USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 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 Single : A 11 MET CE :methyl -157:sc= -0.838 (180deg=-2.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 1.1 K(o=1.1,f=-0.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00647 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 26:sc= -4.67! USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 39 THR OG1 : rot -150:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0305 K(o=-0.031,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.2) USER MOD Single : A 61 SER OG : rot -29:sc= -0.517! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot -117:sc= -0.153 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.0183 K(o=0.018,f=-1.2) USER MOD Single : A 79 SER OG : rot -68:sc= 0.222 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0717 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -151:sc= 0.412 (180deg=0.102) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 5.621 -10.542 3.538 1.00 0.00 N ATOM 109 CA MET A 11 6.184 -10.099 2.268 1.00 0.00 C ATOM 110 C MET A 11 6.929 -8.778 2.433 1.00 0.00 C ATOM 111 O MET A 11 7.931 -8.530 1.762 1.00 0.00 O ATOM 112 CB MET A 11 5.078 -9.947 1.222 1.00 0.00 C ATOM 113 CG MET A 11 5.593 -9.562 -0.155 1.00 0.00 C ATOM 114 SD MET A 11 6.567 -10.870 -0.924 1.00 0.00 S ATOM 115 CE MET A 11 8.227 -10.346 -0.506 1.00 0.00 C ATOM 0 HA MET A 11 6.893 -10.855 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.529 -10.886 1.146 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.370 -9.190 1.561 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.748 -9.317 -0.799 1.00 0.00 H new ATOM 0 HG3 MET A 11 6.202 -8.662 -0.072 1.00 0.00 H new ATOM 0 HE1 MET A 11 8.934 -10.778 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 11 8.287 -9.259 -0.551 1.00 0.00 H new ATOM 0 HE3 MET A 11 8.472 -10.682 0.502 1.00 0.00 H new ATOM 125 N LEU A 12 6.432 -7.933 3.331 1.00 0.00 N ATOM 126 CA LEU A 12 7.051 -6.637 3.585 1.00 0.00 C ATOM 127 C LEU A 12 8.384 -6.801 4.311 1.00 0.00 C ATOM 128 O LEU A 12 9.284 -5.974 4.169 1.00 0.00 O ATOM 129 CB LEU A 12 6.111 -5.754 4.409 1.00 0.00 C ATOM 130 CG LEU A 12 5.317 -4.724 3.601 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.475 -3.857 4.526 1.00 0.00 C ATOM 132 CD2 LEU A 12 6.255 -3.863 2.765 1.00 0.00 C ATOM 0 H LEU A 12 5.603 -8.122 3.894 1.00 0.00 H new ATOM 0 HA LEU A 12 7.240 -6.158 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.409 -6.395 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.698 -5.229 5.162 1.00 0.00 H new ATOM 0 HG LEU A 12 4.648 -5.256 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.917 -3.130 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.778 -4.486 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.126 -3.333 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.673 -3.137 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.949 -3.338 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.815 -4.497 2.077 1.00 0.00 H new ATOM 144 N SER A 13 8.501 -7.872 5.089 1.00 0.00 N ATOM 145 CA SER A 13 9.724 -8.144 5.837 1.00 0.00 C ATOM 146 C SER A 13 10.929 -8.224 4.905 1.00 0.00 C ATOM 147 O SER A 13 12.051 -7.897 5.294 1.00 0.00 O ATOM 148 CB SER A 13 9.586 -9.449 6.623 1.00 0.00 C ATOM 149 OG SER A 13 9.765 -10.574 5.781 1.00 0.00 O ATOM 0 H SER A 13 7.764 -8.566 5.218 1.00 0.00 H new ATOM 0 HA SER A 13 9.882 -7.321 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.322 -9.472 7.427 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.602 -9.493 7.090 1.00 0.00 H new ATOM 0 HG SER A 13 9.674 -11.395 6.308 1.00 0.00 H new ATOM 155 N ALA A 14 10.691 -8.661 3.673 1.00 0.00 N ATOM 156 CA ALA A 14 11.756 -8.783 2.686 1.00 0.00 C ATOM 157 C ALA A 14 12.017 -7.451 1.992 1.00 0.00 C ATOM 158 O ALA A 14 13.143 -7.160 1.587 1.00 0.00 O ATOM 159 CB ALA A 14 11.408 -9.853 1.663 1.00 0.00 C ATOM 0 H ALA A 14 9.769 -8.937 3.335 1.00 0.00 H new ATOM 0 HA ALA A 14 12.667 -9.076 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.213 -9.933 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.280 -10.811 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.482 -9.583 1.155 1.00 0.00 H new ATOM 165 N LEU A 15 10.970 -6.643 1.858 1.00 0.00 N ATOM 166 CA LEU A 15 11.087 -5.341 1.213 1.00 0.00 C ATOM 167 C LEU A 15 11.837 -4.357 2.106 1.00 0.00 C ATOM 168 O LEU A 15 12.823 -3.750 1.686 1.00 0.00 O ATOM 169 CB LEU A 15 9.699 -4.787 0.879 1.00 0.00 C ATOM 170 CG LEU A 15 8.783 -5.751 0.123 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.387 -5.162 -0.014 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.364 -6.073 -1.246 1.00 0.00 C ATOM 0 H LEU A 15 10.031 -6.867 2.188 1.00 0.00 H new ATOM 0 HA LEU A 15 11.652 -5.470 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.208 -4.495 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.819 -3.882 0.284 1.00 0.00 H new ATOM 0 HG LEU A 15 8.711 -6.677 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.749 -5.861 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.970 -4.981 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.441 -4.222 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.700 -6.760 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.465 -5.154 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.344 -6.536 -1.126 1.00 0.00 H new ATOM 184 N GLY A 16 11.364 -4.204 3.338 1.00 0.00 N ATOM 185 CA GLY A 16 12.002 -3.293 4.271 1.00 0.00 C ATOM 186 C GLY A 16 11.093 -2.152 4.682 1.00 0.00 C ATOM 187 O GLY A 16 11.554 -1.035 4.918 1.00 0.00 O ATOM 0 H GLY A 16 10.550 -4.695 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.311 -3.845 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.906 -2.887 3.817 1.00 0.00 H new ATOM 191 N LEU A 17 9.796 -2.432 4.769 1.00 0.00 N ATOM 192 CA LEU A 17 8.820 -1.421 5.156 1.00 0.00 C ATOM 193 C LEU A 17 7.710 -2.032 6.005 1.00 0.00 C ATOM 194 O LEU A 17 7.353 -3.197 5.833 1.00 0.00 O ATOM 195 CB LEU A 17 8.221 -0.760 3.913 1.00 0.00 C ATOM 196 CG LEU A 17 7.409 0.511 4.183 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.216 1.748 3.819 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.099 0.482 3.409 1.00 0.00 C ATOM 0 H LEU A 17 9.397 -3.351 4.577 1.00 0.00 H new ATOM 0 HA LEU A 17 9.333 -0.665 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.030 -0.517 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.579 -1.483 3.409 1.00 0.00 H new ATOM 0 HG LEU A 17 7.179 0.552 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.623 2.641 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.127 1.777 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.477 1.714 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.536 1.393 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.309 0.417 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.513 -0.384 3.718 1.00 0.00 H new ATOM 210 N ARG A 18 7.168 -1.238 6.922 1.00 0.00 N ATOM 211 CA ARG A 18 6.098 -1.701 7.798 1.00 0.00 C ATOM 212 C ARG A 18 4.737 -1.238 7.286 1.00 0.00 C ATOM 213 O ARG A 18 4.653 -0.456 6.339 1.00 0.00 O ATOM 214 CB ARG A 18 6.321 -1.192 9.224 1.00 0.00 C ATOM 215 CG ARG A 18 7.095 -2.161 10.102 1.00 0.00 C ATOM 216 CD ARG A 18 8.495 -2.405 9.561 1.00 0.00 C ATOM 217 NE ARG A 18 9.374 -2.998 10.566 1.00 0.00 N ATOM 218 CZ ARG A 18 10.626 -3.381 10.323 1.00 0.00 C ATOM 219 NH1 ARG A 18 11.149 -3.233 9.112 1.00 0.00 N ATOM 220 NH2 ARG A 18 11.357 -3.912 11.293 1.00 0.00 N ATOM 0 H ARG A 18 7.452 -0.271 7.078 1.00 0.00 H new ATOM 0 HA ARG A 18 6.112 -2.791 7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.858 -0.244 9.183 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.354 -0.991 9.684 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.159 -1.764 11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.557 -3.107 10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.439 -3.064 8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.921 -1.462 9.218 1.00 0.00 H new ATOM 0 HE ARG A 18 9.007 -3.126 11.509 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.591 -2.824 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.109 -3.528 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.960 -4.027 12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.316 -4.205 11.107 1.00 0.00 H new ATOM 234 N LEU A 19 3.675 -1.726 7.918 1.00 0.00 N ATOM 235 CA LEU A 19 2.318 -1.362 7.526 1.00 0.00 C ATOM 236 C LEU A 19 1.911 -0.030 8.147 1.00 0.00 C ATOM 237 O LEU A 19 2.311 0.293 9.266 1.00 0.00 O ATOM 238 CB LEU A 19 1.333 -2.456 7.944 1.00 0.00 C ATOM 239 CG LEU A 19 1.475 -3.778 7.189 1.00 0.00 C ATOM 240 CD1 LEU A 19 0.663 -4.870 7.868 1.00 0.00 C ATOM 241 CD2 LEU A 19 1.044 -3.612 5.739 1.00 0.00 C ATOM 0 H LEU A 19 3.728 -2.374 8.704 1.00 0.00 H new ATOM 0 HA LEU A 19 2.295 -1.258 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.458 -2.648 9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.318 -2.083 7.805 1.00 0.00 H new ATOM 0 HG LEU A 19 2.524 -4.073 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.776 -5.804 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.019 -5.006 8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.389 -4.584 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.152 -4.562 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.002 -3.294 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.669 -2.860 5.257 1.00 0.00 H new ATOM 253 N GLY A 20 1.112 0.739 7.415 1.00 0.00 N ATOM 254 CA GLY A 20 0.663 2.027 7.911 1.00 0.00 C ATOM 255 C GLY A 20 1.513 3.174 7.399 1.00 0.00 C ATOM 256 O GLY A 20 1.028 4.295 7.249 1.00 0.00 O ATOM 0 H GLY A 20 0.767 0.493 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.374 2.186 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.685 2.021 9.001 1.00 0.00 H new ATOM 260 N ASP A 21 2.785 2.894 7.133 1.00 0.00 N ATOM 261 CA ASP A 21 3.704 3.910 6.635 1.00 0.00 C ATOM 262 C ASP A 21 3.347 4.317 5.209 1.00 0.00 C ATOM 263 O ASP A 21 2.802 3.521 4.445 1.00 0.00 O ATOM 264 CB ASP A 21 5.143 3.396 6.689 1.00 0.00 C ATOM 265 CG ASP A 21 6.118 4.452 7.172 1.00 0.00 C ATOM 266 OD1 ASP A 21 5.730 5.266 8.036 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.268 4.466 6.685 1.00 0.00 O ATOM 0 H ASP A 21 3.202 1.971 7.254 1.00 0.00 H new ATOM 0 HA ASP A 21 3.616 4.788 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.192 2.531 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.442 3.056 5.697 1.00 0.00 H new ATOM 272 N ARG A 22 3.658 5.560 4.858 1.00 0.00 N ATOM 273 CA ARG A 22 3.370 6.071 3.523 1.00 0.00 C ATOM 274 C ARG A 22 4.333 5.482 2.496 1.00 0.00 C ATOM 275 O ARG A 22 5.481 5.170 2.814 1.00 0.00 O ATOM 276 CB ARG A 22 3.458 7.600 3.510 1.00 0.00 C ATOM 277 CG ARG A 22 2.129 8.283 3.226 1.00 0.00 C ATOM 278 CD ARG A 22 1.582 8.976 4.464 1.00 0.00 C ATOM 279 NE ARG A 22 2.342 10.178 4.800 1.00 0.00 N ATOM 280 CZ ARG A 22 2.216 11.338 4.158 1.00 0.00 C ATOM 281 NH1 ARG A 22 1.364 11.456 3.147 1.00 0.00 N ATOM 282 NH2 ARG A 22 2.945 12.381 4.528 1.00 0.00 N ATOM 0 H ARG A 22 4.109 6.232 5.479 1.00 0.00 H new ATOM 0 HA ARG A 22 2.357 5.771 3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.834 7.942 4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.184 7.908 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.257 9.013 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.408 7.546 2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.538 9.242 4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.606 8.285 5.307 1.00 0.00 H new ATOM 0 HE ARG A 22 3.008 10.126 5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.801 10.656 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.272 12.347 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.602 12.295 5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.849 13.270 4.037 1.00 0.00 H new ATOM 296 N VAL A 23 3.857 5.331 1.264 1.00 0.00 N ATOM 297 CA VAL A 23 4.675 4.780 0.191 1.00 0.00 C ATOM 298 C VAL A 23 4.542 5.608 -1.082 1.00 0.00 C ATOM 299 O VAL A 23 3.654 6.454 -1.195 1.00 0.00 O ATOM 300 CB VAL A 23 4.289 3.322 -0.118 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.641 2.415 1.053 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.809 3.220 -0.452 1.00 0.00 C ATOM 0 H VAL A 23 2.909 5.583 0.985 1.00 0.00 H new ATOM 0 HA VAL A 23 5.709 4.810 0.535 1.00 0.00 H new ATOM 0 HB VAL A 23 4.858 2.993 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.361 1.389 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.713 2.464 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.101 2.742 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.555 2.182 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.220 3.569 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.590 3.836 -1.324 1.00 0.00 H new ATOM 312 N LEU A 24 5.431 5.361 -2.039 1.00 0.00 N ATOM 313 CA LEU A 24 5.412 6.084 -3.305 1.00 0.00 C ATOM 314 C LEU A 24 4.928 5.184 -4.438 1.00 0.00 C ATOM 315 O LEU A 24 5.685 4.366 -4.961 1.00 0.00 O ATOM 316 CB LEU A 24 6.807 6.625 -3.627 1.00 0.00 C ATOM 317 CG LEU A 24 6.835 8.042 -4.203 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.297 9.041 -3.189 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.247 8.417 -4.627 1.00 0.00 C ATOM 0 H LEU A 24 6.173 4.666 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 24 4.719 6.920 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.406 6.607 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.286 5.951 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 24 6.194 8.069 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.325 10.043 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.269 8.783 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.912 9.013 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.248 9.428 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.910 8.373 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.596 7.719 -5.388 1.00 0.00 H new ATOM 331 N LEU A 25 3.663 5.341 -4.812 1.00 0.00 N ATOM 332 CA LEU A 25 3.077 4.543 -5.882 1.00 0.00 C ATOM 333 C LEU A 25 3.561 5.023 -7.247 1.00 0.00 C ATOM 334 O LEU A 25 3.448 6.203 -7.577 1.00 0.00 O ATOM 335 CB LEU A 25 1.550 4.607 -5.818 1.00 0.00 C ATOM 336 CG LEU A 25 0.948 4.324 -4.441 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.557 4.549 -4.460 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.270 2.905 -3.999 1.00 0.00 C ATOM 0 H LEU A 25 3.024 6.014 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 25 3.396 3.510 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.229 5.597 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.141 3.891 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 25 1.390 5.016 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.968 4.343 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.767 5.584 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.015 3.882 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.834 2.722 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.857 2.197 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.351 2.777 -3.945 1.00 0.00 H new ATOM 350 N ASP A 26 4.100 4.099 -8.036 1.00 0.00 N ATOM 351 CA ASP A 26 4.601 4.427 -9.365 1.00 0.00 C ATOM 352 C ASP A 26 5.711 5.472 -9.292 1.00 0.00 C ATOM 353 O ASP A 26 5.968 6.187 -10.262 1.00 0.00 O ATOM 354 CB ASP A 26 3.464 4.937 -10.251 1.00 0.00 C ATOM 355 CG ASP A 26 2.635 3.810 -10.835 1.00 0.00 C ATOM 356 OD1 ASP A 26 1.868 3.181 -10.076 1.00 0.00 O ATOM 357 OD2 ASP A 26 2.752 3.557 -12.052 1.00 0.00 O ATOM 0 H ASP A 26 4.201 3.117 -7.778 1.00 0.00 H new ATOM 0 HA ASP A 26 5.014 3.517 -9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.819 5.594 -9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.879 5.536 -11.061 1.00 0.00 H new ATOM 362 N GLY A 27 6.369 5.557 -8.139 1.00 0.00 N ATOM 363 CA GLY A 27 7.442 6.518 -7.965 1.00 0.00 C ATOM 364 C GLY A 27 7.015 7.937 -8.286 1.00 0.00 C ATOM 365 O GLY A 27 7.668 8.627 -9.070 1.00 0.00 O ATOM 0 H GLY A 27 6.177 4.977 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.800 6.475 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.279 6.241 -8.606 1.00 0.00 H new ATOM 369 N GLN A 28 5.914 8.374 -7.682 1.00 0.00 N ATOM 370 CA GLN A 28 5.401 9.719 -7.910 1.00 0.00 C ATOM 371 C GLN A 28 4.187 9.996 -7.029 1.00 0.00 C ATOM 372 O GLN A 28 4.114 11.026 -6.360 1.00 0.00 O ATOM 373 CB GLN A 28 5.029 9.902 -9.383 1.00 0.00 C ATOM 374 CG GLN A 28 4.069 8.845 -9.904 1.00 0.00 C ATOM 375 CD GLN A 28 4.045 8.775 -11.418 1.00 0.00 C ATOM 376 OE1 GLN A 28 3.342 9.542 -12.075 1.00 0.00 O ATOM 377 NE2 GLN A 28 4.814 7.849 -11.980 1.00 0.00 N ATOM 0 H GLN A 28 5.361 7.816 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 28 6.186 10.429 -7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.580 10.886 -9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.938 9.883 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.353 7.872 -9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.065 9.059 -9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.381 7.234 -11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.837 7.753 -12.995 1.00 0.00 H new ATOM 386 N LYS A 29 3.234 9.069 -7.035 1.00 0.00 N ATOM 387 CA LYS A 29 2.022 9.214 -6.236 1.00 0.00 C ATOM 388 C LYS A 29 2.268 8.786 -4.793 1.00 0.00 C ATOM 389 O LYS A 29 3.005 7.835 -4.534 1.00 0.00 O ATOM 390 CB LYS A 29 0.887 8.386 -6.841 1.00 0.00 C ATOM 391 CG LYS A 29 0.305 8.987 -8.110 1.00 0.00 C ATOM 392 CD LYS A 29 -0.529 7.972 -8.875 1.00 0.00 C ATOM 393 CE LYS A 29 0.265 7.341 -10.008 1.00 0.00 C ATOM 394 NZ LYS A 29 -0.599 6.524 -10.903 1.00 0.00 N ATOM 0 H LYS A 29 3.277 8.210 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 29 1.736 10.266 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.256 7.384 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.093 8.279 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.312 9.849 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.113 9.349 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.874 7.194 -8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.417 8.459 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.753 8.124 -10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.054 6.714 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.020 6.111 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.045 5.762 -10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.337 7.128 -11.319 1.00 0.00 H new ATOM 408 N THR A 30 1.645 9.495 -3.857 1.00 0.00 N ATOM 409 CA THR A 30 1.795 9.188 -2.440 1.00 0.00 C ATOM 410 C THR A 30 0.610 8.375 -1.930 1.00 0.00 C ATOM 411 O THR A 30 -0.532 8.835 -1.963 1.00 0.00 O ATOM 412 CB THR A 30 1.931 10.478 -1.628 1.00 0.00 C ATOM 413 OG1 THR A 30 0.853 11.356 -1.897 1.00 0.00 O ATOM 414 CG2 THR A 30 3.217 11.227 -1.908 1.00 0.00 C ATOM 0 H THR A 30 1.032 10.286 -4.055 1.00 0.00 H new ATOM 0 HA THR A 30 2.700 8.593 -2.318 1.00 0.00 H new ATOM 0 HB THR A 30 1.932 10.165 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.957 12.174 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.251 12.131 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.069 10.593 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.258 11.497 -2.963 1.00 0.00 H new ATOM 422 N GLY A 31 0.889 7.164 -1.460 1.00 0.00 N ATOM 423 CA GLY A 31 -0.165 6.305 -0.949 1.00 0.00 C ATOM 424 C GLY A 31 0.165 5.734 0.416 1.00 0.00 C ATOM 425 O GLY A 31 1.300 5.331 0.671 1.00 0.00 O ATOM 0 H GLY A 31 1.825 6.761 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.094 6.872 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.336 5.488 -1.650 1.00 0.00 H new ATOM 429 N THR A 32 -0.831 5.699 1.296 1.00 0.00 N ATOM 430 CA THR A 32 -0.641 5.173 2.643 1.00 0.00 C ATOM 431 C THR A 32 -0.892 3.669 2.682 1.00 0.00 C ATOM 432 O THR A 32 -2.005 3.209 2.428 1.00 0.00 O ATOM 433 CB THR A 32 -1.574 5.882 3.626 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.370 7.283 3.588 1.00 0.00 O ATOM 435 CG2 THR A 32 -1.391 5.431 5.058 1.00 0.00 C ATOM 0 H THR A 32 -1.776 6.028 1.101 1.00 0.00 H new ATOM 0 HA THR A 32 0.393 5.358 2.935 1.00 0.00 H new ATOM 0 HB THR A 32 -2.583 5.620 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.977 7.719 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.083 5.974 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.590 4.362 5.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.368 5.632 5.375 1.00 0.00 H new ATOM 443 N LEU A 33 0.149 2.908 3.001 1.00 0.00 N ATOM 444 CA LEU A 33 0.042 1.455 3.073 1.00 0.00 C ATOM 445 C LEU A 33 -0.695 1.028 4.339 1.00 0.00 C ATOM 446 O LEU A 33 -0.593 1.680 5.378 1.00 0.00 O ATOM 447 CB LEU A 33 1.432 0.818 3.037 1.00 0.00 C ATOM 448 CG LEU A 33 1.466 -0.635 2.560 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.304 -0.705 1.048 1.00 0.00 C ATOM 450 CD2 LEU A 33 2.761 -1.307 2.991 1.00 0.00 C ATOM 0 H LEU A 33 1.077 3.273 3.214 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.528 1.113 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.071 1.414 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.863 0.866 4.037 1.00 0.00 H new ATOM 0 HG LEU A 33 0.633 -1.168 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.331 -1.746 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.350 -0.262 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.116 -0.157 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.768 -2.340 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.609 -0.773 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.836 -1.290 4.078 1.00 0.00 H new ATOM 462 N ARG A 34 -1.437 -0.070 4.244 1.00 0.00 N ATOM 463 CA ARG A 34 -2.190 -0.584 5.382 1.00 0.00 C ATOM 464 C ARG A 34 -2.037 -2.097 5.500 1.00 0.00 C ATOM 465 O ARG A 34 -1.788 -2.624 6.584 1.00 0.00 O ATOM 466 CB ARG A 34 -3.669 -0.218 5.247 1.00 0.00 C ATOM 467 CG ARG A 34 -3.922 1.280 5.181 1.00 0.00 C ATOM 468 CD ARG A 34 -4.482 1.812 6.491 1.00 0.00 C ATOM 469 NE ARG A 34 -3.639 1.463 7.631 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.058 1.478 8.894 1.00 0.00 C ATOM 471 NH1 ARG A 34 -5.305 1.825 9.184 1.00 0.00 N ATOM 472 NH2 ARG A 34 -3.225 1.145 9.872 1.00 0.00 N ATOM 0 H ARG A 34 -1.533 -0.621 3.391 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.790 -0.127 6.287 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.070 -0.686 4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.216 -0.633 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.991 1.797 4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.620 1.496 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.578 2.896 6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.484 1.412 6.646 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.673 1.192 7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.950 2.083 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.619 1.834 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.265 0.878 9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.545 1.156 10.840 1.00 0.00 H new ATOM 486 N PHE A 35 -2.187 -2.793 4.376 1.00 0.00 N ATOM 487 CA PHE A 35 -2.064 -4.246 4.354 1.00 0.00 C ATOM 488 C PHE A 35 -0.972 -4.685 3.385 1.00 0.00 C ATOM 489 O PHE A 35 -0.638 -3.966 2.443 1.00 0.00 O ATOM 490 CB PHE A 35 -3.397 -4.885 3.962 1.00 0.00 C ATOM 491 CG PHE A 35 -3.373 -6.387 3.987 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.540 -7.076 5.177 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.183 -7.109 2.820 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.517 -8.458 5.203 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.160 -8.491 2.839 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.327 -9.166 4.033 1.00 0.00 C ATOM 0 H PHE A 35 -2.394 -2.374 3.470 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.790 -4.578 5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.174 -4.531 4.640 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.671 -4.551 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.690 -6.527 6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.051 -6.586 1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.648 -8.983 6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.012 -9.042 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.309 -10.246 4.051 1.00 0.00 H new ATOM 506 N CYS A 36 -0.417 -5.870 3.623 1.00 0.00 N ATOM 507 CA CYS A 36 0.638 -6.404 2.770 1.00 0.00 C ATOM 508 C CYS A 36 0.578 -7.927 2.719 1.00 0.00 C ATOM 509 O CYS A 36 0.426 -8.587 3.747 1.00 0.00 O ATOM 510 CB CYS A 36 2.010 -5.953 3.277 1.00 0.00 C ATOM 511 SG CYS A 36 2.429 -6.572 4.924 1.00 0.00 S ATOM 0 H CYS A 36 -0.681 -6.478 4.399 1.00 0.00 H new ATOM 0 HA CYS A 36 0.486 -6.018 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.773 -6.283 2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.040 -4.864 3.292 1.00 0.00 H new ATOM 0 HG CYS A 36 1.779 -7.675 5.152 1.00 0.00 H new ATOM 517 N GLY A 37 0.698 -8.479 1.516 1.00 0.00 N ATOM 518 CA GLY A 37 0.654 -9.920 1.353 1.00 0.00 C ATOM 519 C GLY A 37 -0.188 -10.344 0.166 1.00 0.00 C ATOM 520 O GLY A 37 -0.047 -9.800 -0.928 1.00 0.00 O ATOM 0 H GLY A 37 0.825 -7.954 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.668 -10.300 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.253 -10.373 2.260 1.00 0.00 H new ATOM 524 N THR A 38 -1.065 -11.319 0.384 1.00 0.00 N ATOM 525 CA THR A 38 -1.934 -11.816 -0.678 1.00 0.00 C ATOM 526 C THR A 38 -3.378 -11.383 -0.445 1.00 0.00 C ATOM 527 O THR A 38 -3.708 -10.823 0.601 1.00 0.00 O ATOM 528 CB THR A 38 -1.852 -13.341 -0.762 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.908 -13.857 -1.553 1.00 0.00 O ATOM 530 CG2 THR A 38 -1.916 -14.020 0.589 1.00 0.00 C ATOM 0 H THR A 38 -1.193 -11.780 1.285 1.00 0.00 H new ATOM 0 HA THR A 38 -1.594 -11.390 -1.622 1.00 0.00 H new ATOM 0 HB THR A 38 -0.882 -13.553 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.837 -14.834 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.853 -15.100 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.084 -13.681 1.207 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.857 -13.769 1.078 1.00 0.00 H new ATOM 538 N THR A 39 -4.235 -11.647 -1.426 1.00 0.00 N ATOM 539 CA THR A 39 -5.644 -11.285 -1.328 1.00 0.00 C ATOM 540 C THR A 39 -6.519 -12.529 -1.210 1.00 0.00 C ATOM 541 O THR A 39 -6.020 -13.654 -1.219 1.00 0.00 O ATOM 542 CB THR A 39 -6.067 -10.465 -2.547 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.581 -11.053 -3.741 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.573 -9.035 -2.506 1.00 0.00 C ATOM 0 H THR A 39 -3.978 -12.110 -2.298 1.00 0.00 H new ATOM 0 HA THR A 39 -5.777 -10.683 -0.429 1.00 0.00 H new ATOM 0 HB THR A 39 -7.157 -10.457 -2.526 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.424 -10.354 -4.410 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.908 -8.509 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.971 -8.538 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.484 -9.027 -2.467 1.00 0.00 H new ATOM 552 N GLU A 40 -7.826 -12.318 -1.098 1.00 0.00 N ATOM 553 CA GLU A 40 -8.772 -13.422 -0.978 1.00 0.00 C ATOM 554 C GLU A 40 -9.498 -13.666 -2.296 1.00 0.00 C ATOM 555 O GLU A 40 -9.894 -14.792 -2.599 1.00 0.00 O ATOM 556 CB GLU A 40 -9.786 -13.134 0.130 1.00 0.00 C ATOM 557 CG GLU A 40 -9.295 -13.515 1.518 1.00 0.00 C ATOM 558 CD GLU A 40 -9.914 -14.804 2.022 1.00 0.00 C ATOM 559 OE1 GLU A 40 -11.101 -15.049 1.721 1.00 0.00 O ATOM 560 OE2 GLU A 40 -9.213 -15.566 2.719 1.00 0.00 O ATOM 0 H GLU A 40 -8.255 -11.393 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.210 -14.321 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.032 -12.072 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.707 -13.676 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.210 -13.620 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.525 -12.709 2.215 1.00 0.00 H new ATOM 567 N PHE A 41 -9.669 -12.605 -3.078 1.00 0.00 N ATOM 568 CA PHE A 41 -10.349 -12.706 -4.365 1.00 0.00 C ATOM 569 C PHE A 41 -9.370 -13.090 -5.471 1.00 0.00 C ATOM 570 O PHE A 41 -9.746 -13.735 -6.449 1.00 0.00 O ATOM 571 CB PHE A 41 -11.036 -11.384 -4.711 1.00 0.00 C ATOM 572 CG PHE A 41 -10.148 -10.182 -4.551 1.00 0.00 C ATOM 573 CD1 PHE A 41 -9.311 -9.781 -5.578 1.00 0.00 C ATOM 574 CD2 PHE A 41 -10.152 -9.454 -3.371 1.00 0.00 C ATOM 575 CE1 PHE A 41 -8.494 -8.676 -5.434 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.337 -8.349 -3.220 1.00 0.00 C ATOM 577 CZ PHE A 41 -8.507 -7.959 -4.254 1.00 0.00 C ATOM 0 H PHE A 41 -9.347 -11.666 -2.844 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.104 -13.488 -4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -11.391 -11.428 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.914 -11.264 -4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.296 -10.338 -6.503 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.800 -9.754 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.846 -8.373 -6.243 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.348 -7.791 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.870 -7.095 -4.139 1.00 0.00 H new ATOM 587 N ALA A 42 -8.112 -12.689 -5.308 1.00 0.00 N ATOM 588 CA ALA A 42 -7.081 -12.993 -6.294 1.00 0.00 C ATOM 589 C ALA A 42 -5.851 -13.602 -5.630 1.00 0.00 C ATOM 590 O ALA A 42 -5.880 -13.955 -4.451 1.00 0.00 O ATOM 591 CB ALA A 42 -6.699 -11.737 -7.062 1.00 0.00 C ATOM 0 H ALA A 42 -7.783 -12.154 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.486 -13.725 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.929 -11.979 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.576 -11.343 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.318 -10.988 -6.368 1.00 0.00 H new ATOM 597 N SER A 43 -4.770 -13.724 -6.395 1.00 0.00 N ATOM 598 CA SER A 43 -3.529 -14.291 -5.880 1.00 0.00 C ATOM 599 C SER A 43 -2.331 -13.444 -6.296 1.00 0.00 C ATOM 600 O SER A 43 -2.483 -12.419 -6.960 1.00 0.00 O ATOM 601 CB SER A 43 -3.352 -15.725 -6.382 1.00 0.00 C ATOM 602 OG SER A 43 -3.984 -15.909 -7.636 1.00 0.00 O ATOM 0 H SER A 43 -4.729 -13.438 -7.373 1.00 0.00 H new ATOM 0 HA SER A 43 -3.586 -14.299 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.290 -15.954 -6.470 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.770 -16.422 -5.655 1.00 0.00 H new ATOM 0 HG SER A 43 -3.854 -16.833 -7.935 1.00 0.00 H new ATOM 608 N GLY A 44 -1.139 -13.880 -5.901 1.00 0.00 N ATOM 609 CA GLY A 44 0.067 -13.150 -6.242 1.00 0.00 C ATOM 610 C GLY A 44 0.387 -12.056 -5.240 1.00 0.00 C ATOM 611 O GLY A 44 -0.230 -11.979 -4.178 1.00 0.00 O ATOM 0 H GLY A 44 -0.987 -14.726 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.905 -13.845 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.047 -12.709 -7.232 1.00 0.00 H new ATOM 615 N GLN A 45 1.355 -11.210 -5.579 1.00 0.00 N ATOM 616 CA GLN A 45 1.755 -10.117 -4.701 1.00 0.00 C ATOM 617 C GLN A 45 0.758 -8.966 -4.776 1.00 0.00 C ATOM 618 O GLN A 45 0.491 -8.431 -5.852 1.00 0.00 O ATOM 619 CB GLN A 45 3.153 -9.620 -5.075 1.00 0.00 C ATOM 620 CG GLN A 45 4.274 -10.375 -4.377 1.00 0.00 C ATOM 621 CD GLN A 45 4.695 -11.620 -5.131 1.00 0.00 C ATOM 622 OE1 GLN A 45 3.908 -12.552 -5.303 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.942 -11.644 -5.585 1.00 0.00 N ATOM 0 H GLN A 45 1.876 -11.261 -6.454 1.00 0.00 H new ATOM 0 HA GLN A 45 1.772 -10.494 -3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.284 -9.707 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.231 -8.561 -4.829 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.134 -9.716 -4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.950 -10.654 -3.374 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.560 -10.850 -5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.282 -12.457 -6.099 1.00 0.00 H new ATOM 632 N TRP A 46 0.208 -8.589 -3.626 1.00 0.00 N ATOM 633 CA TRP A 46 -0.760 -7.502 -3.561 1.00 0.00 C ATOM 634 C TRP A 46 -0.651 -6.754 -2.236 1.00 0.00 C ATOM 635 O TRP A 46 -0.259 -7.328 -1.219 1.00 0.00 O ATOM 636 CB TRP A 46 -2.180 -8.043 -3.738 1.00 0.00 C ATOM 637 CG TRP A 46 -2.503 -8.407 -5.156 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.481 -9.655 -5.707 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.896 -7.512 -6.202 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.837 -9.592 -7.032 1.00 0.00 N ATOM 641 CE2 TRP A 46 -3.096 -8.287 -7.360 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.099 -6.131 -6.272 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.489 -7.726 -8.573 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.488 -5.576 -7.477 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.681 -6.372 -8.613 1.00 0.00 C ATOM 0 H TRP A 46 0.417 -9.021 -2.726 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.540 -6.806 -4.370 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.308 -8.922 -3.106 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.892 -7.295 -3.391 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.222 -10.560 -5.178 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.899 -10.387 -7.668 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.955 -5.509 -5.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.637 -8.338 -9.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.646 -4.510 -7.543 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.987 -5.908 -9.539 1.00 0.00 H new ATOM 656 N VAL A 47 -0.998 -5.472 -2.254 1.00 0.00 N ATOM 657 CA VAL A 47 -0.938 -4.647 -1.055 1.00 0.00 C ATOM 658 C VAL A 47 -1.995 -3.547 -1.090 1.00 0.00 C ATOM 659 O VAL A 47 -2.350 -3.047 -2.157 1.00 0.00 O ATOM 660 CB VAL A 47 0.450 -4.002 -0.885 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.512 -5.069 -0.665 1.00 0.00 C ATOM 662 CG2 VAL A 47 0.791 -3.142 -2.093 1.00 0.00 C ATOM 0 H VAL A 47 -1.324 -4.982 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.131 -5.306 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 47 0.426 -3.359 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.486 -4.594 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.275 -5.639 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.537 -5.740 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.775 -2.694 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.796 -3.761 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.046 -2.354 -2.200 1.00 0.00 H new ATOM 672 N GLY A 48 -2.493 -3.176 0.085 1.00 0.00 N ATOM 673 CA GLY A 48 -3.502 -2.137 0.167 1.00 0.00 C ATOM 674 C GLY A 48 -2.904 -0.765 0.411 1.00 0.00 C ATOM 675 O GLY A 48 -2.165 -0.566 1.376 1.00 0.00 O ATOM 0 H GLY A 48 -2.216 -3.576 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.077 -2.120 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.199 -2.374 0.971 1.00 0.00 H new ATOM 679 N VAL A 49 -3.220 0.182 -0.467 1.00 0.00 N ATOM 680 CA VAL A 49 -2.706 1.540 -0.343 1.00 0.00 C ATOM 681 C VAL A 49 -3.818 2.567 -0.526 1.00 0.00 C ATOM 682 O VAL A 49 -4.732 2.371 -1.324 1.00 0.00 O ATOM 683 CB VAL A 49 -1.593 1.818 -1.372 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.893 3.131 -1.060 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.596 0.667 -1.407 1.00 0.00 C ATOM 0 H VAL A 49 -3.829 0.033 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.292 1.630 0.661 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.049 1.902 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.110 3.310 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.616 3.946 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.450 3.080 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.182 0.882 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.144 0.547 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.111 -0.253 -1.684 1.00 0.00 H new ATOM 695 N GLU A 50 -3.731 3.664 0.221 1.00 0.00 N ATOM 696 CA GLU A 50 -4.730 4.723 0.141 1.00 0.00 C ATOM 697 C GLU A 50 -4.188 5.924 -0.626 1.00 0.00 C ATOM 698 O GLU A 50 -3.206 6.544 -0.218 1.00 0.00 O ATOM 699 CB GLU A 50 -5.161 5.153 1.544 1.00 0.00 C ATOM 700 CG GLU A 50 -6.600 5.639 1.617 1.00 0.00 C ATOM 701 CD GLU A 50 -6.777 6.792 2.585 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.265 7.894 2.294 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.427 6.594 3.632 1.00 0.00 O ATOM 0 H GLU A 50 -2.980 3.842 0.888 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.596 4.332 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.035 4.313 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.500 5.947 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.926 5.950 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.244 4.813 1.920 1.00 0.00 H new ATOM 710 N LEU A 51 -4.834 6.247 -1.742 1.00 0.00 N ATOM 711 CA LEU A 51 -4.416 7.375 -2.568 1.00 0.00 C ATOM 712 C LEU A 51 -4.630 8.694 -1.834 1.00 0.00 C ATOM 713 O LEU A 51 -5.705 8.948 -1.292 1.00 0.00 O ATOM 714 CB LEU A 51 -5.190 7.381 -3.889 1.00 0.00 C ATOM 715 CG LEU A 51 -4.852 6.233 -4.841 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.716 6.303 -6.090 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.376 6.265 -5.209 1.00 0.00 C ATOM 0 H LEU A 51 -5.648 5.744 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.352 7.265 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.257 7.348 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.000 8.325 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.060 5.291 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.461 5.478 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.767 6.232 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.540 7.249 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.152 5.441 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.143 7.211 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.774 6.166 -4.306 1.00 0.00 H new ATOM 729 N ASP A 52 -3.598 9.531 -1.822 1.00 0.00 N ATOM 730 CA ASP A 52 -3.671 10.826 -1.155 1.00 0.00 C ATOM 731 C ASP A 52 -4.708 11.724 -1.821 1.00 0.00 C ATOM 732 O ASP A 52 -5.451 12.438 -1.147 1.00 0.00 O ATOM 733 CB ASP A 52 -2.303 11.509 -1.170 1.00 0.00 C ATOM 734 CG ASP A 52 -2.085 12.395 0.042 1.00 0.00 C ATOM 735 OD1 ASP A 52 -2.851 13.367 0.212 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.149 12.115 0.821 1.00 0.00 O ATOM 0 H ASP A 52 -2.701 9.336 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.974 10.657 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.522 10.750 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.209 12.108 -2.076 1.00 0.00 H new ATOM 741 N GLU A 53 -4.752 11.684 -3.148 1.00 0.00 N ATOM 742 CA GLU A 53 -5.698 12.495 -3.907 1.00 0.00 C ATOM 743 C GLU A 53 -7.086 11.860 -3.900 1.00 0.00 C ATOM 744 O GLU A 53 -7.234 10.670 -3.624 1.00 0.00 O ATOM 745 CB GLU A 53 -5.211 12.671 -5.346 1.00 0.00 C ATOM 746 CG GLU A 53 -4.370 13.919 -5.556 1.00 0.00 C ATOM 747 CD GLU A 53 -4.788 14.706 -6.783 1.00 0.00 C ATOM 748 OE1 GLU A 53 -4.801 14.122 -7.887 1.00 0.00 O ATOM 749 OE2 GLU A 53 -5.103 15.906 -6.640 1.00 0.00 O ATOM 0 H GLU A 53 -4.144 11.099 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.764 13.474 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.626 11.797 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.074 12.709 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.448 14.557 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.322 13.634 -5.651 1.00 0.00 H new ATOM 756 N PRO A 54 -8.130 12.653 -4.205 1.00 0.00 N ATOM 757 CA PRO A 54 -9.511 12.163 -4.232 1.00 0.00 C ATOM 758 C PRO A 54 -9.769 11.227 -5.408 1.00 0.00 C ATOM 759 O PRO A 54 -10.567 11.532 -6.296 1.00 0.00 O ATOM 760 CB PRO A 54 -10.338 13.443 -4.373 1.00 0.00 C ATOM 761 CG PRO A 54 -9.425 14.411 -5.040 1.00 0.00 C ATOM 762 CD PRO A 54 -8.043 14.085 -4.546 1.00 0.00 C ATOM 0 HA PRO A 54 -9.755 11.578 -3.345 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.236 13.271 -4.967 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.665 13.812 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.484 14.319 -6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.696 15.437 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.289 14.271 -5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.773 14.689 -3.679 1.00 0.00 H new ATOM 770 N GLU A 55 -9.090 10.085 -5.409 1.00 0.00 N ATOM 771 CA GLU A 55 -9.246 9.103 -6.476 1.00 0.00 C ATOM 772 C GLU A 55 -9.094 7.684 -5.936 1.00 0.00 C ATOM 773 O GLU A 55 -8.517 7.473 -4.870 1.00 0.00 O ATOM 774 CB GLU A 55 -8.220 9.353 -7.582 1.00 0.00 C ATOM 775 CG GLU A 55 -8.711 10.303 -8.662 1.00 0.00 C ATOM 776 CD GLU A 55 -9.304 9.577 -9.853 1.00 0.00 C ATOM 777 OE1 GLU A 55 -9.695 8.400 -9.696 1.00 0.00 O ATOM 778 OE2 GLU A 55 -9.377 10.183 -10.942 1.00 0.00 O ATOM 0 H GLU A 55 -8.426 9.816 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.249 9.209 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.311 9.759 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.953 8.401 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.461 10.972 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.882 10.926 -8.997 1.00 0.00 H new ATOM 785 N GLY A 56 -9.615 6.715 -6.680 1.00 0.00 N ATOM 786 CA GLY A 56 -9.526 5.329 -6.260 1.00 0.00 C ATOM 787 C GLY A 56 -10.605 4.464 -6.883 1.00 0.00 C ATOM 788 O GLY A 56 -11.258 4.869 -7.844 1.00 0.00 O ATOM 0 H GLY A 56 -10.097 6.864 -7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.547 4.933 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.604 5.276 -5.174 1.00 0.00 H new ATOM 792 N LYS A 57 -10.791 3.268 -6.333 1.00 0.00 N ATOM 793 CA LYS A 57 -11.798 2.342 -6.840 1.00 0.00 C ATOM 794 C LYS A 57 -12.246 1.374 -5.748 1.00 0.00 C ATOM 795 O LYS A 57 -12.617 0.235 -6.029 1.00 0.00 O ATOM 796 CB LYS A 57 -11.247 1.565 -8.038 1.00 0.00 C ATOM 797 CG LYS A 57 -11.693 2.122 -9.381 1.00 0.00 C ATOM 798 CD LYS A 57 -11.704 1.047 -10.455 1.00 0.00 C ATOM 799 CE LYS A 57 -12.912 1.183 -11.367 1.00 0.00 C ATOM 800 NZ LYS A 57 -14.032 0.298 -10.943 1.00 0.00 N ATOM 0 H LYS A 57 -10.258 2.918 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.663 2.922 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.158 1.571 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.563 0.525 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.690 2.551 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.026 2.930 -9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.791 1.113 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.710 0.063 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.250 2.219 -11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.624 0.939 -12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.836 0.421 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.718 -0.693 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.325 0.547 -9.977 1.00 0.00 H new ATOM 814 N ASN A 58 -12.209 1.837 -4.502 1.00 0.00 N ATOM 815 CA ASN A 58 -12.612 1.013 -3.370 1.00 0.00 C ATOM 816 C ASN A 58 -12.618 1.827 -2.079 1.00 0.00 C ATOM 817 O ASN A 58 -11.977 2.875 -1.992 1.00 0.00 O ATOM 818 CB ASN A 58 -11.674 -0.189 -3.228 1.00 0.00 C ATOM 819 CG ASN A 58 -12.354 -1.498 -3.578 1.00 0.00 C ATOM 820 OD1 ASN A 58 -13.421 -1.816 -3.053 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.738 -2.266 -4.468 1.00 0.00 N ATOM 0 H ASN A 58 -11.904 2.778 -4.252 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.624 0.654 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.808 -0.049 -3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.303 -0.238 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.148 -3.159 -4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.855 -1.963 -4.878 1.00 0.00 H new ATOM 828 N ASP A 59 -13.345 1.338 -1.080 1.00 0.00 N ATOM 829 CA ASP A 59 -13.434 2.021 0.205 1.00 0.00 C ATOM 830 C ASP A 59 -12.664 1.260 1.279 1.00 0.00 C ATOM 831 O ASP A 59 -13.029 1.286 2.455 1.00 0.00 O ATOM 832 CB ASP A 59 -14.897 2.175 0.624 1.00 0.00 C ATOM 833 CG ASP A 59 -15.669 0.874 0.521 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.644 0.091 1.494 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.295 0.637 -0.534 1.00 0.00 O ATOM 0 H ASP A 59 -13.881 0.472 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.989 3.010 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.941 2.540 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.374 2.928 -0.003 1.00 0.00 H new ATOM 840 N GLY A 60 -11.596 0.584 0.869 1.00 0.00 N ATOM 841 CA GLY A 60 -10.792 -0.175 1.808 1.00 0.00 C ATOM 842 C GLY A 60 -11.480 -1.445 2.268 1.00 0.00 C ATOM 843 O GLY A 60 -11.309 -1.873 3.410 1.00 0.00 O ATOM 0 H GLY A 60 -11.273 0.548 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.840 -0.430 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.567 0.447 2.675 1.00 0.00 H new ATOM 847 N SER A 61 -12.263 -2.046 1.379 1.00 0.00 N ATOM 848 CA SER A 61 -12.980 -3.275 1.699 1.00 0.00 C ATOM 849 C SER A 61 -13.367 -4.026 0.429 1.00 0.00 C ATOM 850 O SER A 61 -13.619 -3.418 -0.611 1.00 0.00 O ATOM 851 CB SER A 61 -14.231 -2.961 2.520 1.00 0.00 C ATOM 852 OG SER A 61 -13.973 -1.947 3.477 1.00 0.00 O ATOM 0 H SER A 61 -12.417 -1.702 0.431 1.00 0.00 H new ATOM 0 HA SER A 61 -12.317 -3.910 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.035 -2.643 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.574 -3.864 3.026 1.00 0.00 H new ATOM 0 HG SER A 61 -13.032 -1.984 3.747 1.00 0.00 H new ATOM 858 N VAL A 62 -13.413 -5.350 0.521 1.00 0.00 N ATOM 859 CA VAL A 62 -13.770 -6.184 -0.620 1.00 0.00 C ATOM 860 C VAL A 62 -14.631 -7.367 -0.190 1.00 0.00 C ATOM 861 O VAL A 62 -14.140 -8.312 0.427 1.00 0.00 O ATOM 862 CB VAL A 62 -12.517 -6.713 -1.344 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.901 -7.410 -2.639 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.536 -5.580 -1.609 1.00 0.00 C ATOM 0 H VAL A 62 -13.207 -5.869 1.375 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.338 -5.554 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.028 -7.443 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.002 -7.776 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.561 -8.249 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.415 -6.705 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.657 -5.972 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.013 -4.824 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.235 -5.131 -0.663 1.00 0.00 H new ATOM 874 N GLY A 63 -15.917 -7.306 -0.520 1.00 0.00 N ATOM 875 CA GLY A 63 -16.825 -8.379 -0.159 1.00 0.00 C ATOM 876 C GLY A 63 -16.896 -8.601 1.339 1.00 0.00 C ATOM 877 O GLY A 63 -17.367 -7.737 2.079 1.00 0.00 O ATOM 0 H GLY A 63 -16.346 -6.534 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.821 -8.150 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.504 -9.301 -0.645 1.00 0.00 H new ATOM 881 N GLY A 64 -16.427 -9.761 1.786 1.00 0.00 N ATOM 882 CA GLY A 64 -16.447 -10.072 3.203 1.00 0.00 C ATOM 883 C GLY A 64 -15.099 -9.862 3.864 1.00 0.00 C ATOM 884 O GLY A 64 -14.774 -10.521 4.852 1.00 0.00 O ATOM 0 H GLY A 64 -16.033 -10.491 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.191 -9.448 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.757 -11.108 3.340 1.00 0.00 H new ATOM 888 N VAL A 65 -14.311 -8.942 3.316 1.00 0.00 N ATOM 889 CA VAL A 65 -12.989 -8.647 3.857 1.00 0.00 C ATOM 890 C VAL A 65 -12.751 -7.143 3.933 1.00 0.00 C ATOM 891 O VAL A 65 -13.280 -6.379 3.127 1.00 0.00 O ATOM 892 CB VAL A 65 -11.877 -9.288 3.007 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.527 -9.140 3.691 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.188 -10.752 2.738 1.00 0.00 C ATOM 0 H VAL A 65 -14.565 -8.388 2.498 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.957 -9.070 4.861 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.832 -8.767 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.754 -9.599 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.302 -8.082 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.556 -9.632 4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.391 -11.189 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.263 -11.288 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.133 -10.830 2.201 1.00 0.00 H new ATOM 904 N ARG A 66 -11.951 -6.725 4.909 1.00 0.00 N ATOM 905 CA ARG A 66 -11.643 -5.311 5.090 1.00 0.00 C ATOM 906 C ARG A 66 -10.171 -5.116 5.441 1.00 0.00 C ATOM 907 O ARG A 66 -9.640 -5.785 6.326 1.00 0.00 O ATOM 908 CB ARG A 66 -12.524 -4.712 6.189 1.00 0.00 C ATOM 909 CG ARG A 66 -12.754 -3.217 6.036 1.00 0.00 C ATOM 910 CD ARG A 66 -12.526 -2.477 7.345 1.00 0.00 C ATOM 911 NE ARG A 66 -13.547 -1.460 7.585 1.00 0.00 N ATOM 912 CZ ARG A 66 -14.764 -1.728 8.051 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.117 -2.978 8.330 1.00 0.00 N ATOM 914 NH2 ARG A 66 -15.633 -0.744 8.240 1.00 0.00 N ATOM 0 H ARG A 66 -11.505 -7.344 5.586 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.846 -4.797 4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.488 -5.221 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.063 -4.903 7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.084 -2.822 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.772 -3.039 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.525 -3.190 8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.543 -2.007 7.329 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.313 -0.488 7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.453 -3.739 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.052 -3.176 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.368 0.218 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.566 -0.949 8.597 1.00 0.00 H new ATOM 928 N TYR A 67 -9.519 -4.194 4.739 1.00 0.00 N ATOM 929 CA TYR A 67 -8.109 -3.911 4.976 1.00 0.00 C ATOM 930 C TYR A 67 -7.939 -2.623 5.775 1.00 0.00 C ATOM 931 O TYR A 67 -6.999 -2.484 6.557 1.00 0.00 O ATOM 932 CB TYR A 67 -7.357 -3.803 3.648 1.00 0.00 C ATOM 933 CG TYR A 67 -7.557 -4.995 2.740 1.00 0.00 C ATOM 934 CD1 TYR A 67 -8.775 -5.216 2.110 1.00 0.00 C ATOM 935 CD2 TYR A 67 -6.527 -5.899 2.512 1.00 0.00 C ATOM 936 CE1 TYR A 67 -8.962 -6.304 1.280 1.00 0.00 C ATOM 937 CE2 TYR A 67 -6.706 -6.990 1.683 1.00 0.00 C ATOM 938 CZ TYR A 67 -7.924 -7.188 1.069 1.00 0.00 C ATOM 939 OH TYR A 67 -8.105 -8.272 0.242 1.00 0.00 O ATOM 0 H TYR A 67 -9.945 -3.631 4.002 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.692 -4.735 5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.683 -2.902 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.293 -3.686 3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.589 -4.525 2.272 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.571 -5.747 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.916 -6.462 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.895 -7.684 1.517 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.276 -8.794 0.200 1.00 0.00 H new ATOM 949 N PHE A 68 -8.856 -1.683 5.572 1.00 0.00 N ATOM 950 CA PHE A 68 -8.808 -0.405 6.274 1.00 0.00 C ATOM 951 C PHE A 68 -10.090 0.390 6.046 1.00 0.00 C ATOM 952 O PHE A 68 -10.917 0.027 5.210 1.00 0.00 O ATOM 953 CB PHE A 68 -7.599 0.409 5.808 1.00 0.00 C ATOM 954 CG PHE A 68 -7.529 0.579 4.318 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.063 -0.447 3.511 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.926 1.766 3.723 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.996 -0.293 2.140 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.862 1.926 2.352 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.397 0.895 1.559 1.00 0.00 C ATOM 0 H PHE A 68 -9.641 -1.782 4.928 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.713 -0.607 7.341 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.631 1.393 6.277 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.688 -0.079 6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.749 -1.378 3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.290 2.576 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.631 -1.100 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.175 2.856 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.347 1.017 0.487 1.00 0.00 H new ATOM 969 N ILE A 69 -10.247 1.476 6.795 1.00 0.00 N ATOM 970 CA ILE A 69 -11.426 2.324 6.675 1.00 0.00 C ATOM 971 C ILE A 69 -11.077 3.662 6.032 1.00 0.00 C ATOM 972 O ILE A 69 -10.318 4.452 6.594 1.00 0.00 O ATOM 973 CB ILE A 69 -12.077 2.581 8.049 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.289 1.262 8.796 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.398 3.319 7.881 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.900 1.325 10.257 1.00 0.00 C ATOM 0 H ILE A 69 -9.572 1.790 7.492 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.135 1.792 6.040 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.406 3.206 8.639 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.338 0.975 8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.708 0.480 8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.845 3.493 8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.221 4.275 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.076 2.718 7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.077 0.356 10.723 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.844 1.581 10.342 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.499 2.084 10.761 1.00 0.00 H new ATOM 988 N CYS A 70 -11.634 3.911 4.852 1.00 0.00 N ATOM 989 CA CYS A 70 -11.380 5.153 4.134 1.00 0.00 C ATOM 990 C CYS A 70 -12.648 5.657 3.448 1.00 0.00 C ATOM 991 O CYS A 70 -13.594 4.897 3.237 1.00 0.00 O ATOM 992 CB CYS A 70 -10.273 4.951 3.098 1.00 0.00 C ATOM 993 SG CYS A 70 -10.691 3.775 1.790 1.00 0.00 S ATOM 0 H CYS A 70 -12.265 3.268 4.373 1.00 0.00 H new ATOM 0 HA CYS A 70 -11.059 5.901 4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.035 5.913 2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.372 4.607 3.607 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.880 2.760 1.844 1.00 0.00 H new ATOM 999 N PRO A 71 -12.684 6.951 3.088 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.842 7.554 2.420 1.00 0.00 C ATOM 1001 C PRO A 71 -14.240 6.795 1.158 1.00 0.00 C ATOM 1002 O PRO A 71 -13.500 5.932 0.685 1.00 0.00 O ATOM 1003 CB PRO A 71 -13.361 8.964 2.066 1.00 0.00 C ATOM 1004 CG PRO A 71 -12.262 9.247 3.033 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.598 7.926 3.301 1.00 0.00 C ATOM 0 HA PRO A 71 -14.728 7.541 3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.005 9.013 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.167 9.692 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.553 9.964 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.654 9.681 3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.762 7.751 2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.203 7.873 4.315 1.00 0.00 H new ATOM 1013 N PRO A 72 -15.418 7.108 0.590 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.907 6.450 -0.626 1.00 0.00 C ATOM 1015 C PRO A 72 -14.993 6.695 -1.822 1.00 0.00 C ATOM 1016 O PRO A 72 -14.774 7.837 -2.224 1.00 0.00 O ATOM 1017 CB PRO A 72 -17.281 7.089 -0.862 1.00 0.00 C ATOM 1018 CG PRO A 72 -17.246 8.373 -0.104 1.00 0.00 C ATOM 1019 CD PRO A 72 -16.361 8.125 1.083 1.00 0.00 C ATOM 0 HA PRO A 72 -15.946 5.367 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.458 7.262 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -18.083 6.442 -0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.854 9.181 -0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.247 8.669 0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.846 9.033 1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.929 7.766 1.941 1.00 0.00 H new ATOM 1027 N LYS A 73 -14.459 5.614 -2.382 1.00 0.00 N ATOM 1028 CA LYS A 73 -13.565 5.712 -3.531 1.00 0.00 C ATOM 1029 C LYS A 73 -12.308 6.497 -3.175 1.00 0.00 C ATOM 1030 O LYS A 73 -12.252 7.714 -3.355 1.00 0.00 O ATOM 1031 CB LYS A 73 -14.281 6.377 -4.708 1.00 0.00 C ATOM 1032 CG LYS A 73 -15.507 5.617 -5.183 1.00 0.00 C ATOM 1033 CD LYS A 73 -16.522 6.546 -5.829 1.00 0.00 C ATOM 1034 CE LYS A 73 -17.191 7.442 -4.799 1.00 0.00 C ATOM 1035 NZ LYS A 73 -17.499 8.790 -5.352 1.00 0.00 N ATOM 0 H LYS A 73 -14.629 4.661 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.272 4.702 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.578 7.385 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.582 6.477 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.207 4.851 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.968 5.103 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.027 7.161 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.279 5.956 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.112 6.973 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.540 7.546 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.954 9.370 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.618 9.249 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.140 8.693 -6.165 1.00 0.00 H new ATOM 1049 N GLN A 74 -11.301 5.794 -2.668 1.00 0.00 N ATOM 1050 CA GLN A 74 -10.044 6.425 -2.286 1.00 0.00 C ATOM 1051 C GLN A 74 -8.924 5.393 -2.188 1.00 0.00 C ATOM 1052 O GLN A 74 -7.812 5.622 -2.661 1.00 0.00 O ATOM 1053 CB GLN A 74 -10.200 7.152 -0.948 1.00 0.00 C ATOM 1054 CG GLN A 74 -9.300 8.369 -0.809 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.726 9.283 0.323 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.738 9.977 0.229 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.952 9.287 1.402 1.00 0.00 N ATOM 0 H GLN A 74 -11.331 4.786 -2.512 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.781 7.149 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.238 7.463 -0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.983 6.456 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.275 8.040 -0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.305 8.929 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.122 8.695 1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.188 9.882 2.196 1.00 0.00 H new ATOM 1066 N GLY A 75 -9.228 4.255 -1.570 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.237 3.205 -1.422 1.00 0.00 C ATOM 1068 C GLY A 75 -8.095 2.360 -2.672 1.00 0.00 C ATOM 1069 O GLY A 75 -9.059 2.168 -3.412 1.00 0.00 O ATOM 0 H GLY A 75 -10.142 4.042 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.273 3.652 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.513 2.565 -0.584 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.888 1.855 -2.909 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.623 1.026 -4.078 1.00 0.00 C ATOM 1075 C LEU A 76 -5.626 -0.080 -3.746 1.00 0.00 C ATOM 1076 O LEU A 76 -4.754 0.092 -2.895 1.00 0.00 O ATOM 1077 CB LEU A 76 -6.086 1.883 -5.226 1.00 0.00 C ATOM 1078 CG LEU A 76 -6.257 1.277 -6.621 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -7.500 1.834 -7.297 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -5.023 1.541 -7.472 1.00 0.00 C ATOM 0 H LEU A 76 -6.079 2.006 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.562 0.565 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.588 2.850 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.026 2.070 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.378 0.199 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.605 1.391 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.378 1.594 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.409 2.916 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.162 1.103 -8.460 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.871 2.616 -7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.150 1.093 -6.996 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.760 -1.214 -4.426 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.870 -2.348 -4.204 1.00 0.00 C ATOM 1094 C PHE A 77 -3.936 -2.546 -5.394 1.00 0.00 C ATOM 1095 O PHE A 77 -4.383 -2.645 -6.537 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.683 -3.621 -3.962 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.553 -3.556 -2.739 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.009 -3.724 -1.476 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.914 -3.325 -2.854 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -6.806 -3.664 -0.349 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.717 -3.264 -1.730 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.162 -3.434 -0.477 1.00 0.00 C ATOM 0 H PHE A 77 -6.476 -1.372 -5.135 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.266 -2.138 -3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.309 -3.813 -4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.000 -4.466 -3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.949 -3.904 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.353 -3.191 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.370 -3.797 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.777 -3.084 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.788 -3.387 0.402 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.637 -2.601 -5.116 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.640 -2.787 -6.164 1.00 0.00 C ATOM 1114 C ALA A 78 -0.540 -3.739 -5.711 1.00 0.00 C ATOM 1115 O ALA A 78 -0.435 -4.066 -4.529 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.048 -1.447 -6.570 1.00 0.00 C ATOM 0 H ALA A 78 -2.251 -2.520 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.134 -3.231 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.305 -1.600 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.840 -0.797 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.574 -0.982 -5.706 1.00 0.00 H new ATOM 1122 N SER A 79 0.280 -4.181 -6.659 1.00 0.00 N ATOM 1123 CA SER A 79 1.375 -5.096 -6.357 1.00 0.00 C ATOM 1124 C SER A 79 2.579 -4.340 -5.804 1.00 0.00 C ATOM 1125 O SER A 79 2.830 -3.193 -6.176 1.00 0.00 O ATOM 1126 CB SER A 79 1.779 -5.872 -7.612 1.00 0.00 C ATOM 1127 OG SER A 79 0.658 -6.508 -8.201 1.00 0.00 O ATOM 0 H SER A 79 0.207 -3.921 -7.642 1.00 0.00 H new ATOM 0 HA SER A 79 1.030 -5.798 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.236 -5.193 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.531 -6.618 -7.356 1.00 0.00 H new ATOM 0 HG SER A 79 0.344 -7.227 -7.614 1.00 0.00 H new ATOM 1133 N VAL A 80 3.321 -4.989 -4.914 1.00 0.00 N ATOM 1134 CA VAL A 80 4.499 -4.379 -4.310 1.00 0.00 C ATOM 1135 C VAL A 80 5.520 -3.983 -5.372 1.00 0.00 C ATOM 1136 O VAL A 80 6.274 -3.026 -5.197 1.00 0.00 O ATOM 1137 CB VAL A 80 5.169 -5.329 -3.300 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.341 -5.427 -2.028 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.376 -6.704 -3.917 1.00 0.00 C ATOM 0 H VAL A 80 3.127 -5.938 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 80 4.158 -3.486 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 80 6.146 -4.922 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.830 -6.103 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.249 -4.439 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.349 -5.810 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.851 -7.362 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.412 -7.121 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.014 -6.616 -4.796 1.00 0.00 H new ATOM 1149 N SER A 81 5.538 -4.726 -6.474 1.00 0.00 N ATOM 1150 CA SER A 81 6.465 -4.453 -7.566 1.00 0.00 C ATOM 1151 C SER A 81 6.200 -3.081 -8.178 1.00 0.00 C ATOM 1152 O SER A 81 7.111 -2.433 -8.691 1.00 0.00 O ATOM 1153 CB SER A 81 6.351 -5.534 -8.642 1.00 0.00 C ATOM 1154 OG SER A 81 5.042 -6.073 -8.686 1.00 0.00 O ATOM 0 H SER A 81 4.921 -5.522 -6.634 1.00 0.00 H new ATOM 0 HA SER A 81 7.476 -4.459 -7.159 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.607 -5.112 -9.614 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.069 -6.329 -8.440 1.00 0.00 H new ATOM 0 HG SER A 81 4.995 -6.760 -9.383 1.00 0.00 H new ATOM 1160 N LYS A 82 4.945 -2.644 -8.120 1.00 0.00 N ATOM 1161 CA LYS A 82 4.561 -1.350 -8.671 1.00 0.00 C ATOM 1162 C LYS A 82 4.486 -0.292 -7.574 1.00 0.00 C ATOM 1163 O LYS A 82 3.686 0.639 -7.649 1.00 0.00 O ATOM 1164 CB LYS A 82 3.212 -1.455 -9.384 1.00 0.00 C ATOM 1165 CG LYS A 82 3.151 -2.581 -10.404 1.00 0.00 C ATOM 1166 CD LYS A 82 3.795 -2.177 -11.719 1.00 0.00 C ATOM 1167 CE LYS A 82 5.237 -2.650 -11.803 1.00 0.00 C ATOM 1168 NZ LYS A 82 6.112 -1.650 -12.476 1.00 0.00 N ATOM 0 H LYS A 82 4.178 -3.167 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 82 5.323 -1.050 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.428 -1.605 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.000 -0.510 -9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.656 -3.461 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.112 -2.860 -10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.225 -2.596 -12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.760 -1.093 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.614 -2.845 -10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.278 -3.593 -12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.087 -2.011 -12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.768 -1.483 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.093 -0.757 -11.943 1.00 0.00 H new ATOM 1182 N ILE A 83 5.329 -0.441 -6.556 1.00 0.00 N ATOM 1183 CA ILE A 83 5.358 0.502 -5.445 1.00 0.00 C ATOM 1184 C ILE A 83 6.772 0.659 -4.896 1.00 0.00 C ATOM 1185 O ILE A 83 7.600 -0.243 -5.016 1.00 0.00 O ATOM 1186 CB ILE A 83 4.422 0.058 -4.305 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.037 -0.286 -4.855 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.322 1.145 -3.246 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.081 -0.808 -3.805 1.00 0.00 C ATOM 0 H ILE A 83 6.000 -1.205 -6.479 1.00 0.00 H new ATOM 0 HA ILE A 83 5.013 1.460 -5.834 1.00 0.00 H new ATOM 0 HB ILE A 83 4.840 -0.836 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.607 0.603 -5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.143 -1.033 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.657 0.815 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.312 1.344 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.926 2.056 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.119 -1.031 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.489 -1.716 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.945 -0.054 -3.030 1.00 0.00 H new ATOM 1201 N SER A 84 7.042 1.812 -4.292 1.00 0.00 N ATOM 1202 CA SER A 84 8.356 2.088 -3.724 1.00 0.00 C ATOM 1203 C SER A 84 8.230 2.709 -2.336 1.00 0.00 C ATOM 1204 O SER A 84 7.148 3.141 -1.934 1.00 0.00 O ATOM 1205 CB SER A 84 9.147 3.022 -4.642 1.00 0.00 C ATOM 1206 OG SER A 84 10.519 2.669 -4.670 1.00 0.00 O ATOM 0 H SER A 84 6.368 2.570 -4.184 1.00 0.00 H new ATOM 0 HA SER A 84 8.889 1.142 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.737 2.979 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.040 4.051 -4.298 1.00 0.00 H new ATOM 0 HG SER A 84 11.002 3.280 -5.265 1.00 0.00 H new ATOM 1212 N LYS A 85 9.341 2.752 -1.609 1.00 0.00 N ATOM 1213 CA LYS A 85 9.355 3.321 -0.266 1.00 0.00 C ATOM 1214 C LYS A 85 9.373 4.845 -0.321 1.00 0.00 C ATOM 1215 O LYS A 85 10.230 5.442 -0.972 1.00 0.00 O ATOM 1216 CB LYS A 85 10.569 2.814 0.514 1.00 0.00 C ATOM 1217 CG LYS A 85 10.393 1.409 1.069 1.00 0.00 C ATOM 1218 CD LYS A 85 11.100 0.374 0.208 1.00 0.00 C ATOM 1219 CE LYS A 85 11.808 -0.669 1.057 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.140 -1.029 0.497 1.00 0.00 N ATOM 0 H LYS A 85 10.244 2.400 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 85 8.446 3.004 0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.442 2.831 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.773 3.498 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.785 1.367 2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.331 1.171 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.375 -0.116 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.824 0.870 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.931 -0.289 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.189 -1.563 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.372 -2.009 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.117 -0.940 -0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.863 -0.389 0.883 1.00 0.00 H new ATOM 1234 N ALA A 86 8.422 5.468 0.366 1.00 0.00 N ATOM 1235 CA ALA A 86 8.330 6.923 0.397 1.00 0.00 C ATOM 1236 C ALA A 86 9.283 7.512 1.431 1.00 0.00 C ATOM 1237 O ALA A 86 9.538 6.904 2.471 1.00 0.00 O ATOM 1238 CB ALA A 86 6.900 7.354 0.687 1.00 0.00 C ATOM 0 H ALA A 86 7.704 4.988 0.909 1.00 0.00 H new ATOM 0 HA ALA A 86 8.621 7.302 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.845 8.442 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.240 6.972 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.589 6.957 1.653 1.00 0.00 H new