USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 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 139 HIS HD1 : A 139 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD NoAdj-H: A 173 HIS HD1 : A 173 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 153:sc= -0.0398 (180deg=-0.405) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.9!) USER MOD Single : A 166 GLN : amide:sc= -0.0691 X(o=-0.069,f=0) USER MOD Single : A 167 THR OG1 : rot 83:sc= 0.767 USER MOD Single : A 170 TYR OH : rot 180:sc= -0.638 USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 177 SER OG : rot 180:sc= -0.0509 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 180:sc= 0 USER MOD Single : A 183 MET CE :methyl 166:sc= 0 (180deg=-0.464) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 2.326 -12.590 7.561 1.00 0.00 N ATOM 2 CA LEU A 136 2.586 -12.976 6.144 1.00 0.00 C ATOM 3 C LEU A 136 1.449 -13.868 5.644 1.00 0.00 C ATOM 4 O LEU A 136 1.373 -15.036 5.978 1.00 0.00 O ATOM 5 CB LEU A 136 3.909 -13.739 6.058 1.00 0.00 C ATOM 6 CG LEU A 136 4.289 -13.940 4.590 1.00 0.00 C ATOM 7 CD1 LEU A 136 4.847 -12.632 4.024 1.00 0.00 C ATOM 8 CD2 LEU A 136 5.353 -15.035 4.486 1.00 0.00 C ATOM 0 HA LEU A 136 2.644 -12.079 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.694 -13.187 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.817 -14.704 6.556 1.00 0.00 H new ATOM 0 HG LEU A 136 3.406 -14.234 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.118 -12.775 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.091 -11.851 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.730 -12.338 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 136 5.625 -15.180 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 136 6.236 -14.740 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.957 -15.967 4.890 1.00 0.00 H new ATOM 22 N THR A 137 0.567 -13.325 4.845 1.00 0.00 N ATOM 23 CA THR A 137 -0.570 -14.135 4.315 1.00 0.00 C ATOM 24 C THR A 137 -0.737 -13.868 2.817 1.00 0.00 C ATOM 25 O THR A 137 -0.725 -14.782 2.014 1.00 0.00 O ATOM 26 CB THR A 137 -1.857 -13.747 5.049 1.00 0.00 C ATOM 27 OG1 THR A 137 -1.551 -13.418 6.397 1.00 0.00 O ATOM 28 CG2 THR A 137 -2.837 -14.919 5.017 1.00 0.00 C ATOM 0 H THR A 137 0.586 -12.353 4.536 1.00 0.00 H new ATOM 0 HA THR A 137 -0.365 -15.194 4.473 1.00 0.00 H new ATOM 0 HB THR A 137 -2.310 -12.885 4.559 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.374 -13.168 6.868 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.753 -14.642 5.540 1.00 0.00 H new ATOM 0 HG22 THR A 137 -3.071 -15.169 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 137 -2.387 -15.783 5.506 1.00 0.00 H new ATOM 36 N THR A 138 -0.895 -12.624 2.439 1.00 0.00 N ATOM 37 CA THR A 138 -1.065 -12.295 0.992 1.00 0.00 C ATOM 38 C THR A 138 -0.618 -10.854 0.729 1.00 0.00 C ATOM 39 O THR A 138 -0.376 -10.091 1.646 1.00 0.00 O ATOM 40 CB THR A 138 -2.538 -12.444 0.604 1.00 0.00 C ATOM 41 OG1 THR A 138 -3.354 -11.947 1.657 1.00 0.00 O ATOM 42 CG2 THR A 138 -2.858 -13.919 0.362 1.00 0.00 C ATOM 0 H THR A 138 -0.913 -11.823 3.070 1.00 0.00 H new ATOM 0 HA THR A 138 -0.456 -12.976 0.398 1.00 0.00 H new ATOM 0 HB THR A 138 -2.733 -11.879 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 138 -4.298 -12.039 1.411 1.00 0.00 H new ATOM 0 HG21 THR A 138 -3.907 -14.023 0.086 1.00 0.00 H new ATOM 0 HG22 THR A 138 -2.231 -14.300 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.664 -14.487 1.272 1.00 0.00 H new ATOM 50 N HIS A 139 -0.504 -10.484 -0.522 1.00 0.00 N ATOM 51 CA HIS A 139 -0.068 -9.092 -0.872 1.00 0.00 C ATOM 52 C HIS A 139 1.347 -8.865 -0.333 1.00 0.00 C ATOM 53 O HIS A 139 2.031 -9.793 0.055 1.00 0.00 O ATOM 54 CB HIS A 139 -1.033 -8.073 -0.243 1.00 0.00 C ATOM 55 CG HIS A 139 -1.882 -7.387 -1.295 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.551 -7.344 -2.672 1.00 0.00 N ATOM 57 CD2 HIS A 139 -3.066 -6.707 -1.176 1.00 0.00 C ATOM 58 CE1 HIS A 139 -2.543 -6.659 -3.273 1.00 0.00 C ATOM 59 NE2 HIS A 139 -3.472 -6.258 -2.402 1.00 0.00 N ATOM 0 H HIS A 139 -0.695 -11.088 -1.322 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.075 -8.965 -1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.679 -8.578 0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.464 -7.326 0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.600 -6.549 -0.250 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.582 -6.458 -4.333 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -4.316 -5.724 -2.610 1.00 0.00 H new ATOM 67 N ASN A 140 1.782 -7.634 -0.303 1.00 0.00 N ATOM 68 CA ASN A 140 3.144 -7.320 0.209 1.00 0.00 C ATOM 69 C ASN A 140 3.184 -5.848 0.613 1.00 0.00 C ATOM 70 O ASN A 140 2.599 -5.007 -0.044 1.00 0.00 O ATOM 71 CB ASN A 140 4.182 -7.585 -0.885 1.00 0.00 C ATOM 72 CG ASN A 140 5.470 -8.113 -0.253 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.398 -7.364 -0.019 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.570 -9.382 0.035 1.00 0.00 N ATOM 0 H ASN A 140 1.245 -6.825 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 140 3.373 -7.949 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.793 -8.309 -1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.386 -6.668 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.426 -9.744 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 140 4.792 -10.012 -0.161 1.00 0.00 H new ATOM 81 N PHE A 141 3.860 -5.530 1.684 1.00 0.00 N ATOM 82 CA PHE A 141 3.928 -4.109 2.126 1.00 0.00 C ATOM 83 C PHE A 141 5.362 -3.762 2.525 1.00 0.00 C ATOM 84 O PHE A 141 5.814 -4.095 3.604 1.00 0.00 O ATOM 85 CB PHE A 141 2.996 -3.905 3.321 1.00 0.00 C ATOM 86 CG PHE A 141 1.584 -4.283 2.931 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.897 -3.526 1.973 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.964 -5.389 3.526 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.411 -3.876 1.612 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.343 -5.736 3.165 1.00 0.00 C ATOM 91 CZ PHE A 141 -1.031 -4.981 2.207 1.00 0.00 C ATOM 0 H PHE A 141 4.367 -6.192 2.271 1.00 0.00 H new ATOM 0 HA PHE A 141 3.618 -3.458 1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.327 -4.514 4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.028 -2.866 3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.375 -2.674 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.494 -5.974 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.941 -3.293 0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.822 -6.587 3.626 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.039 -5.251 1.928 1.00 0.00 H new ATOM 101 N ALA A 142 6.077 -3.092 1.657 1.00 0.00 N ATOM 102 CA ALA A 142 7.483 -2.710 1.970 1.00 0.00 C ATOM 103 C ALA A 142 7.604 -1.186 1.955 1.00 0.00 C ATOM 104 O ALA A 142 7.485 -0.557 0.920 1.00 0.00 O ATOM 105 CB ALA A 142 8.422 -3.308 0.920 1.00 0.00 C ATOM 0 H ALA A 142 5.743 -2.793 0.741 1.00 0.00 H new ATOM 0 HA ALA A 142 7.755 -3.090 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.450 -3.028 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.331 -4.394 0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.154 -2.928 -0.066 1.00 0.00 H new ATOM 111 N ARG A 143 7.832 -0.588 3.097 1.00 0.00 N ATOM 112 CA ARG A 143 7.956 0.900 3.158 1.00 0.00 C ATOM 113 C ARG A 143 9.137 1.358 2.300 1.00 0.00 C ATOM 114 O ARG A 143 10.279 1.048 2.579 1.00 0.00 O ATOM 115 CB ARG A 143 8.178 1.348 4.610 1.00 0.00 C ATOM 116 CG ARG A 143 9.275 0.497 5.266 1.00 0.00 C ATOM 117 CD ARG A 143 10.210 1.390 6.089 1.00 0.00 C ATOM 118 NE ARG A 143 11.492 1.576 5.354 1.00 0.00 N ATOM 119 CZ ARG A 143 12.622 1.589 6.007 1.00 0.00 C ATOM 120 NH1 ARG A 143 13.208 0.465 6.318 1.00 0.00 N ATOM 121 NH2 ARG A 143 13.164 2.725 6.350 1.00 0.00 N ATOM 0 H ARG A 143 7.938 -1.067 3.991 1.00 0.00 H new ATOM 0 HA ARG A 143 7.037 1.346 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.461 2.400 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.249 1.254 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.824 -0.260 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 143 9.844 -0.031 4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 143 9.740 2.356 6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 143 10.399 0.938 7.063 1.00 0.00 H new ATOM 0 HE ARG A 143 11.487 1.693 4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 143 12.783 -0.423 6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 143 14.091 0.474 6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 143 12.705 3.603 6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 143 14.047 2.735 6.860 1.00 0.00 H new ATOM 135 N LYS A 144 8.863 2.098 1.258 1.00 0.00 N ATOM 136 CA LYS A 144 9.954 2.591 0.370 1.00 0.00 C ATOM 137 C LYS A 144 9.407 3.706 -0.519 1.00 0.00 C ATOM 138 O LYS A 144 8.210 3.845 -0.685 1.00 0.00 O ATOM 139 CB LYS A 144 10.473 1.443 -0.501 1.00 0.00 C ATOM 140 CG LYS A 144 9.309 0.799 -1.258 1.00 0.00 C ATOM 141 CD LYS A 144 9.677 -0.640 -1.624 1.00 0.00 C ATOM 142 CE LYS A 144 10.747 -0.637 -2.718 1.00 0.00 C ATOM 143 NZ LYS A 144 12.093 -0.799 -2.099 1.00 0.00 N ATOM 0 H LYS A 144 7.923 2.383 0.983 1.00 0.00 H new ATOM 0 HA LYS A 144 10.775 2.974 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.215 1.817 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.970 0.699 0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.409 0.811 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 144 9.086 1.370 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 144 10.045 -1.167 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.792 -1.175 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 144 10.561 -1.445 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 144 10.704 0.295 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 12.738 -1.243 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 12.465 0.134 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 12.016 -1.401 -1.254 1.00 0.00 H new ATOM 157 N THR A 145 10.274 4.508 -1.083 1.00 0.00 N ATOM 158 CA THR A 145 9.805 5.623 -1.954 1.00 0.00 C ATOM 159 C THR A 145 9.590 5.112 -3.379 1.00 0.00 C ATOM 160 O THR A 145 9.952 4.001 -3.715 1.00 0.00 O ATOM 161 CB THR A 145 10.856 6.738 -1.962 1.00 0.00 C ATOM 162 OG1 THR A 145 11.412 6.870 -0.662 1.00 0.00 O ATOM 163 CG2 THR A 145 10.202 8.059 -2.374 1.00 0.00 C ATOM 0 H THR A 145 11.286 4.437 -0.977 1.00 0.00 H new ATOM 0 HA THR A 145 8.863 6.011 -1.567 1.00 0.00 H new ATOM 0 HB THR A 145 11.644 6.489 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.086 7.582 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.952 8.850 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.775 7.958 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.413 8.311 -1.665 1.00 0.00 H new ATOM 171 N PHE A 146 8.987 5.917 -4.215 1.00 0.00 N ATOM 172 CA PHE A 146 8.723 5.498 -5.619 1.00 0.00 C ATOM 173 C PHE A 146 9.639 6.282 -6.560 1.00 0.00 C ATOM 174 O PHE A 146 10.449 7.080 -6.127 1.00 0.00 O ATOM 175 CB PHE A 146 7.261 5.795 -5.965 1.00 0.00 C ATOM 176 CG PHE A 146 6.351 4.915 -5.137 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.318 5.046 -3.739 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.535 3.966 -5.767 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.477 4.228 -2.981 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.692 3.150 -5.003 1.00 0.00 C ATOM 181 CZ PHE A 146 4.665 3.283 -3.611 1.00 0.00 C ATOM 0 H PHE A 146 8.664 6.856 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 146 8.916 4.431 -5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.039 6.845 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.086 5.619 -7.026 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.943 5.779 -3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.556 3.864 -6.842 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.455 4.327 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.063 2.418 -5.488 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.015 2.653 -3.022 1.00 0.00 H new ATOM 191 N LEU A 147 9.512 6.063 -7.844 1.00 0.00 N ATOM 192 CA LEU A 147 10.370 6.800 -8.823 1.00 0.00 C ATOM 193 C LEU A 147 9.483 7.670 -9.714 1.00 0.00 C ATOM 194 O LEU A 147 8.343 7.343 -9.973 1.00 0.00 O ATOM 195 CB LEU A 147 11.180 5.817 -9.693 1.00 0.00 C ATOM 196 CG LEU A 147 10.369 4.551 -10.004 1.00 0.00 C ATOM 197 CD1 LEU A 147 9.167 4.907 -10.878 1.00 0.00 C ATOM 198 CD2 LEU A 147 11.255 3.550 -10.748 1.00 0.00 C ATOM 0 H LEU A 147 8.851 5.405 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 147 11.072 7.427 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 147 11.469 6.305 -10.624 1.00 0.00 H new ATOM 0 HB3 LEU A 147 12.101 5.544 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 147 10.019 4.111 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.595 4.005 -11.095 1.00 0.00 H new ATOM 0 HD12 LEU A 147 8.533 5.620 -10.352 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.514 5.350 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 147 10.681 2.650 -10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.605 3.996 -11.679 1.00 0.00 H new ATOM 0 HD23 LEU A 147 12.111 3.290 -10.126 1.00 0.00 H new ATOM 210 N LYS A 148 9.999 8.782 -10.175 1.00 0.00 N ATOM 211 CA LYS A 148 9.195 9.693 -11.046 1.00 0.00 C ATOM 212 C LYS A 148 7.942 10.163 -10.285 1.00 0.00 C ATOM 213 O LYS A 148 7.974 11.172 -9.605 1.00 0.00 O ATOM 214 CB LYS A 148 8.805 8.958 -12.335 1.00 0.00 C ATOM 215 CG LYS A 148 9.898 9.152 -13.387 1.00 0.00 C ATOM 216 CD LYS A 148 9.904 10.610 -13.854 1.00 0.00 C ATOM 217 CE LYS A 148 10.715 10.730 -15.145 1.00 0.00 C ATOM 218 NZ LYS A 148 10.505 12.079 -15.740 1.00 0.00 N ATOM 0 H LYS A 148 10.949 9.100 -9.984 1.00 0.00 H new ATOM 0 HA LYS A 148 9.788 10.569 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.666 7.896 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 148 7.854 9.338 -12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.870 8.889 -12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 148 9.724 8.488 -14.234 1.00 0.00 H new ATOM 0 HD2 LYS A 148 8.883 10.954 -14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 148 10.333 11.248 -13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 148 11.774 10.573 -14.938 1.00 0.00 H new ATOM 0 HE3 LYS A 148 10.410 9.958 -15.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 11.056 12.161 -16.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 9.495 12.212 -15.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 10.816 12.808 -15.067 1.00 0.00 H new ATOM 232 N LEU A 149 6.843 9.448 -10.384 1.00 0.00 N ATOM 233 CA LEU A 149 5.608 9.861 -9.660 1.00 0.00 C ATOM 234 C LEU A 149 4.640 8.680 -9.589 1.00 0.00 C ATOM 235 O LEU A 149 4.535 7.895 -10.514 1.00 0.00 O ATOM 236 CB LEU A 149 4.940 11.023 -10.401 1.00 0.00 C ATOM 237 CG LEU A 149 4.217 11.918 -9.394 1.00 0.00 C ATOM 238 CD1 LEU A 149 5.140 13.061 -8.969 1.00 0.00 C ATOM 239 CD2 LEU A 149 2.955 12.496 -10.038 1.00 0.00 C ATOM 0 H LEU A 149 6.754 8.596 -10.937 1.00 0.00 H new ATOM 0 HA LEU A 149 5.871 10.179 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.688 11.600 -10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.233 10.641 -11.138 1.00 0.00 H new ATOM 0 HG LEU A 149 3.942 11.329 -8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.623 13.698 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 149 6.039 12.651 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 149 5.416 13.650 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 149 2.440 13.134 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.230 13.084 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 149 2.295 11.683 -10.340 1.00 0.00 H new ATOM 251 N ALA A 150 3.933 8.551 -8.497 1.00 0.00 N ATOM 252 CA ALA A 150 2.965 7.426 -8.349 1.00 0.00 C ATOM 253 C ALA A 150 1.558 8.001 -8.166 1.00 0.00 C ATOM 254 O ALA A 150 1.347 9.187 -8.341 1.00 0.00 O ATOM 255 CB ALA A 150 3.353 6.588 -7.127 1.00 0.00 C ATOM 0 H ALA A 150 3.986 9.181 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 150 2.983 6.794 -9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.649 5.764 -7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.359 6.190 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.328 7.213 -6.234 1.00 0.00 H new ATOM 261 N PHE A 151 0.594 7.181 -7.819 1.00 0.00 N ATOM 262 CA PHE A 151 -0.796 7.697 -7.632 1.00 0.00 C ATOM 263 C PHE A 151 -1.588 6.761 -6.715 1.00 0.00 C ATOM 264 O PHE A 151 -1.702 5.577 -6.973 1.00 0.00 O ATOM 265 CB PHE A 151 -1.497 7.773 -8.985 1.00 0.00 C ATOM 266 CG PHE A 151 -1.075 9.019 -9.723 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.713 10.238 -9.459 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.050 8.958 -10.675 1.00 0.00 C ATOM 269 CE1 PHE A 151 -1.326 11.393 -10.148 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.337 10.114 -11.361 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.300 11.332 -11.098 1.00 0.00 C ATOM 0 H PHE A 151 0.711 6.181 -7.658 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.745 8.688 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.255 6.891 -9.578 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.578 7.775 -8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.503 10.286 -8.724 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.442 8.018 -10.880 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.820 12.332 -9.946 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.128 10.066 -12.094 1.00 0.00 H new ATOM 0 HZ PHE A 151 -0.000 12.224 -11.628 1.00 0.00 H new ATOM 281 N CYS A 152 -2.135 7.286 -5.647 1.00 0.00 N ATOM 282 CA CYS A 152 -2.920 6.431 -4.703 1.00 0.00 C ATOM 283 C CYS A 152 -4.379 6.293 -5.163 1.00 0.00 C ATOM 284 O CYS A 152 -5.155 7.228 -5.091 1.00 0.00 O ATOM 285 CB CYS A 152 -2.915 7.058 -3.319 1.00 0.00 C ATOM 286 SG CYS A 152 -3.604 5.858 -2.160 1.00 0.00 S ATOM 0 H CYS A 152 -2.072 8.270 -5.388 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.455 5.445 -4.681 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -1.900 7.330 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.505 7.975 -3.314 1.00 0.00 H new ATOM 291 N ASP A 153 -4.762 5.116 -5.590 1.00 0.00 N ATOM 292 CA ASP A 153 -6.172 4.886 -6.026 1.00 0.00 C ATOM 293 C ASP A 153 -7.126 4.959 -4.814 1.00 0.00 C ATOM 294 O ASP A 153 -8.325 5.086 -4.970 1.00 0.00 O ATOM 295 CB ASP A 153 -6.269 3.499 -6.677 1.00 0.00 C ATOM 296 CG ASP A 153 -6.355 3.646 -8.199 1.00 0.00 C ATOM 297 OD1 ASP A 153 -5.427 4.189 -8.774 1.00 0.00 O ATOM 298 OD2 ASP A 153 -7.348 3.214 -8.760 1.00 0.00 O ATOM 0 H ASP A 153 -4.154 4.300 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.460 5.656 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.399 2.900 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -7.147 2.972 -6.303 1.00 0.00 H new ATOM 303 N ILE A 154 -6.603 4.878 -3.611 1.00 0.00 N ATOM 304 CA ILE A 154 -7.466 4.937 -2.387 1.00 0.00 C ATOM 305 C ILE A 154 -7.773 6.391 -2.047 1.00 0.00 C ATOM 306 O ILE A 154 -8.787 6.696 -1.445 1.00 0.00 O ATOM 307 CB ILE A 154 -6.692 4.321 -1.212 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.288 2.863 -1.589 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.511 4.404 0.104 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.211 1.812 -0.946 1.00 0.00 C ATOM 0 H ILE A 154 -5.606 4.773 -3.424 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.394 4.395 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.780 4.888 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.314 2.751 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.260 2.681 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.938 3.960 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.722 5.448 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.449 3.862 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -6.886 0.814 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.166 1.903 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.236 1.974 -1.281 1.00 0.00 H new ATOM 322 N CYS A 155 -6.879 7.280 -2.382 1.00 0.00 N ATOM 323 CA CYS A 155 -7.084 8.701 -2.033 1.00 0.00 C ATOM 324 C CYS A 155 -7.655 9.487 -3.216 1.00 0.00 C ATOM 325 O CYS A 155 -8.851 9.657 -3.314 1.00 0.00 O ATOM 326 CB CYS A 155 -5.752 9.266 -1.585 1.00 0.00 C ATOM 327 SG CYS A 155 -5.339 8.555 0.029 1.00 0.00 S ATOM 0 H CYS A 155 -6.015 7.076 -2.884 1.00 0.00 H new ATOM 0 HA CYS A 155 -7.813 8.786 -1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -4.976 9.029 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -5.805 10.353 -1.518 1.00 0.00 H new ATOM 332 N GLN A 156 -6.816 9.961 -4.112 1.00 0.00 N ATOM 333 CA GLN A 156 -7.309 10.744 -5.301 1.00 0.00 C ATOM 334 C GLN A 156 -6.141 11.451 -6.005 1.00 0.00 C ATOM 335 O GLN A 156 -6.252 11.812 -7.165 1.00 0.00 O ATOM 336 CB GLN A 156 -8.340 11.815 -4.879 1.00 0.00 C ATOM 337 CG GLN A 156 -9.765 11.336 -5.205 1.00 0.00 C ATOM 338 CD GLN A 156 -10.505 12.410 -6.006 1.00 0.00 C ATOM 339 OE1 GLN A 156 -11.102 13.305 -5.440 1.00 0.00 O ATOM 340 NE2 GLN A 156 -10.490 12.360 -7.310 1.00 0.00 N ATOM 0 H GLN A 156 -5.804 9.839 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.781 10.033 -5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.251 12.016 -3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.136 12.752 -5.397 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.725 10.408 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.305 11.120 -4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -9.989 11.609 -7.786 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -10.979 13.071 -7.853 1.00 0.00 H new ATOM 349 N LYS A 157 -5.036 11.675 -5.330 1.00 0.00 N ATOM 350 CA LYS A 157 -3.901 12.380 -5.986 1.00 0.00 C ATOM 351 C LYS A 157 -2.679 11.472 -6.016 1.00 0.00 C ATOM 352 O LYS A 157 -2.737 10.321 -5.639 1.00 0.00 O ATOM 353 CB LYS A 157 -3.571 13.652 -5.197 1.00 0.00 C ATOM 354 CG LYS A 157 -3.305 13.297 -3.730 1.00 0.00 C ATOM 355 CD LYS A 157 -4.566 13.556 -2.901 1.00 0.00 C ATOM 356 CE LYS A 157 -4.622 15.032 -2.503 1.00 0.00 C ATOM 357 NZ LYS A 157 -6.041 15.480 -2.455 1.00 0.00 N ATOM 0 H LYS A 157 -4.877 11.400 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.179 12.642 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -2.697 14.141 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.398 14.359 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.011 12.251 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -2.477 13.892 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.453 13.290 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.563 12.928 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.151 15.175 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -4.063 15.634 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.079 16.483 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.476 15.357 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.561 14.913 -1.755 1.00 0.00 H new ATOM 371 N PHE A 158 -1.576 11.996 -6.477 1.00 0.00 N ATOM 372 CA PHE A 158 -0.303 11.217 -6.569 1.00 0.00 C ATOM 373 C PHE A 158 -0.043 10.396 -5.281 1.00 0.00 C ATOM 374 O PHE A 158 -0.685 10.588 -4.266 1.00 0.00 O ATOM 375 CB PHE A 158 0.843 12.231 -6.759 1.00 0.00 C ATOM 376 CG PHE A 158 1.122 12.905 -5.431 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.190 13.793 -4.887 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.277 12.576 -4.718 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.413 14.356 -3.630 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.509 13.144 -3.464 1.00 0.00 C ATOM 381 CZ PHE A 158 1.575 14.034 -2.915 1.00 0.00 C ATOM 0 H PHE A 158 -1.501 12.959 -6.803 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.368 10.516 -7.401 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.738 11.726 -7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.570 12.973 -7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.703 14.044 -5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.991 11.882 -5.137 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.309 15.039 -3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.407 12.898 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.750 14.471 -1.943 1.00 0.00 H new ATOM 391 N LEU A 159 0.938 9.539 -5.319 1.00 0.00 N ATOM 392 CA LEU A 159 1.315 8.756 -4.108 1.00 0.00 C ATOM 393 C LEU A 159 2.768 9.097 -3.764 1.00 0.00 C ATOM 394 O LEU A 159 3.575 9.341 -4.642 1.00 0.00 O ATOM 395 CB LEU A 159 1.185 7.255 -4.380 1.00 0.00 C ATOM 396 CG LEU A 159 1.503 6.475 -3.092 1.00 0.00 C ATOM 397 CD1 LEU A 159 0.216 5.941 -2.473 1.00 0.00 C ATOM 398 CD2 LEU A 159 2.451 5.314 -3.405 1.00 0.00 C ATOM 0 H LEU A 159 1.502 9.345 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 159 0.654 9.008 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.176 7.022 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.867 6.958 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 159 1.985 7.147 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 159 0.451 5.391 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -0.445 6.774 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.280 5.276 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 159 2.671 4.767 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.980 4.643 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 159 3.378 5.704 -3.826 1.00 0.00 H new ATOM 410 N LEU A 160 3.102 9.123 -2.501 1.00 0.00 N ATOM 411 CA LEU A 160 4.492 9.454 -2.098 1.00 0.00 C ATOM 412 C LEU A 160 5.104 8.272 -1.348 1.00 0.00 C ATOM 413 O LEU A 160 4.514 7.211 -1.264 1.00 0.00 O ATOM 414 CB LEU A 160 4.516 10.716 -1.211 1.00 0.00 C ATOM 415 CG LEU A 160 3.359 10.788 -0.181 1.00 0.00 C ATOM 416 CD1 LEU A 160 2.031 11.123 -0.871 1.00 0.00 C ATOM 417 CD2 LEU A 160 3.238 9.475 0.611 1.00 0.00 C ATOM 0 H LEU A 160 2.464 8.927 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 160 5.079 9.655 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.466 10.754 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.474 11.598 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 160 3.592 11.588 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 160 1.236 11.168 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 160 2.114 12.088 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 160 1.798 10.352 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.419 9.555 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 160 3.041 8.652 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 160 4.169 9.286 1.146 1.00 0.00 H new ATOM 429 N ASN A 161 6.289 8.440 -0.802 1.00 0.00 N ATOM 430 CA ASN A 161 6.949 7.323 -0.055 1.00 0.00 C ATOM 431 C ASN A 161 5.988 6.755 0.992 1.00 0.00 C ATOM 432 O ASN A 161 5.744 7.361 2.020 1.00 0.00 O ATOM 433 CB ASN A 161 8.215 7.843 0.635 1.00 0.00 C ATOM 434 CG ASN A 161 7.869 9.054 1.503 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.570 8.914 2.671 1.00 0.00 O ATOM 436 ND2 ASN A 161 7.903 10.249 0.979 1.00 0.00 N ATOM 0 H ASN A 161 6.827 9.306 -0.843 1.00 0.00 H new ATOM 0 HA ASN A 161 7.217 6.534 -0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.655 7.057 1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.960 8.119 -0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 161 7.679 11.063 1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 161 8.154 10.369 -0.002 1.00 0.00 H new ATOM 443 N GLY A 162 5.431 5.605 0.720 1.00 0.00 N ATOM 444 CA GLY A 162 4.467 4.997 1.682 1.00 0.00 C ATOM 445 C GLY A 162 4.625 3.479 1.690 1.00 0.00 C ATOM 446 O GLY A 162 5.554 2.948 2.271 1.00 0.00 O ATOM 0 H GLY A 162 5.602 5.061 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.639 5.394 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.447 5.263 1.405 1.00 0.00 H new ATOM 450 N PHE A 163 3.717 2.775 1.061 1.00 0.00 N ATOM 451 CA PHE A 163 3.804 1.287 1.044 1.00 0.00 C ATOM 452 C PHE A 163 3.270 0.737 -0.284 1.00 0.00 C ATOM 453 O PHE A 163 2.103 0.882 -0.600 1.00 0.00 O ATOM 454 CB PHE A 163 2.956 0.718 2.185 1.00 0.00 C ATOM 455 CG PHE A 163 3.642 0.955 3.510 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.518 2.192 4.153 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.394 -0.067 4.099 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.150 2.408 5.383 1.00 0.00 C ATOM 459 CE2 PHE A 163 5.024 0.147 5.331 1.00 0.00 C ATOM 460 CZ PHE A 163 4.902 1.385 5.973 1.00 0.00 C ATOM 0 H PHE A 163 2.921 3.168 0.560 1.00 0.00 H new ATOM 0 HA PHE A 163 4.848 0.996 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.972 1.188 2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.799 -0.350 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 163 2.935 2.980 3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 163 4.489 -1.022 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.058 3.364 5.877 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.604 -0.643 5.786 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.388 1.551 6.923 1.00 0.00 H new ATOM 470 N ARG A 164 4.111 0.096 -1.052 1.00 0.00 N ATOM 471 CA ARG A 164 3.658 -0.489 -2.355 1.00 0.00 C ATOM 472 C ARG A 164 3.861 -2.006 -2.331 1.00 0.00 C ATOM 473 O ARG A 164 4.821 -2.504 -1.777 1.00 0.00 O ATOM 474 CB ARG A 164 4.466 0.078 -3.539 1.00 0.00 C ATOM 475 CG ARG A 164 5.879 0.492 -3.101 1.00 0.00 C ATOM 476 CD ARG A 164 6.738 0.761 -4.338 1.00 0.00 C ATOM 477 NE ARG A 164 7.431 -0.495 -4.742 1.00 0.00 N ATOM 478 CZ ARG A 164 8.228 -0.496 -5.776 1.00 0.00 C ATOM 479 NH1 ARG A 164 9.315 0.224 -5.760 1.00 0.00 N ATOM 480 NH2 ARG A 164 7.937 -1.218 -6.823 1.00 0.00 N ATOM 0 H ARG A 164 5.097 -0.050 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 164 2.606 -0.234 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.532 -0.670 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.946 0.939 -3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.831 1.385 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.329 -0.295 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.115 1.124 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.469 1.540 -4.124 1.00 0.00 H new ATOM 0 HE ARG A 164 7.283 -1.353 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 164 9.542 0.787 -4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 164 9.939 0.224 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 164 7.087 -1.782 -6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.560 -1.219 -7.631 1.00 0.00 H new ATOM 494 N CYS A 165 2.968 -2.740 -2.951 1.00 0.00 N ATOM 495 CA CYS A 165 3.112 -4.224 -2.992 1.00 0.00 C ATOM 496 C CYS A 165 4.092 -4.576 -4.111 1.00 0.00 C ATOM 497 O CYS A 165 3.912 -4.177 -5.249 1.00 0.00 O ATOM 498 CB CYS A 165 1.752 -4.870 -3.275 1.00 0.00 C ATOM 499 SG CYS A 165 1.896 -6.674 -3.164 1.00 0.00 S ATOM 0 H CYS A 165 2.146 -2.372 -3.430 1.00 0.00 H new ATOM 0 HA CYS A 165 3.481 -4.593 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.012 -4.510 -2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.402 -4.584 -4.267 1.00 0.00 H new ATOM 504 N GLN A 166 5.133 -5.306 -3.793 1.00 0.00 N ATOM 505 CA GLN A 166 6.149 -5.673 -4.827 1.00 0.00 C ATOM 506 C GLN A 166 5.776 -6.987 -5.527 1.00 0.00 C ATOM 507 O GLN A 166 6.605 -7.603 -6.172 1.00 0.00 O ATOM 508 CB GLN A 166 7.514 -5.834 -4.152 1.00 0.00 C ATOM 509 CG GLN A 166 8.623 -5.651 -5.189 1.00 0.00 C ATOM 510 CD GLN A 166 9.929 -5.287 -4.480 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.893 -6.024 -4.538 1.00 0.00 O ATOM 512 NE2 GLN A 166 10.001 -4.171 -3.805 1.00 0.00 N ATOM 0 H GLN A 166 5.323 -5.665 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 166 6.183 -4.881 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.625 -5.101 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.590 -6.820 -3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 166 8.752 -6.568 -5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.349 -4.867 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.192 -3.552 -3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.866 -3.919 -3.327 1.00 0.00 H new ATOM 521 N THR A 167 4.543 -7.418 -5.421 1.00 0.00 N ATOM 522 CA THR A 167 4.129 -8.685 -6.096 1.00 0.00 C ATOM 523 C THR A 167 3.095 -8.351 -7.173 1.00 0.00 C ATOM 524 O THR A 167 3.102 -8.923 -8.248 1.00 0.00 O ATOM 525 CB THR A 167 3.532 -9.668 -5.074 1.00 0.00 C ATOM 526 OG1 THR A 167 3.449 -9.051 -3.795 1.00 0.00 O ATOM 527 CG2 THR A 167 4.416 -10.914 -4.975 1.00 0.00 C ATOM 0 H THR A 167 3.806 -6.947 -4.896 1.00 0.00 H new ATOM 0 HA THR A 167 4.999 -9.158 -6.552 1.00 0.00 H new ATOM 0 HB THR A 167 2.533 -9.953 -5.404 1.00 0.00 H new ATOM 0 HG1 THR A 167 2.632 -8.512 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.989 -11.607 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.473 -11.398 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.417 -10.625 -4.655 1.00 0.00 H new ATOM 535 N CYS A 168 2.215 -7.419 -6.898 1.00 0.00 N ATOM 536 CA CYS A 168 1.189 -7.036 -7.911 1.00 0.00 C ATOM 537 C CYS A 168 1.429 -5.591 -8.372 1.00 0.00 C ATOM 538 O CYS A 168 0.959 -5.188 -9.421 1.00 0.00 O ATOM 539 CB CYS A 168 -0.220 -7.172 -7.318 1.00 0.00 C ATOM 540 SG CYS A 168 -0.384 -6.150 -5.831 1.00 0.00 S ATOM 0 H CYS A 168 2.165 -6.909 -6.016 1.00 0.00 H new ATOM 0 HA CYS A 168 1.272 -7.704 -8.769 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.963 -6.871 -8.057 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.419 -8.215 -7.073 1.00 0.00 H new ATOM 545 N GLY A 169 2.153 -4.804 -7.604 1.00 0.00 N ATOM 546 CA GLY A 169 2.414 -3.393 -8.011 1.00 0.00 C ATOM 547 C GLY A 169 1.341 -2.497 -7.403 1.00 0.00 C ATOM 548 O GLY A 169 0.647 -1.782 -8.104 1.00 0.00 O ATOM 0 H GLY A 169 2.571 -5.083 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.402 -3.080 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.406 -3.306 -9.098 1.00 0.00 H new ATOM 552 N TYR A 170 1.197 -2.532 -6.104 1.00 0.00 N ATOM 553 CA TYR A 170 0.162 -1.682 -5.443 1.00 0.00 C ATOM 554 C TYR A 170 0.820 -0.423 -4.884 1.00 0.00 C ATOM 555 O TYR A 170 2.014 -0.386 -4.661 1.00 0.00 O ATOM 556 CB TYR A 170 -0.505 -2.459 -4.308 1.00 0.00 C ATOM 557 CG TYR A 170 -1.931 -1.987 -4.158 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.895 -2.366 -5.100 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.287 -1.160 -3.087 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.216 -1.920 -4.970 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.607 -0.713 -2.957 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.571 -1.093 -3.897 1.00 0.00 C ATOM 563 OH TYR A 170 -5.872 -0.649 -3.772 1.00 0.00 O ATOM 0 H TYR A 170 1.750 -3.111 -5.473 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.595 -1.404 -6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.483 -3.528 -4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 170 0.041 -2.308 -3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.620 -3.003 -5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.543 -0.867 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.960 -2.213 -5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -3.882 -0.074 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 170 -5.950 -0.086 -2.974 1.00 0.00 H new ATOM 573 N LYS A 171 0.049 0.612 -4.656 1.00 0.00 N ATOM 574 CA LYS A 171 0.629 1.875 -4.112 1.00 0.00 C ATOM 575 C LYS A 171 -0.428 2.580 -3.267 1.00 0.00 C ATOM 576 O LYS A 171 -1.485 2.929 -3.761 1.00 0.00 O ATOM 577 CB LYS A 171 1.064 2.796 -5.265 1.00 0.00 C ATOM 578 CG LYS A 171 0.013 2.798 -6.382 1.00 0.00 C ATOM 579 CD LYS A 171 0.425 1.806 -7.474 1.00 0.00 C ATOM 580 CE LYS A 171 0.004 2.344 -8.843 1.00 0.00 C ATOM 581 NZ LYS A 171 0.016 1.236 -9.840 1.00 0.00 N ATOM 0 H LYS A 171 -0.957 0.635 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 171 1.501 1.641 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.208 3.810 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.023 2.463 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.962 2.526 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.084 3.799 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 171 1.504 1.650 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -0.041 0.837 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -0.992 2.782 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 171 0.682 3.137 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -0.270 1.603 -10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 0.975 0.838 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -0.648 0.493 -9.542 1.00 0.00 H new ATOM 595 N PHE A 172 -0.163 2.786 -1.997 1.00 0.00 N ATOM 596 CA PHE A 172 -1.180 3.464 -1.143 1.00 0.00 C ATOM 597 C PHE A 172 -0.577 3.899 0.215 1.00 0.00 C ATOM 598 O PHE A 172 0.421 3.374 0.667 1.00 0.00 O ATOM 599 CB PHE A 172 -2.399 2.534 -1.006 1.00 0.00 C ATOM 600 CG PHE A 172 -2.156 1.332 -0.097 1.00 0.00 C ATOM 601 CD1 PHE A 172 -0.862 0.893 0.233 1.00 0.00 C ATOM 602 CD2 PHE A 172 -3.266 0.635 0.401 1.00 0.00 C ATOM 603 CE1 PHE A 172 -0.686 -0.224 1.058 1.00 0.00 C ATOM 604 CE2 PHE A 172 -3.088 -0.484 1.221 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.799 -0.913 1.552 1.00 0.00 C ATOM 0 H PHE A 172 0.700 2.517 -1.525 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.513 4.390 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.240 3.108 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.686 2.178 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -0.001 1.419 -0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -4.264 0.964 0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 172 0.310 -0.554 1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -3.948 -1.018 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.663 -1.775 2.188 1.00 0.00 H new ATOM 615 N HIS A 173 -1.137 4.929 0.823 1.00 0.00 N ATOM 616 CA HIS A 173 -0.558 5.482 2.106 1.00 0.00 C ATOM 617 C HIS A 173 -1.152 4.808 3.377 1.00 0.00 C ATOM 618 O HIS A 173 -1.661 3.707 3.331 1.00 0.00 O ATOM 619 CB HIS A 173 -0.821 6.999 2.195 1.00 0.00 C ATOM 620 CG HIS A 173 -0.958 7.645 0.865 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.189 7.760 0.220 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.057 8.314 0.110 1.00 0.00 C ATOM 623 CE1 HIS A 173 -1.959 8.505 -0.869 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.677 8.859 -0.971 1.00 0.00 N ATOM 0 H HIS A 173 -1.970 5.412 0.487 1.00 0.00 H new ATOM 0 HA HIS A 173 0.511 5.271 2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -1.730 7.171 2.771 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.004 7.472 2.740 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.996 8.402 0.332 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.721 8.786 -1.580 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.250 9.422 -1.707 1.00 0.00 H new ATOM 632 N GLU A 174 -1.055 5.484 4.524 1.00 0.00 N ATOM 633 CA GLU A 174 -1.572 4.931 5.824 1.00 0.00 C ATOM 634 C GLU A 174 -3.104 4.878 5.828 1.00 0.00 C ATOM 635 O GLU A 174 -3.695 4.012 6.446 1.00 0.00 O ATOM 636 CB GLU A 174 -1.097 5.824 6.974 1.00 0.00 C ATOM 637 CG GLU A 174 0.328 5.435 7.369 1.00 0.00 C ATOM 638 CD GLU A 174 0.857 6.421 8.414 1.00 0.00 C ATOM 639 OE1 GLU A 174 0.091 6.796 9.286 1.00 0.00 O ATOM 640 OE2 GLU A 174 2.018 6.783 8.323 1.00 0.00 O ATOM 0 H GLU A 174 -0.631 6.408 4.602 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.190 3.918 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -1.129 6.871 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -1.764 5.719 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 174 0.341 4.422 7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 174 0.974 5.439 6.491 1.00 0.00 H new ATOM 647 N HIS A 175 -3.755 5.759 5.104 1.00 0.00 N ATOM 648 CA HIS A 175 -5.256 5.718 5.020 1.00 0.00 C ATOM 649 C HIS A 175 -5.679 4.490 4.222 1.00 0.00 C ATOM 650 O HIS A 175 -6.853 4.242 4.021 1.00 0.00 O ATOM 651 CB HIS A 175 -5.745 6.917 4.202 1.00 0.00 C ATOM 652 CG HIS A 175 -5.789 8.150 5.063 1.00 0.00 C ATOM 653 ND1 HIS A 175 -6.918 8.984 5.114 1.00 0.00 N ATOM 654 CD2 HIS A 175 -4.865 8.711 5.905 1.00 0.00 C ATOM 655 CE1 HIS A 175 -6.619 9.980 5.969 1.00 0.00 C ATOM 656 NE2 HIS A 175 -5.384 9.848 6.468 1.00 0.00 N ATOM 0 H HIS A 175 -3.314 6.506 4.567 1.00 0.00 H new ATOM 0 HA HIS A 175 -5.661 5.713 6.032 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.082 7.081 3.352 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -6.736 6.711 3.798 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -3.878 8.317 6.096 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -7.292 10.786 6.221 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -4.922 10.468 7.133 1.00 0.00 H new ATOM 664 N CYS A 176 -4.729 3.813 3.655 1.00 0.00 N ATOM 665 CA CYS A 176 -5.020 2.718 2.748 1.00 0.00 C ATOM 666 C CYS A 176 -4.298 1.459 3.231 1.00 0.00 C ATOM 667 O CYS A 176 -3.085 1.374 3.203 1.00 0.00 O ATOM 668 CB CYS A 176 -4.492 3.208 1.386 1.00 0.00 C ATOM 669 SG CYS A 176 -4.658 5.047 1.270 1.00 0.00 S ATOM 0 H CYS A 176 -3.735 3.992 3.798 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.077 2.458 2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -3.447 2.920 1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.048 2.732 0.578 1.00 0.00 H new ATOM 674 N SER A 177 -5.045 0.490 3.700 1.00 0.00 N ATOM 675 CA SER A 177 -4.430 -0.768 4.215 1.00 0.00 C ATOM 676 C SER A 177 -5.490 -1.872 4.252 1.00 0.00 C ATOM 677 O SER A 177 -5.243 -2.993 3.845 1.00 0.00 O ATOM 678 CB SER A 177 -3.897 -0.530 5.628 1.00 0.00 C ATOM 679 OG SER A 177 -4.939 -0.005 6.440 1.00 0.00 O ATOM 0 H SER A 177 -6.063 0.519 3.748 1.00 0.00 H new ATOM 0 HA SER A 177 -3.611 -1.069 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.526 -1.463 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.057 0.164 5.600 1.00 0.00 H new ATOM 0 HG SER A 177 -4.601 0.147 7.347 1.00 0.00 H new ATOM 685 N THR A 178 -6.666 -1.561 4.738 1.00 0.00 N ATOM 686 CA THR A 178 -7.749 -2.585 4.807 1.00 0.00 C ATOM 687 C THR A 178 -8.836 -2.263 3.775 1.00 0.00 C ATOM 688 O THR A 178 -9.522 -3.143 3.293 1.00 0.00 O ATOM 689 CB THR A 178 -8.364 -2.589 6.211 1.00 0.00 C ATOM 690 OG1 THR A 178 -9.510 -3.430 6.221 1.00 0.00 O ATOM 691 CG2 THR A 178 -8.769 -1.167 6.606 1.00 0.00 C ATOM 0 H THR A 178 -6.922 -0.639 5.091 1.00 0.00 H new ATOM 0 HA THR A 178 -7.327 -3.566 4.591 1.00 0.00 H new ATOM 0 HB THR A 178 -7.630 -2.962 6.925 1.00 0.00 H new ATOM 0 HG1 THR A 178 -9.904 -3.435 7.118 1.00 0.00 H new ATOM 0 HG21 THR A 178 -9.205 -1.177 7.605 1.00 0.00 H new ATOM 0 HG22 THR A 178 -7.889 -0.523 6.601 1.00 0.00 H new ATOM 0 HG23 THR A 178 -9.501 -0.786 5.894 1.00 0.00 H new ATOM 699 N LYS A 179 -8.996 -1.008 3.438 1.00 0.00 N ATOM 700 CA LYS A 179 -10.037 -0.622 2.438 1.00 0.00 C ATOM 701 C LYS A 179 -9.717 -1.244 1.075 1.00 0.00 C ATOM 702 O LYS A 179 -10.585 -1.386 0.235 1.00 0.00 O ATOM 703 CB LYS A 179 -10.073 0.903 2.304 1.00 0.00 C ATOM 704 CG LYS A 179 -11.115 1.473 3.266 1.00 0.00 C ATOM 705 CD LYS A 179 -11.639 2.802 2.721 1.00 0.00 C ATOM 706 CE LYS A 179 -10.628 3.910 3.024 1.00 0.00 C ATOM 707 NZ LYS A 179 -11.130 5.202 2.477 1.00 0.00 N ATOM 0 H LYS A 179 -8.449 -0.233 3.813 1.00 0.00 H new ATOM 0 HA LYS A 179 -11.007 -0.987 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -9.091 1.322 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -10.316 1.183 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.937 0.768 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.673 1.621 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -11.802 2.728 1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.602 3.039 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -10.475 3.993 4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -9.662 3.666 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -10.444 5.956 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -11.255 5.118 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -12.042 5.435 2.919 1.00 0.00 H new ATOM 721 N VAL A 180 -8.479 -1.618 0.847 1.00 0.00 N ATOM 722 CA VAL A 180 -8.099 -2.233 -0.463 1.00 0.00 C ATOM 723 C VAL A 180 -8.985 -3.471 -0.739 1.00 0.00 C ATOM 724 O VAL A 180 -8.890 -4.445 -0.018 1.00 0.00 O ATOM 725 CB VAL A 180 -6.630 -2.667 -0.401 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.200 -3.254 -1.749 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.755 -1.454 -0.079 1.00 0.00 C ATOM 0 H VAL A 180 -7.714 -1.523 1.515 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.242 -1.505 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.515 -3.424 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.155 -3.560 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.820 -4.119 -1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.319 -2.501 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.710 -1.761 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -5.879 -0.699 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -6.052 -1.036 0.883 1.00 0.00 H new ATOM 737 N PRO A 181 -9.817 -3.423 -1.770 1.00 0.00 N ATOM 738 CA PRO A 181 -10.689 -4.564 -2.110 1.00 0.00 C ATOM 739 C PRO A 181 -9.874 -5.649 -2.818 1.00 0.00 C ATOM 740 O PRO A 181 -9.061 -5.362 -3.673 1.00 0.00 O ATOM 741 CB PRO A 181 -11.737 -3.959 -3.049 1.00 0.00 C ATOM 742 CG PRO A 181 -11.106 -2.679 -3.642 1.00 0.00 C ATOM 743 CD PRO A 181 -9.976 -2.262 -2.684 1.00 0.00 C ATOM 0 HA PRO A 181 -11.142 -5.037 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -12.003 -4.662 -3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -12.654 -3.725 -2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -10.716 -2.867 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -11.849 -1.887 -3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -9.053 -2.054 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -10.235 -1.357 -2.135 1.00 0.00 H new ATOM 751 N THR A 182 -10.085 -6.892 -2.460 1.00 0.00 N ATOM 752 CA THR A 182 -9.323 -8.008 -3.098 1.00 0.00 C ATOM 753 C THR A 182 -7.824 -7.831 -2.791 1.00 0.00 C ATOM 754 O THR A 182 -7.402 -6.793 -2.316 1.00 0.00 O ATOM 755 CB THR A 182 -9.639 -8.036 -4.625 1.00 0.00 C ATOM 756 OG1 THR A 182 -9.958 -9.368 -4.999 1.00 0.00 O ATOM 757 CG2 THR A 182 -8.469 -7.545 -5.503 1.00 0.00 C ATOM 0 H THR A 182 -10.756 -7.182 -1.749 1.00 0.00 H new ATOM 0 HA THR A 182 -9.622 -8.975 -2.694 1.00 0.00 H new ATOM 0 HB THR A 182 -10.473 -7.354 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 182 -10.161 -9.399 -5.957 1.00 0.00 H new ATOM 0 HG21 THR A 182 -8.758 -7.591 -6.553 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.223 -6.516 -5.239 1.00 0.00 H new ATOM 0 HG23 THR A 182 -7.599 -8.180 -5.338 1.00 0.00 H new ATOM 765 N MET A 183 -7.026 -8.836 -3.051 1.00 0.00 N ATOM 766 CA MET A 183 -5.565 -8.726 -2.768 1.00 0.00 C ATOM 767 C MET A 183 -4.779 -9.612 -3.742 1.00 0.00 C ATOM 768 O MET A 183 -5.334 -10.187 -4.658 1.00 0.00 O ATOM 769 CB MET A 183 -5.294 -9.181 -1.329 1.00 0.00 C ATOM 770 CG MET A 183 -5.614 -8.037 -0.357 1.00 0.00 C ATOM 771 SD MET A 183 -7.284 -8.250 0.313 1.00 0.00 S ATOM 772 CE MET A 183 -7.315 -6.754 1.331 1.00 0.00 C ATOM 0 H MET A 183 -7.324 -9.727 -3.447 1.00 0.00 H new ATOM 0 HA MET A 183 -5.249 -7.690 -2.892 1.00 0.00 H new ATOM 0 HB2 MET A 183 -5.903 -10.054 -1.092 1.00 0.00 H new ATOM 0 HB3 MET A 183 -4.252 -9.481 -1.222 1.00 0.00 H new ATOM 0 HG2 MET A 183 -4.886 -8.022 0.454 1.00 0.00 H new ATOM 0 HG3 MET A 183 -5.538 -7.079 -0.871 1.00 0.00 H new ATOM 0 HE1 MET A 183 -8.339 -6.548 1.644 1.00 0.00 H new ATOM 0 HE2 MET A 183 -6.688 -6.900 2.211 1.00 0.00 H new ATOM 0 HE3 MET A 183 -6.937 -5.912 0.752 1.00 0.00 H new ATOM 782 N CYS A 184 -3.486 -9.727 -3.544 1.00 0.00 N ATOM 783 CA CYS A 184 -2.638 -10.577 -4.441 1.00 0.00 C ATOM 784 C CYS A 184 -3.229 -11.993 -4.527 1.00 0.00 C ATOM 785 O CYS A 184 -4.232 -12.293 -3.907 1.00 0.00 O ATOM 786 CB CYS A 184 -1.220 -10.649 -3.853 1.00 0.00 C ATOM 787 SG CYS A 184 -0.059 -9.668 -4.845 1.00 0.00 S ATOM 0 H CYS A 184 -2.977 -9.263 -2.791 1.00 0.00 H new ATOM 0 HA CYS A 184 -2.608 -10.144 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -1.228 -10.282 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -0.888 -11.687 -3.818 1.00 0.00 H new ATOM 792 N VAL A 185 -2.607 -12.862 -5.286 1.00 0.00 N ATOM 793 CA VAL A 185 -3.126 -14.256 -5.411 1.00 0.00 C ATOM 794 C VAL A 185 -2.034 -15.152 -6.015 1.00 0.00 C ATOM 795 O VAL A 185 -2.264 -15.874 -6.965 1.00 0.00 O ATOM 796 CB VAL A 185 -4.377 -14.256 -6.303 1.00 0.00 C ATOM 797 CG1 VAL A 185 -4.025 -13.742 -7.704 1.00 0.00 C ATOM 798 CG2 VAL A 185 -4.940 -15.677 -6.405 1.00 0.00 C ATOM 0 H VAL A 185 -1.763 -12.665 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 185 -3.396 -14.643 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 185 -5.126 -13.600 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -4.919 -13.746 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -3.637 -12.726 -7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -3.269 -14.388 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -5.827 -15.672 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -4.188 -16.336 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -5.206 -16.035 -5.411 1.00 0.00 H new ATOM 808 N ASP A 186 -0.847 -15.104 -5.462 1.00 0.00 N ATOM 809 CA ASP A 186 0.269 -15.945 -5.990 1.00 0.00 C ATOM 810 C ASP A 186 1.529 -15.694 -5.161 1.00 0.00 C ATOM 811 O ASP A 186 1.610 -14.737 -4.414 1.00 0.00 O ATOM 812 CB ASP A 186 0.543 -15.582 -7.454 1.00 0.00 C ATOM 813 CG ASP A 186 0.764 -14.074 -7.573 1.00 0.00 C ATOM 814 OD1 ASP A 186 1.738 -13.592 -7.019 1.00 0.00 O ATOM 815 OD2 ASP A 186 -0.046 -13.427 -8.216 1.00 0.00 O ATOM 0 H ASP A 186 -0.603 -14.516 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 186 -0.010 -16.997 -5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 186 1.421 -16.118 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -0.296 -15.888 -8.079 1.00 0.00 H new ATOM 820 N TRP A 187 2.515 -16.546 -5.290 1.00 0.00 N ATOM 821 CA TRP A 187 3.777 -16.363 -4.514 1.00 0.00 C ATOM 822 C TRP A 187 4.785 -15.580 -5.358 1.00 0.00 C ATOM 823 O TRP A 187 4.904 -14.384 -5.146 1.00 0.00 O ATOM 824 CB TRP A 187 4.364 -17.732 -4.161 1.00 0.00 C ATOM 825 CG TRP A 187 3.609 -18.322 -3.012 1.00 0.00 C ATOM 826 CD1 TRP A 187 3.299 -17.671 -1.866 1.00 0.00 C ATOM 827 CD2 TRP A 187 3.065 -19.668 -2.878 1.00 0.00 C ATOM 828 NE1 TRP A 187 2.599 -18.531 -1.040 1.00 0.00 N ATOM 829 CE2 TRP A 187 2.430 -19.773 -1.619 1.00 0.00 C ATOM 830 CE3 TRP A 187 3.062 -20.795 -3.719 1.00 0.00 C ATOM 831 CZ2 TRP A 187 1.814 -20.956 -1.208 1.00 0.00 C ATOM 832 CZ3 TRP A 187 2.442 -21.986 -3.308 1.00 0.00 C ATOM 833 CH2 TRP A 187 1.819 -22.066 -2.055 1.00 0.00 C ATOM 834 OXT TRP A 187 5.419 -16.189 -6.205 1.00 0.00 O ATOM 0 H TRP A 187 2.499 -17.362 -5.901 1.00 0.00 H new ATOM 0 HA TRP A 187 3.563 -15.813 -3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 187 4.309 -18.396 -5.024 1.00 0.00 H new ATOM 0 HB3 TRP A 187 5.418 -17.631 -3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 187 3.556 -16.648 -1.635 1.00 0.00 H new ATOM 0 HE1 TRP A 187 2.250 -18.279 -0.115 1.00 0.00 H new ATOM 0 HE3 TRP A 187 3.539 -20.744 -4.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 1.336 -21.012 -0.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 2.445 -22.846 -3.962 1.00 0.00 H new ATOM 0 HH2 TRP A 187 1.344 -22.985 -1.745 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -3.888 6.760 -0.091 1.00 0.00 ZN HETATM 847 ZN ZN A 2 -0.067 -7.522 -4.010 1.00 0.00 ZN