 C ATOM 636 O ARG A 47 -10.099 -1.996 -2.964 1.00 0.00 O ATOM 637 CB ARG A 47 -7.313 -2.178 -1.413 1.00 0.00 C ATOM 638 CG ARG A 47 -6.160 -2.956 -0.801 1.00 0.00 C ATOM 639 CD ARG A 47 -5.922 -2.553 0.646 1.00 0.00 C ATOM 640 NE ARG A 47 -4.827 -3.306 1.251 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.563 -2.896 1.247 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.237 -1.747 0.673 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.623 -3.638 1.819 1.00 0.00 N ATOM 0 H ARG A 47 -8.984 -4.124 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.850 -3.015 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.124 -2.042 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.348 -1.184 -0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.372 -4.024 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.254 -2.783 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.699 -1.487 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.834 -2.713 1.222 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.044 -4.195 1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.957 -1.175 0.233 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.266 -1.435 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.871 -4.523 2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.653 -3.323 1.816 1.00 0.00 H new ATOM 657 N HIS A 48 -10.357 -1.139 -0.900 1.00 0.00 N ATOM 658 CA HIS A 48 -11.426 -0.228 -1.293 1.00 0.00 C ATOM 659 C HIS A 48 -10.973 0.683 -2.430 1.00 0.00 C ATOM 660 O HIS A 48 -9.781 0.838 -2.696 1.00 0.00 O ATOM 661 CB HIS A 48 -11.874 0.613 -0.098 1.00 0.00 C ATOM 662 CG HIS A 48 -12.995 -0.003 0.682 1.00 0.00 C ATOM 663 ND1 HIS A 48 -13.040 -0.007 2.060 1.00 0.00 N ATOM 664 CD2 HIS A 48 -14.118 -0.635 0.268 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.141 -0.617 2.460 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.813 -1.008 1.392 1.00 0.00 N ATOM 0 H HIS A 48 -10.104 -1.091 0.087 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.268 -0.825 -1.643 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.023 0.769 0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.186 1.596 -0.452 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.413 -0.813 -0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.441 -0.770 3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.703 -1.506 1.401 1.00 0.00 H new ATOM 674 N PRO A 49 -11.945 1.300 -3.119 1.00 0.00 N ATOM 675 CA PRO A 49 -11.669 2.206 -4.238 1.00 0.00 C ATOM 676 C PRO A 49 -11.028 3.512 -3.782 1.00 0.00 C ATOM 677 O PRO A 49 -10.546 4.295 -4.600 1.00 0.00 O ATOM 678 CB PRO A 49 -13.056 2.469 -4.830 1.00 0.00 C ATOM 679 CG PRO A 49 -14.000 2.245 -3.700 1.00 0.00 C ATOM 680 CD PRO A 49 -13.387 1.161 -2.857 1.00 0.00 C ATOM 0 HA PRO A 49 -10.962 1.775 -4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.135 3.485 -5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.266 1.795 -5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.139 3.158 -3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.983 1.946 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.618 1.295 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.754 0.175 -3.141 1.00 0.00 H new ATOM 688 N GLU A 50 -11.026 3.740 -2.473 1.00 0.00 N ATOM 689 CA GLU A 50 -10.444 4.952 -1.910 1.00 0.00 C ATOM 690 C GLU A 50 -9.274 4.618 -0.989 1.00 0.00 C ATOM 691 O GLU A 50 -8.362 5.424 -0.807 1.00 0.00 O ATOM 692 CB GLU A 50 -11.503 5.744 -1.140 1.00 0.00 C ATOM 693 CG GLU A 50 -12.115 4.975 0.018 1.00 0.00 C ATOM 694 CD GLU A 50 -13.417 5.585 0.501 1.00 0.00 C ATOM 695 OE1 GLU A 50 -14.322 5.791 -0.334 1.00 0.00 O ATOM 696 OE2 GLU A 50 -13.530 5.856 1.715 1.00 0.00 O ATOM 0 H GLU A 50 -11.421 3.101 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.073 5.561 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.053 6.661 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.295 6.040 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.293 3.944 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.405 4.943 0.844 1.00 0.00 H new ATOM 703 N CYS A 51 -9.309 3.423 -0.409 1.00 0.00 N ATOM 704 CA CYS A 51 -8.254 2.979 0.495 1.00 0.00 C ATOM 705 C CYS A 51 -6.969 2.685 -0.273 1.00 0.00 C ATOM 706 O CYS A 51 -5.867 2.890 0.238 1.00 0.00 O ATOM 707 CB CYS A 51 -8.701 1.732 1.261 1.00 0.00 C ATOM 708 SG CYS A 51 -9.978 2.051 2.520 1.00 0.00 S ATOM 0 H CYS A 51 -10.057 2.744 -0.549 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.056 3.782 1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.082 0.999 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.833 1.285 1.745 1.00 0.00 H new ATOM 713 N PHE A 52 -7.117 2.204 -1.502 1.00 0.00 N ATOM 714 CA PHE A 52 -5.969 1.881 -2.341 1.00 0.00 C ATOM 715 C PHE A 52 -5.005 3.061 -2.422 1.00 0.00 C ATOM 716 O PHE A 52 -5.245 4.023 -3.151 1.00 0.00 O ATOM 717 CB PHE A 52 -6.431 1.487 -3.746 1.00 0.00 C ATOM 718 CG PHE A 52 -5.579 0.427 -4.382 1.00 0.00 C ATOM 719 CD1 PHE A 52 -5.241 -0.721 -3.683 1.00 0.00 C ATOM 720 CD2 PHE A 52 -5.115 0.577 -5.679 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.457 -1.698 -4.266 1.00 0.00 C ATOM 722 CE2 PHE A 52 -4.331 -0.397 -6.267 1.00 0.00 C ATOM 723 CZ PHE A 52 -4.002 -1.537 -5.560 1.00 0.00 C ATOM 0 H PHE A 52 -8.021 2.029 -1.940 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.446 1.038 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.460 1.132 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.430 2.372 -4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.594 -0.853 -2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.369 1.466 -6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.200 -2.587 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.976 -0.267 -7.279 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.391 -2.300 -6.018 1.00 0.00 H new ATOM 733 N VAL A 53 -3.914 2.979 -1.667 1.00 0.00 N ATOM 734 CA VAL A 53 -2.913 4.039 -1.653 1.00 0.00 C ATOM 735 C VAL A 53 -1.581 3.530 -1.115 1.00 0.00 C ATOM 736 O VAL A 53 -1.478 2.392 -0.656 1.00 0.00 O ATOM 737 CB VAL A 53 -3.375 5.236 -0.799 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.715 5.758 -1.293 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.454 4.844 0.668 1.00 0.00 C ATOM 0 H VAL A 53 -3.701 2.190 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.784 4.366 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.642 6.036 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.025 6.603 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.620 6.079 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.461 4.966 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.782 5.701 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.166 4.027 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.471 4.522 1.012 1.00 0.00 H new ATOM 749 N CYS A 54 -0.561 4.380 -1.176 1.00 0.00 N ATOM 750 CA CYS A 54 0.767 4.017 -0.695 1.00 0.00 C ATOM 751 C CYS A 54 0.768 3.842 0.821 1.00 0.00 C ATOM 752 O CYS A 54 -0.196 4.199 1.497 1.00 0.00 O ATOM 753 CB CYS A 54 1.787 5.084 -1.098 1.00 0.00 C ATOM 754 SG CYS A 54 3.521 4.592 -0.834 1.00 0.00 S ATOM 0 H CYS A 54 -0.629 5.325 -1.554 1.00 0.00 H new ATOM 0 HA CYS A 54 1.045 3.067 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.646 5.327 -2.151 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.588 5.994 -0.531 1.00 0.00 H new ATOM 759 N ALA A 55 1.857 3.291 1.346 1.00 0.00 N ATOM 760 CA ALA A 55 1.985 3.071 2.782 1.00 0.00 C ATOM 761 C ALA A 55 2.941 4.080 3.408 1.00 0.00 C ATOM 762 O ALA A 55 3.019 4.200 4.631 1.00 0.00 O ATOM 763 CB ALA A 55 2.457 1.652 3.058 1.00 0.00 C ATOM 0 H ALA A 55 2.663 2.989 0.799 1.00 0.00 H new ATOM 0 HA ALA A 55 1.004 3.210 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.548 1.502 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.735 0.943 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.426 1.493 2.586 1.00 0.00 H new ATOM 769 N ASP A 56 3.668 4.804 2.563 1.00 0.00 N ATOM 770 CA ASP A 56 4.619 5.803 3.035 1.00 0.00 C ATOM 771 C ASP A 56 4.060 7.211 2.860 1.00 0.00 C ATOM 772 O ASP A 56 4.217 8.066 3.732 1.00 0.00 O ATOM 773 CB ASP A 56 5.945 5.671 2.283 1.00 0.00 C ATOM 774 CG ASP A 56 7.116 6.223 3.072 1.00 0.00 C ATOM 775 OD1 ASP A 56 7.080 6.145 4.318 1.00 0.00 O ATOM 776 OD2 ASP A 56 8.067 6.733 2.444 1.00 0.00 O ATOM 0 H ASP A 56 3.616 4.717 1.548 1.00 0.00 H new ATOM 0 HA ASP A 56 4.793 5.630 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.127 4.621 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.873 6.196 1.330 1.00 0.00 H new ATOM 781 N CYS A 57 3.406 7.446 1.727 1.00 0.00 N ATOM 782 CA CYS A 57 2.824 8.751 1.436 1.00 0.00 C ATOM 783 C CYS A 57 1.304 8.658 1.336 1.00 0.00 C ATOM 784 O CYS A 57 0.604 9.667 1.406 1.00 0.00 O ATOM 785 CB CYS A 57 3.399 9.310 0.134 1.00 0.00 C ATOM 786 SG CYS A 57 3.217 8.198 -1.298 1.00 0.00 S ATOM 0 H CYS A 57 3.266 6.749 0.995 1.00 0.00 H new ATOM 0 HA CYS A 57 3.076 9.425 2.255 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.908 10.257 -0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.457 9.526 0.280 1.00 0.00 H new ATOM 791 N ASN A 58 0.801 7.439 1.170 1.00 0.00 N ATOM 792 CA ASN A 58 -0.636 7.213 1.059 1.00 0.00 C ATOM 793 C ASN A 58 -1.193 7.867 -0.201 1.00 0.00 C ATOM 794 O ASN A 58 -2.237 8.521 -0.166 1.00 0.00 O ATOM 795 CB ASN A 58 -1.356 7.762 2.293 1.00 0.00 C ATOM 796 CG ASN A 58 -2.648 7.023 2.584 1.00 0.00 C ATOM 797 OD1 ASN A 58 -2.635 5.912 3.113 1.00 0.00 O ATOM 798 ND2 ASN A 58 -3.772 7.640 2.238 1.00 0.00 N ATOM 0 H ASN A 58 1.367 6.593 1.109 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.806 6.138 0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.696 7.689 3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.571 8.820 2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.673 7.193 2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.735 8.561 1.802 1.00 0.00 H new ATOM 805 N LEU A 59 -0.492 7.686 -1.315 1.00 0.00 N ATOM 806 CA LEU A 59 -0.917 8.258 -2.588 1.00 0.00 C ATOM 807 C LEU A 59 -1.769 7.266 -3.373 1.00 0.00 C ATOM 808 O LEU A 59 -1.533 6.059 -3.329 1.00 0.00 O ATOM 809 CB LEU A 59 0.302 8.669 -3.417 1.00 0.00 C ATOM 810 CG LEU A 59 0.006 9.315 -4.771 1.00 0.00 C ATOM 811 CD1 LEU A 59 -0.547 10.719 -4.583 1.00 0.00 C ATOM 812 CD2 LEU A 59 1.259 9.344 -5.633 1.00 0.00 C ATOM 0 H LEU A 59 0.373 7.148 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.521 9.141 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.899 9.365 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.917 7.785 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.748 8.715 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.752 11.163 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.470 10.672 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.183 11.330 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.030 9.807 -6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.035 9.920 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.612 8.326 -5.797 1.00 0.00 H new ATOM 824 N ASN A 60 -2.759 7.784 -4.093 1.00 0.00 N ATOM 825 CA ASN A 60 -3.645 6.943 -4.890 1.00 0.00 C ATOM 826 C ASN A 60 -2.847 6.074 -5.856 1.00 0.00 C ATOM 827 O ASN A 60 -2.127 6.582 -6.717 1.00 0.00 O ATOM 828 CB ASN A 60 -4.640 7.808 -5.667 1.00 0.00 C ATOM 829 CG ASN A 60 -6.009 7.164 -5.770 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.479 6.851 -6.864 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.655 6.962 -4.628 1.00 0.00 N ATOM 0 H ASN A 60 -2.968 8.781 -4.141 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.194 6.290 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.734 8.778 -5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.252 7.992 -6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.580 6.531 -4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.227 7.237 -3.744 1.00 0.00 H new ATOM 838 N LEU A 61 -2.979 4.760 -5.708 1.00 0.00 N ATOM 839 CA LEU A 61 -2.271 3.818 -6.568 1.00 0.00 C ATOM 840 C LEU A 61 -3.192 3.276 -7.656 1.00 0.00 C ATOM 841 O LEU A 61 -2.739 2.888 -8.733 1.00 0.00 O ATOM 842 CB LEU A 61 -1.708 2.664 -5.738 1.00 0.00 C ATOM 843 CG LEU A 61 -0.795 3.056 -4.576 1.00 0.00 C ATOM 844 CD1 LEU A 61 -0.455 1.838 -3.730 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.473 3.718 -5.093 1.00 0.00 C ATOM 0 H LEU A 61 -3.570 4.323 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.448 4.348 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.543 2.088 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.153 2.002 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.325 3.773 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.196 2.136 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.372 1.406 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.055 1.098 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.110 3.990 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.006 3.024 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.212 4.615 -5.655 1.00 0.00 H new ATOM 857 N LYS A 62 -4.489 3.253 -7.369 1.00 0.00 N ATOM 858 CA LYS A 62 -5.476 2.761 -8.323 1.00 0.00 C ATOM 859 C LYS A 62 -5.061 3.089 -9.753 1.00 0.00 C ATOM 860 O LYS A 62 -4.765 2.193 -10.543 1.00 0.00 O ATOM 861 CB LYS A 62 -6.849 3.370 -8.027 1.00 0.00 C ATOM 862 CG LYS A 62 -7.853 3.181 -9.151 1.00 0.00 C ATOM 863 CD LYS A 62 -8.501 1.808 -9.095 1.00 0.00 C ATOM 864 CE LYS A 62 -7.716 0.788 -9.905 1.00 0.00 C ATOM 865 NZ LYS A 62 -8.191 0.714 -11.315 1.00 0.00 N ATOM 0 H LYS A 62 -4.882 3.570 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.535 1.678 -8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.247 2.922 -7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.730 4.436 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.622 3.950 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.354 3.310 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.567 1.478 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.520 1.870 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.658 1.050 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.807 -0.193 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.631 0.008 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.194 0.439 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.080 1.644 -11.768 1.00 0.00 H new ATOM 879 N GLN A 63 -5.040 4.378 -10.078 1.00 0.00 N ATOM 880 CA GLN A 63 -4.660 4.822 -11.413 1.00 0.00 C ATOM 881 C GLN A 63 -3.159 4.660 -11.635 1.00 0.00 C ATOM 882 O GLN A 63 -2.724 4.179 -12.681 1.00 0.00 O ATOM 883 CB GLN A 63 -5.062 6.283 -11.621 1.00 0.00 C ATOM 884 CG GLN A 63 -4.681 7.190 -10.463 1.00 0.00 C ATOM 885 CD GLN A 63 -4.954 8.653 -10.752 1.00 0.00 C ATOM 886 OE1 GLN A 63 -4.033 9.429 -11.010 1.00 0.00 O ATOM 887 NE2 GLN A 63 -6.224 9.038 -10.711 1.00 0.00 N ATOM 0 H GLN A 63 -5.282 5.132 -9.435 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.185 4.200 -12.138 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.592 6.654 -12.532 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.140 6.336 -11.774 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.236 6.890 -9.574 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.623 7.060 -10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.955 8.361 -10.493 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.468 10.011 -10.898 1.00 0.00 H new ATOM 896 N LYS A 64 -2.373 5.064 -10.643 1.00 0.00 N ATOM 897 CA LYS A 64 -0.921 4.962 -10.727 1.00 0.00 C ATOM 898 C LYS A 64 -0.475 3.504 -10.707 1.00 0.00 C ATOM 899 O LYS A 64 -1.297 2.595 -10.599 1.00 0.00 O ATOM 900 CB LYS A 64 -0.268 5.723 -9.571 1.00 0.00 C ATOM 901 CG LYS A 64 -0.462 7.227 -9.646 1.00 0.00 C ATOM 902 CD LYS A 64 0.418 7.954 -8.642 1.00 0.00 C ATOM 903 CE LYS A 64 0.591 9.419 -9.011 1.00 0.00 C ATOM 904 NZ LYS A 64 -0.667 10.192 -8.819 1.00 0.00 N ATOM 0 H LYS A 64 -2.717 5.465 -9.771 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.605 5.406 -11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.679 5.359 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.800 5.503 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.231 7.575 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.508 7.470 -9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.023 7.878 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.394 7.472 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.382 9.856 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.910 9.496 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.507 11.186 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.416 9.791 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.958 10.140 -7.822 1.00 0.00 H new ATOM 918 N GLY A 65 0.833 3.288 -10.809 1.00 0.00 N ATOM 919 CA GLY A 65 1.365 1.938 -10.799 1.00 0.00 C ATOM 920 C GLY A 65 1.561 1.402 -9.394 1.00 0.00 C ATOM 921 O GLY A 65 2.464 1.835 -8.678 1.00 0.00 O ATOM 0 H GLY A 65 1.534 4.024 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.688 1.280 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.319 1.923 -11.327 1.00 0.00 H new ATOM 925 N TYR A 66 0.712 0.460 -8.999 1.00 0.00 N ATOM 926 CA TYR A 66 0.793 -0.132 -7.669 1.00 0.00 C ATOM 927 C TYR A 66 1.994 -1.067 -7.561 1.00 0.00 C ATOM 928 O TYR A 66 2.504 -1.560 -8.567 1.00 0.00 O ATOM 929 CB TYR A 66 -0.492 -0.896 -7.348 1.00 0.00 C ATOM 930 CG TYR A 66 -0.544 -2.278 -7.961 1.00 0.00 C ATOM 931 CD1 TYR A 66 -0.039 -3.380 -7.283 1.00 0.00 C ATOM 932 CD2 TYR A 66 -1.100 -2.480 -9.219 1.00 0.00 C ATOM 933 CE1 TYR A 66 -0.084 -4.643 -7.840 1.00 0.00 C ATOM 934 CE2 TYR A 66 -1.150 -3.740 -9.783 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.641 -4.818 -9.090 1.00 0.00 C ATOM 936 OH TYR A 66 -0.689 -6.076 -9.647 1.00 0.00 O ATOM 0 H TYR A 66 -0.040 0.090 -9.581 1.00 0.00 H new ATOM 0 HA TYR A 66 0.917 0.675 -6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.592 -0.984 -6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.346 -0.318 -7.702 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.396 -3.247 -6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.500 -1.638 -9.764 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.315 -5.489 -7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.585 -3.880 -10.761 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.113 -6.027 -10.529 1.00 0.00 H new ATOM 946 N PHE A 67 2.441 -1.306 -6.332 1.00 0.00 N ATOM 947 CA PHE A 67 3.582 -2.181 -6.091 1.00 0.00 C ATOM 948 C PHE A 67 3.326 -3.092 -4.894 1.00 0.00 C ATOM 949 O PHE A 67 2.314 -2.960 -4.204 1.00 0.00 O ATOM 950 CB PHE A 67 4.846 -1.352 -5.854 1.00 0.00 C ATOM 951 CG PHE A 67 5.565 -0.980 -7.119 1.00 0.00 C ATOM 952 CD1 PHE A 67 4.954 -0.175 -8.067 1.00 0.00 C ATOM 953 CD2 PHE A 67 6.851 -1.435 -7.361 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.612 0.170 -9.233 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.515 -1.093 -8.524 1.00 0.00 C ATOM 956 CZ PHE A 67 6.894 -0.290 -9.461 1.00 0.00 C ATOM 0 H PHE A 67 2.030 -0.906 -5.488 1.00 0.00 H new ATOM 0 HA PHE A 67 3.724 -2.803 -6.975 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.579 -0.442 -5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.524 -1.914 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.952 0.187 -7.893 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.340 -2.064 -6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.124 0.798 -9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.518 -1.453 -8.700 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.411 -0.022 -10.371 1.00 0.00 H new ATOM 966 N PHE A 68 4.249 -4.017 -4.652 1.00 0.00 N ATOM 967 CA PHE A 68 4.123 -4.951 -3.540 1.00 0.00 C ATOM 968 C PHE A 68 5.484 -5.235 -2.912 1.00 0.00 C ATOM 969 O PHE A 68 6.278 -6.009 -3.446 1.00 0.00 O ATOM 970 CB PHE A 68 3.485 -6.258 -4.014 1.00 0.00 C ATOM 971 CG PHE A 68 1.988 -6.274 -3.890 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.383 -6.342 -2.646 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.186 -6.220 -5.019 1.00 0.00 C ATOM 974 CE1 PHE A 68 0.006 -6.356 -2.528 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.192 -6.233 -4.908 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.783 -6.303 -3.661 1.00 0.00 C ATOM 0 H PHE A 68 5.093 -4.140 -5.212 1.00 0.00 H new ATOM 0 HA PHE A 68 3.482 -4.495 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.757 -6.429 -5.056 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.898 -7.085 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.995 -6.385 -1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.643 -6.167 -5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.453 -6.408 -1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.806 -6.188 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.859 -6.316 -3.572 1.00 0.00 H new ATOM 986 N VAL A 69 5.747 -4.602 -1.773 1.00 0.00 N ATOM 987 CA VAL A 69 7.012 -4.786 -1.070 1.00 0.00 C ATOM 988 C VAL A 69 6.781 -5.246 0.365 1.00 0.00 C ATOM 989 O VAL A 69 6.288 -4.486 1.198 1.00 0.00 O ATOM 990 CB VAL A 69 7.839 -3.487 -1.055 1.00 0.00 C ATOM 991 CG1 VAL A 69 9.147 -3.696 -0.305 1.00 0.00 C ATOM 992 CG2 VAL A 69 8.100 -3.004 -2.474 1.00 0.00 C ATOM 0 H VAL A 69 5.101 -3.957 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 69 7.566 -5.554 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 69 7.267 -2.719 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.718 -2.768 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.934 -3.992 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.726 -4.478 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.686 -2.085 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.651 -3.768 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.150 -2.813 -2.974 1.00 0.00 H new ATOM 1002 N GLU A 70 7.141 -6.494 0.646 1.00 0.00 N ATOM 1003 CA GLU A 70 6.973 -7.055 1.981 1.00 0.00 C ATOM 1004 C GLU A 70 5.498 -7.103 2.369 1.00 0.00 C ATOM 1005 O GLU A 70 5.121 -6.702 3.469 1.00 0.00 O ATOM 1006 CB GLU A 70 7.755 -6.232 3.006 1.00 0.00 C ATOM 1007 CG GLU A 70 9.263 -6.366 2.872 1.00 0.00 C ATOM 1008 CD GLU A 70 9.822 -7.516 3.687 1.00 0.00 C ATOM 1009 OE1 GLU A 70 9.238 -7.831 4.745 1.00 0.00 O ATOM 1010 OE2 GLU A 70 10.842 -8.100 3.267 1.00 0.00 O ATOM 0 H GLU A 70 7.551 -7.136 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 70 7.362 -8.073 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.481 -5.182 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.459 -6.540 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.519 -6.511 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.736 -5.437 3.190 1.00 0.00 H new ATOM 1017 N GLY A 71 4.667 -7.596 1.455 1.00 0.00 N ATOM 1018 CA GLY A 71 3.243 -7.687 1.720 1.00 0.00 C ATOM 1019 C GLY A 71 2.600 -6.327 1.906 1.00 0.00 C ATOM 1020 O GLY A 71 1.511 -6.220 2.469 1.00 0.00 O ATOM 0 H GLY A 71 4.955 -7.934 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.755 -8.206 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.081 -8.288 2.615 1.00 0.00 H new ATOM 1024 N GLU A 72 3.276 -5.285 1.433 1.00 0.00 N ATOM 1025 CA GLU A 72 2.765 -3.925 1.552 1.00 0.00 C ATOM 1026 C GLU A 72 2.757 -3.225 0.197 1.00 0.00 C ATOM 1027 O GLU A 72 3.555 -3.546 -0.685 1.00 0.00 O ATOM 1028 CB GLU A 72 3.608 -3.124 2.547 1.00 0.00 C ATOM 1029 CG GLU A 72 3.078 -1.724 2.807 1.00 0.00 C ATOM 1030 CD GLU A 72 2.032 -1.691 3.905 1.00 0.00 C ATOM 1031 OE1 GLU A 72 2.418 -1.621 5.090 1.00 0.00 O ATOM 1032 OE2 GLU A 72 0.827 -1.736 3.578 1.00 0.00 O ATOM 0 H GLU A 72 4.179 -5.357 0.964 1.00 0.00 H new ATOM 0 HA GLU A 72 1.740 -3.981 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.654 -3.667 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.628 -3.053 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.907 -1.071 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.648 -1.326 1.888 1.00 0.00 H new ATOM 1039 N LEU A 73 1.851 -2.267 0.037 1.00 0.00 N ATOM 1040 CA LEU A 73 1.738 -1.520 -1.211 1.00 0.00 C ATOM 1041 C LEU A 73 2.575 -0.247 -1.162 1.00 0.00 C ATOM 1042 O LEU A 73 2.853 0.284 -0.087 1.00 0.00 O ATOM 1043 CB LEU A 73 0.274 -1.172 -1.489 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.493 -2.153 -2.376 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -1.980 -2.107 -2.062 1.00 0.00 C ATOM 1046 CD2 LEU A 73 -0.247 -1.848 -3.847 1.00 0.00 C ATOM 0 H LEU A 73 1.183 -1.989 0.756 1.00 0.00 H new ATOM 0 HA LEU A 73 2.115 -2.149 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.247 -1.092 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.238 -0.187 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.130 -3.160 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.509 -2.812 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.140 -2.376 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.358 -1.100 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.801 -2.556 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.581 -0.835 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.818 -1.934 -4.063 1.00 0.00 H new ATOM 1058 N TYR A 74 2.973 0.239 -2.333 1.00 0.00 N ATOM 1059 CA TYR A 74 3.779 1.451 -2.423 1.00 0.00 C ATOM 1060 C TYR A 74 3.657 2.084 -3.806 1.00 0.00 C ATOM 1061 O TYR A 74 3.311 1.415 -4.780 1.00 0.00 O ATOM 1062 CB TYR A 74 5.245 1.137 -2.122 1.00 0.00 C ATOM 1063 CG TYR A 74 5.519 0.867 -0.659 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.663 1.912 0.245 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.631 -0.433 -0.182 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.914 1.670 1.582 1.00 0.00 C ATOM 1067 CE2 TYR A 74 5.880 -0.684 1.154 1.00 0.00 C ATOM 1068 CZ TYR A 74 6.021 0.370 2.031 1.00 0.00 C ATOM 1069 OH TYR A 74 6.269 0.125 3.363 1.00 0.00 O ATOM 0 H TYR A 74 2.751 -0.188 -3.232 1.00 0.00 H new ATOM 0 HA TYR A 74 3.407 2.160 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.549 0.268 -2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.862 1.974 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.577 2.931 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.522 -1.261 -0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.026 2.494 2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.964 -1.701 1.509 1.00 0.00 H new ATOM 0 HH TYR A 74 6.080 -0.815 3.563 1.00 0.00 H new ATOM 1079 N CYS A 75 3.944 3.379 -3.883 1.00 0.00 N ATOM 1080 CA CYS A 75 3.867 4.106 -5.145 1.00 0.00 C ATOM 1081 C CYS A 75 5.124 3.880 -5.980 1.00 0.00 C ATOM 1082 O CYS A 75 6.179 3.532 -5.450 1.00 0.00 O ATOM 1083 CB CYS A 75 3.677 5.602 -4.885 1.00 0.00 C ATOM 1084 SG CYS A 75 5.008 6.361 -3.900 1.00 0.00 S ATOM 0 H CYS A 75 4.232 3.947 -3.086 1.00 0.00 H new ATOM 0 HA CYS A 75 3.009 3.729 -5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.607 6.120 -5.842 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.728 5.753 -4.371 1.00 0.00 H new ATOM 1089 N GLU A 76 5.002 4.080 -7.288 1.00 0.00 N ATOM 1090 CA GLU A 76 6.129 3.897 -8.197 1.00 0.00 C ATOM 1091 C GLU A 76 7.393 4.539 -7.632 1.00 0.00 C ATOM 1092 O GLU A 76 8.493 4.003 -7.775 1.00 0.00 O ATOM 1093 CB GLU A 76 5.809 4.496 -9.568 1.00 0.00 C ATOM 1094 CG GLU A 76 6.589 3.861 -10.706 1.00 0.00 C ATOM 1095 CD GLU A 76 6.676 4.757 -11.926 1.00 0.00 C ATOM 1096 OE1 GLU A 76 6.545 5.989 -11.769 1.00 0.00 O ATOM 1097 OE2 GLU A 76 6.875 4.226 -13.039 1.00 0.00 O ATOM 0 H GLU A 76 4.136 4.368 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 76 6.304 2.827 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.742 4.385 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.020 5.565 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.596 3.623 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.116 2.919 -10.985 1.00 0.00 H new ATOM 1104 N THR A 77 7.228 5.691 -6.989 1.00 0.00 N ATOM 1105 CA THR A 77 8.355 6.407 -6.404 1.00 0.00 C ATOM 1106 C THR A 77 8.993 5.602 -5.278 1.00 0.00 C ATOM 1107 O THR A 77 10.113 5.107 -5.413 1.00 0.00 O ATOM 1108 CB THR A 77 7.924 7.781 -5.856 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.284 8.541 -6.888 1.00 0.00 O ATOM 1110 CG2 THR A 77 9.122 8.550 -5.321 1.00 0.00 C ATOM 0 H THR A 77 6.325 6.148 -6.860 1.00 0.00 H new ATOM 0 HA THR A 77 9.084 6.554 -7.201 1.00 0.00 H new ATOM 0 HB THR A 77 7.223 7.618 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.011 9.412 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.793 9.517 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.589 7.982 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.844 8.703 -6.123 1.00 0.00 H new ATOM 1118 N HIS A 78 8.275 5.474 -4.167 1.00 0.00 N ATOM 1119 CA HIS A 78 8.772 4.727 -3.017 1.00 0.00 C ATOM 1120 C HIS A 78 9.104 3.289 -3.406 1.00 0.00 C ATOM 1121 O HIS A 78 10.228 2.827 -3.212 1.00 0.00 O ATOM 1122 CB HIS A 78 7.739 4.737 -1.890 1.00 0.00 C ATOM 1123 CG HIS A 78 7.721 6.013 -1.106 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.559 6.686 -0.790 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.731 6.738 -0.571 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.856 7.770 -0.097 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.167 7.825 0.050 1.00 0.00 N ATOM 0 H HIS A 78 7.347 5.878 -4.039 1.00 0.00 H new ATOM 0 HA HIS A 78 9.684 5.211 -2.667 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.749 4.566 -2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.943 3.907 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.784 6.505 -0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.147 8.490 0.285 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.678 8.556 0.545 1.00 0.00 H new ATOM 1135 N ALA A 79 8.118 2.587 -3.955 1.00 0.00 N ATOM 1136 CA ALA A 79 8.306 1.203 -4.371 1.00 0.00 C ATOM 1137 C ALA A 79 9.634 1.025 -5.100 1.00 0.00 C ATOM 1138 O ALA A 79 10.439 0.164 -4.743 1.00 0.00 O ATOM 1139 CB ALA A 79 7.152 0.757 -5.257 1.00 0.00 C ATOM 0 H ALA A 79 7.181 2.954 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 79 8.325 0.580 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.305 -0.279 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.216 0.838 -4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.107 1.391 -6.142 1.00 0.00 H new ATOM 1145 N ARG A 80 9.856 1.842 -6.124 1.00 0.00 N ATOM 1146 CA ARG A 80 11.086 1.773 -6.904 1.00 0.00 C ATOM 1147 C ARG A 80 12.311 1.848 -5.997 1.00 0.00 C ATOM 1148 O ARG A 80 13.288 1.128 -6.196 1.00 0.00 O ATOM 1149 CB ARG A 80 11.128 2.907 -7.931 1.00 0.00 C ATOM 1150 CG ARG A 80 10.468 2.555 -9.253 1.00 0.00 C ATOM 1151 CD ARG A 80 10.779 3.589 -10.324 1.00 0.00 C ATOM 1152 NE ARG A 80 12.100 3.386 -10.913 1.00 0.00 N ATOM 1153 CZ ARG A 80 12.420 3.761 -12.147 1.00 0.00 C ATOM 1154 NH1 ARG A 80 11.519 4.354 -12.918 1.00 0.00 N ATOM 1155 NH2 ARG A 80 13.643 3.541 -12.612 1.00 0.00 N ATOM 0 H ARG A 80 9.200 2.560 -6.433 1.00 0.00 H new ATOM 0 HA ARG A 80 11.101 0.817 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.636 3.784 -7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.167 3.181 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.811 1.574 -9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.389 2.486 -9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.022 3.540 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.725 4.588 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 80 12.816 2.932 -10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.577 4.523 -12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.767 4.641 -13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.338 3.084 -12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.888 3.829 -13.559 1.00 0.00 H new ATOM 1169 N ALA A 81 12.249 2.725 -5.000 1.00 0.00 N ATOM 1170 CA ALA A 81 13.352 2.894 -4.061 1.00 0.00 C ATOM 1171 C ALA A 81 13.570 1.629 -3.238 1.00 0.00 C ATOM 1172 O ALA A 81 14.703 1.277 -2.912 1.00 0.00 O ATOM 1173 CB ALA A 81 13.090 4.082 -3.148 1.00 0.00 C ATOM 0 H ALA A 81 11.447 3.329 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 81 14.260 3.084 -4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.921 4.196 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.991 4.987 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.169 3.915 -2.589 1.00 0.00 H new ATOM 1179 N ARG A 82 12.477 0.950 -2.905 1.00 0.00 N ATOM 1180 CA ARG A 82 12.549 -0.275 -2.118 1.00 0.00 C ATOM 1181 C ARG A 82 13.012 -1.448 -2.977 1.00 0.00 C ATOM 1182 O ARG A 82 14.080 -2.018 -2.747 1.00 0.00 O ATOM 1183 CB ARG A 82 11.186 -0.590 -1.499 1.00 0.00 C ATOM 1184 CG ARG A 82 10.609 0.554 -0.682 1.00 0.00 C ATOM 1185 CD ARG A 82 9.094 0.462 -0.586 1.00 0.00 C ATOM 1186 NE ARG A 82 8.667 -0.437 0.482 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.852 -0.185 1.773 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.453 0.934 2.154 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.435 -1.052 2.687 1.00 0.00 N ATOM 0 H ARG A 82 11.531 1.228 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 82 13.276 -0.122 -1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.486 -0.847 -2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.280 -1.469 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.039 0.541 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.889 1.504 -1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.681 1.455 -0.410 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.691 0.113 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 82 8.201 -1.306 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.774 1.604 1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.594 1.125 3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.972 -1.914 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.578 -0.857 3.678 1.00 0.00 H new ATOM 1203 N THR A 83 12.202 -1.804 -3.970 1.00 0.00 N ATOM 1204 CA THR A 83 12.528 -2.909 -4.863 1.00 0.00 C ATOM 1205 C THR A 83 13.503 -2.469 -5.948 1.00 0.00 C ATOM 1206 O THR A 83 13.647 -3.135 -6.973 1.00 0.00 O ATOM 1207 CB THR A 83 11.263 -3.485 -5.527 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.536 -4.789 -6.051 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.777 -2.575 -6.645 1.00 0.00 C ATOM 0 H THR A 83 11.316 -1.343 -4.176 1.00 0.00 H new ATOM 0 HA THR A 83 12.994 -3.683 -4.253 1.00 0.00 H new ATOM 0 HB THR A 83 10.481 -3.554 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.727 -5.149 -6.470 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.883 -3.002 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.543 -1.591 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.557 -2.478 -7.400 1.00 0.00 H new ATOM 1217 N SER A 84 14.172 -1.344 -5.717 1.00 0.00 N ATOM 1218 CA SER A 84 15.132 -0.814 -6.677 1.00 0.00 C ATOM 1219 C SER A 84 15.817 -1.943 -7.441 1.00 0.00 C ATOM 1220 O SER A 84 16.065 -1.836 -8.641 1.00 0.00 O ATOM 1221 CB SER A 84 16.179 0.043 -5.964 1.00 0.00 C ATOM 1222 OG SER A 84 17.184 0.477 -6.864 1.00 0.00 O ATOM 0 H SER A 84 14.066 -0.782 -4.872 1.00 0.00 H new ATOM 0 HA SER A 84 14.589 -0.193 -7.390 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.696 0.908 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.633 -0.530 -5.156 1.00 0.00 H new ATOM 0 HG SER A 84 17.840 1.024 -6.383 1.00 0.00 H new ATOM 1228 N GLY A 85 16.120 -3.028 -6.734 1.00 0.00 N ATOM 1229 CA GLY A 85 16.774 -4.162 -7.360 1.00 0.00 C ATOM 1230 C GLY A 85 16.287 -4.404 -8.775 1.00 0.00 C ATOM 1231 O GLY A 85 16.831 -3.870 -9.742 1.00 0.00 O ATOM 0 H GLY A 85 15.924 -3.141 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.851 -3.994 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.598 -5.055 -6.761 1.00 0.00 H new ATOM 1235 N PRO A 86 15.237 -5.228 -8.911 1.00 0.00 N ATOM 1236 CA PRO A 86 14.654 -5.559 -10.215 1.00 0.00 C ATOM 1237 C PRO A 86 13.930 -4.373 -10.844 1.00 0.00 C ATOM 1238 O PRO A 86 12.726 -4.199 -10.657 1.00 0.00 O ATOM 1239 CB PRO A 86 13.663 -6.678 -9.887 1.00 0.00 C ATOM 1240 CG PRO A 86 13.306 -6.460 -8.457 1.00 0.00 C ATOM 1241 CD PRO A 86 14.538 -5.900 -7.803 1.00 0.00 C ATOM 0 HA PRO A 86 15.415 -5.845 -10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.782 -6.627 -10.527 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.111 -7.660 -10.038 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.467 -5.770 -8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.003 -7.394 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.287 -5.202 -7.004 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.150 -6.686 -7.359 1.00 0.00 H new ATOM 1249 N SER A 87 14.671 -3.561 -11.590 1.00 0.00 N ATOM 1250 CA SER A 87 14.100 -2.389 -12.244 1.00 0.00 C ATOM 1251 C SER A 87 14.880 -2.037 -13.507 1.00 0.00 C ATOM 1252 O SER A 87 15.965 -1.460 -13.439 1.00 0.00 O ATOM 1253 CB SER A 87 14.093 -1.197 -11.286 1.00 0.00 C ATOM 1254 OG SER A 87 13.179 -1.402 -10.223 1.00 0.00 O ATOM 0 H SER A 87 15.669 -3.693 -11.757 1.00 0.00 H new ATOM 0 HA SER A 87 13.074 -2.625 -12.526 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.095 -1.044 -10.884 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.826 -0.291 -11.830 1.00 0.00 H new ATOM 0 HG SER A 87 12.788 -2.298 -10.296 1.00 0.00 H new ATOM 1260 N SER A 88 14.319 -2.390 -14.660 1.00 0.00 N ATOM 1261 CA SER A 88 14.964 -2.115 -15.939 1.00 0.00 C ATOM 1262 C SER A 88 14.615 -0.714 -16.433 1.00 0.00 C ATOM 1263 O SER A 88 15.480 0.025 -16.900 1.00 0.00 O ATOM 1264 CB SER A 88 14.543 -3.155 -16.979 1.00 0.00 C ATOM 1265 OG SER A 88 15.299 -3.019 -18.170 1.00 0.00 O ATOM 0 H SER A 88 13.420 -2.866 -14.734 1.00 0.00 H new ATOM 0 HA SER A 88 16.043 -2.172 -15.795 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.678 -4.157 -16.571 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.482 -3.042 -17.203 1.00 0.00 H new ATOM 0 HG SER A 88 15.012 -3.696 -18.818 1.00 0.00 H new ATOM 1271 N GLY A 89 13.339 -0.356 -16.326 1.00 0.00 N ATOM 1272 CA GLY A 89 12.896 0.954 -16.766 1.00 0.00 C ATOM 1273 C GLY A 89 11.853 1.553 -15.843 1.00 0.00 C ATOM 1274 O GLY A 89 11.023 2.334 -16.306 1.00 0.00 O ATOM 0 H GLY A 89 12.604 -0.950 -15.942 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.754 1.624 -16.823 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.485 0.876 -17.772 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.298 0.314 3.122 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.662 6.504 -1.605 1.00 0.00 ZN