USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 556 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 63 GLN : amide:sc= -8.7! C(o=-12!,f=-13!) USER MOD Set 1.2: A 67 GLN : amide:sc= -3.22! C(o=-12!,f=-12!) USER MOD Set 2.1: A 11 SER OG : rot 20:sc= 0.81 USER MOD Set 2.2: A 15 THR OG1 : rot 43:sc= 0.995 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 94:sc= 0.816 USER MOD Single : A 21 SER OG : rot -50:sc= 1.26 USER MOD Single : A 22 SER OG : rot -36:sc= 0.17 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 37 SER OG : rot -45:sc= 0.581! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.17 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.0681 (180deg=-0.694) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -4.467 6.551 -0.866 1.00 0.00 N ATOM 55 CA PRO A 4 -5.209 6.810 0.406 1.00 0.00 C ATOM 56 C PRO A 4 -4.705 8.075 1.097 1.00 0.00 C ATOM 57 O PRO A 4 -4.108 8.008 2.170 1.00 0.00 O ATOM 58 CB PRO A 4 -4.910 5.561 1.244 1.00 0.00 C ATOM 59 CG PRO A 4 -3.551 5.134 0.800 1.00 0.00 C ATOM 60 CD PRO A 4 -3.477 5.463 -0.695 1.00 0.00 C ATOM 0 HA PRO A 4 -6.275 6.976 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.928 5.784 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.649 4.779 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.775 5.661 1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.400 4.069 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.476 5.783 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.725 4.597 -1.308 1.00 0.00 H new ATOM 68 N LYS A 5 -4.950 9.226 0.483 1.00 0.00 N ATOM 69 CA LYS A 5 -4.519 10.495 1.053 1.00 0.00 C ATOM 70 C LYS A 5 -5.440 10.960 2.182 1.00 0.00 C ATOM 71 O LYS A 5 -5.002 11.239 3.293 1.00 0.00 O ATOM 72 CB LYS A 5 -4.511 11.555 -0.055 1.00 0.00 C ATOM 73 CG LYS A 5 -4.016 12.897 0.497 1.00 0.00 C ATOM 74 CD LYS A 5 -3.971 13.925 -0.634 1.00 0.00 C ATOM 75 CE LYS A 5 -3.485 15.268 -0.087 1.00 0.00 C ATOM 76 NZ LYS A 5 -3.430 16.264 -1.194 1.00 0.00 N ATOM 0 H LYS A 5 -5.443 9.306 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.522 10.357 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.868 11.231 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.514 11.670 -0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.678 13.242 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.025 12.779 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.305 13.581 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.961 14.038 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.156 15.617 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.499 15.154 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.100 17.178 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.773 15.931 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.379 16.380 -1.604 1.00 0.00 H new ATOM 90 N THR A 6 -6.733 10.972 1.860 1.00 0.00 N ATOM 91 CA THR A 6 -7.806 11.329 2.795 1.00 0.00 C ATOM 92 C THR A 6 -8.163 10.142 3.693 1.00 0.00 C ATOM 93 O THR A 6 -8.550 10.291 4.852 1.00 0.00 O ATOM 94 CB THR A 6 -9.047 11.774 2.018 1.00 0.00 C ATOM 95 OG1 THR A 6 -10.046 12.204 2.932 1.00 0.00 O ATOM 96 CG2 THR A 6 -9.578 10.606 1.187 1.00 0.00 C ATOM 0 H THR A 6 -7.072 10.731 0.929 1.00 0.00 H new ATOM 0 HA THR A 6 -7.454 12.148 3.423 1.00 0.00 H new ATOM 0 HB THR A 6 -8.785 12.597 1.353 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.841 12.491 2.436 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.462 10.925 0.634 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.810 10.279 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.841 9.780 1.847 1.00 0.00 H new ATOM 104 N LEU A 7 -7.980 8.971 3.115 1.00 0.00 N ATOM 105 CA LEU A 7 -8.235 7.727 3.841 1.00 0.00 C ATOM 106 C LEU A 7 -7.265 7.625 5.029 1.00 0.00 C ATOM 107 O LEU A 7 -7.659 7.293 6.147 1.00 0.00 O ATOM 108 CB LEU A 7 -8.074 6.510 2.919 1.00 0.00 C ATOM 109 CG LEU A 7 -9.188 6.495 1.855 1.00 0.00 C ATOM 110 CD1 LEU A 7 -8.938 5.346 0.863 1.00 0.00 C ATOM 111 CD2 LEU A 7 -10.569 6.312 2.522 1.00 0.00 C ATOM 0 H LEU A 7 -7.659 8.847 2.155 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.262 7.737 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.098 6.539 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.110 5.593 3.507 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.179 7.447 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.727 5.337 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.974 5.489 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.936 4.397 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.345 6.304 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.587 5.369 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.751 7.135 3.214 1.00 0.00 H new ATOM 123 N LEU A 8 -6.007 7.961 4.765 1.00 0.00 N ATOM 124 CA LEU A 8 -4.910 7.986 5.744 1.00 0.00 C ATOM 125 C LEU A 8 -4.952 9.234 6.645 1.00 0.00 C ATOM 126 O LEU A 8 -4.427 9.252 7.759 1.00 0.00 O ATOM 127 CB LEU A 8 -3.573 7.967 4.992 1.00 0.00 C ATOM 128 CG LEU A 8 -2.401 7.789 5.971 1.00 0.00 C ATOM 129 CD1 LEU A 8 -2.478 6.413 6.661 1.00 0.00 C ATOM 130 CD2 LEU A 8 -1.085 7.908 5.194 1.00 0.00 C ATOM 0 H LEU A 8 -5.705 8.235 3.830 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.020 7.110 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.571 7.156 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.450 8.896 4.435 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.452 8.561 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.641 6.304 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.415 6.335 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.433 5.626 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.246 7.783 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.045 7.136 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.027 8.890 4.724 1.00 0.00 H new ATOM 142 N ARG A 9 -5.602 10.260 6.112 1.00 0.00 N ATOM 143 CA ARG A 9 -5.760 11.544 6.809 1.00 0.00 C ATOM 144 C ARG A 9 -6.657 11.417 8.039 1.00 0.00 C ATOM 145 O ARG A 9 -6.473 12.128 9.027 1.00 0.00 O ATOM 146 CB ARG A 9 -6.363 12.592 5.874 1.00 0.00 C ATOM 147 CG ARG A 9 -6.260 13.994 6.502 1.00 0.00 C ATOM 148 CD ARG A 9 -4.807 14.510 6.467 1.00 0.00 C ATOM 149 NE ARG A 9 -4.093 14.112 7.674 1.00 0.00 N ATOM 150 CZ ARG A 9 -2.778 14.270 7.771 1.00 0.00 C ATOM 151 NH1 ARG A 9 -2.102 14.748 6.762 1.00 0.00 N ATOM 152 NH2 ARG A 9 -2.161 13.948 8.875 1.00 0.00 N ATOM 0 H ARG A 9 -6.035 10.233 5.189 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.765 11.853 7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.843 12.576 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.407 12.352 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.908 14.686 5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.613 13.962 7.533 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.296 14.115 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.803 15.596 6.377 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.610 13.707 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.584 15.000 5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.092 14.869 6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.689 13.575 9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.151 14.070 8.949 1.00 0.00 H new ATOM 166 N VAL A 10 -7.630 10.515 7.970 1.00 0.00 N ATOM 167 CA VAL A 10 -8.564 10.294 9.072 1.00 0.00 C ATOM 168 C VAL A 10 -7.899 9.650 10.288 1.00 0.00 C ATOM 169 O VAL A 10 -8.198 10.047 11.415 1.00 0.00 O ATOM 170 CB VAL A 10 -9.737 9.431 8.591 1.00 0.00 C ATOM 171 CG1 VAL A 10 -10.626 9.044 9.777 1.00 0.00 C ATOM 172 CG2 VAL A 10 -10.564 10.223 7.576 1.00 0.00 C ATOM 0 H VAL A 10 -7.794 9.921 7.157 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.927 11.271 9.391 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.347 8.525 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.456 8.431 9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.040 8.479 10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.016 9.946 10.249 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.399 9.613 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.946 11.129 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.937 10.492 6.726 1.00 0.00 H new ATOM 182 N SER A 11 -7.010 8.680 10.109 1.00 0.00 N ATOM 183 CA SER A 11 -6.374 8.074 11.274 1.00 0.00 C ATOM 184 C SER A 11 -5.528 9.097 12.032 1.00 0.00 C ATOM 185 O SER A 11 -5.681 9.237 13.215 1.00 0.00 O ATOM 186 CB SER A 11 -5.499 6.901 10.829 1.00 0.00 C ATOM 187 OG SER A 11 -4.884 6.307 11.964 1.00 0.00 O ATOM 0 H SER A 11 -6.721 8.307 9.205 1.00 0.00 H new ATOM 0 HA SER A 11 -7.154 7.715 11.945 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.104 6.163 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.738 7.247 10.130 1.00 0.00 H new ATOM 0 HG SER A 11 -5.384 6.550 12.771 1.00 0.00 H new ATOM 193 N ILE A 12 -4.635 9.784 11.363 1.00 0.00 N ATOM 194 CA ILE A 12 -3.765 10.742 12.070 1.00 0.00 C ATOM 195 C ILE A 12 -4.604 11.774 12.849 1.00 0.00 C ATOM 196 O ILE A 12 -4.377 12.068 14.020 1.00 0.00 O ATOM 197 CB ILE A 12 -2.895 11.475 11.043 1.00 0.00 C ATOM 198 CG1 ILE A 12 -1.905 10.482 10.426 1.00 0.00 C ATOM 199 CG2 ILE A 12 -2.119 12.604 11.730 1.00 0.00 C ATOM 200 CD1 ILE A 12 -1.220 11.123 9.217 1.00 0.00 C ATOM 0 H ILE A 12 -4.479 9.715 10.357 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.142 10.195 12.778 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.531 11.899 10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.160 10.189 11.166 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.427 9.574 10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.502 13.121 10.995 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.821 13.309 12.176 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.481 12.186 12.509 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.516 10.415 8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.971 11.394 8.475 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.684 12.018 9.534 1.00 0.00 H new ATOM 212 N ILE A 13 -5.579 12.267 12.134 1.00 0.00 N ATOM 213 CA ILE A 13 -6.521 13.253 12.678 1.00 0.00 C ATOM 214 C ILE A 13 -7.262 12.683 13.920 1.00 0.00 C ATOM 215 O ILE A 13 -7.378 13.358 14.943 1.00 0.00 O ATOM 216 CB ILE A 13 -7.537 13.685 11.604 1.00 0.00 C ATOM 217 CG1 ILE A 13 -6.841 14.507 10.495 1.00 0.00 C ATOM 218 CG2 ILE A 13 -8.647 14.523 12.249 1.00 0.00 C ATOM 219 CD1 ILE A 13 -6.598 15.967 10.925 1.00 0.00 C ATOM 0 H ILE A 13 -5.756 12.010 11.163 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.950 14.128 12.988 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.969 12.791 11.155 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.889 14.041 10.241 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.454 14.492 9.594 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.364 14.827 11.486 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.156 13.930 13.009 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.212 15.409 12.711 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.107 16.508 10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.552 16.443 11.153 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.963 15.985 11.811 1.00 0.00 H new ATOM 231 N GLY A 14 -7.679 11.423 13.842 1.00 0.00 N ATOM 232 CA GLY A 14 -8.318 10.751 15.004 1.00 0.00 C ATOM 233 C GLY A 14 -7.242 10.193 15.972 1.00 0.00 C ATOM 234 O GLY A 14 -7.274 10.381 17.188 1.00 0.00 O ATOM 0 H GLY A 14 -7.595 10.842 13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.959 11.457 15.532 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.957 9.940 14.655 1.00 0.00 H new ATOM 238 N THR A 15 -6.341 9.468 15.343 1.00 0.00 N ATOM 239 CA THR A 15 -5.221 8.766 16.002 1.00 0.00 C ATOM 240 C THR A 15 -4.335 9.711 16.812 1.00 0.00 C ATOM 241 O THR A 15 -3.728 9.294 17.799 1.00 0.00 O ATOM 242 CB THR A 15 -4.341 8.010 15.002 1.00 0.00 C ATOM 243 OG1 THR A 15 -5.151 7.157 14.209 1.00 0.00 O ATOM 244 CG2 THR A 15 -3.313 7.168 15.761 1.00 0.00 C ATOM 0 H THR A 15 -6.354 9.337 14.332 1.00 0.00 H new ATOM 0 HA THR A 15 -5.692 8.053 16.678 1.00 0.00 H new ATOM 0 HB THR A 15 -3.826 8.725 14.361 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.961 7.636 13.936 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.687 6.630 15.049 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.689 7.820 16.373 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.830 6.454 16.402 1.00 0.00 H new ATOM 252 N THR A 16 -4.268 10.979 16.421 1.00 0.00 N ATOM 253 CA THR A 16 -3.464 11.961 17.147 1.00 0.00 C ATOM 254 C THR A 16 -4.148 12.417 18.432 1.00 0.00 C ATOM 255 O THR A 16 -3.487 12.769 19.409 1.00 0.00 O ATOM 256 CB THR A 16 -3.171 13.174 16.259 1.00 0.00 C ATOM 257 OG1 THR A 16 -2.425 12.758 15.124 1.00 0.00 O ATOM 258 CG2 THR A 16 -2.365 14.204 17.051 1.00 0.00 C ATOM 0 H THR A 16 -4.758 11.352 15.608 1.00 0.00 H new ATOM 0 HA THR A 16 -2.527 11.474 17.419 1.00 0.00 H new ATOM 0 HB THR A 16 -4.110 13.622 15.933 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.036 12.577 14.380 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.157 15.067 16.419 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.937 14.522 17.922 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.425 13.758 17.377 1.00 0.00 H new ATOM 266 N LEU A 17 -5.474 12.455 18.403 1.00 0.00 N ATOM 267 CA LEU A 17 -6.293 12.918 19.519 1.00 0.00 C ATOM 268 C LEU A 17 -6.392 11.955 20.700 1.00 0.00 C ATOM 269 O LEU A 17 -6.680 12.406 21.809 1.00 0.00 O ATOM 270 CB LEU A 17 -7.705 13.236 19.018 1.00 0.00 C ATOM 271 CG LEU A 17 -7.659 14.357 17.967 1.00 0.00 C ATOM 272 CD1 LEU A 17 -9.070 14.578 17.408 1.00 0.00 C ATOM 273 CD2 LEU A 17 -7.143 15.665 18.599 1.00 0.00 C ATOM 0 H LEU A 17 -6.020 12.161 17.593 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.784 13.803 19.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.155 12.342 18.586 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.335 13.538 19.854 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.981 14.067 17.164 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.045 15.372 16.662 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.427 13.657 16.947 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.742 14.862 18.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.116 16.449 17.842 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.808 15.965 19.409 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.139 15.507 18.994 1.00 0.00 H new ATOM 285 N VAL A 18 -6.212 10.649 20.518 1.00 0.00 N ATOM 286 CA VAL A 18 -6.370 9.768 21.670 1.00 0.00 C ATOM 287 C VAL A 18 -5.341 10.122 22.743 1.00 0.00 C ATOM 288 O VAL A 18 -5.674 10.364 23.903 1.00 0.00 O ATOM 289 CB VAL A 18 -6.210 8.302 21.240 1.00 0.00 C ATOM 290 CG1 VAL A 18 -7.322 7.938 20.247 1.00 0.00 C ATOM 291 CG2 VAL A 18 -4.839 8.090 20.573 1.00 0.00 C ATOM 0 H VAL A 18 -5.970 10.197 19.636 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.369 9.902 22.085 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.278 7.664 22.121 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.210 6.898 19.941 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.293 8.074 20.723 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.253 8.584 19.371 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.738 7.047 20.273 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.759 8.730 19.694 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.048 8.343 21.279 1.00 0.00 H new ATOM 301 N ALA A 19 -4.080 10.107 22.323 1.00 0.00 N ATOM 302 CA ALA A 19 -2.946 10.381 23.200 1.00 0.00 C ATOM 303 C ALA A 19 -3.050 11.753 23.860 1.00 0.00 C ATOM 304 O ALA A 19 -2.611 11.940 24.994 1.00 0.00 O ATOM 305 CB ALA A 19 -1.647 10.308 22.398 1.00 0.00 C ATOM 0 H ALA A 19 -3.814 9.903 21.360 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.951 9.627 23.987 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.802 10.513 23.055 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.540 9.312 21.969 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.672 11.047 21.597 1.00 0.00 H new ATOM 311 N LEU A 20 -3.653 12.704 23.164 1.00 0.00 N ATOM 312 CA LEU A 20 -3.821 14.032 23.738 1.00 0.00 C ATOM 313 C LEU A 20 -4.760 13.950 24.942 1.00 0.00 C ATOM 314 O LEU A 20 -4.492 14.550 25.983 1.00 0.00 O ATOM 315 CB LEU A 20 -4.345 15.025 22.691 1.00 0.00 C ATOM 316 CG LEU A 20 -4.518 16.419 23.313 1.00 0.00 C ATOM 317 CD1 LEU A 20 -3.171 16.937 23.849 1.00 0.00 C ATOM 318 CD2 LEU A 20 -5.046 17.379 22.239 1.00 0.00 C ATOM 0 H LEU A 20 -4.027 12.588 22.222 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.851 14.400 24.071 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.651 15.078 21.852 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.299 14.676 22.295 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.223 16.359 24.142 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.310 17.926 24.287 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.795 16.253 24.610 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.454 17.000 23.031 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.173 18.372 22.669 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.335 17.429 21.414 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.006 17.019 21.869 1.00 0.00 H new ATOM 330 N SER A 21 -5.846 13.195 24.809 1.00 0.00 N ATOM 331 CA SER A 21 -6.787 13.040 25.916 1.00 0.00 C ATOM 332 C SER A 21 -6.221 12.090 26.974 1.00 0.00 C ATOM 333 O SER A 21 -6.712 12.023 28.089 1.00 0.00 O ATOM 334 CB SER A 21 -8.118 12.494 25.397 1.00 0.00 C ATOM 335 OG SER A 21 -7.940 11.150 24.969 1.00 0.00 O ATOM 0 H SER A 21 -6.095 12.687 23.960 1.00 0.00 H new ATOM 0 HA SER A 21 -6.948 14.017 26.371 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.874 12.541 26.181 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.478 13.106 24.570 1.00 0.00 H new ATOM 0 HG SER A 21 -7.170 11.098 24.366 1.00 0.00 H new ATOM 341 N SER A 22 -5.222 11.318 26.575 1.00 0.00 N ATOM 342 CA SER A 22 -4.614 10.331 27.475 1.00 0.00 C ATOM 343 C SER A 22 -3.674 10.992 28.497 1.00 0.00 C ATOM 344 O SER A 22 -3.292 10.391 29.501 1.00 0.00 O ATOM 345 CB SER A 22 -3.789 9.339 26.656 1.00 0.00 C ATOM 346 OG SER A 22 -2.580 9.958 26.246 1.00 0.00 O ATOM 0 H SER A 22 -4.812 11.350 25.641 1.00 0.00 H new ATOM 0 HA SER A 22 -5.424 9.833 28.008 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.573 8.451 27.250 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.356 9.010 25.785 1.00 0.00 H new ATOM 0 HG SER A 22 -2.748 10.902 26.043 1.00 0.00 H new ATOM 352 N PHE A 23 -3.318 12.246 28.204 1.00 0.00 N ATOM 353 CA PHE A 23 -2.415 12.996 29.103 1.00 0.00 C ATOM 354 C PHE A 23 -3.154 13.684 30.278 1.00 0.00 C ATOM 355 O PHE A 23 -2.613 13.698 31.384 1.00 0.00 O ATOM 356 CB PHE A 23 -1.575 14.014 28.293 1.00 0.00 C ATOM 357 CG PHE A 23 -0.171 13.470 28.060 1.00 0.00 C ATOM 358 CD1 PHE A 23 0.005 12.260 27.379 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.942 14.173 28.537 1.00 0.00 C ATOM 360 CE1 PHE A 23 1.293 11.752 27.174 1.00 0.00 C ATOM 361 CE2 PHE A 23 2.231 13.665 28.332 1.00 0.00 C ATOM 362 CZ PHE A 23 2.407 12.455 27.650 1.00 0.00 C ATOM 0 H PHE A 23 -3.627 12.758 27.378 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.746 12.267 29.560 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.058 14.216 27.337 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.522 14.961 28.830 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.854 11.718 27.011 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.807 15.107 29.063 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.428 10.818 26.649 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.090 14.207 28.700 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.401 12.064 27.491 1.00 0.00 H new ATOM 372 N THR A 24 -4.328 14.297 30.086 1.00 0.00 N ATOM 373 CA THR A 24 -4.989 15.000 31.204 1.00 0.00 C ATOM 374 C THR A 24 -5.503 14.068 32.322 1.00 0.00 C ATOM 375 O THR A 24 -5.457 14.424 33.500 1.00 0.00 O ATOM 376 CB THR A 24 -6.160 15.846 30.656 1.00 0.00 C ATOM 377 OG1 THR A 24 -5.885 16.203 29.310 1.00 0.00 O ATOM 378 CG2 THR A 24 -6.327 17.126 31.486 1.00 0.00 C ATOM 0 H THR A 24 -4.831 14.325 29.199 1.00 0.00 H new ATOM 0 HA THR A 24 -4.227 15.630 31.663 1.00 0.00 H new ATOM 0 HB THR A 24 -7.077 15.260 30.713 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.625 16.739 28.956 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.156 17.712 31.088 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.534 16.863 32.523 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.410 17.714 31.437 1.00 0.00 H new ATOM 386 N PRO A 25 -6.032 12.923 31.976 1.00 0.00 N ATOM 387 CA PRO A 25 -6.624 11.949 32.948 1.00 0.00 C ATOM 388 C PRO A 25 -5.773 11.680 34.184 1.00 0.00 C ATOM 389 O PRO A 25 -6.314 11.300 35.215 1.00 0.00 O ATOM 390 CB PRO A 25 -6.799 10.685 32.108 1.00 0.00 C ATOM 391 CG PRO A 25 -7.065 11.207 30.742 1.00 0.00 C ATOM 392 CD PRO A 25 -6.148 12.420 30.602 1.00 0.00 C ATOM 0 HA PRO A 25 -7.548 12.339 33.375 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.906 10.061 32.132 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.625 10.073 32.471 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.847 10.456 29.982 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.112 11.487 30.622 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.176 12.143 30.193 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.573 13.170 29.935 1.00 0.00 H new ATOM 400 N VAL A 26 -4.467 11.894 34.126 1.00 0.00 N ATOM 401 CA VAL A 26 -3.651 11.674 35.315 1.00 0.00 C ATOM 402 C VAL A 26 -4.147 12.571 36.453 1.00 0.00 C ATOM 403 O VAL A 26 -4.202 12.146 37.608 1.00 0.00 O ATOM 404 CB VAL A 26 -2.184 11.984 35.010 1.00 0.00 C ATOM 405 CG1 VAL A 26 -2.020 13.484 34.754 1.00 0.00 C ATOM 406 CG2 VAL A 26 -1.316 11.572 36.202 1.00 0.00 C ATOM 0 H VAL A 26 -3.961 12.209 33.299 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.735 10.630 35.617 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.873 11.429 34.125 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.975 13.704 34.537 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.637 13.778 33.905 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.332 14.040 35.638 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.271 11.793 35.985 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.627 12.126 37.088 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.431 10.503 36.384 1.00 0.00 H new ATOM 416 N LEU A 27 -4.462 13.820 36.130 1.00 0.00 N ATOM 417 CA LEU A 27 -4.902 14.805 37.120 1.00 0.00 C ATOM 418 C LEU A 27 -6.025 14.286 38.025 1.00 0.00 C ATOM 419 O LEU A 27 -6.172 14.740 39.159 1.00 0.00 O ATOM 420 CB LEU A 27 -5.401 16.051 36.375 1.00 0.00 C ATOM 421 CG LEU A 27 -5.844 17.143 37.363 1.00 0.00 C ATOM 422 CD1 LEU A 27 -4.664 17.566 38.253 1.00 0.00 C ATOM 423 CD2 LEU A 27 -6.346 18.354 36.567 1.00 0.00 C ATOM 0 H LEU A 27 -4.421 14.181 35.177 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.050 15.030 37.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.609 16.436 35.732 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.235 15.782 35.727 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.640 16.756 37.999 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.991 18.340 38.948 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.304 16.704 38.814 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.859 17.955 37.629 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.664 19.136 37.256 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.543 18.732 35.934 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.189 18.056 35.944 1.00 0.00 H new ATOM 435 N VAL A 28 -6.829 13.356 37.517 1.00 0.00 N ATOM 436 CA VAL A 28 -7.947 12.807 38.285 1.00 0.00 C ATOM 437 C VAL A 28 -7.453 11.910 39.419 1.00 0.00 C ATOM 438 O VAL A 28 -8.099 11.783 40.459 1.00 0.00 O ATOM 439 CB VAL A 28 -8.894 12.014 37.361 1.00 0.00 C ATOM 440 CG1 VAL A 28 -9.051 12.772 36.039 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.354 10.588 37.099 1.00 0.00 C ATOM 0 H VAL A 28 -6.729 12.966 36.580 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.492 13.643 38.724 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.864 11.916 37.849 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.719 12.218 35.379 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.469 13.760 36.233 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.076 12.878 35.562 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.042 10.053 36.445 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.376 10.651 36.623 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.263 10.054 38.045 1.00 0.00 H new ATOM 451 N ILE A 29 -6.298 11.293 39.197 1.00 0.00 N ATOM 452 CA ILE A 29 -5.699 10.405 40.184 1.00 0.00 C ATOM 453 C ILE A 29 -5.396 11.154 41.478 1.00 0.00 C ATOM 454 O ILE A 29 -5.649 10.628 42.560 1.00 0.00 O ATOM 455 CB ILE A 29 -4.408 9.796 39.624 1.00 0.00 C ATOM 456 CG1 ILE A 29 -4.722 8.927 38.391 1.00 0.00 C ATOM 457 CG2 ILE A 29 -3.720 8.945 40.697 1.00 0.00 C ATOM 458 CD1 ILE A 29 -5.718 7.806 38.732 1.00 0.00 C ATOM 0 H ILE A 29 -5.757 11.393 38.338 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.411 9.609 40.404 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.740 10.604 39.327 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.133 9.552 37.599 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.800 8.491 38.007 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.804 8.517 40.290 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.478 9.570 41.557 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.388 8.142 41.009 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.917 7.212 37.840 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.295 7.166 39.506 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.649 8.244 39.092 1.00 0.00 H new ATOM 470 N LEU A 30 -4.855 12.366 41.395 1.00 0.00 N ATOM 471 CA LEU A 30 -4.540 13.102 42.616 1.00 0.00 C ATOM 472 C LEU A 30 -5.782 13.238 43.496 1.00 0.00 C ATOM 473 O LEU A 30 -5.721 12.929 44.685 1.00 0.00 O ATOM 474 CB LEU A 30 -3.997 14.497 42.264 1.00 0.00 C ATOM 475 CG LEU A 30 -2.502 14.418 41.908 1.00 0.00 C ATOM 476 CD1 LEU A 30 -1.657 14.072 43.152 1.00 0.00 C ATOM 477 CD2 LEU A 30 -2.293 13.355 40.822 1.00 0.00 C ATOM 0 H LEU A 30 -4.631 12.848 40.524 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.780 12.548 43.167 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.556 14.910 41.424 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.141 15.173 43.107 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.179 15.391 41.538 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.604 14.022 42.874 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.796 14.841 43.912 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.973 13.108 43.550 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.235 13.297 40.568 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.631 12.387 41.191 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.865 13.625 39.934 1.00 0.00 H new ATOM 489 N LEU A 31 -6.896 13.723 42.958 1.00 0.00 N ATOM 490 CA LEU A 31 -8.082 13.896 43.787 1.00 0.00 C ATOM 491 C LEU A 31 -8.444 12.573 44.458 1.00 0.00 C ATOM 492 O LEU A 31 -8.787 12.520 45.639 1.00 0.00 O ATOM 493 CB LEU A 31 -9.259 14.343 42.897 1.00 0.00 C ATOM 494 CG LEU A 31 -9.184 15.854 42.605 1.00 0.00 C ATOM 495 CD1 LEU A 31 -9.458 16.678 43.881 1.00 0.00 C ATOM 496 CD2 LEU A 31 -7.796 16.201 42.049 1.00 0.00 C ATOM 0 H LEU A 31 -7.003 13.996 41.981 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.880 14.647 44.551 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.244 13.786 41.960 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.202 14.110 43.391 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.948 16.103 41.868 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.399 17.741 43.647 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.453 16.444 44.258 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.715 16.432 44.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.744 17.270 41.843 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.034 15.935 42.781 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.624 15.645 41.128 1.00 0.00 H new ATOM 508 N GLY A 32 -8.328 11.508 43.672 1.00 0.00 N ATOM 509 CA GLY A 32 -8.604 10.162 44.162 1.00 0.00 C ATOM 510 C GLY A 32 -7.614 9.795 45.264 1.00 0.00 C ATOM 511 O GLY A 32 -7.993 9.288 46.316 1.00 0.00 O ATOM 0 H GLY A 32 -8.045 11.551 42.693 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.623 10.107 44.544 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.532 9.446 43.343 1.00 0.00 H new ATOM 515 N VAL A 33 -6.347 10.114 45.019 1.00 0.00 N ATOM 516 CA VAL A 33 -5.321 9.861 46.032 1.00 0.00 C ATOM 517 C VAL A 33 -5.764 10.598 47.297 1.00 0.00 C ATOM 518 O VAL A 33 -5.801 10.022 48.385 1.00 0.00 O ATOM 519 CB VAL A 33 -3.948 10.359 45.567 1.00 0.00 C ATOM 520 CG1 VAL A 33 -2.965 10.322 46.742 1.00 0.00 C ATOM 521 CG2 VAL A 33 -3.427 9.450 44.446 1.00 0.00 C ATOM 0 H VAL A 33 -6.009 10.536 44.154 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.218 8.792 46.216 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.041 11.381 45.199 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.989 10.676 46.411 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.331 10.964 47.543 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.875 9.300 47.109 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.451 9.804 44.115 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.336 8.429 44.818 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.124 9.470 43.608 1.00 0.00 H new ATOM 531 N VAL A 34 -6.093 11.877 47.142 1.00 0.00 N ATOM 532 CA VAL A 34 -6.525 12.684 48.281 1.00 0.00 C ATOM 533 C VAL A 34 -7.768 12.043 48.898 1.00 0.00 C ATOM 534 O VAL A 34 -7.920 11.942 50.112 1.00 0.00 O ATOM 535 CB VAL A 34 -6.848 14.108 47.818 1.00 0.00 C ATOM 536 CG1 VAL A 34 -7.509 14.889 48.959 1.00 0.00 C ATOM 537 CG2 VAL A 34 -5.552 14.811 47.404 1.00 0.00 C ATOM 0 H VAL A 34 -6.070 12.373 46.251 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.728 12.730 49.023 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.532 14.065 46.970 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.736 15.901 48.623 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.431 14.389 49.255 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.830 14.933 49.811 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.778 15.825 47.074 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.871 14.849 48.254 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.083 14.260 46.589 1.00 0.00 H new ATOM 547 N GLY A 35 -8.644 11.606 48.009 1.00 0.00 N ATOM 548 CA GLY A 35 -9.880 10.953 48.424 1.00 0.00 C ATOM 549 C GLY A 35 -9.538 9.715 49.250 1.00 0.00 C ATOM 550 O GLY A 35 -10.117 9.472 50.309 1.00 0.00 O ATOM 0 H GLY A 35 -8.526 11.690 46.999 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.490 11.640 49.011 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.468 10.672 47.551 1.00 0.00 H new ATOM 554 N LEU A 36 -8.578 8.948 48.748 1.00 0.00 N ATOM 555 CA LEU A 36 -8.115 7.735 49.415 1.00 0.00 C ATOM 556 C LEU A 36 -7.315 8.092 50.674 1.00 0.00 C ATOM 557 O LEU A 36 -7.335 7.366 51.668 1.00 0.00 O ATOM 558 CB LEU A 36 -7.227 6.914 48.446 1.00 0.00 C ATOM 559 CG LEU A 36 -8.067 5.897 47.651 1.00 0.00 C ATOM 560 CD1 LEU A 36 -8.983 6.624 46.663 1.00 0.00 C ATOM 561 CD2 LEU A 36 -7.130 4.969 46.875 1.00 0.00 C ATOM 0 H LEU A 36 -8.099 9.147 47.870 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.981 7.140 49.706 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.717 7.587 47.757 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.455 6.391 49.010 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.678 5.320 48.345 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.571 5.894 46.107 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.652 7.289 47.209 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.379 7.207 45.968 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.719 4.247 46.310 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.522 5.558 46.188 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.481 4.441 47.573 1.00 0.00 H new ATOM 573 N SER A 37 -6.648 9.244 50.622 1.00 0.00 N ATOM 574 CA SER A 37 -5.886 9.712 51.779 1.00 0.00 C ATOM 575 C SER A 37 -6.860 9.890 52.937 1.00 0.00 C ATOM 576 O SER A 37 -6.542 9.616 54.065 1.00 0.00 O ATOM 577 CB SER A 37 -5.164 11.030 51.488 1.00 0.00 C ATOM 578 OG SER A 37 -6.095 12.100 51.519 1.00 0.00 O ATOM 0 H SER A 37 -6.619 9.860 49.809 1.00 0.00 H new ATOM 0 HA SER A 37 -5.118 8.979 52.026 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.379 11.197 52.225 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.680 10.984 50.512 1.00 0.00 H new ATOM 0 HG SER A 37 -6.901 11.847 51.022 1.00 0.00 H new ATOM 584 N ALA A 38 -8.059 10.320 52.628 1.00 0.00 N ATOM 585 CA ALA A 38 -9.085 10.492 53.660 1.00 0.00 C ATOM 586 C ALA A 38 -9.361 9.151 54.361 1.00 0.00 C ATOM 587 O ALA A 38 -9.585 9.114 55.571 1.00 0.00 O ATOM 588 CB ALA A 38 -10.374 11.046 53.051 1.00 0.00 C ATOM 0 H ALA A 38 -8.359 10.559 51.683 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.718 11.206 54.397 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.123 11.167 53.833 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.172 12.013 52.590 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.746 10.354 52.296 1.00 0.00 H new ATOM 594 N LEU A 39 -9.323 8.067 53.608 1.00 0.00 N ATOM 595 CA LEU A 39 -9.554 6.746 54.213 1.00 0.00 C ATOM 596 C LEU A 39 -8.321 6.277 55.029 1.00 0.00 C ATOM 597 O LEU A 39 -8.444 5.866 56.183 1.00 0.00 O ATOM 598 CB LEU A 39 -9.868 5.720 53.109 1.00 0.00 C ATOM 599 CG LEU A 39 -11.354 5.787 52.714 1.00 0.00 C ATOM 600 CD1 LEU A 39 -12.253 5.256 53.852 1.00 0.00 C ATOM 601 CD2 LEU A 39 -11.726 7.241 52.390 1.00 0.00 C ATOM 0 H LEU A 39 -9.141 8.060 52.604 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.401 6.826 54.895 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.245 5.915 52.236 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.624 4.717 53.457 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.512 5.160 51.837 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.298 5.314 53.547 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.995 4.219 54.066 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.102 5.860 54.747 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.778 7.294 52.110 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.553 7.865 53.267 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.112 7.598 51.563 1.00 0.00 H new ATOM 613 N THR A 40 -7.155 6.318 54.391 1.00 0.00 N ATOM 614 CA THR A 40 -5.892 5.869 55.023 1.00 0.00 C ATOM 615 C THR A 40 -5.085 7.030 55.622 1.00 0.00 C ATOM 616 O THR A 40 -4.015 6.830 56.198 1.00 0.00 O ATOM 617 CB THR A 40 -5.028 5.167 53.971 1.00 0.00 C ATOM 618 OG1 THR A 40 -4.738 6.075 52.917 1.00 0.00 O ATOM 619 CG2 THR A 40 -5.781 3.958 53.413 1.00 0.00 C ATOM 0 H THR A 40 -7.046 6.656 53.435 1.00 0.00 H new ATOM 0 HA THR A 40 -6.159 5.194 55.836 1.00 0.00 H new ATOM 0 HB THR A 40 -4.097 4.832 54.429 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.184 5.628 52.243 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.165 3.459 52.665 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.003 3.262 54.222 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.712 4.290 52.954 1.00 0.00 H new ATOM 627 N GLY A 41 -5.658 8.216 55.557 1.00 0.00 N ATOM 628 CA GLY A 41 -5.041 9.396 56.178 1.00 0.00 C ATOM 629 C GLY A 41 -3.615 9.667 55.713 1.00 0.00 C ATOM 630 O GLY A 41 -2.675 9.507 56.492 1.00 0.00 O ATOM 0 H GLY A 41 -6.544 8.399 55.086 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.655 10.270 55.962 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.041 9.266 57.260 1.00 0.00 H new ATOM 634 N TYR A 42 -3.433 10.094 54.462 1.00 0.00 N ATOM 635 CA TYR A 42 -2.099 10.398 53.942 1.00 0.00 C ATOM 636 C TYR A 42 -1.955 11.914 53.753 1.00 0.00 C ATOM 637 O TYR A 42 -1.101 12.376 52.996 1.00 0.00 O ATOM 638 CB TYR A 42 -1.910 9.670 52.580 1.00 0.00 C ATOM 639 CG TYR A 42 -0.829 8.606 52.688 1.00 0.00 C ATOM 640 CD1 TYR A 42 -0.889 7.651 53.710 1.00 0.00 C ATOM 641 CD2 TYR A 42 0.231 8.587 51.774 1.00 0.00 C ATOM 642 CE1 TYR A 42 0.112 6.679 53.820 1.00 0.00 C ATOM 643 CE2 TYR A 42 1.232 7.615 51.883 1.00 0.00 C ATOM 644 CZ TYR A 42 1.173 6.660 52.906 1.00 0.00 C ATOM 645 OH TYR A 42 2.159 5.701 53.014 1.00 0.00 O ATOM 0 H TYR A 42 -4.189 10.237 53.793 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.339 10.057 54.645 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.850 9.211 52.273 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.641 10.393 51.809 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.708 7.664 54.414 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.276 9.323 50.985 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.066 5.944 54.610 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.050 7.601 51.178 1.00 0.00 H new ATOM 0 HH TYR A 42 2.819 5.829 52.301 1.00 0.00 H new ATOM 655 N LEU A 43 -2.809 12.673 54.433 1.00 0.00 N ATOM 656 CA LEU A 43 -2.810 14.132 54.341 1.00 0.00 C ATOM 657 C LEU A 43 -1.408 14.732 54.437 1.00 0.00 C ATOM 658 O LEU A 43 -0.957 15.452 53.546 1.00 0.00 O ATOM 659 CB LEU A 43 -3.552 14.639 55.585 1.00 0.00 C ATOM 660 CG LEU A 43 -4.996 14.109 55.611 1.00 0.00 C ATOM 661 CD1 LEU A 43 -5.661 14.548 56.920 1.00 0.00 C ATOM 662 CD2 LEU A 43 -5.795 14.664 54.417 1.00 0.00 C ATOM 0 H LEU A 43 -3.518 12.297 55.062 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.254 14.413 53.386 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.026 14.319 56.484 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.559 15.729 55.591 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.981 13.021 55.543 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.686 14.178 56.950 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.104 14.143 57.765 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.667 15.636 56.978 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.814 14.279 54.451 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.816 15.753 54.468 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.321 14.354 53.486 1.00 0.00 H new ATOM 674 N ASP A 44 -0.730 14.412 55.534 1.00 0.00 N ATOM 675 CA ASP A 44 0.628 14.903 55.758 1.00 0.00 C ATOM 676 C ASP A 44 1.577 14.295 54.729 1.00 0.00 C ATOM 677 O ASP A 44 2.483 14.967 54.236 1.00 0.00 O ATOM 678 CB ASP A 44 1.091 14.595 57.181 1.00 0.00 C ATOM 679 CG ASP A 44 2.458 15.219 57.446 1.00 0.00 C ATOM 680 OD1 ASP A 44 3.024 15.781 56.523 1.00 0.00 O ATOM 681 OD2 ASP A 44 2.921 15.117 58.569 1.00 0.00 O ATOM 0 H ASP A 44 -1.095 13.818 56.279 1.00 0.00 H new ATOM 0 HA ASP A 44 0.633 15.986 55.638 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.365 14.979 57.897 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.143 13.516 57.327 1.00 0.00 H new ATOM 686 N TYR A 45 1.379 13.019 54.421 1.00 0.00 N ATOM 687 CA TYR A 45 2.245 12.340 53.464 1.00 0.00 C ATOM 688 C TYR A 45 2.246 13.061 52.112 1.00 0.00 C ATOM 689 O TYR A 45 3.298 13.155 51.490 1.00 0.00 O ATOM 690 CB TYR A 45 1.781 10.888 53.271 1.00 0.00 C ATOM 691 CG TYR A 45 2.282 10.012 54.400 1.00 0.00 C ATOM 692 CD1 TYR A 45 1.558 9.914 55.594 1.00 0.00 C ATOM 693 CD2 TYR A 45 3.463 9.279 54.235 1.00 0.00 C ATOM 694 CE1 TYR A 45 2.014 9.082 56.623 1.00 0.00 C ATOM 695 CE2 TYR A 45 3.920 8.447 55.265 1.00 0.00 C ATOM 696 CZ TYR A 45 3.195 8.349 56.458 1.00 0.00 C ATOM 697 OH TYR A 45 3.645 7.528 57.473 1.00 0.00 O ATOM 0 H TYR A 45 0.637 12.440 54.814 1.00 0.00 H new ATOM 0 HA TYR A 45 3.259 12.350 53.863 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.692 10.851 53.231 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.148 10.507 52.318 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.647 10.481 55.721 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.022 9.355 53.314 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.455 9.006 57.544 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.831 7.881 55.139 1.00 0.00 H new ATOM 0 HH TYR A 45 4.477 7.091 57.196 1.00 0.00 H new ATOM 707 N VAL A 46 1.064 13.520 51.661 1.00 0.00 N ATOM 708 CA VAL A 46 0.896 14.194 50.351 1.00 0.00 C ATOM 709 C VAL A 46 2.222 14.563 49.671 1.00 0.00 C ATOM 710 O VAL A 46 2.406 14.277 48.487 1.00 0.00 O ATOM 711 CB VAL A 46 0.041 15.459 50.540 1.00 0.00 C ATOM 712 CG1 VAL A 46 0.036 16.294 49.252 1.00 0.00 C ATOM 713 CG2 VAL A 46 -1.398 15.054 50.885 1.00 0.00 C ATOM 0 H VAL A 46 0.196 13.436 52.191 1.00 0.00 H new ATOM 0 HA VAL A 46 0.402 13.481 49.691 1.00 0.00 H new ATOM 0 HB VAL A 46 0.464 16.054 51.349 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.573 17.186 49.399 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.056 16.587 49.005 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.379 15.702 48.436 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.006 15.949 51.019 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.811 14.453 50.075 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.401 14.472 51.806 1.00 0.00 H new ATOM 723 N LEU A 47 3.122 15.208 50.387 1.00 0.00 N ATOM 724 CA LEU A 47 4.391 15.612 49.789 1.00 0.00 C ATOM 725 C LEU A 47 5.117 14.412 49.150 1.00 0.00 C ATOM 726 O LEU A 47 5.599 14.494 48.023 1.00 0.00 O ATOM 727 CB LEU A 47 5.294 16.203 50.891 1.00 0.00 C ATOM 728 CG LEU A 47 4.913 17.667 51.183 1.00 0.00 C ATOM 729 CD1 LEU A 47 5.272 18.579 49.988 1.00 0.00 C ATOM 730 CD2 LEU A 47 3.410 17.757 51.474 1.00 0.00 C ATOM 0 H LEU A 47 3.007 15.463 51.368 1.00 0.00 H new ATOM 0 HA LEU A 47 4.186 16.348 49.012 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.201 15.610 51.801 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.337 16.149 50.580 1.00 0.00 H new ATOM 0 HG LEU A 47 5.476 18.006 52.053 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.993 19.607 50.218 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.344 18.527 49.800 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.732 18.247 49.102 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.141 18.793 51.681 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.850 17.402 50.609 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.169 17.140 52.340 1.00 0.00 H new ATOM 742 N LEU A 48 5.201 13.315 49.905 1.00 0.00 N ATOM 743 CA LEU A 48 5.891 12.100 49.435 1.00 0.00 C ATOM 744 C LEU A 48 5.249 11.500 48.158 1.00 0.00 C ATOM 745 O LEU A 48 5.931 11.409 47.137 1.00 0.00 O ATOM 746 CB LEU A 48 6.002 11.063 50.578 1.00 0.00 C ATOM 747 CG LEU A 48 7.361 11.183 51.283 1.00 0.00 C ATOM 748 CD1 LEU A 48 7.498 12.575 51.905 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.455 10.122 52.383 1.00 0.00 C ATOM 0 H LEU A 48 4.804 13.237 50.841 1.00 0.00 H new ATOM 0 HA LEU A 48 6.900 12.390 49.144 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.198 11.218 51.297 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.881 10.057 50.177 1.00 0.00 H new ATOM 0 HG LEU A 48 8.161 11.032 50.558 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.463 12.657 52.404 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.429 13.331 51.123 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.700 12.729 52.631 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.419 10.204 52.886 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.654 10.276 53.106 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.360 9.130 51.941 1.00 0.00 H new ATOM 761 N PRO A 49 3.990 11.117 48.146 1.00 0.00 N ATOM 762 CA PRO A 49 3.343 10.565 46.909 1.00 0.00 C ATOM 763 C PRO A 49 3.617 11.423 45.668 1.00 0.00 C ATOM 764 O PRO A 49 3.613 10.920 44.544 1.00 0.00 O ATOM 765 CB PRO A 49 1.854 10.572 47.262 1.00 0.00 C ATOM 766 CG PRO A 49 1.831 10.364 48.733 1.00 0.00 C ATOM 767 CD PRO A 49 3.043 11.126 49.274 1.00 0.00 C ATOM 0 HA PRO A 49 3.728 9.579 46.649 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.383 11.515 46.985 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.316 9.781 46.739 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.905 10.740 49.168 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.892 9.304 48.980 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.779 12.142 49.568 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.463 10.639 50.154 1.00 0.00 H new ATOM 775 N ALA A 50 3.896 12.706 45.882 1.00 0.00 N ATOM 776 CA ALA A 50 4.221 13.624 44.789 1.00 0.00 C ATOM 777 C ALA A 50 5.550 13.243 44.135 1.00 0.00 C ATOM 778 O ALA A 50 5.737 13.459 42.938 1.00 0.00 O ATOM 779 CB ALA A 50 4.295 15.061 45.310 1.00 0.00 C ATOM 0 H ALA A 50 3.904 13.137 46.806 1.00 0.00 H new ATOM 0 HA ALA A 50 3.432 13.553 44.041 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.537 15.734 44.488 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.333 15.343 45.738 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.067 15.131 46.076 1.00 0.00 H new ATOM 785 N LEU A 51 6.458 12.658 44.906 1.00 0.00 N ATOM 786 CA LEU A 51 7.743 12.238 44.354 1.00 0.00 C ATOM 787 C LEU A 51 7.519 11.143 43.314 1.00 0.00 C ATOM 788 O LEU A 51 8.150 11.122 42.259 1.00 0.00 O ATOM 789 CB LEU A 51 8.652 11.700 45.472 1.00 0.00 C ATOM 790 CG LEU A 51 9.284 12.859 46.265 1.00 0.00 C ATOM 791 CD1 LEU A 51 10.351 13.587 45.421 1.00 0.00 C ATOM 792 CD2 LEU A 51 8.192 13.851 46.680 1.00 0.00 C ATOM 0 H LEU A 51 6.334 12.465 45.900 1.00 0.00 H new ATOM 0 HA LEU A 51 8.224 13.098 43.887 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.074 11.066 46.144 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.436 11.077 45.042 1.00 0.00 H new ATOM 0 HG LEU A 51 9.767 12.448 47.151 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.782 14.401 46.003 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.136 12.884 45.143 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.889 13.991 44.520 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.640 14.671 47.241 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.702 14.245 45.790 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.457 13.343 47.304 1.00 0.00 H new ATOM 804 N ALA A 52 6.584 10.256 43.628 1.00 0.00 N ATOM 805 CA ALA A 52 6.242 9.169 42.719 1.00 0.00 C ATOM 806 C ALA A 52 5.737 9.745 41.399 1.00 0.00 C ATOM 807 O ALA A 52 6.119 9.279 40.325 1.00 0.00 O ATOM 808 CB ALA A 52 5.172 8.270 43.342 1.00 0.00 C ATOM 0 H ALA A 52 6.052 10.267 44.498 1.00 0.00 H new ATOM 0 HA ALA A 52 7.133 8.569 42.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.927 7.463 42.651 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.549 7.848 44.274 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.277 8.857 43.545 1.00 0.00 H new ATOM 814 N ILE A 53 4.896 10.772 41.479 1.00 0.00 N ATOM 815 CA ILE A 53 4.375 11.407 40.270 1.00 0.00 C ATOM 816 C ILE A 53 5.512 12.028 39.455 1.00 0.00 C ATOM 817 O ILE A 53 5.611 11.769 38.256 1.00 0.00 O ATOM 818 CB ILE A 53 3.348 12.488 40.649 1.00 0.00 C ATOM 819 CG1 ILE A 53 2.084 11.840 41.256 1.00 0.00 C ATOM 820 CG2 ILE A 53 2.966 13.302 39.404 1.00 0.00 C ATOM 821 CD1 ILE A 53 1.153 11.272 40.167 1.00 0.00 C ATOM 0 H ILE A 53 4.564 11.178 42.354 1.00 0.00 H new ATOM 0 HA ILE A 53 3.888 10.647 39.660 1.00 0.00 H new ATOM 0 HB ILE A 53 3.794 13.150 41.391 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.377 11.041 41.937 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.544 12.580 41.846 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.239 14.066 39.678 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.856 13.779 38.994 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.532 12.639 38.655 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.276 10.825 40.635 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.839 12.076 39.501 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.685 10.513 39.594 1.00 0.00 H new ATOM 833 N PHE A 54 6.369 12.838 40.070 1.00 0.00 N ATOM 834 CA PHE A 54 7.466 13.451 39.324 1.00 0.00 C ATOM 835 C PHE A 54 8.355 12.378 38.703 1.00 0.00 C ATOM 836 O PHE A 54 8.775 12.499 37.553 1.00 0.00 O ATOM 837 CB PHE A 54 8.294 14.343 40.253 1.00 0.00 C ATOM 838 CG PHE A 54 9.392 15.017 39.464 1.00 0.00 C ATOM 839 CD1 PHE A 54 9.094 16.128 38.665 1.00 0.00 C ATOM 840 CD2 PHE A 54 10.706 14.540 39.535 1.00 0.00 C ATOM 841 CE1 PHE A 54 10.109 16.760 37.937 1.00 0.00 C ATOM 842 CE2 PHE A 54 11.722 15.171 38.807 1.00 0.00 C ATOM 843 CZ PHE A 54 11.423 16.281 38.007 1.00 0.00 C ATOM 0 H PHE A 54 6.329 13.082 41.060 1.00 0.00 H new ATOM 0 HA PHE A 54 7.046 14.060 38.524 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.654 15.093 40.719 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.724 13.747 41.058 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.081 16.497 38.610 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.936 13.684 40.152 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.879 17.617 37.321 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.736 14.802 38.862 1.00 0.00 H new ATOM 0 HZ PHE A 54 12.206 16.768 37.444 1.00 0.00 H new ATOM 853 N ILE A 55 8.607 11.316 39.455 1.00 0.00 N ATOM 854 CA ILE A 55 9.413 10.213 38.950 1.00 0.00 C ATOM 855 C ILE A 55 8.687 9.530 37.791 1.00 0.00 C ATOM 856 O ILE A 55 9.278 9.191 36.766 1.00 0.00 O ATOM 857 CB ILE A 55 9.663 9.200 40.073 1.00 0.00 C ATOM 858 CG1 ILE A 55 10.604 9.820 41.110 1.00 0.00 C ATOM 859 CG2 ILE A 55 10.308 7.933 39.502 1.00 0.00 C ATOM 860 CD1 ILE A 55 10.614 8.958 42.374 1.00 0.00 C ATOM 0 H ILE A 55 8.268 11.195 40.409 1.00 0.00 H new ATOM 0 HA ILE A 55 10.368 10.600 38.595 1.00 0.00 H new ATOM 0 HB ILE A 55 8.713 8.940 40.539 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.612 9.896 40.702 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.280 10.833 41.351 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.482 7.219 40.307 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.644 7.489 38.760 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.258 8.188 39.032 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.284 9.401 43.111 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.606 8.904 42.786 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.959 7.954 42.127 1.00 0.00 H new ATOM 872 N GLY A 56 7.383 9.355 37.988 1.00 0.00 N ATOM 873 CA GLY A 56 6.525 8.731 36.984 1.00 0.00 C ATOM 874 C GLY A 56 6.455 9.577 35.713 1.00 0.00 C ATOM 875 O GLY A 56 6.535 9.052 34.602 1.00 0.00 O ATOM 0 H GLY A 56 6.895 9.638 38.838 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.906 7.739 36.743 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.523 8.598 37.391 1.00 0.00 H new ATOM 879 N LEU A 57 6.310 10.890 35.887 1.00 0.00 N ATOM 880 CA LEU A 57 6.237 11.788 34.736 1.00 0.00 C ATOM 881 C LEU A 57 7.540 11.723 33.948 1.00 0.00 C ATOM 882 O LEU A 57 7.531 11.585 32.724 1.00 0.00 O ATOM 883 CB LEU A 57 5.982 13.228 35.198 1.00 0.00 C ATOM 884 CG LEU A 57 4.548 13.370 35.738 1.00 0.00 C ATOM 885 CD1 LEU A 57 4.408 14.733 36.423 1.00 0.00 C ATOM 886 CD2 LEU A 57 3.522 13.263 34.590 1.00 0.00 C ATOM 0 H LEU A 57 6.242 11.349 36.795 1.00 0.00 H new ATOM 0 HA LEU A 57 5.412 11.473 34.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.698 13.501 35.973 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.135 13.916 34.367 1.00 0.00 H new ATOM 0 HG LEU A 57 4.355 12.568 36.451 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.395 14.844 36.809 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.120 14.802 37.246 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.610 15.525 35.702 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.514 13.366 34.992 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.705 14.054 33.863 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.621 12.293 34.103 1.00 0.00 H new ATOM 898 N THR A 58 8.657 11.860 34.651 1.00 0.00 N ATOM 899 CA THR A 58 9.964 11.854 34.006 1.00 0.00 C ATOM 900 C THR A 58 10.134 10.618 33.129 1.00 0.00 C ATOM 901 O THR A 58 10.626 10.701 32.004 1.00 0.00 O ATOM 902 CB THR A 58 11.054 11.854 35.082 1.00 0.00 C ATOM 903 OG1 THR A 58 10.923 13.018 35.884 1.00 0.00 O ATOM 904 CG2 THR A 58 12.432 11.845 34.418 1.00 0.00 C ATOM 0 H THR A 58 8.685 11.976 35.664 1.00 0.00 H new ATOM 0 HA THR A 58 10.045 12.742 33.379 1.00 0.00 H new ATOM 0 HB THR A 58 10.948 10.966 35.705 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.204 12.886 36.536 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.206 11.845 35.186 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.533 10.952 33.801 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.541 12.732 33.793 1.00 0.00 H new ATOM 912 N ILE A 59 9.687 9.479 33.645 1.00 0.00 N ATOM 913 CA ILE A 59 9.755 8.234 32.890 1.00 0.00 C ATOM 914 C ILE A 59 8.851 8.325 31.660 1.00 0.00 C ATOM 915 O ILE A 59 9.233 7.896 30.571 1.00 0.00 O ATOM 916 CB ILE A 59 9.347 7.048 33.769 1.00 0.00 C ATOM 917 CG1 ILE A 59 10.404 6.838 34.857 1.00 0.00 C ATOM 918 CG2 ILE A 59 9.243 5.783 32.912 1.00 0.00 C ATOM 919 CD1 ILE A 59 9.877 5.847 35.897 1.00 0.00 C ATOM 0 H ILE A 59 9.277 9.392 34.575 1.00 0.00 H new ATOM 0 HA ILE A 59 10.783 8.076 32.563 1.00 0.00 H new ATOM 0 HB ILE A 59 8.380 7.253 34.229 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.326 6.461 34.415 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.644 7.788 35.334 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.953 4.941 33.540 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.494 5.931 32.134 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.209 5.576 32.451 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.629 5.698 36.671 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.966 6.242 36.347 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.659 4.894 35.414 1.00 0.00 H new ATOM 931 N TYR A 60 7.641 8.850 31.840 1.00 0.00 N ATOM 932 CA TYR A 60 6.681 8.949 30.742 1.00 0.00 C ATOM 933 C TYR A 60 7.244 9.719 29.542 1.00 0.00 C ATOM 934 O TYR A 60 7.007 9.324 28.404 1.00 0.00 O ATOM 935 CB TYR A 60 5.396 9.642 31.246 1.00 0.00 C ATOM 936 CG TYR A 60 4.424 8.628 31.819 1.00 0.00 C ATOM 937 CD1 TYR A 60 4.882 7.591 32.640 1.00 0.00 C ATOM 938 CD2 TYR A 60 3.059 8.739 31.528 1.00 0.00 C ATOM 939 CE1 TYR A 60 3.976 6.664 33.169 1.00 0.00 C ATOM 940 CE2 TYR A 60 2.153 7.813 32.057 1.00 0.00 C ATOM 941 CZ TYR A 60 2.612 6.775 32.878 1.00 0.00 C ATOM 942 OH TYR A 60 1.718 5.861 33.399 1.00 0.00 O ATOM 0 H TYR A 60 7.303 9.212 32.732 1.00 0.00 H new ATOM 0 HA TYR A 60 6.461 7.936 30.404 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.650 10.379 32.008 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.923 10.182 30.425 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.935 7.506 32.865 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.705 9.539 30.895 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.330 5.863 33.802 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.100 7.899 31.832 1.00 0.00 H new ATOM 0 HH TYR A 60 0.812 6.083 33.100 1.00 0.00 H new ATOM 952 N ALA A 61 7.987 10.797 29.762 1.00 0.00 N ATOM 953 CA ALA A 61 8.544 11.527 28.627 1.00 0.00 C ATOM 954 C ALA A 61 9.690 10.748 27.981 1.00 0.00 C ATOM 955 O ALA A 61 9.694 10.562 26.766 1.00 0.00 O ATOM 956 CB ALA A 61 9.048 12.897 29.083 1.00 0.00 C ATOM 0 H ALA A 61 8.213 11.176 30.682 1.00 0.00 H new ATOM 0 HA ALA A 61 7.754 11.656 27.887 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.462 13.435 28.230 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.220 13.467 29.505 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.822 12.767 29.840 1.00 0.00 H new ATOM 962 N ILE A 62 10.689 10.353 28.760 1.00 0.00 N ATOM 963 CA ILE A 62 11.859 9.676 28.201 1.00 0.00 C ATOM 964 C ILE A 62 11.483 8.507 27.288 1.00 0.00 C ATOM 965 O ILE A 62 12.035 8.369 26.196 1.00 0.00 O ATOM 966 CB ILE A 62 12.708 9.138 29.362 1.00 0.00 C ATOM 967 CG1 ILE A 62 13.298 10.318 30.141 1.00 0.00 C ATOM 968 CG2 ILE A 62 13.853 8.273 28.818 1.00 0.00 C ATOM 969 CD1 ILE A 62 13.904 9.814 31.452 1.00 0.00 C ATOM 0 H ILE A 62 10.716 10.486 29.771 1.00 0.00 H new ATOM 0 HA ILE A 62 12.407 10.401 27.599 1.00 0.00 H new ATOM 0 HB ILE A 62 12.080 8.533 30.016 1.00 0.00 H new ATOM 0 HG12 ILE A 62 14.061 10.816 29.543 1.00 0.00 H new ATOM 0 HG13 ILE A 62 12.522 11.056 30.347 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.450 7.896 29.648 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.441 7.434 28.257 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.483 8.874 28.162 1.00 0.00 H new ATOM 0 HD11 ILE A 62 14.324 10.654 32.006 1.00 0.00 H new ATOM 0 HD12 ILE A 62 13.129 9.336 32.051 1.00 0.00 H new ATOM 0 HD13 ILE A 62 14.692 9.093 31.235 1.00 0.00 H new ATOM 981 N GLN A 63 10.543 7.679 27.722 1.00 0.00 N ATOM 982 CA GLN A 63 10.123 6.550 26.899 1.00 0.00 C ATOM 983 C GLN A 63 9.380 7.051 25.660 1.00 0.00 C ATOM 984 O GLN A 63 9.499 6.475 24.582 1.00 0.00 O ATOM 985 CB GLN A 63 9.233 5.594 27.707 1.00 0.00 C ATOM 986 CG GLN A 63 7.928 6.295 28.117 1.00 0.00 C ATOM 987 CD GLN A 63 6.936 6.290 26.958 1.00 0.00 C ATOM 988 OE1 GLN A 63 7.133 5.580 25.973 1.00 0.00 O ATOM 989 NE2 GLN A 63 5.874 7.046 27.018 1.00 0.00 N ATOM 0 H GLN A 63 10.065 7.762 28.619 1.00 0.00 H new ATOM 0 HA GLN A 63 11.010 6.003 26.580 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.007 4.708 27.113 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.766 5.254 28.595 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.492 5.791 28.979 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.138 7.321 28.420 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.712 7.634 27.836 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.206 7.049 26.247 1.00 0.00 H new ATOM 998 N ARG A 64 8.652 8.149 25.826 1.00 0.00 N ATOM 999 CA ARG A 64 7.900 8.807 24.754 1.00 0.00 C ATOM 1000 C ARG A 64 8.822 9.643 23.845 1.00 0.00 C ATOM 1001 O ARG A 64 8.482 9.970 22.711 1.00 0.00 O ATOM 1002 CB ARG A 64 6.842 9.740 25.359 1.00 0.00 C ATOM 1003 CG ARG A 64 5.816 10.129 24.286 1.00 0.00 C ATOM 1004 CD ARG A 64 5.012 11.343 24.750 1.00 0.00 C ATOM 1005 NE ARG A 64 5.847 12.537 24.709 1.00 0.00 N ATOM 1006 CZ ARG A 64 5.356 13.737 25.000 1.00 0.00 C ATOM 1007 NH1 ARG A 64 4.106 13.862 25.354 1.00 0.00 N ATOM 1008 NH2 ARG A 64 6.123 14.790 24.932 1.00 0.00 N ATOM 0 H ARG A 64 8.563 8.620 26.727 1.00 0.00 H new ATOM 0 HA ARG A 64 7.430 8.026 24.157 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.341 9.245 26.191 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.319 10.634 25.760 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.325 10.356 23.349 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.146 9.292 24.090 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.139 11.477 24.111 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.644 11.181 25.763 1.00 0.00 H new ATOM 0 HE ARG A 64 6.830 12.449 24.451 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.506 13.039 25.407 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.729 14.783 25.577 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.100 14.692 24.655 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.746 15.711 25.155 1.00 0.00 H new ATOM 1022 N LYS A 65 9.975 10.004 24.394 1.00 0.00 N ATOM 1023 CA LYS A 65 10.970 10.848 23.715 1.00 0.00 C ATOM 1024 C LYS A 65 11.817 10.138 22.636 1.00 0.00 C ATOM 1025 O LYS A 65 12.186 10.711 21.612 1.00 0.00 O ATOM 1026 CB LYS A 65 11.960 11.325 24.794 1.00 0.00 C ATOM 1027 CG LYS A 65 12.863 12.457 24.254 1.00 0.00 C ATOM 1028 CD LYS A 65 12.173 13.819 24.420 1.00 0.00 C ATOM 1029 CE LYS A 65 13.085 14.921 23.877 1.00 0.00 C ATOM 1030 NZ LYS A 65 14.357 14.941 24.655 1.00 0.00 N ATOM 0 H LYS A 65 10.256 9.720 25.333 1.00 0.00 H new ATOM 0 HA LYS A 65 10.410 11.635 23.211 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.410 11.678 25.667 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.577 10.488 25.123 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.814 12.457 24.786 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.087 12.282 23.202 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.222 13.824 23.888 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.951 14.001 25.472 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.294 14.747 22.821 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.587 15.888 23.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.806 15.875 24.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.154 14.752 25.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.000 14.210 24.288 1.00 0.00 H new ATOM 1044 N ARG A 66 12.074 8.864 22.912 1.00 0.00 N ATOM 1045 CA ARG A 66 12.834 7.987 22.003 1.00 0.00 C ATOM 1046 C ARG A 66 11.956 7.382 20.894 1.00 0.00 C ATOM 1047 O ARG A 66 12.341 7.325 19.726 1.00 0.00 O ATOM 1048 CB ARG A 66 13.493 6.857 22.804 1.00 0.00 C ATOM 1049 CG ARG A 66 14.370 7.424 23.935 1.00 0.00 C ATOM 1050 CD ARG A 66 15.665 8.033 23.378 1.00 0.00 C ATOM 1051 NE ARG A 66 16.428 7.025 22.648 1.00 0.00 N ATOM 1052 CZ ARG A 66 17.238 6.183 23.283 1.00 0.00 C ATOM 1053 NH1 ARG A 66 17.355 6.244 24.581 1.00 0.00 N ATOM 1054 NH2 ARG A 66 17.918 5.298 22.607 1.00 0.00 N ATOM 0 H ARG A 66 11.766 8.403 23.768 1.00 0.00 H new ATOM 0 HA ARG A 66 13.592 8.604 21.521 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.725 6.208 23.225 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.101 6.242 22.140 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.814 8.184 24.484 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.612 6.632 24.643 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.428 8.867 22.718 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.267 8.433 24.194 1.00 0.00 H new ATOM 0 HE ARG A 66 16.338 6.966 21.634 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.825 6.938 25.109 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.976 5.598 25.068 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.828 5.252 21.592 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.539 4.652 23.094 1.00 0.00 H new ATOM 1068 N GLN A 67 10.751 7.008 21.290 1.00 0.00 N ATOM 1069 CA GLN A 67 9.722 6.478 20.386 1.00 0.00 C ATOM 1070 C GLN A 67 8.920 7.618 19.755 1.00 0.00 C ATOM 1071 O GLN A 67 8.086 7.408 18.882 1.00 0.00 O ATOM 1072 CB GLN A 67 8.801 5.509 21.128 1.00 0.00 C ATOM 1073 CG GLN A 67 7.889 6.281 22.071 1.00 0.00 C ATOM 1074 CD GLN A 67 7.264 5.319 23.078 1.00 0.00 C ATOM 1075 OE1 GLN A 67 7.769 4.210 23.256 1.00 0.00 O ATOM 1076 NE2 GLN A 67 6.200 5.671 23.748 1.00 0.00 N ATOM 0 H GLN A 67 10.447 7.062 22.262 1.00 0.00 H new ATOM 0 HA GLN A 67 10.217 5.929 19.585 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.204 4.942 20.414 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.394 4.788 21.691 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.456 7.052 22.593 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.108 6.788 21.504 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.784 6.590 23.598 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.785 5.027 24.421 1.00 0.00 H new ATOM 1085 N ALA A 68 9.128 8.808 20.309 1.00 0.00 N ATOM 1086 CA ALA A 68 8.353 9.990 19.900 1.00 0.00 C ATOM 1087 C ALA A 68 8.208 9.982 18.366 1.00 0.00 C ATOM 1088 O ALA A 68 7.126 10.232 17.835 1.00 0.00 O ATOM 1089 CB ALA A 68 9.099 11.274 20.340 1.00 0.00 C ATOM 0 H ALA A 68 9.819 8.986 21.037 1.00 0.00 H new ATOM 0 HA ALA A 68 7.368 9.968 20.367 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.525 12.150 20.037 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.216 11.274 21.424 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.082 11.303 19.869 1.00 0.00 H new ATOM 1095 N ASP A 69 9.281 9.599 17.679 1.00 0.00 N ATOM 1096 CA ASP A 69 9.237 9.450 16.224 1.00 0.00 C ATOM 1097 C ASP A 69 8.198 8.386 15.874 1.00 0.00 C ATOM 1098 O ASP A 69 7.315 8.601 15.045 1.00 0.00 O ATOM 1099 CB ASP A 69 10.607 8.986 15.720 1.00 0.00 C ATOM 1100 CG ASP A 69 10.575 8.841 14.201 1.00 0.00 C ATOM 1101 OD1 ASP A 69 9.487 8.865 13.651 1.00 0.00 O ATOM 1102 OD2 ASP A 69 11.634 8.694 13.614 1.00 0.00 O ATOM 0 H ASP A 69 10.185 9.387 18.100 1.00 0.00 H new ATOM 0 HA ASP A 69 8.978 10.402 15.761 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.374 9.704 16.010 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.871 8.034 16.180 1.00 0.00 H new