USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=20 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 Set 1.1: A 30 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.622) USER MOD Set 1.2: A 58 ASN : amide:sc= -4.7! C(o=-4.7!,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= -0.0401 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.19) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.5!) USER MOD Single : A 25 MET CE :methyl -159:sc= -3.81 (180deg=-4.31!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -117:sc= 0.884 (180deg=-0.551) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0578 (180deg=-0.361) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.1!) USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 0.432 (180deg=0.124) 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 141:sc= 1.24 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -39:sc= 1.12 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.181 -22.154 -8.086 1.00 0.00 N ATOM 2 CA GLY A 1 34.953 -22.501 -8.777 1.00 0.00 C ATOM 3 C GLY A 1 33.882 -23.014 -7.835 1.00 0.00 C ATOM 4 O GLY A 1 33.351 -24.108 -8.025 1.00 0.00 O ATOM 0 H1 GLY A 1 36.881 -21.809 -8.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.987 -21.409 -7.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.556 -22.995 -7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.578 -21.625 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.165 -23.261 -9.529 1.00 0.00 H new ATOM 8 N SER A 2 33.565 -22.223 -6.815 1.00 0.00 N ATOM 9 CA SER A 2 32.555 -22.606 -5.836 1.00 0.00 C ATOM 10 C SER A 2 31.683 -21.412 -5.459 1.00 0.00 C ATOM 11 O SER A 2 32.082 -20.260 -5.629 1.00 0.00 O ATOM 12 CB SER A 2 33.220 -23.182 -4.584 1.00 0.00 C ATOM 13 OG SER A 2 33.930 -24.370 -4.884 1.00 0.00 O ATOM 0 H SER A 2 33.993 -21.313 -6.645 1.00 0.00 H new ATOM 0 HA SER A 2 31.920 -23.370 -6.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.901 -22.445 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.462 -23.389 -3.828 1.00 0.00 H new ATOM 0 HG SER A 2 34.347 -24.717 -4.068 1.00 0.00 H new ATOM 19 N SER A 3 30.490 -21.697 -4.947 1.00 0.00 N ATOM 20 CA SER A 3 29.559 -20.648 -4.549 1.00 0.00 C ATOM 21 C SER A 3 28.683 -21.110 -3.388 1.00 0.00 C ATOM 22 O SER A 3 28.553 -22.306 -3.132 1.00 0.00 O ATOM 23 CB SER A 3 28.681 -20.240 -5.734 1.00 0.00 C ATOM 24 OG SER A 3 29.450 -19.617 -6.748 1.00 0.00 O ATOM 0 H SER A 3 30.146 -22.645 -4.798 1.00 0.00 H new ATOM 0 HA SER A 3 30.140 -19.786 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.182 -21.120 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.901 -19.559 -5.395 1.00 0.00 H new ATOM 0 HG SER A 3 28.866 -19.367 -7.495 1.00 0.00 H new ATOM 30 N GLY A 4 28.084 -20.151 -2.689 1.00 0.00 N ATOM 31 CA GLY A 4 27.228 -20.478 -1.563 1.00 0.00 C ATOM 32 C GLY A 4 26.065 -19.517 -1.421 1.00 0.00 C ATOM 33 O GLY A 4 25.847 -18.664 -2.281 1.00 0.00 O ATOM 0 H GLY A 4 28.176 -19.154 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.845 -21.491 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.818 -20.467 -0.647 1.00 0.00 H new ATOM 37 N SER A 5 25.315 -19.655 -0.332 1.00 0.00 N ATOM 38 CA SER A 5 24.164 -18.795 -0.082 1.00 0.00 C ATOM 39 C SER A 5 24.537 -17.645 0.847 1.00 0.00 C ATOM 40 O SER A 5 24.829 -17.853 2.025 1.00 0.00 O ATOM 41 CB SER A 5 23.017 -19.606 0.525 1.00 0.00 C ATOM 42 OG SER A 5 22.441 -20.473 -0.436 1.00 0.00 O ATOM 0 H SER A 5 25.484 -20.354 0.391 1.00 0.00 H new ATOM 0 HA SER A 5 23.839 -18.378 -1.035 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.386 -20.188 1.369 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.255 -18.930 0.913 1.00 0.00 H new ATOM 0 HG SER A 5 21.712 -20.981 -0.023 1.00 0.00 H new ATOM 48 N SER A 6 24.524 -16.429 0.309 1.00 0.00 N ATOM 49 CA SER A 6 24.864 -15.245 1.089 1.00 0.00 C ATOM 50 C SER A 6 23.608 -14.470 1.476 1.00 0.00 C ATOM 51 O SER A 6 22.792 -14.121 0.623 1.00 0.00 O ATOM 52 CB SER A 6 25.810 -14.341 0.295 1.00 0.00 C ATOM 53 OG SER A 6 27.128 -14.862 0.291 1.00 0.00 O ATOM 0 H SER A 6 24.282 -16.238 -0.663 1.00 0.00 H new ATOM 0 HA SER A 6 25.364 -15.572 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.451 -14.244 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.812 -13.341 0.729 1.00 0.00 H new ATOM 0 HG SER A 6 27.713 -14.268 -0.224 1.00 0.00 H new ATOM 59 N GLY A 7 23.459 -14.204 2.770 1.00 0.00 N ATOM 60 CA GLY A 7 22.301 -13.473 3.249 1.00 0.00 C ATOM 61 C GLY A 7 22.307 -13.299 4.755 1.00 0.00 C ATOM 62 O GLY A 7 23.280 -12.809 5.327 1.00 0.00 O ATOM 0 H GLY A 7 24.120 -14.482 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.272 -12.493 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.394 -13.999 2.951 1.00 0.00 H new ATOM 66 N VAL A 8 21.216 -13.700 5.399 1.00 0.00 N ATOM 67 CA VAL A 8 21.098 -13.585 6.848 1.00 0.00 C ATOM 68 C VAL A 8 20.115 -14.610 7.403 1.00 0.00 C ATOM 69 O VAL A 8 19.100 -14.915 6.775 1.00 0.00 O ATOM 70 CB VAL A 8 20.642 -12.175 7.265 1.00 0.00 C ATOM 71 CG1 VAL A 8 21.634 -11.128 6.781 1.00 0.00 C ATOM 72 CG2 VAL A 8 19.247 -11.886 6.729 1.00 0.00 C ATOM 0 H VAL A 8 20.401 -14.107 4.940 1.00 0.00 H new ATOM 0 HA VAL A 8 22.089 -13.775 7.261 1.00 0.00 H new ATOM 0 HB VAL A 8 20.605 -12.131 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.295 -10.138 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.613 -11.326 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 8 21.705 -11.169 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.940 -10.885 7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.255 -11.948 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 8 18.545 -12.618 7.129 1.00 0.00 H new ATOM 82 N ARG A 9 20.422 -15.138 8.583 1.00 0.00 N ATOM 83 CA ARG A 9 19.565 -16.130 9.222 1.00 0.00 C ATOM 84 C ARG A 9 18.946 -15.571 10.500 1.00 0.00 C ATOM 85 O ARG A 9 19.623 -15.427 11.518 1.00 0.00 O ATOM 86 CB ARG A 9 20.364 -17.395 9.541 1.00 0.00 C ATOM 87 CG ARG A 9 20.482 -18.353 8.366 1.00 0.00 C ATOM 88 CD ARG A 9 21.259 -19.605 8.744 1.00 0.00 C ATOM 89 NE ARG A 9 21.953 -20.185 7.598 1.00 0.00 N ATOM 90 CZ ARG A 9 23.211 -19.900 7.279 1.00 0.00 C ATOM 91 NH1 ARG A 9 23.909 -19.048 8.018 1.00 0.00 N ATOM 92 NH2 ARG A 9 23.774 -20.469 6.221 1.00 0.00 N ATOM 0 H ARG A 9 21.257 -14.896 9.116 1.00 0.00 H new ATOM 0 HA ARG A 9 18.762 -16.380 8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 9 21.364 -17.110 9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 9 19.891 -17.913 10.375 1.00 0.00 H new ATOM 0 HG2 ARG A 9 19.486 -18.632 8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 9 20.979 -17.852 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 9 21.983 -19.361 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.576 -20.342 9.165 1.00 0.00 H new ATOM 0 HE ARG A 9 21.444 -20.845 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.480 -18.610 8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 9 24.875 -18.831 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.241 -21.126 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.740 -20.249 5.977 1.00 0.00 H new ATOM 106 N ALA A 10 17.656 -15.257 10.438 1.00 0.00 N ATOM 107 CA ALA A 10 16.946 -14.716 11.590 1.00 0.00 C ATOM 108 C ALA A 10 15.681 -15.516 11.881 1.00 0.00 C ATOM 109 O ALA A 10 14.928 -15.883 10.979 1.00 0.00 O ATOM 110 CB ALA A 10 16.605 -13.251 11.359 1.00 0.00 C ATOM 0 H ALA A 10 17.082 -15.368 9.602 1.00 0.00 H new ATOM 0 HA ALA A 10 17.601 -14.793 12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.075 -12.860 12.227 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.523 -12.683 11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.972 -13.160 10.476 1.00 0.00 H new ATOM 116 N PRO A 11 15.440 -15.795 13.171 1.00 0.00 N ATOM 117 CA PRO A 11 14.266 -16.555 13.610 1.00 0.00 C ATOM 118 C PRO A 11 12.970 -15.771 13.436 1.00 0.00 C ATOM 119 O PRO A 11 12.978 -14.541 13.384 1.00 0.00 O ATOM 120 CB PRO A 11 14.542 -16.808 15.094 1.00 0.00 C ATOM 121 CG PRO A 11 15.451 -15.701 15.505 1.00 0.00 C ATOM 122 CD PRO A 11 16.294 -15.389 14.299 1.00 0.00 C ATOM 0 HA PRO A 11 14.128 -17.465 13.026 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.620 -16.799 15.675 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.008 -17.781 15.250 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.883 -14.826 15.821 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.073 -15.999 16.349 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.548 -14.330 14.250 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.233 -15.942 14.311 1.00 0.00 H new ATOM 130 N VAL A 12 11.856 -16.492 13.346 1.00 0.00 N ATOM 131 CA VAL A 12 10.551 -15.863 13.179 1.00 0.00 C ATOM 132 C VAL A 12 9.612 -16.233 14.323 1.00 0.00 C ATOM 133 O VAL A 12 9.596 -17.375 14.783 1.00 0.00 O ATOM 134 CB VAL A 12 9.899 -16.269 11.844 1.00 0.00 C ATOM 135 CG1 VAL A 12 8.519 -15.644 11.711 1.00 0.00 C ATOM 136 CG2 VAL A 12 10.789 -15.872 10.675 1.00 0.00 C ATOM 0 H VAL A 12 11.831 -17.511 13.386 1.00 0.00 H new ATOM 0 HA VAL A 12 10.716 -14.786 13.182 1.00 0.00 H new ATOM 0 HB VAL A 12 9.782 -17.353 11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.074 -15.942 10.762 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.886 -15.983 12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.607 -14.558 11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.313 -16.166 9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.939 -14.792 10.682 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.753 -16.373 10.765 1.00 0.00 H new ATOM 146 N THR A 13 8.831 -15.259 14.778 1.00 0.00 N ATOM 147 CA THR A 13 7.890 -15.481 15.869 1.00 0.00 C ATOM 148 C THR A 13 6.457 -15.555 15.352 1.00 0.00 C ATOM 149 O THR A 13 6.157 -15.085 14.254 1.00 0.00 O ATOM 150 CB THR A 13 7.984 -14.366 16.928 1.00 0.00 C ATOM 151 OG1 THR A 13 7.159 -14.689 18.053 1.00 0.00 O ATOM 152 CG2 THR A 13 7.555 -13.028 16.345 1.00 0.00 C ATOM 0 H THR A 13 8.831 -14.308 14.408 1.00 0.00 H new ATOM 0 HA THR A 13 8.158 -16.432 16.329 1.00 0.00 H new ATOM 0 HB THR A 13 9.022 -14.287 17.250 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.225 -13.976 18.723 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.630 -12.256 17.111 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.203 -12.771 15.507 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.524 -13.096 15.998 1.00 0.00 H new ATOM 160 N LYS A 14 5.576 -16.148 16.150 1.00 0.00 N ATOM 161 CA LYS A 14 4.173 -16.283 15.775 1.00 0.00 C ATOM 162 C LYS A 14 3.274 -15.536 16.754 1.00 0.00 C ATOM 163 O LYS A 14 3.287 -15.806 17.955 1.00 0.00 O ATOM 164 CB LYS A 14 3.776 -17.760 15.727 1.00 0.00 C ATOM 165 CG LYS A 14 3.725 -18.421 17.093 1.00 0.00 C ATOM 166 CD LYS A 14 4.056 -19.902 17.009 1.00 0.00 C ATOM 167 CE LYS A 14 3.857 -20.594 18.349 1.00 0.00 C ATOM 168 NZ LYS A 14 2.444 -21.021 18.548 1.00 0.00 N ATOM 0 H LYS A 14 5.809 -16.543 17.061 1.00 0.00 H new ATOM 0 HA LYS A 14 4.044 -15.846 14.785 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.799 -17.850 15.253 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.486 -18.298 15.099 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.429 -17.928 17.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.732 -18.293 17.523 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.425 -20.375 16.257 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.089 -20.027 16.683 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.511 -21.464 18.409 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.149 -19.919 19.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.349 -21.488 19.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.822 -20.188 18.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.173 -21.685 17.795 1.00 0.00 H new ATOM 182 N VAL A 15 2.492 -14.595 16.234 1.00 0.00 N ATOM 183 CA VAL A 15 1.584 -13.811 17.062 1.00 0.00 C ATOM 184 C VAL A 15 0.160 -13.864 16.519 1.00 0.00 C ATOM 185 O VAL A 15 -0.051 -13.975 15.311 1.00 0.00 O ATOM 186 CB VAL A 15 2.033 -12.341 17.151 1.00 0.00 C ATOM 187 CG1 VAL A 15 2.043 -11.701 15.771 1.00 0.00 C ATOM 188 CG2 VAL A 15 1.134 -11.565 18.101 1.00 0.00 C ATOM 0 H VAL A 15 2.469 -14.357 15.242 1.00 0.00 H new ATOM 0 HA VAL A 15 1.606 -14.251 18.059 1.00 0.00 H new ATOM 0 HB VAL A 15 3.049 -12.313 17.546 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.363 -10.662 15.854 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.733 -12.243 15.124 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.040 -11.739 15.345 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.467 -10.528 18.151 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.106 -11.599 17.739 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.184 -12.011 19.095 1.00 0.00 H new ATOM 198 N HIS A 16 -0.814 -13.783 17.420 1.00 0.00 N ATOM 199 CA HIS A 16 -2.219 -13.821 17.031 1.00 0.00 C ATOM 200 C HIS A 16 -2.927 -12.527 17.425 1.00 0.00 C ATOM 201 O HIS A 16 -2.752 -12.026 18.535 1.00 0.00 O ATOM 202 CB HIS A 16 -2.918 -15.016 17.680 1.00 0.00 C ATOM 203 CG HIS A 16 -2.985 -14.932 19.174 1.00 0.00 C ATOM 204 ND1 HIS A 16 -4.068 -14.412 19.851 1.00 0.00 N ATOM 205 CD2 HIS A 16 -2.095 -15.307 20.122 1.00 0.00 C ATOM 206 CE1 HIS A 16 -3.840 -14.470 21.151 1.00 0.00 C ATOM 207 NE2 HIS A 16 -2.650 -15.010 21.343 1.00 0.00 N ATOM 0 H HIS A 16 -0.656 -13.691 18.423 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.268 -13.926 15.947 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.930 -15.094 17.283 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.394 -15.930 17.399 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.128 -15.756 19.950 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.513 -14.133 21.926 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.214 -15.179 22.250 1.00 0.00 H new ATOM 216 N GLY A 17 -3.727 -11.992 16.508 1.00 0.00 N ATOM 217 CA GLY A 17 -4.447 -10.762 16.778 1.00 0.00 C ATOM 218 C GLY A 17 -5.422 -10.407 15.673 1.00 0.00 C ATOM 219 O GLY A 17 -5.350 -10.951 14.573 1.00 0.00 O ATOM 0 H GLY A 17 -3.889 -12.389 15.583 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.989 -10.861 17.719 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.734 -9.947 16.905 1.00 0.00 H new ATOM 223 N GLY A 18 -6.340 -9.490 15.968 1.00 0.00 N ATOM 224 CA GLY A 18 -7.322 -9.080 14.981 1.00 0.00 C ATOM 225 C GLY A 18 -8.664 -9.753 15.185 1.00 0.00 C ATOM 226 O GLY A 18 -8.744 -10.825 15.783 1.00 0.00 O ATOM 0 H GLY A 18 -6.421 -9.025 16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.450 -7.999 15.028 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.950 -9.314 13.984 1.00 0.00 H new ATOM 230 N ALA A 19 -9.723 -9.121 14.688 1.00 0.00 N ATOM 231 CA ALA A 19 -11.068 -9.666 14.818 1.00 0.00 C ATOM 232 C ALA A 19 -11.976 -9.161 13.701 1.00 0.00 C ATOM 233 O ALA A 19 -12.125 -7.955 13.506 1.00 0.00 O ATOM 234 CB ALA A 19 -11.653 -9.309 16.177 1.00 0.00 C ATOM 0 H ALA A 19 -9.675 -8.231 14.192 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.003 -10.751 14.735 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.658 -9.722 16.260 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.024 -9.724 16.964 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.697 -8.225 16.281 1.00 0.00 H new ATOM 240 N GLY A 20 -12.580 -10.092 12.969 1.00 0.00 N ATOM 241 CA GLY A 20 -13.464 -9.721 11.880 1.00 0.00 C ATOM 242 C GLY A 20 -13.660 -10.846 10.883 1.00 0.00 C ATOM 243 O GLY A 20 -12.749 -11.639 10.644 1.00 0.00 O ATOM 0 H GLY A 20 -12.473 -11.096 13.111 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.432 -9.427 12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.056 -8.851 11.366 1.00 0.00 H new ATOM 247 N SER A 21 -14.854 -10.918 10.302 1.00 0.00 N ATOM 248 CA SER A 21 -15.169 -11.959 9.330 1.00 0.00 C ATOM 249 C SER A 21 -15.921 -11.377 8.137 1.00 0.00 C ATOM 250 O SER A 21 -16.731 -10.464 8.285 1.00 0.00 O ATOM 251 CB SER A 21 -16.003 -13.062 9.985 1.00 0.00 C ATOM 252 OG SER A 21 -17.153 -12.525 10.616 1.00 0.00 O ATOM 0 H SER A 21 -15.618 -10.268 10.487 1.00 0.00 H new ATOM 0 HA SER A 21 -14.232 -12.386 8.974 1.00 0.00 H new ATOM 0 HB2 SER A 21 -16.304 -13.790 9.232 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.397 -13.594 10.718 1.00 0.00 H new ATOM 0 HG SER A 21 -17.670 -13.250 11.025 1.00 0.00 H new ATOM 258 N ALA A 22 -15.645 -11.915 6.953 1.00 0.00 N ATOM 259 CA ALA A 22 -16.295 -11.452 5.734 1.00 0.00 C ATOM 260 C ALA A 22 -17.575 -12.236 5.462 1.00 0.00 C ATOM 261 O ALA A 22 -17.648 -13.434 5.734 1.00 0.00 O ATOM 262 CB ALA A 22 -15.344 -11.566 4.552 1.00 0.00 C ATOM 0 H ALA A 22 -14.976 -12.672 6.813 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.563 -10.404 5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.843 -11.217 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.459 -10.956 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.047 -12.607 4.423 1.00 0.00 H new ATOM 268 N GLN A 23 -18.581 -11.552 4.927 1.00 0.00 N ATOM 269 CA GLN A 23 -19.858 -12.185 4.621 1.00 0.00 C ATOM 270 C GLN A 23 -20.213 -12.010 3.148 1.00 0.00 C ATOM 271 O GLN A 23 -20.664 -10.943 2.731 1.00 0.00 O ATOM 272 CB GLN A 23 -20.965 -11.599 5.498 1.00 0.00 C ATOM 273 CG GLN A 23 -22.094 -12.575 5.786 1.00 0.00 C ATOM 274 CD GLN A 23 -23.427 -11.882 5.989 1.00 0.00 C ATOM 275 OE1 GLN A 23 -23.582 -10.703 5.670 1.00 0.00 O ATOM 276 NE2 GLN A 23 -24.399 -12.613 6.523 1.00 0.00 N ATOM 0 H GLN A 23 -18.536 -10.559 4.697 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.766 -13.251 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -20.532 -11.268 6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.375 -10.716 5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -22.178 -13.281 4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.850 -13.154 6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -24.226 -13.587 6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -25.318 -12.200 6.684 1.00 0.00 H new ATOM 285 N ARG A 24 -20.007 -13.064 2.365 1.00 0.00 N ATOM 286 CA ARG A 24 -20.305 -13.025 0.938 1.00 0.00 C ATOM 287 C ARG A 24 -19.655 -11.812 0.280 1.00 0.00 C ATOM 288 O ARG A 24 -20.187 -11.254 -0.679 1.00 0.00 O ATOM 289 CB ARG A 24 -21.817 -12.993 0.712 1.00 0.00 C ATOM 290 CG ARG A 24 -22.228 -13.331 -0.712 1.00 0.00 C ATOM 291 CD ARG A 24 -23.682 -12.974 -0.973 1.00 0.00 C ATOM 292 NE ARG A 24 -23.873 -11.535 -1.132 1.00 0.00 N ATOM 293 CZ ARG A 24 -23.739 -10.900 -2.291 1.00 0.00 C ATOM 294 NH1 ARG A 24 -23.417 -11.574 -3.387 1.00 0.00 N ATOM 295 NH2 ARG A 24 -23.929 -9.588 -2.356 1.00 0.00 N ATOM 0 H ARG A 24 -19.635 -13.955 2.694 1.00 0.00 H new ATOM 0 HA ARG A 24 -19.896 -13.926 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -22.293 -13.697 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -22.192 -12.001 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -21.589 -12.794 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -22.076 -14.395 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -24.025 -13.487 -1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -24.297 -13.332 -0.147 1.00 0.00 H new ATOM 0 HE ARG A 24 -24.123 -10.988 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -23.272 -12.583 -3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -23.315 -11.084 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -24.178 -9.067 -1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -23.826 -9.101 -3.246 1.00 0.00 H new ATOM 309 N MET A 25 -18.501 -11.409 0.802 1.00 0.00 N ATOM 310 CA MET A 25 -17.779 -10.262 0.264 1.00 0.00 C ATOM 311 C MET A 25 -16.406 -10.129 0.917 1.00 0.00 C ATOM 312 O MET A 25 -16.195 -10.534 2.060 1.00 0.00 O ATOM 313 CB MET A 25 -18.584 -8.979 0.478 1.00 0.00 C ATOM 314 CG MET A 25 -18.168 -8.198 1.714 1.00 0.00 C ATOM 315 SD MET A 25 -18.960 -8.803 3.217 1.00 0.00 S ATOM 316 CE MET A 25 -17.729 -8.374 4.445 1.00 0.00 C ATOM 0 H MET A 25 -18.046 -11.859 1.596 1.00 0.00 H new ATOM 0 HA MET A 25 -17.640 -10.421 -0.805 1.00 0.00 H new ATOM 0 HB2 MET A 25 -18.474 -8.341 -0.399 1.00 0.00 H new ATOM 0 HB3 MET A 25 -19.641 -9.232 0.557 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.086 -8.257 1.829 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.417 -7.146 1.575 1.00 0.00 H new ATOM 0 HE1 MET A 25 -17.874 -8.987 5.335 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.733 -8.553 4.040 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.830 -7.321 4.709 1.00 0.00 H new ATOM 326 N PRO A 26 -15.451 -9.549 0.176 1.00 0.00 N ATOM 327 CA PRO A 26 -14.083 -9.350 0.663 1.00 0.00 C ATOM 328 C PRO A 26 -14.007 -8.296 1.762 1.00 0.00 C ATOM 329 O PRO A 26 -14.856 -7.407 1.844 1.00 0.00 O ATOM 330 CB PRO A 26 -13.328 -8.879 -0.583 1.00 0.00 C ATOM 331 CG PRO A 26 -14.372 -8.263 -1.448 1.00 0.00 C ATOM 332 CD PRO A 26 -15.633 -9.043 -1.195 1.00 0.00 C ATOM 0 HA PRO A 26 -13.673 -10.256 1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.551 -8.159 -0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.837 -9.712 -1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.509 -7.210 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.087 -8.312 -2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.519 -8.413 -1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.753 -9.856 -1.911 1.00 0.00 H new ATOM 340 N LEU A 27 -12.985 -8.399 2.605 1.00 0.00 N ATOM 341 CA LEU A 27 -12.798 -7.454 3.700 1.00 0.00 C ATOM 342 C LEU A 27 -11.582 -6.566 3.451 1.00 0.00 C ATOM 343 O LEU A 27 -10.454 -7.052 3.356 1.00 0.00 O ATOM 344 CB LEU A 27 -12.634 -8.202 5.024 1.00 0.00 C ATOM 345 CG LEU A 27 -13.252 -7.535 6.253 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.740 -6.110 6.401 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.771 -7.550 6.162 1.00 0.00 C ATOM 0 H LEU A 27 -12.273 -9.128 2.551 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.683 -6.820 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.073 -9.194 4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.569 -8.343 5.209 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.955 -8.100 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.191 -5.651 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.656 -6.123 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.006 -5.534 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.193 -7.071 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.087 -7.009 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.122 -8.580 6.105 1.00 0.00 H new ATOM 359 N CYS A 28 -11.819 -5.263 3.349 1.00 0.00 N ATOM 360 CA CYS A 28 -10.744 -4.306 3.113 1.00 0.00 C ATOM 361 C CYS A 28 -9.618 -4.493 4.126 1.00 0.00 C ATOM 362 O CYS A 28 -9.838 -4.420 5.335 1.00 0.00 O ATOM 363 CB CYS A 28 -11.281 -2.876 3.188 1.00 0.00 C ATOM 364 SG CYS A 28 -10.088 -1.605 2.659 1.00 0.00 S ATOM 0 H CYS A 28 -12.746 -4.845 3.426 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.344 -4.484 2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.174 -2.802 2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.587 -2.668 4.213 1.00 0.00 H new ATOM 369 N ASP A 29 -8.412 -4.733 3.623 1.00 0.00 N ATOM 370 CA ASP A 29 -7.251 -4.928 4.483 1.00 0.00 C ATOM 371 C ASP A 29 -6.706 -3.590 4.974 1.00 0.00 C ATOM 372 O ASP A 29 -5.710 -3.540 5.696 1.00 0.00 O ATOM 373 CB ASP A 29 -6.158 -5.694 3.735 1.00 0.00 C ATOM 374 CG ASP A 29 -5.249 -6.468 4.669 1.00 0.00 C ATOM 375 OD1 ASP A 29 -5.757 -7.346 5.397 1.00 0.00 O ATOM 376 OD2 ASP A 29 -4.031 -6.194 4.674 1.00 0.00 O ATOM 0 H ASP A 29 -8.213 -4.797 2.625 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.566 -5.511 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.620 -6.384 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.562 -4.993 3.151 1.00 0.00 H new ATOM 381 N LYS A 30 -7.367 -2.508 4.577 1.00 0.00 N ATOM 382 CA LYS A 30 -6.950 -1.168 4.976 1.00 0.00 C ATOM 383 C LYS A 30 -7.755 -0.684 6.178 1.00 0.00 C ATOM 384 O LYS A 30 -7.190 -0.309 7.206 1.00 0.00 O ATOM 385 CB LYS A 30 -7.117 -0.192 3.810 1.00 0.00 C ATOM 386 CG LYS A 30 -6.650 1.219 4.126 1.00 0.00 C ATOM 387 CD LYS A 30 -5.232 1.459 3.637 1.00 0.00 C ATOM 388 CE LYS A 30 -4.653 2.742 4.214 1.00 0.00 C ATOM 389 NZ LYS A 30 -5.330 3.951 3.668 1.00 0.00 N ATOM 0 H LYS A 30 -8.193 -2.532 3.980 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.898 -1.210 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.560 -0.566 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.167 -0.162 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.323 1.939 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.698 1.387 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.601 0.615 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.226 1.513 2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.752 2.729 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.587 2.791 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.686 4.765 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.590 3.785 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.188 4.148 4.222 1.00 0.00 H new ATOM 403 N CYS A 31 -9.077 -0.695 6.042 1.00 0.00 N ATOM 404 CA CYS A 31 -9.960 -0.258 7.116 1.00 0.00 C ATOM 405 C CYS A 31 -10.782 -1.425 7.654 1.00 0.00 C ATOM 406 O CYS A 31 -11.771 -1.229 8.360 1.00 0.00 O ATOM 407 CB CYS A 31 -10.891 0.851 6.620 1.00 0.00 C ATOM 408 SG CYS A 31 -12.087 0.308 5.358 1.00 0.00 S ATOM 0 H CYS A 31 -9.560 -1.002 5.198 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.342 0.131 7.925 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.437 1.260 7.470 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.288 1.661 6.209 1.00 0.00 H new ATOM 413 N GLY A 32 -10.366 -2.641 7.314 1.00 0.00 N ATOM 414 CA GLY A 32 -11.074 -3.823 7.771 1.00 0.00 C ATOM 415 C GLY A 32 -12.578 -3.632 7.775 1.00 0.00 C ATOM 416 O GLY A 32 -13.254 -3.992 8.738 1.00 0.00 O ATOM 0 H GLY A 32 -9.551 -2.829 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.820 -4.666 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.740 -4.076 8.777 1.00 0.00 H new ATOM 420 N SER A 33 -13.103 -3.062 6.695 1.00 0.00 N ATOM 421 CA SER A 33 -14.537 -2.818 6.580 1.00 0.00 C ATOM 422 C SER A 33 -15.121 -3.568 5.386 1.00 0.00 C ATOM 423 O SER A 33 -14.573 -3.528 4.285 1.00 0.00 O ATOM 424 CB SER A 33 -14.811 -1.320 6.440 1.00 0.00 C ATOM 425 OG SER A 33 -16.064 -0.976 7.004 1.00 0.00 O ATOM 0 H SER A 33 -12.558 -2.761 5.887 1.00 0.00 H new ATOM 0 HA SER A 33 -15.017 -3.184 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.020 -0.755 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.794 -1.041 5.386 1.00 0.00 H new ATOM 0 HG SER A 33 -16.215 -0.013 6.903 1.00 0.00 H new ATOM 431 N GLY A 34 -16.238 -4.251 5.614 1.00 0.00 N ATOM 432 CA GLY A 34 -16.880 -5.001 4.549 1.00 0.00 C ATOM 433 C GLY A 34 -16.886 -4.248 3.234 1.00 0.00 C ATOM 434 O GLY A 34 -17.130 -3.041 3.202 1.00 0.00 O ATOM 0 H GLY A 34 -16.710 -4.299 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.365 -5.953 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.906 -5.231 4.838 1.00 0.00 H new ATOM 438 N ILE A 35 -16.617 -4.961 2.145 1.00 0.00 N ATOM 439 CA ILE A 35 -16.593 -4.352 0.821 1.00 0.00 C ATOM 440 C ILE A 35 -17.738 -4.870 -0.043 1.00 0.00 C ATOM 441 O ILE A 35 -17.865 -6.073 -0.268 1.00 0.00 O ATOM 442 CB ILE A 35 -15.258 -4.623 0.101 1.00 0.00 C ATOM 443 CG1 ILE A 35 -14.088 -4.103 0.938 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.259 -3.978 -1.277 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.754 -4.699 0.547 1.00 0.00 C ATOM 0 H ILE A 35 -16.413 -5.960 2.154 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.707 -3.278 0.965 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.141 -5.700 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.035 -3.019 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.279 -4.319 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.309 -4.178 -1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.073 -4.392 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.395 -2.901 -1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.971 -4.285 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.788 -5.781 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.540 -4.461 -0.495 1.00 0.00 H new ATOM 457 N VAL A 36 -18.569 -3.952 -0.527 1.00 0.00 N ATOM 458 CA VAL A 36 -19.702 -4.314 -1.369 1.00 0.00 C ATOM 459 C VAL A 36 -20.101 -3.159 -2.280 1.00 0.00 C ATOM 460 O VAL A 36 -20.503 -2.095 -1.811 1.00 0.00 O ATOM 461 CB VAL A 36 -20.920 -4.731 -0.523 1.00 0.00 C ATOM 462 CG1 VAL A 36 -21.160 -3.730 0.597 1.00 0.00 C ATOM 463 CG2 VAL A 36 -22.155 -4.869 -1.400 1.00 0.00 C ATOM 0 H VAL A 36 -18.478 -2.952 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.385 -5.161 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 36 -20.713 -5.701 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -22.024 -4.041 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.281 -3.686 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -21.347 -2.745 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -23.006 -5.164 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -22.368 -3.914 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -21.977 -5.628 -2.162 1.00 0.00 H new ATOM 473 N GLY A 37 -19.989 -3.377 -3.587 1.00 0.00 N ATOM 474 CA GLY A 37 -20.342 -2.345 -4.544 1.00 0.00 C ATOM 475 C GLY A 37 -19.165 -1.917 -5.398 1.00 0.00 C ATOM 476 O GLY A 37 -19.289 -1.778 -6.614 1.00 0.00 O ATOM 0 H GLY A 37 -19.660 -4.250 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.141 -2.711 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.734 -1.479 -4.011 1.00 0.00 H new ATOM 480 N ALA A 38 -18.018 -1.706 -4.759 1.00 0.00 N ATOM 481 CA ALA A 38 -16.814 -1.292 -5.467 1.00 0.00 C ATOM 482 C ALA A 38 -15.560 -1.657 -4.679 1.00 0.00 C ATOM 483 O ALA A 38 -15.408 -1.267 -3.521 1.00 0.00 O ATOM 484 CB ALA A 38 -16.850 0.204 -5.741 1.00 0.00 C ATOM 0 H ALA A 38 -17.898 -1.815 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.782 -1.824 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.944 0.499 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.721 0.441 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.911 0.745 -4.797 1.00 0.00 H new ATOM 490 N VAL A 39 -14.665 -2.408 -5.313 1.00 0.00 N ATOM 491 CA VAL A 39 -13.425 -2.825 -4.671 1.00 0.00 C ATOM 492 C VAL A 39 -12.249 -2.735 -5.636 1.00 0.00 C ATOM 493 O VAL A 39 -12.433 -2.594 -6.845 1.00 0.00 O ATOM 494 CB VAL A 39 -13.527 -4.266 -4.136 1.00 0.00 C ATOM 495 CG1 VAL A 39 -13.213 -5.268 -5.237 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.597 -4.460 -2.947 1.00 0.00 C ATOM 0 H VAL A 39 -14.776 -2.740 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.258 -2.146 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.550 -4.439 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.290 -6.280 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.922 -5.144 -6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.201 -5.099 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.682 -5.483 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.569 -4.269 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.873 -3.767 -2.152 1.00 0.00 H new ATOM 506 N VAL A 40 -11.038 -2.818 -5.095 1.00 0.00 N ATOM 507 CA VAL A 40 -9.830 -2.747 -5.908 1.00 0.00 C ATOM 508 C VAL A 40 -8.809 -3.790 -5.468 1.00 0.00 C ATOM 509 O VAL A 40 -8.116 -3.612 -4.466 1.00 0.00 O ATOM 510 CB VAL A 40 -9.185 -1.351 -5.836 1.00 0.00 C ATOM 511 CG1 VAL A 40 -7.892 -1.317 -6.637 1.00 0.00 C ATOM 512 CG2 VAL A 40 -10.156 -0.289 -6.330 1.00 0.00 C ATOM 0 H VAL A 40 -10.867 -2.935 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.130 -2.947 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.945 -1.135 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.451 -0.322 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.194 -2.050 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.103 -1.555 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.683 0.691 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.430 -0.499 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.051 -0.297 -5.709 1.00 0.00 H new ATOM 522 N LYS A 41 -8.720 -4.880 -6.223 1.00 0.00 N ATOM 523 CA LYS A 41 -7.782 -5.952 -5.913 1.00 0.00 C ATOM 524 C LYS A 41 -6.631 -5.974 -6.913 1.00 0.00 C ATOM 525 O LYS A 41 -6.848 -6.028 -8.123 1.00 0.00 O ATOM 526 CB LYS A 41 -8.501 -7.303 -5.917 1.00 0.00 C ATOM 527 CG LYS A 41 -7.619 -8.460 -6.354 1.00 0.00 C ATOM 528 CD LYS A 41 -8.442 -9.604 -6.924 1.00 0.00 C ATOM 529 CE LYS A 41 -7.566 -10.792 -7.290 1.00 0.00 C ATOM 530 NZ LYS A 41 -6.910 -10.610 -8.614 1.00 0.00 N ATOM 0 H LYS A 41 -9.287 -5.044 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.373 -5.767 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.882 -7.505 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.364 -7.244 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.908 -8.114 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.038 -8.817 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.191 -9.914 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.980 -9.261 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.804 -10.931 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.171 -11.698 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.241 -11.346 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.151 -9.673 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.879 -10.683 -8.503 1.00 0.00 H new ATOM 544 N ALA A 42 -5.406 -5.933 -6.400 1.00 0.00 N ATOM 545 CA ALA A 42 -4.221 -5.952 -7.248 1.00 0.00 C ATOM 546 C ALA A 42 -3.861 -7.376 -7.656 1.00 0.00 C ATOM 547 O ALA A 42 -4.152 -7.805 -8.773 1.00 0.00 O ATOM 548 CB ALA A 42 -3.050 -5.294 -6.534 1.00 0.00 C ATOM 0 H ALA A 42 -5.208 -5.886 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.444 -5.388 -8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.172 -5.315 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.302 -4.260 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.836 -5.834 -5.612 1.00 0.00 H new ATOM 554 N ARG A 43 -3.225 -8.105 -6.745 1.00 0.00 N ATOM 555 CA ARG A 43 -2.823 -9.481 -7.012 1.00 0.00 C ATOM 556 C ARG A 43 -3.820 -10.466 -6.408 1.00 0.00 C ATOM 557 O ARG A 43 -4.690 -10.989 -7.104 1.00 0.00 O ATOM 558 CB ARG A 43 -1.425 -9.745 -6.449 1.00 0.00 C ATOM 559 CG ARG A 43 -0.303 -9.298 -7.371 1.00 0.00 C ATOM 560 CD ARG A 43 0.998 -9.097 -6.609 1.00 0.00 C ATOM 561 NE ARG A 43 2.167 -9.258 -7.469 1.00 0.00 N ATOM 562 CZ ARG A 43 2.665 -8.283 -8.222 1.00 0.00 C ATOM 563 NH1 ARG A 43 2.099 -7.084 -8.220 1.00 0.00 N ATOM 564 NH2 ARG A 43 3.732 -8.507 -8.979 1.00 0.00 N ATOM 0 H ARG A 43 -2.977 -7.766 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.806 -9.624 -8.092 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.325 -9.231 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.318 -10.811 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.156 -10.042 -8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.585 -8.368 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.008 -8.101 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.051 -9.812 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 43 2.626 -10.168 -7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.279 -6.908 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.484 -6.338 -8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.170 -9.428 -8.983 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.114 -7.758 -9.557 1.00 0.00 H new ATOM 578 N ASP A 44 -3.687 -10.713 -5.110 1.00 0.00 N ATOM 579 CA ASP A 44 -4.577 -11.633 -4.411 1.00 0.00 C ATOM 580 C ASP A 44 -5.359 -10.911 -3.319 1.00 0.00 C ATOM 581 O ASP A 44 -6.425 -11.362 -2.901 1.00 0.00 O ATOM 582 CB ASP A 44 -3.777 -12.788 -3.805 1.00 0.00 C ATOM 583 CG ASP A 44 -2.868 -13.456 -4.817 1.00 0.00 C ATOM 584 OD1 ASP A 44 -3.377 -13.910 -5.864 1.00 0.00 O ATOM 585 OD2 ASP A 44 -1.648 -13.525 -4.563 1.00 0.00 O ATOM 0 H ASP A 44 -2.971 -10.289 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.287 -12.033 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.178 -12.415 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.465 -13.527 -3.395 1.00 0.00 H new ATOM 590 N LYS A 45 -4.821 -9.786 -2.859 1.00 0.00 N ATOM 591 CA LYS A 45 -5.467 -8.999 -1.816 1.00 0.00 C ATOM 592 C LYS A 45 -6.498 -8.046 -2.412 1.00 0.00 C ATOM 593 O LYS A 45 -6.539 -7.841 -3.625 1.00 0.00 O ATOM 594 CB LYS A 45 -4.423 -8.208 -1.025 1.00 0.00 C ATOM 595 CG LYS A 45 -3.844 -8.972 0.153 1.00 0.00 C ATOM 596 CD LYS A 45 -3.237 -8.034 1.182 1.00 0.00 C ATOM 597 CE LYS A 45 -1.909 -7.465 0.704 1.00 0.00 C ATOM 598 NZ LYS A 45 -0.864 -8.519 0.589 1.00 0.00 N ATOM 0 H LYS A 45 -3.938 -9.399 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.980 -9.686 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.612 -7.922 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.877 -7.286 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.627 -9.569 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.082 -9.666 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.931 -7.219 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.088 -8.569 2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.047 -6.984 -0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.573 -6.695 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.077 -8.076 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.934 -9.167 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.004 -9.052 -0.293 1.00 0.00 H new ATOM 612 N TYR A 46 -7.328 -7.467 -1.552 1.00 0.00 N ATOM 613 CA TYR A 46 -8.360 -6.536 -1.994 1.00 0.00 C ATOM 614 C TYR A 46 -8.309 -5.242 -1.187 1.00 0.00 C ATOM 615 O TYR A 46 -7.957 -5.247 -0.007 1.00 0.00 O ATOM 616 CB TYR A 46 -9.743 -7.176 -1.864 1.00 0.00 C ATOM 617 CG TYR A 46 -9.908 -8.433 -2.689 1.00 0.00 C ATOM 618 CD1 TYR A 46 -9.093 -9.538 -2.477 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.878 -8.515 -3.681 1.00 0.00 C ATOM 620 CE1 TYR A 46 -9.240 -10.688 -3.229 1.00 0.00 C ATOM 621 CE2 TYR A 46 -11.033 -9.661 -4.436 1.00 0.00 C ATOM 622 CZ TYR A 46 -10.211 -10.745 -4.206 1.00 0.00 C ATOM 623 OH TYR A 46 -10.361 -11.888 -4.957 1.00 0.00 O ATOM 0 H TYR A 46 -7.307 -7.626 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.174 -6.298 -3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.928 -7.412 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.499 -6.451 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.332 -9.498 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.522 -7.668 -3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.597 -11.538 -3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.793 -9.708 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.090 -11.763 -5.600 1.00 0.00 H new ATOM 633 N ARG A 47 -8.663 -4.136 -1.833 1.00 0.00 N ATOM 634 CA ARG A 47 -8.657 -2.834 -1.177 1.00 0.00 C ATOM 635 C ARG A 47 -9.760 -1.939 -1.735 1.00 0.00 C ATOM 636 O ARG A 47 -10.046 -1.962 -2.933 1.00 0.00 O ATOM 637 CB ARG A 47 -7.297 -2.156 -1.354 1.00 0.00 C ATOM 638 CG ARG A 47 -6.137 -2.963 -0.795 1.00 0.00 C ATOM 639 CD ARG A 47 -5.861 -2.608 0.658 1.00 0.00 C ATOM 640 NE ARG A 47 -4.771 -3.404 1.218 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.523 -2.965 1.328 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.207 -1.743 0.920 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.586 -3.748 1.849 1.00 0.00 N ATOM 0 H ARG A 47 -8.957 -4.115 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.842 -2.990 -0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.125 -1.976 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.320 -1.182 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.361 -4.027 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.244 -2.779 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.612 -1.549 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.764 -2.765 1.247 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.980 -4.348 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.924 -1.137 0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.247 -1.409 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.825 -4.688 2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.627 -3.410 1.933 1.00 0.00 H new ATOM 657 N HIS A 48 -10.376 -1.152 -0.859 1.00 0.00 N ATOM 658 CA HIS A 48 -11.448 -0.249 -1.265 1.00 0.00 C ATOM 659 C HIS A 48 -10.991 0.662 -2.400 1.00 0.00 C ATOM 660 O HIS A 48 -9.798 0.824 -2.657 1.00 0.00 O ATOM 661 CB HIS A 48 -11.912 0.593 -0.075 1.00 0.00 C ATOM 662 CG HIS A 48 -13.060 -0.010 0.674 1.00 0.00 C ATOM 663 ND1 HIS A 48 -13.141 -0.016 2.050 1.00 0.00 N ATOM 664 CD2 HIS A 48 -14.180 -0.628 0.230 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.260 -0.613 2.421 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.908 -0.994 1.335 1.00 0.00 N ATOM 0 H HIS A 48 -10.152 -1.121 0.136 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.283 -0.853 -1.621 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.075 0.732 0.609 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.200 1.582 -0.431 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.450 -0.801 -0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.589 -0.764 3.439 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.804 -1.481 1.320 1.00 0.00 H new ATOM 674 N PRO A 49 -11.961 1.271 -3.098 1.00 0.00 N ATOM 675 CA PRO A 49 -11.683 2.175 -4.218 1.00 0.00 C ATOM 676 C PRO A 49 -11.053 3.487 -3.760 1.00 0.00 C ATOM 677 O PRO A 49 -10.567 4.269 -4.576 1.00 0.00 O ATOM 678 CB PRO A 49 -13.066 2.428 -4.822 1.00 0.00 C ATOM 679 CG PRO A 49 -14.018 2.202 -3.698 1.00 0.00 C ATOM 680 CD PRO A 49 -13.405 1.124 -2.847 1.00 0.00 C ATOM 0 HA PRO A 49 -10.969 1.746 -4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.148 3.442 -5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.265 1.750 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.167 3.116 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.996 1.897 -4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.645 1.259 -1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.764 0.135 -3.131 1.00 0.00 H new ATOM 688 N GLU A 50 -11.065 3.719 -2.452 1.00 0.00 N ATOM 689 CA GLU A 50 -10.495 4.937 -1.888 1.00 0.00 C ATOM 690 C GLU A 50 -9.335 4.612 -0.951 1.00 0.00 C ATOM 691 O GLU A 50 -8.411 5.409 -0.789 1.00 0.00 O ATOM 692 CB GLU A 50 -11.568 5.727 -1.134 1.00 0.00 C ATOM 693 CG GLU A 50 -12.081 5.022 0.110 1.00 0.00 C ATOM 694 CD GLU A 50 -13.448 5.518 0.539 1.00 0.00 C ATOM 695 OE1 GLU A 50 -14.213 5.982 -0.333 1.00 0.00 O ATOM 696 OE2 GLU A 50 -13.754 5.443 1.748 1.00 0.00 O ATOM 0 H GLU A 50 -11.463 3.081 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.116 5.545 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.160 6.697 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.406 5.918 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.130 3.950 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.373 5.170 0.925 1.00 0.00 H new ATOM 703 N CYS A 51 -9.391 3.435 -0.336 1.00 0.00 N ATOM 704 CA CYS A 51 -8.347 3.003 0.585 1.00 0.00 C ATOM 705 C CYS A 51 -7.043 2.733 -0.159 1.00 0.00 C ATOM 706 O CYS A 51 -5.955 2.924 0.385 1.00 0.00 O ATOM 707 CB CYS A 51 -8.789 1.745 1.335 1.00 0.00 C ATOM 708 SG CYS A 51 -10.099 2.035 2.568 1.00 0.00 S ATOM 0 H CYS A 51 -10.149 2.763 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.176 3.805 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.142 1.009 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.924 1.311 1.836 1.00 0.00 H new ATOM 713 N PHE A 52 -7.160 2.288 -1.405 1.00 0.00 N ATOM 714 CA PHE A 52 -5.991 1.991 -2.225 1.00 0.00 C ATOM 715 C PHE A 52 -5.034 3.180 -2.258 1.00 0.00 C ATOM 716 O PHE A 52 -5.263 4.155 -2.974 1.00 0.00 O ATOM 717 CB PHE A 52 -6.418 1.625 -3.647 1.00 0.00 C ATOM 718 CG PHE A 52 -5.525 0.608 -4.298 1.00 0.00 C ATOM 719 CD1 PHE A 52 -5.218 -0.578 -3.652 1.00 0.00 C ATOM 720 CD2 PHE A 52 -4.994 0.837 -5.557 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.396 -1.516 -4.248 1.00 0.00 C ATOM 722 CE2 PHE A 52 -4.172 -0.097 -6.159 1.00 0.00 C ATOM 723 CZ PHE A 52 -3.873 -1.275 -5.504 1.00 0.00 C ATOM 0 H PHE A 52 -8.053 2.125 -1.870 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.472 1.142 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.437 1.240 -3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.432 2.528 -4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.626 -0.772 -2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.225 1.756 -6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.163 -2.436 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.764 0.094 -7.141 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.232 -2.007 -5.972 1.00 0.00 H new ATOM 733 N VAL A 53 -3.961 3.091 -1.479 1.00 0.00 N ATOM 734 CA VAL A 53 -2.969 4.157 -1.419 1.00 0.00 C ATOM 735 C VAL A 53 -1.627 3.632 -0.921 1.00 0.00 C ATOM 736 O VAL A 53 -1.515 2.480 -0.503 1.00 0.00 O ATOM 737 CB VAL A 53 -3.432 5.304 -0.500 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.779 5.843 -0.957 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.499 4.833 0.945 1.00 0.00 C ATOM 0 H VAL A 53 -3.757 2.291 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.853 4.538 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.704 6.113 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.090 6.652 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.693 6.219 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.520 5.044 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.828 5.655 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.205 4.007 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.512 4.499 1.265 1.00 0.00 H new ATOM 749 N CYS A 54 -0.610 4.486 -0.969 1.00 0.00 N ATOM 750 CA CYS A 54 0.726 4.110 -0.523 1.00 0.00 C ATOM 751 C CYS A 54 0.759 3.910 0.990 1.00 0.00 C ATOM 752 O CYS A 54 -0.189 4.259 1.693 1.00 0.00 O ATOM 753 CB CYS A 54 1.742 5.179 -0.929 1.00 0.00 C ATOM 754 SG CYS A 54 3.478 4.646 -0.790 1.00 0.00 S ATOM 0 H CYS A 54 -0.686 5.443 -1.312 1.00 0.00 H new ATOM 0 HA CYS A 54 0.989 3.167 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.546 5.478 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.593 6.061 -0.307 1.00 0.00 H new ATOM 759 N ALA A 55 1.856 3.345 1.483 1.00 0.00 N ATOM 760 CA ALA A 55 2.014 3.101 2.911 1.00 0.00 C ATOM 761 C ALA A 55 2.993 4.091 3.533 1.00 0.00 C ATOM 762 O ALA A 55 3.176 4.116 4.750 1.00 0.00 O ATOM 763 CB ALA A 55 2.478 1.673 3.154 1.00 0.00 C ATOM 0 H ALA A 55 2.649 3.048 0.914 1.00 0.00 H new ATOM 0 HA ALA A 55 1.044 3.242 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.592 1.505 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.740 0.978 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.435 1.512 2.658 1.00 0.00 H new ATOM 769 N ASP A 56 3.620 4.904 2.690 1.00 0.00 N ATOM 770 CA ASP A 56 4.581 5.897 3.157 1.00 0.00 C ATOM 771 C ASP A 56 4.045 7.310 2.951 1.00 0.00 C ATOM 772 O ASP A 56 4.230 8.185 3.798 1.00 0.00 O ATOM 773 CB ASP A 56 5.914 5.731 2.425 1.00 0.00 C ATOM 774 CG ASP A 56 7.085 6.260 3.229 1.00 0.00 C ATOM 775 OD1 ASP A 56 6.859 7.098 4.126 1.00 0.00 O ATOM 776 OD2 ASP A 56 8.229 5.835 2.960 1.00 0.00 O ATOM 0 H ASP A 56 3.480 4.895 1.680 1.00 0.00 H new ATOM 0 HA ASP A 56 4.740 5.740 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.075 4.676 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.868 6.253 1.469 1.00 0.00 H new ATOM 781 N CYS A 57 3.382 7.527 1.820 1.00 0.00 N ATOM 782 CA CYS A 57 2.821 8.835 1.501 1.00 0.00 C ATOM 783 C CYS A 57 1.303 8.758 1.372 1.00 0.00 C ATOM 784 O CYS A 57 0.619 9.780 1.352 1.00 0.00 O ATOM 785 CB CYS A 57 3.428 9.370 0.203 1.00 0.00 C ATOM 786 SG CYS A 57 3.233 8.255 -1.224 1.00 0.00 S ATOM 0 H CYS A 57 3.220 6.814 1.109 1.00 0.00 H new ATOM 0 HA CYS A 57 3.065 9.517 2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.967 10.329 -0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.490 9.558 0.361 1.00 0.00 H new ATOM 791 N ASN A 58 0.783 7.538 1.285 1.00 0.00 N ATOM 792 CA ASN A 58 -0.655 7.327 1.157 1.00 0.00 C ATOM 793 C ASN A 58 -1.173 7.894 -0.161 1.00 0.00 C ATOM 794 O ASN A 58 -2.194 8.583 -0.195 1.00 0.00 O ATOM 795 CB ASN A 58 -1.393 7.976 2.330 1.00 0.00 C ATOM 796 CG ASN A 58 -2.665 7.235 2.693 1.00 0.00 C ATOM 797 OD1 ASN A 58 -2.621 6.143 3.259 1.00 0.00 O ATOM 798 ND2 ASN A 58 -3.808 7.829 2.368 1.00 0.00 N ATOM 0 H ASN A 58 1.335 6.681 1.301 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.842 6.253 1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.734 8.008 3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.636 9.008 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.697 7.379 2.587 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.797 8.735 1.899 1.00 0.00 H new ATOM 805 N LEU A 59 -0.464 7.600 -1.245 1.00 0.00 N ATOM 806 CA LEU A 59 -0.851 8.080 -2.567 1.00 0.00 C ATOM 807 C LEU A 59 -1.726 7.055 -3.282 1.00 0.00 C ATOM 808 O LEU A 59 -1.393 5.873 -3.341 1.00 0.00 O ATOM 809 CB LEU A 59 0.391 8.382 -3.406 1.00 0.00 C ATOM 810 CG LEU A 59 0.255 9.517 -4.421 1.00 0.00 C ATOM 811 CD1 LEU A 59 1.593 9.799 -5.089 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.802 9.179 -5.462 1.00 0.00 C ATOM 0 H LEU A 59 0.383 7.031 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.426 8.997 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.212 8.622 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.673 7.475 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.060 10.416 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.477 10.610 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.324 10.087 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.938 8.903 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.885 9.999 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.517 8.267 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.763 9.029 -4.970 1.00 0.00 H new ATOM 824 N ASN A 60 -2.846 7.519 -3.828 1.00 0.00 N ATOM 825 CA ASN A 60 -3.768 6.644 -4.542 1.00 0.00 C ATOM 826 C ASN A 60 -3.037 5.843 -5.615 1.00 0.00 C ATOM 827 O ASN A 60 -2.658 6.380 -6.657 1.00 0.00 O ATOM 828 CB ASN A 60 -4.892 7.463 -5.179 1.00 0.00 C ATOM 829 CG ASN A 60 -6.230 6.752 -5.122 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.812 6.415 -6.153 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.725 6.520 -3.911 1.00 0.00 N ATOM 0 H ASN A 60 -3.136 8.496 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.198 5.947 -3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.972 8.423 -4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.640 7.674 -6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.622 6.045 -3.809 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.208 6.817 -3.083 1.00 0.00 H new ATOM 838 N LEU A 61 -2.843 4.555 -5.355 1.00 0.00 N ATOM 839 CA LEU A 61 -2.158 3.678 -6.298 1.00 0.00 C ATOM 840 C LEU A 61 -3.150 3.031 -7.259 1.00 0.00 C ATOM 841 O LEU A 61 -2.828 2.055 -7.937 1.00 0.00 O ATOM 842 CB LEU A 61 -1.379 2.597 -5.547 1.00 0.00 C ATOM 843 CG LEU A 61 -0.501 3.082 -4.392 1.00 0.00 C ATOM 844 CD1 LEU A 61 0.074 1.901 -3.626 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.614 3.978 -4.910 1.00 0.00 C ATOM 0 H LEU A 61 -3.151 4.094 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.461 4.283 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.091 1.870 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.746 2.071 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.120 3.664 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.696 2.266 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.740 1.298 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.679 1.291 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.229 4.314 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.232 3.420 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.182 4.843 -5.413 1.00 0.00 H new ATOM 857 N LYS A 62 -4.358 3.582 -7.314 1.00 0.00 N ATOM 858 CA LYS A 62 -5.397 3.062 -8.194 1.00 0.00 C ATOM 859 C LYS A 62 -5.035 3.290 -9.658 1.00 0.00 C ATOM 860 O LYS A 62 -4.814 2.339 -10.407 1.00 0.00 O ATOM 861 CB LYS A 62 -6.740 3.726 -7.881 1.00 0.00 C ATOM 862 CG LYS A 62 -7.747 3.626 -9.013 1.00 0.00 C ATOM 863 CD LYS A 62 -8.301 2.218 -9.144 1.00 0.00 C ATOM 864 CE LYS A 62 -8.695 1.905 -10.580 1.00 0.00 C ATOM 865 NZ LYS A 62 -7.563 1.322 -11.351 1.00 0.00 N ATOM 0 H LYS A 62 -4.641 4.389 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.480 1.989 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.163 3.267 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.570 4.777 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.565 4.325 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.273 3.920 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.555 1.499 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.169 2.106 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.533 1.208 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.037 2.817 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.674 1.553 -12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.666 1.716 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.557 0.289 -11.231 1.00 0.00 H new ATOM 879 N GLN A 63 -4.975 4.556 -10.058 1.00 0.00 N ATOM 880 CA GLN A 63 -4.639 4.908 -11.432 1.00 0.00 C ATOM 881 C GLN A 63 -3.153 4.693 -11.701 1.00 0.00 C ATOM 882 O GLN A 63 -2.767 4.209 -12.765 1.00 0.00 O ATOM 883 CB GLN A 63 -5.015 6.363 -11.715 1.00 0.00 C ATOM 884 CG GLN A 63 -4.564 7.330 -10.633 1.00 0.00 C ATOM 885 CD GLN A 63 -4.594 8.775 -11.091 1.00 0.00 C ATOM 886 OE1 GLN A 63 -3.560 9.440 -11.152 1.00 0.00 O ATOM 887 NE2 GLN A 63 -5.783 9.269 -11.415 1.00 0.00 N ATOM 0 H GLN A 63 -5.155 5.355 -9.450 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.208 4.258 -12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.576 6.665 -12.666 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.097 6.435 -11.827 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.206 7.217 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.552 7.073 -10.320 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.614 8.682 -11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.865 10.236 -11.729 1.00 0.00 H new ATOM 896 N LYS A 64 -2.322 5.057 -10.730 1.00 0.00 N ATOM 897 CA LYS A 64 -0.878 4.904 -10.860 1.00 0.00 C ATOM 898 C LYS A 64 -0.475 3.437 -10.756 1.00 0.00 C ATOM 899 O LYS A 64 -1.289 2.583 -10.408 1.00 0.00 O ATOM 900 CB LYS A 64 -0.159 5.719 -9.782 1.00 0.00 C ATOM 901 CG LYS A 64 -0.431 7.211 -9.865 1.00 0.00 C ATOM 902 CD LYS A 64 0.364 7.981 -8.823 1.00 0.00 C ATOM 903 CE LYS A 64 0.066 9.471 -8.885 1.00 0.00 C ATOM 904 NZ LYS A 64 0.834 10.146 -9.967 1.00 0.00 N ATOM 0 H LYS A 64 -2.625 5.461 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.585 5.274 -11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.464 5.357 -8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.914 5.549 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.175 7.574 -10.861 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.496 7.396 -9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.126 7.602 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.430 7.815 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.001 9.621 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.309 9.930 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.603 11.160 -9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.853 10.025 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.584 9.726 -10.885 1.00 0.00 H new ATOM 918 N GLY A 65 0.788 3.152 -11.061 1.00 0.00 N ATOM 919 CA GLY A 65 1.276 1.787 -10.995 1.00 0.00 C ATOM 920 C GLY A 65 1.547 1.336 -9.573 1.00 0.00 C ATOM 921 O GLY A 65 2.517 1.770 -8.951 1.00 0.00 O ATOM 0 H GLY A 65 1.481 3.842 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.544 1.120 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.192 1.703 -11.580 1.00 0.00 H new ATOM 925 N TYR A 66 0.688 0.465 -9.056 1.00 0.00 N ATOM 926 CA TYR A 66 0.837 -0.041 -7.697 1.00 0.00 C ATOM 927 C TYR A 66 2.031 -0.985 -7.595 1.00 0.00 C ATOM 928 O TYR A 66 2.544 -1.467 -8.605 1.00 0.00 O ATOM 929 CB TYR A 66 -0.437 -0.764 -7.257 1.00 0.00 C ATOM 930 CG TYR A 66 -0.592 -2.141 -7.862 1.00 0.00 C ATOM 931 CD1 TYR A 66 -0.043 -3.258 -7.245 1.00 0.00 C ATOM 932 CD2 TYR A 66 -1.287 -2.325 -9.051 1.00 0.00 C ATOM 933 CE1 TYR A 66 -0.181 -4.518 -7.795 1.00 0.00 C ATOM 934 CE2 TYR A 66 -1.431 -3.581 -9.607 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.876 -4.675 -8.976 1.00 0.00 C ATOM 936 OH TYR A 66 -1.017 -5.928 -9.526 1.00 0.00 O ATOM 0 H TYR A 66 -0.119 0.095 -9.558 1.00 0.00 H new ATOM 0 HA TYR A 66 1.011 0.809 -7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.438 -0.852 -6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.301 -0.158 -7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.501 -3.140 -6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.722 -1.471 -9.549 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.253 -5.376 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.975 -3.706 -10.531 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.534 -5.865 -10.356 1.00 0.00 H new ATOM 946 N PHE A 67 2.469 -1.244 -6.367 1.00 0.00 N ATOM 947 CA PHE A 67 3.603 -2.129 -6.131 1.00 0.00 C ATOM 948 C PHE A 67 3.359 -3.012 -4.911 1.00 0.00 C ATOM 949 O PHE A 67 2.422 -2.786 -4.144 1.00 0.00 O ATOM 950 CB PHE A 67 4.883 -1.313 -5.935 1.00 0.00 C ATOM 951 CG PHE A 67 5.543 -0.915 -7.224 1.00 0.00 C ATOM 952 CD1 PHE A 67 4.917 -0.042 -8.099 1.00 0.00 C ATOM 953 CD2 PHE A 67 6.790 -1.416 -7.562 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.522 0.326 -9.286 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.400 -1.051 -8.747 1.00 0.00 C ATOM 956 CZ PHE A 67 6.765 -0.180 -9.611 1.00 0.00 C ATOM 0 H PHE A 67 2.056 -0.853 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 67 3.719 -2.770 -7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.648 -0.415 -5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.587 -1.894 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.944 0.356 -7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.291 -2.099 -6.892 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.023 1.008 -9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.373 -1.447 -8.998 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.240 0.105 -10.538 1.00 0.00 H new ATOM 966 N PHE A 68 4.208 -4.020 -4.737 1.00 0.00 N ATOM 967 CA PHE A 68 4.084 -4.939 -3.612 1.00 0.00 C ATOM 968 C PHE A 68 5.455 -5.279 -3.034 1.00 0.00 C ATOM 969 O PHE A 68 6.193 -6.090 -3.593 1.00 0.00 O ATOM 970 CB PHE A 68 3.371 -6.220 -4.049 1.00 0.00 C ATOM 971 CG PHE A 68 1.883 -6.175 -3.849 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.056 -5.639 -4.823 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.311 -6.670 -2.689 1.00 0.00 C ATOM 974 CE1 PHE A 68 -0.314 -5.595 -4.642 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.058 -6.630 -2.502 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.871 -6.093 -3.480 1.00 0.00 C ATOM 0 H PHE A 68 4.989 -4.221 -5.361 1.00 0.00 H new ATOM 0 HA PHE A 68 3.494 -4.449 -2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.583 -6.403 -5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.779 -7.062 -3.491 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.487 -5.251 -5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.942 -7.092 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.948 -5.172 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.491 -7.018 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.941 -6.062 -3.337 1.00 0.00 H new ATOM 986 N VAL A 69 5.789 -4.651 -1.911 1.00 0.00 N ATOM 987 CA VAL A 69 7.070 -4.886 -1.256 1.00 0.00 C ATOM 988 C VAL A 69 6.874 -5.410 0.163 1.00 0.00 C ATOM 989 O VAL A 69 5.938 -5.014 0.856 1.00 0.00 O ATOM 990 CB VAL A 69 7.918 -3.601 -1.204 1.00 0.00 C ATOM 991 CG1 VAL A 69 9.298 -3.895 -0.636 1.00 0.00 C ATOM 992 CG2 VAL A 69 8.024 -2.978 -2.588 1.00 0.00 C ATOM 0 H VAL A 69 5.190 -3.976 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 69 7.595 -5.636 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 69 7.425 -2.886 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.883 -2.976 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.199 -4.294 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.803 -4.626 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.626 -2.071 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.495 -3.686 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.027 -2.730 -2.953 1.00 0.00 H new ATOM 1002 N GLU A 70 7.764 -6.301 0.587 1.00 0.00 N ATOM 1003 CA GLU A 70 7.688 -6.879 1.923 1.00 0.00 C ATOM 1004 C GLU A 70 6.237 -7.031 2.369 1.00 0.00 C ATOM 1005 O GLU A 70 5.917 -6.873 3.546 1.00 0.00 O ATOM 1006 CB GLU A 70 8.452 -6.009 2.924 1.00 0.00 C ATOM 1007 CG GLU A 70 8.428 -4.528 2.585 1.00 0.00 C ATOM 1008 CD GLU A 70 8.564 -3.646 3.811 1.00 0.00 C ATOM 1009 OE1 GLU A 70 7.655 -3.675 4.666 1.00 0.00 O ATOM 1010 OE2 GLU A 70 9.580 -2.928 3.915 1.00 0.00 O ATOM 0 H GLU A 70 8.546 -6.638 0.025 1.00 0.00 H new ATOM 0 HA GLU A 70 8.145 -7.868 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.026 -6.153 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.488 -6.346 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.238 -4.305 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.495 -4.291 2.074 1.00 0.00 H new ATOM 1017 N GLY A 71 5.361 -7.339 1.417 1.00 0.00 N ATOM 1018 CA GLY A 71 3.953 -7.507 1.729 1.00 0.00 C ATOM 1019 C GLY A 71 3.267 -6.190 2.034 1.00 0.00 C ATOM 1020 O GLY A 71 2.479 -6.097 2.974 1.00 0.00 O ATOM 0 H GLY A 71 5.601 -7.475 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.452 -7.988 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.851 -8.174 2.585 1.00 0.00 H new ATOM 1024 N GLU A 72 3.567 -5.169 1.237 1.00 0.00 N ATOM 1025 CA GLU A 72 2.974 -3.851 1.428 1.00 0.00 C ATOM 1026 C GLU A 72 2.909 -3.087 0.109 1.00 0.00 C ATOM 1027 O GLU A 72 3.759 -3.261 -0.765 1.00 0.00 O ATOM 1028 CB GLU A 72 3.777 -3.050 2.455 1.00 0.00 C ATOM 1029 CG GLU A 72 3.097 -1.763 2.890 1.00 0.00 C ATOM 1030 CD GLU A 72 3.433 -1.379 4.318 1.00 0.00 C ATOM 1031 OE1 GLU A 72 4.629 -1.169 4.609 1.00 0.00 O ATOM 1032 OE2 GLU A 72 2.501 -1.289 5.144 1.00 0.00 O ATOM 0 H GLU A 72 4.217 -5.230 0.453 1.00 0.00 H new ATOM 0 HA GLU A 72 1.958 -3.988 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.952 -3.673 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.753 -2.811 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.394 -0.955 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.017 -1.876 2.793 1.00 0.00 H new ATOM 1039 N LEU A 73 1.894 -2.241 -0.028 1.00 0.00 N ATOM 1040 CA LEU A 73 1.716 -1.449 -1.240 1.00 0.00 C ATOM 1041 C LEU A 73 2.540 -0.167 -1.179 1.00 0.00 C ATOM 1042 O LEU A 73 2.787 0.374 -0.101 1.00 0.00 O ATOM 1043 CB LEU A 73 0.238 -1.110 -1.439 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.561 -2.078 -2.313 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -2.041 -2.012 -1.966 1.00 0.00 C ATOM 1046 CD2 LEU A 73 -0.343 -1.770 -3.787 1.00 0.00 C ATOM 0 H LEU A 73 1.182 -2.086 0.685 1.00 0.00 H new ATOM 0 HA LEU A 73 2.063 -2.042 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.238 -1.059 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.170 -0.115 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.207 -3.090 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.594 -2.707 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.182 -2.282 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.409 -0.999 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.919 -2.469 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.669 -0.752 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.716 -1.869 -4.027 1.00 0.00 H new ATOM 1058 N TYR A 74 2.961 0.315 -2.343 1.00 0.00 N ATOM 1059 CA TYR A 74 3.758 1.534 -2.422 1.00 0.00 C ATOM 1060 C TYR A 74 3.625 2.183 -3.797 1.00 0.00 C ATOM 1061 O TYR A 74 3.281 1.523 -4.777 1.00 0.00 O ATOM 1062 CB TYR A 74 5.227 1.228 -2.130 1.00 0.00 C ATOM 1063 CG TYR A 74 5.508 0.941 -0.672 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.517 1.963 0.269 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.762 -0.353 -0.235 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.773 1.706 1.602 1.00 0.00 C ATOM 1067 CE2 TYR A 74 6.018 -0.621 1.096 1.00 0.00 C ATOM 1068 CZ TYR A 74 6.023 0.412 2.010 1.00 0.00 C ATOM 1069 OH TYR A 74 6.277 0.151 3.337 1.00 0.00 O ATOM 0 H TYR A 74 2.764 -0.119 -3.245 1.00 0.00 H new ATOM 0 HA TYR A 74 3.384 2.232 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.536 0.370 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.836 2.074 -2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.320 2.977 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.759 -1.164 -0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.777 2.513 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.213 -1.633 1.419 1.00 0.00 H new ATOM 0 HH TYR A 74 5.841 -0.688 3.595 1.00 0.00 H new ATOM 1079 N CYS A 75 3.903 3.481 -3.860 1.00 0.00 N ATOM 1080 CA CYS A 75 3.816 4.222 -5.112 1.00 0.00 C ATOM 1081 C CYS A 75 5.063 4.000 -5.963 1.00 0.00 C ATOM 1082 O CYS A 75 6.119 3.633 -5.449 1.00 0.00 O ATOM 1083 CB CYS A 75 3.634 5.715 -4.834 1.00 0.00 C ATOM 1084 SG CYS A 75 4.975 6.457 -3.850 1.00 0.00 S ATOM 0 H CYS A 75 4.191 4.041 -3.058 1.00 0.00 H new ATOM 0 HA CYS A 75 2.951 3.854 -5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.559 6.244 -5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.689 5.864 -4.311 1.00 0.00 H new ATOM 1089 N GLU A 76 4.932 4.226 -7.267 1.00 0.00 N ATOM 1090 CA GLU A 76 6.048 4.050 -8.188 1.00 0.00 C ATOM 1091 C GLU A 76 7.326 4.658 -7.617 1.00 0.00 C ATOM 1092 O GLU A 76 8.416 4.110 -7.782 1.00 0.00 O ATOM 1093 CB GLU A 76 5.727 4.688 -9.541 1.00 0.00 C ATOM 1094 CG GLU A 76 6.586 4.165 -10.680 1.00 0.00 C ATOM 1095 CD GLU A 76 6.455 4.999 -11.940 1.00 0.00 C ATOM 1096 OE1 GLU A 76 6.288 6.231 -11.822 1.00 0.00 O ATOM 1097 OE2 GLU A 76 6.520 4.419 -13.044 1.00 0.00 O ATOM 0 H GLU A 76 4.065 4.531 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 76 6.206 2.980 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.678 4.510 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.858 5.767 -9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.630 4.150 -10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.304 3.135 -10.899 1.00 0.00 H new ATOM 1104 N THR A 77 7.184 5.795 -6.943 1.00 0.00 N ATOM 1105 CA THR A 77 8.325 6.479 -6.349 1.00 0.00 C ATOM 1106 C THR A 77 8.947 5.645 -5.234 1.00 0.00 C ATOM 1107 O THR A 77 10.052 5.123 -5.379 1.00 0.00 O ATOM 1108 CB THR A 77 7.923 7.854 -5.782 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.316 8.648 -6.808 1.00 0.00 O ATOM 1110 CG2 THR A 77 9.134 8.583 -5.220 1.00 0.00 C ATOM 0 H THR A 77 6.289 6.262 -6.795 1.00 0.00 H new ATOM 0 HA THR A 77 9.057 6.622 -7.144 1.00 0.00 H new ATOM 0 HB THR A 77 7.208 7.695 -4.975 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.062 9.520 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.825 9.551 -4.826 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.577 7.990 -4.420 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.869 8.731 -6.011 1.00 0.00 H new ATOM 1118 N HIS A 78 8.229 5.523 -4.122 1.00 0.00 N ATOM 1119 CA HIS A 78 8.710 4.750 -2.983 1.00 0.00 C ATOM 1120 C HIS A 78 9.028 3.316 -3.394 1.00 0.00 C ATOM 1121 O HIS A 78 10.148 2.841 -3.211 1.00 0.00 O ATOM 1122 CB HIS A 78 7.671 4.753 -1.862 1.00 0.00 C ATOM 1123 CG HIS A 78 7.684 6.002 -1.036 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.545 6.722 -0.742 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.706 6.658 -0.439 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.867 7.767 -0.001 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.172 7.751 0.198 1.00 0.00 N ATOM 0 H HIS A 78 7.312 5.949 -3.986 1.00 0.00 H new ATOM 0 HA HIS A 78 9.626 5.217 -2.620 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.680 4.625 -2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.847 3.896 -1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.748 6.375 -0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.179 8.509 0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.698 8.439 0.737 1.00 0.00 H new ATOM 1135 N ALA A 79 8.034 2.631 -3.951 1.00 0.00 N ATOM 1136 CA ALA A 79 8.209 1.252 -4.390 1.00 0.00 C ATOM 1137 C ALA A 79 9.542 1.068 -5.107 1.00 0.00 C ATOM 1138 O ALA A 79 10.332 0.192 -4.754 1.00 0.00 O ATOM 1139 CB ALA A 79 7.058 0.836 -5.295 1.00 0.00 C ATOM 0 H ALA A 79 7.100 3.009 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 79 8.211 0.613 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.202 -0.196 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.118 0.919 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.029 1.487 -6.169 1.00 0.00 H new ATOM 1145 N ARG A 80 9.785 1.898 -6.116 1.00 0.00 N ATOM 1146 CA ARG A 80 11.022 1.826 -6.884 1.00 0.00 C ATOM 1147 C ARG A 80 12.235 1.788 -5.960 1.00 0.00 C ATOM 1148 O ARG A 80 13.195 1.061 -6.209 1.00 0.00 O ATOM 1149 CB ARG A 80 11.128 3.020 -7.834 1.00 0.00 C ATOM 1150 CG ARG A 80 10.599 2.737 -9.231 1.00 0.00 C ATOM 1151 CD ARG A 80 11.270 3.621 -10.271 1.00 0.00 C ATOM 1152 NE ARG A 80 12.460 2.993 -10.837 1.00 0.00 N ATOM 1153 CZ ARG A 80 12.427 2.130 -11.846 1.00 0.00 C ATOM 1154 NH1 ARG A 80 11.269 1.795 -12.398 1.00 0.00 N ATOM 1155 NH2 ARG A 80 13.553 1.601 -12.306 1.00 0.00 N ATOM 0 H ARG A 80 9.141 2.628 -6.421 1.00 0.00 H new ATOM 0 HA ARG A 80 11.004 0.906 -7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.578 3.860 -7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.172 3.325 -7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.767 1.689 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.522 2.901 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.562 3.842 -11.070 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.544 4.573 -9.815 1.00 0.00 H new ATOM 0 HE ARG A 80 13.367 3.230 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.401 2.200 -12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.246 1.132 -13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.446 1.857 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.526 0.938 -13.081 1.00 0.00 H new ATOM 1169 N ALA A 81 12.183 2.578 -4.892 1.00 0.00 N ATOM 1170 CA ALA A 81 13.276 2.634 -3.929 1.00 0.00 C ATOM 1171 C ALA A 81 13.483 1.282 -3.254 1.00 0.00 C ATOM 1172 O ALA A 81 14.616 0.858 -3.026 1.00 0.00 O ATOM 1173 CB ALA A 81 13.008 3.710 -2.888 1.00 0.00 C ATOM 0 H ALA A 81 11.396 3.188 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 81 14.189 2.885 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.832 3.740 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.918 4.678 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.081 3.484 -2.361 1.00 0.00 H new ATOM 1179 N ARG A 82 12.381 0.609 -2.937 1.00 0.00 N ATOM 1180 CA ARG A 82 12.443 -0.694 -2.286 1.00 0.00 C ATOM 1181 C ARG A 82 12.890 -1.772 -3.269 1.00 0.00 C ATOM 1182 O ARG A 82 13.899 -2.444 -3.053 1.00 0.00 O ATOM 1183 CB ARG A 82 11.078 -1.059 -1.699 1.00 0.00 C ATOM 1184 CG ARG A 82 10.541 -0.028 -0.719 1.00 0.00 C ATOM 1185 CD ARG A 82 9.021 -0.011 -0.706 1.00 0.00 C ATOM 1186 NE ARG A 82 8.492 1.270 -0.247 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.625 1.717 0.997 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.268 0.991 1.900 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.116 2.894 1.338 1.00 0.00 N ATOM 0 H ARG A 82 11.435 0.945 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 82 13.174 -0.636 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.363 -1.181 -2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.155 -2.022 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.912 -0.248 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.915 0.960 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.648 -0.219 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.655 -0.807 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 82 7.993 1.854 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.662 0.087 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.369 1.336 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.622 3.456 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.218 3.237 2.293 1.00 0.00 H new ATOM 1203 N THR A 83 12.133 -1.932 -4.349 1.00 0.00 N ATOM 1204 CA THR A 83 12.450 -2.928 -5.364 1.00 0.00 C ATOM 1205 C THR A 83 13.517 -2.415 -6.325 1.00 0.00 C ATOM 1206 O THR A 83 13.689 -2.951 -7.420 1.00 0.00 O ATOM 1207 CB THR A 83 11.199 -3.327 -6.170 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.528 -4.360 -7.106 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.627 -2.128 -6.911 1.00 0.00 C ATOM 0 H THR A 83 11.295 -1.384 -4.544 1.00 0.00 H new ATOM 0 HA THR A 83 12.830 -3.804 -4.838 1.00 0.00 H new ATOM 0 HB THR A 83 10.447 -3.695 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.409 -4.180 -7.495 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.745 -2.435 -7.473 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.350 -1.355 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.376 -1.734 -7.598 1.00 0.00 H new ATOM 1217 N SER A 84 14.230 -1.374 -5.908 1.00 0.00 N ATOM 1218 CA SER A 84 15.279 -0.786 -6.733 1.00 0.00 C ATOM 1219 C SER A 84 16.256 -1.855 -7.212 1.00 0.00 C ATOM 1220 O SER A 84 17.116 -2.309 -6.459 1.00 0.00 O ATOM 1221 CB SER A 84 16.029 0.293 -5.950 1.00 0.00 C ATOM 1222 OG SER A 84 17.089 0.836 -6.718 1.00 0.00 O ATOM 0 H SER A 84 14.101 -0.920 -5.004 1.00 0.00 H new ATOM 0 HA SER A 84 14.809 -0.331 -7.605 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.338 1.087 -5.665 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.425 -0.131 -5.027 1.00 0.00 H new ATOM 0 HG SER A 84 17.552 1.524 -6.196 1.00 0.00 H new ATOM 1228 N GLY A 85 16.117 -2.253 -8.473 1.00 0.00 N ATOM 1229 CA GLY A 85 16.993 -3.266 -9.033 1.00 0.00 C ATOM 1230 C GLY A 85 16.432 -4.665 -8.884 1.00 0.00 C ATOM 1231 O GLY A 85 16.998 -5.515 -8.196 1.00 0.00 O ATOM 0 H GLY A 85 15.413 -1.892 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.158 -3.055 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.965 -3.213 -8.542 1.00 0.00 H new ATOM 1235 N PRO A 86 15.290 -4.922 -9.539 1.00 0.00 N ATOM 1236 CA PRO A 86 14.625 -6.228 -9.491 1.00 0.00 C ATOM 1237 C PRO A 86 15.408 -7.304 -10.234 1.00 0.00 C ATOM 1238 O PRO A 86 16.463 -7.034 -10.808 1.00 0.00 O ATOM 1239 CB PRO A 86 13.284 -5.969 -10.181 1.00 0.00 C ATOM 1240 CG PRO A 86 13.538 -4.808 -11.080 1.00 0.00 C ATOM 1241 CD PRO A 86 14.559 -3.957 -10.378 1.00 0.00 C ATOM 0 HA PRO A 86 14.530 -6.600 -8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.954 -6.841 -10.745 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.502 -5.744 -9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.907 -5.139 -12.051 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.621 -4.247 -11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.221 -3.458 -11.086 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.089 -3.178 -9.778 1.00 0.00 H new ATOM 1249 N SER A 87 14.884 -8.526 -10.221 1.00 0.00 N ATOM 1250 CA SER A 87 15.536 -9.644 -10.892 1.00 0.00 C ATOM 1251 C SER A 87 16.157 -9.199 -12.212 1.00 0.00 C ATOM 1252 O SER A 87 17.370 -9.286 -12.402 1.00 0.00 O ATOM 1253 CB SER A 87 14.533 -10.772 -11.141 1.00 0.00 C ATOM 1254 OG SER A 87 15.194 -12.013 -11.318 1.00 0.00 O ATOM 0 H SER A 87 14.010 -8.766 -9.753 1.00 0.00 H new ATOM 0 HA SER A 87 16.331 -10.011 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.843 -10.841 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.937 -10.544 -12.025 1.00 0.00 H new ATOM 0 HG SER A 87 14.531 -12.718 -11.474 1.00 0.00 H new ATOM 1260 N SER A 88 15.315 -8.722 -13.123 1.00 0.00 N ATOM 1261 CA SER A 88 15.778 -8.266 -14.429 1.00 0.00 C ATOM 1262 C SER A 88 16.470 -6.910 -14.316 1.00 0.00 C ATOM 1263 O SER A 88 16.250 -6.166 -13.362 1.00 0.00 O ATOM 1264 CB SER A 88 14.605 -8.173 -15.406 1.00 0.00 C ATOM 1265 OG SER A 88 13.762 -7.079 -15.089 1.00 0.00 O ATOM 0 H SER A 88 14.308 -8.641 -12.981 1.00 0.00 H new ATOM 0 HA SER A 88 16.498 -8.992 -14.806 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.982 -8.063 -16.423 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.030 -9.099 -15.378 1.00 0.00 H new ATOM 0 HG SER A 88 13.021 -7.041 -15.729 1.00 0.00 H new ATOM 1271 N GLY A 89 17.308 -6.597 -15.300 1.00 0.00 N ATOM 1272 CA GLY A 89 18.019 -5.332 -15.294 1.00 0.00 C ATOM 1273 C GLY A 89 17.123 -4.165 -14.932 1.00 0.00 C ATOM 1274 O GLY A 89 16.086 -3.986 -15.569 1.00 0.00 O ATOM 0 H GLY A 89 17.507 -7.197 -16.101 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.844 -5.386 -14.584 1.00 0.00 H new ATOM 0 HA3 GLY A 89 18.455 -5.159 -16.278 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.422 0.309 3.160 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.654 6.546 -1.543 1.00 0.00 ZN