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 Set 1.1: A 145 THR OG1 : rot 180:sc= -1.43 USER MOD Set 1.2: A 161 ASN : amide:sc= -6.48! C(o=-7.9!,f=-14!) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -170:sc= 0 USER MOD Single : A 140 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.7!) USER MOD Single : A 144 LYS NZ :NH3+ -151:sc= -1.98 (180deg=-3.03) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 GLN : amide:sc=-0.00788 X(o=-0.0079,f=-0.29) USER MOD Single : A 167 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 170 TYR OH : rot -46:sc= 1.18 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=-0.12) USER MOD Single : A 177 SER OG : rot 180:sc= -0.188 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 -147:sc= -2.48 (180deg=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 -5.068 -18.026 -0.207 1.00 0.00 N ATOM 2 CA LEU A 136 -3.649 -17.852 -0.625 1.00 0.00 C ATOM 3 C LEU A 136 -3.253 -16.380 -0.477 1.00 0.00 C ATOM 4 O LEU A 136 -3.796 -15.514 -1.137 1.00 0.00 O ATOM 5 CB LEU A 136 -3.492 -18.290 -2.093 1.00 0.00 C ATOM 6 CG LEU A 136 -2.399 -19.364 -2.221 1.00 0.00 C ATOM 7 CD1 LEU A 136 -1.060 -18.809 -1.728 1.00 0.00 C ATOM 8 CD2 LEU A 136 -2.780 -20.593 -1.391 1.00 0.00 C ATOM 0 HA LEU A 136 -3.002 -18.464 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -4.439 -18.680 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -3.238 -17.429 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 136 -2.305 -19.650 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -0.291 -19.576 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -0.783 -17.942 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -1.151 -18.513 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -2.002 -21.351 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -2.883 -20.307 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -3.726 -20.997 -1.752 1.00 0.00 H new ATOM 22 N THR A 137 -2.310 -16.093 0.385 1.00 0.00 N ATOM 23 CA THR A 137 -1.873 -14.679 0.582 1.00 0.00 C ATOM 24 C THR A 137 -0.742 -14.359 -0.396 1.00 0.00 C ATOM 25 O THR A 137 0.321 -14.949 -0.344 1.00 0.00 O ATOM 26 CB THR A 137 -1.373 -14.494 2.016 1.00 0.00 C ATOM 27 OG1 THR A 137 -2.159 -15.284 2.897 1.00 0.00 O ATOM 28 CG2 THR A 137 -1.487 -13.019 2.409 1.00 0.00 C ATOM 0 H THR A 137 -1.823 -16.779 0.962 1.00 0.00 H new ATOM 0 HA THR A 137 -2.714 -14.009 0.402 1.00 0.00 H new ATOM 0 HB THR A 137 -0.331 -14.807 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 137 -1.838 -15.167 3.816 1.00 0.00 H new ATOM 0 HG21 THR A 137 -1.131 -12.886 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 137 -0.883 -12.414 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 137 -2.529 -12.705 2.344 1.00 0.00 H new ATOM 36 N THR A 138 -0.967 -13.430 -1.290 1.00 0.00 N ATOM 37 CA THR A 138 0.091 -13.067 -2.279 1.00 0.00 C ATOM 38 C THR A 138 0.345 -11.551 -2.275 1.00 0.00 C ATOM 39 O THR A 138 1.203 -11.070 -2.989 1.00 0.00 O ATOM 40 CB THR A 138 -0.349 -13.501 -3.681 1.00 0.00 C ATOM 41 OG1 THR A 138 -1.280 -14.571 -3.579 1.00 0.00 O ATOM 42 CG2 THR A 138 0.871 -13.961 -4.482 1.00 0.00 C ATOM 0 H THR A 138 -1.838 -12.907 -1.377 1.00 0.00 H new ATOM 0 HA THR A 138 1.013 -13.578 -2.001 1.00 0.00 H new ATOM 0 HB THR A 138 -0.819 -12.659 -4.188 1.00 0.00 H new ATOM 0 HG1 THR A 138 -1.440 -14.951 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 138 0.556 -14.269 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 138 1.583 -13.140 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 138 1.344 -14.802 -3.974 1.00 0.00 H new ATOM 50 N HIS A 139 -0.383 -10.792 -1.482 1.00 0.00 N ATOM 51 CA HIS A 139 -0.156 -9.317 -1.453 1.00 0.00 C ATOM 52 C HIS A 139 1.171 -9.026 -0.755 1.00 0.00 C ATOM 53 O HIS A 139 1.807 -9.912 -0.217 1.00 0.00 O ATOM 54 CB HIS A 139 -1.306 -8.628 -0.716 1.00 0.00 C ATOM 55 CG HIS A 139 -1.610 -7.289 -1.350 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.165 -6.921 -2.644 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.311 -6.209 -0.877 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.615 -5.671 -2.852 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.310 -5.209 -1.808 1.00 0.00 N ATOM 0 H HIS A 139 -1.117 -11.132 -0.861 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.117 -8.932 -2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.194 -9.260 -0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -1.044 -8.490 0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.792 -6.157 0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.436 -5.107 -3.756 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -2.751 -4.293 -1.723 1.00 0.00 H new ATOM 67 N ASN A 140 1.597 -7.794 -0.784 1.00 0.00 N ATOM 68 CA ASN A 140 2.891 -7.427 -0.151 1.00 0.00 C ATOM 69 C ASN A 140 2.895 -5.929 0.130 1.00 0.00 C ATOM 70 O ASN A 140 2.175 -5.172 -0.493 1.00 0.00 O ATOM 71 CB ASN A 140 4.036 -7.765 -1.109 1.00 0.00 C ATOM 72 CG ASN A 140 5.262 -8.194 -0.302 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.136 -8.829 0.726 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.453 -7.870 -0.726 1.00 0.00 N ATOM 0 H ASN A 140 1.098 -7.020 -1.223 1.00 0.00 H new ATOM 0 HA ASN A 140 3.020 -7.980 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.735 -8.564 -1.786 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.277 -6.899 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 140 7.277 -8.150 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 140 6.560 -7.337 -1.589 1.00 0.00 H new ATOM 81 N PHE A 141 3.696 -5.497 1.067 1.00 0.00 N ATOM 82 CA PHE A 141 3.746 -4.042 1.394 1.00 0.00 C ATOM 83 C PHE A 141 5.138 -3.705 1.927 1.00 0.00 C ATOM 84 O PHE A 141 5.519 -4.134 2.999 1.00 0.00 O ATOM 85 CB PHE A 141 2.698 -3.690 2.465 1.00 0.00 C ATOM 86 CG PHE A 141 1.414 -4.470 2.250 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.419 -3.981 1.391 1.00 0.00 C ATOM 88 CD2 PHE A 141 1.224 -5.684 2.919 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.763 -4.710 1.208 1.00 0.00 C ATOM 90 CE2 PHE A 141 0.042 -6.408 2.738 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.950 -5.923 1.885 1.00 0.00 C ATOM 0 H PHE A 141 4.317 -6.088 1.620 1.00 0.00 H new ATOM 0 HA PHE A 141 3.531 -3.468 0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.098 -3.908 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.487 -2.621 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.564 -3.045 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.992 -6.063 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.530 -4.337 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.103 -7.343 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.863 -6.483 1.746 1.00 0.00 H new ATOM 101 N ALA A 142 5.894 -2.936 1.189 1.00 0.00 N ATOM 102 CA ALA A 142 7.261 -2.562 1.650 1.00 0.00 C ATOM 103 C ALA A 142 7.331 -1.045 1.795 1.00 0.00 C ATOM 104 O ALA A 142 7.023 -0.315 0.874 1.00 0.00 O ATOM 105 CB ALA A 142 8.299 -3.028 0.627 1.00 0.00 C ATOM 0 H ALA A 142 5.622 -2.550 0.285 1.00 0.00 H new ATOM 0 HA ALA A 142 7.470 -3.038 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.296 -2.752 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.240 -4.111 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.101 -2.554 -0.334 1.00 0.00 H new ATOM 111 N ARG A 143 7.722 -0.568 2.949 1.00 0.00 N ATOM 112 CA ARG A 143 7.802 0.905 3.165 1.00 0.00 C ATOM 113 C ARG A 143 8.988 1.476 2.385 1.00 0.00 C ATOM 114 O ARG A 143 10.123 1.093 2.597 1.00 0.00 O ATOM 115 CB ARG A 143 7.992 1.191 4.656 1.00 0.00 C ATOM 116 CG ARG A 143 7.594 2.640 4.954 1.00 0.00 C ATOM 117 CD ARG A 143 8.133 3.057 6.327 1.00 0.00 C ATOM 118 NE ARG A 143 9.267 4.006 6.145 1.00 0.00 N ATOM 119 CZ ARG A 143 9.140 5.251 6.514 1.00 0.00 C ATOM 120 NH1 ARG A 143 9.141 5.559 7.783 1.00 0.00 N ATOM 121 NH2 ARG A 143 9.010 6.187 5.614 1.00 0.00 N ATOM 0 H ARG A 143 7.990 -1.138 3.752 1.00 0.00 H new ATOM 0 HA ARG A 143 6.880 1.371 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 143 7.385 0.507 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 143 9.031 1.022 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 143 7.989 3.301 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 143 6.509 2.740 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 143 7.343 3.526 6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 143 8.464 2.179 6.882 1.00 0.00 H new ATOM 0 HE ARG A 143 10.142 3.683 5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 143 9.241 4.826 8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 143 9.042 6.532 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 143 9.008 5.945 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 143 8.911 7.161 5.901 1.00 0.00 H new ATOM 135 N LYS A 144 8.728 2.390 1.488 1.00 0.00 N ATOM 136 CA LYS A 144 9.833 2.999 0.689 1.00 0.00 C ATOM 137 C LYS A 144 9.317 4.256 -0.022 1.00 0.00 C ATOM 138 O LYS A 144 8.217 4.710 0.225 1.00 0.00 O ATOM 139 CB LYS A 144 10.382 1.955 -0.321 1.00 0.00 C ATOM 140 CG LYS A 144 9.580 1.921 -1.644 1.00 0.00 C ATOM 141 CD LYS A 144 8.127 1.503 -1.384 1.00 0.00 C ATOM 142 CE LYS A 144 7.173 2.660 -1.721 1.00 0.00 C ATOM 143 NZ LYS A 144 6.102 2.741 -0.685 1.00 0.00 N ATOM 0 H LYS A 144 7.795 2.742 1.273 1.00 0.00 H new ATOM 0 HA LYS A 144 10.652 3.294 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.425 2.182 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.360 0.966 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 144 9.603 2.904 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 144 10.046 1.223 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 144 7.879 0.630 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.005 1.214 -0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 144 7.724 3.599 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 144 6.731 2.506 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 5.237 3.131 -1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 5.906 1.790 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 6.416 3.358 0.091 1.00 0.00 H new ATOM 157 N THR A 145 10.102 4.803 -0.911 1.00 0.00 N ATOM 158 CA THR A 145 9.669 6.016 -1.660 1.00 0.00 C ATOM 159 C THR A 145 9.617 5.677 -3.157 1.00 0.00 C ATOM 160 O THR A 145 10.368 4.852 -3.640 1.00 0.00 O ATOM 161 CB THR A 145 10.685 7.143 -1.411 1.00 0.00 C ATOM 162 OG1 THR A 145 10.674 7.486 -0.032 1.00 0.00 O ATOM 163 CG2 THR A 145 10.332 8.379 -2.246 1.00 0.00 C ATOM 0 H THR A 145 11.031 4.458 -1.151 1.00 0.00 H new ATOM 0 HA THR A 145 8.683 6.340 -1.327 1.00 0.00 H new ATOM 0 HB THR A 145 11.676 6.796 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.321 8.203 0.132 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.062 9.166 -2.057 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.345 8.119 -3.304 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.338 8.732 -1.971 1.00 0.00 H new ATOM 171 N PHE A 146 8.738 6.315 -3.892 1.00 0.00 N ATOM 172 CA PHE A 146 8.638 6.038 -5.355 1.00 0.00 C ATOM 173 C PHE A 146 9.564 6.991 -6.114 1.00 0.00 C ATOM 174 O PHE A 146 9.398 8.195 -6.072 1.00 0.00 O ATOM 175 CB PHE A 146 7.195 6.245 -5.818 1.00 0.00 C ATOM 176 CG PHE A 146 6.295 5.273 -5.095 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.909 5.528 -3.775 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.847 4.115 -5.745 1.00 0.00 C ATOM 179 CE1 PHE A 146 5.078 4.625 -3.103 1.00 0.00 C ATOM 180 CE2 PHE A 146 5.014 3.214 -5.073 1.00 0.00 C ATOM 181 CZ PHE A 146 4.630 3.471 -3.750 1.00 0.00 C ATOM 0 H PHE A 146 8.086 7.016 -3.539 1.00 0.00 H new ATOM 0 HA PHE A 146 8.934 5.008 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.880 7.269 -5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.121 6.094 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.252 6.421 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.145 3.918 -6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.783 4.820 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.667 2.322 -5.573 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.987 2.776 -3.230 1.00 0.00 H new ATOM 191 N LEU A 147 10.541 6.459 -6.804 1.00 0.00 N ATOM 192 CA LEU A 147 11.489 7.325 -7.567 1.00 0.00 C ATOM 193 C LEU A 147 10.724 8.098 -8.645 1.00 0.00 C ATOM 194 O LEU A 147 11.052 9.228 -8.957 1.00 0.00 O ATOM 195 CB LEU A 147 12.566 6.445 -8.225 1.00 0.00 C ATOM 196 CG LEU A 147 13.907 6.595 -7.487 1.00 0.00 C ATOM 197 CD1 LEU A 147 14.376 8.057 -7.536 1.00 0.00 C ATOM 198 CD2 LEU A 147 13.753 6.144 -6.027 1.00 0.00 C ATOM 0 H LEU A 147 10.723 5.458 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 147 11.964 8.033 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 147 12.251 5.402 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 147 12.686 6.727 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 147 14.652 5.969 -7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 147 15.326 8.152 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 147 14.503 8.364 -8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.632 8.694 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 147 14.706 6.253 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 147 13.000 6.759 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 147 13.443 5.099 -6.000 1.00 0.00 H new ATOM 210 N LYS A 148 9.708 7.500 -9.211 1.00 0.00 N ATOM 211 CA LYS A 148 8.918 8.194 -10.270 1.00 0.00 C ATOM 212 C LYS A 148 7.574 8.642 -9.693 1.00 0.00 C ATOM 213 O LYS A 148 7.148 8.171 -8.655 1.00 0.00 O ATOM 214 CB LYS A 148 8.679 7.237 -11.438 1.00 0.00 C ATOM 215 CG LYS A 148 9.968 7.090 -12.251 1.00 0.00 C ATOM 216 CD LYS A 148 10.201 8.362 -13.073 1.00 0.00 C ATOM 217 CE LYS A 148 9.637 8.175 -14.484 1.00 0.00 C ATOM 218 NZ LYS A 148 10.746 7.837 -15.421 1.00 0.00 N ATOM 0 H LYS A 148 9.391 6.558 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 148 9.470 9.065 -10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.359 6.264 -11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 148 7.877 7.614 -12.073 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.813 6.915 -11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 148 9.898 6.225 -12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 148 9.721 9.212 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.267 8.584 -13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 148 8.890 7.381 -14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 148 9.135 9.086 -14.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 10.364 7.710 -16.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 11.444 8.608 -15.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.205 6.957 -15.112 1.00 0.00 H new ATOM 232 N LEU A 149 6.906 9.550 -10.360 1.00 0.00 N ATOM 233 CA LEU A 149 5.589 10.035 -9.857 1.00 0.00 C ATOM 234 C LEU A 149 4.587 8.877 -9.844 1.00 0.00 C ATOM 235 O LEU A 149 4.414 8.184 -10.828 1.00 0.00 O ATOM 236 CB LEU A 149 5.071 11.156 -10.771 1.00 0.00 C ATOM 237 CG LEU A 149 4.438 12.278 -9.932 1.00 0.00 C ATOM 238 CD1 LEU A 149 3.279 11.724 -9.095 1.00 0.00 C ATOM 239 CD2 LEU A 149 5.492 12.891 -9.002 1.00 0.00 C ATOM 0 H LEU A 149 7.219 9.976 -11.233 1.00 0.00 H new ATOM 0 HA LEU A 149 5.707 10.421 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.891 11.557 -11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.336 10.755 -11.469 1.00 0.00 H new ATOM 0 HG LEU A 149 4.057 13.046 -10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 149 2.839 12.528 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 149 2.522 11.303 -9.756 1.00 0.00 H new ATOM 0 HD13 LEU A 149 3.651 10.947 -8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 149 5.037 13.685 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 149 5.882 12.121 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 149 6.307 13.303 -9.597 1.00 0.00 H new ATOM 251 N ALA A 150 3.931 8.667 -8.732 1.00 0.00 N ATOM 252 CA ALA A 150 2.937 7.558 -8.636 1.00 0.00 C ATOM 253 C ALA A 150 1.556 8.149 -8.328 1.00 0.00 C ATOM 254 O ALA A 150 1.373 9.351 -8.375 1.00 0.00 O ATOM 255 CB ALA A 150 3.364 6.605 -7.516 1.00 0.00 C ATOM 0 H ALA A 150 4.042 9.220 -7.882 1.00 0.00 H new ATOM 0 HA ALA A 150 2.889 7.009 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.644 5.790 -7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.350 6.198 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.403 7.148 -6.571 1.00 0.00 H new ATOM 261 N PHE A 151 0.584 7.322 -8.020 1.00 0.00 N ATOM 262 CA PHE A 151 -0.784 7.847 -7.713 1.00 0.00 C ATOM 263 C PHE A 151 -1.556 6.829 -6.866 1.00 0.00 C ATOM 264 O PHE A 151 -1.667 5.671 -7.226 1.00 0.00 O ATOM 265 CB PHE A 151 -1.547 8.081 -9.016 1.00 0.00 C ATOM 266 CG PHE A 151 -1.131 9.389 -9.649 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.741 10.585 -9.250 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.144 9.405 -10.642 1.00 0.00 C ATOM 269 CE1 PHE A 151 -1.364 11.794 -9.843 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.234 10.615 -11.234 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.376 11.810 -10.836 1.00 0.00 C ATOM 0 H PHE A 151 0.680 6.308 -7.968 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.687 8.784 -7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.357 7.260 -9.707 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.619 8.091 -8.819 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.503 10.573 -8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.326 8.483 -10.951 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.835 12.716 -9.535 1.00 0.00 H new ATOM 0 HE2 PHE A 151 0.997 10.627 -11.998 1.00 0.00 H new ATOM 0 HZ PHE A 151 -0.085 12.744 -11.294 1.00 0.00 H new ATOM 281 N CYS A 152 -2.080 7.247 -5.739 1.00 0.00 N ATOM 282 CA CYS A 152 -2.835 6.299 -4.857 1.00 0.00 C ATOM 283 C CYS A 152 -4.221 5.975 -5.421 1.00 0.00 C ATOM 284 O CYS A 152 -5.113 6.803 -5.429 1.00 0.00 O ATOM 285 CB CYS A 152 -3.021 6.920 -3.489 1.00 0.00 C ATOM 286 SG CYS A 152 -3.549 5.629 -2.337 1.00 0.00 S ATOM 0 H CYS A 152 -2.018 8.204 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.254 5.379 -4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.090 7.373 -3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.765 7.716 -3.533 1.00 0.00 H new ATOM 291 N ASP A 153 -4.410 4.755 -5.850 1.00 0.00 N ATOM 292 CA ASP A 153 -5.736 4.329 -6.393 1.00 0.00 C ATOM 293 C ASP A 153 -6.837 4.417 -5.312 1.00 0.00 C ATOM 294 O ASP A 153 -8.012 4.337 -5.616 1.00 0.00 O ATOM 295 CB ASP A 153 -5.619 2.879 -6.887 1.00 0.00 C ATOM 296 CG ASP A 153 -5.247 1.944 -5.725 1.00 0.00 C ATOM 297 OD1 ASP A 153 -4.706 2.427 -4.742 1.00 0.00 O ATOM 298 OD2 ASP A 153 -5.511 0.758 -5.840 1.00 0.00 O ATOM 0 H ASP A 153 -3.695 4.027 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.013 4.994 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -6.563 2.562 -7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -4.863 2.815 -7.670 1.00 0.00 H new ATOM 303 N ILE A 154 -6.470 4.562 -4.059 1.00 0.00 N ATOM 304 CA ILE A 154 -7.493 4.630 -2.962 1.00 0.00 C ATOM 305 C ILE A 154 -7.852 6.078 -2.653 1.00 0.00 C ATOM 306 O ILE A 154 -8.946 6.368 -2.203 1.00 0.00 O ATOM 307 CB ILE A 154 -6.886 4.015 -1.691 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.546 2.521 -1.975 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.834 4.194 -0.472 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.640 1.572 -1.459 1.00 0.00 C ATOM 0 H ILE A 154 -5.502 4.637 -3.747 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.387 4.093 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.965 4.534 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.417 2.376 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.596 2.270 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.378 3.749 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.005 5.256 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.785 3.702 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.361 0.541 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.751 1.696 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.585 1.805 -1.950 1.00 0.00 H new ATOM 322 N CYS A 155 -6.921 6.969 -2.817 1.00 0.00 N ATOM 323 CA CYS A 155 -7.187 8.375 -2.451 1.00 0.00 C ATOM 324 C CYS A 155 -7.666 9.187 -3.653 1.00 0.00 C ATOM 325 O CYS A 155 -8.853 9.301 -3.870 1.00 0.00 O ATOM 326 CB CYS A 155 -5.919 8.932 -1.841 1.00 0.00 C ATOM 327 SG CYS A 155 -5.627 8.077 -0.260 1.00 0.00 S ATOM 0 H CYS A 155 -5.990 6.782 -3.188 1.00 0.00 H new ATOM 0 HA CYS A 155 -7.997 8.435 -1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.075 8.784 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.014 10.006 -1.681 1.00 0.00 H new ATOM 332 N GLN A 156 -6.770 9.741 -4.437 1.00 0.00 N ATOM 333 CA GLN A 156 -7.191 10.553 -5.640 1.00 0.00 C ATOM 334 C GLN A 156 -6.006 11.339 -6.228 1.00 0.00 C ATOM 335 O GLN A 156 -6.083 11.815 -7.346 1.00 0.00 O ATOM 336 CB GLN A 156 -8.304 11.559 -5.274 1.00 0.00 C ATOM 337 CG GLN A 156 -9.664 11.034 -5.755 1.00 0.00 C ATOM 338 CD GLN A 156 -10.011 11.672 -7.103 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.114 10.989 -8.101 1.00 0.00 O ATOM 340 NE2 GLN A 156 -10.197 12.962 -7.172 1.00 0.00 N ATOM 0 H GLN A 156 -5.762 9.669 -4.300 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.563 9.844 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.325 11.714 -4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.096 12.527 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.633 9.949 -5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.436 11.267 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -10.110 13.535 -6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -10.429 13.397 -8.065 1.00 0.00 H new ATOM 349 N LYS A 157 -4.929 11.503 -5.497 1.00 0.00 N ATOM 350 CA LYS A 157 -3.778 12.282 -6.039 1.00 0.00 C ATOM 351 C LYS A 157 -2.544 11.387 -6.121 1.00 0.00 C ATOM 352 O LYS A 157 -2.632 10.183 -6.025 1.00 0.00 O ATOM 353 CB LYS A 157 -3.494 13.473 -5.118 1.00 0.00 C ATOM 354 CG LYS A 157 -4.781 14.278 -4.903 1.00 0.00 C ATOM 355 CD LYS A 157 -5.090 15.109 -6.156 1.00 0.00 C ATOM 356 CE LYS A 157 -4.692 16.571 -5.924 1.00 0.00 C ATOM 357 NZ LYS A 157 -5.911 17.375 -5.625 1.00 0.00 N ATOM 0 H LYS A 157 -4.800 11.133 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.022 12.645 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.109 13.121 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.725 14.109 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.611 13.604 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.671 14.933 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -4.548 14.707 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.152 15.045 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -3.986 16.640 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -4.189 16.967 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -5.642 18.367 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.570 17.318 -6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.372 17.001 -4.771 1.00 0.00 H new ATOM 371 N PHE A 158 -1.401 11.976 -6.325 1.00 0.00 N ATOM 372 CA PHE A 158 -0.134 11.201 -6.449 1.00 0.00 C ATOM 373 C PHE A 158 0.078 10.257 -5.246 1.00 0.00 C ATOM 374 O PHE A 158 -0.599 10.337 -4.241 1.00 0.00 O ATOM 375 CB PHE A 158 1.025 12.206 -6.508 1.00 0.00 C ATOM 376 CG PHE A 158 1.115 12.924 -5.182 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.363 14.077 -4.955 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.920 12.399 -4.167 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.422 14.714 -3.714 1.00 0.00 C ATOM 380 CE2 PHE A 158 1.976 13.030 -2.924 1.00 0.00 C ATOM 381 CZ PHE A 158 1.228 14.190 -2.695 1.00 0.00 C ATOM 0 H PHE A 158 -1.288 12.986 -6.413 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.180 10.587 -7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.961 11.690 -6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.863 12.921 -7.314 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.264 14.476 -5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.499 11.505 -4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.154 15.611 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.596 12.623 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.272 14.681 -1.734 1.00 0.00 H new ATOM 391 N LEU A 159 1.058 9.402 -5.352 1.00 0.00 N ATOM 392 CA LEU A 159 1.406 8.471 -4.237 1.00 0.00 C ATOM 393 C LEU A 159 2.847 8.797 -3.823 1.00 0.00 C ATOM 394 O LEU A 159 3.703 9.004 -4.663 1.00 0.00 O ATOM 395 CB LEU A 159 1.303 7.020 -4.741 1.00 0.00 C ATOM 396 CG LEU A 159 1.244 5.995 -3.589 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.496 6.077 -2.720 1.00 0.00 C ATOM 398 CD2 LEU A 159 0.012 6.225 -2.712 1.00 0.00 C ATOM 0 H LEU A 159 1.645 9.307 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 159 0.731 8.584 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.412 6.917 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.160 6.798 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 159 1.183 5.005 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.429 5.344 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.376 5.868 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.578 7.077 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.005 5.489 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.051 7.227 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.889 6.123 -3.317 1.00 0.00 H new ATOM 410 N LEU A 160 3.112 8.881 -2.544 1.00 0.00 N ATOM 411 CA LEU A 160 4.478 9.237 -2.079 1.00 0.00 C ATOM 412 C LEU A 160 5.068 8.097 -1.232 1.00 0.00 C ATOM 413 O LEU A 160 4.688 6.953 -1.373 1.00 0.00 O ATOM 414 CB LEU A 160 4.352 10.512 -1.247 1.00 0.00 C ATOM 415 CG LEU A 160 3.406 10.275 -0.057 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.990 10.921 1.201 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.038 10.897 -0.353 1.00 0.00 C ATOM 0 H LEU A 160 2.433 8.716 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 160 5.146 9.395 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.334 10.818 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.973 11.324 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 160 3.293 9.202 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.318 10.752 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.963 10.480 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.106 11.993 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.371 10.727 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.153 11.969 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.615 10.438 -1.247 1.00 0.00 H new ATOM 429 N ASN A 161 6.003 8.399 -0.351 1.00 0.00 N ATOM 430 CA ASN A 161 6.616 7.332 0.501 1.00 0.00 C ATOM 431 C ASN A 161 5.512 6.600 1.258 1.00 0.00 C ATOM 432 O ASN A 161 5.035 7.072 2.275 1.00 0.00 O ATOM 433 CB ASN A 161 7.580 7.960 1.517 1.00 0.00 C ATOM 434 CG ASN A 161 8.521 8.951 0.826 1.00 0.00 C ATOM 435 OD1 ASN A 161 8.495 9.102 -0.379 1.00 0.00 O ATOM 436 ND2 ASN A 161 9.362 9.640 1.548 1.00 0.00 N ATOM 0 H ASN A 161 6.364 9.339 -0.190 1.00 0.00 H new ATOM 0 HA ASN A 161 7.163 6.637 -0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 161 7.014 8.471 2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.162 7.178 2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 161 9.995 10.303 1.100 1.00 0.00 H new ATOM 0 HD22 ASN A 161 9.386 9.516 2.560 1.00 0.00 H new ATOM 443 N GLY A 162 5.094 5.459 0.772 1.00 0.00 N ATOM 444 CA GLY A 162 4.011 4.718 1.471 1.00 0.00 C ATOM 445 C GLY A 162 4.350 3.239 1.506 1.00 0.00 C ATOM 446 O GLY A 162 5.374 2.836 2.027 1.00 0.00 O ATOM 0 H GLY A 162 5.455 5.014 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 162 3.892 5.099 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.061 4.872 0.959 1.00 0.00 H new ATOM 450 N PHE A 163 3.492 2.428 0.957 1.00 0.00 N ATOM 451 CA PHE A 163 3.744 0.968 0.951 1.00 0.00 C ATOM 452 C PHE A 163 3.255 0.381 -0.372 1.00 0.00 C ATOM 453 O PHE A 163 2.080 0.452 -0.690 1.00 0.00 O ATOM 454 CB PHE A 163 2.963 0.310 2.093 1.00 0.00 C ATOM 455 CG PHE A 163 3.634 0.587 3.416 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.509 1.843 4.018 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.374 -0.421 4.046 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.125 2.094 5.250 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.988 -0.171 5.279 1.00 0.00 C ATOM 460 CZ PHE A 163 4.863 1.086 5.881 1.00 0.00 C ATOM 0 H PHE A 163 2.622 2.719 0.510 1.00 0.00 H new ATOM 0 HA PHE A 163 4.811 0.785 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.941 0.689 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.901 -0.766 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 163 2.937 2.620 3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 163 4.471 -1.391 3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.031 3.065 5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.558 -0.948 5.766 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.336 1.278 6.833 1.00 0.00 H new ATOM 470 N ARG A 164 4.140 -0.193 -1.145 1.00 0.00 N ATOM 471 CA ARG A 164 3.716 -0.786 -2.447 1.00 0.00 C ATOM 472 C ARG A 164 3.993 -2.286 -2.478 1.00 0.00 C ATOM 473 O ARG A 164 5.003 -2.759 -1.991 1.00 0.00 O ATOM 474 CB ARG A 164 4.502 -0.165 -3.600 1.00 0.00 C ATOM 475 CG ARG A 164 6.013 -0.261 -3.336 1.00 0.00 C ATOM 476 CD ARG A 164 6.679 -1.106 -4.425 1.00 0.00 C ATOM 477 NE ARG A 164 6.863 -0.278 -5.651 1.00 0.00 N ATOM 478 CZ ARG A 164 7.353 -0.816 -6.733 1.00 0.00 C ATOM 479 NH1 ARG A 164 6.926 -1.982 -7.134 1.00 0.00 N ATOM 480 NH2 ARG A 164 8.271 -0.187 -7.416 1.00 0.00 N ATOM 0 H ARG A 164 5.134 -0.276 -0.932 1.00 0.00 H new ATOM 0 HA ARG A 164 2.649 -0.591 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.257 -0.675 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 164 4.214 0.879 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 164 6.452 0.737 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.193 -0.706 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 164 7.643 -1.476 -4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.065 -1.978 -4.650 1.00 0.00 H new ATOM 0 HE ARG A 164 6.606 0.709 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 164 6.208 -2.473 -6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 164 7.310 -2.402 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 164 8.604 0.725 -7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.655 -0.607 -8.262 1.00 0.00 H new ATOM 494 N CYS A 165 3.108 -3.028 -3.092 1.00 0.00 N ATOM 495 CA CYS A 165 3.306 -4.496 -3.222 1.00 0.00 C ATOM 496 C CYS A 165 4.218 -4.722 -4.424 1.00 0.00 C ATOM 497 O CYS A 165 3.943 -4.248 -5.514 1.00 0.00 O ATOM 498 CB CYS A 165 1.953 -5.174 -3.450 1.00 0.00 C ATOM 499 SG CYS A 165 2.163 -6.969 -3.616 1.00 0.00 S ATOM 0 H CYS A 165 2.249 -2.673 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 165 3.751 -4.916 -2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.285 -4.955 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.485 -4.772 -4.348 1.00 0.00 H new ATOM 504 N GLN A 166 5.309 -5.417 -4.225 1.00 0.00 N ATOM 505 CA GLN A 166 6.272 -5.657 -5.350 1.00 0.00 C ATOM 506 C GLN A 166 5.917 -6.930 -6.130 1.00 0.00 C ATOM 507 O GLN A 166 6.732 -7.456 -6.865 1.00 0.00 O ATOM 508 CB GLN A 166 7.689 -5.792 -4.785 1.00 0.00 C ATOM 509 CG GLN A 166 8.689 -5.158 -5.757 1.00 0.00 C ATOM 510 CD GLN A 166 10.111 -5.574 -5.377 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.395 -6.747 -5.227 1.00 0.00 O ATOM 512 NE2 GLN A 166 11.024 -4.657 -5.213 1.00 0.00 N ATOM 0 H GLN A 166 5.577 -5.830 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 166 6.214 -4.809 -6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.752 -5.304 -3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.932 -6.843 -4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 166 8.468 -5.472 -6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.598 -4.072 -5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 166 10.787 -3.673 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 166 11.975 -4.924 -4.959 1.00 0.00 H new ATOM 521 N THR A 167 4.712 -7.416 -5.999 1.00 0.00 N ATOM 522 CA THR A 167 4.302 -8.639 -6.751 1.00 0.00 C ATOM 523 C THR A 167 3.176 -8.258 -7.714 1.00 0.00 C ATOM 524 O THR A 167 3.142 -8.702 -8.847 1.00 0.00 O ATOM 525 CB THR A 167 3.821 -9.733 -5.783 1.00 0.00 C ATOM 526 OG1 THR A 167 3.791 -9.230 -4.455 1.00 0.00 O ATOM 527 CG2 THR A 167 4.766 -10.937 -5.847 1.00 0.00 C ATOM 0 H THR A 167 3.989 -7.017 -5.400 1.00 0.00 H new ATOM 0 HA THR A 167 5.154 -9.032 -7.305 1.00 0.00 H new ATOM 0 HB THR A 167 2.817 -10.042 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 167 2.939 -8.771 -4.298 1.00 0.00 H new ATOM 0 HG21 THR A 167 4.420 -11.708 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.780 -11.335 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.772 -10.625 -5.566 1.00 0.00 H new ATOM 535 N CYS A 168 2.264 -7.423 -7.277 1.00 0.00 N ATOM 536 CA CYS A 168 1.152 -6.995 -8.171 1.00 0.00 C ATOM 537 C CYS A 168 1.380 -5.544 -8.611 1.00 0.00 C ATOM 538 O CYS A 168 0.883 -5.123 -9.639 1.00 0.00 O ATOM 539 CB CYS A 168 -0.201 -7.131 -7.452 1.00 0.00 C ATOM 540 SG CYS A 168 -0.249 -6.088 -5.969 1.00 0.00 S ATOM 0 H CYS A 168 2.245 -7.022 -6.339 1.00 0.00 H new ATOM 0 HA CYS A 168 1.134 -7.638 -9.051 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.007 -6.847 -8.128 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.368 -8.172 -7.176 1.00 0.00 H new ATOM 545 N GLY A 169 2.129 -4.774 -7.848 1.00 0.00 N ATOM 546 CA GLY A 169 2.377 -3.358 -8.241 1.00 0.00 C ATOM 547 C GLY A 169 1.335 -2.471 -7.573 1.00 0.00 C ATOM 548 O GLY A 169 0.703 -1.650 -8.212 1.00 0.00 O ATOM 0 H GLY A 169 2.573 -5.069 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.380 -3.054 -7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.323 -3.253 -9.325 1.00 0.00 H new ATOM 552 N TYR A 170 1.155 -2.631 -6.291 1.00 0.00 N ATOM 553 CA TYR A 170 0.154 -1.796 -5.563 1.00 0.00 C ATOM 554 C TYR A 170 0.887 -0.637 -4.898 1.00 0.00 C ATOM 555 O TYR A 170 2.080 -0.698 -4.713 1.00 0.00 O ATOM 556 CB TYR A 170 -0.546 -2.649 -4.502 1.00 0.00 C ATOM 557 CG TYR A 170 -1.963 -2.164 -4.303 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.824 -2.029 -5.400 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.419 -1.850 -3.017 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.136 -1.579 -5.212 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.731 -1.401 -2.827 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.589 -1.265 -3.925 1.00 0.00 C ATOM 563 OH TYR A 170 -5.884 -0.825 -3.737 1.00 0.00 O ATOM 0 H TYR A 170 1.658 -3.305 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.595 -1.412 -6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.550 -3.695 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 170 0.001 -2.595 -3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.475 -2.273 -6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.757 -1.954 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.798 -1.474 -6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.081 -1.160 -1.834 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.098 -0.143 -4.408 1.00 0.00 H new ATOM 573 N LYS A 171 0.198 0.421 -4.548 1.00 0.00 N ATOM 574 CA LYS A 171 0.888 1.579 -3.901 1.00 0.00 C ATOM 575 C LYS A 171 -0.143 2.408 -3.144 1.00 0.00 C ATOM 576 O LYS A 171 -1.158 2.779 -3.705 1.00 0.00 O ATOM 577 CB LYS A 171 1.551 2.435 -4.983 1.00 0.00 C ATOM 578 CG LYS A 171 0.509 2.841 -6.029 1.00 0.00 C ATOM 579 CD LYS A 171 1.204 3.529 -7.206 1.00 0.00 C ATOM 580 CE LYS A 171 0.509 3.140 -8.513 1.00 0.00 C ATOM 581 NZ LYS A 171 1.182 3.822 -9.656 1.00 0.00 N ATOM 0 H LYS A 171 -0.807 0.533 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 171 1.649 1.224 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.997 3.323 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.359 1.878 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.033 1.962 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.225 3.513 -5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 171 1.176 4.611 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 171 2.254 3.239 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 171 0.545 2.059 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -0.543 3.422 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.710 3.558 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 1.126 4.852 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 2.180 3.532 -9.695 1.00 0.00 H new ATOM 595 N PHE A 172 0.078 2.693 -1.873 1.00 0.00 N ATOM 596 CA PHE A 172 -0.950 3.485 -1.132 1.00 0.00 C ATOM 597 C PHE A 172 -0.436 4.002 0.241 1.00 0.00 C ATOM 598 O PHE A 172 0.486 3.463 0.824 1.00 0.00 O ATOM 599 CB PHE A 172 -2.193 2.596 -0.997 1.00 0.00 C ATOM 600 CG PHE A 172 -1.987 1.498 0.023 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.029 1.794 1.385 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.778 0.184 -0.397 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.861 0.786 2.331 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.610 -0.834 0.546 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.651 -0.533 1.914 1.00 0.00 C ATOM 0 H PHE A 172 0.901 2.418 -1.337 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.193 4.391 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.048 3.207 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.431 2.154 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.193 2.811 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.746 -0.047 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.893 1.022 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.449 -1.851 0.221 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.521 -1.317 2.645 1.00 0.00 H new ATOM 615 N HIS A 173 -1.028 5.082 0.724 1.00 0.00 N ATOM 616 CA HIS A 173 -0.605 5.725 2.030 1.00 0.00 C ATOM 617 C HIS A 173 -1.234 5.002 3.273 1.00 0.00 C ATOM 618 O HIS A 173 -1.273 3.792 3.329 1.00 0.00 O ATOM 619 CB HIS A 173 -1.025 7.215 2.043 1.00 0.00 C ATOM 620 CG HIS A 173 -1.148 7.805 0.689 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.367 7.827 -0.001 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.262 8.500 -0.056 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.141 8.550 -1.105 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.877 8.974 -1.177 1.00 0.00 N ATOM 0 H HIS A 173 -1.803 5.556 0.259 1.00 0.00 H new ATOM 0 HA HIS A 173 0.479 5.636 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -1.979 7.311 2.561 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.293 7.786 2.615 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.776 8.657 0.197 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.893 8.765 -1.850 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.458 9.536 -1.918 1.00 0.00 H new ATOM 632 N GLU A 174 -1.696 5.738 4.292 1.00 0.00 N ATOM 633 CA GLU A 174 -2.283 5.090 5.512 1.00 0.00 C ATOM 634 C GLU A 174 -3.815 4.969 5.392 1.00 0.00 C ATOM 635 O GLU A 174 -4.432 4.189 6.091 1.00 0.00 O ATOM 636 CB GLU A 174 -1.941 5.929 6.743 1.00 0.00 C ATOM 637 CG GLU A 174 -0.422 5.979 6.921 1.00 0.00 C ATOM 638 CD GLU A 174 0.096 4.589 7.296 1.00 0.00 C ATOM 639 OE1 GLU A 174 -0.452 4.003 8.214 1.00 0.00 O ATOM 640 OE2 GLU A 174 1.032 4.137 6.658 1.00 0.00 O ATOM 0 H GLU A 174 -1.684 6.758 4.315 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.862 4.089 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -2.338 6.938 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.408 5.500 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 174 0.051 6.318 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -0.160 6.698 7.698 1.00 0.00 H new ATOM 647 N HIS A 175 -4.434 5.707 4.492 1.00 0.00 N ATOM 648 CA HIS A 175 -5.925 5.605 4.301 1.00 0.00 C ATOM 649 C HIS A 175 -6.230 4.459 3.346 1.00 0.00 C ATOM 650 O HIS A 175 -7.225 4.487 2.635 1.00 0.00 O ATOM 651 CB HIS A 175 -6.422 6.864 3.592 1.00 0.00 C ATOM 652 CG HIS A 175 -6.511 8.010 4.561 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.369 8.648 5.071 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.584 8.651 5.124 1.00 0.00 C ATOM 655 CE1 HIS A 175 -5.804 9.617 5.896 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.141 9.650 5.955 1.00 0.00 N ATOM 0 H HIS A 175 -3.970 6.378 3.880 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.394 5.465 5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.746 7.121 2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.400 6.677 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.620 8.407 4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.155 10.285 6.443 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.715 10.288 6.506 1.00 0.00 H new ATOM 664 N CYS A 176 -5.334 3.526 3.214 1.00 0.00 N ATOM 665 CA CYS A 176 -5.517 2.497 2.195 1.00 0.00 C ATOM 666 C CYS A 176 -4.839 1.191 2.612 1.00 0.00 C ATOM 667 O CYS A 176 -4.484 0.379 1.781 1.00 0.00 O ATOM 668 CB CYS A 176 -4.903 3.058 0.891 1.00 0.00 C ATOM 669 SG CYS A 176 -4.010 4.669 1.148 1.00 0.00 S ATOM 0 H CYS A 176 -4.486 3.443 3.775 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.572 2.263 2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.210 2.326 0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.694 3.200 0.154 1.00 0.00 H new ATOM 674 N SER A 177 -4.678 0.978 3.895 1.00 0.00 N ATOM 675 CA SER A 177 -4.039 -0.282 4.377 1.00 0.00 C ATOM 676 C SER A 177 -5.109 -1.168 5.025 1.00 0.00 C ATOM 677 O SER A 177 -5.143 -2.367 4.822 1.00 0.00 O ATOM 678 CB SER A 177 -2.948 0.041 5.410 1.00 0.00 C ATOM 679 OG SER A 177 -2.702 1.442 5.430 1.00 0.00 O ATOM 0 H SER A 177 -4.963 1.625 4.630 1.00 0.00 H new ATOM 0 HA SER A 177 -3.584 -0.802 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.259 -0.297 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 177 -2.031 -0.495 5.164 1.00 0.00 H new ATOM 0 HG SER A 177 -2.007 1.643 6.091 1.00 0.00 H new ATOM 685 N THR A 178 -5.977 -0.579 5.807 1.00 0.00 N ATOM 686 CA THR A 178 -7.049 -1.369 6.483 1.00 0.00 C ATOM 687 C THR A 178 -8.260 -1.512 5.556 1.00 0.00 C ATOM 688 O THR A 178 -9.019 -2.458 5.661 1.00 0.00 O ATOM 689 CB THR A 178 -7.474 -0.651 7.765 1.00 0.00 C ATOM 690 OG1 THR A 178 -6.322 -0.332 8.532 1.00 0.00 O ATOM 691 CG2 THR A 178 -8.396 -1.560 8.579 1.00 0.00 C ATOM 0 H THR A 178 -5.989 0.421 6.007 1.00 0.00 H new ATOM 0 HA THR A 178 -6.665 -2.360 6.724 1.00 0.00 H new ATOM 0 HB THR A 178 -8.005 0.266 7.509 1.00 0.00 H new ATOM 0 HG1 THR A 178 -6.593 0.130 9.353 1.00 0.00 H new ATOM 0 HG21 THR A 178 -8.698 -1.048 9.492 1.00 0.00 H new ATOM 0 HG22 THR A 178 -9.280 -1.803 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 178 -7.868 -2.478 8.836 1.00 0.00 H new ATOM 699 N LYS A 179 -8.448 -0.582 4.652 1.00 0.00 N ATOM 700 CA LYS A 179 -9.613 -0.663 3.719 1.00 0.00 C ATOM 701 C LYS A 179 -9.190 -1.333 2.407 1.00 0.00 C ATOM 702 O LYS A 179 -9.796 -1.119 1.375 1.00 0.00 O ATOM 703 CB LYS A 179 -10.125 0.748 3.421 1.00 0.00 C ATOM 704 CG LYS A 179 -11.159 1.154 4.474 1.00 0.00 C ATOM 705 CD LYS A 179 -11.590 2.603 4.236 1.00 0.00 C ATOM 706 CE LYS A 179 -12.937 2.854 4.915 1.00 0.00 C ATOM 707 NZ LYS A 179 -13.338 4.276 4.714 1.00 0.00 N ATOM 0 H LYS A 179 -7.844 0.230 4.520 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.402 -1.253 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -9.295 1.454 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -10.571 0.781 2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -12.024 0.493 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.736 1.049 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -10.839 3.286 4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -11.668 2.799 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.695 2.189 4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -12.867 2.632 5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -14.254 4.447 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -12.619 4.902 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -13.421 4.473 3.696 1.00 0.00 H new ATOM 721 N VAL A 180 -8.158 -2.140 2.438 1.00 0.00 N ATOM 722 CA VAL A 180 -7.695 -2.824 1.194 1.00 0.00 C ATOM 723 C VAL A 180 -8.637 -4.006 0.875 1.00 0.00 C ATOM 724 O VAL A 180 -8.688 -4.949 1.638 1.00 0.00 O ATOM 725 CB VAL A 180 -6.274 -3.357 1.407 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.746 -3.940 0.096 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.361 -2.216 1.855 1.00 0.00 C ATOM 0 H VAL A 180 -7.616 -2.354 3.275 1.00 0.00 H new ATOM 0 HA VAL A 180 -7.703 -2.115 0.366 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.291 -4.133 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.735 -4.319 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.394 -4.754 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -5.731 -3.163 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.351 -2.596 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -5.346 -1.440 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.734 -1.797 2.789 1.00 0.00 H new ATOM 737 N PRO A 181 -9.359 -3.947 -0.238 1.00 0.00 N ATOM 738 CA PRO A 181 -10.277 -5.037 -0.618 1.00 0.00 C ATOM 739 C PRO A 181 -9.484 -6.201 -1.221 1.00 0.00 C ATOM 740 O PRO A 181 -8.283 -6.291 -1.052 1.00 0.00 O ATOM 741 CB PRO A 181 -11.194 -4.393 -1.665 1.00 0.00 C ATOM 742 CG PRO A 181 -10.419 -3.185 -2.242 1.00 0.00 C ATOM 743 CD PRO A 181 -9.339 -2.821 -1.207 1.00 0.00 C ATOM 0 HA PRO A 181 -10.834 -5.448 0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -11.445 -5.105 -2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -12.133 -4.072 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -9.967 -3.437 -3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -11.088 -2.343 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -8.360 -2.717 -1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -9.561 -1.872 -0.718 1.00 0.00 H new ATOM 751 N THR A 182 -10.143 -7.094 -1.926 1.00 0.00 N ATOM 752 CA THR A 182 -9.425 -8.253 -2.545 1.00 0.00 C ATOM 753 C THR A 182 -8.276 -7.743 -3.424 1.00 0.00 C ATOM 754 O THR A 182 -8.490 -7.213 -4.499 1.00 0.00 O ATOM 755 CB THR A 182 -10.404 -9.065 -3.397 1.00 0.00 C ATOM 756 OG1 THR A 182 -9.701 -10.108 -4.058 1.00 0.00 O ATOM 757 CG2 THR A 182 -11.066 -8.156 -4.430 1.00 0.00 C ATOM 0 H THR A 182 -11.148 -7.068 -2.098 1.00 0.00 H new ATOM 0 HA THR A 182 -9.018 -8.887 -1.757 1.00 0.00 H new ATOM 0 HB THR A 182 -11.173 -9.495 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 182 -10.326 -10.630 -4.603 1.00 0.00 H new ATOM 0 HG21 THR A 182 -11.762 -8.738 -5.034 1.00 0.00 H new ATOM 0 HG22 THR A 182 -11.607 -7.359 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 182 -10.302 -7.721 -5.075 1.00 0.00 H new ATOM 765 N MET A 183 -7.062 -7.887 -2.960 1.00 0.00 N ATOM 766 CA MET A 183 -5.887 -7.401 -3.742 1.00 0.00 C ATOM 767 C MET A 183 -4.961 -8.576 -4.073 1.00 0.00 C ATOM 768 O MET A 183 -4.984 -9.599 -3.418 1.00 0.00 O ATOM 769 CB MET A 183 -5.129 -6.367 -2.899 1.00 0.00 C ATOM 770 CG MET A 183 -4.649 -5.212 -3.784 1.00 0.00 C ATOM 771 SD MET A 183 -6.074 -4.305 -4.441 1.00 0.00 S ATOM 772 CE MET A 183 -5.479 -4.151 -6.144 1.00 0.00 C ATOM 0 H MET A 183 -6.833 -8.323 -2.067 1.00 0.00 H new ATOM 0 HA MET A 183 -6.225 -6.946 -4.673 1.00 0.00 H new ATOM 0 HB2 MET A 183 -5.777 -5.985 -2.110 1.00 0.00 H new ATOM 0 HB3 MET A 183 -4.276 -6.839 -2.411 1.00 0.00 H new ATOM 0 HG2 MET A 183 -4.014 -4.540 -3.207 1.00 0.00 H new ATOM 0 HG3 MET A 183 -4.043 -5.598 -4.604 1.00 0.00 H new ATOM 0 HE1 MET A 183 -5.830 -3.210 -6.568 1.00 0.00 H new ATOM 0 HE2 MET A 183 -4.389 -4.168 -6.152 1.00 0.00 H new ATOM 0 HE3 MET A 183 -5.859 -4.981 -6.739 1.00 0.00 H new ATOM 782 N CYS A 184 -4.128 -8.420 -5.074 1.00 0.00 N ATOM 783 CA CYS A 184 -3.172 -9.492 -5.454 1.00 0.00 C ATOM 784 C CYS A 184 -3.923 -10.816 -5.714 1.00 0.00 C ATOM 785 O CYS A 184 -5.059 -10.804 -6.144 1.00 0.00 O ATOM 786 CB CYS A 184 -2.178 -9.632 -4.304 1.00 0.00 C ATOM 787 SG CYS A 184 -0.477 -9.624 -4.930 1.00 0.00 S ATOM 0 H CYS A 184 -4.074 -7.579 -5.649 1.00 0.00 H new ATOM 0 HA CYS A 184 -2.647 -9.242 -6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -2.315 -8.815 -3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -2.368 -10.559 -3.762 1.00 0.00 H new ATOM 792 N VAL A 185 -3.294 -11.946 -5.471 1.00 0.00 N ATOM 793 CA VAL A 185 -3.954 -13.265 -5.707 1.00 0.00 C ATOM 794 C VAL A 185 -4.226 -13.438 -7.202 1.00 0.00 C ATOM 795 O VAL A 185 -5.309 -13.167 -7.679 1.00 0.00 O ATOM 796 CB VAL A 185 -5.265 -13.344 -4.918 1.00 0.00 C ATOM 797 CG1 VAL A 185 -5.879 -14.736 -5.076 1.00 0.00 C ATOM 798 CG2 VAL A 185 -4.980 -13.083 -3.437 1.00 0.00 C ATOM 0 H VAL A 185 -2.340 -12.006 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 185 -3.295 -14.065 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 185 -5.961 -12.596 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -6.811 -14.788 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -6.080 -14.928 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -5.184 -15.485 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -5.911 -13.138 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -4.283 -13.833 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -4.543 -12.091 -3.320 1.00 0.00 H new ATOM 808 N ASP A 186 -3.227 -13.888 -7.934 1.00 0.00 N ATOM 809 CA ASP A 186 -3.347 -14.109 -9.420 1.00 0.00 C ATOM 810 C ASP A 186 -4.123 -12.973 -10.100 1.00 0.00 C ATOM 811 O ASP A 186 -5.338 -12.982 -10.155 1.00 0.00 O ATOM 812 CB ASP A 186 -4.034 -15.454 -9.698 1.00 0.00 C ATOM 813 CG ASP A 186 -5.418 -15.488 -9.050 1.00 0.00 C ATOM 814 OD1 ASP A 186 -5.491 -15.798 -7.873 1.00 0.00 O ATOM 815 OD2 ASP A 186 -6.382 -15.206 -9.743 1.00 0.00 O ATOM 0 H ASP A 186 -2.309 -14.117 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 186 -2.340 -14.122 -9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -4.125 -15.608 -10.773 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -3.423 -16.269 -9.310 1.00 0.00 H new ATOM 820 N TRP A 187 -3.419 -12.001 -10.625 1.00 0.00 N ATOM 821 CA TRP A 187 -4.098 -10.863 -11.310 1.00 0.00 C ATOM 822 C TRP A 187 -3.195 -10.334 -12.428 1.00 0.00 C ATOM 823 O TRP A 187 -2.343 -9.510 -12.138 1.00 0.00 O ATOM 824 CB TRP A 187 -4.368 -9.746 -10.299 1.00 0.00 C ATOM 825 CG TRP A 187 -5.203 -8.685 -10.939 1.00 0.00 C ATOM 826 CD1 TRP A 187 -4.778 -7.436 -11.237 1.00 0.00 C ATOM 827 CD2 TRP A 187 -6.594 -8.757 -11.366 1.00 0.00 C ATOM 828 NE1 TRP A 187 -5.817 -6.736 -11.821 1.00 0.00 N ATOM 829 CE2 TRP A 187 -6.959 -7.506 -11.923 1.00 0.00 C ATOM 830 CE3 TRP A 187 -7.565 -9.773 -11.328 1.00 0.00 C ATOM 831 CZ2 TRP A 187 -8.241 -7.276 -12.421 1.00 0.00 C ATOM 832 CZ3 TRP A 187 -8.856 -9.544 -11.829 1.00 0.00 C ATOM 833 CH2 TRP A 187 -9.194 -8.297 -12.374 1.00 0.00 C ATOM 834 OXT TRP A 187 -3.371 -10.763 -13.557 1.00 0.00 O ATOM 0 H TRP A 187 -2.401 -11.948 -10.608 1.00 0.00 H new ATOM 0 HA TRP A 187 -5.043 -11.203 -11.734 1.00 0.00 H new ATOM 0 HB2 TRP A 187 -4.880 -10.148 -9.425 1.00 0.00 H new ATOM 0 HB3 TRP A 187 -3.427 -9.322 -9.950 1.00 0.00 H new ATOM 0 HD1 TRP A 187 -3.788 -7.049 -11.049 1.00 0.00 H new ATOM 0 HE1 TRP A 187 -5.749 -5.769 -12.138 1.00 0.00 H new ATOM 0 HE3 TRP A 187 -7.316 -10.737 -10.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 -8.496 -6.314 -12.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 -9.593 -10.333 -11.795 1.00 0.00 H new ATOM 0 HH2 TRP A 187 -10.189 -8.126 -12.757 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -3.896 6.535 -0.265 1.00 0.00 ZN HETATM 847 ZN ZN A 2 0.006 -7.499 -4.175 1.00 0.00 ZN