USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=12 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= -0.421 USER MOD Set 1.2: A 121 ASN :FLIP amide:sc= -1.62! F(o=-2.6,f=-2!) USER MOD Set 2.1: A 80 MET CE :methyl 154:sc= -0.203 (180deg=-0.884) USER MOD Set 2.2: A 89 CYS SG : rot 29:sc= 0.0385 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.12) USER MOD Single : A 79 CYS SG : rot -17:sc= -1.96! USER MOD Single : A 84 SER OG : rot -30:sc= 0.00245 USER MOD Single : A 88 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.16) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.905 K(o=0.91,f=-0.25) USER MOD Single : A 103 THR OG1 : rot 180:sc= -2.18 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0613) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.355 5.885 -0.978 1.00 0.00 N ATOM 112 CA TRP A 73 7.224 6.164 -0.139 1.00 0.00 C ATOM 113 C TRP A 73 7.650 6.610 1.235 1.00 0.00 C ATOM 114 O TRP A 73 8.726 6.234 1.705 1.00 0.00 O ATOM 115 CB TRP A 73 6.320 4.945 -0.051 1.00 0.00 C ATOM 116 CG TRP A 73 5.678 4.583 -1.356 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.005 3.549 -2.181 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.600 5.276 -1.990 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.182 3.549 -3.281 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.315 4.601 -3.185 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.843 6.402 -1.655 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.312 5.012 -4.048 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.850 6.809 -2.513 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.592 6.110 -3.698 1.00 0.00 C ATOM 0 HA TRP A 73 6.666 6.984 -0.591 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.902 4.096 0.307 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.541 5.132 0.689 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.794 2.835 -1.997 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.213 2.874 -4.045 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.035 6.942 -0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.110 4.479 -4.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.260 7.680 -2.270 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.802 6.452 -4.350 1.00 0.00 H new ATOM 135 N LYS A 74 6.832 7.419 1.864 1.00 0.00 N ATOM 136 CA LYS A 74 7.102 7.877 3.204 1.00 0.00 C ATOM 137 C LYS A 74 5.879 7.667 4.079 1.00 0.00 C ATOM 138 O LYS A 74 4.759 7.527 3.576 1.00 0.00 O ATOM 139 CB LYS A 74 7.499 9.354 3.240 1.00 0.00 C ATOM 140 CG LYS A 74 6.421 10.303 2.721 1.00 0.00 C ATOM 141 CD LYS A 74 6.718 11.748 3.088 1.00 0.00 C ATOM 142 CE LYS A 74 6.615 11.975 4.598 1.00 0.00 C ATOM 143 NZ LYS A 74 6.845 13.385 4.961 1.00 0.00 N ATOM 0 H LYS A 74 5.965 7.777 1.463 1.00 0.00 H new ATOM 0 HA LYS A 74 7.942 7.294 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.745 9.628 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.404 9.490 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.346 10.211 1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.454 10.015 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.719 12.013 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.020 12.407 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.628 11.668 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.343 11.345 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.766 13.495 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.796 13.672 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.135 13.984 4.494 1.00 0.00 H new ATOM 157 N VAL A 75 6.101 7.614 5.362 1.00 0.00 N ATOM 158 CA VAL A 75 5.041 7.499 6.333 1.00 0.00 C ATOM 159 C VAL A 75 4.157 8.748 6.280 1.00 0.00 C ATOM 160 O VAL A 75 4.664 9.876 6.256 1.00 0.00 O ATOM 161 CB VAL A 75 5.626 7.310 7.763 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.525 7.297 8.820 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.439 6.021 7.834 1.00 0.00 C ATOM 0 H VAL A 75 7.034 7.650 5.772 1.00 0.00 H new ATOM 0 HA VAL A 75 4.437 6.623 6.095 1.00 0.00 H new ATOM 0 HB VAL A 75 6.279 8.157 7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.969 7.163 9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.982 8.242 8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.836 6.477 8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.843 5.900 8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.797 5.173 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.259 6.068 7.117 1.00 0.00 H new ATOM 173 N GLY A 76 2.864 8.549 6.243 1.00 0.00 N ATOM 174 CA GLY A 76 1.944 9.654 6.218 1.00 0.00 C ATOM 175 C GLY A 76 1.596 10.095 4.820 1.00 0.00 C ATOM 176 O GLY A 76 0.967 11.147 4.629 1.00 0.00 O ATOM 0 H GLY A 76 2.425 7.628 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.031 9.372 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.378 10.494 6.761 1.00 0.00 H new ATOM 180 N ASP A 77 1.995 9.318 3.837 1.00 0.00 N ATOM 181 CA ASP A 77 1.692 9.660 2.458 1.00 0.00 C ATOM 182 C ASP A 77 0.448 8.962 2.053 1.00 0.00 C ATOM 183 O ASP A 77 0.009 8.015 2.724 1.00 0.00 O ATOM 184 CB ASP A 77 2.775 9.207 1.515 1.00 0.00 C ATOM 185 CG ASP A 77 2.973 10.185 0.365 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.015 10.467 -0.381 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.081 10.753 0.244 1.00 0.00 O ATOM 0 H ASP A 77 2.524 8.455 3.960 1.00 0.00 H new ATOM 0 HA ASP A 77 1.596 10.744 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.711 9.097 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.522 8.225 1.116 1.00 0.00 H new ATOM 192 N LYS A 78 -0.089 9.357 0.950 1.00 0.00 N ATOM 193 CA LYS A 78 -1.251 8.744 0.466 1.00 0.00 C ATOM 194 C LYS A 78 -0.849 7.884 -0.675 1.00 0.00 C ATOM 195 O LYS A 78 -0.181 8.331 -1.609 1.00 0.00 O ATOM 196 CB LYS A 78 -2.270 9.762 -0.022 1.00 0.00 C ATOM 197 CG LYS A 78 -2.659 10.811 0.981 1.00 0.00 C ATOM 198 CD LYS A 78 -3.401 10.249 2.172 1.00 0.00 C ATOM 199 CE LYS A 78 -3.867 11.398 3.061 1.00 0.00 C ATOM 200 NZ LYS A 78 -4.546 10.937 4.275 1.00 0.00 N ATOM 0 H LYS A 78 0.273 10.113 0.369 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.716 8.174 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.869 10.258 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.169 9.231 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.762 11.323 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.283 11.559 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.256 9.662 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.753 9.577 2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.007 12.007 3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.542 12.039 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.252 11.643 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.020 10.031 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.849 10.810 5.036 1.00 0.00 H new ATOM 214 N CYS A 79 -1.271 6.711 -0.628 1.00 0.00 N ATOM 215 CA CYS A 79 -0.996 5.775 -1.657 1.00 0.00 C ATOM 216 C CYS A 79 -2.223 4.979 -1.916 1.00 0.00 C ATOM 217 O CYS A 79 -3.233 5.139 -1.229 1.00 0.00 O ATOM 218 CB CYS A 79 0.137 4.848 -1.232 1.00 0.00 C ATOM 219 SG CYS A 79 -0.188 3.928 0.307 1.00 0.00 S ATOM 0 H CYS A 79 -1.835 6.340 0.137 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.694 6.303 -2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.329 4.136 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.045 5.437 -1.105 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.172 4.486 0.947 1.00 0.00 H new ATOM 225 N MET A 80 -2.176 4.180 -2.905 1.00 0.00 N ATOM 226 CA MET A 80 -3.223 3.271 -3.145 1.00 0.00 C ATOM 227 C MET A 80 -2.654 1.922 -2.993 1.00 0.00 C ATOM 228 O MET A 80 -1.596 1.634 -3.537 1.00 0.00 O ATOM 229 CB MET A 80 -3.853 3.425 -4.513 1.00 0.00 C ATOM 230 CG MET A 80 -4.292 4.829 -4.824 1.00 0.00 C ATOM 231 SD MET A 80 -5.382 4.911 -6.239 1.00 0.00 S ATOM 232 CE MET A 80 -6.828 4.066 -5.584 1.00 0.00 C ATOM 0 H MET A 80 -1.408 4.136 -3.575 1.00 0.00 H new ATOM 0 HA MET A 80 -4.028 3.461 -2.435 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.139 3.101 -5.270 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.715 2.761 -4.583 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.799 5.248 -3.955 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.414 5.448 -5.010 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.719 4.411 -6.108 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.717 2.991 -5.726 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.926 4.283 -4.520 1.00 0.00 H new ATOM 242 N ALA A 81 -3.318 1.120 -2.264 1.00 0.00 N ATOM 243 CA ALA A 81 -2.854 -0.185 -1.973 1.00 0.00 C ATOM 244 C ALA A 81 -3.820 -1.166 -2.523 1.00 0.00 C ATOM 245 O ALA A 81 -5.006 -0.858 -2.662 1.00 0.00 O ATOM 246 CB ALA A 81 -2.743 -0.356 -0.482 1.00 0.00 C ATOM 0 H ALA A 81 -4.217 1.349 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.873 -0.344 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.386 -1.361 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.041 0.377 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.721 -0.208 -0.025 1.00 0.00 H new ATOM 252 N VAL A 82 -3.333 -2.314 -2.851 1.00 0.00 N ATOM 253 CA VAL A 82 -4.161 -3.361 -3.351 1.00 0.00 C ATOM 254 C VAL A 82 -4.681 -4.116 -2.163 1.00 0.00 C ATOM 255 O VAL A 82 -3.906 -4.720 -1.433 1.00 0.00 O ATOM 256 CB VAL A 82 -3.357 -4.319 -4.276 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.237 -5.434 -4.818 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.702 -3.549 -5.417 1.00 0.00 C ATOM 0 H VAL A 82 -2.344 -2.555 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.975 -2.944 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.572 -4.776 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.645 -6.085 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.642 -6.013 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.056 -5.004 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.146 -4.240 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.471 -3.053 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.021 -2.803 -5.008 1.00 0.00 H new ATOM 268 N TRP A 83 -5.975 -4.038 -1.955 1.00 0.00 N ATOM 269 CA TRP A 83 -6.608 -4.675 -0.844 1.00 0.00 C ATOM 270 C TRP A 83 -6.517 -6.157 -1.037 1.00 0.00 C ATOM 271 O TRP A 83 -7.078 -6.692 -1.991 1.00 0.00 O ATOM 272 CB TRP A 83 -8.075 -4.232 -0.727 1.00 0.00 C ATOM 273 CG TRP A 83 -8.720 -4.606 0.585 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.099 -4.704 1.786 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.105 -4.876 0.841 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.978 -5.044 2.762 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.220 -5.150 2.219 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.255 -4.923 0.052 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.427 -5.464 2.821 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.459 -5.235 0.660 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.530 -5.501 2.032 1.00 0.00 C ATOM 0 H TRP A 83 -6.615 -3.525 -2.561 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.106 -4.390 0.081 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.130 -3.151 -0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.646 -4.677 -1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.044 -4.534 1.945 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.745 -5.195 3.743 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.207 -4.721 -1.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.488 -5.672 3.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.359 -5.274 0.065 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.486 -5.742 2.473 1.00 0.00 H new ATOM 292 N SER A 84 -5.826 -6.802 -0.136 1.00 0.00 N ATOM 293 CA SER A 84 -5.557 -8.237 -0.173 1.00 0.00 C ATOM 294 C SER A 84 -6.870 -9.059 -0.180 1.00 0.00 C ATOM 295 O SER A 84 -6.874 -10.247 -0.484 1.00 0.00 O ATOM 296 CB SER A 84 -4.665 -8.617 1.034 1.00 0.00 C ATOM 297 OG SER A 84 -4.133 -9.936 0.931 1.00 0.00 O ATOM 0 H SER A 84 -5.416 -6.339 0.675 1.00 0.00 H new ATOM 0 HA SER A 84 -5.031 -8.475 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.845 -7.904 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.248 -8.535 1.951 1.00 0.00 H new ATOM 0 HG SER A 84 -4.760 -10.504 0.436 1.00 0.00 H new ATOM 303 N GLU A 85 -7.962 -8.424 0.185 1.00 0.00 N ATOM 304 CA GLU A 85 -9.249 -9.068 0.207 1.00 0.00 C ATOM 305 C GLU A 85 -9.938 -9.052 -1.163 1.00 0.00 C ATOM 306 O GLU A 85 -10.514 -10.060 -1.586 1.00 0.00 O ATOM 307 CB GLU A 85 -10.130 -8.379 1.213 1.00 0.00 C ATOM 308 CG GLU A 85 -9.612 -8.423 2.629 1.00 0.00 C ATOM 309 CD GLU A 85 -9.576 -9.810 3.188 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.634 -10.317 3.613 1.00 0.00 O ATOM 311 OE2 GLU A 85 -8.494 -10.430 3.200 1.00 0.00 O ATOM 0 H GLU A 85 -7.979 -7.446 0.474 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.089 -10.111 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.254 -7.337 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.119 -8.837 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.609 -7.998 2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.242 -7.797 3.261 1.00 0.00 H new ATOM 318 N ASP A 86 -9.874 -7.924 -1.855 1.00 0.00 N ATOM 319 CA ASP A 86 -10.647 -7.780 -3.097 1.00 0.00 C ATOM 320 C ASP A 86 -9.753 -7.792 -4.336 1.00 0.00 C ATOM 321 O ASP A 86 -10.201 -8.077 -5.436 1.00 0.00 O ATOM 322 CB ASP A 86 -11.464 -6.481 -3.043 1.00 0.00 C ATOM 323 CG ASP A 86 -12.498 -6.367 -4.143 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.623 -6.899 -3.967 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.232 -5.740 -5.177 1.00 0.00 O ATOM 0 H ASP A 86 -9.314 -7.112 -1.595 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.317 -8.636 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.965 -6.417 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.784 -5.631 -3.106 1.00 0.00 H new ATOM 330 N GLY A 87 -8.480 -7.525 -4.144 1.00 0.00 N ATOM 331 CA GLY A 87 -7.543 -7.501 -5.256 1.00 0.00 C ATOM 332 C GLY A 87 -7.542 -6.179 -6.002 1.00 0.00 C ATOM 333 O GLY A 87 -6.928 -6.051 -7.070 1.00 0.00 O ATOM 0 H GLY A 87 -8.067 -7.322 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.539 -7.702 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.791 -8.304 -5.950 1.00 0.00 H new ATOM 337 N GLN A 88 -8.197 -5.188 -5.447 1.00 0.00 N ATOM 338 CA GLN A 88 -8.290 -3.883 -6.090 1.00 0.00 C ATOM 339 C GLN A 88 -7.563 -2.834 -5.293 1.00 0.00 C ATOM 340 O GLN A 88 -7.258 -3.046 -4.127 1.00 0.00 O ATOM 341 CB GLN A 88 -9.735 -3.474 -6.334 1.00 0.00 C ATOM 342 CG GLN A 88 -10.430 -4.265 -7.425 1.00 0.00 C ATOM 343 CD GLN A 88 -9.807 -4.067 -8.791 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.180 -3.160 -9.527 1.00 0.00 O ATOM 345 NE2 GLN A 88 -8.885 -4.917 -9.160 1.00 0.00 N ATOM 0 H GLN A 88 -8.677 -5.253 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.806 -3.968 -7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.295 -3.588 -5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.762 -2.416 -6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.404 -5.325 -7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.479 -3.973 -7.465 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.595 -5.662 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.456 -4.836 -10.082 1.00 0.00 H new ATOM 354 N CYS A 89 -7.309 -1.713 -5.906 1.00 0.00 N ATOM 355 CA CYS A 89 -6.544 -0.658 -5.274 1.00 0.00 C ATOM 356 C CYS A 89 -7.452 0.395 -4.658 1.00 0.00 C ATOM 357 O CYS A 89 -8.417 0.837 -5.279 1.00 0.00 O ATOM 358 CB CYS A 89 -5.573 -0.028 -6.267 1.00 0.00 C ATOM 359 SG CYS A 89 -6.348 0.641 -7.756 1.00 0.00 S ATOM 0 H CYS A 89 -7.621 -1.498 -6.853 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.965 -1.105 -4.466 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.029 0.773 -5.765 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.838 -0.777 -6.561 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.561 1.020 -7.481 1.00 0.00 H new ATOM 365 N TYR A 90 -7.135 0.782 -3.444 1.00 0.00 N ATOM 366 CA TYR A 90 -7.905 1.746 -2.669 1.00 0.00 C ATOM 367 C TYR A 90 -6.948 2.712 -1.998 1.00 0.00 C ATOM 368 O TYR A 90 -5.776 2.378 -1.823 1.00 0.00 O ATOM 369 CB TYR A 90 -8.728 1.033 -1.597 1.00 0.00 C ATOM 370 CG TYR A 90 -9.787 0.083 -2.121 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.448 -1.189 -2.573 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.121 0.448 -2.143 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.400 -2.058 -3.037 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.086 -0.422 -2.598 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.722 -1.672 -3.048 1.00 0.00 C ATOM 376 OH TYR A 90 -12.686 -2.545 -3.490 1.00 0.00 O ATOM 0 H TYR A 90 -6.315 0.430 -2.950 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.581 2.281 -3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.049 0.475 -0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.213 1.785 -0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.413 -1.497 -2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.410 1.430 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.116 -3.038 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.125 -0.126 -2.602 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.566 -2.117 -3.432 1.00 0.00 H new ATOM 386 N GLU A 91 -7.431 3.885 -1.627 1.00 0.00 N ATOM 387 CA GLU A 91 -6.596 4.904 -0.998 1.00 0.00 C ATOM 388 C GLU A 91 -6.261 4.492 0.432 1.00 0.00 C ATOM 389 O GLU A 91 -7.141 4.097 1.218 1.00 0.00 O ATOM 390 CB GLU A 91 -7.306 6.260 -0.988 1.00 0.00 C ATOM 391 CG GLU A 91 -6.522 7.370 -0.294 1.00 0.00 C ATOM 392 CD GLU A 91 -7.325 8.628 -0.120 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.113 8.717 0.850 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.185 9.557 -0.932 1.00 0.00 O ATOM 0 H GLU A 91 -8.405 4.161 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.677 4.997 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.507 6.560 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.271 6.149 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.190 7.018 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.626 7.593 -0.874 1.00 0.00 H new ATOM 401 N ALA A 92 -5.006 4.571 0.748 1.00 0.00 N ATOM 402 CA ALA A 92 -4.496 4.169 2.018 1.00 0.00 C ATOM 403 C ALA A 92 -3.373 5.083 2.420 1.00 0.00 C ATOM 404 O ALA A 92 -2.685 5.646 1.557 1.00 0.00 O ATOM 405 CB ALA A 92 -3.992 2.743 1.929 1.00 0.00 C ATOM 0 H ALA A 92 -4.291 4.926 0.113 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.288 4.225 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.602 2.434 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.812 2.085 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.199 2.683 1.183 1.00 0.00 H new ATOM 411 N GLU A 93 -3.176 5.241 3.688 1.00 0.00 N ATOM 412 CA GLU A 93 -2.088 6.034 4.167 1.00 0.00 C ATOM 413 C GLU A 93 -1.055 5.115 4.777 1.00 0.00 C ATOM 414 O GLU A 93 -1.401 4.142 5.464 1.00 0.00 O ATOM 415 CB GLU A 93 -2.553 7.120 5.150 1.00 0.00 C ATOM 416 CG GLU A 93 -1.436 8.061 5.607 1.00 0.00 C ATOM 417 CD GLU A 93 -1.952 9.266 6.361 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.502 10.171 5.728 1.00 0.00 O ATOM 419 OE2 GLU A 93 -1.820 9.328 7.606 1.00 0.00 O ATOM 0 H GLU A 93 -3.758 4.829 4.417 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.639 6.572 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.341 7.708 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.992 6.641 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.742 7.511 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.873 8.397 4.737 1.00 0.00 H new ATOM 426 N ILE A 94 0.179 5.359 4.443 1.00 0.00 N ATOM 427 CA ILE A 94 1.289 4.570 4.935 1.00 0.00 C ATOM 428 C ILE A 94 1.577 4.892 6.382 1.00 0.00 C ATOM 429 O ILE A 94 1.891 6.031 6.725 1.00 0.00 O ATOM 430 CB ILE A 94 2.546 4.810 4.100 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.237 4.496 2.648 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.688 3.929 4.612 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.280 4.951 1.682 1.00 0.00 C ATOM 0 H ILE A 94 0.454 6.116 3.817 1.00 0.00 H new ATOM 0 HA ILE A 94 1.006 3.521 4.852 1.00 0.00 H new ATOM 0 HB ILE A 94 2.856 5.851 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.106 3.419 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.287 4.960 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.581 4.105 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.897 4.173 5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.401 2.880 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.978 4.686 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.396 6.032 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.228 4.467 1.916 1.00 0.00 H new ATOM 445 N GLU A 95 1.505 3.884 7.196 1.00 0.00 N ATOM 446 CA GLU A 95 1.700 4.012 8.618 1.00 0.00 C ATOM 447 C GLU A 95 3.147 3.752 8.986 1.00 0.00 C ATOM 448 O GLU A 95 3.699 4.386 9.896 1.00 0.00 O ATOM 449 CB GLU A 95 0.820 3.008 9.332 1.00 0.00 C ATOM 450 CG GLU A 95 -0.650 3.158 9.025 1.00 0.00 C ATOM 451 CD GLU A 95 -1.215 4.472 9.493 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.579 4.581 10.687 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.321 5.415 8.693 1.00 0.00 O ATOM 0 H GLU A 95 1.306 2.931 6.891 1.00 0.00 H new ATOM 0 HA GLU A 95 1.438 5.027 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.138 2.002 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.969 3.108 10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.803 3.065 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.199 2.343 9.497 1.00 0.00 H new ATOM 460 N GLU A 96 3.758 2.825 8.282 1.00 0.00 N ATOM 461 CA GLU A 96 5.124 2.428 8.535 1.00 0.00 C ATOM 462 C GLU A 96 5.672 1.756 7.294 1.00 0.00 C ATOM 463 O GLU A 96 4.913 1.182 6.520 1.00 0.00 O ATOM 464 CB GLU A 96 5.195 1.476 9.750 1.00 0.00 C ATOM 465 CG GLU A 96 6.605 1.040 10.123 1.00 0.00 C ATOM 466 CD GLU A 96 7.509 2.211 10.401 1.00 0.00 C ATOM 467 OE1 GLU A 96 7.578 2.667 11.563 1.00 0.00 O ATOM 468 OE2 GLU A 96 8.156 2.711 9.464 1.00 0.00 O ATOM 0 H GLU A 96 3.317 2.322 7.512 1.00 0.00 H new ATOM 0 HA GLU A 96 5.725 3.307 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.740 1.968 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.597 0.589 9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.564 0.398 11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.025 0.444 9.313 1.00 0.00 H new ATOM 475 N ILE A 97 6.957 1.848 7.102 1.00 0.00 N ATOM 476 CA ILE A 97 7.613 1.283 5.956 1.00 0.00 C ATOM 477 C ILE A 97 8.670 0.304 6.420 1.00 0.00 C ATOM 478 O ILE A 97 9.463 0.604 7.317 1.00 0.00 O ATOM 479 CB ILE A 97 8.284 2.402 5.128 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.239 3.393 4.684 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.006 1.839 3.904 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.793 4.735 4.413 1.00 0.00 C ATOM 0 H ILE A 97 7.588 2.324 7.746 1.00 0.00 H new ATOM 0 HA ILE A 97 6.877 0.770 5.337 1.00 0.00 H new ATOM 0 HB ILE A 97 9.024 2.893 5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.751 3.019 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.471 3.472 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.466 2.654 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.777 1.140 4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.290 1.321 3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.991 5.403 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.256 5.127 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.541 4.667 3.623 1.00 0.00 H new ATOM 494 N ASP A 98 8.664 -0.852 5.843 1.00 0.00 N ATOM 495 CA ASP A 98 9.666 -1.839 6.106 1.00 0.00 C ATOM 496 C ASP A 98 10.560 -1.849 4.914 1.00 0.00 C ATOM 497 O ASP A 98 10.307 -2.527 3.917 1.00 0.00 O ATOM 498 CB ASP A 98 9.062 -3.219 6.328 1.00 0.00 C ATOM 499 CG ASP A 98 10.082 -4.227 6.809 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.866 -4.750 5.994 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.103 -4.521 8.030 1.00 0.00 O ATOM 0 H ASP A 98 7.957 -1.144 5.168 1.00 0.00 H new ATOM 0 HA ASP A 98 10.208 -1.596 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.256 -3.146 7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.618 -3.572 5.397 1.00 0.00 H new ATOM 506 N GLU A 99 11.567 -1.038 4.994 1.00 0.00 N ATOM 507 CA GLU A 99 12.504 -0.823 3.916 1.00 0.00 C ATOM 508 C GLU A 99 13.310 -2.071 3.617 1.00 0.00 C ATOM 509 O GLU A 99 13.847 -2.225 2.508 1.00 0.00 O ATOM 510 CB GLU A 99 13.420 0.328 4.269 1.00 0.00 C ATOM 511 CG GLU A 99 12.677 1.636 4.509 1.00 0.00 C ATOM 512 CD GLU A 99 13.545 2.721 5.089 1.00 0.00 C ATOM 513 OE1 GLU A 99 13.678 2.785 6.336 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.088 3.545 4.326 1.00 0.00 O ATOM 0 H GLU A 99 11.773 -0.489 5.828 1.00 0.00 H new ATOM 0 HA GLU A 99 11.941 -0.579 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.987 0.071 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.141 0.470 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.256 1.984 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.841 1.451 5.183 1.00 0.00 H new ATOM 521 N GLU A 100 13.365 -2.971 4.585 1.00 0.00 N ATOM 522 CA GLU A 100 14.145 -4.159 4.450 1.00 0.00 C ATOM 523 C GLU A 100 13.480 -5.124 3.468 1.00 0.00 C ATOM 524 O GLU A 100 14.140 -5.686 2.595 1.00 0.00 O ATOM 525 CB GLU A 100 14.339 -4.817 5.804 1.00 0.00 C ATOM 526 CG GLU A 100 15.500 -5.800 5.823 1.00 0.00 C ATOM 527 CD GLU A 100 16.816 -5.127 5.480 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.144 -4.975 4.272 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.546 -4.718 6.404 1.00 0.00 O ATOM 0 H GLU A 100 12.870 -2.887 5.473 1.00 0.00 H new ATOM 0 HA GLU A 100 15.125 -3.892 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.509 -4.046 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.423 -5.338 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.572 -6.257 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.307 -6.604 5.112 1.00 0.00 H new ATOM 536 N ASN A 101 12.171 -5.277 3.569 1.00 0.00 N ATOM 537 CA ASN A 101 11.451 -6.120 2.609 1.00 0.00 C ATOM 538 C ASN A 101 10.966 -5.283 1.462 1.00 0.00 C ATOM 539 O ASN A 101 10.621 -5.806 0.400 1.00 0.00 O ATOM 540 CB ASN A 101 10.224 -6.800 3.225 1.00 0.00 C ATOM 541 CG ASN A 101 10.523 -7.794 4.314 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.708 -8.986 4.062 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.563 -7.331 5.516 1.00 0.00 N ATOM 0 H ASN A 101 11.589 -4.843 4.286 1.00 0.00 H new ATOM 0 HA ASN A 101 12.155 -6.886 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.566 -6.030 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.673 -7.307 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.753 -7.958 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.405 -6.338 5.685 1.00 0.00 H new ATOM 550 N GLY A 102 10.988 -3.978 1.646 1.00 0.00 N ATOM 551 CA GLY A 102 10.439 -3.090 0.659 1.00 0.00 C ATOM 552 C GLY A 102 8.931 -3.113 0.736 1.00 0.00 C ATOM 553 O GLY A 102 8.235 -3.019 -0.283 1.00 0.00 O ATOM 0 H GLY A 102 11.379 -3.517 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.806 -2.077 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.767 -3.390 -0.336 1.00 0.00 H new ATOM 557 N THR A 103 8.432 -3.277 1.932 1.00 0.00 N ATOM 558 CA THR A 103 7.031 -3.341 2.184 1.00 0.00 C ATOM 559 C THR A 103 6.574 -2.157 3.013 1.00 0.00 C ATOM 560 O THR A 103 7.390 -1.428 3.562 1.00 0.00 O ATOM 561 CB THR A 103 6.698 -4.663 2.885 1.00 0.00 C ATOM 562 OG1 THR A 103 7.662 -4.901 3.927 1.00 0.00 O ATOM 563 CG2 THR A 103 6.731 -5.814 1.898 1.00 0.00 C ATOM 0 H THR A 103 9.006 -3.371 2.770 1.00 0.00 H new ATOM 0 HA THR A 103 6.498 -3.299 1.234 1.00 0.00 H new ATOM 0 HB THR A 103 5.696 -4.595 3.309 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.453 -5.745 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.492 -6.743 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.999 -5.639 1.110 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.726 -5.888 1.459 1.00 0.00 H new ATOM 571 N ALA A 104 5.296 -1.931 3.057 1.00 0.00 N ATOM 572 CA ALA A 104 4.753 -0.880 3.853 1.00 0.00 C ATOM 573 C ALA A 104 3.492 -1.338 4.514 1.00 0.00 C ATOM 574 O ALA A 104 2.736 -2.138 3.956 1.00 0.00 O ATOM 575 CB ALA A 104 4.474 0.347 3.013 1.00 0.00 C ATOM 0 H ALA A 104 4.602 -2.472 2.541 1.00 0.00 H new ATOM 0 HA ALA A 104 5.487 -0.616 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.060 1.134 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.402 0.696 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.759 0.097 2.230 1.00 0.00 H new ATOM 581 N ALA A 105 3.289 -0.863 5.695 1.00 0.00 N ATOM 582 CA ALA A 105 2.104 -1.117 6.433 1.00 0.00 C ATOM 583 C ALA A 105 1.212 0.065 6.213 1.00 0.00 C ATOM 584 O ALA A 105 1.597 1.209 6.497 1.00 0.00 O ATOM 585 CB ALA A 105 2.426 -1.286 7.892 1.00 0.00 C ATOM 0 H ALA A 105 3.961 -0.272 6.185 1.00 0.00 H new ATOM 0 HA ALA A 105 1.617 -2.036 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.508 -1.480 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.111 -2.124 8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.892 -0.376 8.269 1.00 0.00 H new ATOM 591 N ILE A 106 0.064 -0.181 5.698 1.00 0.00 N ATOM 592 CA ILE A 106 -0.812 0.877 5.290 1.00 0.00 C ATOM 593 C ILE A 106 -2.162 0.728 5.950 1.00 0.00 C ATOM 594 O ILE A 106 -2.536 -0.367 6.356 1.00 0.00 O ATOM 595 CB ILE A 106 -0.973 0.860 3.736 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.526 -0.489 3.243 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.325 1.193 3.030 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.994 -0.466 3.001 1.00 0.00 C ATOM 0 H ILE A 106 -0.304 -1.120 5.543 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.379 1.829 5.596 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.696 1.637 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.016 -0.768 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.297 -1.259 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.169 1.170 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.656 2.188 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.085 0.461 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.321 -1.447 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.512 -0.216 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.226 0.282 2.243 1.00 0.00 H new ATOM 610 N THR A 107 -2.862 1.810 6.082 1.00 0.00 N ATOM 611 CA THR A 107 -4.194 1.790 6.598 1.00 0.00 C ATOM 612 C THR A 107 -5.147 2.388 5.571 1.00 0.00 C ATOM 613 O THR A 107 -4.906 3.474 5.047 1.00 0.00 O ATOM 614 CB THR A 107 -4.283 2.524 7.955 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.490 1.807 8.919 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.717 2.624 8.452 1.00 0.00 C ATOM 0 H THR A 107 -2.523 2.739 5.833 1.00 0.00 H new ATOM 0 HA THR A 107 -4.486 0.756 6.782 1.00 0.00 H new ATOM 0 HB THR A 107 -3.909 3.539 7.823 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.536 2.263 9.785 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.735 3.147 9.408 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.316 3.174 7.726 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.129 1.623 8.578 1.00 0.00 H new ATOM 624 N PHE A 108 -6.187 1.647 5.258 1.00 0.00 N ATOM 625 CA PHE A 108 -7.168 2.061 4.292 1.00 0.00 C ATOM 626 C PHE A 108 -8.029 3.155 4.842 1.00 0.00 C ATOM 627 O PHE A 108 -8.768 2.945 5.815 1.00 0.00 O ATOM 628 CB PHE A 108 -8.013 0.886 3.825 1.00 0.00 C ATOM 629 CG PHE A 108 -7.243 -0.092 3.004 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.986 0.191 1.676 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.769 -1.286 3.548 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.267 -0.687 0.891 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.051 -2.171 2.767 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.799 -1.869 1.435 1.00 0.00 C ATOM 0 H PHE A 108 -6.373 0.734 5.673 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.637 2.452 3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.429 0.376 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.855 1.259 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.353 1.112 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.964 -1.520 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.070 -0.452 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.687 -3.095 3.191 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.237 -2.559 0.823 1.00 0.00 H new ATOM 644 N ALA A 109 -7.944 4.302 4.201 1.00 0.00 N ATOM 645 CA ALA A 109 -8.636 5.498 4.620 1.00 0.00 C ATOM 646 C ALA A 109 -10.133 5.291 4.590 1.00 0.00 C ATOM 647 O ALA A 109 -10.674 4.705 3.643 1.00 0.00 O ATOM 648 CB ALA A 109 -8.238 6.669 3.733 1.00 0.00 C ATOM 0 H ALA A 109 -7.382 4.429 3.360 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.349 5.723 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.765 7.566 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.163 6.833 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.500 6.448 2.699 1.00 0.00 H new ATOM 654 N GLY A 110 -10.788 5.701 5.638 1.00 0.00 N ATOM 655 CA GLY A 110 -12.215 5.577 5.713 1.00 0.00 C ATOM 656 C GLY A 110 -12.652 4.271 6.329 1.00 0.00 C ATOM 657 O GLY A 110 -13.411 4.262 7.295 1.00 0.00 O ATOM 0 H GLY A 110 -10.353 6.126 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.618 6.403 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.637 5.661 4.711 1.00 0.00 H new ATOM 661 N TYR A 111 -12.184 3.169 5.778 1.00 0.00 N ATOM 662 CA TYR A 111 -12.560 1.859 6.265 1.00 0.00 C ATOM 663 C TYR A 111 -11.874 1.581 7.598 1.00 0.00 C ATOM 664 O TYR A 111 -12.519 1.189 8.567 1.00 0.00 O ATOM 665 CB TYR A 111 -12.193 0.788 5.258 1.00 0.00 C ATOM 666 CG TYR A 111 -12.721 1.023 3.858 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.038 0.730 3.522 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.888 1.520 2.872 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.507 0.930 2.238 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.336 1.728 1.593 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.656 1.429 1.275 1.00 0.00 C ATOM 672 OH TYR A 111 -14.127 1.641 -0.008 1.00 0.00 O ATOM 0 H TYR A 111 -11.539 3.156 4.988 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.640 1.841 6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.107 0.709 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.568 -0.171 5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.705 0.340 4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.861 1.750 3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.532 0.697 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.669 2.121 0.839 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.405 1.996 -0.567 1.00 0.00 H new ATOM 682 N GLY A 112 -10.571 1.807 7.640 1.00 0.00 N ATOM 683 CA GLY A 112 -9.834 1.640 8.868 1.00 0.00 C ATOM 684 C GLY A 112 -9.147 0.292 9.018 1.00 0.00 C ATOM 685 O GLY A 112 -8.912 -0.154 10.148 1.00 0.00 O ATOM 0 H GLY A 112 -10.011 2.104 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.081 2.426 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.516 1.781 9.707 1.00 0.00 H new ATOM 689 N ASN A 113 -8.805 -0.367 7.916 1.00 0.00 N ATOM 690 CA ASN A 113 -8.078 -1.642 8.032 1.00 0.00 C ATOM 691 C ASN A 113 -6.639 -1.404 7.717 1.00 0.00 C ATOM 692 O ASN A 113 -6.302 -0.387 7.114 1.00 0.00 O ATOM 693 CB ASN A 113 -8.572 -2.757 7.105 1.00 0.00 C ATOM 694 CG ASN A 113 -10.020 -3.142 7.244 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.669 -2.918 8.271 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.510 -3.805 6.245 1.00 0.00 N ATOM 0 H ASN A 113 -9.006 -0.062 6.964 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.247 -1.982 9.054 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.397 -2.449 6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.963 -3.644 7.281 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.464 -4.163 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.942 -3.969 5.414 1.00 0.00 H new ATOM 703 N ALA A 114 -5.801 -2.345 8.047 1.00 0.00 N ATOM 704 CA ALA A 114 -4.384 -2.195 7.848 1.00 0.00 C ATOM 705 C ALA A 114 -3.790 -3.471 7.304 1.00 0.00 C ATOM 706 O ALA A 114 -4.170 -4.569 7.734 1.00 0.00 O ATOM 707 CB ALA A 114 -3.707 -1.811 9.161 1.00 0.00 C ATOM 0 H ALA A 114 -6.077 -3.236 8.460 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.216 -1.400 7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.635 -1.700 8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.119 -0.868 9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.883 -2.590 9.903 1.00 0.00 H new ATOM 713 N GLU A 115 -2.893 -3.350 6.353 1.00 0.00 N ATOM 714 CA GLU A 115 -2.227 -4.508 5.815 1.00 0.00 C ATOM 715 C GLU A 115 -0.813 -4.153 5.411 1.00 0.00 C ATOM 716 O GLU A 115 -0.485 -2.968 5.244 1.00 0.00 O ATOM 717 CB GLU A 115 -2.992 -5.147 4.631 1.00 0.00 C ATOM 718 CG GLU A 115 -2.936 -4.431 3.295 1.00 0.00 C ATOM 719 CD GLU A 115 -3.466 -5.335 2.194 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.702 -5.397 1.991 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.653 -6.047 1.557 1.00 0.00 O ATOM 0 H GLU A 115 -2.610 -2.462 5.938 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.201 -5.259 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.608 -6.157 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.039 -5.242 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.526 -3.515 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.910 -4.139 3.073 1.00 0.00 H new ATOM 728 N VAL A 116 0.020 -5.156 5.295 1.00 0.00 N ATOM 729 CA VAL A 116 1.380 -4.981 4.869 1.00 0.00 C ATOM 730 C VAL A 116 1.456 -5.340 3.405 1.00 0.00 C ATOM 731 O VAL A 116 1.228 -6.487 3.023 1.00 0.00 O ATOM 732 CB VAL A 116 2.364 -5.867 5.677 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.793 -5.675 5.188 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.274 -5.548 7.161 1.00 0.00 C ATOM 0 H VAL A 116 -0.231 -6.124 5.496 1.00 0.00 H new ATOM 0 HA VAL A 116 1.672 -3.945 5.039 1.00 0.00 H new ATOM 0 HB VAL A 116 2.083 -6.909 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.465 -6.307 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.857 -5.950 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.082 -4.631 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.971 -6.179 7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.527 -4.500 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.259 -5.736 7.513 1.00 0.00 H new ATOM 744 N THR A 117 1.750 -4.385 2.602 1.00 0.00 N ATOM 745 CA THR A 117 1.786 -4.586 1.187 1.00 0.00 C ATOM 746 C THR A 117 3.090 -3.979 0.631 1.00 0.00 C ATOM 747 O THR A 117 3.575 -2.974 1.159 1.00 0.00 O ATOM 748 CB THR A 117 0.500 -3.998 0.499 1.00 0.00 C ATOM 749 OG1 THR A 117 0.382 -4.455 -0.860 1.00 0.00 O ATOM 750 CG2 THR A 117 0.499 -2.479 0.523 1.00 0.00 C ATOM 0 H THR A 117 1.974 -3.436 2.901 1.00 0.00 H new ATOM 0 HA THR A 117 1.783 -5.652 0.962 1.00 0.00 H new ATOM 0 HB THR A 117 -0.356 -4.357 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.427 -4.076 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.404 -2.108 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.526 -2.131 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.375 -2.106 -0.008 1.00 0.00 H new ATOM 758 N PRO A 118 3.742 -4.638 -0.345 1.00 0.00 N ATOM 759 CA PRO A 118 4.988 -4.152 -0.928 1.00 0.00 C ATOM 760 C PRO A 118 4.832 -2.781 -1.577 1.00 0.00 C ATOM 761 O PRO A 118 3.767 -2.449 -2.100 1.00 0.00 O ATOM 762 CB PRO A 118 5.338 -5.204 -1.981 1.00 0.00 C ATOM 763 CG PRO A 118 4.070 -5.901 -2.257 1.00 0.00 C ATOM 764 CD PRO A 118 3.302 -5.882 -0.973 1.00 0.00 C ATOM 0 HA PRO A 118 5.760 -4.023 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.739 -4.742 -2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.096 -5.895 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.515 -5.402 -3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.251 -6.923 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.226 -5.888 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.530 -6.749 -0.354 1.00 0.00 H new ATOM 772 N LEU A 119 5.898 -2.006 -1.553 1.00 0.00 N ATOM 773 CA LEU A 119 5.940 -0.661 -2.138 1.00 0.00 C ATOM 774 C LEU A 119 5.628 -0.702 -3.632 1.00 0.00 C ATOM 775 O LEU A 119 5.173 0.287 -4.215 1.00 0.00 O ATOM 776 CB LEU A 119 7.304 -0.017 -1.891 1.00 0.00 C ATOM 777 CG LEU A 119 7.723 0.142 -0.428 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.124 0.718 -0.311 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.738 0.996 0.342 1.00 0.00 C ATOM 0 H LEU A 119 6.778 -2.288 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 119 5.175 -0.055 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.061 -0.613 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.307 0.968 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 119 7.726 -0.855 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.390 0.818 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.833 0.052 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.156 1.698 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.067 1.088 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.684 1.986 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.753 0.530 0.314 1.00 0.00 H new ATOM 791 N LEU A 120 5.902 -1.844 -4.240 1.00 0.00 N ATOM 792 CA LEU A 120 5.605 -2.084 -5.649 1.00 0.00 C ATOM 793 C LEU A 120 4.087 -2.041 -5.888 1.00 0.00 C ATOM 794 O LEU A 120 3.618 -1.602 -6.944 1.00 0.00 O ATOM 795 CB LEU A 120 6.209 -3.444 -6.091 1.00 0.00 C ATOM 796 CG LEU A 120 5.445 -4.728 -5.711 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.455 -5.088 -6.803 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.398 -5.878 -5.435 1.00 0.00 C ATOM 0 H LEU A 120 6.339 -2.637 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 120 6.059 -1.298 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.315 -3.426 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.213 -3.516 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 120 4.893 -4.538 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.921 -5.996 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.743 -4.273 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.989 -5.254 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.827 -6.768 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.992 -6.080 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.060 -5.612 -4.610 1.00 0.00 H new ATOM 810 N ASN A 121 3.333 -2.467 -4.883 1.00 0.00 N ATOM 811 CA ASN A 121 1.871 -2.530 -4.953 1.00 0.00 C ATOM 812 C ASN A 121 1.250 -1.208 -4.644 1.00 0.00 C ATOM 813 O ASN A 121 0.052 -1.011 -4.868 1.00 0.00 O ATOM 814 CB ASN A 121 1.299 -3.573 -3.988 1.00 0.00 C ATOM 815 CG ASN A 121 1.237 -4.973 -4.532 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.234 -5.919 -3.653 1.00 0.00 O flip ATOM 817 ND2 ASN A 121 1.119 -5.198 -5.735 1.00 0.00 N flip ATOM 0 H ASN A 121 3.716 -2.781 -3.991 1.00 0.00 H new ATOM 0 HA ASN A 121 1.630 -2.816 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.904 -3.578 -3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.294 -3.266 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.126 -4.426 -6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.014 -6.157 -6.067 1.00 0.00 H new ATOM 824 N LEU A 122 2.035 -0.304 -4.121 1.00 0.00 N ATOM 825 CA LEU A 122 1.527 0.981 -3.783 1.00 0.00 C ATOM 826 C LEU A 122 1.544 1.860 -4.994 1.00 0.00 C ATOM 827 O LEU A 122 2.554 1.965 -5.693 1.00 0.00 O ATOM 828 CB LEU A 122 2.331 1.599 -2.646 1.00 0.00 C ATOM 829 CG LEU A 122 2.254 0.883 -1.306 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.055 1.633 -0.270 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.810 0.734 -0.857 1.00 0.00 C ATOM 0 H LEU A 122 3.026 -0.442 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 122 0.498 0.878 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.377 1.645 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.994 2.626 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 122 2.677 -0.115 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.993 1.112 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.097 1.689 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.655 2.641 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.779 0.219 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.357 1.720 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.257 0.155 -1.597 1.00 0.00 H new ATOM 843 N LYS A 123 0.439 2.479 -5.238 1.00 0.00 N ATOM 844 CA LYS A 123 0.270 3.332 -6.379 1.00 0.00 C ATOM 845 C LYS A 123 0.075 4.733 -5.879 1.00 0.00 C ATOM 846 O LYS A 123 -0.298 4.915 -4.717 1.00 0.00 O ATOM 847 CB LYS A 123 -0.966 2.918 -7.191 1.00 0.00 C ATOM 848 CG LYS A 123 -1.044 1.455 -7.562 1.00 0.00 C ATOM 849 CD LYS A 123 -2.243 1.212 -8.458 1.00 0.00 C ATOM 850 CE LYS A 123 -2.420 -0.261 -8.800 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.268 -0.817 -9.539 1.00 0.00 N ATOM 0 H LYS A 123 -0.388 2.410 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 123 1.147 3.257 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.857 3.177 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.991 3.508 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.130 1.151 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.123 0.846 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.143 1.579 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.128 1.785 -9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.565 -0.828 -7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.324 -0.385 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.476 -1.796 -9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.091 -0.243 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.425 -0.803 -8.930 1.00 0.00 H new ATOM 865 N PRO A 124 0.313 5.738 -6.702 1.00 0.00 N ATOM 866 CA PRO A 124 0.072 7.101 -6.307 1.00 0.00 C ATOM 867 C PRO A 124 -1.421 7.400 -6.330 1.00 0.00 C ATOM 868 O PRO A 124 -2.189 6.754 -7.074 1.00 0.00 O ATOM 869 CB PRO A 124 0.816 7.918 -7.355 1.00 0.00 C ATOM 870 CG PRO A 124 0.826 7.061 -8.575 1.00 0.00 C ATOM 871 CD PRO A 124 0.823 5.637 -8.088 1.00 0.00 C ATOM 0 HA PRO A 124 0.408 7.323 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.316 8.868 -7.544 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.829 8.151 -7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -0.046 7.261 -9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.707 7.262 -9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.184 5.005 -8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.822 5.203 -8.116 1.00 0.00 H new