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= -0.46 USER MOD Set 1.2: A 121 ASN : amide:sc= -2.12 X(o=-2.6,f=-2.7!) USER MOD Set 2.1: A 80 MET CE :methyl 157:sc= -0.106 (180deg=-0.605) USER MOD Set 2.2: A 89 CYS SG : rot 26:sc= 0.722 USER MOD Set 2.3: A 123 LYS NZ :NH3+ 161:sc= 0.838 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -127:sc= 1.31 (180deg=0.324) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.09) USER MOD Single : A 79 CYS SG : rot -14:sc= -1.83! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.28) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.98 K(o=0.98,f=-0.25) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.341 USER MOD Single : A 111 TYR OH : rot -130:sc= 0.525 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.494 5.945 -0.730 1.00 0.00 N ATOM 112 CA TRP A 73 7.339 6.254 0.059 1.00 0.00 C ATOM 113 C TRP A 73 7.734 6.691 1.437 1.00 0.00 C ATOM 114 O TRP A 73 8.811 6.323 1.936 1.00 0.00 O ATOM 115 CB TRP A 73 6.428 5.039 0.155 1.00 0.00 C ATOM 116 CG TRP A 73 5.783 4.665 -1.137 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.063 3.585 -1.919 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.751 5.389 -1.801 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.244 3.579 -3.019 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.434 4.685 -2.972 1.00 0.00 C ATOM 121 CE3 TRP A 73 4.057 6.569 -1.511 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.456 5.120 -3.856 1.00 0.00 C ATOM 123 CZ3 TRP A 73 3.089 6.998 -2.388 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.797 6.276 -3.546 1.00 0.00 C ATOM 0 HA TRP A 73 6.807 7.070 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 73 7.007 4.191 0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.651 5.237 0.894 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.818 2.843 -1.704 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.238 2.869 -3.751 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.277 7.132 -0.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.225 4.566 -4.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.546 7.908 -2.178 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.031 6.640 -4.214 1.00 0.00 H new ATOM 135 N LYS A 74 6.917 7.511 2.042 1.00 0.00 N ATOM 136 CA LYS A 74 7.127 7.908 3.402 1.00 0.00 C ATOM 137 C LYS A 74 5.863 7.695 4.202 1.00 0.00 C ATOM 138 O LYS A 74 4.775 7.527 3.641 1.00 0.00 O ATOM 139 CB LYS A 74 7.580 9.365 3.530 1.00 0.00 C ATOM 140 CG LYS A 74 6.596 10.391 2.984 1.00 0.00 C ATOM 141 CD LYS A 74 7.012 11.805 3.360 1.00 0.00 C ATOM 142 CE LYS A 74 6.742 12.129 4.839 1.00 0.00 C ATOM 143 NZ LYS A 74 5.302 12.286 5.129 1.00 0.00 N ATOM 0 H LYS A 74 6.091 7.920 1.605 1.00 0.00 H new ATOM 0 HA LYS A 74 7.930 7.285 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.763 9.582 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.531 9.482 3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.538 10.302 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.599 10.186 3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.074 11.934 3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.475 12.516 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.150 11.334 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.266 13.046 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.141 13.197 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.764 12.260 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.986 11.512 5.747 1.00 0.00 H new ATOM 157 N VAL A 75 6.025 7.672 5.492 1.00 0.00 N ATOM 158 CA VAL A 75 4.940 7.558 6.425 1.00 0.00 C ATOM 159 C VAL A 75 4.022 8.788 6.302 1.00 0.00 C ATOM 160 O VAL A 75 4.502 9.903 6.107 1.00 0.00 O ATOM 161 CB VAL A 75 5.513 7.449 7.864 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.422 7.526 8.902 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.306 6.156 8.022 1.00 0.00 C ATOM 0 H VAL A 75 6.940 7.734 5.938 1.00 0.00 H new ATOM 0 HA VAL A 75 4.355 6.664 6.207 1.00 0.00 H new ATOM 0 HB VAL A 75 6.181 8.296 8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.860 7.446 9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.900 8.478 8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.717 6.709 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.702 6.093 9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.653 5.304 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.131 6.146 7.309 1.00 0.00 H new ATOM 173 N GLY A 76 2.726 8.571 6.355 1.00 0.00 N ATOM 174 CA GLY A 76 1.780 9.665 6.295 1.00 0.00 C ATOM 175 C GLY A 76 1.446 10.091 4.881 1.00 0.00 C ATOM 176 O GLY A 76 0.780 11.120 4.673 1.00 0.00 O ATOM 0 H GLY A 76 2.303 7.647 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.862 9.371 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.187 10.518 6.838 1.00 0.00 H new ATOM 180 N ASP A 77 1.894 9.323 3.911 1.00 0.00 N ATOM 181 CA ASP A 77 1.626 9.645 2.516 1.00 0.00 C ATOM 182 C ASP A 77 0.388 8.936 2.107 1.00 0.00 C ATOM 183 O ASP A 77 0.006 7.925 2.732 1.00 0.00 O ATOM 184 CB ASP A 77 2.736 9.145 1.619 1.00 0.00 C ATOM 185 CG ASP A 77 3.011 10.065 0.437 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.133 10.259 -0.413 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.118 10.655 0.384 1.00 0.00 O ATOM 0 H ASP A 77 2.443 8.475 4.056 1.00 0.00 H new ATOM 0 HA ASP A 77 1.538 10.727 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.648 9.036 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.476 8.154 1.247 1.00 0.00 H new ATOM 192 N LYS A 78 -0.232 9.403 1.084 1.00 0.00 N ATOM 193 CA LYS A 78 -1.372 8.748 0.593 1.00 0.00 C ATOM 194 C LYS A 78 -0.958 7.955 -0.602 1.00 0.00 C ATOM 195 O LYS A 78 -0.337 8.469 -1.529 1.00 0.00 O ATOM 196 CB LYS A 78 -2.495 9.719 0.218 1.00 0.00 C ATOM 197 CG LYS A 78 -3.102 10.496 1.372 1.00 0.00 C ATOM 198 CD LYS A 78 -3.776 9.582 2.386 1.00 0.00 C ATOM 199 CE LYS A 78 -4.652 10.367 3.363 1.00 0.00 C ATOM 200 NZ LYS A 78 -3.911 11.407 4.117 1.00 0.00 N ATOM 0 H LYS A 78 0.039 10.243 0.573 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.773 8.106 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.108 10.430 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.288 9.157 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.323 11.075 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.831 11.208 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.385 8.845 1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.016 9.031 2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.465 10.839 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.107 9.673 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.547 11.854 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.110 10.970 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.556 12.128 3.457 1.00 0.00 H new ATOM 214 N CYS A 79 -1.319 6.750 -0.590 1.00 0.00 N ATOM 215 CA CYS A 79 -1.007 5.858 -1.649 1.00 0.00 C ATOM 216 C CYS A 79 -2.208 5.020 -1.939 1.00 0.00 C ATOM 217 O CYS A 79 -3.231 5.128 -1.258 1.00 0.00 O ATOM 218 CB CYS A 79 0.169 4.974 -1.241 1.00 0.00 C ATOM 219 SG CYS A 79 -0.101 4.036 0.291 1.00 0.00 S ATOM 0 H CYS A 79 -1.855 6.327 0.168 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.730 6.417 -2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.381 4.274 -2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.054 5.599 -1.120 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.131 4.520 0.920 1.00 0.00 H new ATOM 225 N MET A 80 -2.124 4.227 -2.943 1.00 0.00 N ATOM 226 CA MET A 80 -3.171 3.321 -3.232 1.00 0.00 C ATOM 227 C MET A 80 -2.591 1.963 -3.124 1.00 0.00 C ATOM 228 O MET A 80 -1.556 1.687 -3.719 1.00 0.00 O ATOM 229 CB MET A 80 -3.760 3.547 -4.626 1.00 0.00 C ATOM 230 CG MET A 80 -4.081 4.999 -4.924 1.00 0.00 C ATOM 231 SD MET A 80 -5.148 5.219 -6.354 1.00 0.00 S ATOM 232 CE MET A 80 -6.687 4.561 -5.701 1.00 0.00 C ATOM 0 H MET A 80 -1.332 4.188 -3.584 1.00 0.00 H new ATOM 0 HA MET A 80 -3.995 3.463 -2.533 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.056 3.179 -5.372 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.670 2.955 -4.727 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.560 5.443 -4.052 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.150 5.542 -5.088 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.526 4.972 -6.262 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.687 3.475 -5.793 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.784 4.836 -4.651 1.00 0.00 H new ATOM 242 N ALA A 81 -3.229 1.136 -2.385 1.00 0.00 N ATOM 243 CA ALA A 81 -2.753 -0.181 -2.132 1.00 0.00 C ATOM 244 C ALA A 81 -3.741 -1.158 -2.652 1.00 0.00 C ATOM 245 O ALA A 81 -4.925 -0.851 -2.728 1.00 0.00 O ATOM 246 CB ALA A 81 -2.579 -0.381 -0.647 1.00 0.00 C ATOM 0 H ALA A 81 -4.114 1.354 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.793 -0.327 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.214 -1.390 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.860 0.343 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.537 -0.240 -0.146 1.00 0.00 H new ATOM 252 N VAL A 82 -3.277 -2.307 -3.016 1.00 0.00 N ATOM 253 CA VAL A 82 -4.148 -3.344 -3.475 1.00 0.00 C ATOM 254 C VAL A 82 -4.607 -4.112 -2.272 1.00 0.00 C ATOM 255 O VAL A 82 -3.801 -4.741 -1.600 1.00 0.00 O ATOM 256 CB VAL A 82 -3.427 -4.302 -4.463 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.352 -5.425 -4.917 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.905 -3.533 -5.663 1.00 0.00 C ATOM 0 H VAL A 82 -2.288 -2.556 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.989 -2.902 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.583 -4.750 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.819 -6.079 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.678 -6.001 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.222 -5.000 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.403 -4.219 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.737 -3.054 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.199 -2.772 -5.329 1.00 0.00 H new ATOM 268 N TRP A 83 -5.882 -4.024 -1.992 1.00 0.00 N ATOM 269 CA TRP A 83 -6.469 -4.680 -0.870 1.00 0.00 C ATOM 270 C TRP A 83 -6.412 -6.151 -1.114 1.00 0.00 C ATOM 271 O TRP A 83 -7.036 -6.654 -2.057 1.00 0.00 O ATOM 272 CB TRP A 83 -7.916 -4.231 -0.696 1.00 0.00 C ATOM 273 CG TRP A 83 -8.529 -4.633 0.609 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.890 -4.758 1.796 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.905 -4.908 0.875 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.761 -5.096 2.778 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.007 -5.191 2.248 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.060 -4.943 0.097 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.204 -5.504 2.856 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.250 -5.258 0.708 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.308 -5.532 2.076 1.00 0.00 C ATOM 0 H TRP A 83 -6.544 -3.485 -2.550 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.926 -4.428 0.041 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -7.962 -3.146 -0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.514 -4.645 -1.508 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.830 -4.609 1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.519 -5.253 3.756 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.021 -4.728 -0.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.258 -5.718 3.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.155 -5.294 0.120 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.261 -5.773 2.523 1.00 0.00 H new ATOM 292 N SER A 84 -5.693 -6.830 -0.271 1.00 0.00 N ATOM 293 CA SER A 84 -5.446 -8.252 -0.400 1.00 0.00 C ATOM 294 C SER A 84 -6.757 -9.068 -0.330 1.00 0.00 C ATOM 295 O SER A 84 -6.811 -10.234 -0.761 1.00 0.00 O ATOM 296 CB SER A 84 -4.440 -8.699 0.682 1.00 0.00 C ATOM 297 OG SER A 84 -4.041 -10.053 0.514 1.00 0.00 O ATOM 0 H SER A 84 -5.248 -6.411 0.546 1.00 0.00 H new ATOM 0 HA SER A 84 -5.015 -8.445 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.561 -8.055 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.888 -8.573 1.668 1.00 0.00 H new ATOM 0 HG SER A 84 -3.403 -10.296 1.218 1.00 0.00 H new ATOM 303 N GLU A 85 -7.815 -8.449 0.166 1.00 0.00 N ATOM 304 CA GLU A 85 -9.068 -9.136 0.309 1.00 0.00 C ATOM 305 C GLU A 85 -9.874 -9.139 -0.978 1.00 0.00 C ATOM 306 O GLU A 85 -10.425 -10.169 -1.355 1.00 0.00 O ATOM 307 CB GLU A 85 -9.879 -8.528 1.424 1.00 0.00 C ATOM 308 CG GLU A 85 -9.151 -8.475 2.755 1.00 0.00 C ATOM 309 CD GLU A 85 -8.753 -9.840 3.278 1.00 0.00 C ATOM 310 OE1 GLU A 85 -7.649 -10.326 2.968 1.00 0.00 O ATOM 311 OE2 GLU A 85 -9.553 -10.468 4.011 1.00 0.00 O ATOM 0 H GLU A 85 -7.822 -7.476 0.473 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.836 -10.173 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.169 -7.517 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.798 -9.101 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.257 -7.861 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.789 -7.984 3.490 1.00 0.00 H new ATOM 318 N ASP A 86 -9.924 -8.015 -1.671 1.00 0.00 N ATOM 319 CA ASP A 86 -10.768 -7.941 -2.889 1.00 0.00 C ATOM 320 C ASP A 86 -9.932 -7.943 -4.168 1.00 0.00 C ATOM 321 O ASP A 86 -10.415 -8.293 -5.249 1.00 0.00 O ATOM 322 CB ASP A 86 -11.668 -6.695 -2.850 1.00 0.00 C ATOM 323 CG ASP A 86 -12.689 -6.673 -3.974 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.734 -7.350 -3.852 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.469 -6.005 -4.988 1.00 0.00 O ATOM 0 H ASP A 86 -9.417 -7.161 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.392 -8.834 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.187 -6.657 -1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.047 -5.801 -2.911 1.00 0.00 H new ATOM 330 N GLY A 87 -8.669 -7.609 -4.032 1.00 0.00 N ATOM 331 CA GLY A 87 -7.772 -7.583 -5.176 1.00 0.00 C ATOM 332 C GLY A 87 -7.808 -6.264 -5.938 1.00 0.00 C ATOM 333 O GLY A 87 -7.310 -6.171 -7.054 1.00 0.00 O ATOM 0 H GLY A 87 -8.236 -7.351 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.754 -7.770 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.036 -8.394 -5.855 1.00 0.00 H new ATOM 337 N GLN A 88 -8.396 -5.252 -5.347 1.00 0.00 N ATOM 338 CA GLN A 88 -8.491 -3.941 -5.985 1.00 0.00 C ATOM 339 C GLN A 88 -7.683 -2.924 -5.229 1.00 0.00 C ATOM 340 O GLN A 88 -7.311 -3.162 -4.089 1.00 0.00 O ATOM 341 CB GLN A 88 -9.939 -3.481 -6.113 1.00 0.00 C ATOM 342 CG GLN A 88 -10.755 -4.250 -7.127 1.00 0.00 C ATOM 343 CD GLN A 88 -10.209 -4.119 -8.525 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.564 -3.195 -9.256 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.374 -5.024 -8.923 1.00 0.00 N ATOM 0 H GLN A 88 -8.821 -5.302 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.083 -4.036 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.421 -3.565 -5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.949 -2.425 -6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.778 -5.303 -6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.784 -3.892 -7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.100 -5.777 -8.292 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.990 -4.984 -9.867 1.00 0.00 H new ATOM 354 N CYS A 89 -7.448 -1.791 -5.828 1.00 0.00 N ATOM 355 CA CYS A 89 -6.631 -0.769 -5.204 1.00 0.00 C ATOM 356 C CYS A 89 -7.486 0.298 -4.551 1.00 0.00 C ATOM 357 O CYS A 89 -8.474 0.763 -5.124 1.00 0.00 O ATOM 358 CB CYS A 89 -5.629 -0.155 -6.185 1.00 0.00 C ATOM 359 SG CYS A 89 -6.360 0.696 -7.593 1.00 0.00 S ATOM 0 H CYS A 89 -7.808 -1.544 -6.750 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.052 -1.259 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -4.998 0.549 -5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.977 -0.946 -6.557 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.546 1.122 -7.275 1.00 0.00 H new ATOM 365 N TYR A 90 -7.122 0.662 -3.353 1.00 0.00 N ATOM 366 CA TYR A 90 -7.850 1.621 -2.555 1.00 0.00 C ATOM 367 C TYR A 90 -6.883 2.592 -1.920 1.00 0.00 C ATOM 368 O TYR A 90 -5.692 2.285 -1.790 1.00 0.00 O ATOM 369 CB TYR A 90 -8.659 0.909 -1.482 1.00 0.00 C ATOM 370 CG TYR A 90 -9.737 -0.021 -2.013 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.421 -1.310 -2.415 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.065 0.374 -2.085 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.376 -2.169 -2.877 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.037 -0.494 -2.543 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.684 -1.764 -2.940 1.00 0.00 C ATOM 376 OH TYR A 90 -12.639 -2.634 -3.384 1.00 0.00 O ATOM 0 H TYR A 90 -6.291 0.294 -2.889 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.537 2.170 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.978 0.333 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.127 1.657 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.395 -1.642 -2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.342 1.372 -1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.102 -3.165 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.069 -0.178 -2.589 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.515 -2.195 -3.367 1.00 0.00 H new ATOM 386 N GLU A 91 -7.381 3.743 -1.551 1.00 0.00 N ATOM 387 CA GLU A 91 -6.585 4.803 -0.976 1.00 0.00 C ATOM 388 C GLU A 91 -6.225 4.456 0.468 1.00 0.00 C ATOM 389 O GLU A 91 -7.098 4.199 1.310 1.00 0.00 O ATOM 390 CB GLU A 91 -7.377 6.105 -1.058 1.00 0.00 C ATOM 391 CG GLU A 91 -6.682 7.343 -0.528 1.00 0.00 C ATOM 392 CD GLU A 91 -7.545 8.565 -0.708 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.428 8.814 0.132 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.382 9.285 -1.718 1.00 0.00 O ATOM 0 H GLU A 91 -8.370 3.977 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.652 4.923 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.642 6.280 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.310 5.974 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.450 7.210 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.734 7.483 -1.048 1.00 0.00 H new ATOM 401 N ALA A 92 -4.960 4.452 0.745 1.00 0.00 N ATOM 402 CA ALA A 92 -4.458 4.083 2.028 1.00 0.00 C ATOM 403 C ALA A 92 -3.323 4.979 2.416 1.00 0.00 C ATOM 404 O ALA A 92 -2.609 5.500 1.556 1.00 0.00 O ATOM 405 CB ALA A 92 -3.988 2.651 1.986 1.00 0.00 C ATOM 0 H ALA A 92 -4.236 4.709 0.074 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.252 4.185 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.604 2.365 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.822 2.002 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.198 2.549 1.242 1.00 0.00 H new ATOM 411 N GLU A 93 -3.148 5.159 3.684 1.00 0.00 N ATOM 412 CA GLU A 93 -2.083 5.968 4.179 1.00 0.00 C ATOM 413 C GLU A 93 -1.067 5.076 4.852 1.00 0.00 C ATOM 414 O GLU A 93 -1.430 4.141 5.575 1.00 0.00 O ATOM 415 CB GLU A 93 -2.602 7.045 5.130 1.00 0.00 C ATOM 416 CG GLU A 93 -1.523 8.004 5.612 1.00 0.00 C ATOM 417 CD GLU A 93 -2.071 9.133 6.428 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.216 8.987 7.654 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.363 10.192 5.866 1.00 0.00 O ATOM 0 H GLU A 93 -3.740 4.749 4.407 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.607 6.489 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.385 7.614 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.061 6.564 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.793 7.454 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.992 8.409 4.750 1.00 0.00 H new ATOM 426 N ILE A 94 0.168 5.322 4.556 1.00 0.00 N ATOM 427 CA ILE A 94 1.280 4.552 5.084 1.00 0.00 C ATOM 428 C ILE A 94 1.551 4.894 6.546 1.00 0.00 C ATOM 429 O ILE A 94 1.753 6.054 6.895 1.00 0.00 O ATOM 430 CB ILE A 94 2.541 4.814 4.252 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.234 4.517 2.790 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.686 3.938 4.750 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.267 5.001 1.815 1.00 0.00 C ATOM 0 H ILE A 94 0.452 6.075 3.930 1.00 0.00 H new ATOM 0 HA ILE A 94 1.013 3.497 5.025 1.00 0.00 H new ATOM 0 HB ILE A 94 2.844 5.856 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.119 3.440 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.276 4.970 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.578 4.131 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.892 4.168 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.408 2.888 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.960 4.743 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.368 6.083 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.224 4.529 2.035 1.00 0.00 H new ATOM 445 N GLU A 95 1.580 3.875 7.365 1.00 0.00 N ATOM 446 CA GLU A 95 1.813 4.011 8.795 1.00 0.00 C ATOM 447 C GLU A 95 3.273 3.756 9.139 1.00 0.00 C ATOM 448 O GLU A 95 3.840 4.388 10.044 1.00 0.00 O ATOM 449 CB GLU A 95 0.950 3.007 9.527 1.00 0.00 C ATOM 450 CG GLU A 95 -0.524 3.238 9.347 1.00 0.00 C ATOM 451 CD GLU A 95 -1.002 4.473 10.060 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.302 4.382 11.275 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.088 5.543 9.448 1.00 0.00 O ATOM 0 H GLU A 95 1.442 2.911 7.062 1.00 0.00 H new ATOM 0 HA GLU A 95 1.561 5.028 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.198 2.004 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.188 3.042 10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.748 3.326 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.073 2.372 9.718 1.00 0.00 H new ATOM 460 N GLU A 96 3.870 2.820 8.440 1.00 0.00 N ATOM 461 CA GLU A 96 5.249 2.449 8.664 1.00 0.00 C ATOM 462 C GLU A 96 5.758 1.740 7.429 1.00 0.00 C ATOM 463 O GLU A 96 4.976 1.135 6.707 1.00 0.00 O ATOM 464 CB GLU A 96 5.363 1.537 9.893 1.00 0.00 C ATOM 465 CG GLU A 96 6.784 1.158 10.248 1.00 0.00 C ATOM 466 CD GLU A 96 6.855 0.243 11.426 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.820 -0.990 11.226 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.955 0.727 12.571 1.00 0.00 O ATOM 0 H GLU A 96 3.412 2.292 7.697 1.00 0.00 H new ATOM 0 HA GLU A 96 5.849 3.339 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.907 2.037 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.790 0.628 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.253 0.677 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.356 2.062 10.459 1.00 0.00 H new ATOM 475 N ILE A 97 7.037 1.840 7.177 1.00 0.00 N ATOM 476 CA ILE A 97 7.657 1.239 6.017 1.00 0.00 C ATOM 477 C ILE A 97 8.787 0.319 6.448 1.00 0.00 C ATOM 478 O ILE A 97 9.558 0.645 7.359 1.00 0.00 O ATOM 479 CB ILE A 97 8.237 2.358 5.123 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.130 3.291 4.711 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.937 1.799 3.883 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.607 4.634 4.329 1.00 0.00 C ATOM 0 H ILE A 97 7.688 2.346 7.777 1.00 0.00 H new ATOM 0 HA ILE A 97 6.912 0.662 5.469 1.00 0.00 H new ATOM 0 HB ILE A 97 8.986 2.897 5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.589 2.853 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.420 3.386 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.329 2.621 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.758 1.150 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.224 1.226 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.757 5.254 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.122 5.091 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.294 4.550 3.487 1.00 0.00 H new ATOM 494 N ASP A 98 8.872 -0.811 5.811 1.00 0.00 N ATOM 495 CA ASP A 98 9.956 -1.735 6.005 1.00 0.00 C ATOM 496 C ASP A 98 10.701 -1.810 4.707 1.00 0.00 C ATOM 497 O ASP A 98 10.331 -2.559 3.797 1.00 0.00 O ATOM 498 CB ASP A 98 9.471 -3.121 6.386 1.00 0.00 C ATOM 499 CG ASP A 98 10.619 -4.029 6.752 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.285 -4.560 5.856 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.887 -4.210 7.960 1.00 0.00 O ATOM 0 H ASP A 98 8.180 -1.124 5.130 1.00 0.00 H new ATOM 0 HA ASP A 98 10.585 -1.385 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.782 -3.048 7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.914 -3.554 5.555 1.00 0.00 H new ATOM 506 N GLU A 99 11.703 -0.988 4.590 1.00 0.00 N ATOM 507 CA GLU A 99 12.491 -0.874 3.376 1.00 0.00 C ATOM 508 C GLU A 99 13.251 -2.159 3.084 1.00 0.00 C ATOM 509 O GLU A 99 13.548 -2.464 1.930 1.00 0.00 O ATOM 510 CB GLU A 99 13.474 0.278 3.509 1.00 0.00 C ATOM 511 CG GLU A 99 12.822 1.615 3.800 1.00 0.00 C ATOM 512 CD GLU A 99 13.828 2.692 4.088 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.369 2.735 5.221 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.104 3.520 3.203 1.00 0.00 O ATOM 0 H GLU A 99 12.008 -0.366 5.339 1.00 0.00 H new ATOM 0 HA GLU A 99 11.808 -0.687 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.181 0.049 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.050 0.359 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.211 1.911 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.151 1.511 4.653 1.00 0.00 H new ATOM 521 N GLU A 100 13.525 -2.920 4.125 1.00 0.00 N ATOM 522 CA GLU A 100 14.309 -4.125 4.017 1.00 0.00 C ATOM 523 C GLU A 100 13.568 -5.183 3.179 1.00 0.00 C ATOM 524 O GLU A 100 14.167 -5.838 2.303 1.00 0.00 O ATOM 525 CB GLU A 100 14.592 -4.660 5.414 1.00 0.00 C ATOM 526 CG GLU A 100 15.716 -5.675 5.469 1.00 0.00 C ATOM 527 CD GLU A 100 17.038 -5.085 5.041 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.290 -4.947 3.827 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.865 -4.748 5.899 1.00 0.00 O ATOM 0 H GLU A 100 13.207 -2.715 5.072 1.00 0.00 H new ATOM 0 HA GLU A 100 15.249 -3.898 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.838 -3.824 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.684 -5.117 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.804 -6.062 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.472 -6.520 4.826 1.00 0.00 H new ATOM 536 N ASN A 101 12.275 -5.328 3.420 1.00 0.00 N ATOM 537 CA ASN A 101 11.438 -6.251 2.626 1.00 0.00 C ATOM 538 C ASN A 101 10.829 -5.521 1.469 1.00 0.00 C ATOM 539 O ASN A 101 10.274 -6.135 0.548 1.00 0.00 O ATOM 540 CB ASN A 101 10.293 -6.844 3.445 1.00 0.00 C ATOM 541 CG ASN A 101 10.727 -7.749 4.559 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.832 -8.965 4.391 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.993 -7.180 5.681 1.00 0.00 N ATOM 0 H ASN A 101 11.772 -4.827 4.152 1.00 0.00 H new ATOM 0 HA ASN A 101 12.093 -7.055 2.292 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.704 -6.029 3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.636 -7.401 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.305 -7.739 6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.893 -6.169 5.777 1.00 0.00 H new ATOM 550 N GLY A 102 10.902 -4.212 1.530 1.00 0.00 N ATOM 551 CA GLY A 102 10.304 -3.383 0.530 1.00 0.00 C ATOM 552 C GLY A 102 8.814 -3.335 0.718 1.00 0.00 C ATOM 553 O GLY A 102 8.055 -3.206 -0.248 1.00 0.00 O ATOM 0 H GLY A 102 11.377 -3.701 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.718 -2.376 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.540 -3.769 -0.462 1.00 0.00 H new ATOM 557 N THR A 103 8.387 -3.465 1.953 1.00 0.00 N ATOM 558 CA THR A 103 6.992 -3.457 2.273 1.00 0.00 C ATOM 559 C THR A 103 6.622 -2.255 3.117 1.00 0.00 C ATOM 560 O THR A 103 7.491 -1.553 3.624 1.00 0.00 O ATOM 561 CB THR A 103 6.585 -4.765 2.971 1.00 0.00 C ATOM 562 OG1 THR A 103 7.503 -5.053 4.047 1.00 0.00 O ATOM 563 CG2 THR A 103 6.576 -5.919 1.982 1.00 0.00 C ATOM 0 H THR A 103 9.002 -3.579 2.758 1.00 0.00 H new ATOM 0 HA THR A 103 6.439 -3.382 1.337 1.00 0.00 H new ATOM 0 HB THR A 103 5.580 -4.644 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.238 -5.886 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.286 -6.836 2.495 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.864 -5.709 1.184 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.572 -6.041 1.557 1.00 0.00 H new ATOM 571 N ALA A 104 5.359 -1.990 3.214 1.00 0.00 N ATOM 572 CA ALA A 104 4.867 -0.930 4.035 1.00 0.00 C ATOM 573 C ALA A 104 3.569 -1.340 4.665 1.00 0.00 C ATOM 574 O ALA A 104 2.776 -2.083 4.068 1.00 0.00 O ATOM 575 CB ALA A 104 4.674 0.340 3.225 1.00 0.00 C ATOM 0 H ALA A 104 4.632 -2.508 2.721 1.00 0.00 H new ATOM 0 HA ALA A 104 5.601 -0.727 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.299 1.132 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.628 0.645 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.957 0.156 2.425 1.00 0.00 H new ATOM 581 N ALA A 105 3.364 -0.893 5.861 1.00 0.00 N ATOM 582 CA ALA A 105 2.143 -1.112 6.552 1.00 0.00 C ATOM 583 C ALA A 105 1.260 0.069 6.271 1.00 0.00 C ATOM 584 O ALA A 105 1.633 1.225 6.548 1.00 0.00 O ATOM 585 CB ALA A 105 2.402 -1.257 8.026 1.00 0.00 C ATOM 0 H ALA A 105 4.053 -0.358 6.390 1.00 0.00 H new ATOM 0 HA ALA A 105 1.660 -2.031 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.459 -1.425 8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.066 -2.104 8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.869 -0.348 8.405 1.00 0.00 H new ATOM 591 N ILE A 106 0.128 -0.185 5.716 1.00 0.00 N ATOM 592 CA ILE A 106 -0.741 0.867 5.276 1.00 0.00 C ATOM 593 C ILE A 106 -2.104 0.714 5.895 1.00 0.00 C ATOM 594 O ILE A 106 -2.511 -0.386 6.233 1.00 0.00 O ATOM 595 CB ILE A 106 -0.848 0.870 3.717 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.373 -0.475 3.188 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.473 1.215 3.067 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.829 -0.460 2.880 1.00 0.00 C ATOM 0 H ILE A 106 -0.229 -1.126 5.551 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.320 1.820 5.596 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.566 1.645 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.821 -0.743 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.173 -1.251 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.358 1.207 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.790 2.206 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.224 0.481 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.133 -1.440 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.390 -0.222 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.032 0.293 2.119 1.00 0.00 H new ATOM 610 N THR A 107 -2.784 1.803 6.069 1.00 0.00 N ATOM 611 CA THR A 107 -4.104 1.799 6.612 1.00 0.00 C ATOM 612 C THR A 107 -5.064 2.459 5.630 1.00 0.00 C ATOM 613 O THR A 107 -4.861 3.611 5.223 1.00 0.00 O ATOM 614 CB THR A 107 -4.118 2.506 7.981 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.215 1.814 8.848 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.505 2.501 8.602 1.00 0.00 C ATOM 0 H THR A 107 -2.433 2.732 5.835 1.00 0.00 H new ATOM 0 HA THR A 107 -4.432 0.771 6.769 1.00 0.00 H new ATOM 0 HB THR A 107 -3.819 3.545 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.323 2.144 9.764 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.474 3.009 9.566 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.201 3.018 7.942 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.836 1.472 8.744 1.00 0.00 H new ATOM 624 N PHE A 108 -6.082 1.718 5.253 1.00 0.00 N ATOM 625 CA PHE A 108 -7.065 2.140 4.279 1.00 0.00 C ATOM 626 C PHE A 108 -7.922 3.250 4.816 1.00 0.00 C ATOM 627 O PHE A 108 -8.554 3.102 5.872 1.00 0.00 O ATOM 628 CB PHE A 108 -7.924 0.963 3.838 1.00 0.00 C ATOM 629 CG PHE A 108 -7.151 -0.068 3.079 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.840 0.159 1.753 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.729 -1.257 3.679 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.126 -0.757 1.024 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.009 -2.185 2.950 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.706 -1.933 1.619 1.00 0.00 C ATOM 0 H PHE A 108 -6.254 0.783 5.624 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.531 2.522 3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.374 0.499 4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.741 1.329 3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.165 1.075 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.966 -1.452 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.892 -0.561 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.683 -3.104 3.415 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.142 -2.655 1.048 1.00 0.00 H new ATOM 644 N ALA A 109 -7.964 4.334 4.082 1.00 0.00 N ATOM 645 CA ALA A 109 -8.669 5.513 4.490 1.00 0.00 C ATOM 646 C ALA A 109 -10.159 5.318 4.332 1.00 0.00 C ATOM 647 O ALA A 109 -10.622 4.749 3.336 1.00 0.00 O ATOM 648 CB ALA A 109 -8.194 6.714 3.691 1.00 0.00 C ATOM 0 H ALA A 109 -7.503 4.419 3.176 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.460 5.698 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.738 7.602 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.127 6.862 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.376 6.540 2.630 1.00 0.00 H new ATOM 654 N GLY A 110 -10.896 5.715 5.329 1.00 0.00 N ATOM 655 CA GLY A 110 -12.327 5.620 5.284 1.00 0.00 C ATOM 656 C GLY A 110 -12.821 4.350 5.906 1.00 0.00 C ATOM 657 O GLY A 110 -13.710 4.372 6.747 1.00 0.00 O ATOM 0 H GLY A 110 -10.525 6.112 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.764 6.473 5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.662 5.672 4.248 1.00 0.00 H new ATOM 661 N TYR A 111 -12.244 3.239 5.503 1.00 0.00 N ATOM 662 CA TYR A 111 -12.653 1.952 6.011 1.00 0.00 C ATOM 663 C TYR A 111 -12.018 1.693 7.371 1.00 0.00 C ATOM 664 O TYR A 111 -12.716 1.378 8.340 1.00 0.00 O ATOM 665 CB TYR A 111 -12.227 0.871 5.055 1.00 0.00 C ATOM 666 CG TYR A 111 -12.646 1.087 3.625 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.938 0.822 3.201 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.727 1.528 2.689 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.297 0.994 1.877 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.069 1.700 1.375 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.354 1.431 0.968 1.00 0.00 C ATOM 672 OH TYR A 111 -13.703 1.598 -0.359 1.00 0.00 O ATOM 0 H TYR A 111 -11.486 3.204 4.821 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.738 1.948 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.141 0.782 5.091 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.636 -0.079 5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.673 0.477 3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.716 1.742 3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.307 0.788 1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.334 2.045 0.663 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.052 1.138 -0.929 1.00 0.00 H new ATOM 682 N GLY A 112 -10.705 1.871 7.450 1.00 0.00 N ATOM 683 CA GLY A 112 -10.016 1.690 8.704 1.00 0.00 C ATOM 684 C GLY A 112 -9.355 0.323 8.893 1.00 0.00 C ATOM 685 O GLY A 112 -9.313 -0.191 10.012 1.00 0.00 O ATOM 0 H GLY A 112 -10.109 2.137 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.251 2.461 8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.726 1.848 9.516 1.00 0.00 H new ATOM 689 N ASN A 113 -8.861 -0.288 7.830 1.00 0.00 N ATOM 690 CA ASN A 113 -8.105 -1.542 7.996 1.00 0.00 C ATOM 691 C ASN A 113 -6.677 -1.283 7.667 1.00 0.00 C ATOM 692 O ASN A 113 -6.360 -0.263 7.068 1.00 0.00 O ATOM 693 CB ASN A 113 -8.569 -2.699 7.112 1.00 0.00 C ATOM 694 CG ASN A 113 -9.987 -3.145 7.305 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.598 -2.962 8.363 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.479 -3.818 6.328 1.00 0.00 N ATOM 0 H ASN A 113 -8.958 0.040 6.869 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.267 -1.846 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.439 -2.409 6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.913 -3.552 7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.410 -4.226 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.939 -3.944 5.472 1.00 0.00 H new ATOM 703 N ALA A 114 -5.826 -2.203 7.994 1.00 0.00 N ATOM 704 CA ALA A 114 -4.425 -2.049 7.751 1.00 0.00 C ATOM 705 C ALA A 114 -3.835 -3.348 7.280 1.00 0.00 C ATOM 706 O ALA A 114 -4.201 -4.415 7.788 1.00 0.00 O ATOM 707 CB ALA A 114 -3.724 -1.581 9.012 1.00 0.00 C ATOM 0 H ALA A 114 -6.083 -3.085 8.438 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.284 -1.298 6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.658 -1.467 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.139 -0.623 9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.870 -2.316 9.804 1.00 0.00 H new ATOM 713 N GLU A 115 -2.953 -3.276 6.320 1.00 0.00 N ATOM 714 CA GLU A 115 -2.289 -4.447 5.815 1.00 0.00 C ATOM 715 C GLU A 115 -0.856 -4.107 5.477 1.00 0.00 C ATOM 716 O GLU A 115 -0.510 -2.924 5.339 1.00 0.00 O ATOM 717 CB GLU A 115 -2.986 -5.039 4.573 1.00 0.00 C ATOM 718 CG GLU A 115 -2.885 -4.226 3.293 1.00 0.00 C ATOM 719 CD GLU A 115 -3.204 -5.077 2.078 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.394 -5.302 1.772 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.251 -5.595 1.455 1.00 0.00 O ATOM 0 H GLU A 115 -2.675 -2.406 5.867 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.329 -5.204 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.567 -6.028 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.041 -5.179 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.573 -3.382 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.880 -3.814 3.199 1.00 0.00 H new ATOM 728 N VAL A 116 -0.029 -5.113 5.395 1.00 0.00 N ATOM 729 CA VAL A 116 1.336 -4.944 4.968 1.00 0.00 C ATOM 730 C VAL A 116 1.418 -5.298 3.498 1.00 0.00 C ATOM 731 O VAL A 116 1.167 -6.449 3.105 1.00 0.00 O ATOM 732 CB VAL A 116 2.315 -5.822 5.787 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.734 -5.709 5.239 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.291 -5.399 7.244 1.00 0.00 C ATOM 0 H VAL A 116 -0.281 -6.075 5.622 1.00 0.00 H new ATOM 0 HA VAL A 116 1.631 -3.908 5.132 1.00 0.00 H new ATOM 0 HB VAL A 116 1.996 -6.861 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.403 -6.334 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.751 -6.040 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.064 -4.672 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.981 -6.020 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.591 -4.354 7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.283 -5.518 7.641 1.00 0.00 H new ATOM 744 N THR A 117 1.741 -4.334 2.707 1.00 0.00 N ATOM 745 CA THR A 117 1.774 -4.505 1.282 1.00 0.00 C ATOM 746 C THR A 117 3.092 -3.934 0.729 1.00 0.00 C ATOM 747 O THR A 117 3.628 -2.967 1.282 1.00 0.00 O ATOM 748 CB THR A 117 0.523 -3.851 0.602 1.00 0.00 C ATOM 749 OG1 THR A 117 0.414 -4.254 -0.775 1.00 0.00 O ATOM 750 CG2 THR A 117 0.583 -2.338 0.677 1.00 0.00 C ATOM 0 H THR A 117 1.992 -3.398 3.024 1.00 0.00 H new ATOM 0 HA THR A 117 1.733 -5.569 1.048 1.00 0.00 H new ATOM 0 HB THR A 117 -0.355 -4.197 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.375 -3.834 -1.177 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.299 -1.915 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.612 -2.026 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.479 -1.984 0.167 1.00 0.00 H new ATOM 758 N PRO A 118 3.702 -4.590 -0.271 1.00 0.00 N ATOM 759 CA PRO A 118 4.941 -4.119 -0.874 1.00 0.00 C ATOM 760 C PRO A 118 4.793 -2.738 -1.509 1.00 0.00 C ATOM 761 O PRO A 118 3.734 -2.391 -2.028 1.00 0.00 O ATOM 762 CB PRO A 118 5.247 -5.156 -1.954 1.00 0.00 C ATOM 763 CG PRO A 118 3.968 -5.844 -2.202 1.00 0.00 C ATOM 764 CD PRO A 118 3.223 -5.821 -0.906 1.00 0.00 C ATOM 0 HA PRO A 118 5.729 -4.016 -0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.621 -4.681 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.013 -5.857 -1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.401 -5.341 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.135 -6.868 -2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.144 -5.802 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.442 -6.700 -0.299 1.00 0.00 H new ATOM 772 N LEU A 119 5.867 -1.979 -1.477 1.00 0.00 N ATOM 773 CA LEU A 119 5.945 -0.634 -2.068 1.00 0.00 C ATOM 774 C LEU A 119 5.615 -0.665 -3.557 1.00 0.00 C ATOM 775 O LEU A 119 5.172 0.328 -4.127 1.00 0.00 O ATOM 776 CB LEU A 119 7.341 -0.045 -1.851 1.00 0.00 C ATOM 777 CG LEU A 119 7.806 0.044 -0.394 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.216 0.576 -0.306 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.867 0.895 0.437 1.00 0.00 C ATOM 0 H LEU A 119 6.736 -2.274 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 119 5.208 -0.003 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.060 -0.648 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.364 0.956 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 119 7.793 -0.967 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.520 0.629 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.890 -0.088 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.257 1.572 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.227 0.936 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.829 1.903 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.869 0.458 0.420 1.00 0.00 H new ATOM 791 N LEU A 120 5.852 -1.819 -4.173 1.00 0.00 N ATOM 792 CA LEU A 120 5.551 -2.045 -5.580 1.00 0.00 C ATOM 793 C LEU A 120 4.044 -2.002 -5.815 1.00 0.00 C ATOM 794 O LEU A 120 3.579 -1.634 -6.883 1.00 0.00 O ATOM 795 CB LEU A 120 6.151 -3.399 -6.039 1.00 0.00 C ATOM 796 CG LEU A 120 5.355 -4.686 -5.732 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.386 -4.988 -6.859 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.280 -5.858 -5.490 1.00 0.00 C ATOM 0 H LEU A 120 6.261 -2.628 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 120 6.004 -1.251 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.302 -3.349 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.136 -3.499 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 120 4.784 -4.522 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.832 -5.898 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.689 -4.158 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.940 -5.126 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.690 -6.749 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.889 -6.030 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.929 -5.640 -4.641 1.00 0.00 H new ATOM 810 N ASN A 121 3.296 -2.374 -4.801 1.00 0.00 N ATOM 811 CA ASN A 121 1.846 -2.416 -4.879 1.00 0.00 C ATOM 812 C ASN A 121 1.254 -1.078 -4.593 1.00 0.00 C ATOM 813 O ASN A 121 0.063 -0.850 -4.840 1.00 0.00 O ATOM 814 CB ASN A 121 1.248 -3.461 -3.925 1.00 0.00 C ATOM 815 CG ASN A 121 1.197 -4.851 -4.498 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.119 -5.037 -5.703 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.168 -5.831 -3.638 1.00 0.00 N ATOM 0 H ASN A 121 3.672 -2.657 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 121 1.597 -2.706 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.835 -3.478 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.238 -3.154 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.078 -6.793 -3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.236 -5.635 -2.639 1.00 0.00 H new ATOM 824 N LEU A 122 2.065 -0.184 -4.089 1.00 0.00 N ATOM 825 CA LEU A 122 1.600 1.120 -3.764 1.00 0.00 C ATOM 826 C LEU A 122 1.676 2.009 -4.973 1.00 0.00 C ATOM 827 O LEU A 122 2.696 2.059 -5.675 1.00 0.00 O ATOM 828 CB LEU A 122 2.410 1.707 -2.611 1.00 0.00 C ATOM 829 CG LEU A 122 2.315 0.976 -1.277 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.141 1.691 -0.225 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.869 0.865 -0.838 1.00 0.00 C ATOM 0 H LEU A 122 3.054 -0.346 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 122 0.560 1.052 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.458 1.738 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.091 2.738 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 122 2.713 -0.031 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.064 1.158 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.184 1.722 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.770 2.708 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.818 0.341 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.445 1.863 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.303 0.311 -1.587 1.00 0.00 H new ATOM 843 N LYS A 123 0.593 2.668 -5.235 1.00 0.00 N ATOM 844 CA LYS A 123 0.498 3.596 -6.332 1.00 0.00 C ATOM 845 C LYS A 123 0.269 4.973 -5.793 1.00 0.00 C ATOM 846 O LYS A 123 -0.247 5.111 -4.685 1.00 0.00 O ATOM 847 CB LYS A 123 -0.637 3.220 -7.290 1.00 0.00 C ATOM 848 CG LYS A 123 -0.494 1.844 -7.869 1.00 0.00 C ATOM 849 CD LYS A 123 -1.471 1.586 -9.007 1.00 0.00 C ATOM 850 CE LYS A 123 -2.926 1.633 -8.555 1.00 0.00 C ATOM 851 NZ LYS A 123 -3.852 1.295 -9.655 1.00 0.00 N ATOM 0 H LYS A 123 -0.265 2.581 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 123 1.432 3.562 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.587 3.287 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.673 3.946 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.525 1.710 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.652 1.105 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.314 2.328 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.262 0.610 -9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -3.073 0.937 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.158 2.629 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -4.775 1.023 -9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -3.971 2.121 -10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -3.463 0.502 -10.205 1.00 0.00 H new ATOM 865 N PRO A 124 0.637 6.009 -6.533 1.00 0.00 N ATOM 866 CA PRO A 124 0.356 7.367 -6.128 1.00 0.00 C ATOM 867 C PRO A 124 -1.136 7.662 -6.244 1.00 0.00 C ATOM 868 O PRO A 124 -1.853 7.047 -7.065 1.00 0.00 O ATOM 869 CB PRO A 124 1.170 8.229 -7.101 1.00 0.00 C ATOM 870 CG PRO A 124 1.402 7.366 -8.295 1.00 0.00 C ATOM 871 CD PRO A 124 1.362 5.941 -7.815 1.00 0.00 C ATOM 0 HA PRO A 124 0.621 7.561 -5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.628 9.135 -7.371 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.113 8.543 -6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.638 7.540 -9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.364 7.592 -8.755 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.850 5.295 -8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.366 5.537 -7.683 1.00 0.00 H new