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 100:sc= 0.079 USER MOD Set 1.2: A 121 ASN : amide:sc= -2.03! C(o=-1.9!,f=-2.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 1.06 (180deg=0.956) USER MOD Single : A 79 CYS SG : rot -15:sc= -1.78! USER MOD Single : A 80 MET CE :methyl -164:sc= -0.155 (180deg=-0.574) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0979 X(o=-0.098,f=-0.17) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0405 USER MOD Single : A 90 TYR OH : rot 18:sc= 1.28 USER MOD Single : A 101 ASN : amide:sc= 1.11 K(o=1.1,f=-0.23) USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 111 TYR OH : rot -135:sc= 0.043 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 123 LYS NZ :NH3+ 159:sc= 1.47 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.391 5.625 -0.961 1.00 0.00 N ATOM 112 CA TRP A 73 7.281 6.051 -0.138 1.00 0.00 C ATOM 113 C TRP A 73 7.721 6.570 1.207 1.00 0.00 C ATOM 114 O TRP A 73 8.807 6.217 1.689 1.00 0.00 O ATOM 115 CB TRP A 73 6.290 4.909 0.039 1.00 0.00 C ATOM 116 CG TRP A 73 5.589 4.555 -1.225 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.828 3.492 -2.035 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.543 5.296 -1.833 1.00 0.00 C ATOM 119 NE1 TRP A 73 4.983 3.532 -3.112 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.191 4.631 -3.009 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.868 6.466 -1.490 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.203 5.092 -3.846 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.885 6.923 -2.323 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.565 6.235 -3.486 1.00 0.00 C ATOM 0 HA TRP A 73 6.798 6.879 -0.657 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.816 4.032 0.416 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.553 5.187 0.793 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.572 2.730 -1.857 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.953 2.848 -3.868 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.116 7.001 -0.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.945 4.566 -4.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.352 7.829 -2.074 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.784 6.621 -4.124 1.00 0.00 H new ATOM 135 N LYS A 74 6.927 7.457 1.778 1.00 0.00 N ATOM 136 CA LYS A 74 7.169 7.953 3.118 1.00 0.00 C ATOM 137 C LYS A 74 5.930 7.743 3.985 1.00 0.00 C ATOM 138 O LYS A 74 4.810 7.626 3.479 1.00 0.00 O ATOM 139 CB LYS A 74 7.538 9.439 3.139 1.00 0.00 C ATOM 140 CG LYS A 74 6.449 10.362 2.599 1.00 0.00 C ATOM 141 CD LYS A 74 6.688 11.818 2.984 1.00 0.00 C ATOM 142 CE LYS A 74 6.522 12.045 4.494 1.00 0.00 C ATOM 143 NZ LYS A 74 6.661 13.473 4.865 1.00 0.00 N ATOM 0 H LYS A 74 6.101 7.851 1.328 1.00 0.00 H new ATOM 0 HA LYS A 74 8.015 7.390 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.770 9.730 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.446 9.585 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.408 10.277 1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.480 10.041 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.692 12.114 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.990 12.456 2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.543 11.684 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.266 11.458 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.542 13.578 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.605 13.813 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.935 14.032 4.373 1.00 0.00 H new ATOM 157 N VAL A 75 6.150 7.667 5.273 1.00 0.00 N ATOM 158 CA VAL A 75 5.095 7.554 6.257 1.00 0.00 C ATOM 159 C VAL A 75 4.225 8.819 6.239 1.00 0.00 C ATOM 160 O VAL A 75 4.751 9.931 6.152 1.00 0.00 O ATOM 161 CB VAL A 75 5.698 7.363 7.681 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.614 7.362 8.747 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.507 6.071 7.759 1.00 0.00 C ATOM 0 H VAL A 75 7.086 7.682 5.679 1.00 0.00 H new ATOM 0 HA VAL A 75 4.483 6.686 6.010 1.00 0.00 H new ATOM 0 HB VAL A 75 6.362 8.207 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.069 7.227 9.728 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.079 8.311 8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.916 6.547 8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.918 5.959 8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.860 5.223 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.321 6.107 7.035 1.00 0.00 H new ATOM 173 N GLY A 76 2.924 8.647 6.317 1.00 0.00 N ATOM 174 CA GLY A 76 2.021 9.776 6.380 1.00 0.00 C ATOM 175 C GLY A 76 1.566 10.240 5.023 1.00 0.00 C ATOM 176 O GLY A 76 1.034 11.339 4.881 1.00 0.00 O ATOM 0 H GLY A 76 2.467 7.735 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.150 9.505 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.515 10.601 6.894 1.00 0.00 H new ATOM 180 N ASP A 77 1.772 9.427 4.021 1.00 0.00 N ATOM 181 CA ASP A 77 1.363 9.803 2.682 1.00 0.00 C ATOM 182 C ASP A 77 0.188 8.990 2.283 1.00 0.00 C ATOM 183 O ASP A 77 -0.078 7.928 2.875 1.00 0.00 O ATOM 184 CB ASP A 77 2.446 9.522 1.680 1.00 0.00 C ATOM 185 CG ASP A 77 2.488 10.558 0.559 1.00 0.00 C ATOM 186 OD1 ASP A 77 1.432 11.128 0.209 1.00 0.00 O ATOM 187 OD2 ASP A 77 3.580 10.818 0.001 1.00 0.00 O ATOM 0 H ASP A 77 2.214 8.511 4.098 1.00 0.00 H new ATOM 0 HA ASP A 77 1.137 10.869 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.410 9.502 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.291 8.532 1.250 1.00 0.00 H new ATOM 192 N LYS A 78 -0.479 9.427 1.272 1.00 0.00 N ATOM 193 CA LYS A 78 -1.578 8.711 0.763 1.00 0.00 C ATOM 194 C LYS A 78 -1.114 7.952 -0.428 1.00 0.00 C ATOM 195 O LYS A 78 -0.454 8.495 -1.314 1.00 0.00 O ATOM 196 CB LYS A 78 -2.743 9.616 0.364 1.00 0.00 C ATOM 197 CG LYS A 78 -3.347 10.428 1.486 1.00 0.00 C ATOM 198 CD LYS A 78 -3.982 9.563 2.562 1.00 0.00 C ATOM 199 CE LYS A 78 -4.701 10.426 3.593 1.00 0.00 C ATOM 200 NZ LYS A 78 -3.807 11.431 4.199 1.00 0.00 N ATOM 0 H LYS A 78 -0.271 10.295 0.779 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.948 8.050 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.400 10.300 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.526 8.999 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.573 11.050 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.100 11.102 1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.687 8.868 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.215 8.964 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.543 10.930 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.111 9.788 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.324 11.960 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.990 10.954 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.475 12.088 3.465 1.00 0.00 H new ATOM 214 N CYS A 79 -1.432 6.744 -0.441 1.00 0.00 N ATOM 215 CA CYS A 79 -1.106 5.889 -1.523 1.00 0.00 C ATOM 216 C CYS A 79 -2.293 5.044 -1.850 1.00 0.00 C ATOM 217 O CYS A 79 -3.307 5.079 -1.152 1.00 0.00 O ATOM 218 CB CYS A 79 0.076 5.001 -1.142 1.00 0.00 C ATOM 219 SG CYS A 79 -0.178 4.039 0.378 1.00 0.00 S ATOM 0 H CYS A 79 -1.943 6.286 0.314 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.831 6.485 -2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.281 4.315 -1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.961 5.625 -1.020 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.197 4.517 1.029 1.00 0.00 H new ATOM 225 N MET A 80 -2.193 4.328 -2.903 1.00 0.00 N ATOM 226 CA MET A 80 -3.188 3.381 -3.257 1.00 0.00 C ATOM 227 C MET A 80 -2.593 2.058 -2.983 1.00 0.00 C ATOM 228 O MET A 80 -1.494 1.775 -3.432 1.00 0.00 O ATOM 229 CB MET A 80 -3.534 3.470 -4.729 1.00 0.00 C ATOM 230 CG MET A 80 -3.943 4.851 -5.168 1.00 0.00 C ATOM 231 SD MET A 80 -5.486 5.401 -4.428 1.00 0.00 S ATOM 232 CE MET A 80 -6.640 4.251 -5.158 1.00 0.00 C ATOM 0 H MET A 80 -1.410 4.380 -3.555 1.00 0.00 H new ATOM 0 HA MET A 80 -4.105 3.559 -2.695 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.673 3.151 -5.316 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.344 2.774 -4.946 1.00 0.00 H new ATOM 0 HG2 MET A 80 -3.153 5.556 -4.911 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.042 4.866 -6.253 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.656 4.625 -5.031 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.423 4.143 -6.221 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.547 3.282 -4.668 1.00 0.00 H new ATOM 242 N ALA A 81 -3.280 1.272 -2.278 1.00 0.00 N ATOM 243 CA ALA A 81 -2.799 -0.019 -1.902 1.00 0.00 C ATOM 244 C ALA A 81 -3.700 -1.063 -2.450 1.00 0.00 C ATOM 245 O ALA A 81 -4.887 -0.821 -2.631 1.00 0.00 O ATOM 246 CB ALA A 81 -2.729 -0.133 -0.399 1.00 0.00 C ATOM 0 H ALA A 81 -4.213 1.491 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.797 -0.158 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.361 -1.122 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.053 0.627 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.723 0.014 0.024 1.00 0.00 H new ATOM 252 N VAL A 82 -3.158 -2.201 -2.727 1.00 0.00 N ATOM 253 CA VAL A 82 -3.934 -3.292 -3.228 1.00 0.00 C ATOM 254 C VAL A 82 -4.475 -4.040 -2.048 1.00 0.00 C ATOM 255 O VAL A 82 -3.713 -4.582 -1.270 1.00 0.00 O ATOM 256 CB VAL A 82 -3.083 -4.242 -4.111 1.00 0.00 C ATOM 257 CG1 VAL A 82 -3.914 -5.414 -4.620 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.476 -3.480 -5.275 1.00 0.00 C ATOM 0 H VAL A 82 -2.165 -2.404 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.739 -2.908 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.278 -4.643 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.290 -6.062 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.301 -5.981 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.746 -5.039 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.882 -4.160 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.272 -3.049 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.838 -2.683 -4.895 1.00 0.00 H new ATOM 268 N TRP A 83 -5.772 -4.014 -1.892 1.00 0.00 N ATOM 269 CA TRP A 83 -6.416 -4.671 -0.802 1.00 0.00 C ATOM 270 C TRP A 83 -6.281 -6.152 -0.998 1.00 0.00 C ATOM 271 O TRP A 83 -6.798 -6.701 -1.972 1.00 0.00 O ATOM 272 CB TRP A 83 -7.891 -4.270 -0.730 1.00 0.00 C ATOM 273 CG TRP A 83 -8.562 -4.656 0.562 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.970 -4.752 1.777 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.947 -4.936 0.780 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.872 -5.099 2.725 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.098 -5.212 2.151 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.070 -4.987 -0.036 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.323 -5.534 2.716 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.289 -5.306 0.531 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.398 -5.574 1.898 1.00 0.00 C ATOM 0 H TRP A 83 -6.409 -3.531 -2.525 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.948 -4.378 0.138 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -7.972 -3.191 -0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.425 -4.734 -1.559 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.921 -4.576 1.964 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.664 -5.251 3.712 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.992 -4.781 -1.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.414 -5.745 3.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.170 -5.349 -0.092 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.365 -5.819 2.311 1.00 0.00 H new ATOM 292 N SER A 84 -5.605 -6.778 -0.079 1.00 0.00 N ATOM 293 CA SER A 84 -5.302 -8.199 -0.104 1.00 0.00 C ATOM 294 C SER A 84 -6.596 -9.053 -0.123 1.00 0.00 C ATOM 295 O SER A 84 -6.572 -10.231 -0.463 1.00 0.00 O ATOM 296 CB SER A 84 -4.413 -8.526 1.120 1.00 0.00 C ATOM 297 OG SER A 84 -3.902 -9.852 1.103 1.00 0.00 O ATOM 0 H SER A 84 -5.231 -6.305 0.743 1.00 0.00 H new ATOM 0 HA SER A 84 -4.763 -8.447 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.581 -7.823 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.992 -8.379 2.031 1.00 0.00 H new ATOM 0 HG SER A 84 -3.348 -9.999 1.898 1.00 0.00 H new ATOM 303 N GLU A 85 -7.713 -8.443 0.239 1.00 0.00 N ATOM 304 CA GLU A 85 -8.989 -9.125 0.243 1.00 0.00 C ATOM 305 C GLU A 85 -9.666 -9.101 -1.131 1.00 0.00 C ATOM 306 O GLU A 85 -10.223 -10.100 -1.573 1.00 0.00 O ATOM 307 CB GLU A 85 -9.911 -8.481 1.245 1.00 0.00 C ATOM 308 CG GLU A 85 -9.386 -8.452 2.662 1.00 0.00 C ATOM 309 CD GLU A 85 -9.209 -9.813 3.252 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.190 -10.387 3.753 1.00 0.00 O ATOM 311 OE2 GLU A 85 -8.080 -10.347 3.224 1.00 0.00 O ATOM 0 H GLU A 85 -7.757 -7.468 0.536 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.794 -10.164 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.114 -7.458 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.863 -9.012 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.430 -7.929 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.073 -7.879 3.285 1.00 0.00 H new ATOM 318 N ASP A 86 -9.618 -7.959 -1.803 1.00 0.00 N ATOM 319 CA ASP A 86 -10.385 -7.794 -3.049 1.00 0.00 C ATOM 320 C ASP A 86 -9.493 -7.816 -4.281 1.00 0.00 C ATOM 321 O ASP A 86 -9.951 -8.048 -5.389 1.00 0.00 O ATOM 322 CB ASP A 86 -11.174 -6.482 -2.969 1.00 0.00 C ATOM 323 CG ASP A 86 -12.130 -6.230 -4.106 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.868 -7.150 -4.504 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.227 -5.075 -4.555 1.00 0.00 O ATOM 0 H ASP A 86 -9.072 -7.145 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.069 -8.636 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.737 -6.473 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.466 -5.655 -2.922 1.00 0.00 H new ATOM 330 N GLY A 87 -8.215 -7.586 -4.075 1.00 0.00 N ATOM 331 CA GLY A 87 -7.262 -7.588 -5.169 1.00 0.00 C ATOM 332 C GLY A 87 -7.282 -6.299 -5.970 1.00 0.00 C ATOM 333 O GLY A 87 -6.720 -6.229 -7.066 1.00 0.00 O ATOM 0 H GLY A 87 -7.809 -7.395 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.260 -7.747 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.479 -8.426 -5.832 1.00 0.00 H new ATOM 337 N GLN A 88 -7.935 -5.288 -5.442 1.00 0.00 N ATOM 338 CA GLN A 88 -8.036 -4.002 -6.113 1.00 0.00 C ATOM 339 C GLN A 88 -7.316 -2.940 -5.329 1.00 0.00 C ATOM 340 O GLN A 88 -6.995 -3.150 -4.163 1.00 0.00 O ATOM 341 CB GLN A 88 -9.487 -3.611 -6.363 1.00 0.00 C ATOM 342 CG GLN A 88 -10.190 -4.452 -7.406 1.00 0.00 C ATOM 343 CD GLN A 88 -9.547 -4.366 -8.787 1.00 0.00 C ATOM 344 OE1 GLN A 88 -9.888 -3.503 -9.600 1.00 0.00 O ATOM 345 NE2 GLN A 88 -8.635 -5.254 -9.069 1.00 0.00 N ATOM 0 H GLN A 88 -8.410 -5.329 -4.540 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.555 -4.095 -7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.037 -3.683 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.521 -2.567 -6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.196 -5.492 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.230 -4.135 -7.477 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.374 -5.955 -8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.182 -5.247 -9.983 1.00 0.00 H new ATOM 354 N CYS A 89 -7.103 -1.805 -5.933 1.00 0.00 N ATOM 355 CA CYS A 89 -6.343 -0.753 -5.290 1.00 0.00 C ATOM 356 C CYS A 89 -7.267 0.326 -4.691 1.00 0.00 C ATOM 357 O CYS A 89 -8.228 0.769 -5.332 1.00 0.00 O ATOM 358 CB CYS A 89 -5.313 -0.184 -6.275 1.00 0.00 C ATOM 359 SG CYS A 89 -6.022 0.465 -7.795 1.00 0.00 S ATOM 0 H CYS A 89 -7.441 -1.578 -6.868 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.794 -1.170 -4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -4.755 0.611 -5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.598 -0.967 -6.527 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.072 0.922 -8.556 1.00 0.00 H new ATOM 365 N TYR A 90 -6.973 0.715 -3.456 1.00 0.00 N ATOM 366 CA TYR A 90 -7.780 1.650 -2.659 1.00 0.00 C ATOM 367 C TYR A 90 -6.876 2.636 -1.947 1.00 0.00 C ATOM 368 O TYR A 90 -5.697 2.351 -1.756 1.00 0.00 O ATOM 369 CB TYR A 90 -8.597 0.883 -1.619 1.00 0.00 C ATOM 370 CG TYR A 90 -9.638 -0.038 -2.211 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.298 -1.304 -2.662 1.00 0.00 C ATOM 372 CD2 TYR A 90 -10.949 0.362 -2.324 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.229 -2.137 -3.220 1.00 0.00 C ATOM 374 CE2 TYR A 90 -11.896 -0.465 -2.871 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.534 -1.712 -3.325 1.00 0.00 C ATOM 376 OH TYR A 90 -12.483 -2.527 -3.898 1.00 0.00 O ATOM 0 H TYR A 90 -6.145 0.383 -2.962 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.453 2.186 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.918 0.297 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.091 1.598 -0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.276 -1.640 -2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.237 1.343 -1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.943 -3.117 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.923 -0.138 -2.945 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.154 -3.450 -3.915 1.00 0.00 H new ATOM 386 N GLU A 91 -7.418 3.777 -1.557 1.00 0.00 N ATOM 387 CA GLU A 91 -6.634 4.817 -0.901 1.00 0.00 C ATOM 388 C GLU A 91 -6.299 4.415 0.537 1.00 0.00 C ATOM 389 O GLU A 91 -7.180 4.070 1.338 1.00 0.00 O ATOM 390 CB GLU A 91 -7.381 6.162 -0.926 1.00 0.00 C ATOM 391 CG GLU A 91 -6.620 7.309 -0.258 1.00 0.00 C ATOM 392 CD GLU A 91 -7.371 8.615 -0.309 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.276 8.836 0.522 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.066 9.451 -1.174 1.00 0.00 O ATOM 0 H GLU A 91 -8.403 4.010 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.700 4.935 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.588 6.432 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.344 6.041 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.421 7.050 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.654 7.431 -0.747 1.00 0.00 H new ATOM 401 N ALA A 92 -5.035 4.447 0.846 1.00 0.00 N ATOM 402 CA ALA A 92 -4.534 4.068 2.131 1.00 0.00 C ATOM 403 C ALA A 92 -3.377 4.960 2.513 1.00 0.00 C ATOM 404 O ALA A 92 -2.636 5.422 1.649 1.00 0.00 O ATOM 405 CB ALA A 92 -4.075 2.633 2.083 1.00 0.00 C ATOM 0 H ALA A 92 -4.309 4.745 0.195 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.324 4.174 2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.692 2.340 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.914 1.991 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.286 2.528 1.338 1.00 0.00 H new ATOM 411 N GLU A 93 -3.219 5.200 3.777 1.00 0.00 N ATOM 412 CA GLU A 93 -2.145 6.023 4.252 1.00 0.00 C ATOM 413 C GLU A 93 -1.082 5.154 4.893 1.00 0.00 C ATOM 414 O GLU A 93 -1.396 4.221 5.636 1.00 0.00 O ATOM 415 CB GLU A 93 -2.654 7.080 5.229 1.00 0.00 C ATOM 416 CG GLU A 93 -1.576 8.028 5.734 1.00 0.00 C ATOM 417 CD GLU A 93 -2.133 9.097 6.612 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.290 8.868 7.830 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.460 10.179 6.110 1.00 0.00 O ATOM 0 H GLU A 93 -3.827 4.833 4.509 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.704 6.550 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.436 7.662 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.112 6.580 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.826 7.462 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.069 8.485 4.884 1.00 0.00 H new ATOM 426 N ILE A 94 0.147 5.428 4.563 1.00 0.00 N ATOM 427 CA ILE A 94 1.285 4.683 5.080 1.00 0.00 C ATOM 428 C ILE A 94 1.577 5.051 6.533 1.00 0.00 C ATOM 429 O ILE A 94 1.778 6.222 6.861 1.00 0.00 O ATOM 430 CB ILE A 94 2.530 4.954 4.226 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.206 4.634 2.777 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.702 4.099 4.713 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.212 5.136 1.794 1.00 0.00 C ATOM 0 H ILE A 94 0.402 6.180 3.922 1.00 0.00 H new ATOM 0 HA ILE A 94 1.033 3.623 5.035 1.00 0.00 H new ATOM 0 HB ILE A 94 2.817 6.002 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.117 3.553 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.233 5.060 2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.579 4.301 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.923 4.343 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.440 3.044 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.902 4.864 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.286 6.221 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.183 4.690 2.008 1.00 0.00 H new ATOM 445 N GLU A 95 1.603 4.048 7.370 1.00 0.00 N ATOM 446 CA GLU A 95 1.881 4.193 8.797 1.00 0.00 C ATOM 447 C GLU A 95 3.340 3.873 9.098 1.00 0.00 C ATOM 448 O GLU A 95 3.956 4.465 9.988 1.00 0.00 O ATOM 449 CB GLU A 95 0.995 3.239 9.571 1.00 0.00 C ATOM 450 CG GLU A 95 -0.482 3.536 9.453 1.00 0.00 C ATOM 451 CD GLU A 95 -0.905 4.748 10.244 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.191 4.610 11.459 1.00 0.00 O ATOM 453 OE2 GLU A 95 -0.979 5.854 9.684 1.00 0.00 O ATOM 0 H GLU A 95 1.430 3.084 7.086 1.00 0.00 H new ATOM 0 HA GLU A 95 1.681 5.223 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.180 2.223 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.278 3.270 10.623 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.733 3.688 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.049 2.670 9.794 1.00 0.00 H new ATOM 460 N GLU A 96 3.887 2.944 8.353 1.00 0.00 N ATOM 461 CA GLU A 96 5.254 2.511 8.537 1.00 0.00 C ATOM 462 C GLU A 96 5.740 1.858 7.263 1.00 0.00 C ATOM 463 O GLU A 96 4.939 1.349 6.486 1.00 0.00 O ATOM 464 CB GLU A 96 5.371 1.535 9.728 1.00 0.00 C ATOM 465 CG GLU A 96 6.791 1.044 9.998 1.00 0.00 C ATOM 466 CD GLU A 96 7.760 2.167 10.293 1.00 0.00 C ATOM 467 OE1 GLU A 96 8.277 2.801 9.343 1.00 0.00 O ATOM 468 OE2 GLU A 96 8.030 2.430 11.476 1.00 0.00 O ATOM 0 H GLU A 96 3.396 2.464 7.599 1.00 0.00 H new ATOM 0 HA GLU A 96 5.876 3.378 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.992 2.026 10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.730 0.673 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.776 0.354 10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.146 0.483 9.133 1.00 0.00 H new ATOM 475 N ILE A 97 7.019 1.911 7.039 1.00 0.00 N ATOM 476 CA ILE A 97 7.638 1.343 5.874 1.00 0.00 C ATOM 477 C ILE A 97 8.662 0.319 6.320 1.00 0.00 C ATOM 478 O ILE A 97 9.417 0.563 7.254 1.00 0.00 O ATOM 479 CB ILE A 97 8.318 2.461 5.060 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.271 3.479 4.692 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.982 1.915 3.794 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.834 4.807 4.385 1.00 0.00 C ATOM 0 H ILE A 97 7.678 2.360 7.675 1.00 0.00 H new ATOM 0 HA ILE A 97 6.891 0.858 5.245 1.00 0.00 H new ATOM 0 HB ILE A 97 9.102 2.914 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.712 3.120 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.561 3.574 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.450 2.733 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.740 1.181 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.229 1.441 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.027 5.494 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.369 5.186 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.522 4.725 3.544 1.00 0.00 H new ATOM 494 N ASP A 98 8.657 -0.807 5.686 1.00 0.00 N ATOM 495 CA ASP A 98 9.590 -1.867 5.964 1.00 0.00 C ATOM 496 C ASP A 98 10.483 -1.984 4.765 1.00 0.00 C ATOM 497 O ASP A 98 10.168 -2.661 3.781 1.00 0.00 O ATOM 498 CB ASP A 98 8.857 -3.181 6.203 1.00 0.00 C ATOM 499 CG ASP A 98 9.770 -4.273 6.675 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.527 -4.840 5.868 1.00 0.00 O ATOM 501 OD2 ASP A 98 9.745 -4.586 7.900 1.00 0.00 O ATOM 0 H ASP A 98 7.993 -1.028 4.944 1.00 0.00 H new ATOM 0 HA ASP A 98 10.165 -1.647 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.071 -3.025 6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.369 -3.494 5.280 1.00 0.00 H new ATOM 506 N GLU A 99 11.561 -1.262 4.817 1.00 0.00 N ATOM 507 CA GLU A 99 12.492 -1.165 3.721 1.00 0.00 C ATOM 508 C GLU A 99 13.208 -2.479 3.425 1.00 0.00 C ATOM 509 O GLU A 99 13.758 -2.658 2.329 1.00 0.00 O ATOM 510 CB GLU A 99 13.492 -0.063 3.978 1.00 0.00 C ATOM 511 CG GLU A 99 12.859 1.312 4.187 1.00 0.00 C ATOM 512 CD GLU A 99 13.877 2.398 4.424 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.468 2.888 3.446 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.118 2.782 5.592 1.00 0.00 O ATOM 0 H GLU A 99 11.828 -0.712 5.634 1.00 0.00 H new ATOM 0 HA GLU A 99 11.907 -0.925 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.081 -0.319 4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.183 -0.010 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.260 1.567 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.179 1.267 5.037 1.00 0.00 H new ATOM 521 N GLU A 100 13.197 -3.387 4.378 1.00 0.00 N ATOM 522 CA GLU A 100 13.905 -4.641 4.242 1.00 0.00 C ATOM 523 C GLU A 100 13.157 -5.545 3.264 1.00 0.00 C ATOM 524 O GLU A 100 13.763 -6.129 2.359 1.00 0.00 O ATOM 525 CB GLU A 100 13.985 -5.287 5.630 1.00 0.00 C ATOM 526 CG GLU A 100 15.024 -6.393 5.822 1.00 0.00 C ATOM 527 CD GLU A 100 14.775 -7.626 5.010 1.00 0.00 C ATOM 528 OE1 GLU A 100 13.780 -8.326 5.265 1.00 0.00 O ATOM 529 OE2 GLU A 100 15.569 -7.909 4.088 1.00 0.00 O ATOM 0 H GLU A 100 12.701 -3.278 5.262 1.00 0.00 H new ATOM 0 HA GLU A 100 14.911 -4.482 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.188 -4.502 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.004 -5.698 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.008 -5.998 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.054 -6.667 6.876 1.00 0.00 H new ATOM 536 N ASN A 101 11.847 -5.596 3.406 1.00 0.00 N ATOM 537 CA ASN A 101 11.009 -6.408 2.520 1.00 0.00 C ATOM 538 C ASN A 101 10.535 -5.590 1.363 1.00 0.00 C ATOM 539 O ASN A 101 10.027 -6.132 0.368 1.00 0.00 O ATOM 540 CB ASN A 101 9.775 -6.953 3.247 1.00 0.00 C ATOM 541 CG ASN A 101 10.075 -7.949 4.341 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.087 -9.169 4.115 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.319 -7.461 5.518 1.00 0.00 N ATOM 0 H ASN A 101 11.332 -5.087 4.124 1.00 0.00 H new ATOM 0 HA ASN A 101 11.624 -7.241 2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.225 -6.116 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.118 -7.424 2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.530 -8.086 6.296 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.300 -6.452 5.666 1.00 0.00 H new ATOM 550 N GLY A 102 10.695 -4.282 1.481 1.00 0.00 N ATOM 551 CA GLY A 102 10.174 -3.399 0.487 1.00 0.00 C ATOM 552 C GLY A 102 8.677 -3.298 0.638 1.00 0.00 C ATOM 553 O GLY A 102 7.942 -3.129 -0.347 1.00 0.00 O ATOM 0 H GLY A 102 11.179 -3.825 2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.628 -2.413 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.426 -3.766 -0.508 1.00 0.00 H new ATOM 557 N THR A 103 8.213 -3.424 1.860 1.00 0.00 N ATOM 558 CA THR A 103 6.819 -3.367 2.144 1.00 0.00 C ATOM 559 C THR A 103 6.484 -2.150 2.974 1.00 0.00 C ATOM 560 O THR A 103 7.365 -1.457 3.459 1.00 0.00 O ATOM 561 CB THR A 103 6.344 -4.660 2.843 1.00 0.00 C ATOM 562 OG1 THR A 103 7.216 -4.966 3.941 1.00 0.00 O ATOM 563 CG2 THR A 103 6.319 -5.833 1.874 1.00 0.00 C ATOM 0 H THR A 103 8.803 -3.569 2.679 1.00 0.00 H new ATOM 0 HA THR A 103 6.288 -3.283 1.196 1.00 0.00 H new ATOM 0 HB THR A 103 5.331 -4.494 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.910 -5.786 4.383 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.981 -6.728 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.637 -5.612 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.321 -6.000 1.479 1.00 0.00 H new ATOM 571 N ALA A 104 5.234 -1.849 3.058 1.00 0.00 N ATOM 572 CA ALA A 104 4.772 -0.777 3.870 1.00 0.00 C ATOM 573 C ALA A 104 3.510 -1.190 4.571 1.00 0.00 C ATOM 574 O ALA A 104 2.712 -1.962 4.031 1.00 0.00 O ATOM 575 CB ALA A 104 4.531 0.461 3.032 1.00 0.00 C ATOM 0 H ALA A 104 4.496 -2.346 2.559 1.00 0.00 H new ATOM 0 HA ALA A 104 5.534 -0.538 4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.178 1.270 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.461 0.760 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.780 0.245 2.272 1.00 0.00 H new ATOM 581 N ALA A 105 3.355 -0.719 5.762 1.00 0.00 N ATOM 582 CA ALA A 105 2.181 -0.953 6.535 1.00 0.00 C ATOM 583 C ALA A 105 1.276 0.225 6.319 1.00 0.00 C ATOM 584 O ALA A 105 1.651 1.381 6.601 1.00 0.00 O ATOM 585 CB ALA A 105 2.537 -1.115 7.990 1.00 0.00 C ATOM 0 H ALA A 105 4.055 -0.148 6.236 1.00 0.00 H new ATOM 0 HA ALA A 105 1.681 -1.872 6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.631 -1.293 8.569 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.214 -1.961 8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.024 -0.208 8.349 1.00 0.00 H new ATOM 591 N ILE A 106 0.134 -0.036 5.787 1.00 0.00 N ATOM 592 CA ILE A 106 -0.762 1.002 5.370 1.00 0.00 C ATOM 593 C ILE A 106 -2.123 0.829 6.003 1.00 0.00 C ATOM 594 O ILE A 106 -2.522 -0.285 6.328 1.00 0.00 O ATOM 595 CB ILE A 106 -0.894 0.994 3.812 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.376 -0.372 3.296 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.398 1.384 3.134 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.847 -0.438 3.078 1.00 0.00 C ATOM 0 H ILE A 106 -0.214 -0.981 5.625 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.354 1.959 5.695 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.644 1.743 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.867 -0.598 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.087 -1.144 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.262 1.365 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.684 2.388 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.182 0.680 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.117 -1.429 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.363 -0.244 4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.140 0.311 2.342 1.00 0.00 H new ATOM 610 N THR A 107 -2.818 1.914 6.177 1.00 0.00 N ATOM 611 CA THR A 107 -4.146 1.892 6.703 1.00 0.00 C ATOM 612 C THR A 107 -5.108 2.477 5.671 1.00 0.00 C ATOM 613 O THR A 107 -4.921 3.600 5.209 1.00 0.00 O ATOM 614 CB THR A 107 -4.216 2.677 8.021 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.278 2.105 8.946 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.614 2.613 8.626 1.00 0.00 C ATOM 0 H THR A 107 -2.473 2.848 5.955 1.00 0.00 H new ATOM 0 HA THR A 107 -4.434 0.862 6.913 1.00 0.00 H new ATOM 0 HB THR A 107 -3.976 3.721 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.311 2.598 9.792 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.633 3.178 9.558 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.333 3.041 7.927 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.877 1.574 8.826 1.00 0.00 H new ATOM 624 N PHE A 108 -6.105 1.700 5.304 1.00 0.00 N ATOM 625 CA PHE A 108 -7.087 2.089 4.308 1.00 0.00 C ATOM 626 C PHE A 108 -7.966 3.208 4.807 1.00 0.00 C ATOM 627 O PHE A 108 -8.699 3.043 5.799 1.00 0.00 O ATOM 628 CB PHE A 108 -7.925 0.890 3.869 1.00 0.00 C ATOM 629 CG PHE A 108 -7.141 -0.113 3.084 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.846 0.143 1.757 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.694 -1.301 3.659 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.119 -0.755 1.007 1.00 0.00 C ATOM 633 CE2 PHE A 108 -5.967 -2.207 2.912 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.676 -1.932 1.583 1.00 0.00 C ATOM 0 H PHE A 108 -6.260 0.769 5.692 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.544 2.460 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.346 0.405 4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.763 1.240 3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.191 1.060 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.917 -1.514 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.896 -0.541 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.626 -3.128 3.361 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.104 -2.637 0.999 1.00 0.00 H new ATOM 644 N ALA A 109 -7.917 4.315 4.100 1.00 0.00 N ATOM 645 CA ALA A 109 -8.617 5.517 4.474 1.00 0.00 C ATOM 646 C ALA A 109 -10.105 5.339 4.274 1.00 0.00 C ATOM 647 O ALA A 109 -10.552 4.895 3.209 1.00 0.00 O ATOM 648 CB ALA A 109 -8.101 6.696 3.664 1.00 0.00 C ATOM 0 H ALA A 109 -7.381 4.404 3.237 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.436 5.719 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.637 7.600 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.036 6.829 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.260 6.506 2.603 1.00 0.00 H new ATOM 654 N GLY A 110 -10.855 5.620 5.302 1.00 0.00 N ATOM 655 CA GLY A 110 -12.282 5.498 5.235 1.00 0.00 C ATOM 656 C GLY A 110 -12.759 4.200 5.836 1.00 0.00 C ATOM 657 O GLY A 110 -13.661 4.189 6.675 1.00 0.00 O ATOM 0 H GLY A 110 -10.497 5.938 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.744 6.334 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.604 5.558 4.195 1.00 0.00 H new ATOM 661 N TYR A 111 -12.151 3.109 5.428 1.00 0.00 N ATOM 662 CA TYR A 111 -12.534 1.802 5.898 1.00 0.00 C ATOM 663 C TYR A 111 -11.944 1.498 7.277 1.00 0.00 C ATOM 664 O TYR A 111 -12.661 1.071 8.186 1.00 0.00 O ATOM 665 CB TYR A 111 -12.083 0.767 4.910 1.00 0.00 C ATOM 666 CG TYR A 111 -12.539 1.019 3.492 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.820 0.690 3.086 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.665 1.546 2.548 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.227 0.882 1.781 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.057 1.748 1.245 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.346 1.412 0.864 1.00 0.00 C ATOM 672 OH TYR A 111 -13.764 1.607 -0.441 1.00 0.00 O ATOM 0 H TYR A 111 -11.378 3.105 4.762 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.620 1.781 5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -10.994 0.717 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.451 -0.208 5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.514 0.276 3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.658 1.802 2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.230 0.618 1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.367 2.164 0.526 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.073 1.285 -1.057 1.00 0.00 H new ATOM 682 N GLY A 112 -10.649 1.710 7.435 1.00 0.00 N ATOM 683 CA GLY A 112 -10.028 1.485 8.727 1.00 0.00 C ATOM 684 C GLY A 112 -9.320 0.142 8.882 1.00 0.00 C ATOM 685 O GLY A 112 -9.237 -0.383 9.987 1.00 0.00 O ATOM 0 H GLY A 112 -10.018 2.031 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.306 2.281 8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.793 1.566 9.499 1.00 0.00 H new ATOM 689 N ASN A 113 -8.830 -0.438 7.800 1.00 0.00 N ATOM 690 CA ASN A 113 -8.028 -1.672 7.926 1.00 0.00 C ATOM 691 C ASN A 113 -6.593 -1.359 7.679 1.00 0.00 C ATOM 692 O ASN A 113 -6.276 -0.305 7.140 1.00 0.00 O ATOM 693 CB ASN A 113 -8.425 -2.800 6.974 1.00 0.00 C ATOM 694 CG ASN A 113 -9.767 -3.437 7.229 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.291 -3.439 8.351 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.288 -4.049 6.214 1.00 0.00 N ATOM 0 H ASN A 113 -8.960 -0.099 6.847 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.214 -2.029 8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.418 -2.410 5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.661 -3.576 7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.165 -4.559 6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.822 -4.021 5.307 1.00 0.00 H new ATOM 703 N ALA A 114 -5.736 -2.281 7.998 1.00 0.00 N ATOM 704 CA ALA A 114 -4.323 -2.084 7.848 1.00 0.00 C ATOM 705 C ALA A 114 -3.688 -3.345 7.337 1.00 0.00 C ATOM 706 O ALA A 114 -4.030 -4.450 7.791 1.00 0.00 O ATOM 707 CB ALA A 114 -3.695 -1.676 9.175 1.00 0.00 C ATOM 0 H ALA A 114 -5.996 -3.194 8.371 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.153 -1.282 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.623 -1.531 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.146 -0.746 9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.866 -2.459 9.914 1.00 0.00 H new ATOM 713 N GLU A 115 -2.795 -3.210 6.393 1.00 0.00 N ATOM 714 CA GLU A 115 -2.102 -4.348 5.872 1.00 0.00 C ATOM 715 C GLU A 115 -0.688 -3.983 5.512 1.00 0.00 C ATOM 716 O GLU A 115 -0.364 -2.801 5.339 1.00 0.00 O ATOM 717 CB GLU A 115 -2.813 -4.982 4.661 1.00 0.00 C ATOM 718 CG GLU A 115 -2.770 -4.221 3.352 1.00 0.00 C ATOM 719 CD GLU A 115 -3.162 -5.131 2.205 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.376 -5.308 1.944 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.255 -5.741 1.596 1.00 0.00 O ATOM 0 H GLU A 115 -2.533 -2.319 5.971 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.095 -5.098 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.378 -5.967 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.859 -5.136 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.447 -3.368 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.768 -3.825 3.186 1.00 0.00 H new ATOM 728 N VAL A 116 0.143 -4.980 5.432 1.00 0.00 N ATOM 729 CA VAL A 116 1.503 -4.820 5.015 1.00 0.00 C ATOM 730 C VAL A 116 1.566 -5.212 3.553 1.00 0.00 C ATOM 731 O VAL A 116 1.375 -6.383 3.194 1.00 0.00 O ATOM 732 CB VAL A 116 2.474 -5.698 5.856 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.916 -5.496 5.415 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.330 -5.386 7.337 1.00 0.00 C ATOM 0 H VAL A 116 -0.110 -5.942 5.658 1.00 0.00 H new ATOM 0 HA VAL A 116 1.817 -3.787 5.162 1.00 0.00 H new ATOM 0 HB VAL A 116 2.209 -6.742 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.572 -6.122 6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.017 -5.772 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.193 -4.450 5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.017 -6.010 7.909 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.563 -4.336 7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.307 -5.589 7.654 1.00 0.00 H new ATOM 744 N THR A 117 1.785 -4.254 2.727 1.00 0.00 N ATOM 745 CA THR A 117 1.763 -4.458 1.308 1.00 0.00 C ATOM 746 C THR A 117 3.052 -3.892 0.691 1.00 0.00 C ATOM 747 O THR A 117 3.579 -2.893 1.179 1.00 0.00 O ATOM 748 CB THR A 117 0.474 -3.822 0.675 1.00 0.00 C ATOM 749 OG1 THR A 117 0.323 -4.204 -0.701 1.00 0.00 O ATOM 750 CG2 THR A 117 0.491 -2.310 0.782 1.00 0.00 C ATOM 0 H THR A 117 1.987 -3.295 3.010 1.00 0.00 H new ATOM 0 HA THR A 117 1.724 -5.526 1.092 1.00 0.00 H new ATOM 0 HB THR A 117 -0.375 -4.204 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.329 -4.933 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.416 -1.903 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.539 -2.020 1.832 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.362 -1.918 0.257 1.00 0.00 H new ATOM 758 N PRO A 118 3.636 -4.576 -0.306 1.00 0.00 N ATOM 759 CA PRO A 118 4.859 -4.124 -0.957 1.00 0.00 C ATOM 760 C PRO A 118 4.697 -2.763 -1.631 1.00 0.00 C ATOM 761 O PRO A 118 3.626 -2.428 -2.138 1.00 0.00 O ATOM 762 CB PRO A 118 5.147 -5.208 -1.998 1.00 0.00 C ATOM 763 CG PRO A 118 3.845 -5.866 -2.218 1.00 0.00 C ATOM 764 CD PRO A 118 3.135 -5.817 -0.899 1.00 0.00 C ATOM 0 HA PRO A 118 5.666 -3.988 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.535 -4.778 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.893 -5.916 -1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.272 -5.352 -2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.978 -6.895 -2.552 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.052 -5.797 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.369 -6.684 -0.281 1.00 0.00 H new ATOM 772 N LEU A 119 5.772 -2.006 -1.645 1.00 0.00 N ATOM 773 CA LEU A 119 5.842 -0.668 -2.264 1.00 0.00 C ATOM 774 C LEU A 119 5.440 -0.712 -3.742 1.00 0.00 C ATOM 775 O LEU A 119 5.029 0.293 -4.321 1.00 0.00 O ATOM 776 CB LEU A 119 7.254 -0.090 -2.116 1.00 0.00 C ATOM 777 CG LEU A 119 7.803 -0.011 -0.682 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.207 0.550 -0.666 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.895 0.800 0.229 1.00 0.00 C ATOM 0 H LEU A 119 6.652 -2.296 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 119 5.134 -0.022 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.937 -0.695 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.261 0.913 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 119 7.834 -1.030 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.569 0.594 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.862 -0.092 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.203 1.553 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.320 0.831 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.804 1.815 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.909 0.336 0.266 1.00 0.00 H new ATOM 791 N LEU A 120 5.612 -1.873 -4.349 1.00 0.00 N ATOM 792 CA LEU A 120 5.238 -2.103 -5.738 1.00 0.00 C ATOM 793 C LEU A 120 3.713 -2.025 -5.892 1.00 0.00 C ATOM 794 O LEU A 120 3.188 -1.542 -6.903 1.00 0.00 O ATOM 795 CB LEU A 120 5.791 -3.468 -6.204 1.00 0.00 C ATOM 796 CG LEU A 120 5.056 -4.733 -5.755 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.017 -5.113 -6.792 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.041 -5.865 -5.513 1.00 0.00 C ATOM 0 H LEU A 120 6.017 -2.689 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 120 5.673 -1.329 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.814 -3.464 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.824 -3.543 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 120 4.545 -4.538 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.495 -6.014 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.301 -4.299 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.508 -5.299 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.500 -6.756 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.583 -6.079 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.748 -5.573 -4.736 1.00 0.00 H new ATOM 810 N ASN A 121 3.019 -2.448 -4.853 1.00 0.00 N ATOM 811 CA ASN A 121 1.579 -2.473 -4.845 1.00 0.00 C ATOM 812 C ASN A 121 1.038 -1.092 -4.634 1.00 0.00 C ATOM 813 O ASN A 121 -0.055 -0.768 -5.105 1.00 0.00 O ATOM 814 CB ASN A 121 1.022 -3.426 -3.774 1.00 0.00 C ATOM 815 CG ASN A 121 0.975 -4.878 -4.177 1.00 0.00 C ATOM 816 OD1 ASN A 121 0.952 -5.210 -5.352 1.00 0.00 O ATOM 817 ND2 ASN A 121 0.839 -5.737 -3.205 1.00 0.00 N ATOM 0 H ASN A 121 3.445 -2.784 -3.990 1.00 0.00 H new ATOM 0 HA ASN A 121 1.256 -2.846 -5.817 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.631 -3.333 -2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.014 -3.104 -3.511 1.00 0.00 H new ATOM 0 HD21 ASN A 121 0.708 -6.727 -3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 121 0.864 -5.419 -2.236 1.00 0.00 H new ATOM 824 N LEU A 122 1.825 -0.261 -3.987 1.00 0.00 N ATOM 825 CA LEU A 122 1.411 1.080 -3.685 1.00 0.00 C ATOM 826 C LEU A 122 1.530 1.961 -4.899 1.00 0.00 C ATOM 827 O LEU A 122 2.546 1.971 -5.575 1.00 0.00 O ATOM 828 CB LEU A 122 2.237 1.658 -2.547 1.00 0.00 C ATOM 829 CG LEU A 122 2.145 0.935 -1.217 1.00 0.00 C ATOM 830 CD1 LEU A 122 2.995 1.640 -0.182 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.707 0.866 -0.763 1.00 0.00 C ATOM 0 H LEU A 122 2.762 -0.499 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 122 0.366 1.044 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.282 1.674 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.933 2.694 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 122 2.519 -0.081 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.922 1.113 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.034 1.652 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.642 2.664 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.652 0.345 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.313 1.876 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.117 0.327 -1.504 1.00 0.00 H new ATOM 843 N LYS A 123 0.478 2.663 -5.177 1.00 0.00 N ATOM 844 CA LYS A 123 0.423 3.581 -6.287 1.00 0.00 C ATOM 845 C LYS A 123 0.232 4.983 -5.751 1.00 0.00 C ATOM 846 O LYS A 123 -0.257 5.144 -4.629 1.00 0.00 O ATOM 847 CB LYS A 123 -0.731 3.224 -7.229 1.00 0.00 C ATOM 848 CG LYS A 123 -0.739 1.786 -7.676 1.00 0.00 C ATOM 849 CD LYS A 123 0.461 1.444 -8.535 1.00 0.00 C ATOM 850 CE LYS A 123 0.391 0.004 -8.987 1.00 0.00 C ATOM 851 NZ LYS A 123 0.602 -0.957 -7.888 1.00 0.00 N ATOM 0 H LYS A 123 -0.385 2.619 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 123 1.354 3.518 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.675 3.443 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.680 3.866 -8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.754 1.136 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.653 1.587 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.495 2.103 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.379 1.611 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -0.582 -0.181 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 123 1.141 -0.165 -9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.204 -1.881 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.621 -1.058 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.130 -0.611 -7.029 1.00 0.00 H new ATOM 865 N PRO A 124 0.602 6.004 -6.511 1.00 0.00 N ATOM 866 CA PRO A 124 0.356 7.383 -6.124 1.00 0.00 C ATOM 867 C PRO A 124 -1.119 7.722 -6.274 1.00 0.00 C ATOM 868 O PRO A 124 -1.817 7.143 -7.124 1.00 0.00 O ATOM 869 CB PRO A 124 1.216 8.210 -7.083 1.00 0.00 C ATOM 870 CG PRO A 124 1.525 7.313 -8.243 1.00 0.00 C ATOM 871 CD PRO A 124 1.285 5.890 -7.804 1.00 0.00 C ATOM 0 HA PRO A 124 0.607 7.578 -5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.684 9.103 -7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.131 8.545 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.893 7.561 -9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.559 7.445 -8.563 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.673 5.351 -8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.223 5.342 -7.709 1.00 0.00 H new