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 174 ASN : amide:sc= 0.896 X(o=1.7,f=1.7) USER MOD Set 1.2: A 189 TYR OH : rot 30:sc= 0.776 USER MOD Set 2.1: A 171 CYS SG : rot 132:sc= 0.459 USER MOD Set 2.2: A 177 CYS SG : rot -43:sc= 0.168 USER MOD Set 2.3: A 187 CYS SG : rot 178:sc= 0.7 USER MOD Set 2.4: A 190 CYS SG : rot 112:sc= -0.724 USER MOD Set 3.1: A 162 THR OG1 : rot 77:sc= 2.22 USER MOD Set 3.2: A 169 TYR OH : rot 171:sc= 1.17 USER MOD Set 4.1: A 146 HIS : no HE2:sc= -1.11 K(o=-0.15,f=-2.6!) USER MOD Set 4.2: A 151 SER OG : rot -73:sc= 0.969 USER MOD Set 4.3: A 200 MET CE :methyl 176:sc=-0.00682 (180deg=-0.0541) USER MOD Set 5.1: A 147 TYR OH : rot 176:sc= 1 USER MOD Set 5.2: A 156 LYS NZ :NH3+ -172:sc= -0.0019 (180deg=-0.0985) USER MOD Set 6.1: A 135 CYS SG : rot 9:sc= 0.353 USER MOD Set 6.2: A 138 CYS SG : rot -31:sc= 0.328 USER MOD Set 6.3: A 152 CYS SG : rot -67:sc= 0.376 USER MOD Set 6.4: A 155 CYS SG : rot 156:sc= 0.591 USER MOD Set 7.1: A 133 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.018) USER MOD Set 7.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot -151:sc= 1.33 USER MOD Single : A 143 SER OG : rot -110:sc= 0.0319 USER MOD Single : A 145 LYS NZ :NH3+ 148:sc= 1.1 (180deg=0.193) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.058) USER MOD Single : A 168 THR OG1 : rot 57:sc= 0.514 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 GLN : amide:sc= 0.317 K(o=0.32,f=-6.1!) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 GLN : amide:sc= 0.861 K(o=0.86,f=-0.15) USER MOD Single : A 194 LYS NZ :NH3+ -149:sc= 0.489 (180deg=0.0374) USER MOD Single : A 198 MET CE :methyl -167:sc= -0.197 (180deg=-0.75) USER MOD Single : A 201 LYS NZ :NH3+ -135:sc= 0.162 (180deg=0) USER MOD Single : A 206 GLN : amide:sc= 0.725 K(o=0.73,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -4.820 -2.780 15.119 1.00 0.00 N ATOM 58 CA HIS A 133 -4.316 -2.100 13.935 1.00 0.00 C ATOM 59 C HIS A 133 -4.076 -3.067 12.775 1.00 0.00 C ATOM 60 O HIS A 133 -2.927 -3.294 12.394 1.00 0.00 O ATOM 61 CB HIS A 133 -3.025 -1.334 14.241 1.00 0.00 C ATOM 62 CG HIS A 133 -3.069 -0.389 15.406 1.00 0.00 C ATOM 63 ND1 HIS A 133 -2.369 -0.549 16.578 1.00 0.00 N ATOM 64 CD2 HIS A 133 -3.573 0.883 15.393 1.00 0.00 C ATOM 65 CE1 HIS A 133 -2.498 0.586 17.285 1.00 0.00 C ATOM 66 NE2 HIS A 133 -3.220 1.490 16.602 1.00 0.00 N ATOM 0 HA HIS A 133 -5.088 -1.392 13.634 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -2.232 -2.060 14.420 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -2.745 -0.768 13.353 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -4.141 1.336 14.594 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -2.079 0.749 18.267 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -3.463 2.433 16.906 1.00 0.00 H new ATOM 74 N ILE A 134 -5.138 -3.620 12.191 1.00 0.00 N ATOM 75 CA ILE A 134 -4.995 -4.470 11.016 1.00 0.00 C ATOM 76 C ILE A 134 -4.278 -3.708 9.900 1.00 0.00 C ATOM 77 O ILE A 134 -4.217 -2.478 9.910 1.00 0.00 O ATOM 78 CB ILE A 134 -6.342 -5.026 10.518 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.570 -4.114 10.690 1.00 0.00 C ATOM 80 CG2 ILE A 134 -6.592 -6.367 11.201 1.00 0.00 C ATOM 81 CD1 ILE A 134 -7.424 -2.762 9.987 1.00 0.00 C ATOM 0 H ILE A 134 -6.098 -3.495 12.511 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.393 -5.330 11.310 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.236 -5.117 9.437 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.451 -4.625 10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -7.743 -3.946 11.753 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -7.543 -6.777 10.861 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -5.788 -7.059 10.950 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.624 -6.225 12.281 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -8.324 -2.169 10.148 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -6.563 -2.232 10.393 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -7.281 -2.921 8.918 1.00 0.00 H new ATOM 93 N CYS A 135 -3.725 -4.441 8.935 1.00 0.00 N ATOM 94 CA CYS A 135 -3.016 -3.837 7.828 1.00 0.00 C ATOM 95 C CYS A 135 -3.908 -2.819 7.125 1.00 0.00 C ATOM 96 O CYS A 135 -4.908 -3.203 6.524 1.00 0.00 O ATOM 97 CB CYS A 135 -2.549 -4.900 6.836 1.00 0.00 C ATOM 98 SG CYS A 135 -1.664 -4.176 5.437 1.00 0.00 S ATOM 0 H CYS A 135 -3.760 -5.460 8.905 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.137 -3.327 8.223 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -1.901 -5.612 7.346 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -3.411 -5.459 6.470 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.448 -2.915 5.666 1.00 0.00 H new ATOM 103 N ALA A 136 -3.535 -1.540 7.190 1.00 0.00 N ATOM 104 CA ALA A 136 -4.272 -0.432 6.598 1.00 0.00 C ATOM 105 C ALA A 136 -4.812 -0.739 5.199 1.00 0.00 C ATOM 106 O ALA A 136 -5.936 -0.375 4.868 1.00 0.00 O ATOM 107 CB ALA A 136 -3.354 0.793 6.563 1.00 0.00 C ATOM 0 H ALA A 136 -2.686 -1.242 7.671 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.150 -0.244 7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.888 1.635 6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.048 1.048 7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.471 0.569 5.964 1.00 0.00 H new ATOM 113 N ILE A 137 -3.986 -1.378 4.370 1.00 0.00 N ATOM 114 CA ILE A 137 -4.307 -1.671 2.982 1.00 0.00 C ATOM 115 C ILE A 137 -5.214 -2.901 2.833 1.00 0.00 C ATOM 116 O ILE A 137 -6.333 -2.775 2.345 1.00 0.00 O ATOM 117 CB ILE A 137 -2.999 -1.791 2.179 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.206 -0.470 2.226 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.273 -2.146 0.712 1.00 0.00 C ATOM 120 CD1 ILE A 137 -0.710 -0.729 2.060 1.00 0.00 C ATOM 0 H ILE A 137 -3.064 -1.709 4.652 1.00 0.00 H new ATOM 0 HA ILE A 137 -4.891 -0.846 2.573 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.416 -2.589 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.554 0.196 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.389 0.036 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.328 -2.223 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -3.799 -3.099 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -3.887 -1.368 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.171 0.218 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.361 -1.376 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.529 -1.213 1.100 1.00 0.00 H new ATOM 132 N CYS A 138 -4.721 -4.100 3.177 1.00 0.00 N ATOM 133 CA CYS A 138 -5.445 -5.350 2.928 1.00 0.00 C ATOM 134 C CYS A 138 -6.278 -5.894 4.095 1.00 0.00 C ATOM 135 O CYS A 138 -7.037 -6.841 3.891 1.00 0.00 O ATOM 136 CB CYS A 138 -4.501 -6.399 2.333 1.00 0.00 C ATOM 137 SG CYS A 138 -3.046 -6.873 3.302 1.00 0.00 S ATOM 0 H CYS A 138 -3.817 -4.228 3.632 1.00 0.00 H new ATOM 0 HA CYS A 138 -6.211 -5.097 2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -5.082 -7.300 2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -4.155 -6.029 1.368 1.00 0.00 H new ATOM 0 HG CYS A 138 -2.646 -5.858 4.008 1.00 0.00 H new ATOM 142 N GLY A 139 -6.172 -5.322 5.298 1.00 0.00 N ATOM 143 CA GLY A 139 -6.965 -5.730 6.451 1.00 0.00 C ATOM 144 C GLY A 139 -6.468 -7.007 7.128 1.00 0.00 C ATOM 145 O GLY A 139 -7.114 -7.493 8.053 1.00 0.00 O ATOM 0 H GLY A 139 -5.527 -4.557 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -6.967 -4.921 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -7.998 -5.877 6.135 1.00 0.00 H new ATOM 149 N ASP A 140 -5.333 -7.559 6.695 1.00 0.00 N ATOM 150 CA ASP A 140 -4.771 -8.769 7.274 1.00 0.00 C ATOM 151 C ASP A 140 -3.949 -8.418 8.514 1.00 0.00 C ATOM 152 O ASP A 140 -3.782 -7.245 8.844 1.00 0.00 O ATOM 153 CB ASP A 140 -3.901 -9.466 6.223 1.00 0.00 C ATOM 154 CG ASP A 140 -4.742 -9.965 5.058 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.243 -11.105 5.157 1.00 0.00 O ATOM 156 OD2 ASP A 140 -4.885 -9.188 4.091 1.00 0.00 O ATOM 0 H ASP A 140 -4.780 -7.174 5.930 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.571 -9.444 7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.142 -8.774 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.374 -10.304 6.680 1.00 0.00 H new ATOM 161 N ARG A 141 -3.407 -9.439 9.183 1.00 0.00 N ATOM 162 CA ARG A 141 -2.550 -9.242 10.340 1.00 0.00 C ATOM 163 C ARG A 141 -1.335 -8.422 9.902 1.00 0.00 C ATOM 164 O ARG A 141 -0.600 -8.833 9.004 1.00 0.00 O ATOM 165 CB ARG A 141 -2.128 -10.607 10.911 1.00 0.00 C ATOM 166 CG ARG A 141 -1.365 -10.508 12.242 1.00 0.00 C ATOM 167 CD ARG A 141 -2.277 -10.565 13.474 1.00 0.00 C ATOM 168 NE ARG A 141 -3.265 -9.478 13.487 1.00 0.00 N ATOM 169 CZ ARG A 141 -4.578 -9.569 13.230 1.00 0.00 C ATOM 170 NH1 ARG A 141 -5.149 -10.726 12.878 1.00 0.00 N ATOM 171 NH2 ARG A 141 -5.315 -8.461 13.325 1.00 0.00 N ATOM 0 H ARG A 141 -3.553 -10.418 8.935 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.079 -8.704 11.126 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.017 -11.221 11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.502 -11.119 10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.640 -11.320 12.298 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.801 -9.576 12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.795 -11.524 13.496 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.668 -10.511 14.377 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.912 -8.549 13.718 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -4.583 -11.571 12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -6.151 -10.764 12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -4.877 -7.578 13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -6.317 -8.497 13.136 1.00 0.00 H new ATOM 185 N SER A 142 -1.130 -7.259 10.516 1.00 0.00 N ATOM 186 CA SER A 142 -0.016 -6.386 10.212 1.00 0.00 C ATOM 187 C SER A 142 1.277 -6.963 10.793 1.00 0.00 C ATOM 188 O SER A 142 1.252 -7.769 11.722 1.00 0.00 O ATOM 189 CB SER A 142 -0.340 -5.006 10.787 1.00 0.00 C ATOM 190 OG SER A 142 -0.988 -5.177 12.034 1.00 0.00 O ATOM 0 H SER A 142 -1.744 -6.899 11.246 1.00 0.00 H new ATOM 0 HA SER A 142 0.136 -6.299 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.573 -4.424 10.912 1.00 0.00 H new ATOM 0 HB3 SER A 142 -0.980 -4.451 10.101 1.00 0.00 H new ATOM 0 HG SER A 142 -1.587 -4.419 12.198 1.00 0.00 H new ATOM 196 N SER A 143 2.410 -6.525 10.246 1.00 0.00 N ATOM 197 CA SER A 143 3.746 -6.891 10.680 1.00 0.00 C ATOM 198 C SER A 143 4.342 -5.724 11.474 1.00 0.00 C ATOM 199 O SER A 143 5.030 -5.953 12.464 1.00 0.00 O ATOM 200 CB SER A 143 4.620 -7.267 9.479 1.00 0.00 C ATOM 201 OG SER A 143 3.958 -8.181 8.617 1.00 0.00 O ATOM 0 H SER A 143 2.416 -5.879 9.456 1.00 0.00 H new ATOM 0 HA SER A 143 3.701 -7.769 11.325 1.00 0.00 H new ATOM 0 HB2 SER A 143 4.883 -6.367 8.923 1.00 0.00 H new ATOM 0 HB3 SER A 143 5.553 -7.708 9.831 1.00 0.00 H new ATOM 0 HG SER A 143 4.391 -9.058 8.676 1.00 0.00 H new ATOM 207 N GLY A 144 4.085 -4.474 11.063 1.00 0.00 N ATOM 208 CA GLY A 144 4.599 -3.324 11.790 1.00 0.00 C ATOM 209 C GLY A 144 4.092 -2.002 11.221 1.00 0.00 C ATOM 210 O GLY A 144 3.434 -1.963 10.181 1.00 0.00 O ATOM 0 H GLY A 144 3.530 -4.244 10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.309 -3.401 12.838 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.689 -3.336 11.759 1.00 0.00 H new ATOM 214 N LYS A 145 4.411 -0.903 11.912 1.00 0.00 N ATOM 215 CA LYS A 145 4.036 0.448 11.520 1.00 0.00 C ATOM 216 C LYS A 145 4.989 0.920 10.417 1.00 0.00 C ATOM 217 O LYS A 145 5.786 1.841 10.602 1.00 0.00 O ATOM 218 CB LYS A 145 4.012 1.333 12.775 1.00 0.00 C ATOM 219 CG LYS A 145 3.311 2.675 12.532 1.00 0.00 C ATOM 220 CD LYS A 145 3.097 3.399 13.869 1.00 0.00 C ATOM 221 CE LYS A 145 2.419 4.765 13.704 1.00 0.00 C ATOM 222 NZ LYS A 145 1.127 4.672 13.004 1.00 0.00 N ATOM 0 H LYS A 145 4.949 -0.935 12.778 1.00 0.00 H new ATOM 0 HA LYS A 145 3.034 0.499 11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 145 3.505 0.802 13.581 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.034 1.515 13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 145 3.911 3.294 11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 145 2.353 2.511 12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.489 2.773 14.522 1.00 0.00 H new ATOM 0 HD3 LYS A 145 4.060 3.534 14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 145 2.265 5.212 14.686 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.081 5.431 13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 0.485 5.408 13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 1.275 4.807 11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 0.708 3.735 13.172 1.00 0.00 H new ATOM 236 N HIS A 146 4.915 0.267 9.258 1.00 0.00 N ATOM 237 CA HIS A 146 5.824 0.537 8.158 1.00 0.00 C ATOM 238 C HIS A 146 5.467 1.863 7.502 1.00 0.00 C ATOM 239 O HIS A 146 4.300 2.152 7.242 1.00 0.00 O ATOM 240 CB HIS A 146 5.773 -0.593 7.129 1.00 0.00 C ATOM 241 CG HIS A 146 5.863 -1.970 7.733 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.769 -2.379 8.685 1.00 0.00 N ATOM 243 CD2 HIS A 146 5.068 -3.040 7.424 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.534 -3.680 8.927 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.513 -4.126 8.179 1.00 0.00 N ATOM 0 H HIS A 146 4.226 -0.459 9.061 1.00 0.00 H new ATOM 0 HA HIS A 146 6.839 0.598 8.551 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.845 -0.515 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 146 6.591 -0.463 6.420 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.486 -1.802 9.125 1.00 0.00 H new ATOM 0 HD2 HIS A 146 4.246 -3.043 6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 146 7.091 -4.284 9.628 1.00 0.00 H new ATOM 253 N TYR A 147 6.489 2.690 7.278 1.00 0.00 N ATOM 254 CA TYR A 147 6.341 4.017 6.702 1.00 0.00 C ATOM 255 C TYR A 147 5.308 4.838 7.488 1.00 0.00 C ATOM 256 O TYR A 147 4.626 5.684 6.914 1.00 0.00 O ATOM 257 CB TYR A 147 5.989 3.914 5.209 1.00 0.00 C ATOM 258 CG TYR A 147 6.707 2.820 4.436 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.112 2.723 4.445 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.954 1.871 3.724 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.759 1.737 3.679 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.602 0.869 2.986 1.00 0.00 C ATOM 263 CZ TYR A 147 8.002 0.825 2.928 1.00 0.00 C ATOM 264 OH TYR A 147 8.621 -0.142 2.196 1.00 0.00 O ATOM 0 H TYR A 147 7.455 2.448 7.497 1.00 0.00 H new ATOM 0 HA TYR A 147 7.291 4.546 6.777 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.915 3.752 5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.208 4.871 4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.695 3.408 5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.875 1.913 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.838 1.682 3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 147 6.019 0.128 2.460 1.00 0.00 H new ATOM 0 HH TYR A 147 7.947 -0.726 1.790 1.00 0.00 H new ATOM 274 N GLY A 148 5.192 4.586 8.798 1.00 0.00 N ATOM 275 CA GLY A 148 4.271 5.290 9.674 1.00 0.00 C ATOM 276 C GLY A 148 2.849 4.718 9.687 1.00 0.00 C ATOM 277 O GLY A 148 2.002 5.282 10.376 1.00 0.00 O ATOM 0 H GLY A 148 5.746 3.876 9.277 1.00 0.00 H new ATOM 0 HA2 GLY A 148 4.667 5.270 10.689 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.226 6.336 9.370 1.00 0.00 H new ATOM 281 N VAL A 149 2.558 3.624 8.969 1.00 0.00 N ATOM 282 CA VAL A 149 1.217 3.044 8.917 1.00 0.00 C ATOM 283 C VAL A 149 1.268 1.544 9.219 1.00 0.00 C ATOM 284 O VAL A 149 2.061 0.809 8.632 1.00 0.00 O ATOM 285 CB VAL A 149 0.590 3.314 7.539 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.831 2.750 7.449 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.546 4.816 7.217 1.00 0.00 C ATOM 0 H VAL A 149 3.247 3.120 8.411 1.00 0.00 H new ATOM 0 HA VAL A 149 0.594 3.512 9.679 1.00 0.00 H new ATOM 0 HB VAL A 149 1.226 2.811 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.244 2.959 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.806 1.672 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.457 3.217 8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.096 4.965 6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -0.049 5.332 7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.559 5.218 7.216 1.00 0.00 H new ATOM 297 N TYR A 150 0.399 1.077 10.123 1.00 0.00 N ATOM 298 CA TYR A 150 0.283 -0.333 10.472 1.00 0.00 C ATOM 299 C TYR A 150 -0.019 -1.142 9.208 1.00 0.00 C ATOM 300 O TYR A 150 -1.081 -0.994 8.600 1.00 0.00 O ATOM 301 CB TYR A 150 -0.778 -0.516 11.560 1.00 0.00 C ATOM 302 CG TYR A 150 -0.367 0.066 12.904 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.462 -0.680 13.763 1.00 0.00 C ATOM 304 CD2 TYR A 150 -0.861 1.315 13.329 1.00 0.00 C ATOM 305 CE1 TYR A 150 0.849 -0.155 15.007 1.00 0.00 C ATOM 306 CE2 TYR A 150 -0.467 1.842 14.570 1.00 0.00 C ATOM 307 CZ TYR A 150 0.382 1.106 15.411 1.00 0.00 C ATOM 308 OH TYR A 150 0.751 1.620 16.617 1.00 0.00 O ATOM 0 H TYR A 150 -0.247 1.678 10.635 1.00 0.00 H new ATOM 0 HA TYR A 150 1.222 -0.703 10.883 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.706 -0.045 11.236 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.986 -1.579 11.680 1.00 0.00 H new ATOM 0 HD1 TYR A 150 0.802 -1.661 13.464 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -1.543 1.868 12.700 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.505 -0.721 15.652 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -0.818 2.816 14.878 1.00 0.00 H new ATOM 0 HH TYR A 150 0.339 2.501 16.737 1.00 0.00 H new ATOM 318 N SER A 151 0.941 -1.966 8.783 1.00 0.00 N ATOM 319 CA SER A 151 0.851 -2.745 7.565 1.00 0.00 C ATOM 320 C SER A 151 1.669 -4.029 7.696 1.00 0.00 C ATOM 321 O SER A 151 2.331 -4.236 8.713 1.00 0.00 O ATOM 322 CB SER A 151 1.267 -1.862 6.383 1.00 0.00 C ATOM 323 OG SER A 151 2.454 -1.157 6.676 1.00 0.00 O ATOM 0 H SER A 151 1.814 -2.107 9.291 1.00 0.00 H new ATOM 0 HA SER A 151 -0.174 -3.068 7.382 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.415 -2.479 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 151 0.468 -1.157 6.151 1.00 0.00 H new ATOM 0 HG SER A 151 2.259 -0.439 7.314 1.00 0.00 H new ATOM 329 N CYS A 152 1.582 -4.909 6.692 1.00 0.00 N ATOM 330 CA CYS A 152 2.278 -6.190 6.654 1.00 0.00 C ATOM 331 C CYS A 152 3.456 -6.142 5.683 1.00 0.00 C ATOM 332 O CYS A 152 3.437 -5.352 4.738 1.00 0.00 O ATOM 333 CB CYS A 152 1.303 -7.321 6.299 1.00 0.00 C ATOM 334 SG CYS A 152 0.451 -7.186 4.703 1.00 0.00 S ATOM 0 H CYS A 152 1.010 -4.741 5.865 1.00 0.00 H new ATOM 0 HA CYS A 152 2.681 -6.394 7.646 1.00 0.00 H new ATOM 0 HB2 CYS A 152 1.853 -8.262 6.313 1.00 0.00 H new ATOM 0 HB3 CYS A 152 0.549 -7.380 7.084 1.00 0.00 H new ATOM 0 HG CYS A 152 -0.364 -6.174 4.731 1.00 0.00 H new ATOM 339 N GLU A 153 4.470 -6.990 5.903 1.00 0.00 N ATOM 340 CA GLU A 153 5.667 -7.037 5.061 1.00 0.00 C ATOM 341 C GLU A 153 5.342 -7.062 3.562 1.00 0.00 C ATOM 342 O GLU A 153 5.979 -6.367 2.774 1.00 0.00 O ATOM 343 CB GLU A 153 6.562 -8.235 5.417 1.00 0.00 C ATOM 344 CG GLU A 153 7.061 -8.255 6.870 1.00 0.00 C ATOM 345 CD GLU A 153 7.786 -6.979 7.297 1.00 0.00 C ATOM 346 OE1 GLU A 153 8.477 -6.389 6.439 1.00 0.00 O ATOM 347 OE2 GLU A 153 7.644 -6.626 8.488 1.00 0.00 O ATOM 0 H GLU A 153 4.481 -7.662 6.671 1.00 0.00 H new ATOM 0 HA GLU A 153 6.208 -6.113 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 153 6.009 -9.154 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 153 7.425 -8.237 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 153 6.211 -8.417 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 153 7.733 -9.103 7.001 1.00 0.00 H new ATOM 354 N GLY A 154 4.347 -7.855 3.153 1.00 0.00 N ATOM 355 CA GLY A 154 3.945 -7.933 1.754 1.00 0.00 C ATOM 356 C GLY A 154 3.594 -6.545 1.209 1.00 0.00 C ATOM 357 O GLY A 154 4.056 -6.144 0.138 1.00 0.00 O ATOM 0 H GLY A 154 3.806 -8.453 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 154 4.752 -8.367 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 154 3.085 -8.595 1.655 1.00 0.00 H new ATOM 361 N CYS A 155 2.801 -5.793 1.975 1.00 0.00 N ATOM 362 CA CYS A 155 2.413 -4.440 1.624 1.00 0.00 C ATOM 363 C CYS A 155 3.619 -3.509 1.685 1.00 0.00 C ATOM 364 O CYS A 155 3.780 -2.670 0.802 1.00 0.00 O ATOM 365 CB CYS A 155 1.269 -3.970 2.513 1.00 0.00 C ATOM 366 SG CYS A 155 -0.324 -4.665 2.014 1.00 0.00 S ATOM 0 H CYS A 155 2.411 -6.115 2.861 1.00 0.00 H new ATOM 0 HA CYS A 155 2.048 -4.424 0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.477 -4.250 3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.213 -2.882 2.483 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.134 -4.666 3.030 1.00 0.00 H new ATOM 371 N LYS A 156 4.470 -3.667 2.705 1.00 0.00 N ATOM 372 CA LYS A 156 5.690 -2.884 2.843 1.00 0.00 C ATOM 373 C LYS A 156 6.490 -2.964 1.541 1.00 0.00 C ATOM 374 O LYS A 156 6.843 -1.938 0.951 1.00 0.00 O ATOM 375 CB LYS A 156 6.526 -3.385 4.027 1.00 0.00 C ATOM 376 CG LYS A 156 7.709 -2.448 4.283 1.00 0.00 C ATOM 377 CD LYS A 156 8.577 -2.977 5.424 1.00 0.00 C ATOM 378 CE LYS A 156 9.625 -1.939 5.849 1.00 0.00 C ATOM 379 NZ LYS A 156 10.478 -1.517 4.723 1.00 0.00 N ATOM 0 H LYS A 156 4.327 -4.343 3.455 1.00 0.00 H new ATOM 0 HA LYS A 156 5.429 -1.844 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.903 -3.446 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.890 -4.392 3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 156 8.308 -2.354 3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 156 7.344 -1.451 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.947 -3.232 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 156 9.076 -3.894 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 156 9.122 -1.068 6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 156 10.249 -2.357 6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 11.254 -0.922 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 10.873 -2.356 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 9.910 -0.974 4.042 1.00 0.00 H new ATOM 393 N GLY A 157 6.764 -4.200 1.113 1.00 0.00 N ATOM 394 CA GLY A 157 7.498 -4.515 -0.097 1.00 0.00 C ATOM 395 C GLY A 157 6.788 -3.936 -1.314 1.00 0.00 C ATOM 396 O GLY A 157 7.401 -3.208 -2.088 1.00 0.00 O ATOM 0 H GLY A 157 6.467 -5.031 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 157 8.509 -4.113 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.591 -5.596 -0.202 1.00 0.00 H new ATOM 400 N PHE A 158 5.496 -4.247 -1.473 1.00 0.00 N ATOM 401 CA PHE A 158 4.679 -3.744 -2.574 1.00 0.00 C ATOM 402 C PHE A 158 4.829 -2.231 -2.714 1.00 0.00 C ATOM 403 O PHE A 158 5.122 -1.732 -3.800 1.00 0.00 O ATOM 404 CB PHE A 158 3.212 -4.125 -2.337 1.00 0.00 C ATOM 405 CG PHE A 158 2.196 -3.256 -3.056 1.00 0.00 C ATOM 406 CD1 PHE A 158 2.094 -3.300 -4.460 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.417 -2.332 -2.327 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.162 -2.480 -5.120 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.506 -1.495 -2.994 1.00 0.00 C ATOM 410 CZ PHE A 158 0.376 -1.575 -4.389 1.00 0.00 C ATOM 0 H PHE A 158 4.988 -4.859 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 158 5.019 -4.198 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 158 3.067 -5.160 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 158 3.010 -4.083 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.730 -3.962 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.521 -2.268 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 158 1.050 -2.546 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.093 -0.792 -2.434 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.330 -0.939 -4.902 1.00 0.00 H new ATOM 420 N PHE A 159 4.623 -1.499 -1.619 1.00 0.00 N ATOM 421 CA PHE A 159 4.732 -0.052 -1.615 1.00 0.00 C ATOM 422 C PHE A 159 6.148 0.357 -2.021 1.00 0.00 C ATOM 423 O PHE A 159 6.312 1.203 -2.896 1.00 0.00 O ATOM 424 CB PHE A 159 4.343 0.493 -0.240 1.00 0.00 C ATOM 425 CG PHE A 159 4.316 2.007 -0.150 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.171 2.713 -0.563 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.407 2.709 0.392 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.096 4.105 -0.382 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.306 4.090 0.635 1.00 0.00 C ATOM 430 CZ PHE A 159 4.157 4.793 0.232 1.00 0.00 C ATOM 0 H PHE A 159 4.376 -1.898 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 159 4.044 0.378 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.358 0.108 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 159 5.045 0.110 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.348 2.184 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.324 2.187 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.223 4.646 -0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 159 6.111 4.611 1.131 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.090 5.859 0.394 1.00 0.00 H new ATOM 440 N LYS A 160 7.167 -0.268 -1.413 1.00 0.00 N ATOM 441 CA LYS A 160 8.563 0.005 -1.742 1.00 0.00 C ATOM 442 C LYS A 160 8.769 -0.109 -3.256 1.00 0.00 C ATOM 443 O LYS A 160 9.189 0.848 -3.901 1.00 0.00 O ATOM 444 CB LYS A 160 9.506 -0.931 -0.954 1.00 0.00 C ATOM 445 CG LYS A 160 10.759 -0.200 -0.447 1.00 0.00 C ATOM 446 CD LYS A 160 11.585 -1.031 0.541 1.00 0.00 C ATOM 447 CE LYS A 160 12.335 -2.180 -0.141 1.00 0.00 C ATOM 448 NZ LYS A 160 13.173 -2.905 0.829 1.00 0.00 N ATOM 0 H LYS A 160 7.042 -0.971 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 160 8.811 1.024 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.968 -1.357 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.806 -1.763 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.385 0.068 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.459 0.731 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.301 -0.383 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.926 -1.437 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 160 11.621 -2.866 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 160 12.958 -1.788 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 13.672 -3.679 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.867 -2.252 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.572 -3.297 1.582 1.00 0.00 H new ATOM 462 N ARG A 161 8.437 -1.268 -3.828 1.00 0.00 N ATOM 463 CA ARG A 161 8.548 -1.527 -5.251 1.00 0.00 C ATOM 464 C ARG A 161 7.793 -0.467 -6.055 1.00 0.00 C ATOM 465 O ARG A 161 8.366 0.140 -6.956 1.00 0.00 O ATOM 466 CB ARG A 161 8.036 -2.938 -5.560 1.00 0.00 C ATOM 467 CG ARG A 161 8.992 -4.016 -5.031 1.00 0.00 C ATOM 468 CD ARG A 161 8.533 -5.419 -5.447 1.00 0.00 C ATOM 469 NE ARG A 161 7.275 -5.812 -4.794 1.00 0.00 N ATOM 470 CZ ARG A 161 7.179 -6.411 -3.597 1.00 0.00 C ATOM 471 NH1 ARG A 161 8.259 -6.554 -2.821 1.00 0.00 N ATOM 472 NH2 ARG A 161 5.994 -6.870 -3.181 1.00 0.00 N ATOM 0 H ARG A 161 8.078 -2.063 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 161 9.596 -1.470 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 161 7.051 -3.074 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 161 7.916 -3.054 -6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.997 -3.832 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 161 9.046 -3.956 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 161 8.403 -5.450 -6.529 1.00 0.00 H new ATOM 0 HD3 ARG A 161 9.310 -6.142 -5.198 1.00 0.00 H new ATOM 0 HE ARG A 161 6.406 -5.613 -5.291 1.00 0.00 H new ATOM 0 HH11 ARG A 161 9.164 -6.207 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 161 8.177 -7.010 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 161 5.170 -6.764 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 161 5.914 -7.326 -2.272 1.00 0.00 H new ATOM 486 N THR A 162 6.518 -0.242 -5.727 1.00 0.00 N ATOM 487 CA THR A 162 5.673 0.733 -6.402 1.00 0.00 C ATOM 488 C THR A 162 6.356 2.097 -6.476 1.00 0.00 C ATOM 489 O THR A 162 6.457 2.674 -7.556 1.00 0.00 O ATOM 490 CB THR A 162 4.310 0.832 -5.703 1.00 0.00 C ATOM 491 OG1 THR A 162 3.673 -0.430 -5.742 1.00 0.00 O ATOM 492 CG2 THR A 162 3.408 1.870 -6.378 1.00 0.00 C ATOM 0 H THR A 162 6.042 -0.741 -4.975 1.00 0.00 H new ATOM 0 HA THR A 162 5.509 0.395 -7.425 1.00 0.00 H new ATOM 0 HB THR A 162 4.479 1.144 -4.672 1.00 0.00 H new ATOM 0 HG1 THR A 162 4.079 -1.022 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.451 1.914 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.887 2.848 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.243 1.587 -7.418 1.00 0.00 H new ATOM 500 N VAL A 163 6.808 2.607 -5.329 1.00 0.00 N ATOM 501 CA VAL A 163 7.458 3.903 -5.228 1.00 0.00 C ATOM 502 C VAL A 163 8.770 3.903 -6.015 1.00 0.00 C ATOM 503 O VAL A 163 8.969 4.771 -6.860 1.00 0.00 O ATOM 504 CB VAL A 163 7.647 4.257 -3.743 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.551 5.481 -3.541 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.290 4.539 -3.079 1.00 0.00 C ATOM 0 H VAL A 163 6.729 2.121 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 163 6.834 4.677 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 163 8.126 3.394 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.651 5.688 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.535 5.281 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.110 6.345 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.443 4.788 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.805 5.375 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.658 3.654 -3.154 1.00 0.00 H new ATOM 516 N ARG A 164 9.662 2.940 -5.754 1.00 0.00 N ATOM 517 CA ARG A 164 10.953 2.840 -6.435 1.00 0.00 C ATOM 518 C ARG A 164 10.781 2.852 -7.955 1.00 0.00 C ATOM 519 O ARG A 164 11.475 3.576 -8.664 1.00 0.00 O ATOM 520 CB ARG A 164 11.686 1.557 -6.017 1.00 0.00 C ATOM 521 CG ARG A 164 12.148 1.537 -4.555 1.00 0.00 C ATOM 522 CD ARG A 164 13.378 2.408 -4.280 1.00 0.00 C ATOM 523 NE ARG A 164 13.824 2.223 -2.892 1.00 0.00 N ATOM 524 CZ ARG A 164 14.486 1.157 -2.425 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.936 0.210 -3.256 1.00 0.00 N ATOM 526 NH2 ARG A 164 14.681 1.044 -1.111 1.00 0.00 N ATOM 0 H ARG A 164 9.506 2.207 -5.062 1.00 0.00 H new ATOM 0 HA ARG A 164 11.544 3.708 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 164 11.028 0.705 -6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.555 1.424 -6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 164 11.328 1.873 -3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 164 12.372 0.509 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 164 14.182 2.144 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 164 13.138 3.456 -4.457 1.00 0.00 H new ATOM 0 HE ARG A 164 13.612 2.969 -2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 164 14.776 0.295 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 164 15.439 -0.597 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 164 14.328 1.763 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 164 15.183 0.239 -0.737 1.00 0.00 H new ATOM 540 N LYS A 165 9.864 2.022 -8.446 1.00 0.00 N ATOM 541 CA LYS A 165 9.575 1.886 -9.864 1.00 0.00 C ATOM 542 C LYS A 165 8.748 3.065 -10.389 1.00 0.00 C ATOM 543 O LYS A 165 8.734 3.311 -11.592 1.00 0.00 O ATOM 544 CB LYS A 165 8.784 0.594 -10.085 1.00 0.00 C ATOM 545 CG LYS A 165 9.534 -0.687 -9.687 1.00 0.00 C ATOM 546 CD LYS A 165 10.183 -1.325 -10.921 1.00 0.00 C ATOM 547 CE LYS A 165 11.039 -2.542 -10.550 1.00 0.00 C ATOM 548 NZ LYS A 165 10.238 -3.614 -9.933 1.00 0.00 N ATOM 0 H LYS A 165 9.293 1.416 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 165 10.522 1.865 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 165 7.856 0.649 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.509 0.527 -11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 165 10.298 -0.454 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 165 8.844 -1.392 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 165 9.407 -1.627 -11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 165 10.803 -0.586 -11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 165 11.530 -2.926 -11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 165 11.826 -2.235 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 10.838 -4.449 -9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 9.858 -3.284 -9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 9.452 -3.867 -10.565 1.00 0.00 H new ATOM 562 N ASP A 166 8.002 3.733 -9.503 1.00 0.00 N ATOM 563 CA ASP A 166 7.037 4.776 -9.820 1.00 0.00 C ATOM 564 C ASP A 166 5.974 4.172 -10.736 1.00 0.00 C ATOM 565 O ASP A 166 5.679 4.682 -11.815 1.00 0.00 O ATOM 566 CB ASP A 166 7.709 6.035 -10.386 1.00 0.00 C ATOM 567 CG ASP A 166 6.709 7.167 -10.616 1.00 0.00 C ATOM 568 OD1 ASP A 166 5.753 7.265 -9.815 1.00 0.00 O ATOM 569 OD2 ASP A 166 6.929 7.931 -11.580 1.00 0.00 O ATOM 0 H ASP A 166 8.062 3.548 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 166 6.547 5.129 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 166 8.485 6.372 -9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 166 8.202 5.790 -11.327 1.00 0.00 H new ATOM 574 N LEU A 167 5.420 3.038 -10.297 1.00 0.00 N ATOM 575 CA LEU A 167 4.445 2.294 -11.081 1.00 0.00 C ATOM 576 C LEU A 167 3.100 3.010 -11.159 1.00 0.00 C ATOM 577 O LEU A 167 2.303 2.989 -10.221 1.00 0.00 O ATOM 578 CB LEU A 167 4.309 0.855 -10.568 1.00 0.00 C ATOM 579 CG LEU A 167 5.395 -0.028 -11.201 1.00 0.00 C ATOM 580 CD1 LEU A 167 5.701 -1.248 -10.330 1.00 0.00 C ATOM 581 CD2 LEU A 167 4.971 -0.484 -12.604 1.00 0.00 C ATOM 0 H LEU A 167 5.637 2.617 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 167 4.819 2.242 -12.104 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.400 0.836 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 167 3.321 0.464 -10.812 1.00 0.00 H new ATOM 0 HG LEU A 167 6.301 0.573 -11.279 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.473 -1.851 -10.807 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.051 -0.918 -9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 167 4.797 -1.845 -10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 167 5.753 -1.108 -13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 167 4.046 -1.057 -12.536 1.00 0.00 H new ATOM 0 HD23 LEU A 167 4.812 0.389 -13.238 1.00 0.00 H new ATOM 593 N THR A 168 2.842 3.617 -12.315 1.00 0.00 N ATOM 594 CA THR A 168 1.611 4.315 -12.615 1.00 0.00 C ATOM 595 C THR A 168 0.522 3.277 -12.887 1.00 0.00 C ATOM 596 O THR A 168 0.243 2.960 -14.043 1.00 0.00 O ATOM 597 CB THR A 168 1.854 5.207 -13.839 1.00 0.00 C ATOM 598 OG1 THR A 168 2.418 4.421 -14.869 1.00 0.00 O ATOM 599 CG2 THR A 168 2.814 6.352 -13.506 1.00 0.00 C ATOM 0 H THR A 168 3.509 3.633 -13.087 1.00 0.00 H new ATOM 0 HA THR A 168 1.290 4.942 -11.784 1.00 0.00 H new ATOM 0 HB THR A 168 0.902 5.635 -14.153 1.00 0.00 H new ATOM 0 HG1 THR A 168 1.820 3.672 -15.074 1.00 0.00 H new ATOM 0 HG21 THR A 168 2.968 6.968 -14.392 1.00 0.00 H new ATOM 0 HG22 THR A 168 2.389 6.963 -12.709 1.00 0.00 H new ATOM 0 HG23 THR A 168 3.770 5.942 -13.179 1.00 0.00 H new ATOM 607 N TYR A 169 -0.076 2.736 -11.825 1.00 0.00 N ATOM 608 CA TYR A 169 -1.135 1.746 -11.951 1.00 0.00 C ATOM 609 C TYR A 169 -2.430 2.444 -12.379 1.00 0.00 C ATOM 610 O TYR A 169 -2.503 3.671 -12.461 1.00 0.00 O ATOM 611 CB TYR A 169 -1.352 1.052 -10.601 1.00 0.00 C ATOM 612 CG TYR A 169 -0.145 0.391 -9.964 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.536 -0.640 -10.639 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.174 0.674 -8.623 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.552 -1.359 -9.984 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.175 -0.060 -7.968 1.00 0.00 C ATOM 617 CZ TYR A 169 1.901 -1.039 -8.663 1.00 0.00 C ATOM 618 OH TYR A 169 2.885 -1.738 -8.032 1.00 0.00 O ATOM 0 H TYR A 169 0.161 2.973 -10.862 1.00 0.00 H new ATOM 0 HA TYR A 169 -0.854 1.004 -12.698 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.743 1.789 -9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -2.124 0.294 -10.730 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.278 -0.879 -11.660 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.352 1.457 -8.097 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.064 -2.159 -10.498 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.387 0.129 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 169 3.100 -1.304 -7.180 1.00 0.00 H new ATOM 628 N THR A 170 -3.476 1.663 -12.644 1.00 0.00 N ATOM 629 CA THR A 170 -4.792 2.156 -13.030 1.00 0.00 C ATOM 630 C THR A 170 -5.815 1.094 -12.618 1.00 0.00 C ATOM 631 O THR A 170 -5.443 -0.056 -12.383 1.00 0.00 O ATOM 632 CB THR A 170 -4.815 2.451 -14.543 1.00 0.00 C ATOM 633 OG1 THR A 170 -3.730 3.285 -14.901 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.096 3.157 -15.001 1.00 0.00 C ATOM 0 H THR A 170 -3.428 0.645 -12.594 1.00 0.00 H new ATOM 0 HA THR A 170 -5.037 3.093 -12.531 1.00 0.00 H new ATOM 0 HB THR A 170 -4.754 1.478 -15.030 1.00 0.00 H new ATOM 0 HG1 THR A 170 -3.757 3.462 -15.864 1.00 0.00 H new ATOM 0 HG21 THR A 170 -6.049 3.336 -16.075 1.00 0.00 H new ATOM 0 HG22 THR A 170 -6.958 2.529 -14.775 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.193 4.109 -14.479 1.00 0.00 H new ATOM 642 N CYS A 171 -7.090 1.477 -12.530 1.00 0.00 N ATOM 643 CA CYS A 171 -8.219 0.623 -12.196 1.00 0.00 C ATOM 644 C CYS A 171 -9.439 1.266 -12.857 1.00 0.00 C ATOM 645 O CYS A 171 -9.400 2.455 -13.168 1.00 0.00 O ATOM 646 CB CYS A 171 -8.354 0.508 -10.669 1.00 0.00 C ATOM 647 SG CYS A 171 -9.837 -0.334 -10.044 1.00 0.00 S ATOM 0 H CYS A 171 -7.372 2.442 -12.700 1.00 0.00 H new ATOM 0 HA CYS A 171 -8.099 -0.398 -12.559 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.478 -0.017 -10.288 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.330 1.513 -10.248 1.00 0.00 H new ATOM 0 HG CYS A 171 -9.494 -1.206 -9.143 1.00 0.00 H new ATOM 652 N ARG A 172 -10.497 0.485 -13.100 1.00 0.00 N ATOM 653 CA ARG A 172 -11.718 0.966 -13.743 1.00 0.00 C ATOM 654 C ARG A 172 -12.333 2.136 -12.971 1.00 0.00 C ATOM 655 O ARG A 172 -12.899 3.047 -13.569 1.00 0.00 O ATOM 656 CB ARG A 172 -12.733 -0.175 -13.874 1.00 0.00 C ATOM 657 CG ARG A 172 -12.217 -1.305 -14.776 1.00 0.00 C ATOM 658 CD ARG A 172 -13.294 -2.379 -14.947 1.00 0.00 C ATOM 659 NE ARG A 172 -12.811 -3.473 -15.799 1.00 0.00 N ATOM 660 CZ ARG A 172 -13.538 -4.546 -16.143 1.00 0.00 C ATOM 661 NH1 ARG A 172 -14.795 -4.677 -15.706 1.00 0.00 N ATOM 662 NH2 ARG A 172 -13.000 -5.483 -16.928 1.00 0.00 N ATOM 0 H ARG A 172 -10.527 -0.504 -12.853 1.00 0.00 H new ATOM 0 HA ARG A 172 -11.453 1.324 -14.738 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -12.958 -0.575 -12.885 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -13.666 0.215 -14.280 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -11.936 -0.903 -15.750 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -11.320 -1.746 -14.342 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -13.580 -2.772 -13.971 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -14.188 -1.937 -15.387 1.00 0.00 H new ATOM 0 HE ARG A 172 -11.857 -3.413 -16.154 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -15.205 -3.959 -15.108 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -15.344 -5.495 -15.970 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -12.042 -5.380 -17.262 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -13.547 -6.302 -17.194 1.00 0.00 H new ATOM 676 N ASP A 173 -12.208 2.103 -11.644 1.00 0.00 N ATOM 677 CA ASP A 173 -12.675 3.127 -10.727 1.00 0.00 C ATOM 678 C ASP A 173 -11.493 3.517 -9.845 1.00 0.00 C ATOM 679 O ASP A 173 -10.503 2.787 -9.789 1.00 0.00 O ATOM 680 CB ASP A 173 -13.841 2.598 -9.890 1.00 0.00 C ATOM 681 CG ASP A 173 -15.037 2.205 -10.749 1.00 0.00 C ATOM 682 OD1 ASP A 173 -15.885 3.093 -10.984 1.00 0.00 O ATOM 683 OD2 ASP A 173 -15.080 1.023 -11.159 1.00 0.00 O ATOM 0 H ASP A 173 -11.757 1.324 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 173 -13.041 3.999 -11.268 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -13.510 1.733 -9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -14.146 3.360 -9.173 1.00 0.00 H new ATOM 688 N ASN A 174 -11.579 4.662 -9.165 1.00 0.00 N ATOM 689 CA ASN A 174 -10.495 5.150 -8.321 1.00 0.00 C ATOM 690 C ASN A 174 -10.602 4.546 -6.914 1.00 0.00 C ATOM 691 O ASN A 174 -11.110 3.440 -6.744 1.00 0.00 O ATOM 692 CB ASN A 174 -10.460 6.688 -8.347 1.00 0.00 C ATOM 693 CG ASN A 174 -10.223 7.218 -9.757 1.00 0.00 C ATOM 694 OD1 ASN A 174 -11.172 7.524 -10.471 1.00 0.00 O ATOM 695 ND2 ASN A 174 -8.965 7.339 -10.174 1.00 0.00 N ATOM 0 H ASN A 174 -12.397 5.271 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 174 -9.533 4.820 -8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -11.401 7.081 -7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.671 7.046 -7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -8.770 7.694 -11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -8.196 7.076 -9.558 1.00 0.00 H new ATOM 702 N LYS A 175 -10.141 5.271 -5.886 1.00 0.00 N ATOM 703 CA LYS A 175 -10.127 4.849 -4.486 1.00 0.00 C ATOM 704 C LYS A 175 -11.482 4.401 -3.914 1.00 0.00 C ATOM 705 O LYS A 175 -11.528 3.874 -2.805 1.00 0.00 O ATOM 706 CB LYS A 175 -9.473 5.946 -3.634 1.00 0.00 C ATOM 707 CG LYS A 175 -10.262 7.265 -3.629 1.00 0.00 C ATOM 708 CD LYS A 175 -9.629 8.307 -2.695 1.00 0.00 C ATOM 709 CE LYS A 175 -8.236 8.753 -3.160 1.00 0.00 C ATOM 710 NZ LYS A 175 -7.722 9.856 -2.329 1.00 0.00 N ATOM 0 H LYS A 175 -9.753 6.205 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 175 -9.531 3.937 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -9.371 5.588 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -8.466 6.134 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -10.307 7.665 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -11.288 7.073 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -10.282 9.177 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -9.556 7.891 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -7.548 7.909 -3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -8.282 9.071 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -6.779 10.136 -2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -8.368 10.669 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -7.656 9.543 -1.339 1.00 0.00 H new ATOM 724 N ASP A 176 -12.577 4.554 -4.664 1.00 0.00 N ATOM 725 CA ASP A 176 -13.893 4.088 -4.256 1.00 0.00 C ATOM 726 C ASP A 176 -13.941 2.559 -4.378 1.00 0.00 C ATOM 727 O ASP A 176 -14.707 1.914 -3.665 1.00 0.00 O ATOM 728 CB ASP A 176 -14.975 4.751 -5.116 1.00 0.00 C ATOM 729 CG ASP A 176 -14.802 4.422 -6.594 1.00 0.00 C ATOM 730 OD1 ASP A 176 -13.878 5.013 -7.195 1.00 0.00 O ATOM 731 OD2 ASP A 176 -15.577 3.574 -7.085 1.00 0.00 O ATOM 0 H ASP A 176 -12.569 5.009 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 176 -14.082 4.362 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -15.958 4.420 -4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -14.939 5.832 -4.977 1.00 0.00 H new ATOM 736 N CYS A 177 -13.078 1.966 -5.215 1.00 0.00 N ATOM 737 CA CYS A 177 -12.902 0.520 -5.298 1.00 0.00 C ATOM 738 C CYS A 177 -12.056 0.128 -4.077 1.00 0.00 C ATOM 739 O CYS A 177 -10.871 -0.184 -4.173 1.00 0.00 O ATOM 740 CB CYS A 177 -12.265 0.171 -6.652 1.00 0.00 C ATOM 741 SG CYS A 177 -11.623 -1.514 -6.879 1.00 0.00 S ATOM 0 H CYS A 177 -12.480 2.487 -5.857 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.835 -0.042 -5.265 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -13.008 0.353 -7.428 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.445 0.868 -6.826 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.977 -1.880 -5.812 1.00 0.00 H new ATOM 746 N LEU A 178 -12.686 0.222 -2.905 1.00 0.00 N ATOM 747 CA LEU A 178 -12.095 0.000 -1.595 1.00 0.00 C ATOM 748 C LEU A 178 -11.508 -1.410 -1.477 1.00 0.00 C ATOM 749 O LEU A 178 -12.000 -2.347 -2.106 1.00 0.00 O ATOM 750 CB LEU A 178 -13.183 0.255 -0.536 1.00 0.00 C ATOM 751 CG LEU A 178 -12.679 0.396 0.911 1.00 0.00 C ATOM 752 CD1 LEU A 178 -11.892 1.697 1.109 1.00 0.00 C ATOM 753 CD2 LEU A 178 -13.879 0.410 1.864 1.00 0.00 C ATOM 0 H LEU A 178 -13.674 0.468 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 178 -11.263 0.687 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.721 1.164 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -13.901 -0.564 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 178 -12.021 -0.448 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -11.552 1.763 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -11.030 1.706 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -12.534 2.549 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.527 0.510 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.528 1.251 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -14.437 -0.521 1.760 1.00 0.00 H new ATOM 765 N ILE A 179 -10.470 -1.559 -0.648 1.00 0.00 N ATOM 766 CA ILE A 179 -9.814 -2.826 -0.357 1.00 0.00 C ATOM 767 C ILE A 179 -10.200 -3.214 1.071 1.00 0.00 C ATOM 768 O ILE A 179 -10.183 -2.366 1.961 1.00 0.00 O ATOM 769 CB ILE A 179 -8.289 -2.701 -0.522 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.887 -2.072 -1.867 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.617 -4.069 -0.333 1.00 0.00 C ATOM 772 CD1 ILE A 179 -8.339 -2.875 -3.089 1.00 0.00 C ATOM 0 H ILE A 179 -10.054 -0.773 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 179 -10.134 -3.601 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 179 -7.937 -2.022 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -8.309 -1.069 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -6.803 -1.964 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.539 -3.964 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.836 -4.447 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.999 -4.768 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -8.018 -2.366 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.896 -3.870 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -9.426 -2.961 -3.086 1.00 0.00 H new ATOM 784 N ASP A 180 -10.558 -4.485 1.278 1.00 0.00 N ATOM 785 CA ASP A 180 -10.978 -5.067 2.545 1.00 0.00 C ATOM 786 C ASP A 180 -10.670 -6.565 2.476 1.00 0.00 C ATOM 787 O ASP A 180 -10.265 -7.060 1.423 1.00 0.00 O ATOM 788 CB ASP A 180 -12.491 -4.868 2.746 1.00 0.00 C ATOM 789 CG ASP A 180 -12.910 -3.403 2.776 1.00 0.00 C ATOM 790 OD1 ASP A 180 -12.837 -2.812 3.875 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.311 -2.910 1.699 1.00 0.00 O ATOM 0 H ASP A 180 -10.561 -5.168 0.521 1.00 0.00 H new ATOM 0 HA ASP A 180 -10.456 -4.591 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -13.026 -5.375 1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.792 -5.343 3.680 1.00 0.00 H new ATOM 921 N CYS A 187 -5.523 -5.404 -6.401 1.00 0.00 N ATOM 922 CA CYS A 187 -5.882 -4.223 -7.157 1.00 0.00 C ATOM 923 C CYS A 187 -4.870 -3.112 -6.847 1.00 0.00 C ATOM 924 O CYS A 187 -5.163 -2.159 -6.125 1.00 0.00 O ATOM 925 CB CYS A 187 -7.321 -3.860 -6.784 1.00 0.00 C ATOM 926 SG CYS A 187 -8.009 -2.467 -7.697 1.00 0.00 S ATOM 0 HA CYS A 187 -5.845 -4.385 -8.234 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.955 -4.732 -6.947 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -7.359 -3.633 -5.719 1.00 0.00 H new ATOM 0 HG CYS A 187 -9.242 -2.276 -7.332 1.00 0.00 H new ATOM 931 N GLN A 188 -3.656 -3.283 -7.376 1.00 0.00 N ATOM 932 CA GLN A 188 -2.480 -2.445 -7.168 1.00 0.00 C ATOM 933 C GLN A 188 -2.789 -0.950 -7.062 1.00 0.00 C ATOM 934 O GLN A 188 -2.382 -0.323 -6.088 1.00 0.00 O ATOM 935 CB GLN A 188 -1.448 -2.717 -8.273 1.00 0.00 C ATOM 936 CG GLN A 188 -1.061 -4.193 -8.453 1.00 0.00 C ATOM 937 CD GLN A 188 -0.551 -4.841 -7.165 1.00 0.00 C ATOM 938 OE1 GLN A 188 -1.305 -5.065 -6.221 1.00 0.00 O ATOM 939 NE2 GLN A 188 0.744 -5.138 -7.097 1.00 0.00 N ATOM 0 H GLN A 188 -3.459 -4.064 -8.002 1.00 0.00 H new ATOM 0 HA GLN A 188 -2.068 -2.721 -6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.843 -2.343 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.546 -2.145 -8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -1.927 -4.748 -8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -0.291 -4.270 -9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 188 1.354 -4.944 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 188 1.127 -5.559 -6.251 1.00 0.00 H new ATOM 948 N TYR A 189 -3.500 -0.366 -8.031 1.00 0.00 N ATOM 949 CA TYR A 189 -3.822 1.057 -7.978 1.00 0.00 C ATOM 950 C TYR A 189 -4.509 1.422 -6.665 1.00 0.00 C ATOM 951 O TYR A 189 -4.044 2.303 -5.946 1.00 0.00 O ATOM 952 CB TYR A 189 -4.704 1.463 -9.165 1.00 0.00 C ATOM 953 CG TYR A 189 -5.155 2.915 -9.125 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.327 3.937 -9.623 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.353 3.257 -8.473 1.00 0.00 C ATOM 956 CE1 TYR A 189 -4.755 5.278 -9.581 1.00 0.00 C ATOM 957 CE2 TYR A 189 -6.749 4.599 -8.376 1.00 0.00 C ATOM 958 CZ TYR A 189 -5.981 5.603 -8.977 1.00 0.00 C ATOM 959 OH TYR A 189 -6.430 6.891 -8.942 1.00 0.00 O ATOM 0 H TYR A 189 -3.859 -0.853 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.883 1.607 -8.036 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.155 1.288 -10.090 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.583 0.819 -9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.361 3.693 -10.039 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -6.972 2.482 -8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -4.142 6.055 -10.012 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -7.648 4.858 -7.837 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.096 7.375 -9.726 1.00 0.00 H new ATOM 969 N CYS A 190 -5.624 0.760 -6.364 1.00 0.00 N ATOM 970 CA CYS A 190 -6.408 1.034 -5.176 1.00 0.00 C ATOM 971 C CYS A 190 -5.611 0.712 -3.918 1.00 0.00 C ATOM 972 O CYS A 190 -5.639 1.485 -2.965 1.00 0.00 O ATOM 973 CB CYS A 190 -7.736 0.294 -5.276 1.00 0.00 C ATOM 974 SG CYS A 190 -8.778 0.926 -6.617 1.00 0.00 S ATOM 0 H CYS A 190 -6.006 0.014 -6.946 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.639 2.097 -5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.546 -0.767 -5.436 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.271 0.383 -4.331 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.873 0.029 -7.553 1.00 0.00 H new ATOM 979 N ARG A 191 -4.854 -0.386 -3.916 1.00 0.00 N ATOM 980 CA ARG A 191 -3.990 -0.717 -2.789 1.00 0.00 C ATOM 981 C ARG A 191 -3.000 0.435 -2.547 1.00 0.00 C ATOM 982 O ARG A 191 -2.780 0.856 -1.410 1.00 0.00 O ATOM 983 CB ARG A 191 -3.302 -2.067 -3.029 1.00 0.00 C ATOM 984 CG ARG A 191 -4.333 -3.204 -2.935 1.00 0.00 C ATOM 985 CD ARG A 191 -3.735 -4.589 -3.203 1.00 0.00 C ATOM 986 NE ARG A 191 -2.700 -4.922 -2.214 1.00 0.00 N ATOM 987 CZ ARG A 191 -1.378 -4.772 -2.385 1.00 0.00 C ATOM 988 NH1 ARG A 191 -0.851 -4.543 -3.590 1.00 0.00 N ATOM 989 NH2 ARG A 191 -0.570 -4.841 -1.324 1.00 0.00 N ATOM 0 H ARG A 191 -4.824 -1.058 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.579 -0.830 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.828 -2.074 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.512 -2.219 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.783 -3.196 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -5.135 -3.018 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -4.524 -5.340 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -3.306 -4.615 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 191 -3.014 -5.300 -1.320 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -1.457 -4.478 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 191 0.158 -4.433 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -0.960 -5.006 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 191 0.437 -4.729 -1.442 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.429 0.983 -3.621 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.546 2.133 -3.528 1.00 0.00 C ATOM 1005 C TYR A 192 -2.334 3.352 -3.026 1.00 0.00 C ATOM 1006 O TYR A 192 -1.851 4.063 -2.146 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.843 2.373 -4.873 1.00 0.00 C ATOM 1008 CG TYR A 192 0.221 3.458 -4.901 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.200 3.530 -3.890 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.354 4.263 -6.049 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.288 4.410 -4.019 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.450 5.133 -6.183 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.417 5.208 -5.167 1.00 0.00 C ATOM 1014 OH TYR A 192 3.510 6.009 -5.310 1.00 0.00 O ATOM 0 H TYR A 192 -2.568 0.640 -4.572 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.757 1.945 -2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.383 1.437 -5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.602 2.621 -5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.114 2.906 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.390 4.212 -6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.026 4.473 -3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.549 5.744 -7.068 1.00 0.00 H new ATOM 0 HH TYR A 192 3.450 6.496 -6.158 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.553 3.595 -3.532 1.00 0.00 N ATOM 1025 CA GLN A 193 -4.357 4.704 -3.051 1.00 0.00 C ATOM 1026 C GLN A 193 -4.596 4.574 -1.546 1.00 0.00 C ATOM 1027 O GLN A 193 -4.506 5.570 -0.839 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.692 4.800 -3.793 1.00 0.00 C ATOM 1029 CG GLN A 193 -5.634 5.012 -5.312 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.405 5.765 -5.807 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -4.382 6.990 -5.818 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -3.379 5.038 -6.240 1.00 0.00 N ATOM 0 H GLN A 193 -3.991 3.039 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.803 5.622 -3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -6.253 3.885 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -6.262 5.621 -3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -5.668 4.039 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -6.526 5.556 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -3.430 4.020 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -2.541 5.499 -6.595 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.878 3.366 -1.044 1.00 0.00 N ATOM 1042 CA LYS A 194 -5.063 3.128 0.384 1.00 0.00 C ATOM 1043 C LYS A 194 -3.789 3.561 1.121 1.00 0.00 C ATOM 1044 O LYS A 194 -3.841 4.376 2.044 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.367 1.642 0.642 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.713 1.173 0.067 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.908 1.334 1.018 1.00 0.00 C ATOM 1048 CE LYS A 194 -7.817 0.408 2.239 1.00 0.00 C ATOM 1049 NZ LYS A 194 -9.110 0.275 2.935 1.00 0.00 N ATOM 0 H LYS A 194 -4.983 2.530 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.909 3.708 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.569 1.038 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.359 1.461 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -6.916 1.730 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -6.627 0.123 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.963 2.369 1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -8.830 1.125 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -7.474 -0.577 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -7.071 0.796 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -8.944 0.123 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -9.667 1.143 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -9.633 -0.535 2.545 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.639 3.027 0.696 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.345 3.357 1.284 1.00 0.00 C ATOM 1065 C ALA A 195 -1.138 4.873 1.368 1.00 0.00 C ATOM 1066 O ALA A 195 -0.760 5.412 2.412 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.233 2.712 0.456 1.00 0.00 C ATOM 0 H ALA A 195 -2.584 2.353 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.317 2.967 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.735 2.957 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.365 1.630 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.275 3.089 -0.566 1.00 0.00 H new ATOM 1073 N LEU A 196 -1.389 5.566 0.257 1.00 0.00 N ATOM 1074 CA LEU A 196 -1.248 7.006 0.185 1.00 0.00 C ATOM 1075 C LEU A 196 -2.245 7.700 1.113 1.00 0.00 C ATOM 1076 O LEU A 196 -1.863 8.584 1.873 1.00 0.00 O ATOM 1077 CB LEU A 196 -1.408 7.465 -1.270 1.00 0.00 C ATOM 1078 CG LEU A 196 -0.280 6.979 -2.200 1.00 0.00 C ATOM 1079 CD1 LEU A 196 -0.689 7.231 -3.656 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.048 7.693 -1.917 1.00 0.00 C ATOM 0 H LEU A 196 -1.696 5.136 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 196 -0.251 7.287 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.363 7.105 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -1.445 8.554 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.130 5.915 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.104 6.890 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.607 6.685 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.856 8.297 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 196 1.814 7.319 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 196 0.923 8.766 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.351 7.503 -0.887 1.00 0.00 H new ATOM 1092 N ALA A 197 -3.512 7.292 1.071 1.00 0.00 N ATOM 1093 CA ALA A 197 -4.584 7.845 1.887 1.00 0.00 C ATOM 1094 C ALA A 197 -4.217 7.815 3.369 1.00 0.00 C ATOM 1095 O ALA A 197 -4.355 8.827 4.052 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.898 7.103 1.622 1.00 0.00 C ATOM 0 H ALA A 197 -3.827 6.547 0.450 1.00 0.00 H new ATOM 0 HA ALA A 197 -4.724 8.889 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.688 7.530 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -6.167 7.203 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.776 6.048 1.867 1.00 0.00 H new ATOM 1102 N MET A 198 -3.736 6.672 3.869 1.00 0.00 N ATOM 1103 CA MET A 198 -3.332 6.564 5.265 1.00 0.00 C ATOM 1104 C MET A 198 -2.012 7.292 5.547 1.00 0.00 C ATOM 1105 O MET A 198 -1.619 7.415 6.705 1.00 0.00 O ATOM 1106 CB MET A 198 -3.337 5.099 5.724 1.00 0.00 C ATOM 1107 CG MET A 198 -4.759 4.698 6.141 1.00 0.00 C ATOM 1108 SD MET A 198 -6.019 4.617 4.844 1.00 0.00 S ATOM 1109 CE MET A 198 -5.633 3.001 4.155 1.00 0.00 C ATOM 0 H MET A 198 -3.619 5.816 3.327 1.00 0.00 H new ATOM 0 HA MET A 198 -4.074 7.082 5.872 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.987 4.453 4.919 1.00 0.00 H new ATOM 0 HB3 MET A 198 -2.650 4.966 6.560 1.00 0.00 H new ATOM 0 HG2 MET A 198 -4.706 3.720 6.620 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.100 5.405 6.897 1.00 0.00 H new ATOM 0 HE1 MET A 198 -6.151 2.878 3.204 1.00 0.00 H new ATOM 0 HE2 MET A 198 -4.558 2.921 3.996 1.00 0.00 H new ATOM 0 HE3 MET A 198 -5.957 2.224 4.847 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.348 7.820 4.517 1.00 0.00 N ATOM 1120 CA GLY A 199 -0.165 8.636 4.678 1.00 0.00 C ATOM 1121 C GLY A 199 1.096 7.811 4.854 1.00 0.00 C ATOM 1122 O GLY A 199 1.914 8.143 5.706 1.00 0.00 O ATOM 0 H GLY A 199 -1.626 7.687 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 199 -0.053 9.282 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -0.292 9.287 5.543 1.00 0.00 H new ATOM 1126 N MET A 200 1.290 6.770 4.036 1.00 0.00 N ATOM 1127 CA MET A 200 2.558 6.049 4.082 1.00 0.00 C ATOM 1128 C MET A 200 3.670 7.017 3.653 1.00 0.00 C ATOM 1129 O MET A 200 3.610 7.590 2.563 1.00 0.00 O ATOM 1130 CB MET A 200 2.533 4.793 3.202 1.00 0.00 C ATOM 1131 CG MET A 200 1.809 3.641 3.901 1.00 0.00 C ATOM 1132 SD MET A 200 2.068 2.007 3.171 1.00 0.00 S ATOM 1133 CE MET A 200 1.266 0.990 4.427 1.00 0.00 C ATOM 0 H MET A 200 0.611 6.421 3.360 1.00 0.00 H new ATOM 0 HA MET A 200 2.743 5.698 5.097 1.00 0.00 H new ATOM 0 HB2 MET A 200 2.037 5.018 2.258 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.553 4.493 2.963 1.00 0.00 H new ATOM 0 HG2 MET A 200 2.130 3.610 4.942 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.740 3.854 3.904 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.267 -0.052 4.107 1.00 0.00 H new ATOM 0 HE2 MET A 200 1.807 1.081 5.369 1.00 0.00 H new ATOM 0 HE3 MET A 200 0.238 1.326 4.566 1.00 0.00 H new ATOM 1143 N LYS A 201 4.665 7.229 4.518 1.00 0.00 N ATOM 1144 CA LYS A 201 5.773 8.146 4.288 1.00 0.00 C ATOM 1145 C LYS A 201 6.630 7.671 3.111 1.00 0.00 C ATOM 1146 O LYS A 201 7.647 7.013 3.312 1.00 0.00 O ATOM 1147 CB LYS A 201 6.607 8.294 5.575 1.00 0.00 C ATOM 1148 CG LYS A 201 6.064 9.339 6.563 1.00 0.00 C ATOM 1149 CD LYS A 201 4.582 9.149 6.893 1.00 0.00 C ATOM 1150 CE LYS A 201 4.102 10.105 7.987 1.00 0.00 C ATOM 1151 NZ LYS A 201 2.673 9.883 8.274 1.00 0.00 N ATOM 0 H LYS A 201 4.719 6.754 5.419 1.00 0.00 H new ATOM 0 HA LYS A 201 5.377 9.127 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 201 6.655 7.327 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.628 8.563 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 201 6.643 9.292 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.211 10.335 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 201 3.989 9.305 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.412 8.121 7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 201 4.689 9.955 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 201 4.260 11.137 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 2.185 10.799 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 2.249 9.317 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 2.575 9.376 9.177 1.00 0.00 H new ATOM 1165 N ARG A 202 6.221 8.027 1.889 1.00 0.00 N ATOM 1166 CA ARG A 202 6.887 7.707 0.630 1.00 0.00 C ATOM 1167 C ARG A 202 8.413 7.784 0.771 1.00 0.00 C ATOM 1168 O ARG A 202 9.106 6.818 0.470 1.00 0.00 O ATOM 1169 CB ARG A 202 6.379 8.675 -0.449 1.00 0.00 C ATOM 1170 CG ARG A 202 6.914 8.314 -1.846 1.00 0.00 C ATOM 1171 CD ARG A 202 7.047 9.549 -2.747 1.00 0.00 C ATOM 1172 NE ARG A 202 7.932 10.571 -2.164 1.00 0.00 N ATOM 1173 CZ ARG A 202 9.253 10.445 -1.964 1.00 0.00 C ATOM 1174 NH1 ARG A 202 9.912 9.371 -2.409 1.00 0.00 N ATOM 1175 NH2 ARG A 202 9.913 11.402 -1.304 1.00 0.00 N ATOM 0 H ARG A 202 5.372 8.574 1.748 1.00 0.00 H new ATOM 0 HA ARG A 202 6.651 6.682 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.289 8.662 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.682 9.691 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 202 7.886 7.830 -1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.245 7.593 -2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 202 7.435 9.247 -3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 202 6.060 9.980 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 202 7.503 11.454 -1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 202 9.411 8.635 -2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 202 10.916 9.287 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 202 9.412 12.220 -0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 202 10.917 11.314 -1.148 1.00 0.00 H new ATOM 1189 N GLU A 203 8.935 8.919 1.243 1.00 0.00 N ATOM 1190 CA GLU A 203 10.365 9.147 1.435 1.00 0.00 C ATOM 1191 C GLU A 203 11.059 7.987 2.163 1.00 0.00 C ATOM 1192 O GLU A 203 12.191 7.640 1.828 1.00 0.00 O ATOM 1193 CB GLU A 203 10.551 10.479 2.184 1.00 0.00 C ATOM 1194 CG GLU A 203 12.013 10.862 2.476 1.00 0.00 C ATOM 1195 CD GLU A 203 12.876 11.092 1.234 1.00 0.00 C ATOM 1196 OE1 GLU A 203 12.297 11.327 0.151 1.00 0.00 O ATOM 1197 OE2 GLU A 203 14.115 11.062 1.407 1.00 0.00 O ATOM 0 H GLU A 203 8.361 9.720 1.507 1.00 0.00 H new ATOM 0 HA GLU A 203 10.844 9.202 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.093 11.275 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 203 10.009 10.426 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 203 12.022 11.769 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 203 12.467 10.074 3.076 1.00 0.00 H new ATOM 1204 N ALA A 204 10.394 7.366 3.144 1.00 0.00 N ATOM 1205 CA ALA A 204 10.976 6.270 3.907 1.00 0.00 C ATOM 1206 C ALA A 204 11.356 5.072 3.029 1.00 0.00 C ATOM 1207 O ALA A 204 12.218 4.283 3.410 1.00 0.00 O ATOM 1208 CB ALA A 204 10.066 5.861 5.063 1.00 0.00 C ATOM 0 H ALA A 204 9.445 7.611 3.425 1.00 0.00 H new ATOM 0 HA ALA A 204 11.909 6.641 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.525 5.041 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 204 9.920 6.711 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.102 5.539 4.670 1.00 0.00 H new ATOM 1214 N VAL A 205 10.777 4.946 1.832 1.00 0.00 N ATOM 1215 CA VAL A 205 11.159 3.907 0.882 1.00 0.00 C ATOM 1216 C VAL A 205 12.655 4.009 0.552 1.00 0.00 C ATOM 1217 O VAL A 205 13.277 3.023 0.161 1.00 0.00 O ATOM 1218 CB VAL A 205 10.277 4.031 -0.372 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.840 3.288 -1.586 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.862 3.551 -0.024 1.00 0.00 C ATOM 0 H VAL A 205 10.034 5.560 1.499 1.00 0.00 H new ATOM 0 HA VAL A 205 10.999 2.920 1.317 1.00 0.00 H new ATOM 0 HB VAL A 205 10.254 5.080 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 205 10.169 3.417 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.822 3.690 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.931 2.227 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.223 3.633 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.900 2.511 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.456 4.167 0.778 1.00 0.00 H new ATOM 1230 N GLN A 206 13.242 5.198 0.710 1.00 0.00 N ATOM 1231 CA GLN A 206 14.645 5.450 0.439 1.00 0.00 C ATOM 1232 C GLN A 206 15.515 5.214 1.684 1.00 0.00 C ATOM 1233 O GLN A 206 16.707 5.518 1.657 1.00 0.00 O ATOM 1234 CB GLN A 206 14.770 6.883 -0.090 1.00 0.00 C ATOM 1235 CG GLN A 206 13.878 7.166 -1.311 1.00 0.00 C ATOM 1236 CD GLN A 206 13.675 8.659 -1.552 1.00 0.00 C ATOM 1237 OE1 GLN A 206 12.609 9.075 -1.996 1.00 0.00 O ATOM 1238 NE2 GLN A 206 14.671 9.487 -1.258 1.00 0.00 N ATOM 0 H GLN A 206 12.739 6.023 1.036 1.00 0.00 H new ATOM 0 HA GLN A 206 15.013 4.750 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.513 7.580 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.809 7.074 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 206 14.326 6.716 -2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 206 12.908 6.689 -1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 206 15.548 9.119 -0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 206 14.559 10.491 -1.400 1.00 0.00 H new ATOM 1247 N GLU A 207 14.970 4.659 2.778 1.00 0.00 N ATOM 1248 CA GLU A 207 15.755 4.404 3.988 1.00 0.00 C ATOM 1249 C GLU A 207 16.961 3.494 3.716 1.00 0.00 C ATOM 1250 O GLU A 207 17.965 3.568 4.420 1.00 0.00 O ATOM 1251 CB GLU A 207 14.871 3.858 5.121 1.00 0.00 C ATOM 1252 CG GLU A 207 14.141 4.987 5.863 1.00 0.00 C ATOM 1253 CD GLU A 207 15.086 5.880 6.663 1.00 0.00 C ATOM 1254 OE1 GLU A 207 15.878 5.317 7.449 1.00 0.00 O ATOM 1255 OE2 GLU A 207 15.035 7.112 6.455 1.00 0.00 O ATOM 0 H GLU A 207 13.991 4.380 2.846 1.00 0.00 H new ATOM 0 HA GLU A 207 16.158 5.362 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.141 3.161 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 207 15.486 3.297 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 207 13.597 5.597 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 207 13.402 4.554 6.536 1.00 0.00 H new