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= -0.577 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.76 X(o=-2.3,f=-2.4!) USER MOD Set 2.1: A 80 MET CE :methyl 154:sc= -0.23 (180deg=-1.01) USER MOD Set 2.2: A 89 CYS SG : rot 160:sc= 0.803 USER MOD Set 2.3: A 123 LYS NZ :NH3+ -177:sc= 0.916 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 1.32 (180deg=1.09) USER MOD Single : A 79 CYS SG : rot -14:sc= -1.7! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.13) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.66 K(o=0.66,f=-0.26) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.625 USER MOD Single : A 111 TYR OH : rot -138:sc= 0.0313 USER MOD Single : A 113 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.288 6.118 -1.032 1.00 0.00 N ATOM 112 CA TRP A 73 7.182 6.351 -0.149 1.00 0.00 C ATOM 113 C TRP A 73 7.693 6.694 1.231 1.00 0.00 C ATOM 114 O TRP A 73 8.737 6.171 1.648 1.00 0.00 O ATOM 115 CB TRP A 73 6.330 5.092 -0.059 1.00 0.00 C ATOM 116 CG TRP A 73 5.688 4.682 -1.349 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.022 3.618 -2.133 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.606 5.342 -2.008 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.188 3.557 -3.222 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.319 4.612 -3.173 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.846 6.476 -1.718 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.306 4.981 -4.047 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.845 6.840 -2.587 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.586 6.094 -3.736 1.00 0.00 C ATOM 0 HA TRP A 73 6.586 7.177 -0.536 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.953 4.272 0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.550 5.249 0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.825 2.925 -1.928 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.213 2.842 -3.949 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.041 7.056 -0.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.097 4.408 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.250 7.717 -2.377 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.792 6.408 -4.398 1.00 0.00 H new ATOM 135 N LYS A 74 7.001 7.571 1.922 1.00 0.00 N ATOM 136 CA LYS A 74 7.333 7.911 3.288 1.00 0.00 C ATOM 137 C LYS A 74 6.099 7.781 4.175 1.00 0.00 C ATOM 138 O LYS A 74 4.969 7.669 3.679 1.00 0.00 O ATOM 139 CB LYS A 74 7.910 9.328 3.413 1.00 0.00 C ATOM 140 CG LYS A 74 6.969 10.417 2.940 1.00 0.00 C ATOM 141 CD LYS A 74 7.444 11.801 3.308 1.00 0.00 C ATOM 142 CE LYS A 74 7.380 12.025 4.812 1.00 0.00 C ATOM 143 NZ LYS A 74 7.656 13.423 5.174 1.00 0.00 N ATOM 0 H LYS A 74 6.191 8.070 1.553 1.00 0.00 H new ATOM 0 HA LYS A 74 8.102 7.211 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.170 9.513 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.835 9.385 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.860 10.351 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.982 10.250 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.468 11.941 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.830 12.545 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.393 11.744 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.101 11.374 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.602 13.531 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.608 13.685 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.953 14.043 4.724 1.00 0.00 H new ATOM 157 N VAL A 75 6.317 7.767 5.474 1.00 0.00 N ATOM 158 CA VAL A 75 5.232 7.705 6.432 1.00 0.00 C ATOM 159 C VAL A 75 4.370 8.956 6.306 1.00 0.00 C ATOM 160 O VAL A 75 4.883 10.084 6.334 1.00 0.00 O ATOM 161 CB VAL A 75 5.772 7.576 7.888 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.641 7.612 8.913 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.566 6.291 8.038 1.00 0.00 C ATOM 0 H VAL A 75 7.246 7.798 5.894 1.00 0.00 H new ATOM 0 HA VAL A 75 4.632 6.821 6.216 1.00 0.00 H new ATOM 0 HB VAL A 75 6.423 8.430 8.077 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.056 7.519 9.917 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.103 8.556 8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.955 6.786 8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.939 6.211 9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.923 5.438 7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.407 6.300 7.344 1.00 0.00 H new ATOM 173 N GLY A 76 3.087 8.760 6.152 1.00 0.00 N ATOM 174 CA GLY A 76 2.187 9.872 6.021 1.00 0.00 C ATOM 175 C GLY A 76 1.756 10.092 4.593 1.00 0.00 C ATOM 176 O GLY A 76 0.936 10.978 4.312 1.00 0.00 O ATOM 0 H GLY A 76 2.644 7.842 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.308 9.700 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.670 10.774 6.396 1.00 0.00 H new ATOM 180 N ASP A 77 2.313 9.319 3.682 1.00 0.00 N ATOM 181 CA ASP A 77 1.934 9.421 2.277 1.00 0.00 C ATOM 182 C ASP A 77 0.625 8.749 2.011 1.00 0.00 C ATOM 183 O ASP A 77 0.256 7.763 2.682 1.00 0.00 O ATOM 184 CB ASP A 77 2.971 8.815 1.329 1.00 0.00 C ATOM 185 CG ASP A 77 4.113 9.737 0.969 1.00 0.00 C ATOM 186 OD1 ASP A 77 3.892 10.978 0.873 1.00 0.00 O ATOM 187 OD2 ASP A 77 5.231 9.242 0.702 1.00 0.00 O ATOM 0 H ASP A 77 3.025 8.617 3.882 1.00 0.00 H new ATOM 0 HA ASP A 77 1.861 10.491 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.380 7.914 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.469 8.506 0.412 1.00 0.00 H new ATOM 192 N LYS A 78 -0.075 9.271 1.046 1.00 0.00 N ATOM 193 CA LYS A 78 -1.283 8.674 0.590 1.00 0.00 C ATOM 194 C LYS A 78 -0.927 7.844 -0.594 1.00 0.00 C ATOM 195 O LYS A 78 -0.238 8.306 -1.511 1.00 0.00 O ATOM 196 CB LYS A 78 -2.312 9.714 0.157 1.00 0.00 C ATOM 197 CG LYS A 78 -2.794 10.651 1.234 1.00 0.00 C ATOM 198 CD LYS A 78 -3.608 9.954 2.310 1.00 0.00 C ATOM 199 CE LYS A 78 -4.261 10.998 3.210 1.00 0.00 C ATOM 200 NZ LYS A 78 -4.953 10.405 4.371 1.00 0.00 N ATOM 0 H LYS A 78 0.183 10.127 0.555 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.725 8.093 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.882 10.309 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.175 9.193 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.935 11.138 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.399 11.436 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.371 9.324 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.966 9.300 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.499 11.693 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.975 11.578 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.530 11.132 4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.567 9.630 4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.250 10.035 5.042 1.00 0.00 H new ATOM 214 N CYS A 79 -1.372 6.670 -0.591 1.00 0.00 N ATOM 215 CA CYS A 79 -1.100 5.774 -1.653 1.00 0.00 C ATOM 216 C CYS A 79 -2.325 4.977 -1.927 1.00 0.00 C ATOM 217 O CYS A 79 -3.315 5.068 -1.197 1.00 0.00 O ATOM 218 CB CYS A 79 0.052 4.845 -1.271 1.00 0.00 C ATOM 219 SG CYS A 79 -0.235 3.900 0.249 1.00 0.00 S ATOM 0 H CYS A 79 -1.948 6.280 0.155 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.813 6.332 -2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.231 4.149 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.959 5.438 -1.152 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.248 4.405 0.889 1.00 0.00 H new ATOM 225 N MET A 80 -2.300 4.248 -2.966 1.00 0.00 N ATOM 226 CA MET A 80 -3.351 3.343 -3.226 1.00 0.00 C ATOM 227 C MET A 80 -2.767 1.993 -3.107 1.00 0.00 C ATOM 228 O MET A 80 -1.724 1.716 -3.690 1.00 0.00 O ATOM 229 CB MET A 80 -3.999 3.533 -4.598 1.00 0.00 C ATOM 230 CG MET A 80 -4.446 4.950 -4.877 1.00 0.00 C ATOM 231 SD MET A 80 -5.569 5.082 -6.282 1.00 0.00 S ATOM 232 CE MET A 80 -6.973 4.158 -5.654 1.00 0.00 C ATOM 0 H MET A 80 -1.555 4.257 -3.663 1.00 0.00 H new ATOM 0 HA MET A 80 -4.159 3.511 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.290 3.228 -5.368 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.860 2.869 -4.677 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.937 5.350 -3.990 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.569 5.570 -5.063 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.884 4.503 -6.143 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.831 3.097 -5.859 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.058 4.312 -4.578 1.00 0.00 H new ATOM 242 N ALA A 81 -3.399 1.179 -2.361 1.00 0.00 N ATOM 243 CA ALA A 81 -2.908 -0.121 -2.098 1.00 0.00 C ATOM 244 C ALA A 81 -3.879 -1.102 -2.623 1.00 0.00 C ATOM 245 O ALA A 81 -5.073 -0.807 -2.712 1.00 0.00 O ATOM 246 CB ALA A 81 -2.740 -0.311 -0.610 1.00 0.00 C ATOM 0 H ALA A 81 -4.286 1.395 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.940 -0.261 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.362 -1.314 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.034 0.426 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.703 -0.182 -0.116 1.00 0.00 H new ATOM 252 N VAL A 82 -3.393 -2.236 -2.989 1.00 0.00 N ATOM 253 CA VAL A 82 -4.229 -3.278 -3.474 1.00 0.00 C ATOM 254 C VAL A 82 -4.704 -4.055 -2.282 1.00 0.00 C ATOM 255 O VAL A 82 -3.903 -4.664 -1.583 1.00 0.00 O ATOM 256 CB VAL A 82 -3.459 -4.213 -4.448 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.359 -5.323 -4.980 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.866 -3.414 -5.599 1.00 0.00 C ATOM 0 H VAL A 82 -2.400 -2.468 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.066 -2.856 -4.030 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.647 -4.678 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.790 -5.959 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.730 -5.921 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.201 -4.884 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.331 -4.086 -6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.666 -2.916 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.176 -2.668 -5.206 1.00 0.00 H new ATOM 268 N TRP A 83 -5.992 -3.987 -2.032 1.00 0.00 N ATOM 269 CA TRP A 83 -6.588 -4.662 -0.923 1.00 0.00 C ATOM 270 C TRP A 83 -6.498 -6.117 -1.200 1.00 0.00 C ATOM 271 O TRP A 83 -7.112 -6.596 -2.156 1.00 0.00 O ATOM 272 CB TRP A 83 -8.055 -4.259 -0.766 1.00 0.00 C ATOM 273 CG TRP A 83 -8.655 -4.671 0.552 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.995 -4.792 1.729 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.028 -4.966 0.841 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.844 -5.163 2.723 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.103 -5.270 2.214 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.199 -5.009 0.084 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.294 -5.613 2.840 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.384 -5.349 0.714 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.415 -5.645 2.079 1.00 0.00 C ATOM 0 H TRP A 83 -6.651 -3.456 -2.601 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.071 -4.400 0.000 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.139 -3.177 -0.872 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.634 -4.705 -1.575 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.937 -4.617 1.860 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.581 -5.334 3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.182 -4.782 -0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.326 -5.846 3.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.299 -5.386 0.141 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.356 -5.906 2.540 1.00 0.00 H new ATOM 292 N SER A 84 -5.769 -6.815 -0.385 1.00 0.00 N ATOM 293 CA SER A 84 -5.515 -8.227 -0.595 1.00 0.00 C ATOM 294 C SER A 84 -6.818 -9.054 -0.531 1.00 0.00 C ATOM 295 O SER A 84 -6.882 -10.182 -1.021 1.00 0.00 O ATOM 296 CB SER A 84 -4.461 -8.737 0.410 1.00 0.00 C ATOM 297 OG SER A 84 -4.037 -10.063 0.103 1.00 0.00 O ATOM 0 H SER A 84 -5.327 -6.431 0.450 1.00 0.00 H new ATOM 0 HA SER A 84 -5.112 -8.356 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.600 -8.069 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.877 -8.712 1.417 1.00 0.00 H new ATOM 0 HG SER A 84 -3.369 -10.353 0.759 1.00 0.00 H new ATOM 303 N GLU A 85 -7.863 -8.472 0.030 1.00 0.00 N ATOM 304 CA GLU A 85 -9.129 -9.161 0.141 1.00 0.00 C ATOM 305 C GLU A 85 -9.912 -9.108 -1.172 1.00 0.00 C ATOM 306 O GLU A 85 -10.537 -10.092 -1.564 1.00 0.00 O ATOM 307 CB GLU A 85 -9.970 -8.544 1.230 1.00 0.00 C ATOM 308 CG GLU A 85 -9.335 -8.535 2.605 1.00 0.00 C ATOM 309 CD GLU A 85 -9.124 -9.907 3.187 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.077 -10.463 3.774 1.00 0.00 O ATOM 311 OE2 GLU A 85 -8.005 -10.455 3.097 1.00 0.00 O ATOM 0 H GLU A 85 -7.857 -7.527 0.414 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.910 -10.201 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.205 -7.517 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.916 -9.083 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.374 -8.023 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.964 -7.957 3.282 1.00 0.00 H new ATOM 318 N ASP A 86 -9.877 -7.967 -1.850 1.00 0.00 N ATOM 319 CA ASP A 86 -10.708 -7.797 -3.057 1.00 0.00 C ATOM 320 C ASP A 86 -9.869 -7.798 -4.332 1.00 0.00 C ATOM 321 O ASP A 86 -10.374 -8.036 -5.425 1.00 0.00 O ATOM 322 CB ASP A 86 -11.520 -6.504 -2.949 1.00 0.00 C ATOM 323 CG ASP A 86 -12.588 -6.361 -4.012 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.680 -6.953 -3.856 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.377 -5.629 -4.988 1.00 0.00 O ATOM 0 H ASP A 86 -9.303 -7.161 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.387 -8.647 -3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.991 -6.463 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.841 -5.654 -3.013 1.00 0.00 H new ATOM 330 N GLY A 87 -8.590 -7.553 -4.181 1.00 0.00 N ATOM 331 CA GLY A 87 -7.679 -7.551 -5.314 1.00 0.00 C ATOM 332 C GLY A 87 -7.680 -6.241 -6.080 1.00 0.00 C ATOM 333 O GLY A 87 -7.129 -6.158 -7.174 1.00 0.00 O ATOM 0 H GLY A 87 -8.149 -7.351 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.669 -7.757 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.950 -8.361 -5.991 1.00 0.00 H new ATOM 337 N GLN A 88 -8.302 -5.227 -5.523 1.00 0.00 N ATOM 338 CA GLN A 88 -8.375 -3.920 -6.172 1.00 0.00 C ATOM 339 C GLN A 88 -7.631 -2.873 -5.380 1.00 0.00 C ATOM 340 O GLN A 88 -7.275 -3.113 -4.235 1.00 0.00 O ATOM 341 CB GLN A 88 -9.815 -3.501 -6.415 1.00 0.00 C ATOM 342 CG GLN A 88 -10.533 -4.318 -7.467 1.00 0.00 C ATOM 343 CD GLN A 88 -9.923 -4.193 -8.859 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.297 -3.316 -9.645 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.001 -5.048 -9.181 1.00 0.00 N ATOM 0 H GLN A 88 -8.770 -5.274 -4.618 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.889 -4.010 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.365 -3.574 -5.477 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.831 -2.453 -6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.525 -5.366 -7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.577 -4.006 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.711 -5.762 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.566 -5.006 -10.103 1.00 0.00 H new ATOM 354 N CYS A 89 -7.439 -1.713 -5.962 1.00 0.00 N ATOM 355 CA CYS A 89 -6.681 -0.664 -5.312 1.00 0.00 C ATOM 356 C CYS A 89 -7.591 0.369 -4.665 1.00 0.00 C ATOM 357 O CYS A 89 -8.568 0.817 -5.265 1.00 0.00 O ATOM 358 CB CYS A 89 -5.697 -0.012 -6.287 1.00 0.00 C ATOM 359 SG CYS A 89 -6.442 0.629 -7.808 1.00 0.00 S ATOM 0 H CYS A 89 -7.797 -1.469 -6.886 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.101 -1.125 -4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.190 0.806 -5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.934 -0.743 -6.554 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.647 1.506 -8.345 1.00 0.00 H new ATOM 365 N TYR A 90 -7.262 0.726 -3.442 1.00 0.00 N ATOM 366 CA TYR A 90 -8.026 1.663 -2.628 1.00 0.00 C ATOM 367 C TYR A 90 -7.067 2.625 -1.951 1.00 0.00 C ATOM 368 O TYR A 90 -5.885 2.305 -1.804 1.00 0.00 O ATOM 369 CB TYR A 90 -8.823 0.905 -1.563 1.00 0.00 C ATOM 370 CG TYR A 90 -9.885 -0.035 -2.108 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.540 -1.290 -2.598 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.223 0.326 -2.122 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.486 -2.150 -3.092 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.182 -0.534 -2.615 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.805 -1.771 -3.101 1.00 0.00 C ATOM 376 OH TYR A 90 -12.751 -2.627 -3.603 1.00 0.00 O ATOM 0 H TYR A 90 -6.434 0.366 -2.968 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.719 2.213 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.128 0.329 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.303 1.629 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.504 -1.594 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.518 1.293 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.196 -3.119 -3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.222 -0.242 -2.621 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.636 -2.211 -3.537 1.00 0.00 H new ATOM 386 N GLU A 91 -7.556 3.784 -1.550 1.00 0.00 N ATOM 387 CA GLU A 91 -6.717 4.798 -0.921 1.00 0.00 C ATOM 388 C GLU A 91 -6.358 4.399 0.508 1.00 0.00 C ATOM 389 O GLU A 91 -7.230 4.087 1.341 1.00 0.00 O ATOM 390 CB GLU A 91 -7.395 6.174 -0.955 1.00 0.00 C ATOM 391 CG GLU A 91 -6.603 7.289 -0.271 1.00 0.00 C ATOM 392 CD GLU A 91 -7.285 8.628 -0.363 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.120 8.939 0.507 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.005 9.392 -1.319 1.00 0.00 O ATOM 0 H GLU A 91 -8.535 4.051 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.792 4.869 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.568 6.454 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.372 6.095 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.455 7.033 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.614 7.358 -0.725 1.00 0.00 H new ATOM 401 N ALA A 92 -5.089 4.420 0.780 1.00 0.00 N ATOM 402 CA ALA A 92 -4.551 4.029 2.048 1.00 0.00 C ATOM 403 C ALA A 92 -3.398 4.927 2.408 1.00 0.00 C ATOM 404 O ALA A 92 -2.701 5.435 1.531 1.00 0.00 O ATOM 405 CB ALA A 92 -4.085 2.596 1.980 1.00 0.00 C ATOM 0 H ALA A 92 -4.380 4.717 0.109 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.323 4.118 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.676 2.300 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.927 1.951 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.315 2.500 1.215 1.00 0.00 H new ATOM 411 N GLU A 93 -3.197 5.131 3.665 1.00 0.00 N ATOM 412 CA GLU A 93 -2.126 5.960 4.120 1.00 0.00 C ATOM 413 C GLU A 93 -1.045 5.096 4.724 1.00 0.00 C ATOM 414 O GLU A 93 -1.335 4.142 5.454 1.00 0.00 O ATOM 415 CB GLU A 93 -2.637 6.989 5.117 1.00 0.00 C ATOM 416 CG GLU A 93 -1.583 7.975 5.591 1.00 0.00 C ATOM 417 CD GLU A 93 -2.175 9.058 6.440 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.730 10.013 5.880 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.105 8.978 7.670 1.00 0.00 O ATOM 0 H GLU A 93 -3.768 4.730 4.409 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.703 6.505 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.458 7.543 4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.046 6.468 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.819 7.445 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.087 8.420 4.728 1.00 0.00 H new ATOM 426 N ILE A 94 0.175 5.391 4.372 1.00 0.00 N ATOM 427 CA ILE A 94 1.322 4.662 4.867 1.00 0.00 C ATOM 428 C ILE A 94 1.633 5.044 6.299 1.00 0.00 C ATOM 429 O ILE A 94 1.902 6.218 6.616 1.00 0.00 O ATOM 430 CB ILE A 94 2.553 4.898 3.993 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.210 4.532 2.560 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.723 4.052 4.502 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.248 4.908 1.558 1.00 0.00 C ATOM 0 H ILE A 94 0.409 6.148 3.730 1.00 0.00 H new ATOM 0 HA ILE A 94 1.068 3.603 4.830 1.00 0.00 H new ATOM 0 HB ILE A 94 2.849 5.946 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.042 3.456 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.271 5.016 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.597 4.225 3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.953 4.331 5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.452 2.997 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.919 4.609 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.401 5.987 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.184 4.404 1.797 1.00 0.00 H new ATOM 445 N GLU A 95 1.603 4.060 7.134 1.00 0.00 N ATOM 446 CA GLU A 95 1.825 4.206 8.545 1.00 0.00 C ATOM 447 C GLU A 95 3.255 3.881 8.921 1.00 0.00 C ATOM 448 O GLU A 95 3.845 4.541 9.760 1.00 0.00 O ATOM 449 CB GLU A 95 0.875 3.291 9.267 1.00 0.00 C ATOM 450 CG GLU A 95 -0.570 3.709 9.141 1.00 0.00 C ATOM 451 CD GLU A 95 -0.894 4.894 10.006 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.147 4.697 11.218 1.00 0.00 O ATOM 453 OE2 GLU A 95 -0.894 6.040 9.517 1.00 0.00 O ATOM 0 H GLU A 95 1.418 3.098 6.850 1.00 0.00 H new ATOM 0 HA GLU A 95 1.648 5.243 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.989 2.280 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.145 3.258 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.788 3.950 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.214 2.873 9.416 1.00 0.00 H new ATOM 460 N GLU A 96 3.812 2.881 8.298 1.00 0.00 N ATOM 461 CA GLU A 96 5.166 2.457 8.602 1.00 0.00 C ATOM 462 C GLU A 96 5.742 1.772 7.383 1.00 0.00 C ATOM 463 O GLU A 96 5.007 1.157 6.622 1.00 0.00 O ATOM 464 CB GLU A 96 5.162 1.506 9.818 1.00 0.00 C ATOM 465 CG GLU A 96 6.537 1.051 10.271 1.00 0.00 C ATOM 466 CD GLU A 96 6.485 0.109 11.439 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.367 -1.112 11.223 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.596 0.564 12.605 1.00 0.00 O ATOM 0 H GLU A 96 3.352 2.335 7.570 1.00 0.00 H new ATOM 0 HA GLU A 96 5.782 3.320 8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.667 2.005 10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.566 0.627 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.045 0.563 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.132 1.923 10.540 1.00 0.00 H new ATOM 475 N ILE A 97 7.022 1.900 7.178 1.00 0.00 N ATOM 476 CA ILE A 97 7.670 1.304 6.035 1.00 0.00 C ATOM 477 C ILE A 97 8.749 0.357 6.500 1.00 0.00 C ATOM 478 O ILE A 97 9.623 0.726 7.279 1.00 0.00 O ATOM 479 CB ILE A 97 8.299 2.389 5.132 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.227 3.335 4.631 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.024 1.761 3.936 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.737 4.691 4.353 1.00 0.00 C ATOM 0 H ILE A 97 7.648 2.418 7.794 1.00 0.00 H new ATOM 0 HA ILE A 97 6.920 0.761 5.460 1.00 0.00 H new ATOM 0 HB ILE A 97 9.026 2.941 5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.785 2.926 3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.430 3.398 5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.457 2.548 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.817 1.105 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.315 1.183 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.921 5.321 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.153 5.117 5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.514 4.638 3.590 1.00 0.00 H new ATOM 494 N ASP A 98 8.665 -0.843 6.049 1.00 0.00 N ATOM 495 CA ASP A 98 9.657 -1.852 6.308 1.00 0.00 C ATOM 496 C ASP A 98 10.538 -1.897 5.091 1.00 0.00 C ATOM 497 O ASP A 98 10.223 -2.558 4.093 1.00 0.00 O ATOM 498 CB ASP A 98 9.012 -3.216 6.521 1.00 0.00 C ATOM 499 CG ASP A 98 10.019 -4.291 6.859 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.800 -4.688 5.979 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.030 -4.765 8.012 1.00 0.00 O ATOM 0 H ASP A 98 7.889 -1.170 5.474 1.00 0.00 H new ATOM 0 HA ASP A 98 10.217 -1.614 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.279 -3.145 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.470 -3.502 5.619 1.00 0.00 H new ATOM 506 N GLU A 99 11.573 -1.125 5.135 1.00 0.00 N ATOM 507 CA GLU A 99 12.495 -0.979 4.034 1.00 0.00 C ATOM 508 C GLU A 99 13.286 -2.254 3.734 1.00 0.00 C ATOM 509 O GLU A 99 13.840 -2.401 2.642 1.00 0.00 O ATOM 510 CB GLU A 99 13.416 0.194 4.282 1.00 0.00 C ATOM 511 CG GLU A 99 12.678 1.511 4.452 1.00 0.00 C ATOM 512 CD GLU A 99 13.601 2.676 4.650 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.103 3.220 3.652 1.00 0.00 O ATOM 514 OE2 GLU A 99 13.849 3.076 5.800 1.00 0.00 O ATOM 0 H GLU A 99 11.815 -0.562 5.950 1.00 0.00 H new ATOM 0 HA GLU A 99 11.900 -0.785 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.009 -0.001 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.114 0.281 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.058 1.690 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.006 1.437 5.307 1.00 0.00 H new ATOM 521 N GLU A 100 13.325 -3.162 4.693 1.00 0.00 N ATOM 522 CA GLU A 100 14.095 -4.382 4.567 1.00 0.00 C ATOM 523 C GLU A 100 13.424 -5.312 3.550 1.00 0.00 C ATOM 524 O GLU A 100 14.082 -5.911 2.691 1.00 0.00 O ATOM 525 CB GLU A 100 14.164 -5.077 5.930 1.00 0.00 C ATOM 526 CG GLU A 100 15.283 -6.096 6.054 1.00 0.00 C ATOM 527 CD GLU A 100 16.647 -5.446 5.996 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.177 -5.051 7.054 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.224 -5.309 4.893 1.00 0.00 O ATOM 0 H GLU A 100 12.825 -3.073 5.577 1.00 0.00 H new ATOM 0 HA GLU A 100 15.102 -4.144 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.289 -4.321 6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.213 -5.574 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.179 -6.637 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.196 -6.830 5.253 1.00 0.00 H new ATOM 536 N ASN A 101 12.113 -5.398 3.641 1.00 0.00 N ATOM 537 CA ASN A 101 11.316 -6.229 2.740 1.00 0.00 C ATOM 538 C ASN A 101 10.771 -5.404 1.610 1.00 0.00 C ATOM 539 O ASN A 101 10.240 -5.948 0.630 1.00 0.00 O ATOM 540 CB ASN A 101 10.130 -6.857 3.475 1.00 0.00 C ATOM 541 CG ASN A 101 10.509 -7.824 4.570 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.607 -9.038 4.357 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.720 -7.314 5.733 1.00 0.00 N ATOM 0 H ASN A 101 11.563 -4.897 4.339 1.00 0.00 H new ATOM 0 HA ASN A 101 11.972 -7.012 2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.524 -6.060 3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.504 -7.377 2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.977 -7.916 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.630 -6.308 5.872 1.00 0.00 H new ATOM 550 N GLY A 102 10.873 -4.090 1.750 1.00 0.00 N ATOM 551 CA GLY A 102 10.315 -3.198 0.768 1.00 0.00 C ATOM 552 C GLY A 102 8.806 -3.145 0.896 1.00 0.00 C ATOM 553 O GLY A 102 8.088 -2.899 -0.072 1.00 0.00 O ATOM 0 H GLY A 102 11.336 -3.629 2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.732 -2.199 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.590 -3.532 -0.233 1.00 0.00 H new ATOM 557 N THR A 103 8.318 -3.377 2.089 1.00 0.00 N ATOM 558 CA THR A 103 6.901 -3.391 2.313 1.00 0.00 C ATOM 559 C THR A 103 6.487 -2.251 3.208 1.00 0.00 C ATOM 560 O THR A 103 7.286 -1.747 3.969 1.00 0.00 O ATOM 561 CB THR A 103 6.455 -4.732 2.911 1.00 0.00 C ATOM 562 OG1 THR A 103 7.248 -5.021 4.085 1.00 0.00 O ATOM 563 CG2 THR A 103 6.611 -5.853 1.897 1.00 0.00 C ATOM 0 H THR A 103 8.884 -3.558 2.918 1.00 0.00 H new ATOM 0 HA THR A 103 6.409 -3.265 1.349 1.00 0.00 H new ATOM 0 HB THR A 103 5.402 -4.661 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.964 -5.876 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.289 -6.794 2.343 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.000 -5.639 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.657 -5.932 1.599 1.00 0.00 H new ATOM 571 N ALA A 104 5.266 -1.851 3.116 1.00 0.00 N ATOM 572 CA ALA A 104 4.767 -0.784 3.918 1.00 0.00 C ATOM 573 C ALA A 104 3.477 -1.185 4.565 1.00 0.00 C ATOM 574 O ALA A 104 2.668 -1.904 3.977 1.00 0.00 O ATOM 575 CB ALA A 104 4.566 0.462 3.082 1.00 0.00 C ATOM 0 H ALA A 104 4.580 -2.256 2.479 1.00 0.00 H new ATOM 0 HA ALA A 104 5.499 -0.564 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.185 1.265 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.518 0.764 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.851 0.255 2.286 1.00 0.00 H new ATOM 581 N ALA A 105 3.308 -0.758 5.770 1.00 0.00 N ATOM 582 CA ALA A 105 2.105 -0.971 6.493 1.00 0.00 C ATOM 583 C ALA A 105 1.213 0.193 6.196 1.00 0.00 C ATOM 584 O ALA A 105 1.591 1.361 6.426 1.00 0.00 O ATOM 585 CB ALA A 105 2.396 -1.065 7.961 1.00 0.00 C ATOM 0 H ALA A 105 4.018 -0.241 6.289 1.00 0.00 H new ATOM 0 HA ALA A 105 1.625 -1.905 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.467 -1.228 8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.076 -1.897 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.858 -0.138 8.300 1.00 0.00 H new ATOM 591 N ILE A 106 0.084 -0.090 5.660 1.00 0.00 N ATOM 592 CA ILE A 106 -0.803 0.929 5.200 1.00 0.00 C ATOM 593 C ILE A 106 -2.158 0.764 5.830 1.00 0.00 C ATOM 594 O ILE A 106 -2.587 -0.352 6.101 1.00 0.00 O ATOM 595 CB ILE A 106 -0.918 0.887 3.641 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.411 -0.480 3.145 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.386 1.251 2.972 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.876 -0.529 2.898 1.00 0.00 C ATOM 0 H ILE A 106 -0.260 -1.041 5.524 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.400 1.899 5.491 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.659 1.636 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.887 -0.734 2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.149 -1.240 3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.264 1.210 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.677 2.259 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.160 0.547 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.153 -1.524 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.409 -0.307 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.142 0.208 2.140 1.00 0.00 H new ATOM 610 N THR A 107 -2.811 1.849 6.075 1.00 0.00 N ATOM 611 CA THR A 107 -4.118 1.827 6.628 1.00 0.00 C ATOM 612 C THR A 107 -5.099 2.453 5.642 1.00 0.00 C ATOM 613 O THR A 107 -4.912 3.588 5.191 1.00 0.00 O ATOM 614 CB THR A 107 -4.159 2.539 7.994 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.233 1.894 8.887 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.551 2.479 8.600 1.00 0.00 C ATOM 0 H THR A 107 -2.447 2.785 5.894 1.00 0.00 H new ATOM 0 HA THR A 107 -4.411 0.792 6.802 1.00 0.00 H new ATOM 0 HB THR A 107 -3.888 3.585 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.365 2.234 9.797 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.551 2.989 9.563 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.260 2.967 7.931 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.842 1.438 8.741 1.00 0.00 H new ATOM 624 N PHE A 108 -6.104 1.688 5.289 1.00 0.00 N ATOM 625 CA PHE A 108 -7.118 2.089 4.350 1.00 0.00 C ATOM 626 C PHE A 108 -7.998 3.151 4.943 1.00 0.00 C ATOM 627 O PHE A 108 -8.688 2.909 5.940 1.00 0.00 O ATOM 628 CB PHE A 108 -7.950 0.888 3.901 1.00 0.00 C ATOM 629 CG PHE A 108 -7.180 -0.101 3.078 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.929 0.173 1.747 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.707 -1.300 3.624 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.222 -0.710 0.960 1.00 0.00 C ATOM 633 CE2 PHE A 108 -5.998 -2.192 2.838 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.754 -1.896 1.504 1.00 0.00 C ATOM 0 H PHE A 108 -6.241 0.747 5.657 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.622 2.505 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.349 0.383 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.803 1.243 3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.293 1.094 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.896 -1.530 4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.033 -0.479 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.635 -3.117 3.262 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.199 -2.590 0.890 1.00 0.00 H new ATOM 644 N ALA A 109 -7.969 4.310 4.328 1.00 0.00 N ATOM 645 CA ALA A 109 -8.709 5.463 4.790 1.00 0.00 C ATOM 646 C ALA A 109 -10.205 5.190 4.746 1.00 0.00 C ATOM 647 O ALA A 109 -10.708 4.573 3.799 1.00 0.00 O ATOM 648 CB ALA A 109 -8.348 6.683 3.951 1.00 0.00 C ATOM 0 H ALA A 109 -7.425 4.482 3.483 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.439 5.666 5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.910 7.547 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.280 6.883 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.596 6.493 2.907 1.00 0.00 H new ATOM 654 N GLY A 110 -10.892 5.581 5.786 1.00 0.00 N ATOM 655 CA GLY A 110 -12.314 5.386 5.855 1.00 0.00 C ATOM 656 C GLY A 110 -12.681 4.039 6.440 1.00 0.00 C ATOM 657 O GLY A 110 -13.386 3.959 7.457 1.00 0.00 O ATOM 0 H GLY A 110 -10.486 6.039 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.758 6.176 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.740 5.474 4.855 1.00 0.00 H new ATOM 661 N TYR A 111 -12.197 2.985 5.817 1.00 0.00 N ATOM 662 CA TYR A 111 -12.502 1.632 6.240 1.00 0.00 C ATOM 663 C TYR A 111 -11.776 1.291 7.534 1.00 0.00 C ATOM 664 O TYR A 111 -12.340 0.668 8.426 1.00 0.00 O ATOM 665 CB TYR A 111 -12.085 0.654 5.184 1.00 0.00 C ATOM 666 CG TYR A 111 -12.615 0.921 3.799 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.930 0.633 3.455 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.775 1.421 2.825 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.388 0.843 2.164 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.210 1.633 1.548 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.515 1.342 1.215 1.00 0.00 C ATOM 672 OH TYR A 111 -13.953 1.559 -0.073 1.00 0.00 O ATOM 0 H TYR A 111 -11.582 3.040 5.005 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.578 1.569 6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -10.996 0.638 5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.406 -0.342 5.490 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.603 0.241 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.750 1.650 3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.412 0.620 1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.535 2.027 0.803 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.271 1.253 -0.706 1.00 0.00 H new ATOM 682 N GLY A 112 -10.520 1.673 7.613 1.00 0.00 N ATOM 683 CA GLY A 112 -9.762 1.475 8.822 1.00 0.00 C ATOM 684 C GLY A 112 -9.008 0.158 8.900 1.00 0.00 C ATOM 685 O GLY A 112 -8.672 -0.297 9.991 1.00 0.00 O ATOM 0 H GLY A 112 -10.006 2.121 6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.047 2.292 8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.441 1.539 9.673 1.00 0.00 H new ATOM 689 N ASN A 113 -8.735 -0.478 7.781 1.00 0.00 N ATOM 690 CA ASN A 113 -7.927 -1.706 7.844 1.00 0.00 C ATOM 691 C ASN A 113 -6.515 -1.392 7.581 1.00 0.00 C ATOM 692 O ASN A 113 -6.210 -0.353 7.025 1.00 0.00 O ATOM 693 CB ASN A 113 -8.342 -2.812 6.889 1.00 0.00 C ATOM 694 CG ASN A 113 -9.630 -3.477 7.235 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.052 -3.504 8.399 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.217 -4.083 6.263 1.00 0.00 N ATOM 0 H ASN A 113 -9.038 -0.193 6.850 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.091 -2.086 8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.421 -2.397 5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.555 -3.565 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.070 -4.616 6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.830 -4.030 5.321 1.00 0.00 H new ATOM 703 N ALA A 114 -5.663 -2.292 7.917 1.00 0.00 N ATOM 704 CA ALA A 114 -4.266 -2.095 7.740 1.00 0.00 C ATOM 705 C ALA A 114 -3.650 -3.364 7.252 1.00 0.00 C ATOM 706 O ALA A 114 -3.952 -4.440 7.775 1.00 0.00 O ATOM 707 CB ALA A 114 -3.627 -1.657 9.047 1.00 0.00 C ATOM 0 H ALA A 114 -5.915 -3.192 8.325 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.099 -1.310 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.557 -1.510 8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.079 -0.722 9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.785 -2.425 9.805 1.00 0.00 H new ATOM 713 N GLU A 115 -2.835 -3.269 6.251 1.00 0.00 N ATOM 714 CA GLU A 115 -2.153 -4.418 5.751 1.00 0.00 C ATOM 715 C GLU A 115 -0.748 -4.034 5.392 1.00 0.00 C ATOM 716 O GLU A 115 -0.460 -2.852 5.161 1.00 0.00 O ATOM 717 CB GLU A 115 -2.872 -5.081 4.545 1.00 0.00 C ATOM 718 CG GLU A 115 -2.828 -4.344 3.218 1.00 0.00 C ATOM 719 CD GLU A 115 -3.233 -5.264 2.073 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.452 -5.421 1.803 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.331 -5.883 1.458 1.00 0.00 O ATOM 0 H GLU A 115 -2.625 -2.400 5.760 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.148 -5.170 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.439 -6.070 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.918 -5.228 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.496 -3.484 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.823 -3.960 3.044 1.00 0.00 H new ATOM 728 N VAL A 116 0.126 -4.990 5.404 1.00 0.00 N ATOM 729 CA VAL A 116 1.479 -4.772 5.009 1.00 0.00 C ATOM 730 C VAL A 116 1.596 -5.181 3.558 1.00 0.00 C ATOM 731 O VAL A 116 1.494 -6.360 3.225 1.00 0.00 O ATOM 732 CB VAL A 116 2.473 -5.576 5.891 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.910 -5.323 5.464 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.288 -5.224 7.361 1.00 0.00 C ATOM 0 H VAL A 116 -0.081 -5.947 5.689 1.00 0.00 H new ATOM 0 HA VAL A 116 1.737 -3.721 5.137 1.00 0.00 H new ATOM 0 HB VAL A 116 2.260 -6.636 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.585 -5.898 6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.040 -5.628 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.137 -4.261 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.993 -5.797 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.469 -4.159 7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.270 -5.464 7.667 1.00 0.00 H new ATOM 744 N THR A 117 1.779 -4.225 2.717 1.00 0.00 N ATOM 745 CA THR A 117 1.805 -4.453 1.297 1.00 0.00 C ATOM 746 C THR A 117 3.098 -3.858 0.713 1.00 0.00 C ATOM 747 O THR A 117 3.596 -2.843 1.215 1.00 0.00 O ATOM 748 CB THR A 117 0.520 -3.872 0.605 1.00 0.00 C ATOM 749 OG1 THR A 117 0.408 -4.320 -0.761 1.00 0.00 O ATOM 750 CG2 THR A 117 0.517 -2.358 0.635 1.00 0.00 C ATOM 0 H THR A 117 1.917 -3.251 2.987 1.00 0.00 H new ATOM 0 HA THR A 117 1.800 -5.525 1.101 1.00 0.00 H new ATOM 0 HB THR A 117 -0.336 -4.242 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.402 -3.943 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.385 -1.986 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.539 -2.015 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.394 -1.982 0.109 1.00 0.00 H new ATOM 758 N PRO A 118 3.725 -4.538 -0.259 1.00 0.00 N ATOM 759 CA PRO A 118 4.962 -4.074 -0.871 1.00 0.00 C ATOM 760 C PRO A 118 4.794 -2.730 -1.562 1.00 0.00 C ATOM 761 O PRO A 118 3.718 -2.412 -2.075 1.00 0.00 O ATOM 762 CB PRO A 118 5.296 -5.159 -1.893 1.00 0.00 C ATOM 763 CG PRO A 118 4.014 -5.836 -2.159 1.00 0.00 C ATOM 764 CD PRO A 118 3.252 -5.780 -0.873 1.00 0.00 C ATOM 0 HA PRO A 118 5.745 -3.921 -0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.712 -4.729 -2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.037 -5.856 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.467 -5.338 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.174 -6.867 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.176 -5.761 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.460 -6.645 -0.244 1.00 0.00 H new ATOM 772 N LEU A 119 5.858 -1.959 -1.579 1.00 0.00 N ATOM 773 CA LEU A 119 5.893 -0.632 -2.207 1.00 0.00 C ATOM 774 C LEU A 119 5.552 -0.712 -3.691 1.00 0.00 C ATOM 775 O LEU A 119 5.083 0.257 -4.286 1.00 0.00 O ATOM 776 CB LEU A 119 7.265 0.019 -2.005 1.00 0.00 C ATOM 777 CG LEU A 119 7.718 0.180 -0.548 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.079 0.827 -0.468 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.713 0.964 0.271 1.00 0.00 C ATOM 0 H LEU A 119 6.745 -2.229 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 119 5.137 -0.012 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.010 -0.575 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.252 1.003 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 119 7.786 -0.822 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.373 0.928 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.807 0.208 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.041 1.813 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.071 1.055 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.588 1.957 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.755 0.444 0.267 1.00 0.00 H new ATOM 791 N LEU A 120 5.812 -1.868 -4.272 1.00 0.00 N ATOM 792 CA LEU A 120 5.501 -2.148 -5.664 1.00 0.00 C ATOM 793 C LEU A 120 3.990 -2.141 -5.888 1.00 0.00 C ATOM 794 O LEU A 120 3.520 -1.847 -6.981 1.00 0.00 O ATOM 795 CB LEU A 120 6.110 -3.508 -6.073 1.00 0.00 C ATOM 796 CG LEU A 120 5.367 -4.787 -5.644 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.387 -5.195 -6.721 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.340 -5.910 -5.345 1.00 0.00 C ATOM 0 H LEU A 120 6.251 -2.650 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 120 5.936 -1.368 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.200 -3.521 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.121 -3.557 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 120 4.816 -4.579 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.864 -6.100 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.665 -4.394 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.925 -5.385 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.787 -6.800 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.926 -6.131 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.007 -5.608 -4.538 1.00 0.00 H new ATOM 810 N ASN A 121 3.248 -2.471 -4.847 1.00 0.00 N ATOM 811 CA ASN A 121 1.788 -2.536 -4.906 1.00 0.00 C ATOM 812 C ASN A 121 1.175 -1.205 -4.614 1.00 0.00 C ATOM 813 O ASN A 121 -0.039 -1.032 -4.728 1.00 0.00 O ATOM 814 CB ASN A 121 1.211 -3.552 -3.915 1.00 0.00 C ATOM 815 CG ASN A 121 1.213 -4.976 -4.383 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.213 -5.265 -5.584 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.102 -5.874 -3.449 1.00 0.00 N ATOM 0 H ASN A 121 3.635 -2.703 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 121 1.545 -2.849 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.778 -3.491 -2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.186 -3.265 -3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.011 -6.859 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.106 -5.593 -2.468 1.00 0.00 H new ATOM 824 N LEU A 122 1.990 -0.275 -4.219 1.00 0.00 N ATOM 825 CA LEU A 122 1.508 1.019 -3.896 1.00 0.00 C ATOM 826 C LEU A 122 1.491 1.889 -5.121 1.00 0.00 C ATOM 827 O LEU A 122 2.462 1.937 -5.890 1.00 0.00 O ATOM 828 CB LEU A 122 2.337 1.642 -2.779 1.00 0.00 C ATOM 829 CG LEU A 122 2.290 0.925 -1.435 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.113 1.674 -0.411 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.856 0.772 -0.962 1.00 0.00 C ATOM 0 H LEU A 122 2.997 -0.396 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 122 0.484 0.931 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.375 1.690 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.001 2.669 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 122 2.716 -0.071 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.070 1.150 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.148 1.731 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.715 2.681 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.843 0.258 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.402 1.757 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.292 0.191 -1.692 1.00 0.00 H new ATOM 843 N LYS A 123 0.387 2.533 -5.325 1.00 0.00 N ATOM 844 CA LYS A 123 0.206 3.419 -6.435 1.00 0.00 C ATOM 845 C LYS A 123 0.043 4.817 -5.889 1.00 0.00 C ATOM 846 O LYS A 123 -0.362 4.973 -4.733 1.00 0.00 O ATOM 847 CB LYS A 123 -1.059 3.052 -7.226 1.00 0.00 C ATOM 848 CG LYS A 123 -1.164 1.608 -7.649 1.00 0.00 C ATOM 849 CD LYS A 123 -2.420 1.385 -8.467 1.00 0.00 C ATOM 850 CE LYS A 123 -2.562 -0.072 -8.885 1.00 0.00 C ATOM 851 NZ LYS A 123 -3.815 -0.335 -9.638 1.00 0.00 N ATOM 0 H LYS A 123 -0.428 2.459 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 123 1.066 3.346 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.930 3.299 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.103 3.678 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.288 1.330 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.177 0.965 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.292 1.685 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.395 2.018 -9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.708 -0.354 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.537 -0.704 -7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.884 -1.350 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -4.632 -0.046 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -3.807 0.207 -10.526 1.00 0.00 H new ATOM 865 N PRO A 124 0.337 5.840 -6.677 1.00 0.00 N ATOM 866 CA PRO A 124 0.122 7.208 -6.265 1.00 0.00 C ATOM 867 C PRO A 124 -1.361 7.539 -6.347 1.00 0.00 C ATOM 868 O PRO A 124 -2.086 6.999 -7.205 1.00 0.00 O ATOM 869 CB PRO A 124 0.936 8.033 -7.264 1.00 0.00 C ATOM 870 CG PRO A 124 1.066 7.172 -8.479 1.00 0.00 C ATOM 871 CD PRO A 124 0.874 5.740 -8.039 1.00 0.00 C ATOM 0 HA PRO A 124 0.426 7.405 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.434 8.971 -7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.914 8.288 -6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.322 7.447 -9.226 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.045 7.304 -8.940 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.186 5.212 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.815 5.191 -8.055 1.00 0.00 H new