USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 426 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 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 140:sc= 0.0175 USER MOD Single : A 5 SER OG : rot 39:sc= 0.642 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 17 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.7!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -130:sc= -2.18 (180deg=-6.47!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.115 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= -0.797 (180deg=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.239 -6.654 -14.654 1.00 0.00 N ATOM 2 CA ALA A 2 -7.531 -6.746 -13.924 1.00 0.00 C ATOM 3 C ALA A 2 -8.624 -7.320 -14.819 1.00 0.00 C ATOM 4 O ALA A 2 -9.390 -6.578 -15.432 1.00 0.00 O ATOM 5 CB ALA A 2 -7.939 -5.377 -13.402 1.00 0.00 C ATOM 0 HA ALA A 2 -7.397 -7.420 -13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.887 -5.458 -12.869 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.172 -5.003 -12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.051 -4.687 -14.238 1.00 0.00 H new ATOM 13 N SER A 3 -8.691 -8.645 -14.888 1.00 0.00 N ATOM 14 CA SER A 3 -9.692 -9.319 -15.706 1.00 0.00 C ATOM 15 C SER A 3 -10.875 -9.770 -14.858 1.00 0.00 C ATOM 16 O SER A 3 -10.832 -10.827 -14.227 1.00 0.00 O ATOM 17 CB SER A 3 -9.072 -10.521 -16.420 1.00 0.00 C ATOM 18 OG SER A 3 -9.969 -11.070 -17.370 1.00 0.00 O ATOM 0 H SER A 3 -8.063 -9.274 -14.387 1.00 0.00 H new ATOM 0 HA SER A 3 -10.053 -8.610 -16.451 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.152 -10.217 -16.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.802 -11.282 -15.688 1.00 0.00 H new ATOM 0 HG SER A 3 -9.548 -11.836 -17.813 1.00 0.00 H new ATOM 24 N THR A 4 -11.932 -8.964 -14.847 1.00 0.00 N ATOM 25 CA THR A 4 -13.127 -9.281 -14.074 1.00 0.00 C ATOM 26 C THR A 4 -14.381 -9.131 -14.928 1.00 0.00 C ATOM 27 O THR A 4 -15.069 -10.110 -15.217 1.00 0.00 O ATOM 28 CB THR A 4 -13.221 -8.375 -12.846 1.00 0.00 C ATOM 29 OG1 THR A 4 -11.966 -8.277 -12.198 1.00 0.00 O ATOM 30 CG2 THR A 4 -14.229 -8.854 -11.823 1.00 0.00 C ATOM 0 H THR A 4 -11.985 -8.087 -15.365 1.00 0.00 H new ATOM 0 HA THR A 4 -13.053 -10.318 -13.746 1.00 0.00 H new ATOM 0 HB THR A 4 -13.546 -7.407 -13.227 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.822 -7.354 -11.901 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.245 -8.166 -10.978 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.219 -8.893 -12.278 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.950 -9.849 -11.476 1.00 0.00 H new ATOM 38 N SER A 5 -14.674 -7.898 -15.329 1.00 0.00 N ATOM 39 CA SER A 5 -15.848 -7.620 -16.150 1.00 0.00 C ATOM 40 C SER A 5 -15.735 -6.251 -16.815 1.00 0.00 C ATOM 41 O SER A 5 -15.625 -6.151 -18.036 1.00 0.00 O ATOM 42 CB SER A 5 -17.118 -7.684 -15.300 1.00 0.00 C ATOM 43 OG SER A 5 -17.687 -8.981 -15.331 1.00 0.00 O ATOM 0 H SER A 5 -14.115 -7.076 -15.099 1.00 0.00 H new ATOM 0 HA SER A 5 -15.903 -8.379 -16.930 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.885 -7.410 -14.271 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.842 -6.957 -15.667 1.00 0.00 H new ATOM 0 HG SER A 5 -16.973 -9.652 -15.303 1.00 0.00 H new ATOM 49 N ARG A 6 -15.766 -5.201 -16.002 1.00 0.00 N ATOM 50 CA ARG A 6 -15.668 -3.838 -16.512 1.00 0.00 C ATOM 51 C ARG A 6 -14.983 -2.926 -15.498 1.00 0.00 C ATOM 52 O ARG A 6 -13.921 -2.368 -15.769 1.00 0.00 O ATOM 53 CB ARG A 6 -17.059 -3.295 -16.844 1.00 0.00 C ATOM 54 CG ARG A 6 -17.055 -2.241 -17.940 1.00 0.00 C ATOM 55 CD ARG A 6 -18.407 -2.149 -18.629 1.00 0.00 C ATOM 56 NE ARG A 6 -18.692 -0.795 -19.097 1.00 0.00 N ATOM 57 CZ ARG A 6 -19.097 0.193 -18.303 1.00 0.00 C ATOM 58 NH1 ARG A 6 -19.265 -0.016 -17.003 1.00 0.00 N ATOM 59 NH2 ARG A 6 -19.336 1.396 -18.811 1.00 0.00 N ATOM 0 H ARG A 6 -15.858 -5.267 -14.988 1.00 0.00 H new ATOM 0 HA ARG A 6 -15.066 -3.859 -17.421 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.700 -4.122 -17.149 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.498 -2.868 -15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -16.796 -1.272 -17.513 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -16.287 -2.481 -18.675 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -18.431 -2.837 -19.474 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -19.188 -2.466 -17.938 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.574 -0.595 -20.090 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.083 -0.938 -16.607 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.576 0.746 -16.400 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.209 1.562 -19.809 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.647 2.154 -18.203 1.00 0.00 H new ATOM 73 N LEU A 7 -15.601 -2.780 -14.330 1.00 0.00 N ATOM 74 CA LEU A 7 -15.052 -1.936 -13.275 1.00 0.00 C ATOM 75 C LEU A 7 -14.758 -2.755 -12.021 1.00 0.00 C ATOM 76 O LEU A 7 -15.587 -3.551 -11.580 1.00 0.00 O ATOM 77 CB LEU A 7 -16.024 -0.802 -12.944 1.00 0.00 C ATOM 78 CG LEU A 7 -15.371 0.560 -12.702 1.00 0.00 C ATOM 79 CD1 LEU A 7 -14.920 1.176 -14.017 1.00 0.00 C ATOM 80 CD2 LEU A 7 -16.332 1.489 -11.976 1.00 0.00 C ATOM 0 H LEU A 7 -16.482 -3.235 -14.091 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.116 -1.509 -13.634 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.738 -0.705 -13.762 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.592 -1.078 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.493 0.415 -12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.458 2.144 -13.826 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.197 0.518 -14.498 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.782 1.308 -14.671 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.851 2.453 -11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.229 1.628 -12.579 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -16.605 1.052 -11.016 1.00 0.00 H new ATOM 92 N ASP A 8 -13.574 -2.553 -11.454 1.00 0.00 N ATOM 93 CA ASP A 8 -13.172 -3.273 -10.250 1.00 0.00 C ATOM 94 C ASP A 8 -12.505 -2.334 -9.251 1.00 0.00 C ATOM 95 O ASP A 8 -11.288 -2.149 -9.274 1.00 0.00 O ATOM 96 CB ASP A 8 -12.218 -4.415 -10.609 1.00 0.00 C ATOM 97 CG ASP A 8 -12.217 -5.515 -9.567 1.00 0.00 C ATOM 98 OD1 ASP A 8 -11.733 -5.268 -8.442 1.00 0.00 O ATOM 99 OD2 ASP A 8 -12.702 -6.625 -9.874 1.00 0.00 O ATOM 0 H ASP A 8 -12.876 -1.898 -11.807 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.068 -3.688 -9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.503 -4.833 -11.575 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.208 -4.020 -10.718 1.00 0.00 H new ATOM 104 N ALA A 9 -13.310 -1.741 -8.376 1.00 0.00 N ATOM 105 CA ALA A 9 -12.798 -0.820 -7.369 1.00 0.00 C ATOM 106 C ALA A 9 -12.607 -1.523 -6.028 1.00 0.00 C ATOM 107 O ALA A 9 -12.819 -0.931 -4.971 1.00 0.00 O ATOM 108 CB ALA A 9 -13.736 0.368 -7.215 1.00 0.00 C ATOM 0 H ALA A 9 -14.320 -1.882 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.825 -0.460 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.341 1.048 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.819 0.892 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.721 0.016 -6.908 1.00 0.00 H new ATOM 114 N LEU A 10 -12.205 -2.788 -6.082 1.00 0.00 N ATOM 115 CA LEU A 10 -11.984 -3.572 -4.871 1.00 0.00 C ATOM 116 C LEU A 10 -10.494 -3.847 -4.666 1.00 0.00 C ATOM 117 O LEU A 10 -9.854 -4.483 -5.504 1.00 0.00 O ATOM 118 CB LEU A 10 -12.755 -4.893 -4.950 1.00 0.00 C ATOM 119 CG LEU A 10 -13.713 -5.153 -3.782 1.00 0.00 C ATOM 120 CD1 LEU A 10 -15.151 -4.884 -4.200 1.00 0.00 C ATOM 121 CD2 LEU A 10 -13.562 -6.579 -3.274 1.00 0.00 C ATOM 0 H LEU A 10 -12.025 -3.293 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.348 -2.997 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.325 -4.909 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.038 -5.712 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.458 -4.471 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.816 -5.074 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.250 -3.845 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -15.418 -5.540 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.250 -6.745 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.789 -7.278 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.539 -6.737 -2.933 1.00 0.00 H new ATOM 133 N PRO A 11 -9.916 -3.372 -3.547 1.00 0.00 N ATOM 134 CA PRO A 11 -8.495 -3.578 -3.248 1.00 0.00 C ATOM 135 C PRO A 11 -8.170 -5.041 -2.972 1.00 0.00 C ATOM 136 O PRO A 11 -8.051 -5.455 -1.818 1.00 0.00 O ATOM 137 CB PRO A 11 -8.265 -2.731 -1.993 1.00 0.00 C ATOM 138 CG PRO A 11 -9.606 -2.618 -1.359 1.00 0.00 C ATOM 139 CD PRO A 11 -10.597 -2.603 -2.488 1.00 0.00 C ATOM 0 HA PRO A 11 -7.858 -3.297 -4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.549 -3.205 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.863 -1.750 -2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.792 -3.456 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.680 -1.709 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.542 -3.064 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.824 -1.587 -2.811 1.00 0.00 H new ATOM 147 N ARG A 12 -8.032 -5.823 -4.037 1.00 0.00 N ATOM 148 CA ARG A 12 -7.724 -7.241 -3.908 1.00 0.00 C ATOM 149 C ARG A 12 -6.247 -7.510 -4.183 1.00 0.00 C ATOM 150 O ARG A 12 -5.900 -8.266 -5.090 1.00 0.00 O ATOM 151 CB ARG A 12 -8.590 -8.062 -4.867 1.00 0.00 C ATOM 152 CG ARG A 12 -8.807 -9.496 -4.412 1.00 0.00 C ATOM 153 CD ARG A 12 -9.564 -10.305 -5.454 1.00 0.00 C ATOM 154 NE ARG A 12 -8.677 -10.833 -6.489 1.00 0.00 N ATOM 155 CZ ARG A 12 -8.370 -10.183 -7.612 1.00 0.00 C ATOM 156 NH1 ARG A 12 -8.873 -8.978 -7.852 1.00 0.00 N ATOM 157 NH2 ARG A 12 -7.556 -10.741 -8.497 1.00 0.00 N ATOM 0 H ARG A 12 -8.129 -5.498 -4.999 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.942 -7.540 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.558 -7.574 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.122 -8.068 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.843 -9.966 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.361 -9.501 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.082 -11.130 -4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.327 -9.678 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.268 -11.756 -6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.499 -8.543 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.633 -8.488 -8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.166 -11.666 -8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.320 -10.245 -9.357 1.00 0.00 H new ATOM 171 N VAL A 13 -5.379 -6.887 -3.389 1.00 0.00 N ATOM 172 CA VAL A 13 -3.945 -7.061 -3.542 1.00 0.00 C ATOM 173 C VAL A 13 -3.540 -8.506 -3.273 1.00 0.00 C ATOM 174 O VAL A 13 -3.092 -8.842 -2.177 1.00 0.00 O ATOM 175 CB VAL A 13 -3.171 -6.133 -2.589 1.00 0.00 C ATOM 176 CG1 VAL A 13 -3.191 -4.702 -3.100 1.00 0.00 C ATOM 177 CG2 VAL A 13 -3.743 -6.212 -1.181 1.00 0.00 C ATOM 0 H VAL A 13 -5.649 -6.257 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.695 -6.804 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.134 -6.466 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.638 -4.062 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.727 -4.661 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.222 -4.355 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.182 -5.549 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.790 -5.908 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.668 -7.236 -0.815 1.00 0.00 H new ATOM 187 N THR A 14 -3.709 -9.359 -4.278 1.00 0.00 N ATOM 188 CA THR A 14 -3.369 -10.771 -4.147 1.00 0.00 C ATOM 189 C THR A 14 -2.073 -11.098 -4.885 1.00 0.00 C ATOM 190 O THR A 14 -1.428 -10.216 -5.452 1.00 0.00 O ATOM 191 CB THR A 14 -4.507 -11.641 -4.683 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.147 -11.009 -5.778 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.566 -11.946 -3.646 1.00 0.00 C ATOM 0 H THR A 14 -4.079 -9.097 -5.192 1.00 0.00 H new ATOM 0 HA THR A 14 -3.222 -10.983 -3.088 1.00 0.00 H new ATOM 0 HB THR A 14 -4.038 -12.577 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.871 -11.581 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.344 -12.566 -4.092 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.113 -12.477 -2.809 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.005 -11.014 -3.290 1.00 0.00 H new ATOM 201 N CYS A 15 -1.703 -12.374 -4.871 1.00 0.00 N ATOM 202 CA CYS A 15 -0.488 -12.831 -5.535 1.00 0.00 C ATOM 203 C CYS A 15 -0.781 -13.218 -6.986 1.00 0.00 C ATOM 204 O CYS A 15 -1.780 -13.879 -7.267 1.00 0.00 O ATOM 205 CB CYS A 15 0.098 -14.024 -4.780 1.00 0.00 C ATOM 206 SG CYS A 15 1.645 -14.664 -5.467 1.00 0.00 S ATOM 0 H CYS A 15 -2.230 -13.113 -4.405 1.00 0.00 H new ATOM 0 HA CYS A 15 0.237 -12.017 -5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.269 -13.733 -3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.639 -14.827 -4.768 1.00 0.00 H new ATOM 211 N PRO A 16 0.087 -12.809 -7.930 1.00 0.00 N ATOM 212 CA PRO A 16 -0.096 -13.116 -9.354 1.00 0.00 C ATOM 213 C PRO A 16 -0.015 -14.612 -9.647 1.00 0.00 C ATOM 214 O PRO A 16 -0.592 -15.093 -10.623 1.00 0.00 O ATOM 215 CB PRO A 16 1.060 -12.376 -10.036 1.00 0.00 C ATOM 216 CG PRO A 16 2.078 -12.181 -8.966 1.00 0.00 C ATOM 217 CD PRO A 16 1.304 -12.012 -7.690 1.00 0.00 C ATOM 0 HA PRO A 16 -1.082 -12.811 -9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.465 -12.956 -10.865 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.730 -11.421 -10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.750 -13.037 -8.905 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.695 -11.305 -9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.862 -12.378 -6.828 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.069 -10.965 -7.497 1.00 0.00 H new ATOM 225 N ASN A 17 0.705 -15.341 -8.802 1.00 0.00 N ATOM 226 CA ASN A 17 0.862 -16.782 -8.978 1.00 0.00 C ATOM 227 C ASN A 17 0.133 -17.567 -7.886 1.00 0.00 C ATOM 228 O ASN A 17 0.009 -18.789 -7.971 1.00 0.00 O ATOM 229 CB ASN A 17 2.346 -17.154 -8.985 1.00 0.00 C ATOM 230 CG ASN A 17 2.698 -18.106 -10.110 1.00 0.00 C ATOM 231 OD1 ASN A 17 1.827 -18.552 -10.857 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.981 -18.424 -10.237 1.00 0.00 N ATOM 0 H ASN A 17 1.189 -14.960 -7.989 1.00 0.00 H new ATOM 0 HA ASN A 17 0.416 -17.048 -9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.944 -16.248 -9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.608 -17.611 -8.031 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.278 -19.061 -10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.670 -18.031 -9.596 1.00 0.00 H new ATOM 239 N HIS A 18 -0.348 -16.865 -6.862 1.00 0.00 N ATOM 240 CA HIS A 18 -1.062 -17.510 -5.765 1.00 0.00 C ATOM 241 C HIS A 18 -2.412 -16.838 -5.525 1.00 0.00 C ATOM 242 O HIS A 18 -2.540 -15.977 -4.654 1.00 0.00 O ATOM 243 CB HIS A 18 -0.227 -17.470 -4.482 1.00 0.00 C ATOM 244 CG HIS A 18 0.981 -18.352 -4.520 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.238 -17.856 -4.263 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.066 -19.678 -4.773 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.054 -18.894 -4.362 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.388 -20.016 -4.671 1.00 0.00 N ATOM 0 H HIS A 18 -0.256 -15.853 -6.770 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.234 -18.550 -6.043 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.090 -16.443 -4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.855 -17.766 -3.642 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.248 -20.342 -5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.122 -18.843 -4.213 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.790 -20.944 -4.804 1.00 0.00 H new ATOM 256 N PRO A 19 -3.441 -17.225 -6.298 1.00 0.00 N ATOM 257 CA PRO A 19 -4.786 -16.654 -6.164 1.00 0.00 C ATOM 258 C PRO A 19 -5.442 -17.029 -4.839 1.00 0.00 C ATOM 259 O PRO A 19 -6.284 -16.294 -4.322 1.00 0.00 O ATOM 260 CB PRO A 19 -5.556 -17.267 -7.336 1.00 0.00 C ATOM 261 CG PRO A 19 -4.823 -18.523 -7.659 1.00 0.00 C ATOM 262 CD PRO A 19 -3.376 -18.245 -7.360 1.00 0.00 C ATOM 0 HA PRO A 19 -4.769 -15.564 -6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.592 -17.472 -7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.578 -16.591 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.192 -19.356 -7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.960 -18.797 -8.705 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.855 -19.142 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.847 -17.878 -8.239 1.00 0.00 H new ATOM 270 N ASP A 20 -5.052 -18.177 -4.294 1.00 0.00 N ATOM 271 CA ASP A 20 -5.603 -18.647 -3.028 1.00 0.00 C ATOM 272 C ASP A 20 -4.654 -18.340 -1.874 1.00 0.00 C ATOM 273 O ASP A 20 -4.597 -19.077 -0.890 1.00 0.00 O ATOM 274 CB ASP A 20 -5.877 -20.151 -3.094 1.00 0.00 C ATOM 275 CG ASP A 20 -7.035 -20.566 -2.208 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.171 -19.998 -1.103 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.805 -21.460 -2.617 1.00 0.00 O ATOM 0 H ASP A 20 -4.357 -18.798 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.542 -18.122 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.092 -20.434 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.981 -20.694 -2.795 1.00 0.00 H new ATOM 282 N ALA A 21 -3.909 -17.247 -2.004 1.00 0.00 N ATOM 283 CA ALA A 21 -2.961 -16.839 -0.974 1.00 0.00 C ATOM 284 C ALA A 21 -2.744 -15.330 -1.000 1.00 0.00 C ATOM 285 O ALA A 21 -1.761 -14.844 -1.559 1.00 0.00 O ATOM 286 CB ALA A 21 -1.639 -17.568 -1.154 1.00 0.00 C ATOM 0 H ALA A 21 -3.944 -16.627 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.378 -17.105 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.941 -17.253 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.803 -18.643 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.223 -17.331 -2.133 1.00 0.00 H new ATOM 292 N ILE A 22 -3.671 -14.594 -0.395 1.00 0.00 N ATOM 293 CA ILE A 22 -3.584 -13.139 -0.351 1.00 0.00 C ATOM 294 C ILE A 22 -2.399 -12.680 0.496 1.00 0.00 C ATOM 295 O ILE A 22 -2.216 -13.136 1.625 1.00 0.00 O ATOM 296 CB ILE A 22 -4.879 -12.516 0.209 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.809 -10.989 0.146 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.121 -12.983 1.637 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.123 -10.339 -0.235 1.00 0.00 C ATOM 0 H ILE A 22 -4.491 -14.982 0.072 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.441 -12.800 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.716 -12.847 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.492 -10.607 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.046 -10.698 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.039 -12.534 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.215 -14.069 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.283 -12.682 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.000 -9.256 -0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.432 -10.692 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.885 -10.600 0.500 1.00 0.00 H new ATOM 311 N LEU A 23 -1.602 -11.774 -0.059 1.00 0.00 N ATOM 312 CA LEU A 23 -0.435 -11.246 0.640 1.00 0.00 C ATOM 313 C LEU A 23 -0.849 -10.526 1.919 1.00 0.00 C ATOM 314 O LEU A 23 -1.493 -9.478 1.871 1.00 0.00 O ATOM 315 CB LEU A 23 0.336 -10.288 -0.268 1.00 0.00 C ATOM 316 CG LEU A 23 1.451 -10.940 -1.082 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.977 -11.238 -2.497 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.687 -10.055 -1.107 1.00 0.00 C ATOM 0 H LEU A 23 -1.743 -11.389 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 23 0.209 -12.084 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.367 -9.814 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.767 -9.496 0.344 1.00 0.00 H new ATOM 0 HG LEU A 23 1.716 -11.883 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.786 -11.702 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.124 -11.916 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.681 -10.309 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.469 -10.539 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.438 -9.095 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.042 -9.896 -0.089 1.00 0.00 H new ATOM 330 N VAL A 24 -0.472 -11.089 3.062 1.00 0.00 N ATOM 331 CA VAL A 24 -0.801 -10.492 4.351 1.00 0.00 C ATOM 332 C VAL A 24 -0.129 -9.132 4.503 1.00 0.00 C ATOM 333 O VAL A 24 0.836 -8.829 3.804 1.00 0.00 O ATOM 334 CB VAL A 24 -0.375 -11.397 5.522 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.960 -10.889 6.830 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.793 -12.837 5.266 1.00 0.00 C ATOM 0 H VAL A 24 0.061 -11.957 3.122 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.884 -10.371 4.378 1.00 0.00 H new ATOM 0 HB VAL A 24 0.712 -11.368 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.648 -11.541 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.604 -9.876 7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.048 -10.885 6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.483 -13.460 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.876 -12.888 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.320 -13.196 4.352 1.00 0.00 H new ATOM 346 N GLU A 25 -0.645 -8.315 5.417 1.00 0.00 N ATOM 347 CA GLU A 25 -0.088 -6.987 5.651 1.00 0.00 C ATOM 348 C GLU A 25 0.656 -6.930 6.981 1.00 0.00 C ATOM 349 O GLU A 25 0.188 -7.461 7.988 1.00 0.00 O ATOM 350 CB GLU A 25 -1.199 -5.935 5.630 1.00 0.00 C ATOM 351 CG GLU A 25 -2.268 -6.156 6.688 1.00 0.00 C ATOM 352 CD GLU A 25 -3.019 -4.884 7.033 1.00 0.00 C ATOM 353 OE1 GLU A 25 -2.485 -3.788 6.761 1.00 0.00 O ATOM 354 OE2 GLU A 25 -4.140 -4.985 7.574 1.00 0.00 O ATOM 0 H GLU A 25 -1.445 -8.548 6.005 1.00 0.00 H new ATOM 0 HA GLU A 25 0.622 -6.775 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.757 -4.949 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.668 -5.934 4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.975 -6.906 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.804 -6.556 7.590 1.00 0.00 H new ATOM 361 N ASP A 26 1.819 -6.277 6.973 1.00 0.00 N ATOM 362 CA ASP A 26 2.644 -6.137 8.174 1.00 0.00 C ATOM 363 C ASP A 26 2.713 -7.443 8.963 1.00 0.00 C ATOM 364 O ASP A 26 1.852 -7.722 9.797 1.00 0.00 O ATOM 365 CB ASP A 26 2.104 -5.016 9.064 1.00 0.00 C ATOM 366 CG ASP A 26 0.657 -5.235 9.462 1.00 0.00 C ATOM 367 OD1 ASP A 26 -0.238 -4.821 8.697 1.00 0.00 O ATOM 368 OD2 ASP A 26 0.420 -5.823 10.538 1.00 0.00 O ATOM 0 H ASP A 26 2.213 -5.834 6.143 1.00 0.00 H new ATOM 0 HA ASP A 26 3.654 -5.884 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.717 -4.943 9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.193 -4.065 8.539 1.00 0.00 H new ATOM 373 N TYR A 27 3.741 -8.241 8.691 1.00 0.00 N ATOM 374 CA TYR A 27 3.920 -9.515 9.375 1.00 0.00 C ATOM 375 C TYR A 27 5.217 -9.532 10.177 1.00 0.00 C ATOM 376 O TYR A 27 5.202 -9.688 11.398 1.00 0.00 O ATOM 377 CB TYR A 27 3.917 -10.664 8.365 1.00 0.00 C ATOM 378 CG TYR A 27 3.592 -12.008 8.977 1.00 0.00 C ATOM 379 CD1 TYR A 27 4.587 -12.789 9.550 1.00 0.00 C ATOM 380 CD2 TYR A 27 2.292 -12.493 8.982 1.00 0.00 C ATOM 381 CE1 TYR A 27 4.295 -14.018 10.111 1.00 0.00 C ATOM 382 CE2 TYR A 27 1.990 -13.721 9.542 1.00 0.00 C ATOM 383 CZ TYR A 27 2.996 -14.478 10.105 1.00 0.00 C ATOM 384 OH TYR A 27 2.700 -15.701 10.662 1.00 0.00 O ATOM 0 H TYR A 27 4.462 -8.027 8.002 1.00 0.00 H new ATOM 0 HA TYR A 27 3.088 -9.644 10.067 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.191 -10.446 7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.895 -10.719 7.887 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.606 -12.430 9.557 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.503 -11.902 8.541 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.080 -14.614 10.551 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.973 -14.085 9.538 1.00 0.00 H new ATOM 0 HH TYR A 27 1.740 -15.876 10.576 1.00 0.00 H new ATOM 394 N ARG A 28 6.340 -9.375 9.482 1.00 0.00 N ATOM 395 CA ARG A 28 7.647 -9.376 10.132 1.00 0.00 C ATOM 396 C ARG A 28 8.562 -8.315 9.538 1.00 0.00 C ATOM 397 O ARG A 28 9.784 -8.387 9.662 1.00 0.00 O ATOM 398 CB ARG A 28 8.294 -10.748 9.994 1.00 0.00 C ATOM 399 CG ARG A 28 8.935 -11.256 11.274 1.00 0.00 C ATOM 400 CD ARG A 28 10.110 -10.388 11.692 1.00 0.00 C ATOM 401 NE ARG A 28 10.606 -10.741 13.021 1.00 0.00 N ATOM 402 CZ ARG A 28 11.567 -10.073 13.655 1.00 0.00 C ATOM 403 NH1 ARG A 28 12.137 -9.017 13.088 1.00 0.00 N ATOM 404 NH2 ARG A 28 11.959 -10.461 14.860 1.00 0.00 N ATOM 0 H ARG A 28 6.371 -9.246 8.471 1.00 0.00 H new ATOM 0 HA ARG A 28 7.498 -9.145 11.187 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.540 -11.464 9.668 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.052 -10.705 9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.192 -11.273 12.072 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.273 -12.282 11.130 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.915 -10.493 10.965 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.808 -9.341 11.684 1.00 0.00 H new ATOM 0 HE ARG A 28 10.191 -11.546 13.490 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.839 -8.713 12.161 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.873 -8.509 13.579 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.524 -11.271 15.301 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.695 -9.949 15.346 1.00 0.00 H new ATOM 418 N ALA A 29 7.955 -7.338 8.895 1.00 0.00 N ATOM 419 CA ALA A 29 8.696 -6.248 8.272 1.00 0.00 C ATOM 420 C ALA A 29 7.858 -4.978 8.207 1.00 0.00 C ATOM 421 O ALA A 29 8.338 -3.887 8.514 1.00 0.00 O ATOM 422 CB ALA A 29 9.158 -6.652 6.880 1.00 0.00 C ATOM 0 H ALA A 29 6.943 -7.272 8.787 1.00 0.00 H new ATOM 0 HA ALA A 29 9.571 -6.040 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.710 -5.829 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.804 -7.527 6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.291 -6.890 6.264 1.00 0.00 H new ATOM 428 N GLY A 30 6.602 -5.127 7.805 1.00 0.00 N ATOM 429 CA GLY A 30 5.712 -3.986 7.705 1.00 0.00 C ATOM 430 C GLY A 30 4.933 -3.970 6.405 1.00 0.00 C ATOM 431 O GLY A 30 3.762 -3.592 6.379 1.00 0.00 O ATOM 0 H GLY A 30 6.183 -6.020 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.015 -3.999 8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.293 -3.068 7.788 1.00 0.00 H new ATOM 435 N ASP A 31 5.586 -4.383 5.323 1.00 0.00 N ATOM 436 CA ASP A 31 4.949 -4.416 4.013 1.00 0.00 C ATOM 437 C ASP A 31 4.119 -5.684 3.845 1.00 0.00 C ATOM 438 O ASP A 31 3.881 -6.414 4.808 1.00 0.00 O ATOM 439 CB ASP A 31 6.003 -4.330 2.907 1.00 0.00 C ATOM 440 CG ASP A 31 7.008 -3.221 3.152 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.588 -2.049 3.242 1.00 0.00 O ATOM 442 OD2 ASP A 31 8.215 -3.526 3.253 1.00 0.00 O ATOM 0 H ASP A 31 6.556 -4.699 5.329 1.00 0.00 H new ATOM 0 HA ASP A 31 4.284 -3.556 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.528 -5.283 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.509 -4.164 1.950 1.00 0.00 H new ATOM 447 N MET A 32 3.680 -5.943 2.617 1.00 0.00 N ATOM 448 CA MET A 32 2.875 -7.123 2.328 1.00 0.00 C ATOM 449 C MET A 32 3.763 -8.343 2.099 1.00 0.00 C ATOM 450 O MET A 32 4.929 -8.210 1.729 1.00 0.00 O ATOM 451 CB MET A 32 1.996 -6.881 1.100 1.00 0.00 C ATOM 452 CG MET A 32 1.282 -5.540 1.117 1.00 0.00 C ATOM 453 SD MET A 32 -0.414 -5.648 0.512 1.00 0.00 S ATOM 454 CE MET A 32 -0.139 -5.705 -1.257 1.00 0.00 C ATOM 0 H MET A 32 3.868 -5.352 1.807 1.00 0.00 H new ATOM 0 HA MET A 32 2.236 -7.315 3.190 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.613 -6.943 0.204 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.255 -7.677 1.032 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.276 -5.149 2.134 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.837 -4.829 0.505 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.774 -4.967 -1.748 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.907 -5.483 -1.470 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.382 -6.699 -1.631 1.00 0.00 H new ATOM 464 N ILE A 33 3.203 -9.529 2.318 1.00 0.00 N ATOM 465 CA ILE A 33 3.948 -10.769 2.132 1.00 0.00 C ATOM 466 C ILE A 33 3.016 -11.924 1.771 1.00 0.00 C ATOM 467 O ILE A 33 1.929 -12.049 2.331 1.00 0.00 O ATOM 468 CB ILE A 33 4.752 -11.138 3.397 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.632 -12.363 3.137 1.00 0.00 C ATOM 470 CG2 ILE A 33 3.815 -11.389 4.570 1.00 0.00 C ATOM 471 CD1 ILE A 33 7.097 -12.028 2.959 1.00 0.00 C ATOM 0 H ILE A 33 2.238 -9.657 2.624 1.00 0.00 H new ATOM 0 HA ILE A 33 4.643 -10.601 1.309 1.00 0.00 H new ATOM 0 HB ILE A 33 5.401 -10.299 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.525 -13.060 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.274 -12.875 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.399 -11.648 5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.234 -10.489 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.140 -12.210 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.660 -12.944 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.216 -11.355 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.472 -11.543 3.861 1.00 0.00 H new ATOM 483 N CYS A 34 3.443 -12.767 0.831 1.00 0.00 N ATOM 484 CA CYS A 34 2.633 -13.903 0.405 1.00 0.00 C ATOM 485 C CYS A 34 3.002 -15.164 1.184 1.00 0.00 C ATOM 486 O CYS A 34 4.132 -15.640 1.104 1.00 0.00 O ATOM 487 CB CYS A 34 2.820 -14.143 -1.089 1.00 0.00 C ATOM 488 SG CYS A 34 1.814 -15.483 -1.767 1.00 0.00 S ATOM 0 H CYS A 34 4.340 -12.684 0.354 1.00 0.00 H new ATOM 0 HA CYS A 34 1.587 -13.671 0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.584 -13.223 -1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.870 -14.363 -1.280 1.00 0.00 H new ATOM 493 N PRO A 35 2.052 -15.728 1.949 1.00 0.00 N ATOM 494 CA PRO A 35 2.297 -16.939 2.739 1.00 0.00 C ATOM 495 C PRO A 35 2.809 -18.101 1.892 1.00 0.00 C ATOM 496 O PRO A 35 3.392 -19.051 2.416 1.00 0.00 O ATOM 497 CB PRO A 35 0.923 -17.274 3.326 1.00 0.00 C ATOM 498 CG PRO A 35 0.175 -15.985 3.312 1.00 0.00 C ATOM 499 CD PRO A 35 0.671 -15.236 2.108 1.00 0.00 C ATOM 0 HA PRO A 35 3.069 -16.776 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.414 -18.033 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.011 -17.668 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.900 -16.157 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.355 -15.419 4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.065 -15.445 1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.643 -14.158 2.265 1.00 0.00 H new ATOM 507 N GLU A 36 2.585 -18.029 0.582 1.00 0.00 N ATOM 508 CA GLU A 36 3.024 -19.085 -0.323 1.00 0.00 C ATOM 509 C GLU A 36 4.455 -18.850 -0.809 1.00 0.00 C ATOM 510 O GLU A 36 5.401 -19.413 -0.258 1.00 0.00 O ATOM 511 CB GLU A 36 2.070 -19.196 -1.514 1.00 0.00 C ATOM 512 CG GLU A 36 0.678 -19.675 -1.135 1.00 0.00 C ATOM 513 CD GLU A 36 0.592 -21.184 -1.020 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.452 -21.851 -2.067 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.664 -21.698 0.116 1.00 0.00 O ATOM 0 H GLU A 36 2.104 -17.254 0.126 1.00 0.00 H new ATOM 0 HA GLU A 36 3.011 -20.023 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.991 -18.222 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.495 -19.882 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.389 -19.225 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.037 -19.330 -1.882 1.00 0.00 H new ATOM 522 N CYS A 37 4.616 -18.025 -1.845 1.00 0.00 N ATOM 523 CA CYS A 37 5.943 -17.743 -2.386 1.00 0.00 C ATOM 524 C CYS A 37 6.778 -16.907 -1.419 1.00 0.00 C ATOM 525 O CYS A 37 7.989 -16.777 -1.594 1.00 0.00 O ATOM 526 CB CYS A 37 5.854 -17.023 -3.737 1.00 0.00 C ATOM 527 SG CYS A 37 4.923 -15.477 -3.716 1.00 0.00 S ATOM 0 H CYS A 37 3.852 -17.546 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 37 6.433 -18.706 -2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.865 -16.816 -4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.395 -17.696 -4.461 1.00 0.00 H new ATOM 532 N GLY A 38 6.133 -16.337 -0.406 1.00 0.00 N ATOM 533 CA GLY A 38 6.854 -15.520 0.552 1.00 0.00 C ATOM 534 C GLY A 38 7.525 -14.335 -0.108 1.00 0.00 C ATOM 535 O GLY A 38 8.738 -14.158 0.002 1.00 0.00 O ATOM 0 H GLY A 38 5.132 -16.425 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.165 -15.166 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.605 -16.129 1.055 1.00 0.00 H new ATOM 539 N LEU A 39 6.733 -13.518 -0.797 1.00 0.00 N ATOM 540 CA LEU A 39 7.266 -12.344 -1.477 1.00 0.00 C ATOM 541 C LEU A 39 6.927 -11.080 -0.699 1.00 0.00 C ATOM 542 O LEU A 39 6.257 -11.143 0.330 1.00 0.00 O ATOM 543 CB LEU A 39 6.728 -12.266 -2.915 1.00 0.00 C ATOM 544 CG LEU A 39 5.403 -11.514 -3.096 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.638 -10.185 -3.797 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.409 -12.359 -3.878 1.00 0.00 C ATOM 0 H LEU A 39 5.726 -13.647 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 39 8.351 -12.431 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.483 -11.788 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.601 -13.281 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 39 4.983 -11.316 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.688 -9.664 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.314 -9.573 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.081 -10.364 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.476 -11.808 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.821 -12.589 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.217 -13.287 -3.339 1.00 0.00 H new ATOM 558 N VAL A 40 7.396 -9.938 -1.188 1.00 0.00 N ATOM 559 CA VAL A 40 7.139 -8.667 -0.524 1.00 0.00 C ATOM 560 C VAL A 40 6.623 -7.621 -1.505 1.00 0.00 C ATOM 561 O VAL A 40 7.350 -7.175 -2.392 1.00 0.00 O ATOM 562 CB VAL A 40 8.407 -8.127 0.164 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.076 -6.914 1.018 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.065 -9.214 1.000 1.00 0.00 C ATOM 0 H VAL A 40 7.954 -9.867 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 40 6.375 -8.857 0.230 1.00 0.00 H new ATOM 0 HB VAL A 40 9.112 -7.817 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.984 -6.547 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.655 -6.130 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.351 -7.194 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.959 -8.814 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.368 -9.558 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.341 -10.050 0.358 1.00 0.00 H new ATOM 574 N VAL A 41 5.365 -7.233 -1.335 1.00 0.00 N ATOM 575 CA VAL A 41 4.748 -6.236 -2.202 1.00 0.00 C ATOM 576 C VAL A 41 4.634 -4.890 -1.496 1.00 0.00 C ATOM 577 O VAL A 41 4.197 -4.814 -0.347 1.00 0.00 O ATOM 578 CB VAL A 41 3.347 -6.680 -2.665 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.779 -5.698 -3.680 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.402 -8.084 -3.243 1.00 0.00 C ATOM 0 H VAL A 41 4.752 -7.594 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 41 5.394 -6.134 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 41 2.684 -6.691 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.789 -6.031 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.703 -4.710 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.437 -5.650 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.405 -8.384 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.080 -8.100 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.761 -8.777 -2.482 1.00 0.00 H new ATOM 590 N GLY A 42 5.030 -3.828 -2.192 1.00 0.00 N ATOM 591 CA GLY A 42 4.963 -2.498 -1.616 1.00 0.00 C ATOM 592 C GLY A 42 6.156 -2.185 -0.736 1.00 0.00 C ATOM 593 O GLY A 42 6.923 -3.078 -0.377 1.00 0.00 O ATOM 0 H GLY A 42 5.396 -3.865 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.904 -1.761 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.049 -2.405 -1.029 1.00 0.00 H new ATOM 597 N ASP A 43 6.313 -0.912 -0.388 1.00 0.00 N ATOM 598 CA ASP A 43 7.422 -0.482 0.456 1.00 0.00 C ATOM 599 C ASP A 43 7.244 0.969 0.890 1.00 0.00 C ATOM 600 O ASP A 43 7.796 1.883 0.275 1.00 0.00 O ATOM 601 CB ASP A 43 8.749 -0.646 -0.286 1.00 0.00 C ATOM 602 CG ASP A 43 9.865 -1.120 0.624 1.00 0.00 C ATOM 603 OD1 ASP A 43 9.896 -0.693 1.797 1.00 0.00 O ATOM 604 OD2 ASP A 43 10.708 -1.919 0.164 1.00 0.00 O ATOM 0 H ASP A 43 5.687 -0.161 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 43 7.433 -1.110 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.621 -1.359 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.031 0.306 -0.736 1.00 0.00 H new ATOM 609 N ARG A 44 6.474 1.175 1.953 1.00 0.00 N ATOM 610 CA ARG A 44 6.226 2.516 2.470 1.00 0.00 C ATOM 611 C ARG A 44 6.469 2.573 3.975 1.00 0.00 C ATOM 612 O ARG A 44 5.543 2.408 4.769 1.00 0.00 O ATOM 613 CB ARG A 44 4.796 2.956 2.155 1.00 0.00 C ATOM 614 CG ARG A 44 3.746 1.906 2.487 1.00 0.00 C ATOM 615 CD ARG A 44 2.766 2.399 3.542 1.00 0.00 C ATOM 616 NE ARG A 44 1.423 2.588 2.996 1.00 0.00 N ATOM 617 CZ ARG A 44 1.023 3.693 2.370 1.00 0.00 C ATOM 618 NH1 ARG A 44 1.858 4.711 2.201 1.00 0.00 N ATOM 619 NH2 ARG A 44 -0.217 3.779 1.908 1.00 0.00 N ATOM 0 H ARG A 44 6.011 0.430 2.474 1.00 0.00 H new ATOM 0 HA ARG A 44 6.921 3.198 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.575 3.867 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.727 3.204 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.201 1.638 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.238 1.000 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.726 1.683 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.124 3.341 3.958 1.00 0.00 H new ATOM 0 HE ARG A 44 0.752 1.827 3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.814 4.650 2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.544 5.554 1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.863 2.999 2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.525 4.625 1.428 1.00 0.00 H new ATOM 633 N VAL A 45 7.718 2.809 4.358 1.00 0.00 N ATOM 634 CA VAL A 45 8.085 2.890 5.766 1.00 0.00 C ATOM 635 C VAL A 45 9.050 4.046 6.014 1.00 0.00 C ATOM 636 O VAL A 45 10.023 3.913 6.757 1.00 0.00 O ATOM 637 CB VAL A 45 8.724 1.573 6.256 1.00 0.00 C ATOM 638 CG1 VAL A 45 10.015 1.288 5.503 1.00 0.00 C ATOM 639 CG2 VAL A 45 8.973 1.621 7.757 1.00 0.00 C ATOM 0 H VAL A 45 8.495 2.948 3.712 1.00 0.00 H new ATOM 0 HA VAL A 45 7.167 3.065 6.328 1.00 0.00 H new ATOM 0 HB VAL A 45 8.027 0.760 6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.449 0.355 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.803 1.201 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.720 2.103 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.424 0.683 8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.647 2.446 7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.027 1.768 8.278 1.00 0.00 H new ATOM 649 N ILE A 46 8.772 5.183 5.385 1.00 0.00 N ATOM 650 CA ILE A 46 9.613 6.365 5.534 1.00 0.00 C ATOM 651 C ILE A 46 9.086 7.280 6.635 1.00 0.00 C ATOM 652 O ILE A 46 8.765 8.444 6.392 1.00 0.00 O ATOM 653 CB ILE A 46 9.703 7.159 4.215 1.00 0.00 C ATOM 654 CG1 ILE A 46 10.052 6.226 3.052 1.00 0.00 C ATOM 655 CG2 ILE A 46 10.732 8.273 4.336 1.00 0.00 C ATOM 656 CD1 ILE A 46 9.135 6.382 1.856 1.00 0.00 C ATOM 0 H ILE A 46 7.971 5.311 4.767 1.00 0.00 H new ATOM 0 HA ILE A 46 10.609 6.014 5.806 1.00 0.00 H new ATOM 0 HB ILE A 46 8.731 7.609 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.079 6.416 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.010 5.194 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.784 8.824 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.442 8.951 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.709 7.843 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.441 5.691 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.109 6.163 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.194 7.404 1.483 1.00 0.00 H new ATOM 668 N ASP A 47 9.000 6.746 7.849 1.00 0.00 N ATOM 669 CA ASP A 47 8.512 7.514 8.988 1.00 0.00 C ATOM 670 C ASP A 47 9.591 8.460 9.508 1.00 0.00 C ATOM 671 O ASP A 47 10.446 8.066 10.302 1.00 0.00 O ATOM 672 CB ASP A 47 8.061 6.575 10.108 1.00 0.00 C ATOM 673 CG ASP A 47 6.997 7.197 10.991 1.00 0.00 C ATOM 674 OD1 ASP A 47 7.363 7.853 11.991 1.00 0.00 O ATOM 675 OD2 ASP A 47 5.798 7.030 10.685 1.00 0.00 O ATOM 0 H ASP A 47 9.262 5.785 8.069 1.00 0.00 H new ATOM 0 HA ASP A 47 7.661 8.108 8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.675 5.654 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.922 6.302 10.718 1.00 0.00 H new ATOM 680 N VAL A 48 9.546 9.708 9.054 1.00 0.00 N ATOM 681 CA VAL A 48 10.516 10.708 9.469 1.00 0.00 C ATOM 682 C VAL A 48 9.966 11.575 10.597 1.00 0.00 C ATOM 683 O VAL A 48 10.315 12.749 10.717 1.00 0.00 O ATOM 684 CB VAL A 48 10.924 11.616 8.294 1.00 0.00 C ATOM 685 CG1 VAL A 48 11.994 10.946 7.446 1.00 0.00 C ATOM 686 CG2 VAL A 48 9.714 11.987 7.446 1.00 0.00 C ATOM 0 H VAL A 48 8.845 10.049 8.397 1.00 0.00 H new ATOM 0 HA VAL A 48 11.393 10.167 9.824 1.00 0.00 H new ATOM 0 HB VAL A 48 11.340 12.536 8.705 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.269 11.603 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 48 12.873 10.747 8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.608 10.007 7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.029 12.629 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.259 11.081 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.987 12.517 8.061 1.00 0.00 H new ATOM 696 N GLY A 49 9.105 10.988 11.422 1.00 0.00 N ATOM 697 CA GLY A 49 8.521 11.722 12.530 1.00 0.00 C ATOM 698 C GLY A 49 7.122 12.220 12.224 1.00 0.00 C ATOM 699 O GLY A 49 6.136 11.602 12.623 1.00 0.00 O ATOM 0 H GLY A 49 8.801 10.017 11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.490 11.080 13.411 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.159 12.570 12.776 1.00 0.00 H new ATOM 703 N SER A 50 7.037 13.340 11.513 1.00 0.00 N ATOM 704 CA SER A 50 5.748 13.920 11.155 1.00 0.00 C ATOM 705 C SER A 50 5.899 14.910 10.004 1.00 0.00 C ATOM 706 O SER A 50 6.925 15.576 9.876 1.00 0.00 O ATOM 707 CB SER A 50 5.123 14.616 12.368 1.00 0.00 C ATOM 708 OG SER A 50 3.936 13.959 12.776 1.00 0.00 O ATOM 0 H SER A 50 7.844 13.863 11.174 1.00 0.00 H new ATOM 0 HA SER A 50 5.090 13.113 10.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.837 14.629 13.192 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.902 15.654 12.122 1.00 0.00 H new ATOM 0 HG SER A 50 3.557 14.421 13.553 1.00 0.00 H new ATOM 714 N GLU A 51 4.869 15.000 9.168 1.00 0.00 N ATOM 715 CA GLU A 51 4.888 15.908 8.028 1.00 0.00 C ATOM 716 C GLU A 51 3.519 16.549 7.819 1.00 0.00 C ATOM 717 O GLU A 51 3.410 17.759 7.630 1.00 0.00 O ATOM 718 CB GLU A 51 5.318 15.163 6.762 1.00 0.00 C ATOM 719 CG GLU A 51 6.606 15.692 6.153 1.00 0.00 C ATOM 720 CD GLU A 51 6.572 15.704 4.637 1.00 0.00 C ATOM 721 OE1 GLU A 51 5.942 14.797 4.051 1.00 0.00 O ATOM 722 OE2 GLU A 51 7.176 16.616 4.036 1.00 0.00 O ATOM 0 H GLU A 51 4.012 14.455 9.259 1.00 0.00 H new ATOM 0 HA GLU A 51 5.609 16.698 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.444 14.106 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.521 15.231 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.787 16.703 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.442 15.078 6.489 1.00 0.00 H new ATOM 729 N TRP A 52 2.481 15.724 7.855 1.00 0.00 N ATOM 730 CA TRP A 52 1.115 16.203 7.672 1.00 0.00 C ATOM 731 C TRP A 52 0.304 16.041 8.953 1.00 0.00 C ATOM 732 O TRP A 52 -0.910 15.841 8.909 1.00 0.00 O ATOM 733 CB TRP A 52 0.439 15.448 6.527 1.00 0.00 C ATOM 734 CG TRP A 52 0.517 13.959 6.669 1.00 0.00 C ATOM 735 CD1 TRP A 52 1.578 13.159 6.352 1.00 0.00 C ATOM 736 CD2 TRP A 52 -0.507 13.090 7.165 1.00 0.00 C ATOM 737 NE1 TRP A 52 1.275 11.846 6.620 1.00 0.00 N ATOM 738 CE2 TRP A 52 0.002 11.777 7.120 1.00 0.00 C ATOM 739 CE3 TRP A 52 -1.805 13.293 7.643 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -0.743 10.676 7.534 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -2.542 12.197 8.054 1.00 0.00 C ATOM 742 CH2 TRP A 52 -2.010 10.904 7.998 1.00 0.00 C ATOM 0 H TRP A 52 2.558 14.719 8.009 1.00 0.00 H new ATOM 0 HA TRP A 52 1.158 17.264 7.424 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.608 15.746 6.473 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.903 15.741 5.585 1.00 0.00 H new ATOM 0 HD1 TRP A 52 2.518 13.508 5.950 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.897 11.052 6.471 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.224 14.287 7.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.335 9.677 7.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.546 12.342 8.425 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.611 10.070 8.327 1.00 0.00 H new ATOM 753 N ARG A 53 0.983 16.126 10.093 1.00 0.00 N ATOM 754 CA ARG A 53 0.324 15.988 11.387 1.00 0.00 C ATOM 755 C ARG A 53 0.344 17.309 12.152 1.00 0.00 C ATOM 756 O ARG A 53 -0.596 17.632 12.877 1.00 0.00 O ATOM 757 CB ARG A 53 1.002 14.893 12.213 1.00 0.00 C ATOM 758 CG ARG A 53 0.058 13.778 12.637 1.00 0.00 C ATOM 759 CD ARG A 53 -0.580 13.102 11.435 1.00 0.00 C ATOM 760 NE ARG A 53 0.136 11.891 11.043 1.00 0.00 N ATOM 761 CZ ARG A 53 0.005 10.719 11.660 1.00 0.00 C ATOM 762 NH1 ARG A 53 -0.813 10.597 12.699 1.00 0.00 N ATOM 763 NH2 ARG A 53 0.693 9.667 11.239 1.00 0.00 N ATOM 0 H ARG A 53 1.988 16.290 10.147 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.715 15.709 11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.819 14.465 11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.444 15.342 13.103 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.605 13.040 13.223 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.720 14.185 13.283 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.615 12.852 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.601 13.798 10.596 1.00 0.00 H new ATOM 0 HE ARG A 53 0.774 11.947 10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.344 11.403 13.027 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.910 9.697 13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.323 9.755 10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.592 8.769 11.712 1.00 0.00 H new ATOM 777 N THR A 54 1.422 18.069 11.984 1.00 0.00 N ATOM 778 CA THR A 54 1.564 19.354 12.658 1.00 0.00 C ATOM 779 C THR A 54 1.066 20.490 11.770 1.00 0.00 C ATOM 780 O THR A 54 0.568 20.259 10.668 1.00 0.00 O ATOM 781 CB THR A 54 3.024 19.593 13.042 1.00 0.00 C ATOM 782 OG1 THR A 54 3.895 18.983 12.106 1.00 0.00 O ATOM 783 CG2 THR A 54 3.378 19.061 14.413 1.00 0.00 C ATOM 0 H THR A 54 2.210 17.817 11.387 1.00 0.00 H new ATOM 0 HA THR A 54 0.957 19.332 13.563 1.00 0.00 H new ATOM 0 HB THR A 54 3.147 20.676 13.048 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.825 19.149 12.368 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.428 19.264 14.622 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.758 19.550 15.164 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.204 17.985 14.442 1.00 0.00 H new ATOM 791 N PHE A 55 1.205 21.719 12.257 1.00 0.00 N ATOM 792 CA PHE A 55 0.770 22.892 11.508 1.00 0.00 C ATOM 793 C PHE A 55 1.833 23.322 10.503 1.00 0.00 C ATOM 794 O PHE A 55 1.522 23.666 9.363 1.00 0.00 O ATOM 795 CB PHE A 55 0.458 24.046 12.463 1.00 0.00 C ATOM 796 CG PHE A 55 -0.370 25.134 11.840 1.00 0.00 C ATOM 797 CD1 PHE A 55 -1.754 25.075 11.874 1.00 0.00 C ATOM 798 CD2 PHE A 55 0.236 26.214 11.219 1.00 0.00 C ATOM 799 CE1 PHE A 55 -2.519 26.075 11.302 1.00 0.00 C ATOM 800 CE2 PHE A 55 -0.523 27.216 10.645 1.00 0.00 C ATOM 801 CZ PHE A 55 -1.902 27.146 10.686 1.00 0.00 C ATOM 0 H PHE A 55 1.615 21.928 13.167 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.135 22.627 10.961 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.068 23.654 13.334 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.394 24.473 12.822 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.241 24.238 12.353 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.314 26.273 11.183 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.597 26.019 11.337 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.038 28.053 10.165 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.497 27.928 10.237 1.00 0.00 H new ATOM 811 N SER A 56 3.091 23.299 10.933 1.00 0.00 N ATOM 812 CA SER A 56 4.201 23.686 10.071 1.00 0.00 C ATOM 813 C SER A 56 4.054 25.134 9.613 1.00 0.00 C ATOM 814 O SER A 56 3.007 25.752 9.800 1.00 0.00 O ATOM 815 CB SER A 56 4.277 22.760 8.856 1.00 0.00 C ATOM 816 OG SER A 56 4.615 21.440 9.242 1.00 0.00 O ATOM 0 H SER A 56 3.366 23.016 11.874 1.00 0.00 H new ATOM 0 HA SER A 56 5.123 23.597 10.645 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.318 22.756 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.019 23.138 8.153 1.00 0.00 H new ATOM 0 HG SER A 56 4.656 20.867 8.448 1.00 0.00 H new ATOM 822 N ASN A 57 5.112 25.669 9.012 1.00 0.00 N ATOM 823 CA ASN A 57 5.103 27.044 8.527 1.00 0.00 C ATOM 824 C ASN A 57 5.538 27.109 7.066 1.00 0.00 C ATOM 825 O ASN A 57 6.555 26.530 6.685 1.00 0.00 O ATOM 826 CB ASN A 57 6.021 27.916 9.387 1.00 0.00 C ATOM 827 CG ASN A 57 5.340 29.189 9.852 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.331 29.504 11.042 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.762 29.928 8.911 1.00 0.00 N ATOM 0 H ASN A 57 5.987 25.171 8.849 1.00 0.00 H new ATOM 0 HA ASN A 57 4.083 27.422 8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.351 27.346 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.914 28.172 8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.287 30.794 9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.794 29.629 7.936 1.00 0.00 H new ATOM 836 N ASP A 58 4.761 27.818 6.253 1.00 0.00 N ATOM 837 CA ASP A 58 5.067 27.957 4.834 1.00 0.00 C ATOM 838 C ASP A 58 5.748 29.292 4.553 1.00 0.00 C ATOM 839 O ASP A 58 6.706 29.362 3.783 1.00 0.00 O ATOM 840 CB ASP A 58 3.789 27.838 4.002 1.00 0.00 C ATOM 841 CG ASP A 58 4.074 27.745 2.515 1.00 0.00 C ATOM 842 OD1 ASP A 58 5.194 27.331 2.150 1.00 0.00 O ATOM 843 OD2 ASP A 58 3.176 28.088 1.716 1.00 0.00 O ATOM 0 H ASP A 58 3.916 28.304 6.552 1.00 0.00 H new ATOM 0 HA ASP A 58 5.750 27.155 4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.233 26.955 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.152 28.701 4.194 1.00 0.00 H new ATOM 848 N LYS A 59 5.245 30.351 5.180 1.00 0.00 N ATOM 849 CA LYS A 59 5.806 31.685 4.996 1.00 0.00 C ATOM 850 C LYS A 59 5.358 32.622 6.112 1.00 0.00 C ATOM 851 O LYS A 59 4.981 32.177 7.197 1.00 0.00 O ATOM 852 CB LYS A 59 5.390 32.251 3.636 1.00 0.00 C ATOM 853 CG LYS A 59 6.530 32.909 2.877 1.00 0.00 C ATOM 854 CD LYS A 59 6.423 32.656 1.382 1.00 0.00 C ATOM 855 CE LYS A 59 6.843 31.239 1.026 1.00 0.00 C ATOM 856 NZ LYS A 59 5.705 30.283 1.115 1.00 0.00 N ATOM 857 OXT LYS A 59 5.376 34.036 5.897 1.00 0.00 O ATOM 0 H LYS A 59 4.451 30.311 5.819 1.00 0.00 H new ATOM 0 HA LYS A 59 6.893 31.605 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.976 31.446 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.594 32.981 3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.523 33.982 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.482 32.526 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.397 32.825 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.050 33.368 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.251 31.225 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.640 30.918 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.773 29.589 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.738 29.788 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.808 30.803 1.035 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.668 -15.934 -3.843 1.00 0.00 ZN