USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 479 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 Set 1.1: A 139 HIS :FLIP no HD1:sc= 0.096 F(o=-3.5,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.48 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 145 GLN : amide:sc= -8.71! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.233 K(o=0.23,f=-0.82) USER MOD Single : A 149 TYR OH : rot -95:sc= 0.027 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.66! C(o=-8.7!,f=-8.6!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.068) USER MOD Single : A 161 LYS NZ :NH3+ -118:sc= -0.0369 (180deg=-0.404) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 140:sc= 0.0266 (180deg=0) USER MOD Single : A 165 SER OG : rot 180:sc= -0.454! USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 158:sc= -0.221 (180deg=-0.856) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.882 (180deg=-1.56!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -174:sc=-0.00615 (180deg=-0.0683) USER MOD Single : A 188 THR OG1 : rot -157:sc= -0.405 USER MOD Single : A 197 ASN : amide:sc= -0.0787 K(o=-0.079,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 134 17.313 -2.034 3.103 1.00 0.00 N ATOM 19 CA ALA A 134 16.461 -2.887 2.284 1.00 0.00 C ATOM 20 C ALA A 134 15.039 -2.340 2.241 1.00 0.00 C ATOM 21 O ALA A 134 14.725 -1.349 2.901 1.00 0.00 O ATOM 22 CB ALA A 134 16.446 -4.309 2.850 1.00 0.00 C ATOM 0 HA ALA A 134 16.863 -2.904 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.807 -4.940 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.459 -4.710 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.061 -4.291 3.870 1.00 0.00 H new ATOM 28 N CYS A 135 14.182 -2.990 1.461 1.00 0.00 N ATOM 29 CA CYS A 135 12.795 -2.557 1.339 1.00 0.00 C ATOM 30 C CYS A 135 12.111 -2.570 2.703 1.00 0.00 C ATOM 31 O CYS A 135 12.504 -3.318 3.598 1.00 0.00 O ATOM 32 CB CYS A 135 12.049 -3.472 0.365 1.00 0.00 C ATOM 33 SG CYS A 135 12.657 -3.169 -1.317 1.00 0.00 S ATOM 0 H CYS A 135 14.421 -3.813 0.907 1.00 0.00 H new ATOM 0 HA CYS A 135 12.777 -1.537 0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.202 -4.516 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.977 -3.283 0.417 1.00 0.00 H new ATOM 38 N GLN A 136 11.087 -1.728 2.857 1.00 0.00 N ATOM 39 CA GLN A 136 10.349 -1.633 4.121 1.00 0.00 C ATOM 40 C GLN A 136 8.876 -1.946 3.896 1.00 0.00 C ATOM 41 O GLN A 136 8.368 -1.807 2.786 1.00 0.00 O ATOM 42 CB GLN A 136 10.487 -0.223 4.696 1.00 0.00 C ATOM 43 CG GLN A 136 11.932 0.009 5.140 1.00 0.00 C ATOM 44 CD GLN A 136 12.099 1.436 5.650 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.398 1.853 6.571 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.992 2.216 5.100 1.00 0.00 N ATOM 0 H GLN A 136 10.750 -1.103 2.125 1.00 0.00 H new ATOM 0 HA GLN A 136 10.764 -2.356 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.203 0.516 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.811 -0.096 5.542 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.198 -0.700 5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.610 -0.169 4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.572 1.868 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.109 3.173 5.434 1.00 0.00 H new ATOM 55 N PHE A 137 8.194 -2.377 4.957 1.00 0.00 N ATOM 56 CA PHE A 137 6.772 -2.715 4.869 1.00 0.00 C ATOM 57 C PHE A 137 5.924 -1.697 5.630 1.00 0.00 C ATOM 58 O PHE A 137 6.277 -1.279 6.734 1.00 0.00 O ATOM 59 CB PHE A 137 6.544 -4.121 5.444 1.00 0.00 C ATOM 60 CG PHE A 137 5.059 -4.403 5.571 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.228 -4.307 4.448 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.514 -4.753 6.814 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.860 -4.561 4.564 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.142 -5.010 6.931 1.00 0.00 C ATOM 65 CZ PHE A 137 2.315 -4.914 5.805 1.00 0.00 C ATOM 0 H PHE A 137 8.600 -2.500 5.884 1.00 0.00 H new ATOM 0 HA PHE A 137 6.471 -2.695 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.009 -4.866 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.022 -4.204 6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.646 -4.036 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.152 -4.825 7.682 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.222 -4.485 3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.723 -5.282 7.888 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.257 -5.112 5.894 1.00 0.00 H new ATOM 75 N SER A 138 4.800 -1.306 5.030 1.00 0.00 N ATOM 76 CA SER A 138 3.895 -0.338 5.645 1.00 0.00 C ATOM 77 C SER A 138 2.452 -0.622 5.231 1.00 0.00 C ATOM 78 O SER A 138 2.173 -0.882 4.061 1.00 0.00 O ATOM 79 CB SER A 138 4.283 1.078 5.220 1.00 0.00 C ATOM 80 OG SER A 138 3.678 2.017 6.100 1.00 0.00 O ATOM 0 H SER A 138 4.495 -1.646 4.118 1.00 0.00 H new ATOM 0 HA SER A 138 3.974 -0.425 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.367 1.191 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.961 1.263 4.195 1.00 0.00 H new ATOM 0 HG SER A 138 3.927 2.926 5.830 1.00 0.00 H new ATOM 86 N HIS A 139 1.538 -0.572 6.202 1.00 0.00 N ATOM 87 CA HIS A 139 0.118 -0.829 5.937 1.00 0.00 C ATOM 88 C HIS A 139 -0.761 0.236 6.588 1.00 0.00 C ATOM 89 O HIS A 139 -0.331 0.938 7.504 1.00 0.00 O ATOM 90 CB HIS A 139 -0.277 -2.209 6.471 1.00 0.00 C ATOM 91 CG HIS A 139 -0.198 -2.211 7.972 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.107 -1.851 8.935 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.935 -2.627 8.654 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.549 -2.037 10.198 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.681 -2.506 9.971 1.00 0.00 N flip ATOM 0 H HIS A 139 1.753 -0.357 7.176 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.033 -0.797 4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.288 -2.458 6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.385 -2.972 6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.853 -2.983 8.210 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.011 -1.844 11.155 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.347 -2.744 10.706 1.00 0.00 H new ATOM 104 N VAL A 140 -1.996 0.347 6.101 1.00 0.00 N ATOM 105 CA VAL A 140 -2.953 1.329 6.622 1.00 0.00 C ATOM 106 C VAL A 140 -4.322 0.671 6.801 1.00 0.00 C ATOM 107 O VAL A 140 -4.949 0.257 5.827 1.00 0.00 O ATOM 108 CB VAL A 140 -3.054 2.506 5.642 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.235 3.409 6.010 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.763 3.323 5.699 1.00 0.00 C ATOM 0 H VAL A 140 -2.361 -0.232 5.344 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.612 1.697 7.590 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.207 2.114 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.292 4.239 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.160 2.833 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.095 3.799 7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.831 4.160 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.617 3.702 6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.919 2.690 5.423 1.00 0.00 H new ATOM 120 N ASN A 141 -4.782 0.567 8.050 1.00 0.00 N ATOM 121 CA ASN A 141 -6.079 -0.057 8.329 1.00 0.00 C ATOM 122 C ASN A 141 -6.737 0.547 9.574 1.00 0.00 C ATOM 123 O ASN A 141 -6.147 0.560 10.654 1.00 0.00 O ATOM 124 CB ASN A 141 -5.889 -1.567 8.535 1.00 0.00 C ATOM 125 CG ASN A 141 -5.224 -1.846 9.880 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.944 -1.827 10.968 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.020 -2.089 9.942 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.284 0.902 8.875 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.732 0.127 7.476 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.855 -2.070 8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.279 -1.975 7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.458 -2.104 9.091 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.583 -2.276 10.845 1.00 0.00 H new ATOM 134 N SER A 142 -7.975 1.026 9.418 1.00 0.00 N ATOM 135 CA SER A 142 -8.726 1.603 10.540 1.00 0.00 C ATOM 136 C SER A 142 -10.186 1.162 10.470 1.00 0.00 C ATOM 137 O SER A 142 -10.577 0.422 9.567 1.00 0.00 O ATOM 138 CB SER A 142 -8.638 3.134 10.525 1.00 0.00 C ATOM 139 OG SER A 142 -8.891 3.624 11.836 1.00 0.00 O ATOM 0 H SER A 142 -8.478 1.026 8.530 1.00 0.00 H new ATOM 0 HA SER A 142 -8.286 1.244 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.651 3.451 10.188 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.362 3.546 9.822 1.00 0.00 H new ATOM 0 HG SER A 142 -8.835 4.602 11.836 1.00 0.00 H new ATOM 145 N ARG A 143 -10.985 1.616 11.428 1.00 0.00 N ATOM 146 CA ARG A 143 -12.398 1.254 11.465 1.00 0.00 C ATOM 147 C ARG A 143 -13.189 1.984 10.380 1.00 0.00 C ATOM 148 O ARG A 143 -14.101 1.416 9.781 1.00 0.00 O ATOM 149 CB ARG A 143 -12.985 1.596 12.841 1.00 0.00 C ATOM 150 CG ARG A 143 -14.344 0.890 13.030 1.00 0.00 C ATOM 151 CD ARG A 143 -14.138 -0.520 13.603 1.00 0.00 C ATOM 152 NE ARG A 143 -14.003 -0.460 15.055 1.00 0.00 N ATOM 153 CZ ARG A 143 -13.887 -1.565 15.781 1.00 0.00 C ATOM 154 NH1 ARG A 143 -13.894 -2.733 15.198 1.00 0.00 N ATOM 155 NH2 ARG A 143 -13.770 -1.485 17.078 1.00 0.00 N ATOM 0 H ARG A 143 -10.683 2.230 12.184 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.475 0.182 11.283 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.294 1.288 13.626 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.111 2.675 12.933 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -14.974 1.474 13.701 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -14.866 0.829 12.075 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -14.982 -1.156 13.335 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -13.247 -0.971 13.166 1.00 0.00 H new ATOM 0 HE ARG A 143 -13.998 0.448 15.520 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -13.989 -2.796 14.184 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -13.805 -3.582 15.756 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -13.768 -0.573 17.535 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -13.681 -2.335 17.635 1.00 0.00 H new ATOM 169 N ASP A 144 -12.848 3.251 10.144 1.00 0.00 N ATOM 170 CA ASP A 144 -13.551 4.057 9.140 1.00 0.00 C ATOM 171 C ASP A 144 -12.857 3.990 7.780 1.00 0.00 C ATOM 172 O ASP A 144 -13.485 4.221 6.747 1.00 0.00 O ATOM 173 CB ASP A 144 -13.612 5.513 9.603 1.00 0.00 C ATOM 174 CG ASP A 144 -14.465 6.331 8.640 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.563 5.895 8.336 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.008 7.383 8.221 1.00 0.00 O ATOM 0 H ASP A 144 -12.096 3.740 10.629 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.557 3.653 9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.031 5.566 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.606 5.929 9.654 1.00 0.00 H new ATOM 181 N GLN A 145 -11.565 3.690 7.783 1.00 0.00 N ATOM 182 CA GLN A 145 -10.805 3.612 6.539 1.00 0.00 C ATOM 183 C GLN A 145 -11.406 2.563 5.598 1.00 0.00 C ATOM 184 O GLN A 145 -10.873 1.465 5.463 1.00 0.00 O ATOM 185 CB GLN A 145 -9.339 3.268 6.858 1.00 0.00 C ATOM 186 CG GLN A 145 -8.542 4.551 7.150 1.00 0.00 C ATOM 187 CD GLN A 145 -7.067 4.220 7.333 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.202 4.936 6.829 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.730 3.174 8.029 1.00 0.00 N ATOM 0 H GLN A 145 -11.023 3.498 8.625 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.850 4.578 6.036 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.294 2.600 7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.892 2.737 6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.665 5.259 6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.929 5.032 8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.451 2.584 8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.745 2.944 8.159 1.00 0.00 H new ATOM 198 N CYS A 146 -12.516 2.923 4.947 1.00 0.00 N ATOM 199 CA CYS A 146 -13.205 2.026 4.009 1.00 0.00 C ATOM 200 C CYS A 146 -13.225 2.652 2.607 1.00 0.00 C ATOM 201 O CYS A 146 -13.993 3.576 2.343 1.00 0.00 O ATOM 202 CB CYS A 146 -14.638 1.794 4.514 1.00 0.00 C ATOM 203 SG CYS A 146 -15.509 0.623 3.444 1.00 0.00 S ATOM 0 H CYS A 146 -12.960 3.835 5.052 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.681 1.072 3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.612 1.412 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.177 2.741 4.541 1.00 0.00 H new ATOM 208 N ASN A 147 -12.355 2.151 1.716 1.00 0.00 N ATOM 209 CA ASN A 147 -12.256 2.677 0.343 1.00 0.00 C ATOM 210 C ASN A 147 -12.183 1.545 -0.688 1.00 0.00 C ATOM 211 O ASN A 147 -11.957 0.387 -0.340 1.00 0.00 O ATOM 212 CB ASN A 147 -11.007 3.557 0.217 1.00 0.00 C ATOM 213 CG ASN A 147 -10.879 4.457 1.440 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.317 5.606 1.414 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.301 4.000 2.517 1.00 0.00 N ATOM 0 H ASN A 147 -11.712 1.386 1.919 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.152 3.265 0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.119 2.932 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.069 4.164 -0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.212 4.596 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.939 3.047 2.536 1.00 0.00 H new ATOM 222 N ASP A 148 -12.382 1.896 -1.964 1.00 0.00 N ATOM 223 CA ASP A 148 -12.347 0.912 -3.050 1.00 0.00 C ATOM 224 C ASP A 148 -10.919 0.500 -3.398 1.00 0.00 C ATOM 225 O ASP A 148 -9.960 1.209 -3.099 1.00 0.00 O ATOM 226 CB ASP A 148 -13.042 1.475 -4.293 1.00 0.00 C ATOM 227 CG ASP A 148 -12.557 2.890 -4.575 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.164 3.816 -4.061 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.589 3.029 -5.303 1.00 0.00 O ATOM 0 H ASP A 148 -12.568 2.852 -2.268 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.876 0.024 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.839 0.836 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.122 1.476 -4.145 1.00 0.00 H new ATOM 234 N TYR A 149 -10.799 -0.664 -4.034 1.00 0.00 N ATOM 235 CA TYR A 149 -9.500 -1.196 -4.431 1.00 0.00 C ATOM 236 C TYR A 149 -8.652 -0.119 -5.098 1.00 0.00 C ATOM 237 O TYR A 149 -7.553 0.195 -4.639 1.00 0.00 O ATOM 238 CB TYR A 149 -9.705 -2.361 -5.406 1.00 0.00 C ATOM 239 CG TYR A 149 -8.383 -3.023 -5.715 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.908 -4.063 -4.904 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.637 -2.605 -6.824 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.687 -4.681 -5.201 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.417 -3.224 -7.121 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.942 -4.261 -6.310 1.00 0.00 C ATOM 245 OH TYR A 149 -4.740 -4.872 -6.602 1.00 0.00 O ATOM 0 H TYR A 149 -11.590 -1.257 -4.285 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.979 -1.543 -3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.392 -3.089 -4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.162 -1.998 -6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.484 -4.388 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -8.003 -1.805 -7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.320 -5.481 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.842 -2.901 -7.976 1.00 0.00 H new ATOM 0 HH TYR A 149 -4.006 -4.355 -6.209 1.00 0.00 H new ATOM 255 N GLN A 150 -9.167 0.439 -6.190 1.00 0.00 N ATOM 256 CA GLN A 150 -8.446 1.477 -6.920 1.00 0.00 C ATOM 257 C GLN A 150 -8.066 2.626 -5.993 1.00 0.00 C ATOM 258 O GLN A 150 -6.916 3.065 -5.977 1.00 0.00 O ATOM 259 CB GLN A 150 -9.311 2.006 -8.065 1.00 0.00 C ATOM 260 CG GLN A 150 -8.579 3.150 -8.779 1.00 0.00 C ATOM 261 CD GLN A 150 -9.152 3.348 -10.175 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.983 4.229 -10.391 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.748 2.573 -11.137 1.00 0.00 N ATOM 0 H GLN A 150 -10.074 0.192 -6.587 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.533 1.040 -7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.528 1.204 -8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.267 2.358 -7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.678 4.070 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.514 2.927 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.059 1.845 -10.950 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.120 2.693 -12.079 1.00 0.00 H new ATOM 272 N HIS A 151 -9.035 3.109 -5.223 1.00 0.00 N ATOM 273 CA HIS A 151 -8.779 4.206 -4.300 1.00 0.00 C ATOM 274 C HIS A 151 -7.569 3.891 -3.429 1.00 0.00 C ATOM 275 O HIS A 151 -6.676 4.722 -3.269 1.00 0.00 O ATOM 276 CB HIS A 151 -10.011 4.450 -3.410 1.00 0.00 C ATOM 277 CG HIS A 151 -11.015 5.303 -4.143 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.052 5.952 -3.489 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.154 5.622 -5.471 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.760 6.620 -4.417 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.256 6.453 -5.642 1.00 0.00 N ATOM 0 H HIS A 151 -9.994 2.762 -5.220 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.574 5.106 -4.880 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.464 3.498 -3.132 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.710 4.942 -2.485 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.505 5.279 -6.264 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.631 7.219 -4.198 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.604 6.849 -6.515 1.00 0.00 H new ATOM 290 N TRP A 152 -7.548 2.691 -2.857 1.00 0.00 N ATOM 291 CA TRP A 152 -6.438 2.303 -2.000 1.00 0.00 C ATOM 292 C TRP A 152 -5.123 2.339 -2.781 1.00 0.00 C ATOM 293 O TRP A 152 -4.126 2.874 -2.304 1.00 0.00 O ATOM 294 CB TRP A 152 -6.663 0.888 -1.421 1.00 0.00 C ATOM 295 CG TRP A 152 -7.447 0.945 -0.141 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.550 0.201 0.111 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.206 1.743 1.063 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.008 0.495 1.380 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.219 1.440 2.005 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.225 2.695 1.436 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.262 2.054 3.255 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.270 3.307 2.692 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.284 2.994 3.598 1.00 0.00 C ATOM 0 H TRP A 152 -8.274 1.983 -2.969 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.382 3.014 -1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.194 0.274 -2.149 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.701 0.408 -1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -8.999 -0.507 -0.570 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.830 0.066 1.805 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.436 2.950 0.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.046 1.806 3.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.513 4.028 2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.314 3.477 4.563 1.00 0.00 H new ATOM 314 N LYS A 153 -5.129 1.760 -3.973 1.00 0.00 N ATOM 315 CA LYS A 153 -3.928 1.723 -4.803 1.00 0.00 C ATOM 316 C LYS A 153 -3.282 3.102 -4.882 1.00 0.00 C ATOM 317 O LYS A 153 -2.059 3.228 -4.827 1.00 0.00 O ATOM 318 CB LYS A 153 -4.304 1.213 -6.211 1.00 0.00 C ATOM 319 CG LYS A 153 -3.126 0.466 -6.873 1.00 0.00 C ATOM 320 CD LYS A 153 -3.656 -0.471 -7.967 1.00 0.00 C ATOM 321 CE LYS A 153 -4.306 0.344 -9.091 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.336 -0.470 -10.338 1.00 0.00 N ATOM 0 H LYS A 153 -5.946 1.311 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.201 1.045 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.165 0.548 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.601 2.054 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.424 1.181 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.579 -0.107 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.840 -1.072 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.383 -1.163 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.318 0.633 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.747 1.265 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.777 0.081 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.365 -0.724 -10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.887 -1.336 -10.174 1.00 0.00 H new ATOM 336 N ASP A 154 -4.106 4.133 -5.003 1.00 0.00 N ATOM 337 CA ASP A 154 -3.589 5.491 -5.081 1.00 0.00 C ATOM 338 C ASP A 154 -3.116 5.964 -3.709 1.00 0.00 C ATOM 339 O ASP A 154 -2.010 6.483 -3.574 1.00 0.00 O ATOM 340 CB ASP A 154 -4.674 6.434 -5.602 1.00 0.00 C ATOM 341 CG ASP A 154 -4.999 6.103 -7.055 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.286 6.581 -7.924 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.954 5.380 -7.279 1.00 0.00 O ATOM 0 H ASP A 154 -5.122 4.057 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.742 5.498 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.571 6.343 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.338 7.468 -5.522 1.00 0.00 H new ATOM 348 N GLU A 155 -3.958 5.780 -2.696 1.00 0.00 N ATOM 349 CA GLU A 155 -3.614 6.200 -1.339 1.00 0.00 C ATOM 350 C GLU A 155 -2.316 5.541 -0.869 1.00 0.00 C ATOM 351 O GLU A 155 -1.397 6.226 -0.421 1.00 0.00 O ATOM 352 CB GLU A 155 -4.767 5.858 -0.382 1.00 0.00 C ATOM 353 CG GLU A 155 -4.329 6.060 1.085 1.00 0.00 C ATOM 354 CD GLU A 155 -5.530 6.429 1.954 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.612 5.937 1.675 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.350 7.197 2.884 1.00 0.00 O ATOM 0 H GLU A 155 -4.877 5.346 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.457 7.279 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.629 6.489 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.081 4.825 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.866 5.148 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.576 6.846 1.141 1.00 0.00 H new ATOM 363 N ALA A 156 -2.237 4.218 -0.976 1.00 0.00 N ATOM 364 CA ALA A 156 -1.031 3.509 -0.559 1.00 0.00 C ATOM 365 C ALA A 156 0.174 4.094 -1.279 1.00 0.00 C ATOM 366 O ALA A 156 1.280 4.130 -0.737 1.00 0.00 O ATOM 367 CB ALA A 156 -1.152 2.012 -0.876 1.00 0.00 C ATOM 0 H ALA A 156 -2.980 3.623 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.905 3.626 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.244 1.498 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.009 1.596 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.289 1.877 -1.949 1.00 0.00 H new ATOM 373 N GLY A 157 -0.052 4.561 -2.502 1.00 0.00 N ATOM 374 CA GLY A 157 1.016 5.158 -3.290 1.00 0.00 C ATOM 375 C GLY A 157 1.500 6.456 -2.647 1.00 0.00 C ATOM 376 O GLY A 157 2.702 6.670 -2.486 1.00 0.00 O ATOM 0 H GLY A 157 -0.960 4.537 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.846 4.457 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.661 5.357 -4.301 1.00 0.00 H new ATOM 380 N LYS A 158 0.556 7.322 -2.281 1.00 0.00 N ATOM 381 CA LYS A 158 0.905 8.595 -1.656 1.00 0.00 C ATOM 382 C LYS A 158 1.524 8.376 -0.281 1.00 0.00 C ATOM 383 O LYS A 158 2.441 9.094 0.114 1.00 0.00 O ATOM 384 CB LYS A 158 -0.336 9.483 -1.512 1.00 0.00 C ATOM 385 CG LYS A 158 -1.129 9.512 -2.831 1.00 0.00 C ATOM 386 CD LYS A 158 -1.936 10.811 -2.930 1.00 0.00 C ATOM 387 CE LYS A 158 -2.952 10.869 -1.789 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.916 11.979 -2.037 1.00 0.00 N ATOM 0 H LYS A 158 -0.445 7.168 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 158 1.633 9.089 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -0.969 9.108 -0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.038 10.495 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.446 9.433 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.799 8.654 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.268 11.671 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.449 10.861 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.484 9.921 -1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.440 11.023 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.607 12.018 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.401 12.881 -2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.413 11.813 -2.935 1.00 0.00 H new ATOM 402 N GLN A 159 1.017 7.387 0.451 1.00 0.00 N ATOM 403 CA GLN A 159 1.533 7.103 1.787 1.00 0.00 C ATOM 404 C GLN A 159 3.031 6.798 1.726 1.00 0.00 C ATOM 405 O GLN A 159 3.801 7.241 2.577 1.00 0.00 O ATOM 406 CB GLN A 159 0.771 5.914 2.413 1.00 0.00 C ATOM 407 CG GLN A 159 0.640 6.112 3.932 1.00 0.00 C ATOM 408 CD GLN A 159 -0.473 7.110 4.236 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.217 8.174 4.799 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.701 6.828 3.895 1.00 0.00 N ATOM 0 H GLN A 159 0.259 6.776 0.147 1.00 0.00 H new ATOM 0 HA GLN A 159 1.382 7.983 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.218 5.828 1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.298 4.983 2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.425 5.158 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.584 6.471 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.911 5.946 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.451 7.490 4.095 1.00 0.00 H new ATOM 419 N CYS A 160 3.430 6.028 0.722 1.00 0.00 N ATOM 420 CA CYS A 160 4.831 5.663 0.562 1.00 0.00 C ATOM 421 C CYS A 160 5.643 6.823 -0.005 1.00 0.00 C ATOM 422 O CYS A 160 6.750 7.102 0.456 1.00 0.00 O ATOM 423 CB CYS A 160 4.940 4.463 -0.375 1.00 0.00 C ATOM 424 SG CYS A 160 6.591 3.739 -0.243 1.00 0.00 S ATOM 0 H CYS A 160 2.807 5.646 0.010 1.00 0.00 H new ATOM 0 HA CYS A 160 5.232 5.411 1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.185 3.720 -0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.749 4.772 -1.402 1.00 0.00 H new ATOM 429 N LYS A 161 5.091 7.489 -1.013 1.00 0.00 N ATOM 430 CA LYS A 161 5.778 8.609 -1.646 1.00 0.00 C ATOM 431 C LYS A 161 6.018 9.739 -0.651 1.00 0.00 C ATOM 432 O LYS A 161 7.140 10.226 -0.513 1.00 0.00 O ATOM 433 CB LYS A 161 4.950 9.131 -2.822 1.00 0.00 C ATOM 434 CG LYS A 161 4.969 8.104 -3.956 1.00 0.00 C ATOM 435 CD LYS A 161 3.909 8.473 -4.996 1.00 0.00 C ATOM 436 CE LYS A 161 3.919 7.440 -6.125 1.00 0.00 C ATOM 437 NZ LYS A 161 3.457 6.125 -5.598 1.00 0.00 N ATOM 0 H LYS A 161 4.175 7.275 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 161 6.744 8.254 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.924 9.318 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.354 10.081 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.955 8.077 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.775 7.107 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.924 8.508 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 161 4.108 9.467 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 161 3.270 7.767 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 161 4.923 7.346 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 4.220 5.425 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 3.203 6.223 -4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 2.625 5.808 -6.136 1.00 0.00 H new ATOM 451 N THR A 162 4.961 10.154 0.038 1.00 0.00 N ATOM 452 CA THR A 162 5.082 11.233 1.013 1.00 0.00 C ATOM 453 C THR A 162 6.046 10.838 2.129 1.00 0.00 C ATOM 454 O THR A 162 6.706 11.691 2.723 1.00 0.00 O ATOM 455 CB THR A 162 3.705 11.577 1.600 1.00 0.00 C ATOM 456 OG1 THR A 162 3.783 12.819 2.283 1.00 0.00 O ATOM 457 CG2 THR A 162 3.257 10.487 2.575 1.00 0.00 C ATOM 0 H THR A 162 4.022 9.766 -0.058 1.00 0.00 H new ATOM 0 HA THR A 162 5.478 12.113 0.507 1.00 0.00 H new ATOM 0 HB THR A 162 2.980 11.645 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.905 13.042 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.280 10.744 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.192 9.534 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.980 10.406 3.387 1.00 0.00 H new ATOM 465 N LYS A 163 6.126 9.540 2.404 1.00 0.00 N ATOM 466 CA LYS A 163 7.016 9.044 3.446 1.00 0.00 C ATOM 467 C LYS A 163 8.456 9.022 2.942 1.00 0.00 C ATOM 468 O LYS A 163 8.702 8.917 1.740 1.00 0.00 O ATOM 469 CB LYS A 163 6.589 7.633 3.873 1.00 0.00 C ATOM 470 CG LYS A 163 5.392 7.721 4.836 1.00 0.00 C ATOM 471 CD LYS A 163 5.850 8.189 6.251 1.00 0.00 C ATOM 472 CE LYS A 163 5.147 9.497 6.644 1.00 0.00 C ATOM 473 NZ LYS A 163 5.370 9.764 8.094 1.00 0.00 N ATOM 0 H LYS A 163 5.589 8.818 1.923 1.00 0.00 H new ATOM 0 HA LYS A 163 6.954 9.710 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.320 7.043 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.421 7.122 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.652 8.417 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.907 6.748 4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.626 7.415 6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.930 8.334 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.533 10.323 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 163 4.079 9.425 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 4.894 10.649 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 4.981 8.979 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.390 9.850 8.278 1.00 0.00 H new ATOM 487 N LYS A 164 9.402 9.126 3.870 1.00 0.00 N ATOM 488 CA LYS A 164 10.820 9.123 3.520 1.00 0.00 C ATOM 489 C LYS A 164 11.638 8.424 4.600 1.00 0.00 C ATOM 490 O LYS A 164 11.151 8.183 5.705 1.00 0.00 O ATOM 491 CB LYS A 164 11.322 10.563 3.356 1.00 0.00 C ATOM 492 CG LYS A 164 10.848 11.436 4.544 1.00 0.00 C ATOM 493 CD LYS A 164 9.526 12.141 4.207 1.00 0.00 C ATOM 494 CE LYS A 164 9.155 13.095 5.343 1.00 0.00 C ATOM 495 NZ LYS A 164 7.892 13.808 5.002 1.00 0.00 N ATOM 0 H LYS A 164 9.214 9.213 4.869 1.00 0.00 H new ATOM 0 HA LYS A 164 10.940 8.584 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.411 10.572 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.952 10.980 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.719 10.814 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.610 12.177 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.623 12.692 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.735 11.405 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.032 12.540 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 164 9.958 13.814 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 7.297 13.886 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.116 14.760 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 7.381 13.277 4.269 1.00 0.00 H new ATOM 509 N SER A 165 12.885 8.105 4.273 1.00 0.00 N ATOM 510 CA SER A 165 13.769 7.437 5.221 1.00 0.00 C ATOM 511 C SER A 165 14.347 8.448 6.207 1.00 0.00 C ATOM 512 O SER A 165 13.955 9.615 6.212 1.00 0.00 O ATOM 513 CB SER A 165 14.905 6.740 4.469 1.00 0.00 C ATOM 514 OG SER A 165 15.907 6.342 5.395 1.00 0.00 O ATOM 0 H SER A 165 13.305 8.297 3.364 1.00 0.00 H new ATOM 0 HA SER A 165 13.194 6.694 5.774 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.523 5.871 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.329 7.412 3.723 1.00 0.00 H new ATOM 0 HG SER A 165 16.635 5.894 4.916 1.00 0.00 H new ATOM 520 N LYS A 166 15.277 7.995 7.040 1.00 0.00 N ATOM 521 CA LYS A 166 15.896 8.873 8.027 1.00 0.00 C ATOM 522 C LYS A 166 16.671 9.992 7.337 1.00 0.00 C ATOM 523 O LYS A 166 16.775 11.102 7.860 1.00 0.00 O ATOM 524 CB LYS A 166 16.845 8.065 8.922 1.00 0.00 C ATOM 525 CG LYS A 166 17.280 8.907 10.136 1.00 0.00 C ATOM 526 CD LYS A 166 16.240 8.805 11.260 1.00 0.00 C ATOM 527 CE LYS A 166 16.776 9.503 12.511 1.00 0.00 C ATOM 528 NZ LYS A 166 15.736 9.475 13.579 1.00 0.00 N ATOM 0 H LYS A 166 15.617 7.033 7.053 1.00 0.00 H new ATOM 0 HA LYS A 166 15.109 9.316 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 166 16.350 7.155 9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.721 7.758 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 166 18.249 8.563 10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.402 9.949 9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.303 9.265 10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 166 16.025 7.759 11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 166 17.682 9.006 12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 166 17.046 10.533 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 16.100 9.949 14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.883 9.968 13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.499 8.488 13.807 1.00 0.00 H new ATOM 542 N GLY A 167 17.217 9.691 6.160 1.00 0.00 N ATOM 543 CA GLY A 167 17.987 10.679 5.402 1.00 0.00 C ATOM 544 C GLY A 167 17.095 11.435 4.421 1.00 0.00 C ATOM 545 O GLY A 167 17.532 11.803 3.330 1.00 0.00 O ATOM 0 H GLY A 167 17.142 8.778 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.457 11.383 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.790 10.180 4.859 1.00 0.00 H new ATOM 549 N ASN A 168 15.846 11.663 4.814 1.00 0.00 N ATOM 550 CA ASN A 168 14.903 12.376 3.955 1.00 0.00 C ATOM 551 C ASN A 168 14.983 11.855 2.523 1.00 0.00 C ATOM 552 O ASN A 168 14.950 12.628 1.567 1.00 0.00 O ATOM 553 CB ASN A 168 15.215 13.875 3.973 1.00 0.00 C ATOM 554 CG ASN A 168 15.145 14.404 5.400 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.103 15.004 5.889 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.063 14.218 6.104 1.00 0.00 N ATOM 0 H ASN A 168 15.464 11.368 5.713 1.00 0.00 H new ATOM 0 HA ASN A 168 13.895 12.209 4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.207 14.053 3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.505 14.410 3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.010 14.570 7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.270 13.721 5.699 1.00 0.00 H new ATOM 563 N LYS A 169 15.089 10.537 2.387 1.00 0.00 N ATOM 564 CA LYS A 169 15.177 9.906 1.070 1.00 0.00 C ATOM 565 C LYS A 169 13.772 9.662 0.510 1.00 0.00 C ATOM 566 O LYS A 169 12.787 10.175 1.040 1.00 0.00 O ATOM 567 CB LYS A 169 15.959 8.576 1.191 1.00 0.00 C ATOM 568 CG LYS A 169 16.930 8.406 0.008 1.00 0.00 C ATOM 569 CD LYS A 169 17.340 6.936 -0.116 1.00 0.00 C ATOM 570 CE LYS A 169 18.287 6.767 -1.306 1.00 0.00 C ATOM 571 NZ LYS A 169 19.351 7.809 -1.246 1.00 0.00 N ATOM 0 H LYS A 169 15.116 9.884 3.170 1.00 0.00 H new ATOM 0 HA LYS A 169 15.707 10.565 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.514 8.559 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.261 7.739 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.456 8.740 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.812 9.028 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 169 17.829 6.606 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 169 16.457 6.311 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.735 5.773 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 169 17.733 6.852 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 20.176 7.495 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.988 8.699 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 19.632 7.962 -0.256 1.00 0.00 H new ATOM 585 N ASP A 170 13.687 8.879 -0.566 1.00 0.00 N ATOM 586 CA ASP A 170 12.401 8.569 -1.197 1.00 0.00 C ATOM 587 C ASP A 170 12.249 7.063 -1.375 1.00 0.00 C ATOM 588 O ASP A 170 13.238 6.332 -1.417 1.00 0.00 O ATOM 589 CB ASP A 170 12.313 9.255 -2.561 1.00 0.00 C ATOM 590 CG ASP A 170 10.873 9.241 -3.062 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.031 9.828 -2.402 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.632 8.645 -4.098 1.00 0.00 O ATOM 0 H ASP A 170 14.492 8.447 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 170 11.600 8.934 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.670 10.282 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.960 8.746 -3.275 1.00 0.00 H new ATOM 597 N MET A 171 11.005 6.601 -1.478 1.00 0.00 N ATOM 598 CA MET A 171 10.733 5.174 -1.648 1.00 0.00 C ATOM 599 C MET A 171 9.465 4.960 -2.471 1.00 0.00 C ATOM 600 O MET A 171 8.460 5.639 -2.271 1.00 0.00 O ATOM 601 CB MET A 171 10.560 4.506 -0.282 1.00 0.00 C ATOM 602 CG MET A 171 11.790 4.780 0.588 1.00 0.00 C ATOM 603 SD MET A 171 11.724 3.748 2.076 1.00 0.00 S ATOM 604 CE MET A 171 11.932 2.137 1.275 1.00 0.00 C ATOM 0 H MET A 171 10.173 7.190 -1.447 1.00 0.00 H new ATOM 0 HA MET A 171 11.579 4.729 -2.172 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.664 4.887 0.208 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.423 3.432 -0.407 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.700 4.568 0.026 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.825 5.834 0.865 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.237 1.399 2.017 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.988 1.830 0.824 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.696 2.211 0.501 1.00 0.00 H new ATOM 614 N ILE A 172 9.518 3.994 -3.387 1.00 0.00 N ATOM 615 CA ILE A 172 8.368 3.673 -4.229 1.00 0.00 C ATOM 616 C ILE A 172 7.541 2.581 -3.567 1.00 0.00 C ATOM 617 O ILE A 172 7.802 2.212 -2.425 1.00 0.00 O ATOM 618 CB ILE A 172 8.839 3.205 -5.617 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.640 1.896 -5.507 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.731 4.281 -6.236 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.925 1.357 -6.911 1.00 0.00 C ATOM 0 H ILE A 172 10.343 3.422 -3.564 1.00 0.00 H new ATOM 0 HA ILE A 172 7.756 4.567 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 172 7.963 3.032 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.575 2.072 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.079 1.161 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.067 3.953 -7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.167 5.208 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.596 4.450 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.493 0.429 -6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.983 1.166 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.502 2.091 -7.472 1.00 0.00 H new ATOM 633 N VAL A 173 6.560 2.051 -4.296 1.00 0.00 N ATOM 634 CA VAL A 173 5.715 0.971 -3.777 1.00 0.00 C ATOM 635 C VAL A 173 5.969 -0.300 -4.580 1.00 0.00 C ATOM 636 O VAL A 173 5.589 -0.403 -5.747 1.00 0.00 O ATOM 637 CB VAL A 173 4.232 1.365 -3.857 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.355 0.148 -3.539 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.941 2.483 -2.841 1.00 0.00 C ATOM 0 H VAL A 173 6.330 2.349 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 173 5.964 0.792 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 173 4.009 1.719 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.304 0.432 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.557 -0.644 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.579 -0.210 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.889 2.762 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.168 2.129 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.559 3.351 -3.068 1.00 0.00 H new ATOM 649 N ARG A 174 6.632 -1.255 -3.941 1.00 0.00 N ATOM 650 CA ARG A 174 6.964 -2.518 -4.587 1.00 0.00 C ATOM 651 C ARG A 174 5.728 -3.417 -4.695 1.00 0.00 C ATOM 652 O ARG A 174 5.356 -3.842 -5.789 1.00 0.00 O ATOM 653 CB ARG A 174 8.096 -3.204 -3.787 1.00 0.00 C ATOM 654 CG ARG A 174 8.019 -4.735 -3.898 1.00 0.00 C ATOM 655 CD ARG A 174 9.358 -5.347 -3.484 1.00 0.00 C ATOM 656 NE ARG A 174 10.385 -5.030 -4.469 1.00 0.00 N ATOM 657 CZ ARG A 174 11.644 -5.419 -4.299 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.978 -6.102 -3.237 1.00 0.00 N ATOM 659 NH2 ARG A 174 12.546 -5.120 -5.191 1.00 0.00 N ATOM 0 H ARG A 174 6.951 -1.179 -2.975 1.00 0.00 H new ATOM 0 HA ARG A 174 7.310 -2.331 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.063 -2.860 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.031 -2.911 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.221 -5.116 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.776 -5.024 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.653 -4.967 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.257 -6.428 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 174 10.133 -4.500 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.272 -6.336 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.944 -6.401 -3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 174 12.286 -4.587 -6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 174 13.512 -5.419 -5.059 1.00 0.00 H new ATOM 673 N SER A 175 5.101 -3.711 -3.555 1.00 0.00 N ATOM 674 CA SER A 175 3.911 -4.574 -3.532 1.00 0.00 C ATOM 675 C SER A 175 2.684 -3.793 -3.075 1.00 0.00 C ATOM 676 O SER A 175 2.801 -2.685 -2.552 1.00 0.00 O ATOM 677 CB SER A 175 4.146 -5.755 -2.587 1.00 0.00 C ATOM 678 OG SER A 175 3.221 -6.790 -2.892 1.00 0.00 O ATOM 0 H SER A 175 5.392 -3.369 -2.639 1.00 0.00 H new ATOM 0 HA SER A 175 3.734 -4.941 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.167 -6.122 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.025 -5.437 -1.551 1.00 0.00 H new ATOM 0 HG SER A 175 3.369 -7.549 -2.290 1.00 0.00 H new ATOM 684 N PHE A 176 1.507 -4.380 -3.275 1.00 0.00 N ATOM 685 CA PHE A 176 0.267 -3.728 -2.873 1.00 0.00 C ATOM 686 C PHE A 176 -0.912 -4.697 -2.980 1.00 0.00 C ATOM 687 O PHE A 176 -1.087 -5.382 -3.989 1.00 0.00 O ATOM 688 CB PHE A 176 0.046 -2.474 -3.744 1.00 0.00 C ATOM 689 CG PHE A 176 -1.416 -2.072 -3.760 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.936 -1.285 -2.732 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.250 -2.493 -4.803 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.279 -0.920 -2.735 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.601 -2.124 -4.810 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.116 -1.336 -3.772 1.00 0.00 C ATOM 0 H PHE A 176 1.387 -5.296 -3.708 1.00 0.00 H new ATOM 0 HA PHE A 176 0.339 -3.421 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.649 -1.650 -3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.384 -2.670 -4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.292 -0.957 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.852 -3.102 -5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.674 -0.314 -1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.245 -2.446 -5.615 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.158 -1.051 -3.774 1.00 0.00 H new ATOM 704 N ALA A 177 -1.716 -4.737 -1.921 1.00 0.00 N ATOM 705 CA ALA A 177 -2.889 -5.609 -1.871 1.00 0.00 C ATOM 706 C ALA A 177 -3.776 -5.203 -0.700 1.00 0.00 C ATOM 707 O ALA A 177 -3.269 -4.851 0.356 1.00 0.00 O ATOM 708 CB ALA A 177 -2.451 -7.065 -1.699 1.00 0.00 C ATOM 0 H ALA A 177 -1.577 -4.174 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.446 -5.511 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.331 -7.708 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.822 -7.358 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.888 -7.168 -0.772 1.00 0.00 H new ATOM 714 N VAL A 178 -5.094 -5.247 -0.884 1.00 0.00 N ATOM 715 CA VAL A 178 -6.002 -4.852 0.194 1.00 0.00 C ATOM 716 C VAL A 178 -5.942 -5.847 1.349 1.00 0.00 C ATOM 717 O VAL A 178 -5.417 -6.951 1.201 1.00 0.00 O ATOM 718 CB VAL A 178 -7.441 -4.721 -0.321 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.532 -3.530 -1.282 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.865 -6.005 -1.046 1.00 0.00 C ATOM 0 H VAL A 178 -5.550 -5.544 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.678 -3.878 0.561 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.109 -4.560 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.554 -3.436 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.249 -2.617 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.858 -3.689 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.888 -5.898 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.199 -6.183 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.809 -6.847 -0.357 1.00 0.00 H new ATOM 730 N LEU A 179 -6.452 -5.432 2.515 1.00 0.00 N ATOM 731 CA LEU A 179 -6.419 -6.279 3.713 1.00 0.00 C ATOM 732 C LEU A 179 -7.814 -6.736 4.135 1.00 0.00 C ATOM 733 O LEU A 179 -8.346 -7.717 3.614 1.00 0.00 O ATOM 734 CB LEU A 179 -5.784 -5.499 4.881 1.00 0.00 C ATOM 735 CG LEU A 179 -4.258 -5.391 4.715 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.670 -4.484 5.838 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.616 -6.807 4.760 1.00 0.00 C ATOM 0 H LEU A 179 -6.890 -4.521 2.654 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.829 -7.162 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.218 -4.501 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.015 -5.997 5.823 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.031 -4.941 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.589 -4.410 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.112 -3.490 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.897 -4.917 6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.536 -6.721 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.840 -7.278 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.022 -7.416 3.952 1.00 0.00 H new ATOM 749 N GLU A 180 -8.375 -6.038 5.121 1.00 0.00 N ATOM 750 CA GLU A 180 -9.683 -6.394 5.660 1.00 0.00 C ATOM 751 C GLU A 180 -10.813 -6.047 4.682 1.00 0.00 C ATOM 752 O GLU A 180 -10.724 -5.054 3.960 1.00 0.00 O ATOM 753 CB GLU A 180 -9.912 -5.655 6.979 1.00 0.00 C ATOM 754 CG GLU A 180 -9.001 -6.241 8.060 1.00 0.00 C ATOM 755 CD GLU A 180 -8.990 -5.330 9.284 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.051 -4.852 9.651 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.923 -5.125 9.835 1.00 0.00 O ATOM 0 H GLU A 180 -7.944 -5.225 5.561 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.695 -7.472 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.706 -4.592 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.956 -5.744 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.348 -7.236 8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.989 -6.354 7.672 1.00 0.00 H new ATOM 764 N PRO A 181 -11.874 -6.829 4.650 1.00 0.00 N ATOM 765 CA PRO A 181 -13.035 -6.573 3.747 1.00 0.00 C ATOM 766 C PRO A 181 -13.985 -5.499 4.289 1.00 0.00 C ATOM 767 O PRO A 181 -14.189 -5.373 5.496 1.00 0.00 O ATOM 768 CB PRO A 181 -13.732 -7.933 3.701 1.00 0.00 C ATOM 769 CG PRO A 181 -13.505 -8.497 5.062 1.00 0.00 C ATOM 770 CD PRO A 181 -12.096 -8.051 5.459 1.00 0.00 C ATOM 0 HA PRO A 181 -12.723 -6.195 2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.795 -7.830 3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.308 -8.573 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.248 -8.127 5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.585 -9.584 5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.028 -7.842 6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.355 -8.819 5.236 1.00 0.00 H new ATOM 778 N CYS A 182 -14.566 -4.746 3.364 1.00 0.00 N ATOM 779 CA CYS A 182 -15.521 -3.677 3.679 1.00 0.00 C ATOM 780 C CYS A 182 -16.716 -3.812 2.736 1.00 0.00 C ATOM 781 O CYS A 182 -16.846 -4.828 2.056 1.00 0.00 O ATOM 782 CB CYS A 182 -14.860 -2.304 3.523 1.00 0.00 C ATOM 783 SG CYS A 182 -15.679 -1.065 4.553 1.00 0.00 S ATOM 0 H CYS A 182 -14.390 -4.856 2.365 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.854 -3.765 4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.807 -2.371 3.797 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.898 -1.995 2.478 1.00 0.00 H new ATOM 788 N ALA A 183 -17.591 -2.808 2.721 1.00 0.00 N ATOM 789 CA ALA A 183 -18.786 -2.841 1.866 1.00 0.00 C ATOM 790 C ALA A 183 -18.511 -3.544 0.529 1.00 0.00 C ATOM 791 O ALA A 183 -17.361 -3.709 0.127 1.00 0.00 O ATOM 792 CB ALA A 183 -19.261 -1.412 1.594 1.00 0.00 C ATOM 0 H ALA A 183 -17.500 -1.964 3.286 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.556 -3.404 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.147 -1.438 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.504 -0.924 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.471 -0.855 1.090 1.00 0.00 H new ATOM 798 N LEU A 184 -19.597 -3.964 -0.131 1.00 0.00 N ATOM 799 CA LEU A 184 -19.541 -4.685 -1.417 1.00 0.00 C ATOM 800 C LEU A 184 -18.176 -4.585 -2.110 1.00 0.00 C ATOM 801 O LEU A 184 -17.471 -5.585 -2.241 1.00 0.00 O ATOM 802 CB LEU A 184 -20.635 -4.136 -2.348 1.00 0.00 C ATOM 803 CG LEU A 184 -21.079 -5.211 -3.353 1.00 0.00 C ATOM 804 CD1 LEU A 184 -22.163 -4.632 -4.266 1.00 0.00 C ATOM 805 CD2 LEU A 184 -19.881 -5.661 -4.201 1.00 0.00 C ATOM 0 H LEU A 184 -20.546 -3.814 0.210 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.704 -5.741 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.490 -3.806 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.261 -3.263 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.475 -6.070 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -22.481 -5.391 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -23.017 -4.320 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -21.764 -3.772 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -20.203 -6.423 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -19.478 -4.806 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -19.110 -6.074 -3.551 1.00 0.00 H new ATOM 817 N ASP A 185 -17.811 -3.384 -2.561 1.00 0.00 N ATOM 818 CA ASP A 185 -16.528 -3.179 -3.250 1.00 0.00 C ATOM 819 C ASP A 185 -15.667 -2.181 -2.486 1.00 0.00 C ATOM 820 O ASP A 185 -15.432 -1.068 -2.952 1.00 0.00 O ATOM 821 CB ASP A 185 -16.778 -2.651 -4.664 1.00 0.00 C ATOM 822 CG ASP A 185 -17.527 -1.324 -4.600 1.00 0.00 C ATOM 823 OD1 ASP A 185 -18.665 -1.328 -4.161 1.00 0.00 O ATOM 824 OD2 ASP A 185 -16.950 -0.322 -4.992 1.00 0.00 O ATOM 0 H ASP A 185 -18.378 -2.542 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 185 -16.006 -4.134 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -15.830 -2.518 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.356 -3.377 -5.235 1.00 0.00 H new ATOM 829 N MET A 186 -15.208 -2.588 -1.305 1.00 0.00 N ATOM 830 CA MET A 186 -14.386 -1.719 -0.472 1.00 0.00 C ATOM 831 C MET A 186 -13.574 -2.534 0.534 1.00 0.00 C ATOM 832 O MET A 186 -13.881 -3.697 0.795 1.00 0.00 O ATOM 833 CB MET A 186 -15.279 -0.710 0.268 1.00 0.00 C ATOM 834 CG MET A 186 -15.818 0.348 -0.701 1.00 0.00 C ATOM 835 SD MET A 186 -16.352 1.799 0.244 1.00 0.00 S ATOM 836 CE MET A 186 -15.968 3.047 -1.009 1.00 0.00 C ATOM 0 H MET A 186 -15.391 -3.509 -0.906 1.00 0.00 H new ATOM 0 HA MET A 186 -13.690 -1.182 -1.117 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.110 -1.232 0.743 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.710 -0.227 1.062 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.047 0.629 -1.418 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.653 -0.056 -1.273 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.123 4.042 -0.591 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.929 2.942 -1.320 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.620 2.910 -1.871 1.00 0.00 H new ATOM 846 N PHE A 187 -12.532 -1.909 1.098 1.00 0.00 N ATOM 847 CA PHE A 187 -11.671 -2.575 2.085 1.00 0.00 C ATOM 848 C PHE A 187 -11.413 -1.665 3.289 1.00 0.00 C ATOM 849 O PHE A 187 -11.111 -0.482 3.132 1.00 0.00 O ATOM 850 CB PHE A 187 -10.355 -2.957 1.416 1.00 0.00 C ATOM 851 CG PHE A 187 -10.673 -3.892 0.283 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.783 -5.266 0.522 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.894 -3.383 -1.001 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.107 -6.133 -0.524 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.221 -4.249 -2.047 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.328 -5.625 -1.811 1.00 0.00 C ATOM 0 H PHE A 187 -12.265 -0.947 0.889 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.172 -3.472 2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.842 -2.069 1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.687 -3.437 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.617 -5.656 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.812 -2.322 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.187 -7.194 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.391 -3.857 -3.039 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.581 -6.294 -2.620 1.00 0.00 H new ATOM 866 N THR A 188 -11.561 -2.226 4.493 1.00 0.00 N ATOM 867 CA THR A 188 -11.372 -1.454 5.722 1.00 0.00 C ATOM 868 C THR A 188 -9.907 -1.055 5.900 1.00 0.00 C ATOM 869 O THR A 188 -9.595 -0.151 6.676 1.00 0.00 O ATOM 870 CB THR A 188 -11.837 -2.255 6.967 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.708 -2.691 7.710 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.663 -3.476 6.551 1.00 0.00 C ATOM 0 H THR A 188 -11.809 -3.204 4.641 1.00 0.00 H new ATOM 0 HA THR A 188 -11.981 -0.554 5.631 1.00 0.00 H new ATOM 0 HB THR A 188 -12.456 -1.600 7.580 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.956 -3.465 8.258 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.978 -4.022 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.542 -3.149 5.996 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.058 -4.127 5.921 1.00 0.00 H new ATOM 880 N GLY A 189 -9.014 -1.737 5.193 1.00 0.00 N ATOM 881 CA GLY A 189 -7.591 -1.443 5.302 1.00 0.00 C ATOM 882 C GLY A 189 -6.817 -2.047 4.142 1.00 0.00 C ATOM 883 O GLY A 189 -7.320 -2.925 3.441 1.00 0.00 O ATOM 0 H GLY A 189 -9.246 -2.489 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.440 -0.364 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.206 -1.835 6.243 1.00 0.00 H new ATOM 887 N VAL A 190 -5.588 -1.570 3.939 1.00 0.00 N ATOM 888 CA VAL A 190 -4.757 -2.076 2.845 1.00 0.00 C ATOM 889 C VAL A 190 -3.285 -2.169 3.246 1.00 0.00 C ATOM 890 O VAL A 190 -2.772 -1.326 3.980 1.00 0.00 O ATOM 891 CB VAL A 190 -4.909 -1.165 1.614 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.465 0.260 1.967 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.066 -1.696 0.424 1.00 0.00 C ATOM 0 H VAL A 190 -5.151 -0.845 4.508 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.098 -3.083 2.604 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.958 -1.159 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.574 0.902 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.084 0.643 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.421 0.249 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.190 -1.035 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.014 -1.727 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.400 -2.699 0.160 1.00 0.00 H new ATOM 903 N GLU A 191 -2.611 -3.205 2.740 1.00 0.00 N ATOM 904 CA GLU A 191 -1.189 -3.419 3.019 1.00 0.00 C ATOM 905 C GLU A 191 -0.367 -3.202 1.753 1.00 0.00 C ATOM 906 O GLU A 191 -0.781 -3.592 0.662 1.00 0.00 O ATOM 907 CB GLU A 191 -0.970 -4.842 3.559 1.00 0.00 C ATOM 908 CG GLU A 191 -1.229 -5.902 2.479 1.00 0.00 C ATOM 909 CD GLU A 191 -0.931 -7.289 3.040 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.060 -7.390 3.888 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.581 -8.229 2.615 1.00 0.00 O ATOM 0 H GLU A 191 -3.029 -3.910 2.133 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.863 -2.702 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.051 -4.939 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.632 -5.016 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.265 -5.849 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.603 -5.709 1.608 1.00 0.00 H new ATOM 918 N PHE A 192 0.802 -2.582 1.902 1.00 0.00 N ATOM 919 CA PHE A 192 1.669 -2.331 0.753 1.00 0.00 C ATOM 920 C PHE A 192 3.128 -2.245 1.180 1.00 0.00 C ATOM 921 O PHE A 192 3.443 -1.773 2.273 1.00 0.00 O ATOM 922 CB PHE A 192 1.262 -1.040 0.036 1.00 0.00 C ATOM 923 CG PHE A 192 1.144 0.107 1.015 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.064 0.162 1.905 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.104 1.130 1.016 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.053 1.233 2.798 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.983 2.202 1.908 1.00 0.00 C ATOM 928 CZ PHE A 192 0.905 2.252 2.799 1.00 0.00 C ATOM 0 H PHE A 192 1.167 -2.248 2.794 1.00 0.00 H new ATOM 0 HA PHE A 192 1.555 -3.168 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.999 -0.796 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.310 -1.187 -0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.679 -0.622 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.936 1.090 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.884 1.273 3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.721 2.990 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.813 3.078 3.488 1.00 0.00 H new ATOM 938 N VAL A 193 4.015 -2.710 0.303 1.00 0.00 N ATOM 939 CA VAL A 193 5.455 -2.694 0.583 1.00 0.00 C ATOM 940 C VAL A 193 6.126 -1.526 -0.127 1.00 0.00 C ATOM 941 O VAL A 193 5.691 -1.105 -1.199 1.00 0.00 O ATOM 942 CB VAL A 193 6.097 -4.004 0.112 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.617 -3.935 0.301 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.538 -5.169 0.934 1.00 0.00 C ATOM 0 H VAL A 193 3.766 -3.102 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 193 5.591 -2.584 1.659 1.00 0.00 H new ATOM 0 HB VAL A 193 5.871 -4.155 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.068 -4.869 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.019 -3.107 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.846 -3.781 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.994 -6.101 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.764 -5.012 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.458 -5.224 0.799 1.00 0.00 H new ATOM 954 N CYS A 194 7.195 -1.011 0.478 1.00 0.00 N ATOM 955 CA CYS A 194 7.945 0.109 -0.097 1.00 0.00 C ATOM 956 C CYS A 194 9.382 -0.309 -0.384 1.00 0.00 C ATOM 957 O CYS A 194 9.919 -1.196 0.276 1.00 0.00 O ATOM 958 CB CYS A 194 7.947 1.288 0.878 1.00 0.00 C ATOM 959 SG CYS A 194 6.319 2.078 0.874 1.00 0.00 S ATOM 0 H CYS A 194 7.563 -1.350 1.367 1.00 0.00 H new ATOM 0 HA CYS A 194 7.465 0.406 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.193 0.943 1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.713 2.009 0.592 1.00 0.00 H new ATOM 964 N CYS A 195 10.006 0.338 -1.372 1.00 0.00 N ATOM 965 CA CYS A 195 11.391 0.020 -1.735 1.00 0.00 C ATOM 966 C CYS A 195 12.163 1.306 -2.080 1.00 0.00 C ATOM 967 O CYS A 195 11.583 2.248 -2.618 1.00 0.00 O ATOM 968 CB CYS A 195 11.392 -0.932 -2.935 1.00 0.00 C ATOM 969 SG CYS A 195 11.020 -2.611 -2.361 1.00 0.00 S ATOM 0 H CYS A 195 9.580 1.078 -1.930 1.00 0.00 H new ATOM 0 HA CYS A 195 11.883 -0.460 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.652 -0.613 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.362 -0.911 -3.431 1.00 0.00 H new ATOM 974 N PRO A 196 13.447 1.374 -1.781 1.00 0.00 N ATOM 975 CA PRO A 196 14.278 2.585 -2.070 1.00 0.00 C ATOM 976 C PRO A 196 14.647 2.703 -3.549 1.00 0.00 C ATOM 977 O PRO A 196 15.435 3.568 -3.933 1.00 0.00 O ATOM 978 CB PRO A 196 15.525 2.364 -1.209 1.00 0.00 C ATOM 979 CG PRO A 196 15.681 0.881 -1.166 1.00 0.00 C ATOM 980 CD PRO A 196 14.258 0.317 -1.137 1.00 0.00 C ATOM 0 HA PRO A 196 13.749 3.511 -1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.401 2.844 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.398 2.780 -0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.228 0.519 -2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.243 0.572 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.190 -0.626 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.925 0.123 -0.117 1.00 0.00 H new ATOM 988 N ASN A 197 14.077 1.833 -4.371 1.00 0.00 N ATOM 989 CA ASN A 197 14.359 1.854 -5.801 1.00 0.00 C ATOM 990 C ASN A 197 14.262 3.279 -6.341 1.00 0.00 C ATOM 991 O ASN A 197 13.155 3.712 -6.616 1.00 0.00 O ATOM 992 CB ASN A 197 13.364 0.951 -6.533 1.00 0.00 C ATOM 993 CG ASN A 197 13.758 -0.514 -6.377 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.868 -0.820 -5.945 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.903 -1.441 -6.709 1.00 0.00 N ATOM 996 OXT ASN A 197 15.295 3.915 -6.472 1.00 0.00 O ATOM 0 H ASN A 197 13.422 1.109 -4.076 1.00 0.00 H new ATOM 0 HA ASN A 197 15.372 1.487 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.361 1.108 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.334 1.215 -7.590 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.154 -2.425 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.984 -1.182 -7.067 1.00 0.00 H new