USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 369 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 117 THR OG1 : rot 180:sc= -0.651 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.86 X(o=-2.5,f=-2.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.09) USER MOD Single : A 79 CYS SG : rot -14:sc= -1.87! USER MOD Single : A 80 MET CE :methyl -169:sc= -0.202 (180deg=-0.57) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.1) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0467 USER MOD Single : A 90 TYR OH : rot 0:sc= 0.0204 USER MOD Single : A 101 ASN : amide:sc= 1.17 K(o=1.2,f=-0.19) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 107 THR OG1 : rot 174:sc= -0.534 USER MOD Single : A 111 TYR OH : rot -123:sc= 0.0583 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 123 LYS NZ :NH3+ -172:sc= -0.0025 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.535 5.810 -0.910 1.00 0.00 N ATOM 112 CA TRP A 73 7.372 6.172 -0.120 1.00 0.00 C ATOM 113 C TRP A 73 7.761 6.679 1.248 1.00 0.00 C ATOM 114 O TRP A 73 8.850 6.348 1.745 1.00 0.00 O ATOM 115 CB TRP A 73 6.430 4.987 0.011 1.00 0.00 C ATOM 116 CG TRP A 73 5.769 4.635 -1.268 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.055 3.591 -2.081 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.715 5.357 -1.893 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.231 3.608 -3.175 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.400 4.686 -3.080 1.00 0.00 C ATOM 121 CE3 TRP A 73 4.001 6.510 -1.556 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.406 5.124 -3.931 1.00 0.00 C ATOM 123 CZ3 TRP A 73 3.016 6.943 -2.403 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.728 6.250 -3.575 1.00 0.00 C ATOM 0 HA TRP A 73 6.860 6.980 -0.642 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.987 4.124 0.376 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.669 5.214 0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.821 2.853 -1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.238 2.928 -3.935 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.222 7.049 -0.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.175 4.595 -4.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.456 7.833 -2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.944 6.616 -4.221 1.00 0.00 H new ATOM 135 N LYS A 74 6.922 7.527 1.831 1.00 0.00 N ATOM 136 CA LYS A 74 7.152 8.025 3.182 1.00 0.00 C ATOM 137 C LYS A 74 5.919 7.801 4.074 1.00 0.00 C ATOM 138 O LYS A 74 4.809 7.596 3.581 1.00 0.00 O ATOM 139 CB LYS A 74 7.503 9.513 3.195 1.00 0.00 C ATOM 140 CG LYS A 74 6.397 10.402 2.641 1.00 0.00 C ATOM 141 CD LYS A 74 6.629 11.868 2.950 1.00 0.00 C ATOM 142 CE LYS A 74 6.513 12.156 4.444 1.00 0.00 C ATOM 143 NZ LYS A 74 6.607 13.600 4.730 1.00 0.00 N ATOM 0 H LYS A 74 6.075 7.885 1.389 1.00 0.00 H new ATOM 0 HA LYS A 74 7.998 7.461 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.725 9.817 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.411 9.669 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.331 10.266 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.440 10.092 3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.618 12.162 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.905 12.474 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.563 11.772 4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.302 11.627 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.524 13.757 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.524 13.961 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.839 14.102 4.240 1.00 0.00 H new ATOM 157 N VAL A 75 6.143 7.812 5.373 1.00 0.00 N ATOM 158 CA VAL A 75 5.082 7.700 6.370 1.00 0.00 C ATOM 159 C VAL A 75 4.136 8.910 6.288 1.00 0.00 C ATOM 160 O VAL A 75 4.591 10.061 6.230 1.00 0.00 O ATOM 161 CB VAL A 75 5.680 7.609 7.802 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.584 7.539 8.858 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.596 6.401 7.921 1.00 0.00 C ATOM 0 H VAL A 75 7.076 7.900 5.777 1.00 0.00 H new ATOM 0 HA VAL A 75 4.521 6.789 6.161 1.00 0.00 H new ATOM 0 HB VAL A 75 6.261 8.515 7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.036 7.476 9.848 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.964 8.433 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.967 6.657 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.006 6.353 8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.029 5.493 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.411 6.490 7.202 1.00 0.00 H new ATOM 173 N GLY A 76 2.846 8.652 6.302 1.00 0.00 N ATOM 174 CA GLY A 76 1.869 9.719 6.242 1.00 0.00 C ATOM 175 C GLY A 76 1.578 10.146 4.827 1.00 0.00 C ATOM 176 O GLY A 76 1.104 11.260 4.581 1.00 0.00 O ATOM 0 H GLY A 76 2.449 7.714 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.945 9.390 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.233 10.575 6.810 1.00 0.00 H new ATOM 180 N ASP A 77 1.878 9.285 3.891 1.00 0.00 N ATOM 181 CA ASP A 77 1.612 9.582 2.500 1.00 0.00 C ATOM 182 C ASP A 77 0.363 8.892 2.133 1.00 0.00 C ATOM 183 O ASP A 77 0.009 7.865 2.747 1.00 0.00 O ATOM 184 CB ASP A 77 2.693 9.031 1.605 1.00 0.00 C ATOM 185 CG ASP A 77 2.911 9.851 0.343 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.001 9.973 -0.487 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.001 10.426 0.187 1.00 0.00 O ATOM 0 H ASP A 77 2.305 8.374 4.061 1.00 0.00 H new ATOM 0 HA ASP A 77 1.557 10.664 2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.628 8.983 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.437 8.009 1.325 1.00 0.00 H new ATOM 192 N LYS A 78 -0.299 9.390 1.160 1.00 0.00 N ATOM 193 CA LYS A 78 -1.458 8.736 0.714 1.00 0.00 C ATOM 194 C LYS A 78 -1.075 7.951 -0.493 1.00 0.00 C ATOM 195 O LYS A 78 -0.491 8.476 -1.437 1.00 0.00 O ATOM 196 CB LYS A 78 -2.582 9.714 0.375 1.00 0.00 C ATOM 197 CG LYS A 78 -3.064 10.570 1.529 1.00 0.00 C ATOM 198 CD LYS A 78 -3.709 9.748 2.637 1.00 0.00 C ATOM 199 CE LYS A 78 -4.353 10.645 3.697 1.00 0.00 C ATOM 200 NZ LYS A 78 -3.388 11.587 4.321 1.00 0.00 N ATOM 0 H LYS A 78 -0.057 10.246 0.661 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.843 8.094 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.241 10.371 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.428 9.149 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.222 11.129 1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.782 11.302 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.464 9.088 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.957 9.112 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.164 11.213 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.797 10.021 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.875 12.156 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.617 11.050 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.995 12.215 3.591 1.00 0.00 H new ATOM 214 N CYS A 79 -1.423 6.745 -0.481 1.00 0.00 N ATOM 215 CA CYS A 79 -1.100 5.868 -1.549 1.00 0.00 C ATOM 216 C CYS A 79 -2.280 5.013 -1.871 1.00 0.00 C ATOM 217 O CYS A 79 -3.275 4.998 -1.147 1.00 0.00 O ATOM 218 CB CYS A 79 0.087 4.986 -1.158 1.00 0.00 C ATOM 219 SG CYS A 79 -0.183 4.026 0.359 1.00 0.00 S ATOM 0 H CYS A 79 -1.951 6.311 0.276 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.832 6.457 -2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.304 4.300 -1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.968 5.615 -1.027 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.221 4.492 0.988 1.00 0.00 H new ATOM 225 N MET A 80 -2.197 4.338 -2.949 1.00 0.00 N ATOM 226 CA MET A 80 -3.199 3.399 -3.304 1.00 0.00 C ATOM 227 C MET A 80 -2.603 2.071 -3.069 1.00 0.00 C ATOM 228 O MET A 80 -1.503 1.791 -3.546 1.00 0.00 O ATOM 229 CB MET A 80 -3.588 3.529 -4.764 1.00 0.00 C ATOM 230 CG MET A 80 -4.025 4.920 -5.150 1.00 0.00 C ATOM 231 SD MET A 80 -5.563 5.442 -4.370 1.00 0.00 S ATOM 232 CE MET A 80 -6.714 4.289 -5.102 1.00 0.00 C ATOM 0 H MET A 80 -1.431 4.417 -3.618 1.00 0.00 H new ATOM 0 HA MET A 80 -4.104 3.561 -2.718 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.741 3.238 -5.385 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.396 2.830 -4.980 1.00 0.00 H new ATOM 0 HG2 MET A 80 -3.237 5.625 -4.885 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.144 4.966 -6.233 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.734 4.600 -4.876 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.572 4.269 -6.182 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.540 3.293 -4.695 1.00 0.00 H new ATOM 242 N ALA A 81 -3.288 1.276 -2.362 1.00 0.00 N ATOM 243 CA ALA A 81 -2.819 -0.026 -2.015 1.00 0.00 C ATOM 244 C ALA A 81 -3.749 -1.039 -2.570 1.00 0.00 C ATOM 245 O ALA A 81 -4.935 -0.765 -2.741 1.00 0.00 O ATOM 246 CB ALA A 81 -2.733 -0.175 -0.507 1.00 0.00 C ATOM 0 H ALA A 81 -4.212 1.500 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.822 -0.172 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.374 -1.174 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.043 0.568 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.720 -0.026 -0.070 1.00 0.00 H new ATOM 252 N VAL A 82 -3.234 -2.183 -2.865 1.00 0.00 N ATOM 253 CA VAL A 82 -4.039 -3.254 -3.354 1.00 0.00 C ATOM 254 C VAL A 82 -4.563 -3.991 -2.157 1.00 0.00 C ATOM 255 O VAL A 82 -3.793 -4.551 -1.402 1.00 0.00 O ATOM 256 CB VAL A 82 -3.213 -4.220 -4.250 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.068 -5.372 -4.761 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.581 -3.470 -5.413 1.00 0.00 C ATOM 0 H VAL A 82 -2.242 -2.405 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.850 -2.861 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.417 -4.640 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.460 -6.028 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.461 -5.936 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.896 -4.977 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.008 -4.166 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.363 -3.012 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.918 -2.694 -5.029 1.00 0.00 H new ATOM 268 N TRP A 83 -5.857 -3.940 -1.966 1.00 0.00 N ATOM 269 CA TRP A 83 -6.488 -4.588 -0.860 1.00 0.00 C ATOM 270 C TRP A 83 -6.376 -6.061 -1.068 1.00 0.00 C ATOM 271 O TRP A 83 -6.947 -6.599 -2.014 1.00 0.00 O ATOM 272 CB TRP A 83 -7.958 -4.181 -0.754 1.00 0.00 C ATOM 273 CG TRP A 83 -8.597 -4.574 0.554 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.973 -4.681 1.750 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.971 -4.873 0.809 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.839 -5.046 2.719 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.073 -5.168 2.182 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.115 -4.929 0.027 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.264 -5.515 2.781 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.304 -5.275 0.631 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.362 -5.565 1.997 1.00 0.00 C ATOM 0 H TRP A 83 -6.501 -3.443 -2.581 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.999 -4.294 0.069 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.038 -3.101 -0.879 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.514 -4.638 -1.573 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.920 -4.498 1.908 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.601 -5.204 3.698 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.075 -4.707 -1.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.317 -5.738 3.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.206 -5.323 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.310 -5.836 2.437 1.00 0.00 H new ATOM 292 N SER A 84 -5.667 -6.697 -0.193 1.00 0.00 N ATOM 293 CA SER A 84 -5.362 -8.108 -0.276 1.00 0.00 C ATOM 294 C SER A 84 -6.653 -8.971 -0.239 1.00 0.00 C ATOM 295 O SER A 84 -6.646 -10.142 -0.634 1.00 0.00 O ATOM 296 CB SER A 84 -4.387 -8.469 0.866 1.00 0.00 C ATOM 297 OG SER A 84 -3.816 -9.770 0.726 1.00 0.00 O ATOM 0 H SER A 84 -5.267 -6.244 0.629 1.00 0.00 H new ATOM 0 HA SER A 84 -4.884 -8.325 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.587 -7.730 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.915 -8.411 1.818 1.00 0.00 H new ATOM 0 HG SER A 84 -3.208 -9.943 1.475 1.00 0.00 H new ATOM 303 N GLU A 85 -7.751 -8.380 0.198 1.00 0.00 N ATOM 304 CA GLU A 85 -9.020 -9.084 0.268 1.00 0.00 C ATOM 305 C GLU A 85 -9.759 -9.058 -1.063 1.00 0.00 C ATOM 306 O GLU A 85 -10.438 -10.023 -1.423 1.00 0.00 O ATOM 307 CB GLU A 85 -9.903 -8.449 1.297 1.00 0.00 C ATOM 308 CG GLU A 85 -9.365 -8.484 2.700 1.00 0.00 C ATOM 309 CD GLU A 85 -9.308 -9.882 3.258 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.375 -10.440 3.584 1.00 0.00 O ATOM 311 OE2 GLU A 85 -8.207 -10.463 3.350 1.00 0.00 O ATOM 0 H GLU A 85 -7.789 -7.410 0.511 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.795 -10.118 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.076 -7.410 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.872 -8.949 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.366 -8.049 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.991 -7.865 3.342 1.00 0.00 H new ATOM 318 N ASP A 86 -9.644 -7.962 -1.788 1.00 0.00 N ATOM 319 CA ASP A 86 -10.433 -7.812 -3.020 1.00 0.00 C ATOM 320 C ASP A 86 -9.562 -7.857 -4.276 1.00 0.00 C ATOM 321 O ASP A 86 -10.038 -8.149 -5.379 1.00 0.00 O ATOM 322 CB ASP A 86 -11.195 -6.490 -2.957 1.00 0.00 C ATOM 323 CG ASP A 86 -12.219 -6.330 -4.040 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.322 -6.892 -3.909 1.00 0.00 O ATOM 325 OD2 ASP A 86 -11.955 -5.645 -5.020 1.00 0.00 O ATOM 0 H ASP A 86 -9.033 -7.176 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.126 -8.650 -3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.689 -6.412 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.483 -5.667 -3.019 1.00 0.00 H new ATOM 330 N GLY A 87 -8.286 -7.612 -4.096 1.00 0.00 N ATOM 331 CA GLY A 87 -7.343 -7.626 -5.202 1.00 0.00 C ATOM 332 C GLY A 87 -7.335 -6.325 -5.994 1.00 0.00 C ATOM 333 O GLY A 87 -6.695 -6.231 -7.050 1.00 0.00 O ATOM 0 H GLY A 87 -7.869 -7.399 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.342 -7.816 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.588 -8.451 -5.871 1.00 0.00 H new ATOM 337 N GLN A 88 -8.020 -5.323 -5.491 1.00 0.00 N ATOM 338 CA GLN A 88 -8.118 -4.040 -6.179 1.00 0.00 C ATOM 339 C GLN A 88 -7.431 -2.956 -5.394 1.00 0.00 C ATOM 340 O GLN A 88 -7.101 -3.157 -4.230 1.00 0.00 O ATOM 341 CB GLN A 88 -9.570 -3.669 -6.460 1.00 0.00 C ATOM 342 CG GLN A 88 -10.254 -4.540 -7.493 1.00 0.00 C ATOM 343 CD GLN A 88 -9.621 -4.442 -8.866 1.00 0.00 C ATOM 344 OE1 GLN A 88 -9.996 -3.601 -9.672 1.00 0.00 O ATOM 345 NE2 GLN A 88 -8.702 -5.317 -9.166 1.00 0.00 N ATOM 0 H GLN A 88 -8.522 -5.365 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.610 -4.140 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.132 -3.724 -5.528 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.608 -2.632 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.227 -5.578 -7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.304 -4.255 -7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.409 -6.007 -8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.276 -5.312 -10.093 1.00 0.00 H new ATOM 354 N CYS A 89 -7.244 -1.815 -5.998 1.00 0.00 N ATOM 355 CA CYS A 89 -6.523 -0.736 -5.353 1.00 0.00 C ATOM 356 C CYS A 89 -7.462 0.281 -4.724 1.00 0.00 C ATOM 357 O CYS A 89 -8.450 0.695 -5.335 1.00 0.00 O ATOM 358 CB CYS A 89 -5.534 -0.077 -6.316 1.00 0.00 C ATOM 359 SG CYS A 89 -6.248 0.458 -7.882 1.00 0.00 S ATOM 0 H CYS A 89 -7.579 -1.601 -6.938 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.946 -1.174 -4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.088 0.786 -5.822 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.726 -0.779 -6.522 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.324 1.003 -8.617 1.00 0.00 H new ATOM 365 N TYR A 90 -7.145 0.656 -3.502 1.00 0.00 N ATOM 366 CA TYR A 90 -7.931 1.569 -2.692 1.00 0.00 C ATOM 367 C TYR A 90 -6.991 2.552 -2.003 1.00 0.00 C ATOM 368 O TYR A 90 -5.804 2.256 -1.842 1.00 0.00 O ATOM 369 CB TYR A 90 -8.713 0.781 -1.629 1.00 0.00 C ATOM 370 CG TYR A 90 -9.773 -0.170 -2.172 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.427 -1.410 -2.694 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.110 0.173 -2.152 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.377 -2.273 -3.185 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.073 -0.680 -2.641 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.702 -1.905 -3.159 1.00 0.00 C ATOM 376 OH TYR A 90 -12.661 -2.752 -3.677 1.00 0.00 O ATOM 0 H TYR A 90 -6.305 0.324 -3.028 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.635 2.108 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.005 0.207 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.195 1.490 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.388 -1.702 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.406 1.129 -1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.086 -3.232 -3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.114 -0.393 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.230 -3.563 -4.020 1.00 0.00 H new ATOM 386 N GLU A 91 -7.507 3.701 -1.616 1.00 0.00 N ATOM 387 CA GLU A 91 -6.708 4.740 -0.969 1.00 0.00 C ATOM 388 C GLU A 91 -6.385 4.368 0.482 1.00 0.00 C ATOM 389 O GLU A 91 -7.287 4.068 1.295 1.00 0.00 O ATOM 390 CB GLU A 91 -7.422 6.095 -1.046 1.00 0.00 C ATOM 391 CG GLU A 91 -6.693 7.238 -0.356 1.00 0.00 C ATOM 392 CD GLU A 91 -7.443 8.536 -0.462 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.386 8.770 0.330 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.125 9.340 -1.332 1.00 0.00 O ATOM 0 H GLU A 91 -8.489 3.947 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.762 4.823 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.567 6.355 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.413 5.994 -0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.545 6.990 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.704 7.355 -0.798 1.00 0.00 H new ATOM 401 N ALA A 92 -5.115 4.393 0.798 1.00 0.00 N ATOM 402 CA ALA A 92 -4.618 4.033 2.094 1.00 0.00 C ATOM 403 C ALA A 92 -3.454 4.921 2.464 1.00 0.00 C ATOM 404 O ALA A 92 -2.754 5.432 1.593 1.00 0.00 O ATOM 405 CB ALA A 92 -4.169 2.591 2.072 1.00 0.00 C ATOM 0 H ALA A 92 -4.384 4.671 0.143 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.409 4.160 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.790 2.313 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.013 1.951 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.379 2.467 1.331 1.00 0.00 H new ATOM 411 N GLU A 93 -3.243 5.110 3.727 1.00 0.00 N ATOM 412 CA GLU A 93 -2.141 5.908 4.180 1.00 0.00 C ATOM 413 C GLU A 93 -1.083 5.020 4.791 1.00 0.00 C ATOM 414 O GLU A 93 -1.398 4.059 5.502 1.00 0.00 O ATOM 415 CB GLU A 93 -2.590 6.981 5.171 1.00 0.00 C ATOM 416 CG GLU A 93 -1.445 7.859 5.656 1.00 0.00 C ATOM 417 CD GLU A 93 -1.895 8.989 6.514 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.122 8.787 7.711 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.019 10.113 6.004 1.00 0.00 O ATOM 0 H GLU A 93 -3.822 4.721 4.471 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.718 6.425 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.347 7.608 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.061 6.501 6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.738 7.246 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.910 8.257 4.793 1.00 0.00 H new ATOM 426 N ILE A 94 0.145 5.308 4.470 1.00 0.00 N ATOM 427 CA ILE A 94 1.278 4.574 4.986 1.00 0.00 C ATOM 428 C ILE A 94 1.549 4.937 6.439 1.00 0.00 C ATOM 429 O ILE A 94 1.809 6.100 6.769 1.00 0.00 O ATOM 430 CB ILE A 94 2.532 4.851 4.152 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.236 4.528 2.697 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.686 3.997 4.668 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.269 5.010 1.723 1.00 0.00 C ATOM 0 H ILE A 94 0.397 6.066 3.836 1.00 0.00 H new ATOM 0 HA ILE A 94 1.034 3.513 4.925 1.00 0.00 H new ATOM 0 HB ILE A 94 2.815 5.900 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.135 3.448 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.274 4.966 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.579 4.194 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.883 4.243 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.423 2.942 4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.972 4.734 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.356 6.094 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.231 4.553 1.956 1.00 0.00 H new ATOM 445 N GLU A 95 1.518 3.936 7.270 1.00 0.00 N ATOM 446 CA GLU A 95 1.722 4.070 8.700 1.00 0.00 C ATOM 447 C GLU A 95 3.179 3.823 9.063 1.00 0.00 C ATOM 448 O GLU A 95 3.702 4.400 10.026 1.00 0.00 O ATOM 449 CB GLU A 95 0.855 3.053 9.417 1.00 0.00 C ATOM 450 CG GLU A 95 -0.625 3.270 9.229 1.00 0.00 C ATOM 451 CD GLU A 95 -1.182 4.365 10.100 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.018 5.552 9.779 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.812 4.048 11.141 1.00 0.00 O ATOM 0 H GLU A 95 1.346 2.975 6.973 1.00 0.00 H new ATOM 0 HA GLU A 95 1.454 5.083 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.114 2.055 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.084 3.082 10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.820 3.512 8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.152 2.340 9.445 1.00 0.00 H new ATOM 460 N GLU A 96 3.819 2.947 8.313 1.00 0.00 N ATOM 461 CA GLU A 96 5.210 2.584 8.536 1.00 0.00 C ATOM 462 C GLU A 96 5.720 1.857 7.306 1.00 0.00 C ATOM 463 O GLU A 96 4.938 1.230 6.595 1.00 0.00 O ATOM 464 CB GLU A 96 5.338 1.703 9.790 1.00 0.00 C ATOM 465 CG GLU A 96 6.758 1.320 10.153 1.00 0.00 C ATOM 466 CD GLU A 96 6.850 0.605 11.468 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.616 -0.617 11.507 1.00 0.00 O ATOM 468 OE2 GLU A 96 7.164 1.263 12.503 1.00 0.00 O ATOM 0 H GLU A 96 3.388 2.462 7.526 1.00 0.00 H new ATOM 0 HA GLU A 96 5.809 3.479 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.891 2.229 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.758 0.793 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.169 0.684 9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.374 2.219 10.190 1.00 0.00 H new ATOM 475 N ILE A 97 6.997 1.963 7.043 1.00 0.00 N ATOM 476 CA ILE A 97 7.610 1.367 5.877 1.00 0.00 C ATOM 477 C ILE A 97 8.699 0.417 6.320 1.00 0.00 C ATOM 478 O ILE A 97 9.464 0.725 7.230 1.00 0.00 O ATOM 479 CB ILE A 97 8.229 2.484 5.010 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.156 3.465 4.641 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.878 1.931 3.743 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.682 4.791 4.254 1.00 0.00 C ATOM 0 H ILE A 97 7.651 2.471 7.638 1.00 0.00 H new ATOM 0 HA ILE A 97 6.862 0.823 5.300 1.00 0.00 H new ATOM 0 HB ILE A 97 9.011 2.972 5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.571 3.059 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.477 3.584 5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.301 2.751 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.670 1.233 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.127 1.413 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.853 5.451 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.243 5.217 5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.339 4.684 3.391 1.00 0.00 H new ATOM 494 N ASP A 98 8.754 -0.722 5.707 1.00 0.00 N ATOM 495 CA ASP A 98 9.783 -1.690 5.982 1.00 0.00 C ATOM 496 C ASP A 98 10.577 -1.903 4.716 1.00 0.00 C ATOM 497 O ASP A 98 10.222 -2.707 3.868 1.00 0.00 O ATOM 498 CB ASP A 98 9.197 -3.024 6.458 1.00 0.00 C ATOM 499 CG ASP A 98 10.277 -4.012 6.857 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.850 -4.663 5.983 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.584 -4.133 8.078 1.00 0.00 O ATOM 0 H ASP A 98 8.084 -1.015 4.995 1.00 0.00 H new ATOM 0 HA ASP A 98 10.419 -1.313 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.537 -2.847 7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.587 -3.455 5.664 1.00 0.00 H new ATOM 506 N GLU A 99 11.608 -1.131 4.567 1.00 0.00 N ATOM 507 CA GLU A 99 12.473 -1.177 3.399 1.00 0.00 C ATOM 508 C GLU A 99 13.257 -2.487 3.290 1.00 0.00 C ATOM 509 O GLU A 99 13.770 -2.820 2.222 1.00 0.00 O ATOM 510 CB GLU A 99 13.360 0.060 3.345 1.00 0.00 C ATOM 511 CG GLU A 99 12.532 1.334 3.268 1.00 0.00 C ATOM 512 CD GLU A 99 13.340 2.591 3.283 1.00 0.00 C ATOM 513 OE1 GLU A 99 13.654 3.099 4.369 1.00 0.00 O ATOM 514 OE2 GLU A 99 13.643 3.131 2.210 1.00 0.00 O ATOM 0 H GLU A 99 11.888 -0.435 5.258 1.00 0.00 H new ATOM 0 HA GLU A 99 11.838 -1.162 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.997 0.091 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.019 -0.000 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.934 1.311 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.836 1.353 4.106 1.00 0.00 H new ATOM 521 N GLU A 100 13.329 -3.222 4.397 1.00 0.00 N ATOM 522 CA GLU A 100 14.035 -4.492 4.461 1.00 0.00 C ATOM 523 C GLU A 100 13.325 -5.517 3.555 1.00 0.00 C ATOM 524 O GLU A 100 13.961 -6.264 2.805 1.00 0.00 O ATOM 525 CB GLU A 100 14.044 -4.984 5.915 1.00 0.00 C ATOM 526 CG GLU A 100 14.960 -6.167 6.190 1.00 0.00 C ATOM 527 CD GLU A 100 16.407 -5.836 5.940 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.025 -5.145 6.769 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.948 -6.232 4.902 1.00 0.00 O ATOM 0 H GLU A 100 12.895 -2.948 5.279 1.00 0.00 H new ATOM 0 HA GLU A 100 15.062 -4.369 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.340 -4.157 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.027 -5.259 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.836 -6.488 7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.667 -7.006 5.559 1.00 0.00 H new ATOM 536 N ASN A 101 12.005 -5.525 3.616 1.00 0.00 N ATOM 537 CA ASN A 101 11.197 -6.395 2.746 1.00 0.00 C ATOM 538 C ASN A 101 10.696 -5.622 1.557 1.00 0.00 C ATOM 539 O ASN A 101 10.228 -6.198 0.573 1.00 0.00 O ATOM 540 CB ASN A 101 9.976 -6.948 3.481 1.00 0.00 C ATOM 541 CG ASN A 101 10.303 -7.854 4.629 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.407 -9.066 4.470 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.482 -7.291 5.778 1.00 0.00 N ATOM 0 H ASN A 101 11.461 -4.944 4.254 1.00 0.00 H new ATOM 0 HA ASN A 101 11.842 -7.217 2.435 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.381 -6.113 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.355 -7.492 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.719 -7.858 6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.387 -6.280 5.871 1.00 0.00 H new ATOM 550 N GLY A 102 10.794 -4.321 1.645 1.00 0.00 N ATOM 551 CA GLY A 102 10.289 -3.466 0.610 1.00 0.00 C ATOM 552 C GLY A 102 8.792 -3.334 0.730 1.00 0.00 C ATOM 553 O GLY A 102 8.086 -3.119 -0.257 1.00 0.00 O ATOM 0 H GLY A 102 11.223 -3.830 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.755 -2.483 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.549 -3.873 -0.367 1.00 0.00 H new ATOM 557 N THR A 103 8.307 -3.467 1.936 1.00 0.00 N ATOM 558 CA THR A 103 6.908 -3.418 2.205 1.00 0.00 C ATOM 559 C THR A 103 6.549 -2.209 3.043 1.00 0.00 C ATOM 560 O THR A 103 7.418 -1.509 3.542 1.00 0.00 O ATOM 561 CB THR A 103 6.460 -4.715 2.895 1.00 0.00 C ATOM 562 OG1 THR A 103 7.382 -5.026 3.952 1.00 0.00 O ATOM 563 CG2 THR A 103 6.418 -5.873 1.909 1.00 0.00 C ATOM 0 H THR A 103 8.885 -3.614 2.764 1.00 0.00 H new ATOM 0 HA THR A 103 6.380 -3.324 1.256 1.00 0.00 H new ATOM 0 HB THR A 103 5.457 -4.568 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.101 -5.852 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.098 -6.778 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.715 -5.644 1.108 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.411 -6.028 1.487 1.00 0.00 H new ATOM 571 N ALA A 104 5.287 -1.928 3.135 1.00 0.00 N ATOM 572 CA ALA A 104 4.804 -0.859 3.953 1.00 0.00 C ATOM 573 C ALA A 104 3.513 -1.260 4.597 1.00 0.00 C ATOM 574 O ALA A 104 2.707 -1.992 4.006 1.00 0.00 O ATOM 575 CB ALA A 104 4.604 0.402 3.136 1.00 0.00 C ATOM 0 H ALA A 104 4.556 -2.439 2.640 1.00 0.00 H new ATOM 0 HA ALA A 104 5.547 -0.652 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.236 1.199 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.553 0.703 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.878 0.212 2.345 1.00 0.00 H new ATOM 581 N ALA A 105 3.332 -0.818 5.796 1.00 0.00 N ATOM 582 CA ALA A 105 2.132 -1.048 6.516 1.00 0.00 C ATOM 583 C ALA A 105 1.233 0.124 6.264 1.00 0.00 C ATOM 584 O ALA A 105 1.599 1.279 6.541 1.00 0.00 O ATOM 585 CB ALA A 105 2.425 -1.204 7.977 1.00 0.00 C ATOM 0 H ALA A 105 4.028 -0.278 6.309 1.00 0.00 H new ATOM 0 HA ALA A 105 1.648 -1.968 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.495 -1.380 8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.097 -2.050 8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.897 -0.296 8.352 1.00 0.00 H new ATOM 591 N ILE A 106 0.095 -0.143 5.730 1.00 0.00 N ATOM 592 CA ILE A 106 -0.792 0.892 5.301 1.00 0.00 C ATOM 593 C ILE A 106 -2.146 0.721 5.946 1.00 0.00 C ATOM 594 O ILE A 106 -2.523 -0.384 6.326 1.00 0.00 O ATOM 595 CB ILE A 106 -0.924 0.878 3.738 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.442 -0.473 3.228 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.381 1.232 3.056 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.912 -0.490 3.002 1.00 0.00 C ATOM 0 H ILE A 106 -0.254 -1.089 5.575 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.382 1.855 5.607 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.655 1.645 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.935 -0.721 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.183 -1.249 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.244 1.210 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.692 2.231 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.147 0.510 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.213 -1.474 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.427 -0.273 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.175 0.264 2.260 1.00 0.00 H new ATOM 610 N THR A 107 -2.845 1.798 6.107 1.00 0.00 N ATOM 611 CA THR A 107 -4.161 1.773 6.650 1.00 0.00 C ATOM 612 C THR A 107 -5.127 2.421 5.671 1.00 0.00 C ATOM 613 O THR A 107 -4.931 3.562 5.254 1.00 0.00 O ATOM 614 CB THR A 107 -4.190 2.442 8.036 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.321 1.692 8.904 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.596 2.471 8.624 1.00 0.00 C ATOM 0 H THR A 107 -2.512 2.730 5.861 1.00 0.00 H new ATOM 0 HA THR A 107 -4.478 0.741 6.797 1.00 0.00 H new ATOM 0 HB THR A 107 -3.859 3.476 7.938 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.244 2.151 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.571 2.951 9.602 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.256 3.031 7.961 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.967 1.452 8.730 1.00 0.00 H new ATOM 624 N PHE A 108 -6.131 1.669 5.287 1.00 0.00 N ATOM 625 CA PHE A 108 -7.115 2.098 4.325 1.00 0.00 C ATOM 626 C PHE A 108 -7.950 3.208 4.878 1.00 0.00 C ATOM 627 O PHE A 108 -8.589 3.050 5.931 1.00 0.00 O ATOM 628 CB PHE A 108 -7.983 0.927 3.883 1.00 0.00 C ATOM 629 CG PHE A 108 -7.217 -0.098 3.114 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.916 0.134 1.787 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.784 -1.282 3.708 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.197 -0.780 1.053 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.065 -2.204 2.977 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.769 -1.951 1.645 1.00 0.00 C ATOM 0 H PHE A 108 -6.289 0.726 5.641 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.592 2.478 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.429 0.459 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.803 1.299 3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.250 1.048 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.013 -1.478 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.968 -0.582 0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.733 -3.121 3.440 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.204 -2.671 1.071 1.00 0.00 H new ATOM 644 N ALA A 109 -7.954 4.312 4.169 1.00 0.00 N ATOM 645 CA ALA A 109 -8.628 5.500 4.606 1.00 0.00 C ATOM 646 C ALA A 109 -10.126 5.301 4.571 1.00 0.00 C ATOM 647 O ALA A 109 -10.662 4.680 3.645 1.00 0.00 O ATOM 648 CB ALA A 109 -8.210 6.691 3.760 1.00 0.00 C ATOM 0 H ALA A 109 -7.485 4.406 3.268 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.341 5.705 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.731 7.584 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.134 6.841 3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.464 6.503 2.717 1.00 0.00 H new ATOM 654 N GLY A 110 -10.787 5.756 5.596 1.00 0.00 N ATOM 655 CA GLY A 110 -12.214 5.624 5.668 1.00 0.00 C ATOM 656 C GLY A 110 -12.635 4.319 6.307 1.00 0.00 C ATOM 657 O GLY A 110 -13.309 4.322 7.348 1.00 0.00 O ATOM 0 H GLY A 110 -10.360 6.223 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.626 6.456 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.634 5.687 4.664 1.00 0.00 H new ATOM 661 N TYR A 111 -12.232 3.204 5.702 1.00 0.00 N ATOM 662 CA TYR A 111 -12.600 1.891 6.183 1.00 0.00 C ATOM 663 C TYR A 111 -11.909 1.600 7.521 1.00 0.00 C ATOM 664 O TYR A 111 -12.551 1.206 8.488 1.00 0.00 O ATOM 665 CB TYR A 111 -12.207 0.828 5.168 1.00 0.00 C ATOM 666 CG TYR A 111 -12.643 1.081 3.736 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.910 0.739 3.294 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.749 1.612 2.810 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.280 0.925 1.974 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.109 1.805 1.495 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.375 1.459 1.081 1.00 0.00 C ATOM 672 OH TYR A 111 -13.745 1.652 -0.235 1.00 0.00 O ATOM 0 H TYR A 111 -11.644 3.194 4.869 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.680 1.869 6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.122 0.723 5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.624 -0.126 5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.621 0.320 3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.752 1.878 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.272 0.653 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.403 2.225 0.794 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.124 1.174 -0.823 1.00 0.00 H new ATOM 682 N GLY A 112 -10.605 1.816 7.574 1.00 0.00 N ATOM 683 CA GLY A 112 -9.882 1.620 8.815 1.00 0.00 C ATOM 684 C GLY A 112 -9.218 0.253 8.960 1.00 0.00 C ATOM 685 O GLY A 112 -9.078 -0.254 10.080 1.00 0.00 O ATOM 0 H GLY A 112 -10.035 2.122 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.116 2.391 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.571 1.764 9.647 1.00 0.00 H new ATOM 689 N ASN A 113 -8.822 -0.361 7.857 1.00 0.00 N ATOM 690 CA ASN A 113 -8.075 -1.629 7.951 1.00 0.00 C ATOM 691 C ASN A 113 -6.636 -1.379 7.679 1.00 0.00 C ATOM 692 O ASN A 113 -6.290 -0.368 7.083 1.00 0.00 O ATOM 693 CB ASN A 113 -8.540 -2.727 6.998 1.00 0.00 C ATOM 694 CG ASN A 113 -9.915 -3.260 7.260 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.450 -3.160 8.362 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.453 -3.916 6.289 1.00 0.00 N ATOM 0 H ASN A 113 -8.992 -0.025 6.909 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.258 -1.988 8.964 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.506 -2.340 5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.832 -3.554 7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.354 -4.375 6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.977 -3.976 5.389 1.00 0.00 H new ATOM 703 N ALA A 114 -5.807 -2.305 8.045 1.00 0.00 N ATOM 704 CA ALA A 114 -4.393 -2.155 7.884 1.00 0.00 C ATOM 705 C ALA A 114 -3.787 -3.432 7.355 1.00 0.00 C ATOM 706 O ALA A 114 -4.110 -4.538 7.832 1.00 0.00 O ATOM 707 CB ALA A 114 -3.747 -1.763 9.207 1.00 0.00 C ATOM 0 H ALA A 114 -6.091 -3.190 8.465 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.207 -1.360 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.672 -1.653 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.167 -0.818 9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.939 -2.537 9.949 1.00 0.00 H new ATOM 713 N GLU A 115 -2.935 -3.303 6.382 1.00 0.00 N ATOM 714 CA GLU A 115 -2.259 -4.437 5.839 1.00 0.00 C ATOM 715 C GLU A 115 -0.852 -4.050 5.465 1.00 0.00 C ATOM 716 O GLU A 115 -0.543 -2.860 5.327 1.00 0.00 O ATOM 717 CB GLU A 115 -2.993 -5.042 4.630 1.00 0.00 C ATOM 718 CG GLU A 115 -2.949 -4.256 3.339 1.00 0.00 C ATOM 719 CD GLU A 115 -3.371 -5.133 2.186 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.586 -5.351 1.990 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.478 -5.688 1.506 1.00 0.00 O ATOM 0 H GLU A 115 -2.692 -2.413 5.946 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.239 -5.210 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.575 -6.031 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.038 -5.185 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.608 -3.390 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.941 -3.877 3.169 1.00 0.00 H new ATOM 728 N VAL A 116 0.003 -5.024 5.347 1.00 0.00 N ATOM 729 CA VAL A 116 1.352 -4.786 4.925 1.00 0.00 C ATOM 730 C VAL A 116 1.466 -5.197 3.480 1.00 0.00 C ATOM 731 O VAL A 116 1.327 -6.377 3.145 1.00 0.00 O ATOM 732 CB VAL A 116 2.387 -5.550 5.785 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.799 -5.249 5.313 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.237 -5.172 7.241 1.00 0.00 C ATOM 0 H VAL A 116 -0.214 -6.002 5.540 1.00 0.00 H new ATOM 0 HA VAL A 116 1.575 -3.726 5.049 1.00 0.00 H new ATOM 0 HB VAL A 116 2.204 -6.619 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.513 -5.795 5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.908 -5.556 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.991 -4.179 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.971 -5.716 7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.399 -4.100 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.233 -5.427 7.581 1.00 0.00 H new ATOM 744 N THR A 117 1.699 -4.252 2.648 1.00 0.00 N ATOM 745 CA THR A 117 1.733 -4.480 1.234 1.00 0.00 C ATOM 746 C THR A 117 3.046 -3.916 0.667 1.00 0.00 C ATOM 747 O THR A 117 3.567 -2.924 1.192 1.00 0.00 O ATOM 748 CB THR A 117 0.467 -3.875 0.523 1.00 0.00 C ATOM 749 OG1 THR A 117 0.352 -4.357 -0.827 1.00 0.00 O ATOM 750 CG2 THR A 117 0.507 -2.358 0.512 1.00 0.00 C ATOM 0 H THR A 117 1.875 -3.285 2.922 1.00 0.00 H new ATOM 0 HA THR A 117 1.703 -5.552 1.038 1.00 0.00 H new ATOM 0 HB THR A 117 -0.403 -4.199 1.095 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.443 -3.968 -1.247 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.383 -1.974 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.537 -1.987 1.537 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.396 -2.021 -0.022 1.00 0.00 H new ATOM 758 N PRO A 118 3.670 -4.606 -0.309 1.00 0.00 N ATOM 759 CA PRO A 118 4.914 -4.151 -0.913 1.00 0.00 C ATOM 760 C PRO A 118 4.761 -2.783 -1.567 1.00 0.00 C ATOM 761 O PRO A 118 3.692 -2.452 -2.086 1.00 0.00 O ATOM 762 CB PRO A 118 5.222 -5.213 -1.973 1.00 0.00 C ATOM 763 CG PRO A 118 3.934 -5.881 -2.228 1.00 0.00 C ATOM 764 CD PRO A 118 3.184 -5.844 -0.933 1.00 0.00 C ATOM 0 HA PRO A 118 5.705 -4.037 -0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.619 -4.760 -2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.970 -5.921 -1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.379 -5.370 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.087 -6.908 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.106 -5.821 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.397 -6.718 -0.317 1.00 0.00 H new ATOM 772 N LEU A 119 5.825 -2.006 -1.547 1.00 0.00 N ATOM 773 CA LEU A 119 5.865 -0.668 -2.146 1.00 0.00 C ATOM 774 C LEU A 119 5.520 -0.717 -3.625 1.00 0.00 C ATOM 775 O LEU A 119 5.027 0.250 -4.187 1.00 0.00 O ATOM 776 CB LEU A 119 7.242 -0.024 -1.956 1.00 0.00 C ATOM 777 CG LEU A 119 7.722 0.134 -0.513 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.059 0.842 -0.459 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.707 0.870 0.332 1.00 0.00 C ATOM 0 H LEU A 119 6.704 -2.282 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 119 5.118 -0.060 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.976 -0.620 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.226 0.962 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 119 7.842 -0.868 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.377 0.941 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.800 0.264 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.965 1.832 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.082 0.964 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.537 1.863 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.769 0.315 0.340 1.00 0.00 H new ATOM 791 N LEU A 120 5.779 -1.856 -4.239 1.00 0.00 N ATOM 792 CA LEU A 120 5.484 -2.096 -5.644 1.00 0.00 C ATOM 793 C LEU A 120 3.982 -2.039 -5.877 1.00 0.00 C ATOM 794 O LEU A 120 3.525 -1.671 -6.939 1.00 0.00 O ATOM 795 CB LEU A 120 6.076 -3.457 -6.086 1.00 0.00 C ATOM 796 CG LEU A 120 5.329 -4.735 -5.669 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.290 -5.094 -6.706 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.296 -5.885 -5.444 1.00 0.00 C ATOM 0 H LEU A 120 6.207 -2.655 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 120 5.947 -1.317 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.150 -3.452 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.092 -3.522 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 120 4.821 -4.544 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.768 -6.000 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.574 -4.278 -6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.778 -5.263 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.740 -6.775 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.843 -6.086 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.000 -5.620 -4.655 1.00 0.00 H new ATOM 810 N ASN A 121 3.236 -2.379 -4.856 1.00 0.00 N ATOM 811 CA ASN A 121 1.790 -2.410 -4.914 1.00 0.00 C ATOM 812 C ASN A 121 1.193 -1.066 -4.604 1.00 0.00 C ATOM 813 O ASN A 121 -0.014 -0.868 -4.752 1.00 0.00 O ATOM 814 CB ASN A 121 1.208 -3.466 -3.962 1.00 0.00 C ATOM 815 CG ASN A 121 1.171 -4.855 -4.534 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.109 -5.041 -5.736 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.122 -5.831 -3.681 1.00 0.00 N ATOM 0 H ASN A 121 3.617 -2.646 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 121 1.527 -2.680 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.798 -3.478 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.196 -3.172 -3.686 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.029 -6.792 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.177 -5.638 -2.681 1.00 0.00 H new ATOM 824 N LEU A 122 2.018 -0.141 -4.192 1.00 0.00 N ATOM 825 CA LEU A 122 1.554 1.168 -3.845 1.00 0.00 C ATOM 826 C LEU A 122 1.620 2.098 -5.038 1.00 0.00 C ATOM 827 O LEU A 122 2.626 2.147 -5.758 1.00 0.00 O ATOM 828 CB LEU A 122 2.365 1.730 -2.681 1.00 0.00 C ATOM 829 CG LEU A 122 2.262 0.977 -1.364 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.093 1.672 -0.301 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.810 0.869 -0.924 1.00 0.00 C ATOM 0 H LEU A 122 3.024 -0.276 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 122 0.512 1.089 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.414 1.760 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.052 2.760 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 122 2.650 -0.032 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.013 1.125 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.136 1.701 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.728 2.689 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.755 0.327 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.394 1.868 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.239 0.334 -1.683 1.00 0.00 H new ATOM 843 N LYS A 123 0.537 2.789 -5.271 1.00 0.00 N ATOM 844 CA LYS A 123 0.454 3.761 -6.344 1.00 0.00 C ATOM 845 C LYS A 123 0.262 5.136 -5.737 1.00 0.00 C ATOM 846 O LYS A 123 -0.236 5.243 -4.615 1.00 0.00 O ATOM 847 CB LYS A 123 -0.730 3.488 -7.278 1.00 0.00 C ATOM 848 CG LYS A 123 -0.835 2.091 -7.817 1.00 0.00 C ATOM 849 CD LYS A 123 -1.931 2.026 -8.846 1.00 0.00 C ATOM 850 CE LYS A 123 -2.150 0.617 -9.355 1.00 0.00 C ATOM 851 NZ LYS A 123 -0.915 0.013 -9.909 1.00 0.00 N ATOM 0 H LYS A 123 -0.319 2.698 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 123 1.374 3.696 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.651 3.720 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.669 4.177 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.113 1.790 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.042 1.393 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.858 2.403 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.682 2.679 -9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.521 -0.006 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.921 0.629 -10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.146 -0.893 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.498 0.657 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.233 -0.150 -9.141 1.00 0.00 H new ATOM 865 N PRO A 124 0.632 6.197 -6.444 1.00 0.00 N ATOM 866 CA PRO A 124 0.372 7.556 -5.990 1.00 0.00 C ATOM 867 C PRO A 124 -1.104 7.905 -6.176 1.00 0.00 C ATOM 868 O PRO A 124 -1.725 7.515 -7.185 1.00 0.00 O ATOM 869 CB PRO A 124 1.259 8.419 -6.888 1.00 0.00 C ATOM 870 CG PRO A 124 1.481 7.609 -8.127 1.00 0.00 C ATOM 871 CD PRO A 124 1.334 6.160 -7.740 1.00 0.00 C ATOM 0 HA PRO A 124 0.587 7.702 -4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.776 9.368 -7.121 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.204 8.654 -6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.758 7.877 -8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.472 7.799 -8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.764 5.605 -8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.304 5.671 -7.653 1.00 0.00 H new