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= -0.423 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.84 X(o=-2.3,f=-2.1!) USER MOD Single : A 74 LYS NZ :NH3+ -118:sc= 2.43 (180deg=-0.171) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.14) USER MOD Single : A 79 CYS SG : rot -14:sc= -2.01! USER MOD Single : A 80 MET CE :methyl 153:sc= -0.248 (180deg=-0.94) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0126 USER MOD Single : A 90 TYR OH : rot -4:sc= 0.223 USER MOD Single : A 101 ASN : amide:sc= 1.08 K(o=1.1,f=-0.26) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.902 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 111 TYR OH : rot -132:sc= 0.0465 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 123 LYS NZ :NH3+ -171:sc=-0.00234 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.392 5.600 -1.111 1.00 0.00 N ATOM 112 CA TRP A 73 7.308 6.018 -0.247 1.00 0.00 C ATOM 113 C TRP A 73 7.797 6.419 1.116 1.00 0.00 C ATOM 114 O TRP A 73 8.845 5.951 1.559 1.00 0.00 O ATOM 115 CB TRP A 73 6.303 4.896 -0.113 1.00 0.00 C ATOM 116 CG TRP A 73 5.584 4.603 -1.382 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.793 3.554 -2.209 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.558 5.392 -1.984 1.00 0.00 C ATOM 119 NE1 TRP A 73 4.947 3.623 -3.278 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.183 4.741 -3.165 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.912 6.583 -1.636 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.203 5.226 -3.998 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.933 7.066 -2.472 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.590 6.384 -3.640 1.00 0.00 C ATOM 0 HA TRP A 73 6.840 6.891 -0.703 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.816 3.995 0.224 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.577 5.156 0.657 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.523 2.775 -2.047 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.897 2.945 -4.038 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.176 7.111 -0.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.930 4.705 -4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.423 7.985 -2.222 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.816 6.788 -4.276 1.00 0.00 H new ATOM 135 N LYS A 74 7.066 7.308 1.764 1.00 0.00 N ATOM 136 CA LYS A 74 7.383 7.710 3.110 1.00 0.00 C ATOM 137 C LYS A 74 6.142 7.672 3.995 1.00 0.00 C ATOM 138 O LYS A 74 5.009 7.647 3.502 1.00 0.00 O ATOM 139 CB LYS A 74 8.017 9.090 3.161 1.00 0.00 C ATOM 140 CG LYS A 74 7.159 10.207 2.588 1.00 0.00 C ATOM 141 CD LYS A 74 7.722 11.572 2.959 1.00 0.00 C ATOM 142 CE LYS A 74 7.461 11.881 4.431 1.00 0.00 C ATOM 143 NZ LYS A 74 6.040 12.170 4.677 1.00 0.00 N ATOM 0 H LYS A 74 6.243 7.765 1.370 1.00 0.00 H new ATOM 0 HA LYS A 74 8.113 6.995 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.253 9.328 4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.961 9.061 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.110 10.113 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.139 10.116 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.794 11.595 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.267 12.341 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.772 11.034 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.065 12.735 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.940 13.143 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.506 12.068 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.668 11.504 5.384 1.00 0.00 H new ATOM 157 N VAL A 75 6.375 7.645 5.284 1.00 0.00 N ATOM 158 CA VAL A 75 5.328 7.633 6.296 1.00 0.00 C ATOM 159 C VAL A 75 4.485 8.919 6.260 1.00 0.00 C ATOM 160 O VAL A 75 5.016 10.013 6.055 1.00 0.00 O ATOM 161 CB VAL A 75 5.961 7.444 7.702 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.963 7.673 8.822 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.564 6.059 7.812 1.00 0.00 C ATOM 0 H VAL A 75 7.317 7.630 5.676 1.00 0.00 H new ATOM 0 HA VAL A 75 4.660 6.799 6.080 1.00 0.00 H new ATOM 0 HB VAL A 75 6.742 8.196 7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.456 7.529 9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.576 8.690 8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.140 6.965 8.726 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.006 5.932 8.800 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.786 5.310 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.335 5.936 7.051 1.00 0.00 H new ATOM 173 N GLY A 76 3.173 8.768 6.423 1.00 0.00 N ATOM 174 CA GLY A 76 2.278 9.910 6.485 1.00 0.00 C ATOM 175 C GLY A 76 1.772 10.309 5.127 1.00 0.00 C ATOM 176 O GLY A 76 1.095 11.338 4.968 1.00 0.00 O ATOM 0 H GLY A 76 2.710 7.864 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.432 9.672 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.798 10.753 6.939 1.00 0.00 H new ATOM 180 N ASP A 77 2.105 9.522 4.148 1.00 0.00 N ATOM 181 CA ASP A 77 1.714 9.793 2.789 1.00 0.00 C ATOM 182 C ASP A 77 0.585 8.919 2.332 1.00 0.00 C ATOM 183 O ASP A 77 0.405 7.796 2.823 1.00 0.00 O ATOM 184 CB ASP A 77 2.914 9.688 1.861 1.00 0.00 C ATOM 185 CG ASP A 77 3.732 10.962 1.855 1.00 0.00 C ATOM 186 OD1 ASP A 77 4.259 11.355 2.910 1.00 0.00 O ATOM 187 OD2 ASP A 77 3.811 11.631 0.814 1.00 0.00 O ATOM 0 H ASP A 77 2.656 8.672 4.265 1.00 0.00 H new ATOM 0 HA ASP A 77 1.339 10.816 2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.543 8.854 2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.573 9.470 0.849 1.00 0.00 H new ATOM 192 N LYS A 78 -0.177 9.438 1.402 1.00 0.00 N ATOM 193 CA LYS A 78 -1.305 8.748 0.837 1.00 0.00 C ATOM 194 C LYS A 78 -0.869 7.982 -0.378 1.00 0.00 C ATOM 195 O LYS A 78 -0.121 8.494 -1.213 1.00 0.00 O ATOM 196 CB LYS A 78 -2.389 9.743 0.424 1.00 0.00 C ATOM 197 CG LYS A 78 -3.197 10.351 1.549 1.00 0.00 C ATOM 198 CD LYS A 78 -4.230 9.364 2.061 1.00 0.00 C ATOM 199 CE LYS A 78 -5.152 10.009 3.071 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.281 9.130 3.420 1.00 0.00 N ATOM 0 H LYS A 78 -0.027 10.368 1.011 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.705 8.068 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.918 10.551 -0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.075 9.240 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.534 10.645 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.693 11.256 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.815 8.980 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.727 8.511 2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.590 10.254 3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.533 10.947 2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.773 9.511 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.943 9.080 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.925 8.177 3.635 1.00 0.00 H new ATOM 214 N CYS A 79 -1.326 6.791 -0.476 1.00 0.00 N ATOM 215 CA CYS A 79 -1.041 5.946 -1.582 1.00 0.00 C ATOM 216 C CYS A 79 -2.276 5.135 -1.892 1.00 0.00 C ATOM 217 O CYS A 79 -3.304 5.276 -1.225 1.00 0.00 O ATOM 218 CB CYS A 79 0.116 5.019 -1.238 1.00 0.00 C ATOM 219 SG CYS A 79 -0.164 4.005 0.244 1.00 0.00 S ATOM 0 H CYS A 79 -1.926 6.361 0.228 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.761 6.544 -2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.305 4.360 -2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.016 5.617 -1.092 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.182 4.472 0.904 1.00 0.00 H new ATOM 225 N MET A 80 -2.214 4.345 -2.897 1.00 0.00 N ATOM 226 CA MET A 80 -3.281 3.453 -3.195 1.00 0.00 C ATOM 227 C MET A 80 -2.715 2.082 -3.131 1.00 0.00 C ATOM 228 O MET A 80 -1.684 1.816 -3.735 1.00 0.00 O ATOM 229 CB MET A 80 -3.883 3.713 -4.569 1.00 0.00 C ATOM 230 CG MET A 80 -4.237 5.166 -4.818 1.00 0.00 C ATOM 231 SD MET A 80 -5.200 5.409 -6.312 1.00 0.00 S ATOM 232 CE MET A 80 -6.706 4.567 -5.838 1.00 0.00 C ATOM 0 H MET A 80 -1.424 4.294 -3.540 1.00 0.00 H new ATOM 0 HA MET A 80 -4.091 3.591 -2.479 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.177 3.385 -5.332 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.781 3.106 -4.683 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.798 5.549 -3.965 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.320 5.751 -4.885 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.548 4.994 -6.383 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.620 3.507 -6.075 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.868 4.687 -4.767 1.00 0.00 H new ATOM 242 N ALA A 81 -3.358 1.238 -2.413 1.00 0.00 N ATOM 243 CA ALA A 81 -2.883 -0.085 -2.184 1.00 0.00 C ATOM 244 C ALA A 81 -3.865 -1.062 -2.716 1.00 0.00 C ATOM 245 O ALA A 81 -5.056 -0.761 -2.815 1.00 0.00 O ATOM 246 CB ALA A 81 -2.688 -0.311 -0.705 1.00 0.00 C ATOM 0 H ALA A 81 -4.246 1.446 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.928 -0.218 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.325 -1.325 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.960 0.404 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.638 -0.176 -0.188 1.00 0.00 H new ATOM 252 N VAL A 82 -3.390 -2.205 -3.075 1.00 0.00 N ATOM 253 CA VAL A 82 -4.239 -3.254 -3.535 1.00 0.00 C ATOM 254 C VAL A 82 -4.698 -4.020 -2.328 1.00 0.00 C ATOM 255 O VAL A 82 -3.887 -4.620 -1.641 1.00 0.00 O ATOM 256 CB VAL A 82 -3.495 -4.213 -4.499 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.423 -5.312 -4.999 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.892 -3.446 -5.667 1.00 0.00 C ATOM 0 H VAL A 82 -2.398 -2.441 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.077 -2.826 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.683 -4.683 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.876 -5.971 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.795 -5.888 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.263 -4.865 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.375 -4.140 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.685 -2.940 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.184 -2.708 -5.291 1.00 0.00 H new ATOM 268 N TRP A 83 -5.978 -3.959 -2.059 1.00 0.00 N ATOM 269 CA TRP A 83 -6.553 -4.628 -0.933 1.00 0.00 C ATOM 270 C TRP A 83 -6.468 -6.094 -1.181 1.00 0.00 C ATOM 271 O TRP A 83 -7.107 -6.604 -2.105 1.00 0.00 O ATOM 272 CB TRP A 83 -8.014 -4.218 -0.747 1.00 0.00 C ATOM 273 CG TRP A 83 -8.596 -4.635 0.579 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.926 -4.738 1.747 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.958 -4.958 0.879 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.755 -5.123 2.752 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.015 -5.261 2.251 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.128 -5.028 0.133 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.193 -5.630 2.881 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.296 -5.395 0.769 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.311 -5.690 2.132 1.00 0.00 C ATOM 0 H TRP A 83 -6.650 -3.438 -2.623 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.012 -4.357 -0.026 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.094 -3.135 -0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.610 -4.655 -1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.871 -4.540 1.866 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.480 -5.282 3.721 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.123 -4.800 -0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.214 -5.861 3.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.213 -5.455 0.202 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.243 -5.974 2.599 1.00 0.00 H new ATOM 292 N SER A 84 -5.714 -6.763 -0.365 1.00 0.00 N ATOM 293 CA SER A 84 -5.446 -8.185 -0.511 1.00 0.00 C ATOM 294 C SER A 84 -6.749 -9.021 -0.435 1.00 0.00 C ATOM 295 O SER A 84 -6.813 -10.162 -0.920 1.00 0.00 O ATOM 296 CB SER A 84 -4.431 -8.624 0.561 1.00 0.00 C ATOM 297 OG SER A 84 -3.985 -9.956 0.361 1.00 0.00 O ATOM 0 H SER A 84 -5.253 -6.340 0.441 1.00 0.00 H new ATOM 0 HA SER A 84 -5.019 -8.364 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.575 -7.950 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.887 -8.539 1.547 1.00 0.00 H new ATOM 0 HG SER A 84 -3.342 -10.194 1.061 1.00 0.00 H new ATOM 303 N GLU A 85 -7.794 -8.434 0.114 1.00 0.00 N ATOM 304 CA GLU A 85 -9.052 -9.133 0.270 1.00 0.00 C ATOM 305 C GLU A 85 -9.902 -9.072 -0.975 1.00 0.00 C ATOM 306 O GLU A 85 -10.697 -9.966 -1.232 1.00 0.00 O ATOM 307 CB GLU A 85 -9.834 -8.535 1.389 1.00 0.00 C ATOM 308 CG GLU A 85 -9.120 -8.528 2.709 1.00 0.00 C ATOM 309 CD GLU A 85 -8.816 -9.912 3.223 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.694 -10.524 3.868 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.713 -10.425 2.982 1.00 0.00 O ATOM 0 H GLU A 85 -7.796 -7.474 0.459 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.805 -10.175 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.096 -7.510 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.769 -9.085 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.188 -7.971 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.729 -8.000 3.442 1.00 0.00 H new ATOM 318 N ASP A 86 -9.776 -8.011 -1.720 1.00 0.00 N ATOM 319 CA ASP A 86 -10.646 -7.842 -2.894 1.00 0.00 C ATOM 320 C ASP A 86 -9.857 -7.881 -4.189 1.00 0.00 C ATOM 321 O ASP A 86 -10.399 -8.134 -5.259 1.00 0.00 O ATOM 322 CB ASP A 86 -11.400 -6.525 -2.780 1.00 0.00 C ATOM 323 CG ASP A 86 -12.506 -6.376 -3.776 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.559 -6.996 -3.593 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.369 -5.603 -4.716 1.00 0.00 O ATOM 0 H ASP A 86 -9.106 -7.259 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.352 -8.672 -2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.814 -6.440 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.697 -5.702 -2.906 1.00 0.00 H new ATOM 330 N GLY A 87 -8.573 -7.663 -4.086 1.00 0.00 N ATOM 331 CA GLY A 87 -7.713 -7.667 -5.258 1.00 0.00 C ATOM 332 C GLY A 87 -7.767 -6.359 -6.038 1.00 0.00 C ATOM 333 O GLY A 87 -7.240 -6.263 -7.143 1.00 0.00 O ATOM 0 H GLY A 87 -8.091 -7.480 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.685 -7.857 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.005 -8.487 -5.914 1.00 0.00 H new ATOM 337 N GLN A 88 -8.399 -5.360 -5.470 1.00 0.00 N ATOM 338 CA GLN A 88 -8.526 -4.061 -6.118 1.00 0.00 C ATOM 339 C GLN A 88 -7.776 -3.006 -5.354 1.00 0.00 C ATOM 340 O GLN A 88 -7.411 -3.224 -4.207 1.00 0.00 O ATOM 341 CB GLN A 88 -9.986 -3.674 -6.315 1.00 0.00 C ATOM 342 CG GLN A 88 -10.699 -4.487 -7.378 1.00 0.00 C ATOM 343 CD GLN A 88 -10.107 -4.286 -8.761 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.523 -3.401 -9.502 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.146 -5.100 -9.121 1.00 0.00 N ATOM 0 H GLN A 88 -8.840 -5.416 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.078 -4.139 -7.109 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.513 -3.790 -5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.039 -2.619 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.650 -5.544 -7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.753 -4.211 -7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.825 -5.825 -8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.719 -5.009 -10.043 1.00 0.00 H new ATOM 354 N CYS A 89 -7.572 -1.867 -5.959 1.00 0.00 N ATOM 355 CA CYS A 89 -6.801 -0.818 -5.332 1.00 0.00 C ATOM 356 C CYS A 89 -7.690 0.244 -4.708 1.00 0.00 C ATOM 357 O CYS A 89 -8.672 0.699 -5.315 1.00 0.00 O ATOM 358 CB CYS A 89 -5.761 -0.219 -6.291 1.00 0.00 C ATOM 359 SG CYS A 89 -6.419 0.409 -7.850 1.00 0.00 S ATOM 0 H CYS A 89 -7.928 -1.638 -6.887 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.243 -1.276 -4.515 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.246 0.594 -5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.014 -0.981 -6.512 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.448 0.889 -8.569 1.00 0.00 H new ATOM 365 N TYR A 90 -7.343 0.613 -3.499 1.00 0.00 N ATOM 366 CA TYR A 90 -8.085 1.545 -2.674 1.00 0.00 C ATOM 367 C TYR A 90 -7.097 2.496 -2.027 1.00 0.00 C ATOM 368 O TYR A 90 -5.906 2.176 -1.936 1.00 0.00 O ATOM 369 CB TYR A 90 -8.853 0.789 -1.583 1.00 0.00 C ATOM 370 CG TYR A 90 -9.921 -0.183 -2.081 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.572 -1.432 -2.572 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.270 0.141 -2.034 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.516 -2.326 -3.007 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.231 -0.755 -2.467 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.843 -1.989 -2.957 1.00 0.00 C ATOM 376 OH TYR A 90 -12.795 -2.885 -3.405 1.00 0.00 O ATOM 0 H TYR A 90 -6.503 0.260 -3.041 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.800 2.094 -3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.136 0.234 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.328 1.518 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.529 -1.708 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.573 1.105 -1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.215 -3.291 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.278 -0.493 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.351 -3.674 -3.780 1.00 0.00 H new ATOM 386 N GLU A 91 -7.561 3.647 -1.604 1.00 0.00 N ATOM 387 CA GLU A 91 -6.697 4.641 -1.005 1.00 0.00 C ATOM 388 C GLU A 91 -6.293 4.218 0.403 1.00 0.00 C ATOM 389 O GLU A 91 -7.127 3.808 1.218 1.00 0.00 O ATOM 390 CB GLU A 91 -7.382 6.003 -0.945 1.00 0.00 C ATOM 391 CG GLU A 91 -6.487 7.108 -0.398 1.00 0.00 C ATOM 392 CD GLU A 91 -7.208 8.403 -0.232 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.554 9.033 -1.250 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.442 8.836 0.937 1.00 0.00 O ATOM 0 H GLU A 91 -8.541 3.922 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.808 4.723 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.715 6.278 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.273 5.926 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.080 6.797 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.641 7.251 -1.070 1.00 0.00 H new ATOM 401 N ALA A 92 -5.032 4.317 0.674 1.00 0.00 N ATOM 402 CA ALA A 92 -4.493 3.956 1.947 1.00 0.00 C ATOM 403 C ALA A 92 -3.373 4.897 2.325 1.00 0.00 C ATOM 404 O ALA A 92 -2.689 5.430 1.464 1.00 0.00 O ATOM 405 CB ALA A 92 -3.987 2.543 1.900 1.00 0.00 C ATOM 0 H ALA A 92 -4.337 4.656 0.009 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.278 4.029 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.577 2.271 2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.808 1.871 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.208 2.460 1.142 1.00 0.00 H new ATOM 411 N GLU A 93 -3.186 5.107 3.581 1.00 0.00 N ATOM 412 CA GLU A 93 -2.149 5.979 4.040 1.00 0.00 C ATOM 413 C GLU A 93 -1.070 5.152 4.710 1.00 0.00 C ATOM 414 O GLU A 93 -1.371 4.199 5.439 1.00 0.00 O ATOM 415 CB GLU A 93 -2.719 7.028 4.981 1.00 0.00 C ATOM 416 CG GLU A 93 -1.731 8.113 5.367 1.00 0.00 C ATOM 417 CD GLU A 93 -2.345 9.159 6.238 1.00 0.00 C ATOM 418 OE1 GLU A 93 -3.150 9.956 5.750 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.022 9.216 7.440 1.00 0.00 O ATOM 0 H GLU A 93 -3.744 4.683 4.322 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.707 6.509 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.586 7.491 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.074 6.535 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.885 7.662 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.338 8.581 4.464 1.00 0.00 H new ATOM 426 N ILE A 94 0.158 5.479 4.422 1.00 0.00 N ATOM 427 CA ILE A 94 1.305 4.758 4.940 1.00 0.00 C ATOM 428 C ILE A 94 1.600 5.125 6.383 1.00 0.00 C ATOM 429 O ILE A 94 1.837 6.296 6.711 1.00 0.00 O ATOM 430 CB ILE A 94 2.549 5.019 4.084 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.239 4.656 2.644 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.724 4.175 4.599 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.271 5.116 1.667 1.00 0.00 C ATOM 0 H ILE A 94 0.402 6.261 3.815 1.00 0.00 H new ATOM 0 HA ILE A 94 1.054 3.698 4.899 1.00 0.00 H new ATOM 0 HB ILE A 94 2.824 6.072 4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.137 3.574 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.276 5.087 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.605 4.365 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.938 4.442 5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.465 3.118 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.977 4.818 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.358 6.202 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.232 4.664 1.913 1.00 0.00 H new ATOM 445 N GLU A 95 1.610 4.119 7.213 1.00 0.00 N ATOM 446 CA GLU A 95 1.883 4.262 8.622 1.00 0.00 C ATOM 447 C GLU A 95 3.337 3.957 8.932 1.00 0.00 C ATOM 448 O GLU A 95 3.974 4.658 9.708 1.00 0.00 O ATOM 449 CB GLU A 95 0.998 3.306 9.397 1.00 0.00 C ATOM 450 CG GLU A 95 -0.463 3.623 9.275 1.00 0.00 C ATOM 451 CD GLU A 95 -0.827 4.898 9.984 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.087 4.870 11.211 1.00 0.00 O ATOM 453 OE2 GLU A 95 -0.859 5.948 9.342 1.00 0.00 O ATOM 0 H GLU A 95 1.426 3.158 6.927 1.00 0.00 H new ATOM 0 HA GLU A 95 1.678 5.293 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.174 2.290 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.282 3.330 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.728 3.706 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.048 2.800 9.687 1.00 0.00 H new ATOM 460 N GLU A 96 3.858 2.923 8.316 1.00 0.00 N ATOM 461 CA GLU A 96 5.203 2.468 8.603 1.00 0.00 C ATOM 462 C GLU A 96 5.742 1.737 7.394 1.00 0.00 C ATOM 463 O GLU A 96 4.969 1.168 6.628 1.00 0.00 O ATOM 464 CB GLU A 96 5.164 1.547 9.834 1.00 0.00 C ATOM 465 CG GLU A 96 6.509 1.035 10.301 1.00 0.00 C ATOM 466 CD GLU A 96 6.401 0.242 11.573 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.232 0.854 12.647 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.501 -1.001 11.534 1.00 0.00 O ATOM 0 H GLU A 96 3.369 2.376 7.608 1.00 0.00 H new ATOM 0 HA GLU A 96 5.859 3.311 8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.694 2.086 10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.527 0.692 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.950 0.412 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.183 1.877 10.455 1.00 0.00 H new ATOM 475 N ILE A 97 7.033 1.793 7.197 1.00 0.00 N ATOM 476 CA ILE A 97 7.671 1.144 6.073 1.00 0.00 C ATOM 477 C ILE A 97 8.736 0.175 6.571 1.00 0.00 C ATOM 478 O ILE A 97 9.528 0.508 7.445 1.00 0.00 O ATOM 479 CB ILE A 97 8.322 2.210 5.151 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.257 3.173 4.645 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.048 1.563 3.966 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.798 4.504 4.294 1.00 0.00 C ATOM 0 H ILE A 97 7.677 2.291 7.812 1.00 0.00 H new ATOM 0 HA ILE A 97 6.921 0.591 5.508 1.00 0.00 H new ATOM 0 HB ILE A 97 9.061 2.756 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.772 2.742 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.489 3.290 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.491 2.340 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.833 0.903 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.337 0.985 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.989 5.144 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.258 4.953 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.546 4.397 3.508 1.00 0.00 H new ATOM 494 N ASP A 98 8.719 -1.009 6.026 1.00 0.00 N ATOM 495 CA ASP A 98 9.707 -2.029 6.300 1.00 0.00 C ATOM 496 C ASP A 98 10.643 -2.034 5.127 1.00 0.00 C ATOM 497 O ASP A 98 10.382 -2.652 4.089 1.00 0.00 O ATOM 498 CB ASP A 98 9.063 -3.412 6.461 1.00 0.00 C ATOM 499 CG ASP A 98 10.072 -4.499 6.792 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.835 -4.912 5.911 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.108 -4.972 7.962 1.00 0.00 O ATOM 0 H ASP A 98 8.003 -1.304 5.362 1.00 0.00 H new ATOM 0 HA ASP A 98 10.224 -1.814 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.312 -3.368 7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.543 -3.674 5.540 1.00 0.00 H new ATOM 506 N GLU A 99 11.679 -1.267 5.250 1.00 0.00 N ATOM 507 CA GLU A 99 12.658 -1.080 4.202 1.00 0.00 C ATOM 508 C GLU A 99 13.438 -2.355 3.893 1.00 0.00 C ATOM 509 O GLU A 99 14.070 -2.456 2.847 1.00 0.00 O ATOM 510 CB GLU A 99 13.590 0.052 4.560 1.00 0.00 C ATOM 511 CG GLU A 99 12.859 1.349 4.862 1.00 0.00 C ATOM 512 CD GLU A 99 13.778 2.476 5.227 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.248 2.538 6.391 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.059 3.328 4.368 1.00 0.00 O ATOM 0 H GLU A 99 11.882 -0.737 6.097 1.00 0.00 H new ATOM 0 HA GLU A 99 12.117 -0.823 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.184 -0.234 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.286 0.217 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.270 1.637 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.158 1.181 5.680 1.00 0.00 H new ATOM 521 N GLU A 100 13.394 -3.308 4.803 1.00 0.00 N ATOM 522 CA GLU A 100 14.104 -4.560 4.664 1.00 0.00 C ATOM 523 C GLU A 100 13.468 -5.386 3.545 1.00 0.00 C ATOM 524 O GLU A 100 14.164 -5.982 2.721 1.00 0.00 O ATOM 525 CB GLU A 100 14.018 -5.334 5.978 1.00 0.00 C ATOM 526 CG GLU A 100 14.899 -6.575 6.043 1.00 0.00 C ATOM 527 CD GLU A 100 16.374 -6.259 6.046 1.00 0.00 C ATOM 528 OE1 GLU A 100 16.960 -6.014 4.980 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.984 -6.254 7.131 1.00 0.00 O ATOM 0 H GLU A 100 12.858 -3.232 5.668 1.00 0.00 H new ATOM 0 HA GLU A 100 15.148 -4.364 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.292 -4.667 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.982 -5.631 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.654 -7.140 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.674 -7.217 5.192 1.00 0.00 H new ATOM 536 N ASN A 101 12.152 -5.403 3.514 1.00 0.00 N ATOM 537 CA ASN A 101 11.408 -6.148 2.492 1.00 0.00 C ATOM 538 C ASN A 101 10.918 -5.232 1.410 1.00 0.00 C ATOM 539 O ASN A 101 10.499 -5.685 0.336 1.00 0.00 O ATOM 540 CB ASN A 101 10.186 -6.840 3.098 1.00 0.00 C ATOM 541 CG ASN A 101 10.514 -7.891 4.120 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.637 -9.073 3.798 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.671 -7.483 5.338 1.00 0.00 N ATOM 0 H ASN A 101 11.563 -4.910 4.185 1.00 0.00 H new ATOM 0 HA ASN A 101 12.095 -6.887 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.549 -6.086 3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.607 -7.298 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.906 -8.150 6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.560 -6.494 5.563 1.00 0.00 H new ATOM 550 N GLY A 102 10.965 -3.941 1.676 1.00 0.00 N ATOM 551 CA GLY A 102 10.413 -2.991 0.750 1.00 0.00 C ATOM 552 C GLY A 102 8.901 -3.018 0.824 1.00 0.00 C ATOM 553 O GLY A 102 8.201 -2.858 -0.192 1.00 0.00 O ATOM 0 H GLY A 102 11.376 -3.536 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.779 -1.991 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.740 -3.225 -0.263 1.00 0.00 H new ATOM 557 N THR A 103 8.393 -3.256 2.012 1.00 0.00 N ATOM 558 CA THR A 103 6.980 -3.316 2.238 1.00 0.00 C ATOM 559 C THR A 103 6.537 -2.166 3.128 1.00 0.00 C ATOM 560 O THR A 103 7.358 -1.537 3.782 1.00 0.00 O ATOM 561 CB THR A 103 6.588 -4.677 2.856 1.00 0.00 C ATOM 562 OG1 THR A 103 7.483 -4.994 3.937 1.00 0.00 O ATOM 563 CG2 THR A 103 6.635 -5.794 1.821 1.00 0.00 C ATOM 0 H THR A 103 8.957 -3.413 2.847 1.00 0.00 H new ATOM 0 HA THR A 103 6.469 -3.221 1.280 1.00 0.00 H new ATOM 0 HB THR A 103 5.566 -4.595 3.226 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.231 -5.857 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.354 -6.737 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.940 -5.570 1.012 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.645 -5.876 1.420 1.00 0.00 H new ATOM 571 N ALA A 104 5.272 -1.856 3.114 1.00 0.00 N ATOM 572 CA ALA A 104 4.756 -0.799 3.930 1.00 0.00 C ATOM 573 C ALA A 104 3.454 -1.200 4.560 1.00 0.00 C ATOM 574 O ALA A 104 2.662 -1.943 3.971 1.00 0.00 O ATOM 575 CB ALA A 104 4.576 0.469 3.115 1.00 0.00 C ATOM 0 H ALA A 104 4.574 -2.327 2.539 1.00 0.00 H new ATOM 0 HA ALA A 104 5.478 -0.603 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.183 1.260 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.538 0.778 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.878 0.281 2.299 1.00 0.00 H new ATOM 581 N ALA A 105 3.253 -0.736 5.751 1.00 0.00 N ATOM 582 CA ALA A 105 2.043 -0.944 6.471 1.00 0.00 C ATOM 583 C ALA A 105 1.158 0.237 6.204 1.00 0.00 C ATOM 584 O ALA A 105 1.532 1.395 6.484 1.00 0.00 O ATOM 585 CB ALA A 105 2.336 -1.070 7.932 1.00 0.00 C ATOM 0 H ALA A 105 3.945 -0.188 6.261 1.00 0.00 H new ATOM 0 HA ALA A 105 1.550 -1.863 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.406 -1.229 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.003 -1.916 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.813 -0.157 8.287 1.00 0.00 H new ATOM 591 N ILE A 106 0.026 -0.025 5.653 1.00 0.00 N ATOM 592 CA ILE A 106 -0.848 1.014 5.197 1.00 0.00 C ATOM 593 C ILE A 106 -2.230 0.873 5.801 1.00 0.00 C ATOM 594 O ILE A 106 -2.688 -0.230 6.053 1.00 0.00 O ATOM 595 CB ILE A 106 -0.925 0.989 3.640 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.363 -0.394 3.125 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.386 1.399 3.005 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.815 -0.487 2.830 1.00 0.00 C ATOM 0 H ILE A 106 -0.328 -0.970 5.502 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.444 1.973 5.521 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.679 1.720 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.801 -0.630 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.103 -1.148 3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.290 1.368 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.641 2.411 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.173 0.713 3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.050 -1.489 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.384 -0.283 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.078 0.243 2.064 1.00 0.00 H new ATOM 610 N THR A 107 -2.869 1.983 6.038 1.00 0.00 N ATOM 611 CA THR A 107 -4.199 2.002 6.585 1.00 0.00 C ATOM 612 C THR A 107 -5.190 2.551 5.556 1.00 0.00 C ATOM 613 O THR A 107 -5.034 3.677 5.055 1.00 0.00 O ATOM 614 CB THR A 107 -4.236 2.829 7.878 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.263 2.289 8.770 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.611 2.766 8.538 1.00 0.00 C ATOM 0 H THR A 107 -2.480 2.908 5.856 1.00 0.00 H new ATOM 0 HA THR A 107 -4.491 0.981 6.828 1.00 0.00 H new ATOM 0 HB THR A 107 -4.024 3.872 7.643 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.265 2.802 9.605 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.604 3.362 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.362 3.160 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.850 1.731 8.782 1.00 0.00 H new ATOM 624 N PHE A 108 -6.189 1.752 5.257 1.00 0.00 N ATOM 625 CA PHE A 108 -7.188 2.073 4.267 1.00 0.00 C ATOM 626 C PHE A 108 -8.100 3.177 4.708 1.00 0.00 C ATOM 627 O PHE A 108 -8.700 3.113 5.796 1.00 0.00 O ATOM 628 CB PHE A 108 -7.982 0.850 3.874 1.00 0.00 C ATOM 629 CG PHE A 108 -7.186 -0.130 3.083 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.930 0.124 1.749 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.696 -1.298 3.656 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.203 -0.758 0.986 1.00 0.00 C ATOM 633 CE2 PHE A 108 -5.965 -2.190 2.897 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.715 -1.918 1.558 1.00 0.00 C ATOM 0 H PHE A 108 -6.331 0.846 5.703 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.650 2.433 3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.358 0.363 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.850 1.159 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.307 1.030 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.888 -1.508 4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.014 -0.546 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.588 -3.098 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.140 -2.613 0.964 1.00 0.00 H new ATOM 644 N ALA A 109 -8.206 4.169 3.853 1.00 0.00 N ATOM 645 CA ALA A 109 -8.980 5.357 4.095 1.00 0.00 C ATOM 646 C ALA A 109 -10.454 5.058 4.300 1.00 0.00 C ATOM 647 O ALA A 109 -11.105 4.438 3.453 1.00 0.00 O ATOM 648 CB ALA A 109 -8.791 6.334 2.951 1.00 0.00 C ATOM 0 H ALA A 109 -7.741 4.168 2.945 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.617 5.802 5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.379 7.232 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.737 6.601 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.121 5.872 2.020 1.00 0.00 H new ATOM 654 N GLY A 110 -10.960 5.450 5.444 1.00 0.00 N ATOM 655 CA GLY A 110 -12.359 5.305 5.737 1.00 0.00 C ATOM 656 C GLY A 110 -12.689 3.986 6.386 1.00 0.00 C ATOM 657 O GLY A 110 -13.372 3.942 7.413 1.00 0.00 O ATOM 0 H GLY A 110 -10.414 5.876 6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.673 6.116 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.930 5.403 4.814 1.00 0.00 H new ATOM 661 N TYR A 111 -12.204 2.916 5.801 1.00 0.00 N ATOM 662 CA TYR A 111 -12.500 1.584 6.269 1.00 0.00 C ATOM 663 C TYR A 111 -11.743 1.285 7.556 1.00 0.00 C ATOM 664 O TYR A 111 -12.257 0.621 8.455 1.00 0.00 O ATOM 665 CB TYR A 111 -12.123 0.581 5.221 1.00 0.00 C ATOM 666 CG TYR A 111 -12.651 0.862 3.829 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.964 0.577 3.475 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.805 1.363 2.854 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.414 0.795 2.179 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.233 1.578 1.568 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.540 1.292 1.229 1.00 0.00 C ATOM 672 OH TYR A 111 -13.972 1.490 -0.064 1.00 0.00 O ATOM 0 H TYR A 111 -11.592 2.946 4.986 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.570 1.519 6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.036 0.523 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.481 -0.399 5.536 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.643 0.181 4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.781 1.591 3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.439 0.578 1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.552 1.968 0.826 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.320 1.110 -0.689 1.00 0.00 H new ATOM 682 N GLY A 112 -10.509 1.741 7.613 1.00 0.00 N ATOM 683 CA GLY A 112 -9.727 1.627 8.825 1.00 0.00 C ATOM 684 C GLY A 112 -8.955 0.327 8.966 1.00 0.00 C ATOM 685 O GLY A 112 -8.585 -0.050 10.078 1.00 0.00 O ATOM 0 H GLY A 112 -10.027 2.193 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.022 2.458 8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.393 1.732 9.681 1.00 0.00 H new ATOM 689 N ASN A 113 -8.696 -0.367 7.871 1.00 0.00 N ATOM 690 CA ASN A 113 -7.900 -1.598 7.978 1.00 0.00 C ATOM 691 C ASN A 113 -6.484 -1.297 7.674 1.00 0.00 C ATOM 692 O ASN A 113 -6.178 -0.242 7.129 1.00 0.00 O ATOM 693 CB ASN A 113 -8.344 -2.735 7.057 1.00 0.00 C ATOM 694 CG ASN A 113 -9.700 -3.294 7.351 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.212 -3.206 8.459 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.248 -3.940 6.383 1.00 0.00 N ATOM 0 H ASN A 113 -9.006 -0.122 6.931 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.046 -1.944 9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.331 -2.375 6.028 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.613 -3.541 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.145 -4.405 6.523 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.785 -3.987 5.475 1.00 0.00 H new ATOM 703 N ALA A 114 -5.628 -2.218 7.966 1.00 0.00 N ATOM 704 CA ALA A 114 -4.231 -2.041 7.745 1.00 0.00 C ATOM 705 C ALA A 114 -3.628 -3.323 7.244 1.00 0.00 C ATOM 706 O ALA A 114 -3.921 -4.397 7.782 1.00 0.00 O ATOM 707 CB ALA A 114 -3.548 -1.592 9.026 1.00 0.00 C ATOM 0 H ALA A 114 -5.879 -3.121 8.368 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.084 -1.268 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.482 -1.461 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.979 -0.647 9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.693 -2.346 9.799 1.00 0.00 H new ATOM 713 N GLU A 115 -2.829 -3.234 6.217 1.00 0.00 N ATOM 714 CA GLU A 115 -2.156 -4.392 5.705 1.00 0.00 C ATOM 715 C GLU A 115 -0.733 -4.031 5.364 1.00 0.00 C ATOM 716 O GLU A 115 -0.414 -2.844 5.178 1.00 0.00 O ATOM 717 CB GLU A 115 -2.864 -5.008 4.475 1.00 0.00 C ATOM 718 CG GLU A 115 -2.817 -4.210 3.183 1.00 0.00 C ATOM 719 CD GLU A 115 -3.167 -5.086 1.990 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.361 -5.234 1.651 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.239 -5.682 1.404 1.00 0.00 O ATOM 0 H GLU A 115 -2.628 -2.368 5.718 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.176 -5.154 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.424 -5.987 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.910 -5.174 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.514 -3.374 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.822 -3.787 3.049 1.00 0.00 H new ATOM 728 N VAL A 116 0.120 -5.017 5.325 1.00 0.00 N ATOM 729 CA VAL A 116 1.482 -4.815 4.929 1.00 0.00 C ATOM 730 C VAL A 116 1.589 -5.201 3.476 1.00 0.00 C ATOM 731 O VAL A 116 1.477 -6.378 3.122 1.00 0.00 O ATOM 732 CB VAL A 116 2.472 -5.656 5.774 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.908 -5.405 5.331 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.316 -5.336 7.249 1.00 0.00 C ATOM 0 H VAL A 116 -0.111 -5.981 5.567 1.00 0.00 H new ATOM 0 HA VAL A 116 1.750 -3.770 5.087 1.00 0.00 H new ATOM 0 HB VAL A 116 2.242 -6.710 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.586 -6.005 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.019 -5.681 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.148 -4.349 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.019 -5.935 7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.519 -4.278 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.298 -5.564 7.565 1.00 0.00 H new ATOM 744 N THR A 117 1.782 -4.240 2.658 1.00 0.00 N ATOM 745 CA THR A 117 1.809 -4.450 1.240 1.00 0.00 C ATOM 746 C THR A 117 3.112 -3.878 0.670 1.00 0.00 C ATOM 747 O THR A 117 3.623 -2.878 1.180 1.00 0.00 O ATOM 748 CB THR A 117 0.540 -3.827 0.553 1.00 0.00 C ATOM 749 OG1 THR A 117 0.452 -4.218 -0.826 1.00 0.00 O ATOM 750 CG2 THR A 117 0.548 -2.315 0.647 1.00 0.00 C ATOM 0 H THR A 117 1.928 -3.272 2.943 1.00 0.00 H new ATOM 0 HA THR A 117 1.781 -5.519 1.030 1.00 0.00 H new ATOM 0 HB THR A 117 -0.330 -4.209 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.347 -3.818 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.343 -1.916 0.162 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.556 -2.016 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.437 -1.924 0.151 1.00 0.00 H new ATOM 758 N PRO A 118 3.732 -4.560 -0.301 1.00 0.00 N ATOM 759 CA PRO A 118 4.967 -4.096 -0.914 1.00 0.00 C ATOM 760 C PRO A 118 4.781 -2.750 -1.601 1.00 0.00 C ATOM 761 O PRO A 118 3.707 -2.460 -2.136 1.00 0.00 O ATOM 762 CB PRO A 118 5.291 -5.180 -1.945 1.00 0.00 C ATOM 763 CG PRO A 118 4.001 -5.852 -2.199 1.00 0.00 C ATOM 764 CD PRO A 118 3.258 -5.805 -0.906 1.00 0.00 C ATOM 0 HA PRO A 118 5.759 -3.947 -0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.699 -4.748 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.034 -5.880 -1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.445 -5.346 -2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.153 -6.881 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.179 -5.794 -1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.482 -6.669 -0.280 1.00 0.00 H new ATOM 772 N LEU A 119 5.828 -1.945 -1.597 1.00 0.00 N ATOM 773 CA LEU A 119 5.835 -0.616 -2.221 1.00 0.00 C ATOM 774 C LEU A 119 5.457 -0.697 -3.693 1.00 0.00 C ATOM 775 O LEU A 119 4.914 0.241 -4.256 1.00 0.00 O ATOM 776 CB LEU A 119 7.213 0.043 -2.069 1.00 0.00 C ATOM 777 CG LEU A 119 7.731 0.212 -0.633 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.076 0.916 -0.614 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.733 0.947 0.241 1.00 0.00 C ATOM 0 H LEU A 119 6.714 -2.191 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 119 5.091 -0.005 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.939 -0.548 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.176 1.027 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 119 7.862 -0.788 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.417 1.021 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.801 0.330 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.977 1.903 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.136 1.047 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.546 1.937 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.799 0.386 0.278 1.00 0.00 H new ATOM 791 N LEU A 120 5.728 -1.842 -4.293 1.00 0.00 N ATOM 792 CA LEU A 120 5.393 -2.102 -5.691 1.00 0.00 C ATOM 793 C LEU A 120 3.869 -2.051 -5.905 1.00 0.00 C ATOM 794 O LEU A 120 3.384 -1.703 -6.989 1.00 0.00 O ATOM 795 CB LEU A 120 5.981 -3.465 -6.116 1.00 0.00 C ATOM 796 CG LEU A 120 5.238 -4.737 -5.664 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.195 -5.124 -6.693 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.206 -5.878 -5.411 1.00 0.00 C ATOM 0 H LEU A 120 6.188 -2.624 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 120 5.832 -1.326 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.041 -3.480 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.003 -3.522 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 120 4.733 -4.524 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.676 -6.024 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.477 -4.312 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.681 -5.315 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.652 -6.761 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.752 -6.102 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.910 -5.591 -4.630 1.00 0.00 H new ATOM 810 N ASN A 121 3.142 -2.376 -4.861 1.00 0.00 N ATOM 811 CA ASN A 121 1.683 -2.423 -4.878 1.00 0.00 C ATOM 812 C ASN A 121 1.080 -1.088 -4.532 1.00 0.00 C ATOM 813 O ASN A 121 -0.137 -0.922 -4.575 1.00 0.00 O ATOM 814 CB ASN A 121 1.148 -3.499 -3.912 1.00 0.00 C ATOM 815 CG ASN A 121 1.116 -4.887 -4.493 1.00 0.00 C ATOM 816 OD1 ASN A 121 0.977 -5.065 -5.692 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.178 -5.879 -3.647 1.00 0.00 N ATOM 0 H ASN A 121 3.547 -2.621 -3.957 1.00 0.00 H new ATOM 0 HA ASN A 121 1.388 -2.682 -5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.767 -3.507 -3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.140 -3.224 -3.601 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.110 -6.840 -3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.295 -5.693 -2.651 1.00 0.00 H new ATOM 824 N LEU A 122 1.919 -0.142 -4.184 1.00 0.00 N ATOM 825 CA LEU A 122 1.452 1.166 -3.837 1.00 0.00 C ATOM 826 C LEU A 122 1.510 2.083 -5.029 1.00 0.00 C ATOM 827 O LEU A 122 2.514 2.146 -5.732 1.00 0.00 O ATOM 828 CB LEU A 122 2.270 1.732 -2.687 1.00 0.00 C ATOM 829 CG LEU A 122 2.181 0.975 -1.377 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.014 1.665 -0.317 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.738 0.859 -0.929 1.00 0.00 C ATOM 0 H LEU A 122 2.931 -0.261 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 122 0.413 1.088 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.315 1.768 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.953 2.760 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 122 2.574 -0.030 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.942 1.112 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.055 1.701 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.645 2.680 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.692 0.313 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.319 1.856 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.164 0.325 -1.686 1.00 0.00 H new ATOM 843 N LYS A 123 0.428 2.759 -5.259 1.00 0.00 N ATOM 844 CA LYS A 123 0.304 3.690 -6.333 1.00 0.00 C ATOM 845 C LYS A 123 0.115 5.075 -5.760 1.00 0.00 C ATOM 846 O LYS A 123 -0.350 5.213 -4.633 1.00 0.00 O ATOM 847 CB LYS A 123 -0.920 3.373 -7.190 1.00 0.00 C ATOM 848 CG LYS A 123 -1.016 1.957 -7.689 1.00 0.00 C ATOM 849 CD LYS A 123 -2.265 1.794 -8.523 1.00 0.00 C ATOM 850 CE LYS A 123 -2.445 0.368 -9.005 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.331 -0.082 -9.861 1.00 0.00 N ATOM 0 H LYS A 123 -0.414 2.675 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 123 1.204 3.629 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.815 3.596 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.923 4.043 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.136 1.710 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.037 1.265 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.134 2.090 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.217 2.464 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.529 -0.296 -8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.380 0.290 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.570 -1.000 -10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.167 0.617 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.470 -0.181 -9.287 1.00 0.00 H new ATOM 865 N PRO A 124 0.481 6.100 -6.505 1.00 0.00 N ATOM 866 CA PRO A 124 0.176 7.485 -6.150 1.00 0.00 C ATOM 867 C PRO A 124 -1.336 7.698 -6.190 1.00 0.00 C ATOM 868 O PRO A 124 -2.035 7.064 -6.996 1.00 0.00 O ATOM 869 CB PRO A 124 0.850 8.308 -7.260 1.00 0.00 C ATOM 870 CG PRO A 124 1.786 7.371 -7.943 1.00 0.00 C ATOM 871 CD PRO A 124 1.241 5.992 -7.735 1.00 0.00 C ATOM 0 HA PRO A 124 0.521 7.759 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.112 8.703 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.385 9.162 -6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 124 1.859 7.602 -9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.791 7.457 -7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.611 5.682 -8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.040 5.256 -7.648 1.00 0.00 H new