USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 531 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 189 TYR OH : rot -30:sc= 1.21 USER MOD Set 1.2: A 193 GLN : amide:sc= 0.81 K(o=2,f=0.081) USER MOD Set 2.1: A 171 CYS SG : rot -110:sc= 0.682 USER MOD Set 2.2: A 177 CYS SG : rot -136:sc= 0.701 USER MOD Set 2.3: A 187 CYS SG : rot 49:sc= -0.597 USER MOD Set 2.4: A 190 CYS SG : rot 116:sc= -1.44! USER MOD Set 3.1: A 162 THR OG1 : rot 81:sc= 2.1 USER MOD Set 3.2: A 169 TYR OH : rot 174:sc= 1.21 USER MOD Set 4.1: A 135 CYS SG : rot -144:sc= 1.26 USER MOD Set 4.2: A 138 CYS SG : rot -104:sc= 0.688 USER MOD Set 4.3: A 151 SER OG : rot 47:sc= 1.19 USER MOD Set 4.4: A 152 CYS SG : rot -64:sc= 0.411 USER MOD Set 4.5: A 155 CYS SG : rot -70:sc= 0.459 USER MOD Single : A 133 HIS : no HD1:sc= -0.165 K(o=-0.17,f=-0.85) USER MOD Single : A 142 SER OG : rot 89:sc= 1.07 USER MOD Single : A 143 SER OG : rot -100:sc= 0.0759 USER MOD Single : A 145 LYS NZ :NH3+ 130:sc= 0.271 (180deg=-0.199) USER MOD Single : A 146 HIS : no HE2:sc= -0.393 K(o=-0.39,f=-5.2!) USER MOD Single : A 147 TYR OH : rot 30:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 LYS NZ :NH3+ 142:sc= 0.542 (180deg=-0.0548) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.113) USER MOD Single : A 168 THR OG1 : rot 47:sc= 0.51 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 174 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 LYS NZ :NH3+ -173:sc= -0.267 (180deg=-0.494) USER MOD Single : A 188 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 192 TYR OH : rot 167:sc= 1.72 USER MOD Single : A 194 LYS NZ :NH3+ 139:sc= 1.45 (180deg=0.586) USER MOD Single : A 198 MET CE :methyl 168:sc= -0.178 (180deg=-0.366) USER MOD Single : A 200 MET CE :methyl -166:sc= -0.499 (180deg=-0.618) USER MOD Single : A 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -4.389 -3.879 15.577 1.00 0.00 N ATOM 58 CA HIS A 133 -3.668 -3.191 14.517 1.00 0.00 C ATOM 59 C HIS A 133 -3.979 -3.795 13.145 1.00 0.00 C ATOM 60 O HIS A 133 -3.163 -4.514 12.567 1.00 0.00 O ATOM 61 CB HIS A 133 -2.158 -3.206 14.794 1.00 0.00 C ATOM 62 CG HIS A 133 -1.700 -2.406 15.988 1.00 0.00 C ATOM 63 ND1 HIS A 133 -2.484 -1.874 16.988 1.00 0.00 N ATOM 64 CD2 HIS A 133 -0.407 -2.027 16.236 1.00 0.00 C ATOM 65 CE1 HIS A 133 -1.674 -1.211 17.828 1.00 0.00 C ATOM 66 NE2 HIS A 133 -0.399 -1.273 17.412 1.00 0.00 N ATOM 0 HA HIS A 133 -4.005 -2.154 14.502 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.844 -4.241 14.932 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -1.642 -2.831 13.910 1.00 0.00 H new ATOM 0 HD2 HIS A 133 0.454 -2.268 15.630 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -2.003 -0.697 18.719 1.00 0.00 H new ATOM 0 HE2 HIS A 133 0.413 -0.853 17.864 1.00 0.00 H new ATOM 74 N ILE A 134 -5.153 -3.490 12.600 1.00 0.00 N ATOM 75 CA ILE A 134 -5.500 -3.907 11.255 1.00 0.00 C ATOM 76 C ILE A 134 -4.719 -3.041 10.266 1.00 0.00 C ATOM 77 O ILE A 134 -4.408 -1.883 10.537 1.00 0.00 O ATOM 78 CB ILE A 134 -7.013 -3.851 10.997 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.662 -2.547 11.491 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.670 -5.099 11.596 1.00 0.00 C ATOM 81 CD1 ILE A 134 -9.037 -2.325 10.855 1.00 0.00 C ATOM 0 H ILE A 134 -5.879 -2.954 13.075 1.00 0.00 H new ATOM 0 HA ILE A 134 -5.224 -4.953 11.123 1.00 0.00 H new ATOM 0 HB ILE A 134 -7.178 -3.847 9.919 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -7.763 -2.579 12.576 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -7.012 -1.705 11.256 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.745 -5.066 11.417 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -7.251 -5.990 11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.482 -5.130 12.669 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -9.464 -1.394 11.228 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -8.932 -2.267 9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -9.695 -3.155 11.112 1.00 0.00 H new ATOM 93 N CYS A 135 -4.376 -3.633 9.128 1.00 0.00 N ATOM 94 CA CYS A 135 -3.606 -3.007 8.079 1.00 0.00 C ATOM 95 C CYS A 135 -4.429 -1.882 7.479 1.00 0.00 C ATOM 96 O CYS A 135 -5.491 -2.142 6.917 1.00 0.00 O ATOM 97 CB CYS A 135 -3.258 -4.045 7.006 1.00 0.00 C ATOM 98 SG CYS A 135 -2.405 -3.365 5.565 1.00 0.00 S ATOM 0 H CYS A 135 -4.639 -4.594 8.910 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.678 -2.603 8.483 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.632 -4.817 7.453 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -4.176 -4.530 6.675 1.00 0.00 H new ATOM 0 HG CYS A 135 -2.803 -3.984 4.493 1.00 0.00 H new ATOM 103 N ALA A 136 -3.943 -0.644 7.568 1.00 0.00 N ATOM 104 CA ALA A 136 -4.655 0.506 7.027 1.00 0.00 C ATOM 105 C ALA A 136 -5.131 0.286 5.585 1.00 0.00 C ATOM 106 O ALA A 136 -6.215 0.719 5.207 1.00 0.00 O ATOM 107 CB ALA A 136 -3.744 1.730 7.109 1.00 0.00 C ATOM 0 H ALA A 136 -3.054 -0.415 8.013 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.554 0.659 7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.265 2.599 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.477 1.916 8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.839 1.549 6.529 1.00 0.00 H new ATOM 113 N ILE A 137 -4.293 -0.359 4.776 1.00 0.00 N ATOM 114 CA ILE A 137 -4.542 -0.569 3.357 1.00 0.00 C ATOM 115 C ILE A 137 -5.547 -1.693 3.055 1.00 0.00 C ATOM 116 O ILE A 137 -6.282 -1.557 2.080 1.00 0.00 O ATOM 117 CB ILE A 137 -3.192 -0.763 2.637 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.336 0.514 2.761 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.377 -1.095 1.146 1.00 0.00 C ATOM 120 CD1 ILE A 137 -0.840 0.214 2.646 1.00 0.00 C ATOM 0 H ILE A 137 -3.409 -0.755 5.096 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.033 0.322 2.967 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.690 -1.603 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.625 1.221 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.537 0.994 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.401 -1.223 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -3.951 -2.016 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -3.910 -0.281 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.275 1.141 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.544 -0.472 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.634 -0.241 1.677 1.00 0.00 H new ATOM 132 N CYS A 138 -5.579 -2.800 3.819 1.00 0.00 N ATOM 133 CA CYS A 138 -6.448 -3.939 3.481 1.00 0.00 C ATOM 134 C CYS A 138 -7.112 -4.666 4.654 1.00 0.00 C ATOM 135 O CYS A 138 -7.682 -5.737 4.470 1.00 0.00 O ATOM 136 CB CYS A 138 -5.667 -4.933 2.613 1.00 0.00 C ATOM 137 SG CYS A 138 -4.293 -5.788 3.420 1.00 0.00 S ATOM 0 H CYS A 138 -5.021 -2.929 4.663 1.00 0.00 H new ATOM 0 HA CYS A 138 -7.286 -3.500 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -6.364 -5.682 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.277 -4.399 1.747 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.168 -5.270 3.025 1.00 0.00 H new ATOM 142 N GLY A 139 -7.063 -4.113 5.861 1.00 0.00 N ATOM 143 CA GLY A 139 -7.736 -4.680 7.024 1.00 0.00 C ATOM 144 C GLY A 139 -7.142 -5.981 7.582 1.00 0.00 C ATOM 145 O GLY A 139 -7.636 -6.482 8.589 1.00 0.00 O ATOM 0 H GLY A 139 -6.552 -3.253 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.734 -3.934 7.819 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.778 -4.864 6.761 1.00 0.00 H new ATOM 149 N ASP A 140 -6.091 -6.539 6.975 1.00 0.00 N ATOM 150 CA ASP A 140 -5.452 -7.759 7.461 1.00 0.00 C ATOM 151 C ASP A 140 -4.740 -7.452 8.775 1.00 0.00 C ATOM 152 O ASP A 140 -4.325 -6.320 8.980 1.00 0.00 O ATOM 153 CB ASP A 140 -4.411 -8.244 6.444 1.00 0.00 C ATOM 154 CG ASP A 140 -4.996 -8.849 5.174 1.00 0.00 C ATOM 155 OD1 ASP A 140 -6.181 -9.248 5.202 1.00 0.00 O ATOM 156 OD2 ASP A 140 -4.222 -8.948 4.201 1.00 0.00 O ATOM 0 H ASP A 140 -5.661 -6.156 6.133 1.00 0.00 H new ATOM 0 HA ASP A 140 -6.209 -8.530 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.772 -7.404 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.773 -8.986 6.923 1.00 0.00 H new ATOM 161 N ARG A 141 -4.550 -8.432 9.660 1.00 0.00 N ATOM 162 CA ARG A 141 -3.814 -8.173 10.894 1.00 0.00 C ATOM 163 C ARG A 141 -2.389 -7.731 10.513 1.00 0.00 C ATOM 164 O ARG A 141 -1.703 -8.443 9.781 1.00 0.00 O ATOM 165 CB ARG A 141 -3.822 -9.422 11.785 1.00 0.00 C ATOM 166 CG ARG A 141 -3.552 -9.035 13.246 1.00 0.00 C ATOM 167 CD ARG A 141 -3.138 -10.244 14.103 1.00 0.00 C ATOM 168 NE ARG A 141 -1.961 -10.938 13.556 1.00 0.00 N ATOM 169 CZ ARG A 141 -0.771 -10.363 13.336 1.00 0.00 C ATOM 170 NH1 ARG A 141 -0.494 -9.167 13.860 1.00 0.00 N ATOM 171 NH2 ARG A 141 0.133 -10.974 12.565 1.00 0.00 N ATOM 0 H ARG A 141 -4.887 -9.388 9.549 1.00 0.00 H new ATOM 0 HA ARG A 141 -4.284 -7.377 11.472 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -4.785 -9.927 11.707 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.064 -10.127 11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -2.765 -8.281 13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -4.447 -8.581 13.671 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.921 -9.910 15.118 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -3.972 -10.943 14.168 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.058 -11.927 13.328 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -1.190 -8.687 14.431 1.00 0.00 H new ATOM 0 HH12 ARG A 141 0.413 -8.733 13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.083 -11.878 12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.039 -10.537 12.397 1.00 0.00 H new ATOM 185 N SER A 142 -1.963 -6.541 10.948 1.00 0.00 N ATOM 186 CA SER A 142 -0.668 -5.991 10.565 1.00 0.00 C ATOM 187 C SER A 142 0.504 -6.861 11.007 1.00 0.00 C ATOM 188 O SER A 142 0.505 -7.437 12.093 1.00 0.00 O ATOM 189 CB SER A 142 -0.505 -4.589 11.157 1.00 0.00 C ATOM 190 OG SER A 142 -1.483 -3.733 10.606 1.00 0.00 O ATOM 0 H SER A 142 -2.504 -5.940 11.570 1.00 0.00 H new ATOM 0 HA SER A 142 -0.653 -5.954 9.476 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.607 -4.626 12.242 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.493 -4.205 10.943 1.00 0.00 H new ATOM 0 HG SER A 142 -2.298 -3.776 11.148 1.00 0.00 H new ATOM 196 N SER A 143 1.555 -6.862 10.191 1.00 0.00 N ATOM 197 CA SER A 143 2.810 -7.512 10.509 1.00 0.00 C ATOM 198 C SER A 143 3.553 -6.596 11.483 1.00 0.00 C ATOM 199 O SER A 143 4.237 -7.076 12.382 1.00 0.00 O ATOM 200 CB SER A 143 3.620 -7.752 9.231 1.00 0.00 C ATOM 201 OG SER A 143 2.844 -8.442 8.262 1.00 0.00 O ATOM 0 H SER A 143 1.552 -6.404 9.280 1.00 0.00 H new ATOM 0 HA SER A 143 2.648 -8.488 10.966 1.00 0.00 H new ATOM 0 HB2 SER A 143 3.954 -6.798 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 143 4.514 -8.330 9.465 1.00 0.00 H new ATOM 0 HG SER A 143 3.081 -9.393 8.270 1.00 0.00 H new ATOM 207 N GLY A 144 3.393 -5.277 11.325 1.00 0.00 N ATOM 208 CA GLY A 144 3.987 -4.304 12.217 1.00 0.00 C ATOM 209 C GLY A 144 3.682 -2.898 11.717 1.00 0.00 C ATOM 210 O GLY A 144 2.897 -2.716 10.784 1.00 0.00 O ATOM 0 H GLY A 144 2.845 -4.865 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 144 3.596 -4.435 13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.065 -4.456 12.271 1.00 0.00 H new ATOM 214 N LYS A 145 4.334 -1.908 12.326 1.00 0.00 N ATOM 215 CA LYS A 145 4.231 -0.527 11.897 1.00 0.00 C ATOM 216 C LYS A 145 5.186 -0.395 10.714 1.00 0.00 C ATOM 217 O LYS A 145 6.349 -0.791 10.812 1.00 0.00 O ATOM 218 CB LYS A 145 4.560 0.412 13.063 1.00 0.00 C ATOM 219 CG LYS A 145 3.996 1.816 12.816 1.00 0.00 C ATOM 220 CD LYS A 145 4.200 2.682 14.065 1.00 0.00 C ATOM 221 CE LYS A 145 3.550 4.062 13.922 1.00 0.00 C ATOM 222 NZ LYS A 145 2.087 3.981 13.757 1.00 0.00 N ATOM 0 H LYS A 145 4.946 -2.048 13.130 1.00 0.00 H new ATOM 0 HA LYS A 145 3.224 -0.247 11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 145 4.147 0.008 13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.641 0.469 13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 145 4.493 2.273 11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 145 2.935 1.755 12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 145 3.780 2.172 14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 145 5.267 2.802 14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 145 3.781 4.662 14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.982 4.576 13.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 1.626 4.627 14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 1.832 4.251 12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 1.770 3.007 13.940 1.00 0.00 H new ATOM 236 N HIS A 146 4.694 0.079 9.573 1.00 0.00 N ATOM 237 CA HIS A 146 5.459 0.184 8.346 1.00 0.00 C ATOM 238 C HIS A 146 5.258 1.583 7.783 1.00 0.00 C ATOM 239 O HIS A 146 4.126 2.041 7.650 1.00 0.00 O ATOM 240 CB HIS A 146 4.977 -0.876 7.352 1.00 0.00 C ATOM 241 CG HIS A 146 5.057 -2.297 7.863 1.00 0.00 C ATOM 242 ND1 HIS A 146 5.873 -2.762 8.870 1.00 0.00 N ATOM 243 CD2 HIS A 146 4.341 -3.363 7.389 1.00 0.00 C ATOM 244 CE1 HIS A 146 5.659 -4.084 8.987 1.00 0.00 C ATOM 245 NE2 HIS A 146 4.738 -4.496 8.101 1.00 0.00 N ATOM 0 H HIS A 146 3.732 0.406 9.479 1.00 0.00 H new ATOM 0 HA HIS A 146 6.519 0.016 8.534 1.00 0.00 H new ATOM 0 HB2 HIS A 146 3.944 -0.658 7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.569 -0.797 6.440 1.00 0.00 H new ATOM 0 HD1 HIS A 146 6.522 -2.205 9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 146 3.600 -3.333 6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 146 6.159 -4.727 9.696 1.00 0.00 H new ATOM 253 N TYR A 147 6.363 2.262 7.472 1.00 0.00 N ATOM 254 CA TYR A 147 6.371 3.598 6.894 1.00 0.00 C ATOM 255 C TYR A 147 5.393 4.551 7.596 1.00 0.00 C ATOM 256 O TYR A 147 4.762 5.386 6.952 1.00 0.00 O ATOM 257 CB TYR A 147 6.137 3.492 5.377 1.00 0.00 C ATOM 258 CG TYR A 147 6.930 2.401 4.671 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.292 2.199 4.968 1.00 0.00 C ATOM 260 CD2 TYR A 147 6.299 1.559 3.736 1.00 0.00 C ATOM 261 CE1 TYR A 147 9.035 1.225 4.284 1.00 0.00 C ATOM 262 CE2 TYR A 147 7.037 0.564 3.070 1.00 0.00 C ATOM 263 CZ TYR A 147 8.408 0.413 3.327 1.00 0.00 C ATOM 264 OH TYR A 147 9.103 -0.590 2.722 1.00 0.00 O ATOM 0 H TYR A 147 7.299 1.885 7.621 1.00 0.00 H new ATOM 0 HA TYR A 147 7.350 4.049 7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 147 5.075 3.318 5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.383 4.451 4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.769 2.799 5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 147 5.246 1.677 3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 147 10.087 1.101 4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 147 6.547 -0.085 2.359 1.00 0.00 H new ATOM 0 HH TYR A 147 9.789 -0.928 3.334 1.00 0.00 H new ATOM 274 N GLY A 148 5.299 4.433 8.926 1.00 0.00 N ATOM 275 CA GLY A 148 4.477 5.288 9.770 1.00 0.00 C ATOM 276 C GLY A 148 3.089 4.743 10.125 1.00 0.00 C ATOM 277 O GLY A 148 2.455 5.324 11.004 1.00 0.00 O ATOM 0 H GLY A 148 5.807 3.721 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 148 5.018 5.480 10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.352 6.248 9.269 1.00 0.00 H new ATOM 281 N VAL A 149 2.589 3.673 9.490 1.00 0.00 N ATOM 282 CA VAL A 149 1.236 3.173 9.762 1.00 0.00 C ATOM 283 C VAL A 149 1.224 1.645 9.893 1.00 0.00 C ATOM 284 O VAL A 149 2.046 0.959 9.290 1.00 0.00 O ATOM 285 CB VAL A 149 0.285 3.669 8.653 1.00 0.00 C ATOM 286 CG1 VAL A 149 -1.165 3.241 8.903 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.319 5.197 8.497 1.00 0.00 C ATOM 0 H VAL A 149 3.100 3.140 8.787 1.00 0.00 H new ATOM 0 HA VAL A 149 0.888 3.563 10.718 1.00 0.00 H new ATOM 0 HB VAL A 149 0.647 3.206 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.798 3.612 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.222 2.153 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.507 3.653 9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -0.367 5.497 7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.018 5.665 9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.330 5.514 8.241 1.00 0.00 H new ATOM 297 N TYR A 150 0.294 1.095 10.682 1.00 0.00 N ATOM 298 CA TYR A 150 0.161 -0.346 10.859 1.00 0.00 C ATOM 299 C TYR A 150 -0.185 -0.997 9.517 1.00 0.00 C ATOM 300 O TYR A 150 -1.149 -0.589 8.860 1.00 0.00 O ATOM 301 CB TYR A 150 -0.904 -0.656 11.918 1.00 0.00 C ATOM 302 CG TYR A 150 -0.715 0.003 13.275 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.569 0.172 13.830 1.00 0.00 C ATOM 304 CD2 TYR A 150 -1.843 0.427 14.004 1.00 0.00 C ATOM 305 CE1 TYR A 150 0.732 0.919 15.008 1.00 0.00 C ATOM 306 CE2 TYR A 150 -1.681 1.162 15.191 1.00 0.00 C ATOM 307 CZ TYR A 150 -0.391 1.432 15.678 1.00 0.00 C ATOM 308 OH TYR A 150 -0.219 2.194 16.794 1.00 0.00 O ATOM 0 H TYR A 150 -0.385 1.640 11.213 1.00 0.00 H new ATOM 0 HA TYR A 150 1.107 -0.758 11.210 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.875 -0.357 11.524 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.938 -1.736 12.064 1.00 0.00 H new ATOM 0 HD1 TYR A 150 1.428 -0.273 13.350 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -2.835 0.187 13.650 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.722 1.099 15.399 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -2.547 1.519 15.728 1.00 0.00 H new ATOM 0 HH TYR A 150 -1.093 2.472 17.138 1.00 0.00 H new ATOM 318 N SER A 151 0.611 -1.985 9.094 1.00 0.00 N ATOM 319 CA SER A 151 0.389 -2.661 7.829 1.00 0.00 C ATOM 320 C SER A 151 0.988 -4.067 7.837 1.00 0.00 C ATOM 321 O SER A 151 1.616 -4.487 8.810 1.00 0.00 O ATOM 322 CB SER A 151 0.901 -1.778 6.687 1.00 0.00 C ATOM 323 OG SER A 151 0.605 -2.340 5.425 1.00 0.00 O ATOM 0 H SER A 151 1.416 -2.329 9.618 1.00 0.00 H new ATOM 0 HA SER A 151 -0.679 -2.810 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 151 0.450 -0.788 6.761 1.00 0.00 H new ATOM 0 HB3 SER A 151 1.979 -1.645 6.784 1.00 0.00 H new ATOM 0 HG SER A 151 -0.331 -2.629 5.407 1.00 0.00 H new ATOM 329 N CYS A 152 0.776 -4.795 6.740 1.00 0.00 N ATOM 330 CA CYS A 152 1.248 -6.160 6.548 1.00 0.00 C ATOM 331 C CYS A 152 2.390 -6.195 5.530 1.00 0.00 C ATOM 332 O CYS A 152 2.433 -5.363 4.622 1.00 0.00 O ATOM 333 CB CYS A 152 0.089 -7.088 6.168 1.00 0.00 C ATOM 334 SG CYS A 152 -0.837 -6.662 4.672 1.00 0.00 S ATOM 0 H CYS A 152 0.255 -4.437 5.939 1.00 0.00 H new ATOM 0 HA CYS A 152 1.651 -6.532 7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.486 -8.096 6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.610 -7.119 7.004 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.441 -5.524 4.845 1.00 0.00 H new ATOM 339 N GLU A 153 3.315 -7.154 5.673 1.00 0.00 N ATOM 340 CA GLU A 153 4.475 -7.280 4.786 1.00 0.00 C ATOM 341 C GLU A 153 4.108 -7.182 3.300 1.00 0.00 C ATOM 342 O GLU A 153 4.811 -6.528 2.536 1.00 0.00 O ATOM 343 CB GLU A 153 5.256 -8.577 5.043 1.00 0.00 C ATOM 344 CG GLU A 153 5.837 -8.712 6.459 1.00 0.00 C ATOM 345 CD GLU A 153 6.684 -7.518 6.898 1.00 0.00 C ATOM 346 OE1 GLU A 153 7.436 -7.000 6.044 1.00 0.00 O ATOM 347 OE2 GLU A 153 6.573 -7.155 8.089 1.00 0.00 O ATOM 0 H GLU A 153 3.279 -7.862 6.406 1.00 0.00 H new ATOM 0 HA GLU A 153 5.114 -6.430 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 153 4.597 -9.424 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 153 6.072 -8.641 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 153 5.018 -8.843 7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 153 6.447 -9.614 6.506 1.00 0.00 H new ATOM 354 N GLY A 154 3.015 -7.823 2.877 1.00 0.00 N ATOM 355 CA GLY A 154 2.577 -7.771 1.486 1.00 0.00 C ATOM 356 C GLY A 154 2.372 -6.325 1.027 1.00 0.00 C ATOM 357 O GLY A 154 2.855 -5.913 -0.029 1.00 0.00 O ATOM 0 H GLY A 154 2.418 -8.385 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.317 -8.256 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 154 1.646 -8.327 1.373 1.00 0.00 H new ATOM 361 N CYS A 155 1.675 -5.537 1.850 1.00 0.00 N ATOM 362 CA CYS A 155 1.433 -4.129 1.589 1.00 0.00 C ATOM 363 C CYS A 155 2.739 -3.345 1.666 1.00 0.00 C ATOM 364 O CYS A 155 2.968 -2.476 0.828 1.00 0.00 O ATOM 365 CB CYS A 155 0.370 -3.597 2.543 1.00 0.00 C ATOM 366 SG CYS A 155 -1.314 -4.036 2.052 1.00 0.00 S ATOM 0 H CYS A 155 1.262 -5.868 2.722 1.00 0.00 H new ATOM 0 HA CYS A 155 1.048 -4.003 0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.562 -3.985 3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.453 -2.512 2.600 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.640 -3.375 0.981 1.00 0.00 H new ATOM 371 N LYS A 156 3.599 -3.658 2.638 1.00 0.00 N ATOM 372 CA LYS A 156 4.905 -3.020 2.761 1.00 0.00 C ATOM 373 C LYS A 156 5.672 -3.172 1.444 1.00 0.00 C ATOM 374 O LYS A 156 6.023 -2.181 0.807 1.00 0.00 O ATOM 375 CB LYS A 156 5.683 -3.633 3.932 1.00 0.00 C ATOM 376 CG LYS A 156 6.925 -2.807 4.276 1.00 0.00 C ATOM 377 CD LYS A 156 7.693 -3.502 5.407 1.00 0.00 C ATOM 378 CE LYS A 156 8.940 -2.716 5.822 1.00 0.00 C ATOM 379 NZ LYS A 156 8.600 -1.406 6.406 1.00 0.00 N ATOM 0 H LYS A 156 3.408 -4.357 3.356 1.00 0.00 H new ATOM 0 HA LYS A 156 4.777 -1.957 2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.035 -3.698 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 156 5.980 -4.651 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 156 7.562 -2.703 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 156 6.635 -1.801 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.037 -3.623 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 156 7.985 -4.502 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 156 9.511 -3.298 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 156 9.582 -2.570 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 9.247 -1.199 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 8.692 -0.668 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 7.621 -1.426 6.757 1.00 0.00 H new ATOM 393 N GLY A 157 5.910 -4.420 1.031 1.00 0.00 N ATOM 394 CA GLY A 157 6.614 -4.759 -0.194 1.00 0.00 C ATOM 395 C GLY A 157 5.954 -4.102 -1.402 1.00 0.00 C ATOM 396 O GLY A 157 6.630 -3.502 -2.234 1.00 0.00 O ATOM 0 H GLY A 157 5.608 -5.239 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 157 7.653 -4.436 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 157 6.625 -5.841 -0.324 1.00 0.00 H new ATOM 400 N PHE A 158 4.626 -4.211 -1.499 1.00 0.00 N ATOM 401 CA PHE A 158 3.864 -3.595 -2.577 1.00 0.00 C ATOM 402 C PHE A 158 4.151 -2.095 -2.655 1.00 0.00 C ATOM 403 O PHE A 158 4.503 -1.589 -3.721 1.00 0.00 O ATOM 404 CB PHE A 158 2.374 -3.865 -2.366 1.00 0.00 C ATOM 405 CG PHE A 158 1.473 -3.024 -3.243 1.00 0.00 C ATOM 406 CD1 PHE A 158 1.562 -3.142 -4.642 1.00 0.00 C ATOM 407 CD2 PHE A 158 0.745 -1.961 -2.677 1.00 0.00 C ATOM 408 CE1 PHE A 158 0.862 -2.251 -5.471 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.124 -1.016 -3.510 1.00 0.00 C ATOM 410 CZ PHE A 158 0.166 -1.172 -4.904 1.00 0.00 C ATOM 0 H PHE A 158 4.054 -4.729 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 158 4.167 -4.034 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.174 -4.919 -2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.125 -3.680 -1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.170 -3.920 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 158 0.664 -1.872 -1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.859 -2.395 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.386 -0.168 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.338 -0.461 -5.542 1.00 0.00 H new ATOM 420 N PHE A 159 4.007 -1.387 -1.533 1.00 0.00 N ATOM 421 CA PHE A 159 4.264 0.041 -1.475 1.00 0.00 C ATOM 422 C PHE A 159 5.707 0.308 -1.887 1.00 0.00 C ATOM 423 O PHE A 159 5.945 1.162 -2.732 1.00 0.00 O ATOM 424 CB PHE A 159 3.973 0.592 -0.078 1.00 0.00 C ATOM 425 CG PHE A 159 4.129 2.099 0.022 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.161 2.945 -0.550 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.243 2.663 0.672 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.252 4.339 -0.384 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.296 4.048 0.906 1.00 0.00 C ATOM 430 CZ PHE A 159 4.304 4.888 0.371 1.00 0.00 C ATOM 0 H PHE A 159 3.710 -1.792 -0.645 1.00 0.00 H new ATOM 0 HA PHE A 159 3.598 0.556 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 159 2.957 0.320 0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.643 0.117 0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.345 2.523 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.058 2.031 0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.515 4.987 -0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 159 6.098 4.466 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.350 5.954 0.540 1.00 0.00 H new ATOM 440 N LYS A 160 6.665 -0.428 -1.317 1.00 0.00 N ATOM 441 CA LYS A 160 8.078 -0.281 -1.631 1.00 0.00 C ATOM 442 C LYS A 160 8.298 -0.349 -3.149 1.00 0.00 C ATOM 443 O LYS A 160 8.779 0.607 -3.757 1.00 0.00 O ATOM 444 CB LYS A 160 8.888 -1.332 -0.849 1.00 0.00 C ATOM 445 CG LYS A 160 10.306 -0.841 -0.537 1.00 0.00 C ATOM 446 CD LYS A 160 11.118 -1.849 0.282 1.00 0.00 C ATOM 447 CE LYS A 160 11.555 -3.061 -0.548 1.00 0.00 C ATOM 448 NZ LYS A 160 12.423 -3.955 0.236 1.00 0.00 N ATOM 0 H LYS A 160 6.474 -1.147 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 160 8.436 0.700 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.373 -1.569 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 160 8.942 -2.254 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 160 10.828 -0.635 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.247 0.100 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.000 -1.355 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.522 -2.188 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.676 -3.609 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 160 12.085 -2.724 -1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.704 -4.767 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.272 -3.436 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 11.907 -4.294 1.073 1.00 0.00 H new ATOM 462 N ARG A 161 7.906 -1.467 -3.767 1.00 0.00 N ATOM 463 CA ARG A 161 8.008 -1.678 -5.203 1.00 0.00 C ATOM 464 C ARG A 161 7.364 -0.514 -5.962 1.00 0.00 C ATOM 465 O ARG A 161 7.992 0.121 -6.812 1.00 0.00 O ATOM 466 CB ARG A 161 7.315 -2.998 -5.566 1.00 0.00 C ATOM 467 CG ARG A 161 8.105 -4.234 -5.114 1.00 0.00 C ATOM 468 CD ARG A 161 7.312 -5.516 -5.402 1.00 0.00 C ATOM 469 NE ARG A 161 6.164 -5.661 -4.494 1.00 0.00 N ATOM 470 CZ ARG A 161 5.167 -6.550 -4.648 1.00 0.00 C ATOM 471 NH1 ARG A 161 5.113 -7.329 -5.733 1.00 0.00 N ATOM 472 NH2 ARG A 161 4.214 -6.669 -3.717 1.00 0.00 N ATOM 0 H ARG A 161 7.503 -2.261 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 161 9.059 -1.728 -5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 161 6.325 -3.020 -5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 161 7.170 -3.041 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.064 -4.269 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 161 8.320 -4.165 -4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 161 6.961 -5.502 -6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 161 7.968 -6.380 -5.300 1.00 0.00 H new ATOM 0 HE ARG A 161 6.121 -5.040 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 161 5.832 -7.252 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 161 4.353 -8.001 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 161 4.240 -6.083 -2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 161 3.461 -7.346 -3.841 1.00 0.00 H new ATOM 486 N THR A 162 6.097 -0.248 -5.644 1.00 0.00 N ATOM 487 CA THR A 162 5.314 0.797 -6.275 1.00 0.00 C ATOM 488 C THR A 162 6.010 2.150 -6.217 1.00 0.00 C ATOM 489 O THR A 162 6.071 2.831 -7.230 1.00 0.00 O ATOM 490 CB THR A 162 3.927 0.868 -5.635 1.00 0.00 C ATOM 491 OG1 THR A 162 3.272 -0.366 -5.839 1.00 0.00 O ATOM 492 CG2 THR A 162 3.104 1.995 -6.258 1.00 0.00 C ATOM 0 H THR A 162 5.584 -0.764 -4.929 1.00 0.00 H new ATOM 0 HA THR A 162 5.208 0.543 -7.330 1.00 0.00 H new ATOM 0 HB THR A 162 4.032 1.069 -4.569 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.579 -1.014 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.120 2.029 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.613 2.946 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 162 2.990 1.815 -7.327 1.00 0.00 H new ATOM 500 N VAL A 163 6.508 2.556 -5.049 1.00 0.00 N ATOM 501 CA VAL A 163 7.171 3.835 -4.855 1.00 0.00 C ATOM 502 C VAL A 163 8.421 3.909 -5.720 1.00 0.00 C ATOM 503 O VAL A 163 8.595 4.875 -6.462 1.00 0.00 O ATOM 504 CB VAL A 163 7.492 4.020 -3.363 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.566 5.089 -3.107 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.203 4.396 -2.620 1.00 0.00 C ATOM 0 H VAL A 163 6.459 1.992 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 163 6.514 4.649 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 163 7.895 3.076 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.748 5.173 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.490 4.805 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.223 6.049 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.420 4.530 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.805 5.325 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.467 3.601 -2.742 1.00 0.00 H new ATOM 516 N ARG A 164 9.282 2.892 -5.624 1.00 0.00 N ATOM 517 CA ARG A 164 10.521 2.848 -6.393 1.00 0.00 C ATOM 518 C ARG A 164 10.248 3.023 -7.886 1.00 0.00 C ATOM 519 O ARG A 164 10.926 3.790 -8.565 1.00 0.00 O ATOM 520 CB ARG A 164 11.255 1.528 -6.138 1.00 0.00 C ATOM 521 CG ARG A 164 11.753 1.429 -4.692 1.00 0.00 C ATOM 522 CD ARG A 164 12.350 0.043 -4.446 1.00 0.00 C ATOM 523 NE ARG A 164 13.615 -0.076 -5.174 1.00 0.00 N ATOM 524 CZ ARG A 164 14.273 -1.188 -5.512 1.00 0.00 C ATOM 525 NH1 ARG A 164 13.789 -2.400 -5.223 1.00 0.00 N ATOM 526 NH2 ARG A 164 15.441 -1.038 -6.141 1.00 0.00 N ATOM 0 H ARG A 164 9.139 2.085 -5.016 1.00 0.00 H new ATOM 0 HA ARG A 164 11.153 3.674 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.588 0.693 -6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.100 1.443 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.502 2.197 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 164 10.930 1.609 -4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 164 12.515 -0.110 -3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 164 11.654 -0.729 -4.775 1.00 0.00 H new ATOM 0 HE ARG A 164 14.049 0.802 -5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 164 12.898 -2.490 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 164 14.310 -3.235 -5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 164 15.795 -0.103 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 164 15.980 -1.858 -6.419 1.00 0.00 H new ATOM 540 N LYS A 165 9.260 2.288 -8.394 1.00 0.00 N ATOM 541 CA LYS A 165 8.891 2.318 -9.803 1.00 0.00 C ATOM 542 C LYS A 165 8.009 3.527 -10.156 1.00 0.00 C ATOM 543 O LYS A 165 7.913 3.905 -11.322 1.00 0.00 O ATOM 544 CB LYS A 165 8.142 1.021 -10.126 1.00 0.00 C ATOM 545 CG LYS A 165 8.951 -0.260 -9.872 1.00 0.00 C ATOM 546 CD LYS A 165 9.784 -0.614 -11.109 1.00 0.00 C ATOM 547 CE LYS A 165 10.656 -1.853 -10.876 1.00 0.00 C ATOM 548 NZ LYS A 165 11.693 -1.614 -9.854 1.00 0.00 N ATOM 0 H LYS A 165 8.692 1.652 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 165 9.801 2.409 -10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 165 7.230 0.984 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 165 7.838 1.042 -11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 165 9.605 -0.121 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 165 8.277 -1.082 -9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 165 9.120 -0.791 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 165 10.419 0.232 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 165 10.026 -2.687 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 165 11.131 -2.144 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 12.363 -2.410 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 12.202 -0.735 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 11.246 -1.529 -8.919 1.00 0.00 H new ATOM 562 N ASP A 166 7.304 4.073 -9.161 1.00 0.00 N ATOM 563 CA ASP A 166 6.281 5.108 -9.256 1.00 0.00 C ATOM 564 C ASP A 166 5.245 4.732 -10.314 1.00 0.00 C ATOM 565 O ASP A 166 4.926 5.505 -11.214 1.00 0.00 O ATOM 566 CB ASP A 166 6.866 6.512 -9.433 1.00 0.00 C ATOM 567 CG ASP A 166 5.789 7.583 -9.244 1.00 0.00 C ATOM 568 OD1 ASP A 166 4.897 7.359 -8.390 1.00 0.00 O ATOM 569 OD2 ASP A 166 5.885 8.616 -9.940 1.00 0.00 O ATOM 0 H ASP A 166 7.448 3.777 -8.196 1.00 0.00 H new ATOM 0 HA ASP A 166 5.759 5.158 -8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 166 7.670 6.668 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 166 7.305 6.604 -10.426 1.00 0.00 H new ATOM 574 N LEU A 167 4.733 3.505 -10.199 1.00 0.00 N ATOM 575 CA LEU A 167 3.791 2.948 -11.159 1.00 0.00 C ATOM 576 C LEU A 167 2.413 3.601 -11.083 1.00 0.00 C ATOM 577 O LEU A 167 1.670 3.428 -10.117 1.00 0.00 O ATOM 578 CB LEU A 167 3.707 1.426 -10.997 1.00 0.00 C ATOM 579 CG LEU A 167 4.906 0.757 -11.682 1.00 0.00 C ATOM 580 CD1 LEU A 167 5.228 -0.605 -11.057 1.00 0.00 C ATOM 581 CD2 LEU A 167 4.649 0.582 -13.185 1.00 0.00 C ATOM 0 H LEU A 167 4.964 2.872 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 167 4.171 3.171 -12.156 1.00 0.00 H new ATOM 0 HB2 LEU A 167 3.691 1.165 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 167 2.778 1.057 -11.431 1.00 0.00 H new ATOM 0 HG LEU A 167 5.763 1.414 -11.537 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.083 -1.047 -11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.465 -0.474 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 167 4.365 -1.264 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 167 5.513 0.106 -13.649 1.00 0.00 H new ATOM 0 HD22 LEU A 167 3.768 -0.042 -13.333 1.00 0.00 H new ATOM 0 HD23 LEU A 167 4.484 1.558 -13.642 1.00 0.00 H new ATOM 593 N THR A 168 2.053 4.319 -12.146 1.00 0.00 N ATOM 594 CA THR A 168 0.759 4.949 -12.305 1.00 0.00 C ATOM 595 C THR A 168 -0.222 3.860 -12.742 1.00 0.00 C ATOM 596 O THR A 168 -0.520 3.735 -13.929 1.00 0.00 O ATOM 597 CB THR A 168 0.897 6.051 -13.361 1.00 0.00 C ATOM 598 OG1 THR A 168 1.503 5.498 -14.513 1.00 0.00 O ATOM 599 CG2 THR A 168 1.771 7.197 -12.844 1.00 0.00 C ATOM 0 H THR A 168 2.676 4.478 -12.938 1.00 0.00 H new ATOM 0 HA THR A 168 0.395 5.405 -11.384 1.00 0.00 H new ATOM 0 HB THR A 168 -0.093 6.445 -13.592 1.00 0.00 H new ATOM 0 HG1 THR A 168 1.061 4.654 -14.742 1.00 0.00 H new ATOM 0 HG21 THR A 168 1.854 7.966 -13.612 1.00 0.00 H new ATOM 0 HG22 THR A 168 1.319 7.624 -11.949 1.00 0.00 H new ATOM 0 HG23 THR A 168 2.764 6.817 -12.603 1.00 0.00 H new ATOM 607 N TYR A 169 -0.677 3.048 -11.788 1.00 0.00 N ATOM 608 CA TYR A 169 -1.572 1.933 -12.067 1.00 0.00 C ATOM 609 C TYR A 169 -3.000 2.425 -12.319 1.00 0.00 C ATOM 610 O TYR A 169 -3.301 3.617 -12.285 1.00 0.00 O ATOM 611 CB TYR A 169 -1.587 0.979 -10.866 1.00 0.00 C ATOM 612 CG TYR A 169 -0.244 0.531 -10.332 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.445 -0.521 -10.967 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.146 0.938 -9.043 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.501 -1.174 -10.306 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.151 0.237 -8.362 1.00 0.00 C ATOM 617 CZ TYR A 169 1.857 -0.792 -9.003 1.00 0.00 C ATOM 618 OH TYR A 169 2.838 -1.462 -8.336 1.00 0.00 O ATOM 0 H TYR A 169 -0.434 3.147 -10.802 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.211 1.421 -12.959 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -2.130 1.463 -10.055 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -2.155 0.091 -11.145 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.162 -0.827 -11.963 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.328 1.790 -8.579 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.038 -1.970 -10.801 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.383 0.491 -7.338 1.00 0.00 H new ATOM 0 HH TYR A 169 3.024 -1.009 -7.487 1.00 0.00 H new ATOM 628 N THR A 170 -3.906 1.473 -12.538 1.00 0.00 N ATOM 629 CA THR A 170 -5.332 1.696 -12.715 1.00 0.00 C ATOM 630 C THR A 170 -6.032 0.435 -12.196 1.00 0.00 C ATOM 631 O THR A 170 -5.393 -0.613 -12.079 1.00 0.00 O ATOM 632 CB THR A 170 -5.625 2.010 -14.191 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.795 3.071 -14.622 1.00 0.00 O ATOM 634 CG2 THR A 170 -7.078 2.429 -14.434 1.00 0.00 C ATOM 0 H THR A 170 -3.652 0.487 -12.599 1.00 0.00 H new ATOM 0 HA THR A 170 -5.704 2.556 -12.158 1.00 0.00 H new ATOM 0 HB THR A 170 -5.433 1.092 -14.747 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.981 3.270 -15.563 1.00 0.00 H new ATOM 0 HG21 THR A 170 -7.224 2.638 -15.494 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.745 1.623 -14.127 1.00 0.00 H new ATOM 0 HG23 THR A 170 -7.300 3.325 -13.854 1.00 0.00 H new ATOM 642 N CYS A 171 -7.323 0.527 -11.868 1.00 0.00 N ATOM 643 CA CYS A 171 -8.141 -0.574 -11.385 1.00 0.00 C ATOM 644 C CYS A 171 -9.508 -0.454 -12.053 1.00 0.00 C ATOM 645 O CYS A 171 -9.860 0.608 -12.562 1.00 0.00 O ATOM 646 CB CYS A 171 -8.254 -0.520 -9.853 1.00 0.00 C ATOM 647 SG CYS A 171 -9.376 -1.718 -9.067 1.00 0.00 S ATOM 0 H CYS A 171 -7.840 1.404 -11.936 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.692 -1.535 -11.635 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.258 -0.663 -9.434 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.577 0.482 -9.572 1.00 0.00 H new ATOM 0 HG CYS A 171 -10.413 -1.094 -8.592 1.00 0.00 H new ATOM 652 N ARG A 172 -10.262 -1.554 -12.050 1.00 0.00 N ATOM 653 CA ARG A 172 -11.593 -1.663 -12.611 1.00 0.00 C ATOM 654 C ARG A 172 -12.532 -0.600 -12.024 1.00 0.00 C ATOM 655 O ARG A 172 -13.407 -0.092 -12.720 1.00 0.00 O ATOM 656 CB ARG A 172 -12.125 -3.077 -12.343 1.00 0.00 C ATOM 657 CG ARG A 172 -11.135 -4.205 -12.705 1.00 0.00 C ATOM 658 CD ARG A 172 -10.212 -4.668 -11.557 1.00 0.00 C ATOM 659 NE ARG A 172 -8.815 -4.218 -11.710 1.00 0.00 N ATOM 660 CZ ARG A 172 -7.835 -4.466 -10.824 1.00 0.00 C ATOM 661 NH1 ARG A 172 -8.096 -5.151 -9.706 1.00 0.00 N ATOM 662 NH2 ARG A 172 -6.591 -4.034 -11.061 1.00 0.00 N ATOM 0 H ARG A 172 -9.939 -2.428 -11.636 1.00 0.00 H new ATOM 0 HA ARG A 172 -11.548 -1.488 -13.686 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -12.384 -3.161 -11.288 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -13.045 -3.220 -12.910 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -11.703 -5.064 -13.061 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -10.514 -3.868 -13.535 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -10.605 -4.294 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -10.231 -5.756 -11.502 1.00 0.00 H new ATOM 0 HE ARG A 172 -8.577 -3.682 -12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -9.041 -5.487 -9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -7.350 -5.337 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -6.385 -3.516 -11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -5.849 -4.223 -10.388 1.00 0.00 H new ATOM 676 N ASP A 173 -12.335 -0.268 -10.745 1.00 0.00 N ATOM 677 CA ASP A 173 -13.079 0.739 -10.002 1.00 0.00 C ATOM 678 C ASP A 173 -12.104 1.824 -9.545 1.00 0.00 C ATOM 679 O ASP A 173 -10.893 1.603 -9.520 1.00 0.00 O ATOM 680 CB ASP A 173 -13.778 0.096 -8.801 1.00 0.00 C ATOM 681 CG ASP A 173 -14.837 -0.913 -9.231 1.00 0.00 C ATOM 682 OD1 ASP A 173 -15.989 -0.473 -9.430 1.00 0.00 O ATOM 683 OD2 ASP A 173 -14.471 -2.102 -9.354 1.00 0.00 O ATOM 0 H ASP A 173 -11.617 -0.719 -10.177 1.00 0.00 H new ATOM 0 HA ASP A 173 -13.846 1.184 -10.636 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -13.038 -0.400 -8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -14.242 0.872 -8.193 1.00 0.00 H new ATOM 688 N ASN A 174 -12.634 2.993 -9.179 1.00 0.00 N ATOM 689 CA ASN A 174 -11.830 4.129 -8.739 1.00 0.00 C ATOM 690 C ASN A 174 -11.397 3.947 -7.279 1.00 0.00 C ATOM 691 O ASN A 174 -11.609 2.892 -6.686 1.00 0.00 O ATOM 692 CB ASN A 174 -12.610 5.437 -8.956 1.00 0.00 C ATOM 693 CG ASN A 174 -12.929 5.668 -10.430 1.00 0.00 C ATOM 694 OD1 ASN A 174 -12.051 6.023 -11.207 1.00 0.00 O ATOM 695 ND2 ASN A 174 -14.184 5.476 -10.829 1.00 0.00 N ATOM 0 H ASN A 174 -13.637 3.176 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 174 -10.920 4.184 -9.337 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -13.537 5.407 -8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -12.027 6.275 -8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -14.437 5.625 -11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -14.893 5.180 -10.158 1.00 0.00 H new ATOM 702 N LYS A 175 -10.797 4.983 -6.682 1.00 0.00 N ATOM 703 CA LYS A 175 -10.300 4.998 -5.306 1.00 0.00 C ATOM 704 C LYS A 175 -11.312 4.493 -4.258 1.00 0.00 C ATOM 705 O LYS A 175 -10.908 4.110 -3.163 1.00 0.00 O ATOM 706 CB LYS A 175 -9.800 6.417 -4.986 1.00 0.00 C ATOM 707 CG LYS A 175 -9.210 6.534 -3.574 1.00 0.00 C ATOM 708 CD LYS A 175 -8.533 7.895 -3.365 1.00 0.00 C ATOM 709 CE LYS A 175 -8.214 8.127 -1.881 1.00 0.00 C ATOM 710 NZ LYS A 175 -7.388 7.048 -1.306 1.00 0.00 N ATOM 0 H LYS A 175 -10.639 5.867 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 175 -9.480 4.283 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -9.043 6.704 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -10.626 7.121 -5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -10.000 6.401 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -8.485 5.736 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -7.615 7.942 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -9.184 8.689 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -7.693 9.078 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -9.145 8.205 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -7.299 7.188 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -7.838 6.129 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -6.443 7.065 -1.740 1.00 0.00 H new ATOM 724 N ASP A 176 -12.608 4.461 -4.575 1.00 0.00 N ATOM 725 CA ASP A 176 -13.652 3.990 -3.670 1.00 0.00 C ATOM 726 C ASP A 176 -13.666 2.460 -3.545 1.00 0.00 C ATOM 727 O ASP A 176 -14.314 1.934 -2.644 1.00 0.00 O ATOM 728 CB ASP A 176 -15.015 4.468 -4.191 1.00 0.00 C ATOM 729 CG ASP A 176 -15.374 3.803 -5.519 1.00 0.00 C ATOM 730 OD1 ASP A 176 -14.681 4.120 -6.512 1.00 0.00 O ATOM 731 OD2 ASP A 176 -16.317 2.984 -5.517 1.00 0.00 O ATOM 0 H ASP A 176 -12.964 4.766 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 176 -13.447 4.399 -2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -15.786 4.247 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -14.997 5.550 -4.318 1.00 0.00 H new ATOM 736 N CYS A 177 -12.975 1.750 -4.442 1.00 0.00 N ATOM 737 CA CYS A 177 -12.882 0.296 -4.466 1.00 0.00 C ATOM 738 C CYS A 177 -12.560 -0.270 -3.075 1.00 0.00 C ATOM 739 O CYS A 177 -11.489 -0.008 -2.529 1.00 0.00 O ATOM 740 CB CYS A 177 -11.765 -0.074 -5.440 1.00 0.00 C ATOM 741 SG CYS A 177 -11.616 -1.803 -5.932 1.00 0.00 S ATOM 0 H CYS A 177 -12.448 2.192 -5.196 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.838 -0.126 -4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -11.898 0.521 -6.344 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -10.818 0.230 -4.994 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.366 -2.158 -5.896 1.00 0.00 H new ATOM 746 N LEU A 178 -13.473 -1.054 -2.500 1.00 0.00 N ATOM 747 CA LEU A 178 -13.267 -1.656 -1.191 1.00 0.00 C ATOM 748 C LEU A 178 -12.126 -2.675 -1.271 1.00 0.00 C ATOM 749 O LEU A 178 -12.272 -3.699 -1.937 1.00 0.00 O ATOM 750 CB LEU A 178 -14.572 -2.317 -0.722 1.00 0.00 C ATOM 751 CG LEU A 178 -14.443 -3.077 0.610 1.00 0.00 C ATOM 752 CD1 LEU A 178 -14.017 -2.157 1.761 1.00 0.00 C ATOM 753 CD2 LEU A 178 -15.789 -3.727 0.950 1.00 0.00 C ATOM 0 H LEU A 178 -14.369 -1.286 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 178 -12.991 -0.891 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -15.339 -1.550 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -14.914 -3.009 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 178 -13.669 -3.835 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -13.939 -2.737 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -13.050 -1.710 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -14.759 -1.369 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -15.704 -4.267 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -16.553 -2.955 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -16.068 -4.422 0.158 1.00 0.00 H new ATOM 765 N ILE A 179 -11.008 -2.412 -0.589 1.00 0.00 N ATOM 766 CA ILE A 179 -9.874 -3.325 -0.549 1.00 0.00 C ATOM 767 C ILE A 179 -10.172 -4.437 0.460 1.00 0.00 C ATOM 768 O ILE A 179 -9.890 -4.301 1.650 1.00 0.00 O ATOM 769 CB ILE A 179 -8.565 -2.578 -0.228 1.00 0.00 C ATOM 770 CG1 ILE A 179 -8.240 -1.482 -1.259 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.387 -3.567 -0.153 1.00 0.00 C ATOM 772 CD1 ILE A 179 -8.158 -2.012 -2.687 1.00 0.00 C ATOM 0 H ILE A 179 -10.868 -1.557 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.729 -3.775 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 179 -8.712 -2.095 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -9.004 -0.706 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -7.292 -1.014 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.470 -3.024 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.578 -4.301 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.279 -4.077 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -7.926 -1.192 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.375 -2.768 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -9.114 -2.455 -2.966 1.00 0.00 H new ATOM 784 N ASP A 180 -10.753 -5.539 -0.016 1.00 0.00 N ATOM 785 CA ASP A 180 -11.050 -6.688 0.829 1.00 0.00 C ATOM 786 C ASP A 180 -9.749 -7.333 1.315 1.00 0.00 C ATOM 787 O ASP A 180 -8.695 -7.173 0.701 1.00 0.00 O ATOM 788 CB ASP A 180 -11.879 -7.735 0.071 1.00 0.00 C ATOM 789 CG ASP A 180 -13.190 -7.183 -0.474 1.00 0.00 C ATOM 790 OD1 ASP A 180 -13.987 -6.682 0.347 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.364 -7.286 -1.707 1.00 0.00 O ATOM 0 H ASP A 180 -11.028 -5.657 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 180 -11.629 -6.334 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -11.287 -8.129 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.093 -8.571 0.737 1.00 0.00 H new ATOM 921 N CYS A 187 -5.087 -5.140 -7.231 1.00 0.00 N ATOM 922 CA CYS A 187 -5.851 -3.904 -7.061 1.00 0.00 C ATOM 923 C CYS A 187 -4.865 -2.780 -6.687 1.00 0.00 C ATOM 924 O CYS A 187 -5.004 -2.064 -5.696 1.00 0.00 O ATOM 925 CB CYS A 187 -6.923 -4.159 -6.001 1.00 0.00 C ATOM 926 SG CYS A 187 -8.091 -2.806 -5.826 1.00 0.00 S ATOM 0 HA CYS A 187 -6.363 -3.591 -7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.467 -5.068 -6.257 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.439 -4.337 -5.041 1.00 0.00 H new ATOM 0 HG CYS A 187 -8.521 -2.449 -7.000 1.00 0.00 H new ATOM 931 N GLN A 188 -3.824 -2.688 -7.511 1.00 0.00 N ATOM 932 CA GLN A 188 -2.647 -1.856 -7.363 1.00 0.00 C ATOM 933 C GLN A 188 -2.981 -0.381 -7.130 1.00 0.00 C ATOM 934 O GLN A 188 -2.599 0.181 -6.106 1.00 0.00 O ATOM 935 CB GLN A 188 -1.768 -2.082 -8.600 1.00 0.00 C ATOM 936 CG GLN A 188 -1.242 -3.524 -8.688 1.00 0.00 C ATOM 937 CD GLN A 188 -1.055 -3.998 -10.127 1.00 0.00 C ATOM 938 OE1 GLN A 188 0.062 -4.162 -10.603 1.00 0.00 O ATOM 939 NE2 GLN A 188 -2.153 -4.273 -10.825 1.00 0.00 N ATOM 0 H GLN A 188 -3.785 -3.241 -8.367 1.00 0.00 H new ATOM 0 HA GLN A 188 -2.103 -2.144 -6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -2.342 -1.852 -9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.925 -1.391 -8.575 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -0.290 -3.592 -8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -1.937 -4.191 -8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 188 -3.072 -4.128 -10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 188 -2.076 -4.629 -11.778 1.00 0.00 H new ATOM 948 N TYR A 189 -3.681 0.247 -8.078 1.00 0.00 N ATOM 949 CA TYR A 189 -4.047 1.658 -8.000 1.00 0.00 C ATOM 950 C TYR A 189 -4.658 2.003 -6.646 1.00 0.00 C ATOM 951 O TYR A 189 -4.141 2.843 -5.917 1.00 0.00 O ATOM 952 CB TYR A 189 -5.021 1.990 -9.135 1.00 0.00 C ATOM 953 CG TYR A 189 -5.691 3.347 -9.036 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.915 4.519 -8.964 1.00 0.00 C ATOM 955 CD2 TYR A 189 -7.093 3.435 -8.954 1.00 0.00 C ATOM 956 CE1 TYR A 189 -5.538 5.768 -8.789 1.00 0.00 C ATOM 957 CE2 TYR A 189 -7.712 4.682 -8.767 1.00 0.00 C ATOM 958 CZ TYR A 189 -6.936 5.845 -8.662 1.00 0.00 C ATOM 959 OH TYR A 189 -7.538 7.009 -8.287 1.00 0.00 O ATOM 0 H TYR A 189 -4.011 -0.215 -8.926 1.00 0.00 H new ATOM 0 HA TYR A 189 -3.144 2.260 -8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.483 1.937 -10.081 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.794 1.222 -9.165 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.840 4.459 -9.043 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.695 2.542 -9.035 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -4.942 6.668 -8.752 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -8.788 4.745 -8.704 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.934 7.517 -7.706 1.00 0.00 H new ATOM 969 N CYS A 190 -5.769 1.351 -6.321 1.00 0.00 N ATOM 970 CA CYS A 190 -6.495 1.574 -5.085 1.00 0.00 C ATOM 971 C CYS A 190 -5.581 1.376 -3.875 1.00 0.00 C ATOM 972 O CYS A 190 -5.538 2.237 -3.000 1.00 0.00 O ATOM 973 CB CYS A 190 -7.681 0.621 -5.073 1.00 0.00 C ATOM 974 SG CYS A 190 -8.815 0.835 -6.470 1.00 0.00 S ATOM 0 H CYS A 190 -6.193 0.643 -6.921 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.855 2.601 -5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.310 -0.404 -5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.235 0.759 -4.145 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.812 -0.240 -7.200 1.00 0.00 H new ATOM 979 N ARG A 191 -4.831 0.270 -3.817 1.00 0.00 N ATOM 980 CA ARG A 191 -3.914 0.030 -2.706 1.00 0.00 C ATOM 981 C ARG A 191 -2.906 1.182 -2.567 1.00 0.00 C ATOM 982 O ARG A 191 -2.674 1.679 -1.464 1.00 0.00 O ATOM 983 CB ARG A 191 -3.212 -1.321 -2.891 1.00 0.00 C ATOM 984 CG ARG A 191 -4.180 -2.484 -2.633 1.00 0.00 C ATOM 985 CD ARG A 191 -3.623 -3.798 -3.185 1.00 0.00 C ATOM 986 NE ARG A 191 -2.275 -4.085 -2.676 1.00 0.00 N ATOM 987 CZ ARG A 191 -1.983 -4.755 -1.553 1.00 0.00 C ATOM 988 NH1 ARG A 191 -2.940 -5.291 -0.785 1.00 0.00 N ATOM 989 NH2 ARG A 191 -0.702 -4.885 -1.206 1.00 0.00 N ATOM 0 H ARG A 191 -4.843 -0.466 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.484 -0.009 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.814 -1.392 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.364 -1.391 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.358 -2.582 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -5.142 -2.270 -3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -4.292 -4.616 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -3.596 -3.751 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 191 -1.489 -3.743 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -3.920 -5.194 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -2.689 -5.796 0.065 1.00 0.00 H new ATOM 0 HH21 ARG A 191 0.029 -4.479 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -0.453 -5.390 -0.356 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.314 1.623 -3.682 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.362 2.728 -3.687 1.00 0.00 C ATOM 1005 C TYR A 192 -2.048 3.998 -3.173 1.00 0.00 C ATOM 1006 O TYR A 192 -1.526 4.676 -2.290 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.777 2.900 -5.098 1.00 0.00 C ATOM 1008 CG TYR A 192 0.300 3.960 -5.296 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.303 4.176 -4.326 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.430 4.560 -6.565 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.399 5.010 -4.617 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.545 5.361 -6.865 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.533 5.583 -5.894 1.00 0.00 C ATOM 1014 OH TYR A 192 3.647 6.315 -6.189 1.00 0.00 O ATOM 0 H TYR A 192 -2.484 1.221 -4.604 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.529 2.516 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.364 1.940 -5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.599 3.127 -5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.229 3.701 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.333 4.403 -7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.139 5.210 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.641 5.806 -7.844 1.00 0.00 H new ATOM 0 HH TYR A 192 3.696 6.460 -7.157 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.235 4.308 -3.700 1.00 0.00 N ATOM 1025 CA GLN A 193 -4.026 5.448 -3.270 1.00 0.00 C ATOM 1026 C GLN A 193 -4.290 5.386 -1.766 1.00 0.00 C ATOM 1027 O GLN A 193 -4.139 6.398 -1.087 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.335 5.495 -4.065 1.00 0.00 C ATOM 1029 CG GLN A 193 -5.142 5.802 -5.554 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.987 7.291 -5.846 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -5.928 7.939 -6.293 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -3.797 7.844 -5.634 1.00 0.00 N ATOM 0 H GLN A 193 -3.672 3.765 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.469 6.365 -3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.845 4.537 -3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.987 6.251 -3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -4.260 5.274 -5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -5.995 5.416 -6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -3.032 7.281 -5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -3.649 8.831 -5.844 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.667 4.220 -1.231 1.00 0.00 N ATOM 1042 CA LYS A 194 -4.879 4.049 0.200 1.00 0.00 C ATOM 1043 C LYS A 194 -3.586 4.398 0.945 1.00 0.00 C ATOM 1044 O LYS A 194 -3.585 5.241 1.841 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.307 2.604 0.522 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.822 2.421 0.673 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.583 2.392 -0.652 1.00 0.00 C ATOM 1048 CE LYS A 194 -9.072 2.246 -0.326 1.00 0.00 C ATOM 1049 NZ LYS A 194 -9.890 2.104 -1.541 1.00 0.00 N ATOM 0 H LYS A 194 -4.832 3.376 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.679 4.715 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.949 1.945 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.820 2.289 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -7.013 1.492 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.215 3.231 1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.402 3.306 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -7.243 1.562 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -9.220 1.376 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -9.407 3.117 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -10.624 1.384 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -10.340 3.014 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -9.285 1.813 -2.335 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.482 3.747 0.568 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.182 3.969 1.186 1.00 0.00 C ATOM 1065 C ALA A 195 -0.836 5.463 1.227 1.00 0.00 C ATOM 1066 O ALA A 195 -0.460 5.997 2.272 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.118 3.170 0.430 1.00 0.00 C ATOM 0 H ALA A 195 -2.470 3.050 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.215 3.622 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.856 3.334 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.364 2.109 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.088 3.497 -0.609 1.00 0.00 H new ATOM 1073 N LEU A 196 -0.976 6.140 0.085 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.702 7.560 -0.015 1.00 0.00 C ATOM 1075 C LEU A 196 -1.644 8.359 0.882 1.00 0.00 C ATOM 1076 O LEU A 196 -1.194 9.195 1.661 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.809 8.004 -1.481 1.00 0.00 C ATOM 1078 CG LEU A 196 0.292 7.430 -2.390 1.00 0.00 C ATOM 1079 CD1 LEU A 196 -0.092 7.690 -3.851 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.662 8.060 -2.105 1.00 0.00 C ATOM 0 H LEU A 196 -1.282 5.713 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 196 0.313 7.754 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.781 7.703 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.771 9.092 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 196 0.374 6.361 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.680 7.288 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.043 7.204 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.187 8.763 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.408 7.625 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.610 9.136 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.943 7.868 -1.069 1.00 0.00 H new ATOM 1092 N ALA A 197 -2.948 8.100 0.785 1.00 0.00 N ATOM 1093 CA ALA A 197 -3.970 8.786 1.565 1.00 0.00 C ATOM 1094 C ALA A 197 -3.671 8.722 3.061 1.00 0.00 C ATOM 1095 O ALA A 197 -3.738 9.745 3.740 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.352 8.218 1.246 1.00 0.00 C ATOM 0 H ALA A 197 -3.327 7.396 0.151 1.00 0.00 H new ATOM 0 HA ALA A 197 -3.961 9.839 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.105 8.740 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.565 8.352 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.374 7.156 1.489 1.00 0.00 H new ATOM 1102 N MET A 198 -3.327 7.540 3.582 1.00 0.00 N ATOM 1103 CA MET A 198 -2.997 7.396 4.994 1.00 0.00 C ATOM 1104 C MET A 198 -1.609 7.955 5.343 1.00 0.00 C ATOM 1105 O MET A 198 -1.221 7.939 6.508 1.00 0.00 O ATOM 1106 CB MET A 198 -3.222 5.950 5.462 1.00 0.00 C ATOM 1107 CG MET A 198 -4.713 5.726 5.767 1.00 0.00 C ATOM 1108 SD MET A 198 -5.847 5.533 4.369 1.00 0.00 S ATOM 1109 CE MET A 198 -5.553 3.794 3.993 1.00 0.00 C ATOM 0 H MET A 198 -3.271 6.675 3.045 1.00 0.00 H new ATOM 0 HA MET A 198 -3.687 8.019 5.563 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.890 5.253 4.692 1.00 0.00 H new ATOM 0 HB3 MET A 198 -2.625 5.749 6.352 1.00 0.00 H new ATOM 0 HG2 MET A 198 -4.796 4.835 6.390 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.061 6.567 6.366 1.00 0.00 H new ATOM 0 HE1 MET A 198 -6.315 3.438 3.300 1.00 0.00 H new ATOM 0 HE2 MET A 198 -4.568 3.681 3.539 1.00 0.00 H new ATOM 0 HE3 MET A 198 -5.598 3.210 4.912 1.00 0.00 H new ATOM 1119 N GLY A 199 -0.876 8.496 4.366 1.00 0.00 N ATOM 1120 CA GLY A 199 0.388 9.162 4.606 1.00 0.00 C ATOM 1121 C GLY A 199 1.536 8.190 4.814 1.00 0.00 C ATOM 1122 O GLY A 199 2.422 8.466 5.622 1.00 0.00 O ATOM 0 H GLY A 199 -1.152 8.479 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.617 9.812 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 199 0.296 9.801 5.484 1.00 0.00 H new ATOM 1126 N MET A 200 1.557 7.079 4.068 1.00 0.00 N ATOM 1127 CA MET A 200 2.695 6.172 4.140 1.00 0.00 C ATOM 1128 C MET A 200 3.944 6.966 3.744 1.00 0.00 C ATOM 1129 O MET A 200 3.983 7.578 2.673 1.00 0.00 O ATOM 1130 CB MET A 200 2.500 4.956 3.227 1.00 0.00 C ATOM 1131 CG MET A 200 1.581 3.899 3.846 1.00 0.00 C ATOM 1132 SD MET A 200 2.251 3.122 5.334 1.00 0.00 S ATOM 1133 CE MET A 200 1.093 1.760 5.552 1.00 0.00 C ATOM 0 H MET A 200 0.817 6.796 3.425 1.00 0.00 H new ATOM 0 HA MET A 200 2.799 5.782 5.153 1.00 0.00 H new ATOM 0 HB2 MET A 200 2.082 5.284 2.275 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.470 4.508 3.012 1.00 0.00 H new ATOM 0 HG2 MET A 200 0.625 4.362 4.089 1.00 0.00 H new ATOM 0 HG3 MET A 200 1.381 3.126 3.104 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.212 1.337 6.549 1.00 0.00 H new ATOM 0 HE2 MET A 200 0.073 2.127 5.433 1.00 0.00 H new ATOM 0 HE3 MET A 200 1.291 0.991 4.806 1.00 0.00 H new ATOM 1143 N LYS A 201 4.946 7.004 4.624 1.00 0.00 N ATOM 1144 CA LYS A 201 6.149 7.788 4.429 1.00 0.00 C ATOM 1145 C LYS A 201 6.992 7.255 3.276 1.00 0.00 C ATOM 1146 O LYS A 201 7.943 6.507 3.488 1.00 0.00 O ATOM 1147 CB LYS A 201 6.950 7.850 5.733 1.00 0.00 C ATOM 1148 CG LYS A 201 6.181 8.506 6.884 1.00 0.00 C ATOM 1149 CD LYS A 201 5.711 9.934 6.575 1.00 0.00 C ATOM 1150 CE LYS A 201 5.142 10.588 7.837 1.00 0.00 C ATOM 1151 NZ LYS A 201 4.646 11.947 7.559 1.00 0.00 N ATOM 0 H LYS A 201 4.937 6.482 5.500 1.00 0.00 H new ATOM 0 HA LYS A 201 5.856 8.802 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 201 7.235 6.839 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.873 8.404 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 201 5.314 7.892 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.816 8.525 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 201 6.544 10.525 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.952 9.914 5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 201 4.331 9.976 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 201 5.913 10.630 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 4.267 12.364 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 5.427 12.536 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 3.894 11.902 6.842 1.00 0.00 H new ATOM 1165 N ARG A 202 6.645 7.678 2.058 1.00 0.00 N ATOM 1166 CA ARG A 202 7.330 7.360 0.812 1.00 0.00 C ATOM 1167 C ARG A 202 8.850 7.367 0.997 1.00 0.00 C ATOM 1168 O ARG A 202 9.542 6.453 0.557 1.00 0.00 O ATOM 1169 CB ARG A 202 6.910 8.394 -0.246 1.00 0.00 C ATOM 1170 CG ARG A 202 7.346 7.955 -1.646 1.00 0.00 C ATOM 1171 CD ARG A 202 7.077 9.030 -2.701 1.00 0.00 C ATOM 1172 NE ARG A 202 7.280 8.482 -4.051 1.00 0.00 N ATOM 1173 CZ ARG A 202 6.356 7.830 -4.774 1.00 0.00 C ATOM 1174 NH1 ARG A 202 5.099 7.719 -4.338 1.00 0.00 N ATOM 1175 NH2 ARG A 202 6.692 7.269 -5.939 1.00 0.00 N ATOM 0 H ARG A 202 5.836 8.282 1.912 1.00 0.00 H new ATOM 0 HA ARG A 202 7.051 6.357 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.828 8.525 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 202 7.353 9.362 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 202 8.410 7.718 -1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.818 7.041 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 202 6.057 9.400 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 202 7.741 9.879 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 202 8.200 8.608 -4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 202 4.831 8.133 -3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 202 4.407 7.221 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 202 7.651 7.336 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 202 5.989 6.774 -6.488 1.00 0.00 H new ATOM 1189 N GLU A 203 9.365 8.390 1.682 1.00 0.00 N ATOM 1190 CA GLU A 203 10.779 8.574 1.948 1.00 0.00 C ATOM 1191 C GLU A 203 11.411 7.316 2.549 1.00 0.00 C ATOM 1192 O GLU A 203 12.511 6.923 2.168 1.00 0.00 O ATOM 1193 CB GLU A 203 10.957 9.768 2.901 1.00 0.00 C ATOM 1194 CG GLU A 203 10.351 11.082 2.373 1.00 0.00 C ATOM 1195 CD GLU A 203 8.933 11.374 2.874 1.00 0.00 C ATOM 1196 OE1 GLU A 203 8.180 10.400 3.102 1.00 0.00 O ATOM 1197 OE2 GLU A 203 8.621 12.575 3.015 1.00 0.00 O ATOM 0 H GLU A 203 8.786 9.132 2.076 1.00 0.00 H new ATOM 0 HA GLU A 203 11.287 8.770 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.498 9.527 3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 203 12.021 9.918 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 203 11.001 11.908 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 203 10.338 11.050 1.284 1.00 0.00 H new ATOM 1204 N ALA A 204 10.708 6.668 3.479 1.00 0.00 N ATOM 1205 CA ALA A 204 11.196 5.481 4.157 1.00 0.00 C ATOM 1206 C ALA A 204 11.506 4.333 3.193 1.00 0.00 C ATOM 1207 O ALA A 204 12.347 3.498 3.509 1.00 0.00 O ATOM 1208 CB ALA A 204 10.204 5.063 5.241 1.00 0.00 C ATOM 0 H ALA A 204 9.778 6.960 3.780 1.00 0.00 H new ATOM 0 HA ALA A 204 12.147 5.731 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.573 4.172 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.093 5.871 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.237 4.847 4.786 1.00 0.00 H new ATOM 1214 N VAL A 205 10.889 4.284 2.008 1.00 0.00 N ATOM 1215 CA VAL A 205 11.195 3.246 1.025 1.00 0.00 C ATOM 1216 C VAL A 205 12.680 3.297 0.645 1.00 0.00 C ATOM 1217 O VAL A 205 13.332 2.264 0.462 1.00 0.00 O ATOM 1218 CB VAL A 205 10.268 3.409 -0.190 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.759 2.631 -1.414 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.844 3.010 0.219 1.00 0.00 C ATOM 0 H VAL A 205 10.177 4.950 1.709 1.00 0.00 H new ATOM 0 HA VAL A 205 11.014 2.259 1.450 1.00 0.00 H new ATOM 0 HB VAL A 205 10.273 4.455 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 205 10.067 2.782 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.749 2.987 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.811 1.569 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.176 3.121 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.838 1.972 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.505 3.653 1.031 1.00 0.00 H new ATOM 1230 N GLN A 206 13.236 4.509 0.592 1.00 0.00 N ATOM 1231 CA GLN A 206 14.642 4.719 0.304 1.00 0.00 C ATOM 1232 C GLN A 206 15.530 4.356 1.504 1.00 0.00 C ATOM 1233 O GLN A 206 16.732 4.592 1.444 1.00 0.00 O ATOM 1234 CB GLN A 206 14.855 6.166 -0.174 1.00 0.00 C ATOM 1235 CG GLN A 206 14.390 6.366 -1.630 1.00 0.00 C ATOM 1236 CD GLN A 206 15.325 5.697 -2.640 1.00 0.00 C ATOM 1237 OE1 GLN A 206 14.882 4.982 -3.535 1.00 0.00 O ATOM 1238 NE2 GLN A 206 16.626 5.952 -2.518 1.00 0.00 N ATOM 0 H GLN A 206 12.715 5.371 0.749 1.00 0.00 H new ATOM 0 HA GLN A 206 14.946 4.048 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.309 6.848 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.911 6.424 -0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 206 13.385 5.961 -1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 206 14.330 7.433 -1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 206 16.960 6.550 -1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 206 17.289 5.549 -3.180 1.00 0.00 H new ATOM 1247 N GLU A 207 14.989 3.756 2.576 1.00 0.00 N ATOM 1248 CA GLU A 207 15.797 3.306 3.702 1.00 0.00 C ATOM 1249 C GLU A 207 16.382 1.951 3.306 1.00 0.00 C ATOM 1250 O GLU A 207 17.596 1.753 3.338 1.00 0.00 O ATOM 1251 CB GLU A 207 14.943 3.245 4.980 1.00 0.00 C ATOM 1252 CG GLU A 207 15.773 3.047 6.259 1.00 0.00 C ATOM 1253 CD GLU A 207 16.386 1.653 6.373 1.00 0.00 C ATOM 1254 OE1 GLU A 207 15.611 0.680 6.247 1.00 0.00 O ATOM 1255 OE2 GLU A 207 17.616 1.587 6.580 1.00 0.00 O ATOM 0 H GLU A 207 13.991 3.574 2.679 1.00 0.00 H new ATOM 0 HA GLU A 207 16.610 3.997 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.367 4.166 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 207 14.226 2.429 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 207 16.570 3.790 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 207 15.139 3.229 7.127 1.00 0.00 H new