USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 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= 0.0893 F(o=-3.4,f=-1.3) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.43 F(o=-3.1!,f=-1.3) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 145 GLN : amide:sc= -8.72! C(o=-8.7!,f=-8.7!) USER MOD Single : A 147 ASN : amide:sc= 0.441 K(o=0.44,f=-0.72) USER MOD Single : A 149 TYR OH : rot -102:sc= 0.0289 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.72! C(o=-8.7!,f=-8.6!) USER MOD Single : A 153 LYS NZ :NH3+ 158:sc= -0.0391 (180deg=-0.349) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.07) USER MOD Single : A 161 LYS NZ :NH3+ -148:sc= -0.323 (180deg=-1.45!) 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+ -162:sc= -0.0469 (180deg=-0.479) USER MOD Single : A 165 SER OG : rot -30:sc= -0.352 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -154:sc= -0.806 (180deg=-1.42) USER MOD Single : A 171 MET CE :methyl 163:sc= -0.929 (180deg=-1.43!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc= -0.0101 (180deg=-0.0835) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 197 ASN : amide:sc= -0.0775 K(o=-0.078,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 134 17.357 -1.473 3.171 1.00 0.00 N ATOM 19 CA ALA A 134 16.498 -2.414 2.461 1.00 0.00 C ATOM 20 C ALA A 134 15.069 -1.887 2.390 1.00 0.00 C ATOM 21 O ALA A 134 14.748 -0.854 2.977 1.00 0.00 O ATOM 22 CB ALA A 134 16.511 -3.769 3.170 1.00 0.00 C ATOM 0 HA ALA A 134 16.879 -2.532 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.867 -4.466 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.529 -4.158 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.146 -3.649 4.190 1.00 0.00 H new ATOM 28 N CYS A 135 14.214 -2.604 1.667 1.00 0.00 N ATOM 29 CA CYS A 135 12.821 -2.198 1.527 1.00 0.00 C ATOM 30 C CYS A 135 12.128 -2.191 2.885 1.00 0.00 C ATOM 31 O CYS A 135 12.530 -2.909 3.801 1.00 0.00 O ATOM 32 CB CYS A 135 12.097 -3.148 0.569 1.00 0.00 C ATOM 33 SG CYS A 135 12.707 -2.870 -1.116 1.00 0.00 S ATOM 0 H CYS A 135 14.459 -3.462 1.173 1.00 0.00 H new ATOM 0 HA CYS A 135 12.789 -1.188 1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.268 -4.183 0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 135 11.021 -2.978 0.612 1.00 0.00 H new ATOM 38 N GLN A 136 11.088 -1.366 3.012 1.00 0.00 N ATOM 39 CA GLN A 136 10.337 -1.256 4.267 1.00 0.00 C ATOM 40 C GLN A 136 8.873 -1.600 4.038 1.00 0.00 C ATOM 41 O GLN A 136 8.372 -1.497 2.921 1.00 0.00 O ATOM 42 CB GLN A 136 10.446 0.171 4.812 1.00 0.00 C ATOM 43 CG GLN A 136 11.895 0.453 5.215 1.00 0.00 C ATOM 44 CD GLN A 136 12.030 1.890 5.707 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.317 2.304 6.621 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.906 2.680 5.152 1.00 0.00 N ATOM 0 H GLN A 136 10.745 -0.764 2.263 1.00 0.00 H new ATOM 0 HA GLN A 136 10.758 -1.956 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.122 0.886 4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.787 0.295 5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.204 -0.239 5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.556 0.288 4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.496 2.335 4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.001 3.643 5.475 1.00 0.00 H new ATOM 55 N PHE A 137 8.189 -2.020 5.104 1.00 0.00 N ATOM 56 CA PHE A 137 6.774 -2.390 5.011 1.00 0.00 C ATOM 57 C PHE A 137 5.903 -1.377 5.753 1.00 0.00 C ATOM 58 O PHE A 137 6.241 -0.935 6.852 1.00 0.00 O ATOM 59 CB PHE A 137 6.573 -3.792 5.604 1.00 0.00 C ATOM 60 CG PHE A 137 5.093 -4.099 5.731 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.264 -4.033 4.602 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.549 -4.446 6.976 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.901 -4.314 4.716 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.182 -4.727 7.089 1.00 0.00 C ATOM 65 CZ PHE A 137 2.358 -4.662 5.961 1.00 0.00 C ATOM 0 H PHE A 137 8.589 -2.112 6.038 1.00 0.00 H new ATOM 0 HA PHE A 137 6.477 -2.393 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.053 -4.536 4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.050 -3.853 6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.681 -3.764 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.184 -4.497 7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.265 -4.263 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.764 -4.994 8.048 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.304 -4.880 6.049 1.00 0.00 H new ATOM 75 N SER A 138 4.776 -1.019 5.140 1.00 0.00 N ATOM 76 CA SER A 138 3.847 -0.061 5.738 1.00 0.00 C ATOM 77 C SER A 138 2.413 -0.382 5.320 1.00 0.00 C ATOM 78 O SER A 138 2.147 -0.677 4.156 1.00 0.00 O ATOM 79 CB SER A 138 4.205 1.355 5.293 1.00 0.00 C ATOM 80 OG SER A 138 3.577 2.294 6.158 1.00 0.00 O ATOM 0 H SER A 138 4.484 -1.377 4.231 1.00 0.00 H new ATOM 0 HA SER A 138 3.924 -0.130 6.823 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.286 1.492 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.882 1.518 4.265 1.00 0.00 H new ATOM 0 HG SER A 138 3.807 3.204 5.875 1.00 0.00 H new ATOM 86 N HIS A 139 1.491 -0.328 6.285 1.00 0.00 N ATOM 87 CA HIS A 139 0.078 -0.620 6.017 1.00 0.00 C ATOM 88 C HIS A 139 -0.825 0.439 6.645 1.00 0.00 C ATOM 89 O HIS A 139 -0.415 1.167 7.550 1.00 0.00 O ATOM 90 CB HIS A 139 -0.292 -1.995 6.575 1.00 0.00 C ATOM 91 CG HIS A 139 -0.220 -1.969 8.076 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.145 -1.625 9.029 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.924 -2.332 8.771 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.587 -1.770 10.296 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.660 -2.198 10.084 1.00 0.00 N flip ATOM 0 H HIS A 139 1.695 -0.086 7.255 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.068 -0.613 4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.297 -2.270 6.254 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.386 -2.752 6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.857 -2.662 8.338 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.061 -1.578 11.247 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.330 -2.399 10.826 1.00 0.00 H new ATOM 104 N VAL A 140 -2.060 0.517 6.150 1.00 0.00 N ATOM 105 CA VAL A 140 -3.040 1.487 6.650 1.00 0.00 C ATOM 106 C VAL A 140 -4.398 0.808 6.826 1.00 0.00 C ATOM 107 O VAL A 140 -5.005 0.368 5.853 1.00 0.00 O ATOM 108 CB VAL A 140 -3.151 2.650 5.653 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.352 3.535 5.995 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.876 3.494 5.718 1.00 0.00 C ATOM 0 H VAL A 140 -2.408 -0.081 5.401 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.717 1.872 7.617 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.283 2.242 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.416 4.354 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.265 2.942 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.231 3.940 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.951 4.321 5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.752 3.888 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -1.016 2.875 5.462 1.00 0.00 H new ATOM 120 N ASN A 141 -4.869 0.717 8.073 1.00 0.00 N ATOM 121 CA ASN A 141 -6.157 0.074 8.349 1.00 0.00 C ATOM 122 C ASN A 141 -6.837 0.686 9.578 1.00 0.00 C ATOM 123 O ASN A 141 -6.257 0.728 10.662 1.00 0.00 O ATOM 124 CB ASN A 141 -5.942 -1.428 8.580 1.00 0.00 C ATOM 125 CG ASN A 141 -5.286 -1.675 9.937 1.00 0.00 C ATOM 126 OD1 ASN A 141 -6.017 -1.650 11.017 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.079 -1.899 10.014 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.386 1.075 8.897 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.805 0.232 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.898 -1.949 8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.316 -1.837 7.787 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.509 -1.918 9.168 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.648 -2.066 10.923 1.00 0.00 H new ATOM 134 N SER A 142 -8.083 1.137 9.406 1.00 0.00 N ATOM 135 CA SER A 142 -8.853 1.717 10.511 1.00 0.00 C ATOM 136 C SER A 142 -10.304 1.249 10.438 1.00 0.00 C ATOM 137 O SER A 142 -10.675 0.483 9.547 1.00 0.00 O ATOM 138 CB SER A 142 -8.795 3.249 10.474 1.00 0.00 C ATOM 139 OG SER A 142 -9.067 3.756 11.775 1.00 0.00 O ATOM 0 H SER A 142 -8.579 1.112 8.515 1.00 0.00 H new ATOM 0 HA SER A 142 -8.412 1.380 11.449 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.812 3.580 10.139 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.522 3.636 9.760 1.00 0.00 H new ATOM 0 HG SER A 142 -9.030 4.735 11.759 1.00 0.00 H new ATOM 145 N ARG A 143 -11.119 1.704 11.381 1.00 0.00 N ATOM 146 CA ARG A 143 -12.526 1.317 11.415 1.00 0.00 C ATOM 147 C ARG A 143 -13.322 2.012 10.310 1.00 0.00 C ATOM 148 O ARG A 143 -14.218 1.414 9.715 1.00 0.00 O ATOM 149 CB ARG A 143 -13.128 1.673 12.780 1.00 0.00 C ATOM 150 CG ARG A 143 -14.495 0.976 12.958 1.00 0.00 C ATOM 151 CD ARG A 143 -14.304 -0.430 13.546 1.00 0.00 C ATOM 152 NE ARG A 143 -14.187 -0.355 14.998 1.00 0.00 N ATOM 153 CZ ARG A 143 -14.058 -1.455 15.733 1.00 0.00 C ATOM 154 NH1 ARG A 143 -14.037 -2.626 15.157 1.00 0.00 N ATOM 155 NH2 ARG A 143 -13.956 -1.364 17.031 1.00 0.00 N ATOM 0 H ARG A 143 -10.834 2.337 12.128 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.583 0.241 11.252 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.449 1.367 13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.249 2.753 12.862 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -15.130 1.569 13.616 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -15.005 0.909 11.997 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -15.148 -1.064 13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -13.410 -0.890 13.125 1.00 0.00 H new ATOM 0 HE ARG A 143 -14.204 0.556 15.457 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -14.120 -2.697 14.143 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -13.938 -3.470 15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -13.975 -0.449 17.481 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -13.857 -2.208 17.595 1.00 0.00 H new ATOM 169 N ASP A 144 -13.005 3.281 10.054 1.00 0.00 N ATOM 170 CA ASP A 144 -13.715 4.054 9.031 1.00 0.00 C ATOM 171 C ASP A 144 -13.008 3.983 7.679 1.00 0.00 C ATOM 172 O ASP A 144 -13.630 4.185 6.636 1.00 0.00 O ATOM 173 CB ASP A 144 -13.815 5.515 9.470 1.00 0.00 C ATOM 174 CG ASP A 144 -14.673 6.299 8.483 1.00 0.00 C ATOM 175 OD1 ASP A 144 -14.119 6.820 7.530 1.00 0.00 O ATOM 176 OD2 ASP A 144 -15.872 6.367 8.697 1.00 0.00 O ATOM 0 H ASP A 144 -12.267 3.794 10.536 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.710 3.623 8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.248 5.574 10.468 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.819 5.955 9.528 1.00 0.00 H new ATOM 181 N GLN A 145 -11.710 3.705 7.700 1.00 0.00 N ATOM 182 CA GLN A 145 -10.937 3.625 6.462 1.00 0.00 C ATOM 183 C GLN A 145 -11.508 2.551 5.530 1.00 0.00 C ATOM 184 O GLN A 145 -10.954 1.462 5.415 1.00 0.00 O ATOM 185 CB GLN A 145 -9.468 3.312 6.800 1.00 0.00 C ATOM 186 CG GLN A 145 -8.697 4.611 7.082 1.00 0.00 C ATOM 187 CD GLN A 145 -7.217 4.310 7.279 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.361 5.033 6.769 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.867 3.282 7.994 1.00 0.00 N ATOM 0 H GLN A 145 -11.173 3.532 8.550 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.996 4.583 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.420 2.656 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -9.003 2.778 5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.827 5.307 6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -9.099 5.096 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.580 2.686 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.879 3.071 8.135 1.00 0.00 H new ATOM 198 N CYS A 146 -12.618 2.881 4.864 1.00 0.00 N ATOM 199 CA CYS A 146 -13.282 1.959 3.933 1.00 0.00 C ATOM 200 C CYS A 146 -13.301 2.563 2.521 1.00 0.00 C ATOM 201 O CYS A 146 -14.082 3.471 2.239 1.00 0.00 O ATOM 202 CB CYS A 146 -14.716 1.707 4.428 1.00 0.00 C ATOM 203 SG CYS A 146 -15.555 0.504 3.368 1.00 0.00 S ATOM 0 H CYS A 146 -13.080 3.786 4.952 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.739 1.015 3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.693 1.341 5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.273 2.644 4.436 1.00 0.00 H new ATOM 208 N ASN A 147 -12.417 2.065 1.645 1.00 0.00 N ATOM 209 CA ASN A 147 -12.315 2.574 0.265 1.00 0.00 C ATOM 210 C ASN A 147 -12.206 1.431 -0.750 1.00 0.00 C ATOM 211 O ASN A 147 -11.958 0.282 -0.382 1.00 0.00 O ATOM 212 CB ASN A 147 -11.085 3.477 0.140 1.00 0.00 C ATOM 213 CG ASN A 147 -10.994 4.405 1.346 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.460 5.544 1.291 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.420 3.983 2.440 1.00 0.00 N ATOM 0 H ASN A 147 -11.763 1.313 1.864 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.222 3.139 0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.183 2.869 0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.146 4.064 -0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.357 4.597 3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -10.035 3.039 2.483 1.00 0.00 H new ATOM 222 N ASP A 148 -12.399 1.759 -2.032 1.00 0.00 N ATOM 223 CA ASP A 148 -12.332 0.760 -3.104 1.00 0.00 C ATOM 224 C ASP A 148 -10.890 0.372 -3.426 1.00 0.00 C ATOM 225 O ASP A 148 -9.948 1.098 -3.108 1.00 0.00 O ATOM 226 CB ASP A 148 -13.019 1.294 -4.364 1.00 0.00 C ATOM 227 CG ASP A 148 -12.558 2.716 -4.658 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.190 3.635 -4.164 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.582 2.863 -5.375 1.00 0.00 O ATOM 0 H ASP A 148 -12.602 2.706 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.850 -0.133 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.791 0.648 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.101 1.276 -4.232 1.00 0.00 H new ATOM 234 N TYR A 149 -10.740 -0.789 -4.062 1.00 0.00 N ATOM 235 CA TYR A 149 -9.423 -1.298 -4.434 1.00 0.00 C ATOM 236 C TYR A 149 -8.589 -0.213 -5.106 1.00 0.00 C ATOM 237 O TYR A 149 -7.505 0.132 -4.637 1.00 0.00 O ATOM 238 CB TYR A 149 -9.587 -2.480 -5.396 1.00 0.00 C ATOM 239 CG TYR A 149 -8.255 -3.162 -5.618 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.848 -4.196 -4.765 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.435 -2.767 -6.682 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.617 -4.833 -4.976 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.207 -3.404 -6.891 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.799 -4.437 -6.039 1.00 0.00 C ATOM 245 OH TYR A 149 -4.587 -5.065 -6.247 1.00 0.00 O ATOM 0 H TYR A 149 -11.516 -1.395 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.909 -1.620 -3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.305 -3.192 -4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -9.988 -2.131 -6.348 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.482 -4.502 -3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.750 -1.971 -7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.301 -5.629 -4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.573 -3.098 -7.710 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.862 -4.495 -5.916 1.00 0.00 H new ATOM 255 N GLN A 150 -9.101 0.318 -6.212 1.00 0.00 N ATOM 256 CA GLN A 150 -8.394 1.361 -6.947 1.00 0.00 C ATOM 257 C GLN A 150 -8.046 2.527 -6.029 1.00 0.00 C ATOM 258 O GLN A 150 -6.905 2.990 -6.004 1.00 0.00 O ATOM 259 CB GLN A 150 -9.255 1.860 -8.108 1.00 0.00 C ATOM 260 CG GLN A 150 -8.539 3.010 -8.827 1.00 0.00 C ATOM 261 CD GLN A 150 -9.097 3.179 -10.231 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.948 4.036 -10.468 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.663 2.402 -11.182 1.00 0.00 N ATOM 0 H GLN A 150 -9.997 0.046 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.469 0.936 -7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.448 1.046 -8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.223 2.197 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.665 3.935 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.469 2.809 -8.875 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.958 1.694 -10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.028 2.502 -12.129 1.00 0.00 H new ATOM 272 N HIS A 151 -9.033 2.999 -5.273 1.00 0.00 N ATOM 273 CA HIS A 151 -8.809 4.110 -4.359 1.00 0.00 C ATOM 274 C HIS A 151 -7.603 3.826 -3.473 1.00 0.00 C ATOM 275 O HIS A 151 -6.721 4.670 -3.321 1.00 0.00 O ATOM 276 CB HIS A 151 -10.055 4.337 -3.484 1.00 0.00 C ATOM 277 CG HIS A 151 -11.070 5.161 -4.236 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.124 5.795 -3.599 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.201 5.463 -5.569 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.839 6.439 -4.540 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.318 6.269 -5.759 1.00 0.00 N ATOM 0 H HIS A 151 -9.985 2.633 -5.276 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.617 5.009 -4.945 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.490 3.379 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.774 4.845 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.537 5.126 -6.351 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.725 7.022 -4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.665 6.649 -6.640 1.00 0.00 H new ATOM 290 N TRP A 152 -7.570 2.634 -2.884 1.00 0.00 N ATOM 291 CA TRP A 152 -6.461 2.275 -2.013 1.00 0.00 C ATOM 292 C TRP A 152 -5.142 2.320 -2.785 1.00 0.00 C ATOM 293 O TRP A 152 -4.156 2.878 -2.313 1.00 0.00 O ATOM 294 CB TRP A 152 -6.670 0.866 -1.414 1.00 0.00 C ATOM 295 CG TRP A 152 -7.468 0.926 -0.145 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.560 0.168 0.106 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.251 1.745 1.052 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.037 0.471 1.367 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.271 1.438 1.986 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.292 2.718 1.420 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.336 2.068 3.227 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.359 3.347 2.668 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.378 3.028 3.567 1.00 0.00 C ATOM 0 H TRP A 152 -8.285 1.914 -2.992 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.421 2.998 -1.199 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.182 0.233 -2.139 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.702 0.405 -1.216 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -8.989 -0.557 -0.570 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.856 0.033 1.789 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.501 2.977 0.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.123 1.816 3.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.617 4.084 2.938 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.426 3.523 4.526 1.00 0.00 H new ATOM 314 N LYS A 153 -5.134 1.722 -3.969 1.00 0.00 N ATOM 315 CA LYS A 153 -3.931 1.692 -4.797 1.00 0.00 C ATOM 316 C LYS A 153 -3.310 3.082 -4.895 1.00 0.00 C ATOM 317 O LYS A 153 -2.089 3.228 -4.854 1.00 0.00 O ATOM 318 CB LYS A 153 -4.298 1.163 -6.197 1.00 0.00 C ATOM 319 CG LYS A 153 -3.083 0.487 -6.877 1.00 0.00 C ATOM 320 CD LYS A 153 -3.549 -0.499 -7.961 1.00 0.00 C ATOM 321 CE LYS A 153 -4.016 0.266 -9.201 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.835 0.851 -9.897 1.00 0.00 N ATOM 0 H LYS A 153 -5.942 1.253 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.195 1.030 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.117 0.448 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.654 1.985 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.439 1.246 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.488 -0.039 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.734 -1.173 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.361 -1.116 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.553 -0.403 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.711 1.056 -8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.075 1.038 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.565 1.742 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.040 0.182 -9.853 1.00 0.00 H new ATOM 336 N ASP A 154 -4.152 4.097 -5.017 1.00 0.00 N ATOM 337 CA ASP A 154 -3.661 5.464 -5.112 1.00 0.00 C ATOM 338 C ASP A 154 -3.204 5.967 -3.746 1.00 0.00 C ATOM 339 O ASP A 154 -2.109 6.510 -3.614 1.00 0.00 O ATOM 340 CB ASP A 154 -4.761 6.379 -5.653 1.00 0.00 C ATOM 341 CG ASP A 154 -5.069 6.022 -7.104 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.131 5.761 -7.840 1.00 0.00 O ATOM 343 OD2 ASP A 154 -6.235 6.017 -7.457 1.00 0.00 O ATOM 0 H ASP A 154 -5.167 4.003 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.811 5.477 -5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.661 6.278 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.446 7.420 -5.585 1.00 0.00 H new ATOM 348 N GLU A 155 -4.047 5.783 -2.734 1.00 0.00 N ATOM 349 CA GLU A 155 -3.720 6.230 -1.382 1.00 0.00 C ATOM 350 C GLU A 155 -2.413 5.603 -0.895 1.00 0.00 C ATOM 351 O GLU A 155 -1.511 6.310 -0.447 1.00 0.00 O ATOM 352 CB GLU A 155 -4.871 5.884 -0.426 1.00 0.00 C ATOM 353 CG GLU A 155 -4.444 6.113 1.039 1.00 0.00 C ATOM 354 CD GLU A 155 -5.657 6.471 1.899 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.721 5.933 1.639 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.501 7.276 2.801 1.00 0.00 O ATOM 0 H GLU A 155 -4.957 5.330 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.584 7.311 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.741 6.498 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.168 4.845 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.966 5.215 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.706 6.914 1.088 1.00 0.00 H new ATOM 363 N ALA A 156 -2.308 4.280 -0.990 1.00 0.00 N ATOM 364 CA ALA A 156 -1.093 3.598 -0.556 1.00 0.00 C ATOM 365 C ALA A 156 0.108 4.201 -1.272 1.00 0.00 C ATOM 366 O ALA A 156 1.204 4.278 -0.716 1.00 0.00 O ATOM 367 CB ALA A 156 -1.182 2.097 -0.862 1.00 0.00 C ATOM 0 H ALA A 156 -3.036 3.668 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.980 3.726 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.268 1.604 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.036 1.669 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.306 1.951 -1.935 1.00 0.00 H new ATOM 373 N GLY A 157 -0.115 4.639 -2.506 1.00 0.00 N ATOM 374 CA GLY A 157 0.947 5.250 -3.292 1.00 0.00 C ATOM 375 C GLY A 157 1.399 6.564 -2.658 1.00 0.00 C ATOM 376 O GLY A 157 2.594 6.798 -2.479 1.00 0.00 O ATOM 0 H GLY A 157 -1.016 4.582 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.792 4.566 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.596 5.432 -4.308 1.00 0.00 H new ATOM 380 N LYS A 158 0.434 7.419 -2.320 1.00 0.00 N ATOM 381 CA LYS A 158 0.749 8.704 -1.707 1.00 0.00 C ATOM 382 C LYS A 158 1.372 8.512 -0.330 1.00 0.00 C ATOM 383 O LYS A 158 2.275 9.253 0.059 1.00 0.00 O ATOM 384 CB LYS A 158 -0.518 9.559 -1.570 1.00 0.00 C ATOM 385 CG LYS A 158 -1.298 9.570 -2.897 1.00 0.00 C ATOM 386 CD LYS A 158 -2.134 10.851 -3.003 1.00 0.00 C ATOM 387 CE LYS A 158 -3.158 10.888 -1.867 1.00 0.00 C ATOM 388 NZ LYS A 158 -4.150 11.969 -2.127 1.00 0.00 N ATOM 0 H LYS A 158 -0.561 7.246 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 158 1.464 9.213 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.148 9.164 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.250 10.577 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.605 9.508 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.947 8.696 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.486 11.726 -2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.642 10.887 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.665 9.926 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.655 11.062 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.846 11.994 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.660 12.885 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.638 11.784 -3.027 1.00 0.00 H new ATOM 402 N GLN A 159 0.881 7.523 0.411 1.00 0.00 N ATOM 403 CA GLN A 159 1.399 7.262 1.753 1.00 0.00 C ATOM 404 C GLN A 159 2.902 6.980 1.701 1.00 0.00 C ATOM 405 O GLN A 159 3.659 7.439 2.553 1.00 0.00 O ATOM 406 CB GLN A 159 0.653 6.069 2.391 1.00 0.00 C ATOM 407 CG GLN A 159 0.501 6.290 3.905 1.00 0.00 C ATOM 408 CD GLN A 159 -0.630 7.275 4.181 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.396 8.358 4.716 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.851 6.961 3.843 1.00 0.00 N ATOM 0 H GLN A 159 0.135 6.896 0.111 1.00 0.00 H new ATOM 0 HA GLN A 159 1.234 8.148 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.329 5.956 1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.200 5.145 2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.296 5.341 4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.434 6.671 4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -2.042 6.063 3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.614 7.614 4.022 1.00 0.00 H new ATOM 419 N CYS A 160 3.323 6.216 0.703 1.00 0.00 N ATOM 420 CA CYS A 160 4.733 5.879 0.558 1.00 0.00 C ATOM 421 C CYS A 160 5.522 7.056 -0.006 1.00 0.00 C ATOM 422 O CYS A 160 6.646 7.325 0.417 1.00 0.00 O ATOM 423 CB CYS A 160 4.877 4.677 -0.372 1.00 0.00 C ATOM 424 SG CYS A 160 6.535 3.977 -0.204 1.00 0.00 S ATOM 0 H CYS A 160 2.714 5.820 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 160 5.132 5.637 1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.127 3.924 -0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.702 4.980 -1.404 1.00 0.00 H new ATOM 429 N LYS A 161 4.929 7.744 -0.974 1.00 0.00 N ATOM 430 CA LYS A 161 5.588 8.884 -1.604 1.00 0.00 C ATOM 431 C LYS A 161 5.842 9.999 -0.595 1.00 0.00 C ATOM 432 O LYS A 161 6.962 10.495 -0.478 1.00 0.00 O ATOM 433 CB LYS A 161 4.723 9.419 -2.751 1.00 0.00 C ATOM 434 CG LYS A 161 4.638 8.379 -3.887 1.00 0.00 C ATOM 435 CD LYS A 161 5.824 8.540 -4.859 1.00 0.00 C ATOM 436 CE LYS A 161 5.501 9.600 -5.919 1.00 0.00 C ATOM 437 NZ LYS A 161 4.274 9.200 -6.666 1.00 0.00 N ATOM 0 H LYS A 161 4.000 7.535 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 161 6.548 8.546 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.723 9.650 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.146 10.349 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.639 7.373 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.699 8.498 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.719 8.828 -4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.040 7.587 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 161 5.351 10.570 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 161 6.339 9.708 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 4.338 9.540 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 4.189 8.163 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 3.438 9.617 -6.209 1.00 0.00 H new ATOM 451 N THR A 162 4.800 10.395 0.129 1.00 0.00 N ATOM 452 CA THR A 162 4.940 11.460 1.117 1.00 0.00 C ATOM 453 C THR A 162 5.953 11.064 2.187 1.00 0.00 C ATOM 454 O THR A 162 6.638 11.916 2.753 1.00 0.00 O ATOM 455 CB THR A 162 3.585 11.775 1.763 1.00 0.00 C ATOM 456 OG1 THR A 162 3.695 12.966 2.530 1.00 0.00 O ATOM 457 CG2 THR A 162 3.160 10.622 2.670 1.00 0.00 C ATOM 0 H THR A 162 3.862 10.002 0.053 1.00 0.00 H new ATOM 0 HA THR A 162 5.300 12.355 0.609 1.00 0.00 H new ATOM 0 HB THR A 162 2.837 11.909 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.830 13.170 2.943 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.197 10.853 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.073 9.709 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.906 10.480 3.452 1.00 0.00 H new ATOM 465 N LYS A 163 6.048 9.764 2.453 1.00 0.00 N ATOM 466 CA LYS A 163 6.991 9.268 3.450 1.00 0.00 C ATOM 467 C LYS A 163 8.403 9.261 2.871 1.00 0.00 C ATOM 468 O LYS A 163 8.585 9.315 1.655 1.00 0.00 O ATOM 469 CB LYS A 163 6.594 7.848 3.884 1.00 0.00 C ATOM 470 CG LYS A 163 5.419 7.883 4.892 1.00 0.00 C ATOM 471 CD LYS A 163 5.782 8.554 6.240 1.00 0.00 C ATOM 472 CE LYS A 163 7.168 8.123 6.727 1.00 0.00 C ATOM 473 NZ LYS A 163 7.310 8.462 8.171 1.00 0.00 N ATOM 0 H LYS A 163 5.490 9.042 1.997 1.00 0.00 H new ATOM 0 HA LYS A 163 6.968 9.924 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.310 7.263 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.451 7.349 4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.581 8.417 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 163 5.083 6.864 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.756 9.638 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 163 5.035 8.294 6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 163 7.301 7.051 6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 163 7.942 8.624 6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 8.251 8.170 8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 7.200 9.488 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.579 7.964 8.718 1.00 0.00 H new ATOM 487 N LYS A 164 9.404 9.200 3.750 1.00 0.00 N ATOM 488 CA LYS A 164 10.804 9.193 3.321 1.00 0.00 C ATOM 489 C LYS A 164 11.597 8.144 4.094 1.00 0.00 C ATOM 490 O LYS A 164 11.188 7.710 5.171 1.00 0.00 O ATOM 491 CB LYS A 164 11.432 10.575 3.552 1.00 0.00 C ATOM 492 CG LYS A 164 11.146 11.065 4.993 1.00 0.00 C ATOM 493 CD LYS A 164 9.870 11.920 5.030 1.00 0.00 C ATOM 494 CE LYS A 164 9.691 12.500 6.436 1.00 0.00 C ATOM 495 NZ LYS A 164 9.539 11.388 7.416 1.00 0.00 N ATOM 0 H LYS A 164 9.273 9.155 4.760 1.00 0.00 H new ATOM 0 HA LYS A 164 10.834 8.950 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.508 10.525 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 164 11.031 11.289 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 164 11.036 10.209 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.991 11.647 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.936 12.725 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 164 9.005 11.314 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 164 10.551 13.116 6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.814 13.147 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 9.121 11.755 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.918 10.656 7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 10.472 10.976 7.621 1.00 0.00 H new ATOM 509 N SER A 165 12.734 7.742 3.535 1.00 0.00 N ATOM 510 CA SER A 165 13.581 6.745 4.178 1.00 0.00 C ATOM 511 C SER A 165 14.268 7.337 5.404 1.00 0.00 C ATOM 512 O SER A 165 14.152 8.532 5.674 1.00 0.00 O ATOM 513 CB SER A 165 14.636 6.244 3.192 1.00 0.00 C ATOM 514 OG SER A 165 14.007 5.456 2.191 1.00 0.00 O ATOM 0 H SER A 165 13.088 8.089 2.644 1.00 0.00 H new ATOM 0 HA SER A 165 12.954 5.911 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 165 15.153 7.088 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.389 5.654 3.715 1.00 0.00 H new ATOM 0 HG SER A 165 13.215 5.019 2.568 1.00 0.00 H new ATOM 520 N LYS A 166 14.982 6.494 6.142 1.00 0.00 N ATOM 521 CA LYS A 166 15.683 6.950 7.338 1.00 0.00 C ATOM 522 C LYS A 166 16.629 8.096 6.995 1.00 0.00 C ATOM 523 O LYS A 166 16.867 8.983 7.815 1.00 0.00 O ATOM 524 CB LYS A 166 16.480 5.793 7.949 1.00 0.00 C ATOM 525 CG LYS A 166 15.532 4.636 8.319 1.00 0.00 C ATOM 526 CD LYS A 166 14.894 4.889 9.692 1.00 0.00 C ATOM 527 CE LYS A 166 14.080 3.662 10.105 1.00 0.00 C ATOM 528 NZ LYS A 166 13.439 3.913 11.427 1.00 0.00 N ATOM 0 H LYS A 166 15.091 5.501 5.937 1.00 0.00 H new ATOM 0 HA LYS A 166 14.946 7.303 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.232 5.445 7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.012 6.136 8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 166 14.754 4.538 7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 166 16.083 3.696 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.667 5.093 10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 166 14.252 5.769 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.319 3.448 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 166 14.726 2.786 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 12.885 3.079 11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.174 4.097 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 12.810 4.738 11.357 1.00 0.00 H new ATOM 542 N GLY A 167 17.167 8.071 5.778 1.00 0.00 N ATOM 543 CA GLY A 167 18.088 9.113 5.329 1.00 0.00 C ATOM 544 C GLY A 167 17.334 10.246 4.642 1.00 0.00 C ATOM 545 O GLY A 167 17.881 10.937 3.782 1.00 0.00 O ATOM 0 H GLY A 167 16.982 7.344 5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.644 9.505 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.818 8.687 4.641 1.00 0.00 H new ATOM 549 N ASN A 168 16.075 10.429 5.026 1.00 0.00 N ATOM 550 CA ASN A 168 15.253 11.482 4.439 1.00 0.00 C ATOM 551 C ASN A 168 15.286 11.399 2.915 1.00 0.00 C ATOM 552 O ASN A 168 15.433 12.413 2.232 1.00 0.00 O ATOM 553 CB ASN A 168 15.760 12.853 4.888 1.00 0.00 C ATOM 554 CG ASN A 168 15.779 12.927 6.412 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.770 13.358 7.001 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.736 12.530 7.087 1.00 0.00 N ATOM 0 H ASN A 168 15.604 9.867 5.735 1.00 0.00 H new ATOM 0 HA ASN A 168 14.226 11.347 4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.762 13.027 4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 168 15.119 13.637 4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.740 12.576 8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.916 12.173 6.596 1.00 0.00 H new ATOM 563 N LYS A 169 15.152 10.182 2.389 1.00 0.00 N ATOM 564 CA LYS A 169 15.169 9.960 0.940 1.00 0.00 C ATOM 565 C LYS A 169 13.755 9.633 0.445 1.00 0.00 C ATOM 566 O LYS A 169 12.782 9.787 1.179 1.00 0.00 O ATOM 567 CB LYS A 169 16.142 8.799 0.614 1.00 0.00 C ATOM 568 CG LYS A 169 16.993 9.135 -0.623 1.00 0.00 C ATOM 569 CD LYS A 169 17.631 7.855 -1.173 1.00 0.00 C ATOM 570 CE LYS A 169 18.451 7.180 -0.072 1.00 0.00 C ATOM 571 NZ LYS A 169 19.253 8.206 0.652 1.00 0.00 N ATOM 0 H LYS A 169 15.030 9.334 2.943 1.00 0.00 H new ATOM 0 HA LYS A 169 15.509 10.863 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.792 8.611 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.578 7.884 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.372 9.601 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.768 9.855 -0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 169 16.858 7.176 -1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 169 18.270 8.091 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 169 17.790 6.663 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 169 19.110 6.427 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 20.097 7.759 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 19.546 8.950 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 18.677 8.625 1.410 1.00 0.00 H new ATOM 585 N ASP A 170 13.655 9.180 -0.805 1.00 0.00 N ATOM 586 CA ASP A 170 12.359 8.832 -1.394 1.00 0.00 C ATOM 587 C ASP A 170 12.197 7.317 -1.465 1.00 0.00 C ATOM 588 O ASP A 170 13.182 6.579 -1.451 1.00 0.00 O ATOM 589 CB ASP A 170 12.256 9.419 -2.803 1.00 0.00 C ATOM 590 CG ASP A 170 10.879 9.124 -3.391 1.00 0.00 C ATOM 591 OD1 ASP A 170 9.952 9.848 -3.070 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.775 8.177 -4.154 1.00 0.00 O ATOM 0 H ASP A 170 14.451 9.045 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 170 11.570 9.245 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.424 10.496 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.032 8.994 -3.441 1.00 0.00 H new ATOM 597 N MET A 171 10.949 6.859 -1.541 1.00 0.00 N ATOM 598 CA MET A 171 10.665 5.427 -1.614 1.00 0.00 C ATOM 599 C MET A 171 9.405 5.172 -2.437 1.00 0.00 C ATOM 600 O MET A 171 8.381 5.827 -2.244 1.00 0.00 O ATOM 601 CB MET A 171 10.469 4.856 -0.207 1.00 0.00 C ATOM 602 CG MET A 171 11.711 5.133 0.642 1.00 0.00 C ATOM 603 SD MET A 171 11.657 4.123 2.147 1.00 0.00 S ATOM 604 CE MET A 171 11.867 2.498 1.371 1.00 0.00 C ATOM 0 H MET A 171 10.122 7.455 -1.554 1.00 0.00 H new ATOM 0 HA MET A 171 11.512 4.936 -2.093 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.591 5.305 0.259 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.287 3.783 -0.262 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.612 4.906 0.072 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.757 6.190 0.903 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.161 1.769 2.126 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.927 2.188 0.915 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.639 2.558 0.604 1.00 0.00 H new ATOM 614 N ILE A 172 9.486 4.202 -3.346 1.00 0.00 N ATOM 615 CA ILE A 172 8.346 3.849 -4.190 1.00 0.00 C ATOM 616 C ILE A 172 7.528 2.760 -3.513 1.00 0.00 C ATOM 617 O ILE A 172 7.783 2.414 -2.363 1.00 0.00 O ATOM 618 CB ILE A 172 8.831 3.361 -5.563 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.651 2.065 -5.423 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.714 4.436 -6.199 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.958 1.505 -6.814 1.00 0.00 C ATOM 0 H ILE A 172 10.326 3.648 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 172 7.724 4.732 -4.333 1.00 0.00 H new ATOM 0 HB ILE A 172 7.960 3.165 -6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.579 2.265 -4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.096 1.332 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.060 4.093 -7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.139 5.354 -6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.573 4.628 -5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.538 0.588 -6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 172 9.024 1.290 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.530 2.238 -7.383 1.00 0.00 H new ATOM 633 N VAL A 173 6.559 2.203 -4.240 1.00 0.00 N ATOM 634 CA VAL A 173 5.722 1.122 -3.709 1.00 0.00 C ATOM 635 C VAL A 173 6.002 -0.159 -4.487 1.00 0.00 C ATOM 636 O VAL A 173 5.635 -0.288 -5.655 1.00 0.00 O ATOM 637 CB VAL A 173 4.237 1.496 -3.806 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.371 0.271 -3.489 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.922 2.617 -2.801 1.00 0.00 C ATOM 0 H VAL A 173 6.333 2.480 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 173 5.962 0.964 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 173 4.020 1.840 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.318 0.542 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.590 -0.524 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.589 -0.078 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.867 2.882 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.144 2.273 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.532 3.491 -3.029 1.00 0.00 H new ATOM 649 N ARG A 174 6.672 -1.093 -3.826 1.00 0.00 N ATOM 650 CA ARG A 174 7.029 -2.363 -4.445 1.00 0.00 C ATOM 651 C ARG A 174 5.808 -3.284 -4.547 1.00 0.00 C ATOM 652 O ARG A 174 5.454 -3.732 -5.637 1.00 0.00 O ATOM 653 CB ARG A 174 8.164 -3.015 -3.620 1.00 0.00 C ATOM 654 CG ARG A 174 8.116 -4.549 -3.711 1.00 0.00 C ATOM 655 CD ARG A 174 9.468 -5.132 -3.292 1.00 0.00 C ATOM 656 NE ARG A 174 9.405 -6.588 -3.266 1.00 0.00 N ATOM 657 CZ ARG A 174 8.713 -7.229 -2.329 1.00 0.00 C ATOM 658 NH1 ARG A 174 8.074 -6.556 -1.413 1.00 0.00 N ATOM 659 NH2 ARG A 174 8.673 -8.534 -2.327 1.00 0.00 N ATOM 0 H ARG A 174 6.980 -0.995 -2.859 1.00 0.00 H new ATOM 0 HA ARG A 174 7.380 -2.191 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.129 -2.658 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.080 -2.708 -2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.326 -4.937 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.877 -4.855 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.243 -4.807 -3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.745 -4.756 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 174 9.900 -7.124 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 174 8.105 -5.536 -1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 174 7.544 -7.049 -0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.172 -9.061 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 174 8.142 -9.027 -1.609 1.00 0.00 H new ATOM 673 N SER A 175 5.176 -3.567 -3.408 1.00 0.00 N ATOM 674 CA SER A 175 3.999 -4.448 -3.381 1.00 0.00 C ATOM 675 C SER A 175 2.760 -3.683 -2.929 1.00 0.00 C ATOM 676 O SER A 175 2.861 -2.587 -2.381 1.00 0.00 O ATOM 677 CB SER A 175 4.252 -5.618 -2.429 1.00 0.00 C ATOM 678 OG SER A 175 3.336 -6.666 -2.720 1.00 0.00 O ATOM 0 H SER A 175 5.453 -3.204 -2.496 1.00 0.00 H new ATOM 0 HA SER A 175 3.827 -4.824 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.276 -5.974 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.134 -5.293 -1.395 1.00 0.00 H new ATOM 0 HG SER A 175 3.496 -7.418 -2.113 1.00 0.00 H new ATOM 684 N PHE A 176 1.591 -4.274 -3.162 1.00 0.00 N ATOM 685 CA PHE A 176 0.340 -3.639 -2.771 1.00 0.00 C ATOM 686 C PHE A 176 -0.822 -4.632 -2.867 1.00 0.00 C ATOM 687 O PHE A 176 -0.981 -5.332 -3.866 1.00 0.00 O ATOM 688 CB PHE A 176 0.099 -2.400 -3.658 1.00 0.00 C ATOM 689 CG PHE A 176 -1.372 -2.025 -3.686 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.910 -1.240 -2.666 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.193 -2.468 -4.731 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.260 -0.901 -2.679 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.549 -2.123 -4.746 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.084 -1.339 -3.718 1.00 0.00 C ATOM 0 H PHE A 176 1.486 -5.182 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 176 0.404 -3.316 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.684 -1.561 -3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.445 -2.602 -4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.276 -0.894 -1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.780 -3.075 -5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.671 -0.298 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.183 -2.462 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.131 -1.073 -3.728 1.00 0.00 H new ATOM 704 N ALA A 177 -1.626 -4.673 -1.807 1.00 0.00 N ATOM 705 CA ALA A 177 -2.781 -5.570 -1.748 1.00 0.00 C ATOM 706 C ALA A 177 -3.680 -5.163 -0.585 1.00 0.00 C ATOM 707 O ALA A 177 -3.184 -4.788 0.469 1.00 0.00 O ATOM 708 CB ALA A 177 -2.314 -7.013 -1.551 1.00 0.00 C ATOM 0 H ALA A 177 -1.500 -4.095 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.336 -5.500 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.180 -7.673 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.675 -7.306 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.753 -7.090 -0.620 1.00 0.00 H new ATOM 714 N VAL A 178 -4.996 -5.232 -0.775 1.00 0.00 N ATOM 715 CA VAL A 178 -5.915 -4.838 0.291 1.00 0.00 C ATOM 716 C VAL A 178 -5.847 -5.815 1.460 1.00 0.00 C ATOM 717 O VAL A 178 -5.298 -6.911 1.333 1.00 0.00 O ATOM 718 CB VAL A 178 -7.352 -4.738 -0.235 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.452 -3.563 -1.214 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.748 -6.040 -0.944 1.00 0.00 C ATOM 0 H VAL A 178 -5.442 -5.549 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.608 -3.855 0.647 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.030 -4.575 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.472 -3.489 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.186 -2.639 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.769 -3.725 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.770 -5.957 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.073 -6.218 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.682 -6.871 -0.242 1.00 0.00 H new ATOM 730 N LEU A 179 -6.378 -5.396 2.616 1.00 0.00 N ATOM 731 CA LEU A 179 -6.339 -6.225 3.826 1.00 0.00 C ATOM 732 C LEU A 179 -7.732 -6.701 4.242 1.00 0.00 C ATOM 733 O LEU A 179 -8.242 -7.698 3.729 1.00 0.00 O ATOM 734 CB LEU A 179 -5.729 -5.419 4.988 1.00 0.00 C ATOM 735 CG LEU A 179 -4.203 -5.283 4.829 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.640 -4.351 5.943 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.535 -6.686 4.898 1.00 0.00 C ATOM 0 H LEU A 179 -6.837 -4.493 2.738 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.730 -7.100 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.183 -4.429 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -5.957 -5.910 5.934 1.00 0.00 H new ATOM 0 HG LEU A 179 -3.978 -4.842 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.560 -4.257 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.101 -3.367 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.865 -4.776 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.456 -6.581 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.756 -7.147 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -3.925 -7.314 4.097 1.00 0.00 H new ATOM 749 N GLU A 180 -8.314 -5.999 5.211 1.00 0.00 N ATOM 750 CA GLU A 180 -9.622 -6.370 5.742 1.00 0.00 C ATOM 751 C GLU A 180 -10.745 -6.057 4.746 1.00 0.00 C ATOM 752 O GLU A 180 -10.667 -5.072 4.012 1.00 0.00 O ATOM 753 CB GLU A 180 -9.877 -5.617 7.047 1.00 0.00 C ATOM 754 CG GLU A 180 -8.977 -6.177 8.150 1.00 0.00 C ATOM 755 CD GLU A 180 -8.997 -5.249 9.360 1.00 0.00 C ATOM 756 OE1 GLU A 180 -8.188 -4.337 9.395 1.00 0.00 O ATOM 757 OE2 GLU A 180 -9.819 -5.466 10.235 1.00 0.00 O ATOM 0 H GLU A 180 -7.902 -5.172 5.643 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.618 -7.445 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.681 -4.554 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.924 -5.713 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.317 -7.172 8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.957 -6.284 7.780 1.00 0.00 H new ATOM 764 N PRO A 181 -11.792 -6.860 4.712 1.00 0.00 N ATOM 765 CA PRO A 181 -12.945 -6.636 3.791 1.00 0.00 C ATOM 766 C PRO A 181 -13.923 -5.573 4.309 1.00 0.00 C ATOM 767 O PRO A 181 -14.138 -5.432 5.512 1.00 0.00 O ATOM 768 CB PRO A 181 -13.618 -8.009 3.754 1.00 0.00 C ATOM 769 CG PRO A 181 -13.397 -8.552 5.124 1.00 0.00 C ATOM 770 CD PRO A 181 -12.000 -8.075 5.533 1.00 0.00 C ATOM 0 HA PRO A 181 -12.626 -6.264 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.680 -7.927 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.175 -8.651 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.155 -8.187 5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.457 -9.640 5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -11.949 -7.852 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.242 -8.831 5.329 1.00 0.00 H new ATOM 778 N CYS A 182 -14.512 -4.847 3.368 1.00 0.00 N ATOM 779 CA CYS A 182 -15.490 -3.792 3.659 1.00 0.00 C ATOM 780 C CYS A 182 -16.674 -3.964 2.709 1.00 0.00 C ATOM 781 O CYS A 182 -16.779 -4.993 2.042 1.00 0.00 O ATOM 782 CB CYS A 182 -14.854 -2.410 3.488 1.00 0.00 C ATOM 783 SG CYS A 182 -15.700 -1.172 4.497 1.00 0.00 S ATOM 0 H CYS A 182 -14.327 -4.970 2.372 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.830 -3.871 4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.802 -2.454 3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.893 -2.116 2.439 1.00 0.00 H new ATOM 788 N ALA A 183 -17.570 -2.979 2.672 1.00 0.00 N ATOM 789 CA ALA A 183 -18.755 -3.046 1.808 1.00 0.00 C ATOM 790 C ALA A 183 -18.455 -3.762 0.484 1.00 0.00 C ATOM 791 O ALA A 183 -17.298 -3.912 0.093 1.00 0.00 O ATOM 792 CB ALA A 183 -19.257 -1.633 1.512 1.00 0.00 C ATOM 0 H ALA A 183 -17.501 -2.126 3.227 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.518 -3.616 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.137 -1.686 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.519 -1.137 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.474 -1.067 1.008 1.00 0.00 H new ATOM 798 N LEU A 184 -19.528 -4.212 -0.182 1.00 0.00 N ATOM 799 CA LEU A 184 -19.447 -4.948 -1.459 1.00 0.00 C ATOM 800 C LEU A 184 -18.076 -4.832 -2.140 1.00 0.00 C ATOM 801 O LEU A 184 -17.353 -5.820 -2.251 1.00 0.00 O ATOM 802 CB LEU A 184 -20.542 -4.431 -2.405 1.00 0.00 C ATOM 803 CG LEU A 184 -20.954 -5.525 -3.402 1.00 0.00 C ATOM 804 CD1 LEU A 184 -22.041 -4.976 -4.331 1.00 0.00 C ATOM 805 CD2 LEU A 184 -19.741 -5.963 -4.234 1.00 0.00 C ATOM 0 H LEU A 184 -20.483 -4.077 0.149 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.593 -6.004 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.409 -4.113 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.180 -3.556 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.337 -6.386 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -22.337 -5.748 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -22.906 -4.675 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -21.654 -4.114 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -20.043 -6.739 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -19.349 -5.107 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -18.968 -6.355 -3.572 1.00 0.00 H new ATOM 817 N ASP A 185 -17.730 -3.629 -2.603 1.00 0.00 N ATOM 818 CA ASP A 185 -16.445 -3.409 -3.283 1.00 0.00 C ATOM 819 C ASP A 185 -15.613 -2.383 -2.527 1.00 0.00 C ATOM 820 O ASP A 185 -15.395 -1.272 -3.007 1.00 0.00 O ATOM 821 CB ASP A 185 -16.694 -2.908 -4.707 1.00 0.00 C ATOM 822 CG ASP A 185 -15.375 -2.821 -5.467 1.00 0.00 C ATOM 823 OD1 ASP A 185 -14.565 -3.720 -5.313 1.00 0.00 O ATOM 824 OD2 ASP A 185 -15.195 -1.858 -6.194 1.00 0.00 O ATOM 0 H ASP A 185 -18.314 -2.796 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.902 -4.353 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.377 -3.582 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.172 -1.929 -4.679 1.00 0.00 H new ATOM 829 N MET A 186 -15.156 -2.763 -1.337 1.00 0.00 N ATOM 830 CA MET A 186 -14.359 -1.867 -0.509 1.00 0.00 C ATOM 831 C MET A 186 -13.538 -2.652 0.515 1.00 0.00 C ATOM 832 O MET A 186 -13.825 -3.816 0.790 1.00 0.00 O ATOM 833 CB MET A 186 -15.277 -0.866 0.210 1.00 0.00 C ATOM 834 CG MET A 186 -15.829 0.168 -0.777 1.00 0.00 C ATOM 835 SD MET A 186 -16.398 1.622 0.140 1.00 0.00 S ATOM 836 CE MET A 186 -16.018 2.862 -1.123 1.00 0.00 C ATOM 0 H MET A 186 -15.324 -3.682 -0.927 1.00 0.00 H new ATOM 0 HA MET A 186 -13.669 -1.325 -1.156 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.101 -1.398 0.686 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.724 -0.361 1.002 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.058 0.453 -1.492 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.652 -0.261 -1.349 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.178 3.859 -0.714 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.978 2.760 -1.432 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.669 2.715 -1.985 1.00 0.00 H new ATOM 846 N PHE A 187 -12.515 -1.999 1.080 1.00 0.00 N ATOM 847 CA PHE A 187 -11.649 -2.636 2.083 1.00 0.00 C ATOM 848 C PHE A 187 -11.420 -1.704 3.277 1.00 0.00 C ATOM 849 O PHE A 187 -11.143 -0.517 3.108 1.00 0.00 O ATOM 850 CB PHE A 187 -10.320 -3.001 1.432 1.00 0.00 C ATOM 851 CG PHE A 187 -10.609 -3.954 0.304 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.702 -5.324 0.559 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.820 -3.463 -0.989 1.00 0.00 C ATOM 854 CE1 PHE A 187 -10.998 -6.211 -0.481 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.120 -4.346 -2.029 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.210 -5.722 -1.777 1.00 0.00 C ATOM 0 H PHE A 187 -12.266 -1.034 0.862 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.135 -3.538 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.819 -2.108 1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.651 -3.461 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.545 -5.699 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.751 -2.403 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.063 -7.271 -0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.283 -3.968 -3.028 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.443 -6.405 -2.581 1.00 0.00 H new ATOM 866 N THR A 188 -11.566 -2.255 4.487 1.00 0.00 N ATOM 867 CA THR A 188 -11.402 -1.463 5.708 1.00 0.00 C ATOM 868 C THR A 188 -9.947 -1.035 5.898 1.00 0.00 C ATOM 869 O THR A 188 -9.658 -0.116 6.664 1.00 0.00 O ATOM 870 CB THR A 188 -11.869 -2.253 6.959 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.739 -2.662 7.719 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.669 -3.494 6.551 1.00 0.00 C ATOM 0 H THR A 188 -11.795 -3.236 4.645 1.00 0.00 H new ATOM 0 HA THR A 188 -12.024 -0.575 5.596 1.00 0.00 H new ATOM 0 HB THR A 188 -12.505 -1.600 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.038 -3.159 8.509 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.986 -4.032 7.444 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.546 -3.190 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.045 -4.144 5.938 1.00 0.00 H new ATOM 880 N GLY A 189 -9.033 -1.709 5.208 1.00 0.00 N ATOM 881 CA GLY A 189 -7.618 -1.390 5.330 1.00 0.00 C ATOM 882 C GLY A 189 -6.821 -1.997 4.188 1.00 0.00 C ATOM 883 O GLY A 189 -7.298 -2.893 3.494 1.00 0.00 O ATOM 0 H GLY A 189 -9.245 -2.472 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.485 -0.308 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.238 -1.763 6.281 1.00 0.00 H new ATOM 887 N VAL A 190 -5.599 -1.498 3.987 1.00 0.00 N ATOM 888 CA VAL A 190 -4.748 -2.006 2.910 1.00 0.00 C ATOM 889 C VAL A 190 -3.278 -2.066 3.323 1.00 0.00 C ATOM 890 O VAL A 190 -2.785 -1.202 4.048 1.00 0.00 O ATOM 891 CB VAL A 190 -4.909 -1.115 1.664 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.493 0.323 2.000 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.046 -1.649 0.489 1.00 0.00 C ATOM 0 H VAL A 190 -5.182 -0.754 4.547 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.065 -3.024 2.684 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.955 -1.132 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.608 0.951 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.124 0.706 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.451 0.335 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.176 -1.004 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -2.996 -1.656 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.359 -2.663 0.239 1.00 0.00 H new ATOM 903 N GLU A 191 -2.582 -3.096 2.835 1.00 0.00 N ATOM 904 CA GLU A 191 -1.157 -3.280 3.126 1.00 0.00 C ATOM 905 C GLU A 191 -0.332 -3.068 1.861 1.00 0.00 C ATOM 906 O GLU A 191 -0.730 -3.490 0.775 1.00 0.00 O ATOM 907 CB GLU A 191 -0.915 -4.686 3.693 1.00 0.00 C ATOM 908 CG GLU A 191 -1.138 -5.771 2.629 1.00 0.00 C ATOM 909 CD GLU A 191 -0.826 -7.142 3.220 1.00 0.00 C ATOM 910 OE1 GLU A 191 0.041 -7.212 4.077 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.456 -8.101 2.808 1.00 0.00 O ATOM 0 H GLU A 191 -2.983 -3.817 2.235 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.848 -2.545 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.103 -4.754 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.584 -4.859 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.169 -5.742 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.501 -5.583 1.765 1.00 0.00 H new ATOM 918 N PHE A 192 0.821 -2.419 2.003 1.00 0.00 N ATOM 919 CA PHE A 192 1.692 -2.171 0.856 1.00 0.00 C ATOM 920 C PHE A 192 3.146 -2.057 1.291 1.00 0.00 C ATOM 921 O PHE A 192 3.445 -1.564 2.379 1.00 0.00 O ATOM 922 CB PHE A 192 1.270 -0.898 0.118 1.00 0.00 C ATOM 923 CG PHE A 192 1.126 0.260 1.079 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.044 0.306 1.968 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.066 1.301 1.070 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.097 1.386 2.846 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.923 2.381 1.948 1.00 0.00 C ATOM 928 CZ PHE A 192 0.842 2.424 2.835 1.00 0.00 C ATOM 0 H PHE A 192 1.172 -2.059 2.890 1.00 0.00 H new ATOM 0 HA PHE A 192 1.596 -3.019 0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 192 2.009 -0.653 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.325 -1.068 -0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.682 -0.493 1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.900 1.269 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.930 1.419 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.648 3.182 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.732 3.259 3.512 1.00 0.00 H new ATOM 938 N VAL A 193 4.048 -2.519 0.427 1.00 0.00 N ATOM 939 CA VAL A 193 5.484 -2.475 0.717 1.00 0.00 C ATOM 940 C VAL A 193 6.142 -1.311 -0.010 1.00 0.00 C ATOM 941 O VAL A 193 5.712 -0.919 -1.095 1.00 0.00 O ATOM 942 CB VAL A 193 6.152 -3.784 0.279 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.669 -3.686 0.477 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.603 -4.941 1.120 1.00 0.00 C ATOM 0 H VAL A 193 3.813 -2.927 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 193 5.609 -2.342 1.792 1.00 0.00 H new ATOM 0 HB VAL A 193 5.938 -3.962 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.138 -4.619 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.062 -2.864 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.888 -3.505 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 193 6.077 -5.873 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.816 -4.758 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.525 -5.016 0.976 1.00 0.00 H new ATOM 954 N CYS A 194 7.197 -0.765 0.595 1.00 0.00 N ATOM 955 CA CYS A 194 7.932 0.355 0.003 1.00 0.00 C ATOM 956 C CYS A 194 9.379 -0.045 -0.267 1.00 0.00 C ATOM 957 O CYS A 194 9.923 -0.917 0.408 1.00 0.00 O ATOM 958 CB CYS A 194 7.906 1.554 0.953 1.00 0.00 C ATOM 959 SG CYS A 194 6.268 2.318 0.917 1.00 0.00 S ATOM 0 H CYS A 194 7.562 -1.079 1.494 1.00 0.00 H new ATOM 0 HA CYS A 194 7.455 0.625 -0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.147 1.233 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.664 2.280 0.660 1.00 0.00 H new ATOM 964 N CYS A 195 10.001 0.599 -1.258 1.00 0.00 N ATOM 965 CA CYS A 195 11.393 0.297 -1.606 1.00 0.00 C ATOM 966 C CYS A 195 12.147 1.586 -1.977 1.00 0.00 C ATOM 967 O CYS A 195 11.561 2.496 -2.561 1.00 0.00 O ATOM 968 CB CYS A 195 11.419 -0.684 -2.783 1.00 0.00 C ATOM 969 SG CYS A 195 11.064 -2.354 -2.174 1.00 0.00 S ATOM 0 H CYS A 195 9.569 1.326 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 195 11.887 -0.153 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.682 -0.392 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.394 -0.661 -3.270 1.00 0.00 H new ATOM 974 N PRO A 196 13.423 1.692 -1.653 1.00 0.00 N ATOM 975 CA PRO A 196 14.234 2.911 -1.967 1.00 0.00 C ATOM 976 C PRO A 196 14.626 2.988 -3.443 1.00 0.00 C ATOM 977 O PRO A 196 15.411 3.847 -3.842 1.00 0.00 O ATOM 978 CB PRO A 196 15.471 2.743 -1.079 1.00 0.00 C ATOM 979 CG PRO A 196 15.653 1.266 -0.980 1.00 0.00 C ATOM 980 CD PRO A 196 14.241 0.675 -0.954 1.00 0.00 C ATOM 0 HA PRO A 196 13.683 3.833 -1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.345 3.223 -1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.321 3.192 -0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.222 0.884 -1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.206 0.999 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.201 -0.289 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.893 0.513 0.066 1.00 0.00 H new ATOM 988 N ASN A 197 14.075 2.086 -4.246 1.00 0.00 N ATOM 989 CA ASN A 197 14.378 2.065 -5.672 1.00 0.00 C ATOM 990 C ASN A 197 14.280 3.472 -6.258 1.00 0.00 C ATOM 991 O ASN A 197 13.591 4.291 -5.672 1.00 0.00 O ATOM 992 CB ASN A 197 13.395 1.135 -6.389 1.00 0.00 C ATOM 993 CG ASN A 197 13.796 -0.323 -6.187 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.903 -0.609 -5.732 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.951 -1.264 -6.500 1.00 0.00 N ATOM 996 OXT ASN A 197 14.897 3.711 -7.282 1.00 0.00 O ATOM 0 H ASN A 197 13.422 1.366 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 197 15.395 1.699 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.387 1.297 -6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.374 1.369 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.206 -2.243 -6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.035 -1.022 -6.877 1.00 0.00 H new