USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 749 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 THR OG1 : rot -8:sc= 1.1 USER MOD Set 1.2: A 92 MET CE :methyl 153:sc= -3.05! (180deg=-3!) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -163:sc= -1.15 (180deg=-1.6) USER MOD Set 2.2: A 85 SER OG : rot -97:sc= 2.07 USER MOD Set 3.1: A 64 TYR OH : rot 160:sc= 0.387 USER MOD Set 3.2: A 72 MET CE :methyl -155:sc= -0.315 (180deg=-1.47!) USER MOD Set 4.1: A 56 LYS NZ :NH3+ 160:sc= -0.13! (180deg=-1.17!) USER MOD Set 4.2: A 58 SER OG : rot -48:sc= -0.123 USER MOD Set 5.1: A 49 TYR OH : rot 56:sc= 1.25 USER MOD Set 5.2: A 55 TYR OH : rot 20:sc= 1.3 USER MOD Set 6.1: A 36 LYS NZ :NH3+ -175:sc= 0.861 (180deg=0) USER MOD Set 6.2: A 40 THR OG1 : rot 67:sc= 1.07 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -177:sc= -4.56 (180deg=-4.86) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -129:sc= 0.645 (180deg=-1.39!) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.0337 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -171:sc= -0.115 (180deg=-0.197) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 72:sc= -1.58! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -162:sc= -0.184 (180deg=-0.678) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 34:sc= -4.7! USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= 1.25 (180deg=-0.107) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 73:sc= -0.392! USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= -0.0117 (180deg=-0.17) USER MOD ----------------------------------------------------------------- ATOM 81 N GLY A 7 15.872 -0.183 3.475 1.00 0.00 N ATOM 82 CA GLY A 7 16.088 0.768 4.541 1.00 0.00 C ATOM 83 C GLY A 7 14.797 1.171 5.212 1.00 0.00 C ATOM 84 O GLY A 7 14.789 1.558 6.382 1.00 0.00 O ATOM 0 HA2 GLY A 7 16.761 0.336 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.581 1.654 4.141 1.00 0.00 H new ATOM 88 N ILE A 8 13.699 1.076 4.478 1.00 0.00 N ATOM 89 CA ILE A 8 12.402 1.439 5.012 1.00 0.00 C ATOM 90 C ILE A 8 11.518 0.208 5.110 1.00 0.00 C ATOM 91 O ILE A 8 10.967 -0.260 4.117 1.00 0.00 O ATOM 92 CB ILE A 8 11.721 2.532 4.155 1.00 0.00 C ATOM 93 CG1 ILE A 8 12.423 3.869 4.366 1.00 0.00 C ATOM 94 CG2 ILE A 8 10.240 2.658 4.483 1.00 0.00 C ATOM 95 CD1 ILE A 8 13.698 4.029 3.576 1.00 0.00 C ATOM 0 H ILE A 8 13.683 0.750 3.512 1.00 0.00 H new ATOM 0 HA ILE A 8 12.550 1.851 6.010 1.00 0.00 H new ATOM 0 HB ILE A 8 11.804 2.240 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.738 4.673 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.649 3.985 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.795 3.435 3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.742 1.708 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.121 2.921 5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.134 5.006 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.404 3.249 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.479 3.948 2.511 1.00 0.00 H new ATOM 107 N PHE A 9 11.352 -0.278 6.323 1.00 0.00 N ATOM 108 CA PHE A 9 10.663 -1.537 6.549 1.00 0.00 C ATOM 109 C PHE A 9 9.384 -1.302 7.322 1.00 0.00 C ATOM 110 O PHE A 9 9.411 -0.822 8.457 1.00 0.00 O ATOM 111 CB PHE A 9 11.561 -2.513 7.311 1.00 0.00 C ATOM 112 CG PHE A 9 12.851 -2.829 6.607 1.00 0.00 C ATOM 113 CD1 PHE A 9 12.905 -3.825 5.645 1.00 0.00 C ATOM 114 CD2 PHE A 9 14.010 -2.131 6.908 1.00 0.00 C ATOM 115 CE1 PHE A 9 14.089 -4.118 4.997 1.00 0.00 C ATOM 116 CE2 PHE A 9 15.197 -2.419 6.262 1.00 0.00 C ATOM 117 CZ PHE A 9 15.236 -3.413 5.307 1.00 0.00 C ATOM 0 H PHE A 9 11.685 0.180 7.172 1.00 0.00 H new ATOM 0 HA PHE A 9 10.418 -1.973 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.787 -2.094 8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.013 -3.440 7.479 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.011 -4.379 5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.985 -1.353 7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.118 -4.897 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 9 16.093 -1.867 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 9 16.163 -3.640 4.802 1.00 0.00 H new ATOM 127 N VAL A 10 8.269 -1.644 6.712 1.00 0.00 N ATOM 128 CA VAL A 10 6.977 -1.412 7.318 1.00 0.00 C ATOM 129 C VAL A 10 6.277 -2.738 7.586 1.00 0.00 C ATOM 130 O VAL A 10 6.635 -3.775 7.021 1.00 0.00 O ATOM 131 CB VAL A 10 6.088 -0.523 6.417 1.00 0.00 C ATOM 132 CG1 VAL A 10 6.868 0.690 5.930 1.00 0.00 C ATOM 133 CG2 VAL A 10 5.531 -1.317 5.246 1.00 0.00 C ATOM 0 H VAL A 10 8.233 -2.085 5.793 1.00 0.00 H new ATOM 0 HA VAL A 10 7.138 -0.891 8.262 1.00 0.00 H new ATOM 0 HB VAL A 10 5.244 -0.172 7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.227 1.305 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.202 1.276 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.734 0.359 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.910 -0.668 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.354 -1.708 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.930 -2.145 5.621 1.00 0.00 H new ATOM 143 N LYS A 11 5.278 -2.693 8.442 1.00 0.00 N ATOM 144 CA LYS A 11 4.525 -3.875 8.806 1.00 0.00 C ATOM 145 C LYS A 11 3.197 -3.837 8.099 1.00 0.00 C ATOM 146 O LYS A 11 2.543 -2.803 8.083 1.00 0.00 O ATOM 147 CB LYS A 11 4.305 -3.944 10.321 1.00 0.00 C ATOM 148 CG LYS A 11 3.758 -2.653 10.917 1.00 0.00 C ATOM 149 CD LYS A 11 3.318 -2.820 12.367 1.00 0.00 C ATOM 150 CE LYS A 11 2.124 -3.754 12.486 1.00 0.00 C ATOM 151 NZ LYS A 11 1.548 -3.757 13.857 1.00 0.00 N ATOM 0 H LYS A 11 4.966 -1.839 8.904 1.00 0.00 H new ATOM 0 HA LYS A 11 5.087 -4.760 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.615 -4.758 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.250 -4.187 10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.522 -1.878 10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.912 -2.311 10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.147 -3.212 12.957 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.062 -1.846 12.785 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.357 -3.453 11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.428 -4.766 12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.737 -4.407 13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.271 -4.069 14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.233 -2.797 14.103 1.00 0.00 H new ATOM 165 N VAL A 12 2.807 -4.954 7.519 1.00 0.00 N ATOM 166 CA VAL A 12 1.572 -5.014 6.753 1.00 0.00 C ATOM 167 C VAL A 12 0.671 -6.144 7.241 1.00 0.00 C ATOM 168 O VAL A 12 1.097 -7.292 7.390 1.00 0.00 O ATOM 169 CB VAL A 12 1.860 -5.150 5.230 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.284 -5.613 5.001 1.00 0.00 C ATOM 171 CG2 VAL A 12 0.876 -6.090 4.540 1.00 0.00 C ATOM 0 H VAL A 12 3.324 -5.832 7.561 1.00 0.00 H new ATOM 0 HA VAL A 12 1.042 -4.074 6.911 1.00 0.00 H new ATOM 0 HB VAL A 12 1.730 -4.163 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.470 -5.703 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.976 -4.888 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.433 -6.582 5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.117 -6.153 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.945 -7.081 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.138 -5.708 4.660 1.00 0.00 H new ATOM 181 N SER A 13 -0.567 -5.788 7.521 1.00 0.00 N ATOM 182 CA SER A 13 -1.575 -6.751 7.907 1.00 0.00 C ATOM 183 C SER A 13 -2.742 -6.653 6.937 1.00 0.00 C ATOM 184 O SER A 13 -2.949 -5.610 6.308 1.00 0.00 O ATOM 185 CB SER A 13 -2.042 -6.493 9.341 1.00 0.00 C ATOM 186 OG SER A 13 -2.904 -7.526 9.797 1.00 0.00 O ATOM 0 H SER A 13 -0.900 -4.825 7.487 1.00 0.00 H new ATOM 0 HA SER A 13 -1.155 -7.756 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.177 -6.421 10.000 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.561 -5.536 9.390 1.00 0.00 H new ATOM 0 HG SER A 13 -3.185 -7.335 10.716 1.00 0.00 H new ATOM 192 N MET A 14 -3.489 -7.732 6.806 1.00 0.00 N ATOM 193 CA MET A 14 -4.590 -7.779 5.864 1.00 0.00 C ATOM 194 C MET A 14 -5.923 -7.627 6.575 1.00 0.00 C ATOM 195 O MET A 14 -6.111 -8.137 7.680 1.00 0.00 O ATOM 196 CB MET A 14 -4.565 -9.091 5.080 1.00 0.00 C ATOM 197 CG MET A 14 -3.397 -9.204 4.115 1.00 0.00 C ATOM 198 SD MET A 14 -3.289 -7.809 2.989 1.00 0.00 S ATOM 199 CE MET A 14 -4.981 -7.722 2.416 1.00 0.00 C ATOM 0 H MET A 14 -3.353 -8.590 7.341 1.00 0.00 H new ATOM 0 HA MET A 14 -4.473 -6.947 5.170 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.526 -9.923 5.783 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.496 -9.188 4.522 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.469 -9.281 4.682 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.495 -10.124 3.539 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.071 -6.937 1.666 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.266 -8.678 1.977 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.639 -7.498 3.256 1.00 0.00 H new ATOM 209 N ASP A 15 -6.842 -6.910 5.947 1.00 0.00 N ATOM 210 CA ASP A 15 -8.181 -6.754 6.496 1.00 0.00 C ATOM 211 C ASP A 15 -9.186 -7.507 5.639 1.00 0.00 C ATOM 212 O ASP A 15 -9.262 -7.306 4.424 1.00 0.00 O ATOM 213 CB ASP A 15 -8.572 -5.281 6.586 1.00 0.00 C ATOM 214 CG ASP A 15 -9.765 -5.060 7.496 1.00 0.00 C ATOM 215 OD1 ASP A 15 -9.563 -4.868 8.715 1.00 0.00 O ATOM 216 OD2 ASP A 15 -10.907 -5.076 6.999 1.00 0.00 O ATOM 0 H ASP A 15 -6.687 -6.429 5.061 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.184 -7.168 7.504 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.724 -4.704 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.803 -4.907 5.589 1.00 0.00 H new ATOM 221 N GLY A 16 -9.938 -8.387 6.279 1.00 0.00 N ATOM 222 CA GLY A 16 -10.896 -9.218 5.579 1.00 0.00 C ATOM 223 C GLY A 16 -10.421 -10.652 5.498 1.00 0.00 C ATOM 224 O GLY A 16 -11.219 -11.587 5.517 1.00 0.00 O ATOM 0 H GLY A 16 -9.901 -8.543 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.857 -9.179 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.054 -8.827 4.574 1.00 0.00 H new ATOM 228 N ALA A 17 -9.113 -10.816 5.408 1.00 0.00 N ATOM 229 CA ALA A 17 -8.486 -12.124 5.486 1.00 0.00 C ATOM 230 C ALA A 17 -7.263 -12.037 6.382 1.00 0.00 C ATOM 231 O ALA A 17 -6.566 -11.024 6.377 1.00 0.00 O ATOM 232 CB ALA A 17 -8.104 -12.626 4.106 1.00 0.00 C ATOM 0 H ALA A 17 -8.456 -10.047 5.279 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.195 -12.835 5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.637 -13.607 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.998 -12.703 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.403 -11.929 3.646 1.00 0.00 H new ATOM 238 N PRO A 18 -6.988 -13.073 7.178 1.00 0.00 N ATOM 239 CA PRO A 18 -5.828 -13.068 8.066 1.00 0.00 C ATOM 240 C PRO A 18 -4.522 -13.336 7.318 1.00 0.00 C ATOM 241 O PRO A 18 -4.371 -14.370 6.666 1.00 0.00 O ATOM 242 CB PRO A 18 -6.140 -14.212 9.031 1.00 0.00 C ATOM 243 CG PRO A 18 -6.984 -15.155 8.240 1.00 0.00 C ATOM 244 CD PRO A 18 -7.776 -14.312 7.280 1.00 0.00 C ATOM 0 HA PRO A 18 -5.678 -12.103 8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.228 -14.695 9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.669 -13.852 9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.365 -15.875 7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.645 -15.726 8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.883 -14.800 6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.782 -14.118 7.652 1.00 0.00 H new ATOM 252 N TYR A 19 -3.580 -12.405 7.434 1.00 0.00 N ATOM 253 CA TYR A 19 -2.249 -12.553 6.848 1.00 0.00 C ATOM 254 C TYR A 19 -1.244 -11.741 7.633 1.00 0.00 C ATOM 255 O TYR A 19 -1.587 -10.718 8.229 1.00 0.00 O ATOM 256 CB TYR A 19 -2.206 -12.107 5.379 1.00 0.00 C ATOM 257 CG TYR A 19 -2.967 -12.989 4.414 1.00 0.00 C ATOM 258 CD1 TYR A 19 -2.481 -14.239 4.049 1.00 0.00 C ATOM 259 CD2 TYR A 19 -4.165 -12.565 3.856 1.00 0.00 C ATOM 260 CE1 TYR A 19 -3.171 -15.039 3.158 1.00 0.00 C ATOM 261 CE2 TYR A 19 -4.860 -13.360 2.967 1.00 0.00 C ATOM 262 CZ TYR A 19 -4.360 -14.595 2.621 1.00 0.00 C ATOM 263 OH TYR A 19 -5.051 -15.389 1.733 1.00 0.00 O ATOM 0 H TYR A 19 -3.716 -11.527 7.936 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.000 -13.613 6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.604 -11.095 5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.165 -12.062 5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.550 -14.591 4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.560 -11.596 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.780 -16.008 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.792 -13.015 2.545 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.869 -14.929 1.450 1.00 0.00 H new ATOM 273 N LEU A 20 -0.007 -12.195 7.619 1.00 0.00 N ATOM 274 CA LEU A 20 1.069 -11.511 8.303 1.00 0.00 C ATOM 275 C LEU A 20 2.231 -11.278 7.345 1.00 0.00 C ATOM 276 O LEU A 20 2.953 -12.207 6.989 1.00 0.00 O ATOM 277 CB LEU A 20 1.531 -12.352 9.489 1.00 0.00 C ATOM 278 CG LEU A 20 0.963 -11.972 10.865 1.00 0.00 C ATOM 279 CD1 LEU A 20 1.262 -10.519 11.199 1.00 0.00 C ATOM 280 CD2 LEU A 20 -0.531 -12.237 10.933 1.00 0.00 C ATOM 0 H LEU A 20 0.279 -13.046 7.134 1.00 0.00 H new ATOM 0 HA LEU A 20 0.712 -10.546 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.274 -13.392 9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.618 -12.297 9.542 1.00 0.00 H new ATOM 0 HG LEU A 20 1.454 -12.600 11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.848 -10.278 12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.341 -10.363 11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.812 -9.872 10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.905 -11.959 11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.040 -11.647 10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.721 -13.296 10.759 1.00 0.00 H new ATOM 292 N ARG A 21 2.390 -10.039 6.911 1.00 0.00 N ATOM 293 CA ARG A 21 3.464 -9.680 5.991 1.00 0.00 C ATOM 294 C ARG A 21 4.268 -8.493 6.519 1.00 0.00 C ATOM 295 O ARG A 21 3.772 -7.705 7.327 1.00 0.00 O ATOM 296 CB ARG A 21 2.892 -9.352 4.606 1.00 0.00 C ATOM 297 CG ARG A 21 2.326 -10.556 3.863 1.00 0.00 C ATOM 298 CD ARG A 21 3.414 -11.577 3.560 1.00 0.00 C ATOM 299 NE ARG A 21 2.938 -12.677 2.720 1.00 0.00 N ATOM 300 CZ ARG A 21 3.750 -13.529 2.088 1.00 0.00 C ATOM 301 NH1 ARG A 21 5.068 -13.404 2.201 1.00 0.00 N ATOM 302 NH2 ARG A 21 3.243 -14.501 1.342 1.00 0.00 N ATOM 0 H ARG A 21 1.789 -9.260 7.180 1.00 0.00 H new ATOM 0 HA ARG A 21 4.134 -10.536 5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.106 -8.605 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.677 -8.900 3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.543 -11.021 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.862 -10.228 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.246 -11.079 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.799 -11.981 4.497 1.00 0.00 H new ATOM 0 HE ARG A 21 1.931 -12.800 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.462 -12.656 2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.685 -14.056 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.232 -14.599 1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.864 -15.151 0.860 1.00 0.00 H new ATOM 316 N LYS A 22 5.513 -8.373 6.074 1.00 0.00 N ATOM 317 CA LYS A 22 6.327 -7.186 6.344 1.00 0.00 C ATOM 318 C LYS A 22 7.260 -6.957 5.167 1.00 0.00 C ATOM 319 O LYS A 22 7.942 -7.883 4.727 1.00 0.00 O ATOM 320 CB LYS A 22 7.163 -7.324 7.623 1.00 0.00 C ATOM 321 CG LYS A 22 6.430 -7.949 8.786 1.00 0.00 C ATOM 322 CD LYS A 22 6.185 -6.959 9.891 1.00 0.00 C ATOM 323 CE LYS A 22 5.119 -7.480 10.820 1.00 0.00 C ATOM 324 NZ LYS A 22 3.852 -7.773 10.093 1.00 0.00 N ATOM 0 H LYS A 22 5.987 -9.087 5.520 1.00 0.00 H new ATOM 0 HA LYS A 22 5.650 -6.344 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.046 -7.924 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.515 -6.336 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.477 -8.351 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.009 -8.788 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.107 -6.783 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.877 -6.001 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.475 -8.386 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.928 -6.746 11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.058 -7.310 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.919 -7.413 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.693 -8.801 10.072 1.00 0.00 H new ATOM 338 N ILE A 23 7.293 -5.739 4.657 1.00 0.00 N ATOM 339 CA ILE A 23 8.064 -5.444 3.460 1.00 0.00 C ATOM 340 C ILE A 23 8.752 -4.098 3.541 1.00 0.00 C ATOM 341 O ILE A 23 8.539 -3.318 4.470 1.00 0.00 O ATOM 342 CB ILE A 23 7.196 -5.472 2.185 1.00 0.00 C ATOM 343 CG1 ILE A 23 5.911 -4.680 2.402 1.00 0.00 C ATOM 344 CG2 ILE A 23 6.899 -6.897 1.769 1.00 0.00 C ATOM 345 CD1 ILE A 23 4.903 -4.810 1.278 1.00 0.00 C ATOM 0 H ILE A 23 6.797 -4.939 5.051 1.00 0.00 H new ATOM 0 HA ILE A 23 8.816 -6.231 3.401 1.00 0.00 H new ATOM 0 HB ILE A 23 7.752 -5.001 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.447 -5.010 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.163 -3.627 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.286 -6.893 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.834 -7.420 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.363 -7.406 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.019 -4.216 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.346 -4.451 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.618 -5.856 1.164 1.00 0.00 H new ATOM 357 N ASP A 24 9.572 -3.849 2.541 1.00 0.00 N ATOM 358 CA ASP A 24 10.325 -2.607 2.433 1.00 0.00 C ATOM 359 C ASP A 24 9.820 -1.835 1.226 1.00 0.00 C ATOM 360 O ASP A 24 9.755 -2.368 0.122 1.00 0.00 O ATOM 361 CB ASP A 24 11.828 -2.897 2.283 1.00 0.00 C ATOM 362 CG ASP A 24 12.680 -1.638 2.190 1.00 0.00 C ATOM 363 OD1 ASP A 24 12.501 -0.858 1.235 1.00 0.00 O ATOM 364 OD2 ASP A 24 13.554 -1.434 3.061 1.00 0.00 O ATOM 0 H ASP A 24 9.739 -4.502 1.775 1.00 0.00 H new ATOM 0 HA ASP A 24 10.184 -2.017 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.163 -3.491 3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.987 -3.501 1.390 1.00 0.00 H new ATOM 369 N LEU A 25 9.455 -0.581 1.449 1.00 0.00 N ATOM 370 CA LEU A 25 8.848 0.237 0.418 1.00 0.00 C ATOM 371 C LEU A 25 9.851 0.619 -0.660 1.00 0.00 C ATOM 372 O LEU A 25 9.531 0.610 -1.845 1.00 0.00 O ATOM 373 CB LEU A 25 8.262 1.509 1.027 1.00 0.00 C ATOM 374 CG LEU A 25 6.771 1.474 1.377 1.00 0.00 C ATOM 375 CD1 LEU A 25 6.500 0.546 2.544 1.00 0.00 C ATOM 376 CD2 LEU A 25 6.286 2.867 1.712 1.00 0.00 C ATOM 0 H LEU A 25 9.572 -0.107 2.345 1.00 0.00 H new ATOM 0 HA LEU A 25 8.056 -0.356 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.820 1.742 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.430 2.330 0.330 1.00 0.00 H new ATOM 0 HG LEU A 25 6.232 1.097 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.433 0.544 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.819 -0.464 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.053 0.890 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.225 2.833 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.846 3.252 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.437 3.521 0.853 1.00 0.00 H new ATOM 388 N ARG A 26 11.068 0.931 -0.249 1.00 0.00 N ATOM 389 CA ARG A 26 12.024 1.568 -1.139 1.00 0.00 C ATOM 390 C ARG A 26 12.646 0.571 -2.110 1.00 0.00 C ATOM 391 O ARG A 26 13.106 0.953 -3.185 1.00 0.00 O ATOM 392 CB ARG A 26 13.114 2.276 -0.340 1.00 0.00 C ATOM 393 CG ARG A 26 14.169 1.338 0.211 1.00 0.00 C ATOM 394 CD ARG A 26 15.226 2.077 1.010 1.00 0.00 C ATOM 395 NE ARG A 26 15.922 3.075 0.208 1.00 0.00 N ATOM 396 CZ ARG A 26 17.144 3.529 0.479 1.00 0.00 C ATOM 397 NH1 ARG A 26 17.812 3.078 1.538 1.00 0.00 N ATOM 398 NH2 ARG A 26 17.700 4.435 -0.316 1.00 0.00 N ATOM 0 H ARG A 26 11.417 0.754 0.693 1.00 0.00 H new ATOM 0 HA ARG A 26 11.478 2.307 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.596 3.017 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.653 2.817 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.693 0.590 0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.644 0.804 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.759 2.563 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.948 1.362 1.404 1.00 0.00 H new ATOM 0 HE ARG A 26 15.443 3.449 -0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.388 2.380 2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.748 3.431 1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.191 4.780 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.636 4.786 -0.113 1.00 0.00 H new ATOM 412 N VAL A 27 12.643 -0.707 -1.739 1.00 0.00 N ATOM 413 CA VAL A 27 13.282 -1.737 -2.555 1.00 0.00 C ATOM 414 C VAL A 27 12.589 -1.913 -3.903 1.00 0.00 C ATOM 415 O VAL A 27 13.154 -2.509 -4.817 1.00 0.00 O ATOM 416 CB VAL A 27 13.333 -3.107 -1.842 1.00 0.00 C ATOM 417 CG1 VAL A 27 14.091 -3.006 -0.534 1.00 0.00 C ATOM 418 CG2 VAL A 27 11.935 -3.662 -1.613 1.00 0.00 C ATOM 0 H VAL A 27 12.208 -1.053 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 27 14.301 -1.385 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 27 13.865 -3.801 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.114 -3.983 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.111 -2.674 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.595 -2.289 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.004 -4.626 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.366 -2.969 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.432 -3.788 -2.572 1.00 0.00 H new ATOM 428 N TYR A 28 11.372 -1.399 -4.029 1.00 0.00 N ATOM 429 CA TYR A 28 10.623 -1.540 -5.270 1.00 0.00 C ATOM 430 C TYR A 28 11.002 -0.452 -6.258 1.00 0.00 C ATOM 431 O TYR A 28 10.915 -0.636 -7.470 1.00 0.00 O ATOM 432 CB TYR A 28 9.125 -1.481 -4.998 1.00 0.00 C ATOM 433 CG TYR A 28 8.666 -2.470 -3.959 1.00 0.00 C ATOM 434 CD1 TYR A 28 8.914 -3.826 -4.110 1.00 0.00 C ATOM 435 CD2 TYR A 28 7.984 -2.047 -2.829 1.00 0.00 C ATOM 436 CE1 TYR A 28 8.496 -4.735 -3.162 1.00 0.00 C ATOM 437 CE2 TYR A 28 7.560 -2.951 -1.875 1.00 0.00 C ATOM 438 CZ TYR A 28 7.819 -4.294 -2.047 1.00 0.00 C ATOM 439 OH TYR A 28 7.403 -5.198 -1.101 1.00 0.00 O ATOM 0 H TYR A 28 10.886 -0.885 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 28 10.872 -2.509 -5.702 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.862 -0.475 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.587 -1.666 -5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.443 -4.175 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.781 -0.995 -2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.698 -5.788 -3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.029 -2.608 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 28 8.019 -5.960 -1.084 1.00 0.00 H new ATOM 449 N GLY A 29 11.424 0.684 -5.715 1.00 0.00 N ATOM 450 CA GLY A 29 11.910 1.793 -6.524 1.00 0.00 C ATOM 451 C GLY A 29 10.881 2.331 -7.503 1.00 0.00 C ATOM 452 O GLY A 29 11.225 3.091 -8.411 1.00 0.00 O ATOM 0 H GLY A 29 11.439 0.861 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.228 2.600 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.791 1.468 -7.078 1.00 0.00 H new ATOM 456 N GLY A 30 9.625 1.953 -7.310 1.00 0.00 N ATOM 457 CA GLY A 30 8.572 2.361 -8.214 1.00 0.00 C ATOM 458 C GLY A 30 7.279 1.621 -7.937 1.00 0.00 C ATOM 459 O GLY A 30 7.267 0.646 -7.182 1.00 0.00 O ATOM 0 H GLY A 30 9.316 1.366 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.405 3.434 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.883 2.177 -9.242 1.00 0.00 H new ATOM 463 N TYR A 31 6.198 2.085 -8.546 1.00 0.00 N ATOM 464 CA TYR A 31 4.872 1.529 -8.299 1.00 0.00 C ATOM 465 C TYR A 31 4.720 0.131 -8.882 1.00 0.00 C ATOM 466 O TYR A 31 4.039 -0.714 -8.302 1.00 0.00 O ATOM 467 CB TYR A 31 3.797 2.455 -8.866 1.00 0.00 C ATOM 468 CG TYR A 31 3.806 3.817 -8.221 1.00 0.00 C ATOM 469 CD1 TYR A 31 3.653 3.942 -6.850 1.00 0.00 C ATOM 470 CD2 TYR A 31 3.980 4.970 -8.973 1.00 0.00 C ATOM 471 CE1 TYR A 31 3.674 5.177 -6.241 1.00 0.00 C ATOM 472 CE2 TYR A 31 4.000 6.215 -8.372 1.00 0.00 C ATOM 473 CZ TYR A 31 3.847 6.312 -7.004 1.00 0.00 C ATOM 474 OH TYR A 31 3.869 7.548 -6.397 1.00 0.00 O ATOM 0 H TYR A 31 6.212 2.851 -9.220 1.00 0.00 H new ATOM 0 HA TYR A 31 4.749 1.449 -7.219 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.947 2.565 -9.940 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.818 1.997 -8.726 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.515 3.056 -6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.102 4.894 -10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.555 5.256 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.134 7.105 -8.969 1.00 0.00 H new ATOM 0 HH TYR A 31 4.001 8.243 -7.075 1.00 0.00 H new ATOM 484 N SER A 32 5.365 -0.114 -10.014 1.00 0.00 N ATOM 485 CA SER A 32 5.218 -1.383 -10.716 1.00 0.00 C ATOM 486 C SER A 32 5.635 -2.557 -9.836 1.00 0.00 C ATOM 487 O SER A 32 4.888 -3.524 -9.677 1.00 0.00 O ATOM 488 CB SER A 32 6.042 -1.374 -11.999 1.00 0.00 C ATOM 489 OG SER A 32 5.710 -0.253 -12.808 1.00 0.00 O ATOM 0 H SER A 32 5.995 0.548 -10.466 1.00 0.00 H new ATOM 0 HA SER A 32 4.164 -1.506 -10.966 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.104 -1.349 -11.754 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.865 -2.294 -12.556 1.00 0.00 H new ATOM 0 HG SER A 32 6.252 -0.267 -13.624 1.00 0.00 H new ATOM 495 N GLU A 33 6.822 -2.465 -9.258 1.00 0.00 N ATOM 496 CA GLU A 33 7.331 -3.517 -8.396 1.00 0.00 C ATOM 497 C GLU A 33 6.600 -3.522 -7.059 1.00 0.00 C ATOM 498 O GLU A 33 6.377 -4.580 -6.471 1.00 0.00 O ATOM 499 CB GLU A 33 8.835 -3.354 -8.193 1.00 0.00 C ATOM 500 CG GLU A 33 9.646 -3.691 -9.435 1.00 0.00 C ATOM 501 CD GLU A 33 11.135 -3.498 -9.246 1.00 0.00 C ATOM 502 OE1 GLU A 33 11.675 -3.960 -8.221 1.00 0.00 O ATOM 503 OE2 GLU A 33 11.778 -2.887 -10.128 1.00 0.00 O ATOM 0 H GLU A 33 7.451 -1.670 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 33 7.151 -4.477 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.046 -2.327 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.156 -3.995 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.453 -4.726 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.308 -3.067 -10.262 1.00 0.00 H new ATOM 510 N LEU A 34 6.215 -2.336 -6.598 1.00 0.00 N ATOM 511 CA LEU A 34 5.449 -2.199 -5.362 1.00 0.00 C ATOM 512 C LEU A 34 4.173 -3.031 -5.421 1.00 0.00 C ATOM 513 O LEU A 34 3.939 -3.896 -4.581 1.00 0.00 O ATOM 514 CB LEU A 34 5.065 -0.734 -5.144 1.00 0.00 C ATOM 515 CG LEU A 34 4.072 -0.491 -4.008 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.794 -0.219 -2.701 1.00 0.00 C ATOM 517 CD2 LEU A 34 3.130 0.647 -4.363 1.00 0.00 C ATOM 0 H LEU A 34 6.422 -1.452 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 34 6.073 -2.551 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.971 -0.162 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.640 -0.344 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 34 3.478 -1.395 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.063 -0.050 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.415 -1.077 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.422 0.665 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.429 0.808 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.706 1.557 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.578 0.394 -5.268 1.00 0.00 H new ATOM 529 N LEU A 35 3.374 -2.779 -6.447 1.00 0.00 N ATOM 530 CA LEU A 35 2.100 -3.448 -6.628 1.00 0.00 C ATOM 531 C LEU A 35 2.296 -4.931 -6.917 1.00 0.00 C ATOM 532 O LEU A 35 1.520 -5.779 -6.475 1.00 0.00 O ATOM 533 CB LEU A 35 1.346 -2.773 -7.770 1.00 0.00 C ATOM 534 CG LEU A 35 0.971 -1.309 -7.513 1.00 0.00 C ATOM 535 CD1 LEU A 35 0.492 -0.639 -8.791 1.00 0.00 C ATOM 536 CD2 LEU A 35 -0.095 -1.212 -6.431 1.00 0.00 C ATOM 0 H LEU A 35 3.594 -2.102 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 35 1.520 -3.369 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.957 -2.825 -8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.435 -3.338 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 35 1.864 -0.787 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.232 0.399 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.285 -0.671 -9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.385 -1.164 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.348 -0.165 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.986 -1.754 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.284 -1.647 -5.506 1.00 0.00 H new ATOM 548 N LYS A 36 3.361 -5.223 -7.646 1.00 0.00 N ATOM 549 CA LYS A 36 3.671 -6.581 -8.073 1.00 0.00 C ATOM 550 C LYS A 36 3.938 -7.473 -6.866 1.00 0.00 C ATOM 551 O LYS A 36 3.454 -8.605 -6.803 1.00 0.00 O ATOM 552 CB LYS A 36 4.883 -6.556 -9.022 1.00 0.00 C ATOM 553 CG LYS A 36 5.154 -7.868 -9.751 1.00 0.00 C ATOM 554 CD LYS A 36 5.837 -8.893 -8.855 1.00 0.00 C ATOM 555 CE LYS A 36 6.052 -10.217 -9.567 1.00 0.00 C ATOM 556 NZ LYS A 36 6.707 -11.217 -8.684 1.00 0.00 N ATOM 0 H LYS A 36 4.036 -4.526 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 36 2.816 -6.995 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.730 -5.771 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.770 -6.286 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.214 -8.278 -10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.780 -7.675 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.798 -8.500 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.232 -9.055 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.093 -10.606 -9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.665 -10.058 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.914 -12.078 -9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.594 -10.822 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.072 -11.451 -7.894 1.00 0.00 H new ATOM 570 N ALA A 37 4.695 -6.953 -5.908 1.00 0.00 N ATOM 571 CA ALA A 37 5.043 -7.708 -4.713 1.00 0.00 C ATOM 572 C ALA A 37 3.792 -8.164 -3.978 1.00 0.00 C ATOM 573 O ALA A 37 3.699 -9.306 -3.546 1.00 0.00 O ATOM 574 CB ALA A 37 5.912 -6.871 -3.794 1.00 0.00 C ATOM 0 H ALA A 37 5.080 -6.009 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 37 5.603 -8.591 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.164 -7.449 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.827 -6.590 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.370 -5.972 -3.500 1.00 0.00 H new ATOM 580 N LEU A 38 2.821 -7.272 -3.883 1.00 0.00 N ATOM 581 CA LEU A 38 1.582 -7.541 -3.163 1.00 0.00 C ATOM 582 C LEU A 38 0.811 -8.635 -3.861 1.00 0.00 C ATOM 583 O LEU A 38 0.427 -9.633 -3.249 1.00 0.00 O ATOM 584 CB LEU A 38 0.720 -6.294 -3.127 1.00 0.00 C ATOM 585 CG LEU A 38 1.494 -4.994 -3.194 1.00 0.00 C ATOM 586 CD1 LEU A 38 0.542 -3.841 -3.405 1.00 0.00 C ATOM 587 CD2 LEU A 38 2.329 -4.805 -1.937 1.00 0.00 C ATOM 0 H LEU A 38 2.866 -6.342 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 38 1.832 -7.848 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.019 -6.328 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.128 -6.303 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 38 2.180 -5.028 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.105 -2.909 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.002 -3.984 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.165 -3.797 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.878 -3.866 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.675 -4.782 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.033 -5.631 -1.840 1.00 0.00 H new ATOM 599 N GLU A 39 0.588 -8.425 -5.153 1.00 0.00 N ATOM 600 CA GLU A 39 -0.053 -9.423 -6.001 1.00 0.00 C ATOM 601 C GLU A 39 0.648 -10.771 -5.871 1.00 0.00 C ATOM 602 O GLU A 39 0.035 -11.823 -6.039 1.00 0.00 O ATOM 603 CB GLU A 39 -0.040 -8.970 -7.460 1.00 0.00 C ATOM 604 CG GLU A 39 -0.786 -7.669 -7.691 1.00 0.00 C ATOM 605 CD GLU A 39 -0.953 -7.342 -9.157 1.00 0.00 C ATOM 606 OE1 GLU A 39 -0.054 -6.694 -9.733 1.00 0.00 O ATOM 607 OE2 GLU A 39 -1.985 -7.730 -9.744 1.00 0.00 O ATOM 0 H GLU A 39 0.844 -7.566 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.087 -9.533 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.993 -8.852 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.483 -9.750 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.768 -7.731 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.250 -6.856 -7.201 1.00 0.00 H new ATOM 614 N THR A 40 1.934 -10.729 -5.570 1.00 0.00 N ATOM 615 CA THR A 40 2.696 -11.932 -5.321 1.00 0.00 C ATOM 616 C THR A 40 2.402 -12.507 -3.930 1.00 0.00 C ATOM 617 O THR A 40 2.175 -13.709 -3.787 1.00 0.00 O ATOM 618 CB THR A 40 4.202 -11.657 -5.463 1.00 0.00 C ATOM 619 OG1 THR A 40 4.515 -11.364 -6.833 1.00 0.00 O ATOM 620 CG2 THR A 40 5.020 -12.839 -4.977 1.00 0.00 C ATOM 0 H THR A 40 2.472 -9.866 -5.493 1.00 0.00 H new ATOM 0 HA THR A 40 2.394 -12.669 -6.065 1.00 0.00 H new ATOM 0 HB THR A 40 4.456 -10.796 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.105 -10.511 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.081 -12.618 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.797 -13.028 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.770 -13.721 -5.566 1.00 0.00 H new ATOM 628 N MET A 41 2.375 -11.636 -2.921 1.00 0.00 N ATOM 629 CA MET A 41 2.310 -12.067 -1.525 1.00 0.00 C ATOM 630 C MET A 41 1.070 -12.916 -1.237 1.00 0.00 C ATOM 631 O MET A 41 1.174 -14.032 -0.731 1.00 0.00 O ATOM 632 CB MET A 41 2.323 -10.863 -0.571 1.00 0.00 C ATOM 633 CG MET A 41 3.548 -9.965 -0.704 1.00 0.00 C ATOM 634 SD MET A 41 4.015 -9.158 0.842 1.00 0.00 S ATOM 635 CE MET A 41 2.719 -7.937 1.013 1.00 0.00 C ATOM 0 H MET A 41 2.397 -10.624 -3.046 1.00 0.00 H new ATOM 0 HA MET A 41 3.196 -12.679 -1.355 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.429 -10.265 -0.748 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.265 -11.227 0.455 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.388 -10.559 -1.063 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.351 -9.203 -1.458 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.962 -7.261 1.833 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.631 -7.368 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.774 -8.437 1.223 1.00 0.00 H new ATOM 645 N PHE A 42 -0.105 -12.383 -1.548 1.00 0.00 N ATOM 646 CA PHE A 42 -1.354 -13.101 -1.287 1.00 0.00 C ATOM 647 C PHE A 42 -1.934 -13.679 -2.572 1.00 0.00 C ATOM 648 O PHE A 42 -3.061 -14.174 -2.598 1.00 0.00 O ATOM 649 CB PHE A 42 -2.380 -12.196 -0.592 1.00 0.00 C ATOM 650 CG PHE A 42 -1.990 -10.749 -0.565 1.00 0.00 C ATOM 651 CD1 PHE A 42 -2.283 -9.916 -1.632 1.00 0.00 C ATOM 652 CD2 PHE A 42 -1.323 -10.223 0.527 1.00 0.00 C ATOM 653 CE1 PHE A 42 -1.917 -8.592 -1.610 1.00 0.00 C ATOM 654 CE2 PHE A 42 -0.955 -8.895 0.551 1.00 0.00 C ATOM 655 CZ PHE A 42 -1.254 -8.082 -0.521 1.00 0.00 C ATOM 0 H PHE A 42 -0.223 -11.465 -1.977 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.122 -13.928 -0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.340 -12.295 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.523 -12.543 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.805 -10.312 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.089 -10.859 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.151 -7.953 -2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.434 -8.493 1.407 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.966 -7.041 -0.504 1.00 0.00 H new ATOM 665 N LYS A 43 -1.131 -13.600 -3.630 1.00 0.00 N ATOM 666 CA LYS A 43 -1.444 -14.209 -4.927 1.00 0.00 C ATOM 667 C LYS A 43 -2.796 -13.756 -5.484 1.00 0.00 C ATOM 668 O LYS A 43 -3.602 -14.580 -5.916 1.00 0.00 O ATOM 669 CB LYS A 43 -1.414 -15.737 -4.829 1.00 0.00 C ATOM 670 CG LYS A 43 -0.096 -16.300 -4.313 1.00 0.00 C ATOM 671 CD LYS A 43 -0.248 -16.887 -2.916 1.00 0.00 C ATOM 672 CE LYS A 43 -1.162 -18.104 -2.921 1.00 0.00 C ATOM 673 NZ LYS A 43 -1.351 -18.668 -1.560 1.00 0.00 N ATOM 0 H LYS A 43 -0.237 -13.109 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.674 -13.869 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.219 -16.064 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.616 -16.158 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.264 -17.070 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.656 -15.511 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.732 -17.168 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.651 -16.130 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.131 -17.827 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.743 -18.869 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.980 -19.495 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.430 -18.957 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.776 -17.948 -0.942 1.00 0.00 H new ATOM 687 N LEU A 44 -3.037 -12.455 -5.490 1.00 0.00 N ATOM 688 CA LEU A 44 -4.261 -11.914 -6.069 1.00 0.00 C ATOM 689 C LEU A 44 -3.974 -10.614 -6.803 1.00 0.00 C ATOM 690 O LEU A 44 -2.836 -10.159 -6.836 1.00 0.00 O ATOM 691 CB LEU A 44 -5.343 -11.728 -5.001 1.00 0.00 C ATOM 692 CG LEU A 44 -4.900 -11.062 -3.703 1.00 0.00 C ATOM 693 CD1 LEU A 44 -4.846 -9.549 -3.854 1.00 0.00 C ATOM 694 CD2 LEU A 44 -5.831 -11.460 -2.574 1.00 0.00 C ATOM 0 H LEU A 44 -2.405 -11.754 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.643 -12.632 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.151 -11.136 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.758 -12.707 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.893 -11.404 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.527 -9.101 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.137 -9.287 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.835 -9.174 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.508 -10.980 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.847 -11.144 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.808 -12.542 -2.448 1.00 0.00 H new ATOM 706 N THR A 45 -4.998 -10.029 -7.396 1.00 0.00 N ATOM 707 CA THR A 45 -4.819 -8.861 -8.244 1.00 0.00 C ATOM 708 C THR A 45 -5.056 -7.555 -7.487 1.00 0.00 C ATOM 709 O THR A 45 -6.129 -7.330 -6.920 1.00 0.00 O ATOM 710 CB THR A 45 -5.757 -8.926 -9.465 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.524 -10.145 -10.183 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.543 -7.737 -10.396 1.00 0.00 C ATOM 0 H THR A 45 -5.964 -10.343 -7.307 1.00 0.00 H new ATOM 0 HA THR A 45 -3.782 -8.872 -8.579 1.00 0.00 H new ATOM 0 HB THR A 45 -6.785 -8.894 -9.105 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.122 -10.187 -10.959 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.220 -7.814 -11.246 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.743 -6.811 -9.856 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.513 -7.734 -10.752 1.00 0.00 H new ATOM 720 N ILE A 46 -4.036 -6.706 -7.484 1.00 0.00 N ATOM 721 CA ILE A 46 -4.127 -5.378 -6.909 1.00 0.00 C ATOM 722 C ILE A 46 -4.282 -4.354 -8.020 1.00 0.00 C ATOM 723 O ILE A 46 -3.575 -4.410 -9.029 1.00 0.00 O ATOM 724 CB ILE A 46 -2.869 -5.006 -6.094 1.00 0.00 C ATOM 725 CG1 ILE A 46 -2.644 -5.993 -4.942 1.00 0.00 C ATOM 726 CG2 ILE A 46 -2.991 -3.581 -5.567 1.00 0.00 C ATOM 727 CD1 ILE A 46 -3.794 -6.064 -3.970 1.00 0.00 C ATOM 0 H ILE A 46 -3.122 -6.923 -7.882 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.989 -5.377 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.003 -5.064 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.468 -6.986 -5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.741 -5.708 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.099 -3.328 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.092 -2.891 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.869 -3.504 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.562 -6.782 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.957 -5.081 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.695 -6.380 -4.495 1.00 0.00 H new ATOM 739 N GLY A 47 -5.197 -3.423 -7.835 1.00 0.00 N ATOM 740 CA GLY A 47 -5.398 -2.399 -8.827 1.00 0.00 C ATOM 741 C GLY A 47 -4.522 -1.187 -8.602 1.00 0.00 C ATOM 742 O GLY A 47 -3.974 -0.994 -7.519 1.00 0.00 O ATOM 0 H GLY A 47 -5.803 -3.358 -7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.194 -2.811 -9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.444 -2.092 -8.820 1.00 0.00 H new ATOM 746 N GLU A 48 -4.429 -0.361 -9.627 1.00 0.00 N ATOM 747 CA GLU A 48 -3.591 0.834 -9.604 1.00 0.00 C ATOM 748 C GLU A 48 -4.245 1.976 -8.833 1.00 0.00 C ATOM 749 O GLU A 48 -5.377 1.857 -8.345 1.00 0.00 O ATOM 750 CB GLU A 48 -3.276 1.276 -11.041 1.00 0.00 C ATOM 751 CG GLU A 48 -4.434 1.110 -12.025 1.00 0.00 C ATOM 752 CD GLU A 48 -5.677 1.901 -11.655 1.00 0.00 C ATOM 753 OE1 GLU A 48 -5.767 3.085 -12.036 1.00 0.00 O ATOM 754 OE2 GLU A 48 -6.576 1.333 -10.995 1.00 0.00 O ATOM 0 H GLU A 48 -4.932 -0.496 -10.504 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.665 0.581 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.975 2.324 -11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.422 0.704 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.102 1.418 -13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.694 0.053 -12.090 1.00 0.00 H new ATOM 761 N TYR A 49 -3.513 3.075 -8.716 1.00 0.00 N ATOM 762 CA TYR A 49 -4.038 4.277 -8.092 1.00 0.00 C ATOM 763 C TYR A 49 -4.946 5.010 -9.070 1.00 0.00 C ATOM 764 O TYR A 49 -4.481 5.790 -9.906 1.00 0.00 O ATOM 765 CB TYR A 49 -2.915 5.210 -7.624 1.00 0.00 C ATOM 766 CG TYR A 49 -3.404 6.268 -6.659 1.00 0.00 C ATOM 767 CD1 TYR A 49 -3.524 5.977 -5.311 1.00 0.00 C ATOM 768 CD2 TYR A 49 -3.774 7.536 -7.092 1.00 0.00 C ATOM 769 CE1 TYR A 49 -3.999 6.910 -4.410 1.00 0.00 C ATOM 770 CE2 TYR A 49 -4.252 8.479 -6.200 1.00 0.00 C ATOM 771 CZ TYR A 49 -4.365 8.162 -4.860 1.00 0.00 C ATOM 772 OH TYR A 49 -4.853 9.100 -3.978 1.00 0.00 O ATOM 0 H TYR A 49 -2.552 3.157 -9.047 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.608 3.976 -7.213 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.133 4.620 -7.146 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.464 5.694 -8.491 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.240 4.998 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.687 7.788 -8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.083 6.662 -3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.536 9.460 -6.550 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.206 9.237 -3.255 1.00 0.00 H new ATOM 782 N SER A 50 -6.237 4.719 -8.971 1.00 0.00 N ATOM 783 CA SER A 50 -7.252 5.357 -9.798 1.00 0.00 C ATOM 784 C SER A 50 -7.122 6.873 -9.794 1.00 0.00 C ATOM 785 O SER A 50 -6.856 7.500 -8.768 1.00 0.00 O ATOM 786 CB SER A 50 -8.638 4.943 -9.317 1.00 0.00 C ATOM 787 OG SER A 50 -9.623 5.901 -9.653 1.00 0.00 O ATOM 0 H SER A 50 -6.610 4.033 -8.314 1.00 0.00 H new ATOM 0 HA SER A 50 -7.105 5.024 -10.826 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.902 3.981 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.620 4.805 -8.236 1.00 0.00 H new ATOM 0 HG SER A 50 -9.791 5.872 -10.618 1.00 0.00 H new ATOM 793 N GLU A 51 -7.303 7.451 -10.961 1.00 0.00 N ATOM 794 CA GLU A 51 -7.204 8.886 -11.133 1.00 0.00 C ATOM 795 C GLU A 51 -8.424 9.598 -10.543 1.00 0.00 C ATOM 796 O GLU A 51 -8.419 10.819 -10.378 1.00 0.00 O ATOM 797 CB GLU A 51 -7.040 9.214 -12.616 1.00 0.00 C ATOM 798 CG GLU A 51 -6.697 10.665 -12.887 1.00 0.00 C ATOM 799 CD GLU A 51 -6.365 10.920 -14.338 1.00 0.00 C ATOM 800 OE1 GLU A 51 -7.299 11.047 -15.155 1.00 0.00 O ATOM 801 OE2 GLU A 51 -5.165 10.990 -14.671 1.00 0.00 O ATOM 0 H GLU A 51 -7.523 6.942 -11.817 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.328 9.245 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.257 8.581 -13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.964 8.965 -13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.537 11.294 -12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.849 10.956 -12.267 1.00 0.00 H new ATOM 808 N ARG A 52 -9.475 8.843 -10.230 1.00 0.00 N ATOM 809 CA ARG A 52 -10.689 9.445 -9.704 1.00 0.00 C ATOM 810 C ARG A 52 -10.840 9.228 -8.191 1.00 0.00 C ATOM 811 O ARG A 52 -11.186 10.164 -7.475 1.00 0.00 O ATOM 812 CB ARG A 52 -11.926 8.973 -10.483 1.00 0.00 C ATOM 813 CG ARG A 52 -12.225 7.490 -10.370 1.00 0.00 C ATOM 814 CD ARG A 52 -13.272 7.204 -9.306 1.00 0.00 C ATOM 815 NE ARG A 52 -14.573 7.788 -9.642 1.00 0.00 N ATOM 816 CZ ARG A 52 -15.723 7.113 -9.642 1.00 0.00 C ATOM 817 NH1 ARG A 52 -15.752 5.830 -9.298 1.00 0.00 N ATOM 818 NH2 ARG A 52 -16.851 7.733 -9.972 1.00 0.00 N ATOM 0 H ARG A 52 -9.508 7.829 -10.331 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.604 10.522 -9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.794 9.531 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.791 9.222 -11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.573 7.115 -11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.308 6.952 -10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.380 6.126 -9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.933 7.601 -8.349 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.601 8.776 -9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.890 5.354 -9.031 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.636 5.321 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.835 8.721 -10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.733 7.221 -9.973 1.00 0.00 H new ATOM 832 N GLU A 53 -10.589 8.015 -7.694 1.00 0.00 N ATOM 833 CA GLU A 53 -10.632 7.784 -6.244 1.00 0.00 C ATOM 834 C GLU A 53 -9.280 7.336 -5.709 1.00 0.00 C ATOM 835 O GLU A 53 -8.929 7.599 -4.565 1.00 0.00 O ATOM 836 CB GLU A 53 -11.663 6.713 -5.884 1.00 0.00 C ATOM 837 CG GLU A 53 -13.074 7.235 -5.732 1.00 0.00 C ATOM 838 CD GLU A 53 -14.068 6.126 -5.464 1.00 0.00 C ATOM 839 OE1 GLU A 53 -13.998 5.504 -4.387 1.00 0.00 O ATOM 840 OE2 GLU A 53 -14.913 5.856 -6.339 1.00 0.00 O ATOM 0 H GLU A 53 -10.359 7.195 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.909 8.735 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.654 5.943 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.363 6.235 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.107 7.955 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.362 7.768 -6.638 1.00 0.00 H new ATOM 847 N GLY A 54 -8.530 6.684 -6.580 1.00 0.00 N ATOM 848 CA GLY A 54 -7.220 6.142 -6.255 1.00 0.00 C ATOM 849 C GLY A 54 -7.182 5.223 -5.049 1.00 0.00 C ATOM 850 O GLY A 54 -6.110 4.848 -4.606 1.00 0.00 O ATOM 0 H GLY A 54 -8.816 6.513 -7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.846 5.595 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.534 6.971 -6.081 1.00 0.00 H new ATOM 854 N TYR A 55 -8.325 4.810 -4.537 1.00 0.00 N ATOM 855 CA TYR A 55 -8.329 3.945 -3.366 1.00 0.00 C ATOM 856 C TYR A 55 -9.124 2.678 -3.621 1.00 0.00 C ATOM 857 O TYR A 55 -9.302 1.863 -2.722 1.00 0.00 O ATOM 858 CB TYR A 55 -8.892 4.680 -2.153 1.00 0.00 C ATOM 859 CG TYR A 55 -8.206 5.999 -1.860 1.00 0.00 C ATOM 860 CD1 TYR A 55 -6.818 6.115 -1.862 1.00 0.00 C ATOM 861 CD2 TYR A 55 -8.952 7.134 -1.586 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.202 7.320 -1.597 1.00 0.00 C ATOM 863 CE2 TYR A 55 -8.340 8.342 -1.318 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.966 8.430 -1.323 1.00 0.00 C ATOM 865 OH TYR A 55 -6.354 9.630 -1.041 1.00 0.00 O ATOM 0 H TYR A 55 -9.247 5.051 -4.901 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.296 3.665 -3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.955 4.862 -2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.807 4.035 -1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.213 5.246 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.030 7.073 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.124 7.392 -1.605 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.938 9.216 -1.105 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.434 9.615 -1.377 1.00 0.00 H new ATOM 875 N LYS A 56 -9.601 2.519 -4.851 1.00 0.00 N ATOM 876 CA LYS A 56 -10.438 1.375 -5.194 1.00 0.00 C ATOM 877 C LYS A 56 -9.735 0.042 -4.943 1.00 0.00 C ATOM 878 O LYS A 56 -10.361 -0.917 -4.495 1.00 0.00 O ATOM 879 CB LYS A 56 -10.953 1.457 -6.645 1.00 0.00 C ATOM 880 CG LYS A 56 -10.105 2.295 -7.605 1.00 0.00 C ATOM 881 CD LYS A 56 -8.781 1.638 -7.982 1.00 0.00 C ATOM 882 CE LYS A 56 -8.979 0.347 -8.767 1.00 0.00 C ATOM 883 NZ LYS A 56 -7.686 -0.245 -9.203 1.00 0.00 N ATOM 0 H LYS A 56 -9.424 3.163 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.299 1.418 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.026 0.445 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.963 1.867 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.678 2.484 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.903 3.264 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.188 2.334 -8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.212 1.427 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.518 -0.373 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.599 0.546 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.822 -1.252 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.346 0.251 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.985 -0.148 -8.441 1.00 0.00 H new ATOM 897 N GLY A 57 -8.430 -0.005 -5.222 1.00 0.00 N ATOM 898 CA GLY A 57 -7.647 -1.225 -5.053 1.00 0.00 C ATOM 899 C GLY A 57 -8.120 -2.396 -5.907 1.00 0.00 C ATOM 900 O GLY A 57 -7.470 -3.444 -5.932 1.00 0.00 O ATOM 0 H GLY A 57 -7.895 0.792 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.606 -1.011 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.677 -1.520 -4.004 1.00 0.00 H new ATOM 904 N SER A 58 -9.231 -2.206 -6.615 1.00 0.00 N ATOM 905 CA SER A 58 -9.898 -3.272 -7.357 1.00 0.00 C ATOM 906 C SER A 58 -10.520 -4.272 -6.384 1.00 0.00 C ATOM 907 O SER A 58 -11.725 -4.226 -6.133 1.00 0.00 O ATOM 908 CB SER A 58 -8.945 -3.950 -8.345 1.00 0.00 C ATOM 909 OG SER A 58 -8.440 -3.006 -9.280 1.00 0.00 O ATOM 0 H SER A 58 -9.697 -1.302 -6.690 1.00 0.00 H new ATOM 0 HA SER A 58 -10.699 -2.834 -7.953 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.119 -4.412 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.467 -4.749 -8.872 1.00 0.00 H new ATOM 0 HG SER A 58 -9.180 -2.476 -9.642 1.00 0.00 H new ATOM 915 N GLU A 59 -9.717 -5.167 -5.828 1.00 0.00 N ATOM 916 CA GLU A 59 -10.207 -6.031 -4.769 1.00 0.00 C ATOM 917 C GLU A 59 -9.431 -5.810 -3.478 1.00 0.00 C ATOM 918 O GLU A 59 -9.899 -6.165 -2.402 1.00 0.00 O ATOM 919 CB GLU A 59 -10.165 -7.500 -5.166 1.00 0.00 C ATOM 920 CG GLU A 59 -10.878 -8.376 -4.155 1.00 0.00 C ATOM 921 CD GLU A 59 -10.986 -9.822 -4.589 1.00 0.00 C ATOM 922 OE1 GLU A 59 -11.896 -10.142 -5.385 1.00 0.00 O ATOM 923 OE2 GLU A 59 -10.177 -10.649 -4.129 1.00 0.00 O ATOM 0 H GLU A 59 -8.741 -5.312 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.250 -5.763 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.627 -7.625 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.128 -7.822 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.347 -8.328 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.879 -7.980 -3.982 1.00 0.00 H new ATOM 930 N TYR A 60 -8.245 -5.229 -3.581 1.00 0.00 N ATOM 931 CA TYR A 60 -7.457 -4.919 -2.398 1.00 0.00 C ATOM 932 C TYR A 60 -6.715 -3.613 -2.569 1.00 0.00 C ATOM 933 O TYR A 60 -5.982 -3.422 -3.537 1.00 0.00 O ATOM 934 CB TYR A 60 -6.471 -6.041 -2.064 1.00 0.00 C ATOM 935 CG TYR A 60 -7.088 -7.143 -1.239 1.00 0.00 C ATOM 936 CD1 TYR A 60 -7.132 -7.034 0.134 1.00 0.00 C ATOM 937 CD2 TYR A 60 -7.642 -8.274 -1.824 1.00 0.00 C ATOM 938 CE1 TYR A 60 -7.706 -8.010 0.918 1.00 0.00 C ATOM 939 CE2 TYR A 60 -8.224 -9.261 -1.051 1.00 0.00 C ATOM 940 CZ TYR A 60 -8.254 -9.124 0.323 1.00 0.00 C ATOM 941 OH TYR A 60 -8.833 -10.101 1.101 1.00 0.00 O ATOM 0 H TYR A 60 -7.810 -4.964 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.154 -4.822 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.082 -6.463 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.622 -5.622 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.706 -6.162 0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.618 -8.384 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.726 -7.902 1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.653 -10.135 -1.519 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.173 -10.818 0.526 1.00 0.00 H new ATOM 951 N ALA A 61 -6.911 -2.722 -1.616 1.00 0.00 N ATOM 952 CA ALA A 61 -6.244 -1.440 -1.620 1.00 0.00 C ATOM 953 C ALA A 61 -5.097 -1.445 -0.619 1.00 0.00 C ATOM 954 O ALA A 61 -5.327 -1.409 0.592 1.00 0.00 O ATOM 955 CB ALA A 61 -7.244 -0.333 -1.291 1.00 0.00 C ATOM 0 H ALA A 61 -7.535 -2.868 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.833 -1.252 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.735 0.631 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.039 -0.327 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.673 -0.512 -0.305 1.00 0.00 H new ATOM 961 N PRO A 62 -3.844 -1.541 -1.099 1.00 0.00 N ATOM 962 CA PRO A 62 -2.677 -1.386 -0.235 1.00 0.00 C ATOM 963 C PRO A 62 -2.549 0.042 0.267 1.00 0.00 C ATOM 964 O PRO A 62 -2.411 0.983 -0.514 1.00 0.00 O ATOM 965 CB PRO A 62 -1.498 -1.745 -1.144 1.00 0.00 C ATOM 966 CG PRO A 62 -2.002 -1.541 -2.531 1.00 0.00 C ATOM 967 CD PRO A 62 -3.469 -1.856 -2.490 1.00 0.00 C ATOM 0 HA PRO A 62 -2.734 -2.011 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.636 -1.110 -0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -1.179 -2.776 -0.988 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.832 -0.516 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.483 -2.192 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.030 -1.253 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.663 -2.901 -2.732 1.00 0.00 H new ATOM 975 N THR A 63 -2.562 0.194 1.573 1.00 0.00 N ATOM 976 CA THR A 63 -2.531 1.504 2.180 1.00 0.00 C ATOM 977 C THR A 63 -1.386 1.605 3.167 1.00 0.00 C ATOM 978 O THR A 63 -0.864 0.594 3.636 1.00 0.00 O ATOM 979 CB THR A 63 -3.864 1.834 2.889 1.00 0.00 C ATOM 980 OG1 THR A 63 -4.131 0.892 3.934 1.00 0.00 O ATOM 981 CG2 THR A 63 -5.013 1.823 1.897 1.00 0.00 C ATOM 0 H THR A 63 -2.594 -0.579 2.237 1.00 0.00 H new ATOM 0 HA THR A 63 -2.382 2.230 1.381 1.00 0.00 H new ATOM 0 HB THR A 63 -3.772 2.830 3.323 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.474 0.166 3.896 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.943 2.057 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.832 2.568 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.091 0.836 1.441 1.00 0.00 H new ATOM 989 N TYR A 64 -1.001 2.821 3.472 1.00 0.00 N ATOM 990 CA TYR A 64 0.113 3.067 4.361 1.00 0.00 C ATOM 991 C TYR A 64 -0.353 3.892 5.544 1.00 0.00 C ATOM 992 O TYR A 64 -1.430 4.482 5.500 1.00 0.00 O ATOM 993 CB TYR A 64 1.219 3.814 3.619 1.00 0.00 C ATOM 994 CG TYR A 64 0.939 5.291 3.422 1.00 0.00 C ATOM 995 CD1 TYR A 64 -0.153 5.723 2.683 1.00 0.00 C ATOM 996 CD2 TYR A 64 1.772 6.249 3.980 1.00 0.00 C ATOM 997 CE1 TYR A 64 -0.406 7.065 2.502 1.00 0.00 C ATOM 998 CE2 TYR A 64 1.528 7.596 3.805 1.00 0.00 C ATOM 999 CZ TYR A 64 0.439 8.000 3.064 1.00 0.00 C ATOM 1000 OH TYR A 64 0.199 9.341 2.887 1.00 0.00 O ATOM 0 H TYR A 64 -1.447 3.665 3.114 1.00 0.00 H new ATOM 0 HA TYR A 64 0.504 2.113 4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.153 3.702 4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.367 3.349 2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.817 4.994 2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.626 5.936 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.261 7.383 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.187 8.329 4.246 1.00 0.00 H new ATOM 0 HH TYR A 64 0.667 9.851 3.581 1.00 0.00 H new ATOM 1010 N GLU A 65 0.449 3.925 6.588 1.00 0.00 N ATOM 1011 CA GLU A 65 0.162 4.773 7.727 1.00 0.00 C ATOM 1012 C GLU A 65 1.063 5.997 7.685 1.00 0.00 C ATOM 1013 O GLU A 65 2.289 5.882 7.771 1.00 0.00 O ATOM 1014 CB GLU A 65 0.355 4.017 9.040 1.00 0.00 C ATOM 1015 CG GLU A 65 -0.121 4.797 10.254 1.00 0.00 C ATOM 1016 CD GLU A 65 0.089 4.046 11.550 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.255 3.829 11.933 1.00 0.00 O ATOM 1018 OE2 GLU A 65 -0.909 3.680 12.204 1.00 0.00 O ATOM 0 H GLU A 65 1.304 3.375 6.672 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.881 5.086 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.184 3.071 8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.411 3.776 9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.409 5.748 10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.180 5.028 10.140 1.00 0.00 H new ATOM 1025 N ASP A 66 0.444 7.156 7.527 1.00 0.00 N ATOM 1026 CA ASP A 66 1.169 8.417 7.430 1.00 0.00 C ATOM 1027 C ASP A 66 1.483 8.950 8.831 1.00 0.00 C ATOM 1028 O ASP A 66 1.282 8.251 9.823 1.00 0.00 O ATOM 1029 CB ASP A 66 0.336 9.431 6.623 1.00 0.00 C ATOM 1030 CG ASP A 66 1.123 10.643 6.179 1.00 0.00 C ATOM 1031 OD1 ASP A 66 1.789 10.581 5.126 1.00 0.00 O ATOM 1032 OD2 ASP A 66 1.091 11.665 6.894 1.00 0.00 O ATOM 0 H ASP A 66 -0.569 7.251 7.462 1.00 0.00 H new ATOM 0 HA ASP A 66 2.114 8.257 6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.075 8.934 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.509 9.759 7.229 1.00 0.00 H new ATOM 1037 N LYS A 67 1.942 10.188 8.914 1.00 0.00 N ATOM 1038 CA LYS A 67 2.409 10.760 10.169 1.00 0.00 C ATOM 1039 C LYS A 67 1.266 10.926 11.167 1.00 0.00 C ATOM 1040 O LYS A 67 1.393 10.555 12.334 1.00 0.00 O ATOM 1041 CB LYS A 67 3.093 12.100 9.901 1.00 0.00 C ATOM 1042 CG LYS A 67 4.504 11.953 9.353 1.00 0.00 C ATOM 1043 CD LYS A 67 4.944 13.194 8.598 1.00 0.00 C ATOM 1044 CE LYS A 67 4.913 12.961 7.095 1.00 0.00 C ATOM 1045 NZ LYS A 67 3.606 12.418 6.638 1.00 0.00 N ATOM 0 H LYS A 67 2.002 10.823 8.118 1.00 0.00 H new ATOM 0 HA LYS A 67 3.130 10.073 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.493 12.672 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.128 12.675 10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.195 11.762 10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.549 11.089 8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.291 14.029 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.952 13.472 8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.115 13.900 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.709 12.269 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.713 12.009 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.286 11.681 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.903 13.184 6.608 1.00 0.00 H new ATOM 1059 N ASP A 68 0.144 11.458 10.696 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.019 11.685 11.553 1.00 0.00 C ATOM 1061 C ASP A 68 -1.816 10.391 11.745 1.00 0.00 C ATOM 1062 O ASP A 68 -2.777 10.342 12.513 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.906 12.782 10.949 1.00 0.00 C ATOM 1064 CG ASP A 68 -3.109 13.124 11.808 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -2.918 13.623 12.940 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -4.250 12.919 11.344 1.00 0.00 O ATOM 0 H ASP A 68 0.013 11.741 9.725 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.671 12.012 12.533 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.308 13.681 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.250 12.461 9.966 1.00 0.00 H new ATOM 1071 N GLY A 69 -1.387 9.336 11.067 1.00 0.00 N ATOM 1072 CA GLY A 69 -2.082 8.067 11.152 1.00 0.00 C ATOM 1073 C GLY A 69 -3.091 7.893 10.038 1.00 0.00 C ATOM 1074 O GLY A 69 -4.059 7.144 10.174 1.00 0.00 O ATOM 0 H GLY A 69 -0.568 9.336 10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.357 7.254 11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.589 7.996 12.114 1.00 0.00 H new ATOM 1078 N ASP A 70 -2.865 8.596 8.936 1.00 0.00 N ATOM 1079 CA ASP A 70 -3.734 8.495 7.769 1.00 0.00 C ATOM 1080 C ASP A 70 -3.458 7.207 7.019 1.00 0.00 C ATOM 1081 O ASP A 70 -2.302 6.818 6.861 1.00 0.00 O ATOM 1082 CB ASP A 70 -3.517 9.670 6.813 1.00 0.00 C ATOM 1083 CG ASP A 70 -3.836 11.009 7.431 1.00 0.00 C ATOM 1084 OD1 ASP A 70 -5.033 11.353 7.533 1.00 0.00 O ATOM 1085 OD2 ASP A 70 -2.890 11.732 7.810 1.00 0.00 O ATOM 0 H ASP A 70 -2.085 9.244 8.825 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.764 8.509 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.480 9.670 6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.138 9.529 5.928 1.00 0.00 H new ATOM 1090 N TRP A 71 -4.515 6.555 6.562 1.00 0.00 N ATOM 1091 CA TRP A 71 -4.375 5.367 5.737 1.00 0.00 C ATOM 1092 C TRP A 71 -4.926 5.634 4.345 1.00 0.00 C ATOM 1093 O TRP A 71 -6.124 5.842 4.175 1.00 0.00 O ATOM 1094 CB TRP A 71 -5.117 4.178 6.356 1.00 0.00 C ATOM 1095 CG TRP A 71 -4.585 3.756 7.691 1.00 0.00 C ATOM 1096 CD1 TRP A 71 -4.982 4.216 8.914 1.00 0.00 C ATOM 1097 CD2 TRP A 71 -3.563 2.785 7.939 1.00 0.00 C ATOM 1098 NE1 TRP A 71 -4.272 3.588 9.907 1.00 0.00 N ATOM 1099 CE2 TRP A 71 -3.392 2.706 9.334 1.00 0.00 C ATOM 1100 CE3 TRP A 71 -2.776 1.974 7.119 1.00 0.00 C ATOM 1101 CZ2 TRP A 71 -2.467 1.848 9.922 1.00 0.00 C ATOM 1102 CZ3 TRP A 71 -1.857 1.126 7.704 1.00 0.00 C ATOM 1103 CH2 TRP A 71 -1.709 1.067 9.094 1.00 0.00 C ATOM 0 H TRP A 71 -5.480 6.829 6.749 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.315 5.123 5.674 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.171 4.435 6.461 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.062 3.332 5.671 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.743 4.965 9.076 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -4.381 3.751 10.908 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.884 2.009 6.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.352 1.801 10.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.242 0.497 7.078 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.982 0.392 9.521 1.00 0.00 H new ATOM 1114 N MET A 72 -4.046 5.645 3.357 1.00 0.00 N ATOM 1115 CA MET A 72 -4.446 5.809 1.969 1.00 0.00 C ATOM 1116 C MET A 72 -3.571 4.925 1.100 1.00 0.00 C ATOM 1117 O MET A 72 -2.586 4.376 1.589 1.00 0.00 O ATOM 1118 CB MET A 72 -4.313 7.266 1.522 1.00 0.00 C ATOM 1119 CG MET A 72 -4.970 8.272 2.452 1.00 0.00 C ATOM 1120 SD MET A 72 -4.519 9.970 2.058 1.00 0.00 S ATOM 1121 CE MET A 72 -2.739 9.896 2.268 1.00 0.00 C ATOM 0 H MET A 72 -3.040 5.541 3.493 1.00 0.00 H new ATOM 0 HA MET A 72 -5.493 5.522 1.869 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.255 7.510 1.432 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.749 7.369 0.529 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.053 8.164 2.393 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.684 8.052 3.481 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.358 10.890 2.501 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.497 9.215 3.084 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.279 9.538 1.347 1.00 0.00 H new ATOM 1131 N LEU A 73 -3.923 4.775 -0.169 1.00 0.00 N ATOM 1132 CA LEU A 73 -3.152 3.935 -1.074 1.00 0.00 C ATOM 1133 C LEU A 73 -1.740 4.469 -1.251 1.00 0.00 C ATOM 1134 O LEU A 73 -1.488 5.671 -1.121 1.00 0.00 O ATOM 1135 CB LEU A 73 -3.811 3.869 -2.444 1.00 0.00 C ATOM 1136 CG LEU A 73 -3.796 2.495 -3.101 1.00 0.00 C ATOM 1137 CD1 LEU A 73 -4.829 1.617 -2.438 1.00 0.00 C ATOM 1138 CD2 LEU A 73 -4.060 2.594 -4.592 1.00 0.00 C ATOM 0 H LEU A 73 -4.735 5.223 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.114 2.940 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.846 4.198 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.311 4.577 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.807 2.056 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.823 0.632 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.596 1.518 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.816 2.066 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.043 1.597 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.037 3.047 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.290 3.209 -5.058 1.00 0.00 H new ATOM 1150 N VAL A 74 -0.824 3.569 -1.556 1.00 0.00 N ATOM 1151 CA VAL A 74 0.534 3.957 -1.874 1.00 0.00 C ATOM 1152 C VAL A 74 0.587 4.494 -3.293 1.00 0.00 C ATOM 1153 O VAL A 74 0.124 3.852 -4.233 1.00 0.00 O ATOM 1154 CB VAL A 74 1.534 2.799 -1.693 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.934 3.218 -2.119 1.00 0.00 C ATOM 1156 CG2 VAL A 74 1.539 2.348 -0.244 1.00 0.00 C ATOM 0 H VAL A 74 -0.997 2.564 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 74 0.832 4.737 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 74 1.222 1.969 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.621 2.383 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.923 3.510 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.262 4.062 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.247 1.529 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.832 3.181 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.541 2.010 0.035 1.00 0.00 H new ATOM 1166 N GLY A 75 1.151 5.679 -3.433 1.00 0.00 N ATOM 1167 CA GLY A 75 1.085 6.382 -4.688 1.00 0.00 C ATOM 1168 C GLY A 75 0.218 7.610 -4.570 1.00 0.00 C ATOM 1169 O GLY A 75 -0.006 8.322 -5.549 1.00 0.00 O ATOM 0 H GLY A 75 1.656 6.168 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.089 6.669 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.686 5.722 -5.459 1.00 0.00 H new ATOM 1173 N ASP A 76 -0.290 7.845 -3.361 1.00 0.00 N ATOM 1174 CA ASP A 76 -1.063 9.051 -3.084 1.00 0.00 C ATOM 1175 C ASP A 76 -0.184 10.281 -3.270 1.00 0.00 C ATOM 1176 O ASP A 76 -0.566 11.237 -3.944 1.00 0.00 O ATOM 1177 CB ASP A 76 -1.630 9.029 -1.664 1.00 0.00 C ATOM 1178 CG ASP A 76 -2.590 10.175 -1.417 1.00 0.00 C ATOM 1179 OD1 ASP A 76 -3.783 10.033 -1.750 1.00 0.00 O ATOM 1180 OD2 ASP A 76 -2.159 11.227 -0.900 1.00 0.00 O ATOM 0 H ASP A 76 -0.180 7.219 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.898 9.089 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.144 8.083 -1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.811 9.081 -0.946 1.00 0.00 H new ATOM 1185 N VAL A 77 1.002 10.239 -2.679 1.00 0.00 N ATOM 1186 CA VAL A 77 1.993 11.285 -2.876 1.00 0.00 C ATOM 1187 C VAL A 77 3.192 10.696 -3.622 1.00 0.00 C ATOM 1188 O VAL A 77 3.387 9.480 -3.602 1.00 0.00 O ATOM 1189 CB VAL A 77 2.450 11.917 -1.532 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.252 12.212 -0.644 1.00 0.00 C ATOM 1191 CG2 VAL A 77 3.445 11.032 -0.799 1.00 0.00 C ATOM 0 H VAL A 77 1.301 9.488 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 77 1.539 12.083 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 77 2.954 12.854 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.593 12.654 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.585 12.908 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.718 11.285 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.739 11.511 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.984 10.068 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.326 10.882 -1.422 1.00 0.00 H new ATOM 1201 N PRO A 78 3.982 11.538 -4.313 1.00 0.00 N ATOM 1202 CA PRO A 78 5.143 11.086 -5.095 1.00 0.00 C ATOM 1203 C PRO A 78 6.083 10.163 -4.318 1.00 0.00 C ATOM 1204 O PRO A 78 6.443 10.449 -3.172 1.00 0.00 O ATOM 1205 CB PRO A 78 5.855 12.388 -5.451 1.00 0.00 C ATOM 1206 CG PRO A 78 4.775 13.409 -5.476 1.00 0.00 C ATOM 1207 CD PRO A 78 3.794 12.997 -4.412 1.00 0.00 C ATOM 0 HA PRO A 78 4.832 10.492 -5.955 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.619 12.637 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.355 12.316 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.173 14.404 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.297 13.448 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.000 13.493 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.771 13.251 -4.690 1.00 0.00 H new ATOM 1215 N TRP A 79 6.460 9.064 -4.969 1.00 0.00 N ATOM 1216 CA TRP A 79 7.246 7.979 -4.377 1.00 0.00 C ATOM 1217 C TRP A 79 8.361 8.467 -3.451 1.00 0.00 C ATOM 1218 O TRP A 79 8.434 8.044 -2.296 1.00 0.00 O ATOM 1219 CB TRP A 79 7.842 7.145 -5.512 1.00 0.00 C ATOM 1220 CG TRP A 79 8.546 5.906 -5.063 1.00 0.00 C ATOM 1221 CD1 TRP A 79 9.894 5.713 -4.971 1.00 0.00 C ATOM 1222 CD2 TRP A 79 7.934 4.679 -4.655 1.00 0.00 C ATOM 1223 NE1 TRP A 79 10.157 4.439 -4.537 1.00 0.00 N ATOM 1224 CE2 TRP A 79 8.971 3.786 -4.335 1.00 0.00 C ATOM 1225 CE3 TRP A 79 6.609 4.250 -4.531 1.00 0.00 C ATOM 1226 CZ2 TRP A 79 8.724 2.489 -3.904 1.00 0.00 C ATOM 1227 CZ3 TRP A 79 6.368 2.968 -4.101 1.00 0.00 C ATOM 1228 CH2 TRP A 79 7.420 2.097 -3.791 1.00 0.00 C ATOM 0 H TRP A 79 6.222 8.898 -5.947 1.00 0.00 H new ATOM 0 HA TRP A 79 6.576 7.387 -3.754 1.00 0.00 H new ATOM 0 HB2 TRP A 79 7.044 6.866 -6.199 1.00 0.00 H new ATOM 0 HB3 TRP A 79 8.543 7.764 -6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 79 10.643 6.455 -5.206 1.00 0.00 H new ATOM 0 HE1 TRP A 79 11.085 4.043 -4.389 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.791 4.914 -4.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.533 1.815 -3.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 5.349 2.625 -4.000 1.00 0.00 H new ATOM 0 HH2 TRP A 79 7.196 1.095 -3.456 1.00 0.00 H new ATOM 1239 N ASP A 80 9.206 9.362 -3.957 1.00 0.00 N ATOM 1240 CA ASP A 80 10.381 9.835 -3.218 1.00 0.00 C ATOM 1241 C ASP A 80 10.017 10.341 -1.821 1.00 0.00 C ATOM 1242 O ASP A 80 10.709 10.045 -0.846 1.00 0.00 O ATOM 1243 CB ASP A 80 11.083 10.944 -4.005 1.00 0.00 C ATOM 1244 CG ASP A 80 12.303 11.493 -3.290 1.00 0.00 C ATOM 1245 OD1 ASP A 80 13.414 10.968 -3.511 1.00 0.00 O ATOM 1246 OD2 ASP A 80 12.163 12.467 -2.522 1.00 0.00 O ATOM 0 H ASP A 80 9.100 9.779 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 80 11.054 8.986 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.382 10.558 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.379 11.756 -4.187 1.00 0.00 H new ATOM 1251 N MET A 81 8.928 11.092 -1.724 1.00 0.00 N ATOM 1252 CA MET A 81 8.471 11.601 -0.435 1.00 0.00 C ATOM 1253 C MET A 81 7.637 10.554 0.287 1.00 0.00 C ATOM 1254 O MET A 81 7.575 10.527 1.517 1.00 0.00 O ATOM 1255 CB MET A 81 7.637 12.874 -0.608 1.00 0.00 C ATOM 1256 CG MET A 81 8.416 14.055 -1.162 1.00 0.00 C ATOM 1257 SD MET A 81 7.426 15.561 -1.245 1.00 0.00 S ATOM 1258 CE MET A 81 6.090 15.040 -2.318 1.00 0.00 C ATOM 0 H MET A 81 8.346 11.362 -2.517 1.00 0.00 H new ATOM 0 HA MET A 81 9.356 11.835 0.157 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.801 12.660 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.214 13.152 0.357 1.00 0.00 H new ATOM 0 HG2 MET A 81 9.291 14.234 -0.537 1.00 0.00 H new ATOM 0 HG3 MET A 81 8.781 13.809 -2.159 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.582 15.917 -2.719 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.493 14.447 -3.139 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.380 14.439 -1.750 1.00 0.00 H new ATOM 1268 N PHE A 82 7.004 9.689 -0.490 1.00 0.00 N ATOM 1269 CA PHE A 82 6.069 8.712 0.045 1.00 0.00 C ATOM 1270 C PHE A 82 6.758 7.739 0.985 1.00 0.00 C ATOM 1271 O PHE A 82 6.257 7.453 2.072 1.00 0.00 O ATOM 1272 CB PHE A 82 5.400 7.925 -1.086 1.00 0.00 C ATOM 1273 CG PHE A 82 4.143 7.248 -0.643 1.00 0.00 C ATOM 1274 CD1 PHE A 82 4.184 6.119 0.161 1.00 0.00 C ATOM 1275 CD2 PHE A 82 2.915 7.768 -1.002 1.00 0.00 C ATOM 1276 CE1 PHE A 82 3.016 5.532 0.600 1.00 0.00 C ATOM 1277 CE2 PHE A 82 1.747 7.182 -0.575 1.00 0.00 C ATOM 1278 CZ PHE A 82 1.795 6.068 0.228 1.00 0.00 C ATOM 0 H PHE A 82 7.123 9.644 -1.502 1.00 0.00 H new ATOM 0 HA PHE A 82 5.313 9.265 0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.174 8.601 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.097 7.178 -1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.137 5.697 0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.872 8.648 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.054 4.657 1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.794 7.596 -0.870 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.879 5.610 0.570 1.00 0.00 H new ATOM 1288 N VAL A 83 7.911 7.242 0.567 1.00 0.00 N ATOM 1289 CA VAL A 83 8.586 6.174 1.290 1.00 0.00 C ATOM 1290 C VAL A 83 8.947 6.606 2.705 1.00 0.00 C ATOM 1291 O VAL A 83 8.776 5.848 3.661 1.00 0.00 O ATOM 1292 CB VAL A 83 9.869 5.716 0.576 1.00 0.00 C ATOM 1293 CG1 VAL A 83 10.325 4.391 1.143 1.00 0.00 C ATOM 1294 CG2 VAL A 83 9.663 5.613 -0.924 1.00 0.00 C ATOM 0 H VAL A 83 8.400 7.561 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 83 7.883 5.342 1.327 1.00 0.00 H new ATOM 0 HB VAL A 83 10.642 6.464 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.234 4.071 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.525 4.501 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.545 3.644 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.589 5.287 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.874 4.890 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.377 6.588 -1.320 1.00 0.00 H new ATOM 1304 N THR A 84 9.435 7.826 2.837 1.00 0.00 N ATOM 1305 CA THR A 84 9.847 8.343 4.128 1.00 0.00 C ATOM 1306 C THR A 84 8.638 8.787 4.951 1.00 0.00 C ATOM 1307 O THR A 84 8.708 8.897 6.177 1.00 0.00 O ATOM 1308 CB THR A 84 10.835 9.508 3.951 1.00 0.00 C ATOM 1309 OG1 THR A 84 10.249 10.535 3.137 1.00 0.00 O ATOM 1310 CG2 THR A 84 12.119 9.015 3.299 1.00 0.00 C ATOM 0 H THR A 84 9.556 8.479 2.063 1.00 0.00 H new ATOM 0 HA THR A 84 10.349 7.541 4.669 1.00 0.00 H new ATOM 0 HB THR A 84 11.066 9.917 4.934 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.886 11.272 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.810 9.849 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.577 8.252 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.891 8.590 2.322 1.00 0.00 H new ATOM 1318 N SER A 85 7.523 9.016 4.266 1.00 0.00 N ATOM 1319 CA SER A 85 6.292 9.437 4.917 1.00 0.00 C ATOM 1320 C SER A 85 5.534 8.223 5.454 1.00 0.00 C ATOM 1321 O SER A 85 4.711 8.342 6.363 1.00 0.00 O ATOM 1322 CB SER A 85 5.422 10.216 3.922 1.00 0.00 C ATOM 1323 OG SER A 85 4.367 10.904 4.573 1.00 0.00 O ATOM 0 H SER A 85 7.449 8.916 3.254 1.00 0.00 H new ATOM 0 HA SER A 85 6.537 10.087 5.757 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.041 10.930 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.007 9.528 3.185 1.00 0.00 H new ATOM 0 HG SER A 85 3.548 10.369 4.524 1.00 0.00 H new ATOM 1329 N CYS A 86 5.825 7.056 4.891 1.00 0.00 N ATOM 1330 CA CYS A 86 5.165 5.823 5.295 1.00 0.00 C ATOM 1331 C CYS A 86 5.934 5.127 6.406 1.00 0.00 C ATOM 1332 O CYS A 86 7.158 4.994 6.348 1.00 0.00 O ATOM 1333 CB CYS A 86 5.014 4.885 4.102 1.00 0.00 C ATOM 1334 SG CYS A 86 4.356 3.254 4.525 1.00 0.00 S ATOM 0 H CYS A 86 6.517 6.939 4.151 1.00 0.00 H new ATOM 0 HA CYS A 86 4.176 6.083 5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.357 5.351 3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 86 5.987 4.760 3.626 1.00 0.00 H new ATOM 0 HG CYS A 86 3.506 3.369 5.502 1.00 0.00 H new ATOM 1340 N LYS A 87 5.208 4.704 7.425 1.00 0.00 N ATOM 1341 CA LYS A 87 5.816 4.040 8.569 1.00 0.00 C ATOM 1342 C LYS A 87 5.234 2.642 8.788 1.00 0.00 C ATOM 1343 O LYS A 87 5.914 1.750 9.292 1.00 0.00 O ATOM 1344 CB LYS A 87 5.698 4.913 9.822 1.00 0.00 C ATOM 1345 CG LYS A 87 4.280 5.247 10.247 1.00 0.00 C ATOM 1346 CD LYS A 87 4.272 6.500 11.107 1.00 0.00 C ATOM 1347 CE LYS A 87 2.984 6.657 11.892 1.00 0.00 C ATOM 1348 NZ LYS A 87 2.845 5.618 12.945 1.00 0.00 N ATOM 0 H LYS A 87 4.195 4.808 7.486 1.00 0.00 H new ATOM 0 HA LYS A 87 6.876 3.904 8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.197 4.405 10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.237 5.844 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.654 5.397 9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.853 4.412 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.114 6.467 11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.415 7.374 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.957 7.645 12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.135 6.599 11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.187 5.952 13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.477 4.742 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.774 5.431 13.373 1.00 0.00 H new ATOM 1362 N ARG A 88 3.975 2.457 8.407 1.00 0.00 N ATOM 1363 CA ARG A 88 3.322 1.153 8.491 1.00 0.00 C ATOM 1364 C ARG A 88 2.468 0.916 7.258 1.00 0.00 C ATOM 1365 O ARG A 88 2.216 1.840 6.488 1.00 0.00 O ATOM 1366 CB ARG A 88 2.442 1.053 9.735 1.00 0.00 C ATOM 1367 CG ARG A 88 3.207 1.197 11.032 1.00 0.00 C ATOM 1368 CD ARG A 88 2.293 1.010 12.227 1.00 0.00 C ATOM 1369 NE ARG A 88 3.021 1.011 13.493 1.00 0.00 N ATOM 1370 CZ ARG A 88 2.699 1.782 14.532 1.00 0.00 C ATOM 1371 NH1 ARG A 88 1.767 2.722 14.406 1.00 0.00 N ATOM 1372 NH2 ARG A 88 3.332 1.641 15.687 1.00 0.00 N ATOM 0 H ARG A 88 3.382 3.198 8.034 1.00 0.00 H new ATOM 0 HA ARG A 88 4.103 0.395 8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.673 1.824 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.929 0.091 9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.012 0.463 11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.672 2.182 11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.548 1.806 12.239 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.752 0.069 12.123 1.00 0.00 H new ATOM 0 HE ARG A 88 3.822 0.386 13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.295 2.856 13.512 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.524 3.309 15.204 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.068 0.941 15.783 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.084 2.232 16.480 1.00 0.00 H new ATOM 1386 N LEU A 89 2.029 -0.319 7.075 1.00 0.00 N ATOM 1387 CA LEU A 89 1.315 -0.702 5.875 1.00 0.00 C ATOM 1388 C LEU A 89 0.106 -1.584 6.198 1.00 0.00 C ATOM 1389 O LEU A 89 0.165 -2.455 7.058 1.00 0.00 O ATOM 1390 CB LEU A 89 2.289 -1.460 4.981 1.00 0.00 C ATOM 1391 CG LEU A 89 1.992 -1.452 3.490 1.00 0.00 C ATOM 1392 CD1 LEU A 89 2.217 -0.064 2.912 1.00 0.00 C ATOM 1393 CD2 LEU A 89 2.871 -2.469 2.791 1.00 0.00 C ATOM 0 H LEU A 89 2.157 -1.075 7.748 1.00 0.00 H new ATOM 0 HA LEU A 89 0.937 0.190 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.285 -1.044 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.323 -2.497 5.316 1.00 0.00 H new ATOM 0 HG LEU A 89 0.947 -1.720 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.000 -0.075 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.558 0.648 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.254 0.232 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.657 -2.462 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.919 -2.216 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.671 -3.462 3.195 1.00 0.00 H new ATOM 1405 N ARG A 90 -1.001 -1.332 5.530 1.00 0.00 N ATOM 1406 CA ARG A 90 -2.148 -2.220 5.608 1.00 0.00 C ATOM 1407 C ARG A 90 -2.776 -2.382 4.240 1.00 0.00 C ATOM 1408 O ARG A 90 -3.059 -1.407 3.562 1.00 0.00 O ATOM 1409 CB ARG A 90 -3.198 -1.716 6.601 1.00 0.00 C ATOM 1410 CG ARG A 90 -4.488 -2.520 6.549 1.00 0.00 C ATOM 1411 CD ARG A 90 -5.479 -2.099 7.618 1.00 0.00 C ATOM 1412 NE ARG A 90 -5.710 -0.652 7.626 1.00 0.00 N ATOM 1413 CZ ARG A 90 -6.731 -0.064 8.252 1.00 0.00 C ATOM 1414 NH1 ARG A 90 -7.646 -0.799 8.864 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -6.841 1.258 8.256 1.00 0.00 N ATOM 0 H ARG A 90 -1.133 -0.520 4.926 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.788 -3.185 5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.788 -1.759 7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.418 -0.669 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.946 -2.402 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.258 -3.579 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.426 -2.615 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.110 -2.411 8.595 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.051 -0.059 7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.571 -1.816 8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.426 -0.348 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.143 1.829 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.623 1.703 8.736 1.00 0.00 H new ATOM 1429 N ILE A 91 -2.991 -3.607 3.836 1.00 0.00 N ATOM 1430 CA ILE A 91 -3.667 -3.886 2.587 1.00 0.00 C ATOM 1431 C ILE A 91 -5.009 -4.500 2.914 1.00 0.00 C ATOM 1432 O ILE A 91 -5.125 -5.268 3.867 1.00 0.00 O ATOM 1433 CB ILE A 91 -2.843 -4.809 1.678 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -1.379 -4.337 1.690 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -3.411 -4.830 0.256 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -0.434 -5.179 0.868 1.00 0.00 C ATOM 0 H ILE A 91 -2.706 -4.437 4.356 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.799 -2.957 2.032 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.893 -5.831 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.340 -3.311 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.026 -4.322 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.809 -5.491 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.439 -5.191 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.390 -3.822 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.573 -4.769 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.436 -6.202 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.756 -5.175 -0.173 1.00 0.00 H new ATOM 1448 N MET A 92 -6.034 -4.095 2.206 1.00 0.00 N ATOM 1449 CA MET A 92 -7.382 -4.485 2.586 1.00 0.00 C ATOM 1450 C MET A 92 -8.364 -4.459 1.434 1.00 0.00 C ATOM 1451 O MET A 92 -8.246 -3.665 0.504 1.00 0.00 O ATOM 1452 CB MET A 92 -7.862 -3.610 3.728 1.00 0.00 C ATOM 1453 CG MET A 92 -7.473 -2.142 3.597 1.00 0.00 C ATOM 1454 SD MET A 92 -8.073 -1.148 4.975 1.00 0.00 S ATOM 1455 CE MET A 92 -7.303 0.425 4.606 1.00 0.00 C ATOM 0 H MET A 92 -5.971 -3.505 1.376 1.00 0.00 H new ATOM 0 HA MET A 92 -7.336 -5.525 2.911 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.948 -3.682 3.794 1.00 0.00 H new ATOM 0 HB3 MET A 92 -7.459 -3.999 4.663 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.388 -2.060 3.539 1.00 0.00 H new ATOM 0 HG3 MET A 92 -7.873 -1.745 2.664 1.00 0.00 H new ATOM 0 HE1 MET A 92 -7.903 1.232 5.027 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.304 0.452 5.040 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.233 0.551 3.526 1.00 0.00 H new ATOM 1465 N LYS A 93 -9.316 -5.381 1.526 1.00 0.00 N ATOM 1466 CA LYS A 93 -10.318 -5.629 0.495 1.00 0.00 C ATOM 1467 C LYS A 93 -11.031 -4.357 0.044 1.00 0.00 C ATOM 1468 O LYS A 93 -11.253 -3.431 0.825 1.00 0.00 O ATOM 1469 CB LYS A 93 -11.331 -6.637 1.029 1.00 0.00 C ATOM 1470 CG LYS A 93 -11.906 -7.527 -0.051 1.00 0.00 C ATOM 1471 CD LYS A 93 -12.668 -8.714 0.524 1.00 0.00 C ATOM 1472 CE LYS A 93 -13.824 -8.278 1.407 1.00 0.00 C ATOM 1473 NZ LYS A 93 -14.641 -9.432 1.860 1.00 0.00 N ATOM 0 H LYS A 93 -9.415 -5.991 2.338 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.806 -6.024 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.853 -7.258 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.143 -6.102 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -12.573 -6.942 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -11.099 -7.890 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -13.048 -9.330 -0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -11.985 -9.336 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.437 -7.745 2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -14.456 -7.579 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.419 -9.092 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.032 -9.927 1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.045 -10.087 2.405 1.00 0.00 H new ATOM 1487 N GLY A 94 -11.408 -4.353 -1.237 1.00 0.00 N ATOM 1488 CA GLY A 94 -11.975 -3.177 -1.877 1.00 0.00 C ATOM 1489 C GLY A 94 -13.277 -2.734 -1.262 1.00 0.00 C ATOM 1490 O GLY A 94 -13.627 -1.556 -1.301 1.00 0.00 O ATOM 0 H GLY A 94 -11.327 -5.163 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.257 -2.359 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.134 -3.388 -2.934 1.00 0.00 H new ATOM 1494 N THR A 95 -13.989 -3.685 -0.699 1.00 0.00 N ATOM 1495 CA THR A 95 -15.249 -3.409 -0.024 1.00 0.00 C ATOM 1496 C THR A 95 -15.022 -2.610 1.258 1.00 0.00 C ATOM 1497 O THR A 95 -15.954 -2.047 1.823 1.00 0.00 O ATOM 1498 CB THR A 95 -15.989 -4.712 0.318 1.00 0.00 C ATOM 1499 OG1 THR A 95 -15.132 -5.569 1.083 1.00 0.00 O ATOM 1500 CG2 THR A 95 -16.439 -5.431 -0.943 1.00 0.00 C ATOM 0 H THR A 95 -13.717 -4.668 -0.693 1.00 0.00 H new ATOM 0 HA THR A 95 -15.859 -2.820 -0.709 1.00 0.00 H new ATOM 0 HB THR A 95 -16.873 -4.460 0.903 1.00 0.00 H new ATOM 0 HG1 THR A 95 -15.036 -5.211 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.960 -6.349 -0.672 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.111 -4.786 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.569 -5.674 -1.554 1.00 0.00 H new ATOM 1508 N GLU A 96 -13.780 -2.585 1.723 1.00 0.00 N ATOM 1509 CA GLU A 96 -13.429 -1.876 2.943 1.00 0.00 C ATOM 1510 C GLU A 96 -12.763 -0.541 2.612 1.00 0.00 C ATOM 1511 O GLU A 96 -12.438 0.240 3.508 1.00 0.00 O ATOM 1512 CB GLU A 96 -12.488 -2.727 3.802 1.00 0.00 C ATOM 1513 CG GLU A 96 -12.933 -4.176 3.967 1.00 0.00 C ATOM 1514 CD GLU A 96 -14.355 -4.312 4.478 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -14.591 -4.075 5.682 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -15.243 -4.668 3.675 1.00 0.00 O ATOM 0 H GLU A 96 -12.995 -3.052 1.269 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.344 -1.684 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.494 -2.712 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.402 -2.270 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.849 -4.686 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.256 -4.680 4.657 1.00 0.00 H new ATOM 1523 N ALA A 97 -12.572 -0.283 1.320 1.00 0.00 N ATOM 1524 CA ALA A 97 -11.806 0.878 0.858 1.00 0.00 C ATOM 1525 C ALA A 97 -12.392 2.211 1.325 1.00 0.00 C ATOM 1526 O ALA A 97 -11.656 3.178 1.532 1.00 0.00 O ATOM 1527 CB ALA A 97 -11.681 0.856 -0.656 1.00 0.00 C ATOM 0 H ALA A 97 -12.939 -0.866 0.568 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.817 0.800 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.110 1.724 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.169 -0.055 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.674 0.884 -1.104 1.00 0.00 H new ATOM 1533 N LYS A 98 -13.703 2.267 1.508 1.00 0.00 N ATOM 1534 CA LYS A 98 -14.345 3.491 1.986 1.00 0.00 C ATOM 1535 C LYS A 98 -13.794 3.897 3.353 1.00 0.00 C ATOM 1536 O LYS A 98 -13.837 5.071 3.727 1.00 0.00 O ATOM 1537 CB LYS A 98 -15.872 3.340 2.067 1.00 0.00 C ATOM 1538 CG LYS A 98 -16.376 2.439 3.193 1.00 0.00 C ATOM 1539 CD LYS A 98 -16.323 0.959 2.835 1.00 0.00 C ATOM 1540 CE LYS A 98 -17.198 0.633 1.633 1.00 0.00 C ATOM 1541 NZ LYS A 98 -18.616 1.028 1.834 1.00 0.00 N ATOM 0 H LYS A 98 -14.341 1.490 1.336 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.118 4.273 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.313 4.329 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.233 2.945 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.777 2.613 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.402 2.712 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.293 0.674 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.647 0.367 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.804 1.142 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.148 -0.437 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.200 0.622 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.948 0.674 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.694 2.065 1.813 1.00 0.00 H new ATOM 1555 N GLY A 99 -13.259 2.923 4.080 1.00 0.00 N ATOM 1556 CA GLY A 99 -12.739 3.173 5.403 1.00 0.00 C ATOM 1557 C GLY A 99 -11.423 3.927 5.395 1.00 0.00 C ATOM 1558 O GLY A 99 -11.059 4.547 6.392 1.00 0.00 O ATOM 0 H GLY A 99 -13.178 1.955 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.473 3.742 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.603 2.222 5.918 1.00 0.00 H new ATOM 1562 N LEU A 100 -10.696 3.873 4.283 1.00 0.00 N ATOM 1563 CA LEU A 100 -9.422 4.578 4.189 1.00 0.00 C ATOM 1564 C LEU A 100 -9.567 5.846 3.359 1.00 0.00 C ATOM 1565 O LEU A 100 -8.821 6.810 3.527 1.00 0.00 O ATOM 1566 CB LEU A 100 -8.382 3.678 3.527 1.00 0.00 C ATOM 1567 CG LEU A 100 -8.572 3.519 2.020 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -7.464 4.231 1.262 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -8.634 2.052 1.629 1.00 0.00 C ATOM 0 H LEU A 100 -10.962 3.356 3.445 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.105 4.843 5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.389 4.085 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.417 2.694 3.994 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.523 3.979 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.618 4.106 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.478 5.293 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.500 3.806 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.770 1.968 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.706 1.559 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.471 1.575 2.138 1.00 0.00 H new