USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.855 USER MOD Set 2.2: A 77 SER OG : rot 113:sc= 0.00161 USER MOD Single : A 16 SER OG : rot 27:sc= 0.022 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -8:sc= 1.03 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -154:sc= -1.2 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.85! C(o=-1.8!,f=-9.9!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 50 SER OG : rot -15:sc= 0.52 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= -0.496 (180deg=-0.681) USER MOD Single : A 57 LYS NZ :NH3+ -115:sc= 0.0301 (180deg=-0.104) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.089 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= 0.00908 (180deg=0.000999) USER MOD Single : A 88 SER OG : rot 180:sc= -0.883 USER MOD Single : A 89 TYR OH : rot -117:sc= 0.0992 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.97! C(o=-7!,f=-20!) USER MOD Single : A 98 MET CE :methyl 146:sc= -7.18! (180deg=-10.7!) USER MOD Single : A 102 SER OG : rot 84:sc= 0.787 USER MOD Single : A 105 SER OG : rot 100:sc= 1.01 USER MOD Single : A 108 SER OG : rot 137:sc= 0.0418 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.373 -13.369 -1.930 1.00 0.00 N ATOM 170 CA LEU A 15 -18.975 -13.120 -1.594 1.00 0.00 C ATOM 171 C LEU A 15 -18.771 -11.675 -1.150 1.00 0.00 C ATOM 172 O LEU A 15 -19.726 -10.905 -1.055 1.00 0.00 O ATOM 173 CB LEU A 15 -18.079 -13.429 -2.794 1.00 0.00 C ATOM 174 CG LEU A 15 -17.557 -14.863 -2.891 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.345 -15.257 -4.345 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.263 -15.013 -2.102 1.00 0.00 C ATOM 0 HA LEU A 15 -18.703 -13.776 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.635 -13.204 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.224 -12.754 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.303 -15.531 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.973 -16.281 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.291 -15.188 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.619 -14.585 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.905 -16.040 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.511 -14.334 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.446 -14.773 -1.055 1.00 0.00 H new ATOM 188 N SER A 16 -17.520 -11.314 -0.884 1.00 0.00 N ATOM 189 CA SER A 16 -17.190 -9.962 -0.449 1.00 0.00 C ATOM 190 C SER A 16 -15.823 -9.540 -0.977 1.00 0.00 C ATOM 191 O SER A 16 -15.001 -10.365 -1.375 1.00 0.00 O ATOM 192 CB SER A 16 -17.210 -9.875 1.078 1.00 0.00 C ATOM 193 OG SER A 16 -18.494 -9.510 1.552 1.00 0.00 O ATOM 0 H SER A 16 -16.718 -11.939 -0.962 1.00 0.00 H new ATOM 0 HA SER A 16 -17.941 -9.283 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.922 -10.836 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.474 -9.144 1.413 1.00 0.00 H new ATOM 0 HG SER A 16 -19.175 -9.804 0.912 1.00 0.00 H new ATOM 199 N PRO A 17 -15.571 -8.222 -0.980 1.00 0.00 N ATOM 200 CA PRO A 17 -14.305 -7.659 -1.455 1.00 0.00 C ATOM 201 C PRO A 17 -13.142 -7.978 -0.521 1.00 0.00 C ATOM 202 O PRO A 17 -13.325 -8.472 0.592 1.00 0.00 O ATOM 203 CB PRO A 17 -14.573 -6.152 -1.479 1.00 0.00 C ATOM 204 CG PRO A 17 -15.652 -5.943 -0.474 1.00 0.00 C ATOM 205 CD PRO A 17 -16.505 -7.181 -0.519 1.00 0.00 C ATOM 0 HA PRO A 17 -14.014 -8.069 -2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.677 -5.587 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.885 -5.821 -2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.234 -5.793 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.239 -5.056 -0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.920 -7.419 0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.346 -7.065 -1.202 1.00 0.00 H new ATOM 213 N PRO A 18 -11.916 -7.691 -0.982 1.00 0.00 N ATOM 214 CA PRO A 18 -10.699 -7.939 -0.202 1.00 0.00 C ATOM 215 C PRO A 18 -10.576 -7.000 0.994 1.00 0.00 C ATOM 216 O PRO A 18 -11.065 -5.872 0.962 1.00 0.00 O ATOM 217 CB PRO A 18 -9.574 -7.674 -1.206 1.00 0.00 C ATOM 218 CG PRO A 18 -10.167 -6.736 -2.201 1.00 0.00 C ATOM 219 CD PRO A 18 -11.622 -7.102 -2.299 1.00 0.00 C ATOM 0 HA PRO A 18 -10.684 -8.943 0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.703 -7.235 -0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.242 -8.597 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.046 -5.701 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.675 -6.831 -3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.243 -6.229 -2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.804 -7.812 -3.106 1.00 0.00 H new ATOM 227 N GLU A 19 -9.919 -7.475 2.047 1.00 0.00 N ATOM 228 CA GLU A 19 -9.732 -6.677 3.254 1.00 0.00 C ATOM 229 C GLU A 19 -8.411 -5.916 3.205 1.00 0.00 C ATOM 230 O GLU A 19 -7.616 -6.092 2.282 1.00 0.00 O ATOM 231 CB GLU A 19 -9.773 -7.571 4.495 1.00 0.00 C ATOM 232 CG GLU A 19 -8.415 -8.125 4.890 1.00 0.00 C ATOM 233 CD GLU A 19 -8.468 -8.945 6.164 1.00 0.00 C ATOM 234 OE1 GLU A 19 -9.569 -9.409 6.525 1.00 0.00 O ATOM 235 OE2 GLU A 19 -7.408 -9.124 6.801 1.00 0.00 O ATOM 0 H GLU A 19 -9.507 -8.407 2.089 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.545 -5.954 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.180 -7.001 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.456 -8.401 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.030 -8.744 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.715 -7.300 5.022 1.00 0.00 H new ATOM 242 N ALA A 20 -8.184 -5.070 4.204 1.00 0.00 N ATOM 243 CA ALA A 20 -6.959 -4.283 4.276 1.00 0.00 C ATOM 244 C ALA A 20 -5.748 -5.175 4.530 1.00 0.00 C ATOM 245 O ALA A 20 -5.683 -5.908 5.517 1.00 0.00 O ATOM 246 CB ALA A 20 -7.075 -3.225 5.362 1.00 0.00 C ATOM 0 H ALA A 20 -8.833 -4.912 4.975 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.817 -3.788 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.153 -2.645 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.911 -2.562 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.244 -3.708 6.324 1.00 0.00 H new ATOM 252 N PRO A 21 -4.765 -5.113 3.620 1.00 0.00 N ATOM 253 CA PRO A 21 -3.538 -5.909 3.724 1.00 0.00 C ATOM 254 C PRO A 21 -2.642 -5.445 4.867 1.00 0.00 C ATOM 255 O PRO A 21 -2.785 -4.329 5.366 1.00 0.00 O ATOM 256 CB PRO A 21 -2.851 -5.677 2.377 1.00 0.00 C ATOM 257 CG PRO A 21 -3.364 -4.359 1.911 1.00 0.00 C ATOM 258 CD PRO A 21 -4.776 -4.262 2.419 1.00 0.00 C ATOM 0 HA PRO A 21 -3.748 -6.957 3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.766 -5.664 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.093 -6.469 1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.753 -3.543 2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.335 -4.291 0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.048 -3.234 2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.494 -4.618 1.681 1.00 0.00 H new ATOM 266 N ASP A 22 -1.718 -6.308 5.276 1.00 0.00 N ATOM 267 CA ASP A 22 -0.797 -5.985 6.359 1.00 0.00 C ATOM 268 C ASP A 22 -0.107 -4.649 6.106 1.00 0.00 C ATOM 269 O ASP A 22 -0.293 -4.032 5.057 1.00 0.00 O ATOM 270 CB ASP A 22 0.249 -7.092 6.514 1.00 0.00 C ATOM 271 CG ASP A 22 0.778 -7.192 7.931 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.021 -7.643 8.817 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.949 -6.821 8.155 1.00 0.00 O ATOM 0 H ASP A 22 -1.587 -7.236 4.874 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.373 -5.907 7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.191 -8.047 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.078 -6.903 5.832 1.00 0.00 H new ATOM 278 N ARG A 23 0.688 -4.207 7.074 1.00 0.00 N ATOM 279 CA ARG A 23 1.404 -2.942 6.958 1.00 0.00 C ATOM 280 C ARG A 23 2.661 -3.105 6.110 1.00 0.00 C ATOM 281 O ARG A 23 3.536 -3.921 6.403 1.00 0.00 O ATOM 282 CB ARG A 23 1.775 -2.412 8.344 1.00 0.00 C ATOM 283 CG ARG A 23 1.992 -0.908 8.384 1.00 0.00 C ATOM 284 CD ARG A 23 1.919 -0.372 9.805 1.00 0.00 C ATOM 285 NE ARG A 23 3.151 -0.620 10.548 1.00 0.00 N ATOM 286 CZ ARG A 23 3.335 -0.251 11.811 1.00 0.00 C ATOM 287 NH1 ARG A 23 2.371 0.379 12.467 1.00 0.00 N ATOM 288 NH2 ARG A 23 4.484 -0.513 12.420 1.00 0.00 N ATOM 0 H ARG A 23 0.853 -4.706 7.948 1.00 0.00 H new ATOM 0 HA ARG A 23 0.746 -2.225 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.985 -2.675 9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.683 -2.911 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.964 -0.668 7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.240 -0.414 7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.721 0.700 9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.082 -0.838 10.325 1.00 0.00 H new ATOM 0 HE ARG A 23 3.912 -1.103 10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.486 0.581 12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.514 0.661 13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.228 -0.998 11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.624 -0.229 13.390 1.00 0.00 H new ATOM 302 N PRO A 24 2.756 -2.312 5.033 1.00 0.00 N ATOM 303 CA PRO A 24 3.903 -2.349 4.121 1.00 0.00 C ATOM 304 C PRO A 24 5.172 -1.796 4.760 1.00 0.00 C ATOM 305 O PRO A 24 5.125 -0.836 5.530 1.00 0.00 O ATOM 306 CB PRO A 24 3.459 -1.458 2.957 1.00 0.00 C ATOM 307 CG PRO A 24 2.456 -0.532 3.551 1.00 0.00 C ATOM 308 CD PRO A 24 1.752 -1.316 4.623 1.00 0.00 C ATOM 0 HA PRO A 24 4.155 -3.367 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.301 -0.911 2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.024 -2.048 2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.939 0.352 3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.751 -0.184 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.454 -0.679 5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.847 -1.791 4.245 1.00 0.00 H new ATOM 316 N THR A 25 6.306 -2.410 4.439 1.00 0.00 N ATOM 317 CA THR A 25 7.588 -1.980 4.983 1.00 0.00 C ATOM 318 C THR A 25 8.279 -0.992 4.049 1.00 0.00 C ATOM 319 O THR A 25 7.976 -0.936 2.857 1.00 0.00 O ATOM 320 CB THR A 25 8.525 -3.178 5.227 1.00 0.00 C ATOM 321 OG1 THR A 25 9.537 -2.822 6.175 1.00 0.00 O ATOM 322 CG2 THR A 25 9.175 -3.630 3.929 1.00 0.00 C ATOM 0 H THR A 25 6.363 -3.207 3.805 1.00 0.00 H new ATOM 0 HA THR A 25 7.379 -1.491 5.935 1.00 0.00 H new ATOM 0 HB THR A 25 7.931 -4.002 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.128 -3.589 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.832 -4.477 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.403 -3.928 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.757 -2.810 3.509 1.00 0.00 H new ATOM 330 N ILE A 26 9.207 -0.216 4.597 1.00 0.00 N ATOM 331 CA ILE A 26 9.942 0.768 3.812 1.00 0.00 C ATOM 332 C ILE A 26 11.445 0.517 3.883 1.00 0.00 C ATOM 333 O ILE A 26 12.041 0.559 4.959 1.00 0.00 O ATOM 334 CB ILE A 26 9.649 2.203 4.290 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.193 2.323 4.748 1.00 0.00 C ATOM 336 CG2 ILE A 26 9.945 3.202 3.181 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.193 1.866 3.710 1.00 0.00 C ATOM 0 H ILE A 26 9.468 -0.249 5.582 1.00 0.00 H new ATOM 0 HA ILE A 26 9.607 0.662 2.780 1.00 0.00 H new ATOM 0 HB ILE A 26 10.297 2.428 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.057 1.735 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.987 3.361 5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.733 4.211 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.995 3.130 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.319 2.981 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.183 1.979 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.302 2.470 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.373 0.818 3.468 1.00 0.00 H new ATOM 349 N SER A 27 12.050 0.260 2.728 1.00 0.00 N ATOM 350 CA SER A 27 13.483 0.001 2.659 1.00 0.00 C ATOM 351 C SER A 27 14.182 1.036 1.783 1.00 0.00 C ATOM 352 O SER A 27 13.561 1.993 1.317 1.00 0.00 O ATOM 353 CB SER A 27 13.743 -1.405 2.112 1.00 0.00 C ATOM 354 OG SER A 27 13.689 -2.372 3.146 1.00 0.00 O ATOM 0 H SER A 27 11.571 0.226 1.828 1.00 0.00 H new ATOM 0 HA SER A 27 13.888 0.072 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.004 -1.644 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.721 -1.437 1.631 1.00 0.00 H new ATOM 0 HG SER A 27 13.857 -3.262 2.771 1.00 0.00 H new ATOM 360 N THR A 28 15.478 0.840 1.562 1.00 0.00 N ATOM 361 CA THR A 28 16.261 1.756 0.744 1.00 0.00 C ATOM 362 C THR A 28 16.515 1.175 -0.642 1.00 0.00 C ATOM 363 O THR A 28 17.394 0.333 -0.823 1.00 0.00 O ATOM 364 CB THR A 28 17.613 2.084 1.405 1.00 0.00 C ATOM 365 OG1 THR A 28 17.402 2.585 2.730 1.00 0.00 O ATOM 366 CG2 THR A 28 18.382 3.111 0.586 1.00 0.00 C ATOM 0 H THR A 28 16.007 0.054 1.939 1.00 0.00 H new ATOM 0 HA THR A 28 15.678 2.672 0.650 1.00 0.00 H new ATOM 0 HB THR A 28 18.200 1.167 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.266 2.789 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.333 3.326 1.073 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.567 2.715 -0.413 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.797 4.028 0.510 1.00 0.00 H new ATOM 374 N ALA A 29 15.739 1.631 -1.621 1.00 0.00 N ATOM 375 CA ALA A 29 15.882 1.158 -2.992 1.00 0.00 C ATOM 376 C ALA A 29 16.601 2.189 -3.856 1.00 0.00 C ATOM 377 O ALA A 29 17.411 1.836 -4.714 1.00 0.00 O ATOM 378 CB ALA A 29 14.517 0.833 -3.583 1.00 0.00 C ATOM 0 H ALA A 29 15.005 2.327 -1.489 1.00 0.00 H new ATOM 0 HA ALA A 29 16.485 0.250 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.639 0.481 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.038 0.056 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.896 1.729 -3.579 1.00 0.00 H new ATOM 384 N SER A 30 16.301 3.462 -3.624 1.00 0.00 N ATOM 385 CA SER A 30 16.917 4.544 -4.384 1.00 0.00 C ATOM 386 C SER A 30 16.779 5.873 -3.648 1.00 0.00 C ATOM 387 O SER A 30 16.213 5.933 -2.557 1.00 0.00 O ATOM 388 CB SER A 30 16.280 4.648 -5.771 1.00 0.00 C ATOM 389 OG SER A 30 16.581 3.508 -6.558 1.00 0.00 O ATOM 0 H SER A 30 15.635 3.770 -2.916 1.00 0.00 H new ATOM 0 HA SER A 30 17.978 4.319 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.199 4.750 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.640 5.546 -6.273 1.00 0.00 H new ATOM 0 HG SER A 30 17.241 2.953 -6.091 1.00 0.00 H new ATOM 395 N GLU A 31 17.300 6.935 -4.254 1.00 0.00 N ATOM 396 CA GLU A 31 17.235 8.263 -3.655 1.00 0.00 C ATOM 397 C GLU A 31 15.878 8.912 -3.914 1.00 0.00 C ATOM 398 O GLU A 31 15.466 9.825 -3.198 1.00 0.00 O ATOM 399 CB GLU A 31 18.351 9.152 -4.210 1.00 0.00 C ATOM 400 CG GLU A 31 17.998 10.629 -4.233 1.00 0.00 C ATOM 401 CD GLU A 31 19.115 11.487 -4.794 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.024 11.857 -4.022 1.00 0.00 O ATOM 403 OE2 GLU A 31 19.081 11.789 -6.006 1.00 0.00 O ATOM 0 H GLU A 31 17.771 6.902 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 31 17.367 8.154 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 31 19.249 9.011 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.592 8.829 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.098 10.774 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.765 10.959 -3.221 1.00 0.00 H new ATOM 410 N THR A 32 15.188 8.433 -4.945 1.00 0.00 N ATOM 411 CA THR A 32 13.878 8.966 -5.300 1.00 0.00 C ATOM 412 C THR A 32 12.794 7.904 -5.154 1.00 0.00 C ATOM 413 O THR A 32 11.613 8.175 -5.369 1.00 0.00 O ATOM 414 CB THR A 32 13.864 9.503 -6.743 1.00 0.00 C ATOM 415 OG1 THR A 32 14.452 8.544 -7.629 1.00 0.00 O ATOM 416 CG2 THR A 32 14.619 10.820 -6.838 1.00 0.00 C ATOM 0 H THR A 32 15.514 7.678 -5.548 1.00 0.00 H new ATOM 0 HA THR A 32 13.673 9.786 -4.612 1.00 0.00 H new ATOM 0 HB THR A 32 12.827 9.676 -7.033 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.438 8.893 -8.545 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.595 11.180 -7.867 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.150 11.556 -6.185 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.654 10.669 -6.530 1.00 0.00 H new ATOM 424 N SER A 33 13.203 6.693 -4.787 1.00 0.00 N ATOM 425 CA SER A 33 12.267 5.589 -4.616 1.00 0.00 C ATOM 426 C SER A 33 12.672 4.713 -3.435 1.00 0.00 C ATOM 427 O SER A 33 13.801 4.786 -2.950 1.00 0.00 O ATOM 428 CB SER A 33 12.200 4.747 -5.891 1.00 0.00 C ATOM 429 OG SER A 33 13.167 3.712 -5.869 1.00 0.00 O ATOM 0 H SER A 33 14.177 6.452 -4.603 1.00 0.00 H new ATOM 0 HA SER A 33 11.281 6.008 -4.414 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.204 4.316 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.364 5.384 -6.760 1.00 0.00 H new ATOM 0 HG SER A 33 13.400 3.463 -6.788 1.00 0.00 H new ATOM 435 N VAL A 34 11.740 3.883 -2.975 1.00 0.00 N ATOM 436 CA VAL A 34 11.997 2.991 -1.851 1.00 0.00 C ATOM 437 C VAL A 34 11.299 1.649 -2.042 1.00 0.00 C ATOM 438 O VAL A 34 10.203 1.582 -2.601 1.00 0.00 O ATOM 439 CB VAL A 34 11.532 3.614 -0.522 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.315 4.884 -0.224 1.00 0.00 C ATOM 441 CG2 VAL A 34 10.038 3.896 -0.560 1.00 0.00 C ATOM 0 H VAL A 34 10.800 3.810 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 34 13.075 2.834 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 34 11.724 2.901 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.972 5.310 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.377 4.648 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.158 5.605 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.727 4.336 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.819 4.590 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.496 2.964 -0.723 1.00 0.00 H new ATOM 451 N TYR A 35 11.939 0.583 -1.577 1.00 0.00 N ATOM 452 CA TYR A 35 11.381 -0.758 -1.698 1.00 0.00 C ATOM 453 C TYR A 35 10.255 -0.973 -0.691 1.00 0.00 C ATOM 454 O TYR A 35 10.483 -0.989 0.518 1.00 0.00 O ATOM 455 CB TYR A 35 12.472 -1.809 -1.491 1.00 0.00 C ATOM 456 CG TYR A 35 13.394 -1.968 -2.680 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.884 -2.141 -3.961 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.774 -1.941 -2.521 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.723 -2.287 -5.048 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.620 -2.084 -3.604 1.00 0.00 C ATOM 461 CZ TYR A 35 15.090 -2.258 -4.865 1.00 0.00 C ATOM 462 OH TYR A 35 15.928 -2.401 -5.947 1.00 0.00 O ATOM 0 H TYR A 35 12.846 0.621 -1.112 1.00 0.00 H new ATOM 0 HA TYR A 35 10.971 -0.863 -2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.064 -1.539 -0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.003 -2.769 -1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.814 -2.162 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.192 -1.806 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.311 -2.423 -6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.691 -2.060 -3.464 1.00 0.00 H new ATOM 0 HH TYR A 35 16.860 -2.356 -5.647 1.00 0.00 H new ATOM 472 N VAL A 36 9.038 -1.139 -1.200 1.00 0.00 N ATOM 473 CA VAL A 36 7.876 -1.354 -0.347 1.00 0.00 C ATOM 474 C VAL A 36 7.401 -2.800 -0.420 1.00 0.00 C ATOM 475 O VAL A 36 7.120 -3.320 -1.501 1.00 0.00 O ATOM 476 CB VAL A 36 6.713 -0.423 -0.737 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.476 -0.737 0.091 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.119 1.034 -0.573 1.00 0.00 C ATOM 0 H VAL A 36 8.832 -1.129 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 36 8.186 -1.127 0.673 1.00 0.00 H new ATOM 0 HB VAL A 36 6.471 -0.593 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.665 -0.069 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.175 -1.770 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.701 -0.597 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.285 1.678 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.389 1.222 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.974 1.248 -1.215 1.00 0.00 H new ATOM 488 N THR A 37 7.312 -3.449 0.738 1.00 0.00 N ATOM 489 CA THR A 37 6.872 -4.836 0.805 1.00 0.00 C ATOM 490 C THR A 37 5.686 -4.991 1.750 1.00 0.00 C ATOM 491 O THR A 37 5.776 -4.663 2.933 1.00 0.00 O ATOM 492 CB THR A 37 8.009 -5.764 1.272 1.00 0.00 C ATOM 493 OG1 THR A 37 9.149 -5.609 0.418 1.00 0.00 O ATOM 494 CG2 THR A 37 7.560 -7.217 1.266 1.00 0.00 C ATOM 0 H THR A 37 7.539 -3.035 1.642 1.00 0.00 H new ATOM 0 HA THR A 37 6.571 -5.121 -0.203 1.00 0.00 H new ATOM 0 HB THR A 37 8.278 -5.488 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.868 -6.201 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.380 -7.853 1.600 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.711 -7.338 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.267 -7.503 0.256 1.00 0.00 H new ATOM 502 N TRP A 38 4.577 -5.493 1.220 1.00 0.00 N ATOM 503 CA TRP A 38 3.371 -5.692 2.018 1.00 0.00 C ATOM 504 C TRP A 38 2.988 -7.167 2.067 1.00 0.00 C ATOM 505 O TRP A 38 3.546 -7.987 1.337 1.00 0.00 O ATOM 506 CB TRP A 38 2.214 -4.872 1.444 1.00 0.00 C ATOM 507 CG TRP A 38 1.782 -5.324 0.083 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.692 -6.089 -0.219 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.433 -5.043 -1.161 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.626 -6.299 -1.575 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.682 -5.667 -2.175 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.577 -4.321 -1.516 1.00 0.00 C ATOM 513 CZ2 TRP A 38 2.039 -5.593 -3.519 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.929 -4.248 -2.850 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.164 -4.879 -3.839 1.00 0.00 C ATOM 0 H TRP A 38 4.487 -5.770 0.242 1.00 0.00 H new ATOM 0 HA TRP A 38 3.578 -5.355 3.034 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.365 -4.930 2.125 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.511 -3.824 1.394 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.014 -6.473 0.502 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.093 -6.838 -2.057 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.174 -3.830 -0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.450 -6.081 -4.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.811 -3.694 -3.136 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.466 -4.801 -4.873 1.00 0.00 H new ATOM 526 N ILE A 39 2.037 -7.498 2.933 1.00 0.00 N ATOM 527 CA ILE A 39 1.580 -8.875 3.075 1.00 0.00 C ATOM 528 C ILE A 39 0.057 -8.948 3.116 1.00 0.00 C ATOM 529 O ILE A 39 -0.580 -8.593 4.108 1.00 0.00 O ATOM 530 CB ILE A 39 2.148 -9.527 4.350 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.658 -9.299 4.436 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.830 -11.015 4.371 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.448 -10.094 3.421 1.00 0.00 C ATOM 0 H ILE A 39 1.568 -6.832 3.547 1.00 0.00 H new ATOM 0 HA ILE A 39 1.944 -9.420 2.204 1.00 0.00 H new ATOM 0 HB ILE A 39 1.679 -9.063 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.866 -8.238 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.000 -9.561 5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.238 -11.461 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.749 -11.156 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.275 -11.494 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.511 -9.883 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.270 -11.158 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.133 -9.815 2.415 1.00 0.00 H new ATOM 545 N PRO A 40 -0.542 -9.420 2.013 1.00 0.00 N ATOM 546 CA PRO A 40 -1.998 -9.553 1.898 1.00 0.00 C ATOM 547 C PRO A 40 -2.551 -10.659 2.791 1.00 0.00 C ATOM 548 O PRO A 40 -1.929 -11.709 2.952 1.00 0.00 O ATOM 549 CB PRO A 40 -2.206 -9.902 0.423 1.00 0.00 C ATOM 550 CG PRO A 40 -0.928 -10.539 -0.001 1.00 0.00 C ATOM 551 CD PRO A 40 0.154 -9.861 0.793 1.00 0.00 C ATOM 0 HA PRO A 40 -2.517 -8.648 2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.049 -10.581 0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.419 -9.011 -0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.942 -11.611 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.765 -10.412 -1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.972 -10.544 1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.584 -9.020 0.249 1.00 0.00 H new ATOM 559 N ARG A 41 -3.722 -10.415 3.369 1.00 0.00 N ATOM 560 CA ARG A 41 -4.359 -11.391 4.246 1.00 0.00 C ATOM 561 C ARG A 41 -5.624 -11.953 3.606 1.00 0.00 C ATOM 562 O ARG A 41 -5.671 -13.122 3.221 1.00 0.00 O ATOM 563 CB ARG A 41 -4.697 -10.751 5.594 1.00 0.00 C ATOM 564 CG ARG A 41 -3.700 -9.692 6.033 1.00 0.00 C ATOM 565 CD ARG A 41 -2.296 -10.263 6.150 1.00 0.00 C ATOM 566 NE ARG A 41 -2.017 -10.758 7.497 1.00 0.00 N ATOM 567 CZ ARG A 41 -1.115 -11.696 7.763 1.00 0.00 C ATOM 568 NH1 ARG A 41 -0.408 -12.237 6.780 1.00 0.00 N ATOM 569 NH2 ARG A 41 -0.918 -12.093 9.013 1.00 0.00 N ATOM 0 H ARG A 41 -4.249 -9.550 3.246 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.659 -12.211 4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.688 -10.302 5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.745 -11.530 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.701 -8.870 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.007 -9.278 6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.174 -11.075 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.569 -9.494 5.888 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.544 -10.361 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.556 -11.933 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.284 -12.957 6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.459 -11.678 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.225 -12.813 9.216 1.00 0.00 H new ATOM 583 N GLY A 42 -6.650 -11.114 3.495 1.00 0.00 N ATOM 584 CA GLY A 42 -7.901 -11.547 2.901 1.00 0.00 C ATOM 585 C GLY A 42 -8.107 -10.987 1.508 1.00 0.00 C ATOM 586 O GLY A 42 -7.755 -9.839 1.235 1.00 0.00 O ATOM 0 H GLY A 42 -6.637 -10.143 3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.921 -12.636 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.729 -11.238 3.539 1.00 0.00 H new ATOM 590 N ASN A 43 -8.675 -11.799 0.624 1.00 0.00 N ATOM 591 CA ASN A 43 -8.924 -11.378 -0.750 1.00 0.00 C ATOM 592 C ASN A 43 -10.421 -11.263 -1.021 1.00 0.00 C ATOM 593 O ASN A 43 -10.845 -11.088 -2.163 1.00 0.00 O ATOM 594 CB ASN A 43 -8.292 -12.368 -1.731 1.00 0.00 C ATOM 595 CG ASN A 43 -8.843 -13.772 -1.570 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.659 -14.033 -0.687 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.396 -14.684 -2.426 1.00 0.00 N ATOM 0 H ASN A 43 -8.972 -12.752 0.834 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.471 -10.397 -0.891 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.467 -12.027 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.212 -12.385 -1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.730 -15.646 -2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.719 -14.422 -3.143 1.00 0.00 H new ATOM 604 N GLY A 44 -11.218 -11.359 0.039 1.00 0.00 N ATOM 605 CA GLY A 44 -12.659 -11.262 -0.105 1.00 0.00 C ATOM 606 C GLY A 44 -13.280 -12.552 -0.605 1.00 0.00 C ATOM 607 O GLY A 44 -14.492 -12.632 -0.795 1.00 0.00 O ATOM 0 H GLY A 44 -10.892 -11.502 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.100 -10.999 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.898 -10.455 -0.797 1.00 0.00 H new ATOM 611 N GLY A 45 -12.445 -13.564 -0.821 1.00 0.00 N ATOM 612 CA GLY A 45 -12.937 -14.842 -1.301 1.00 0.00 C ATOM 613 C GLY A 45 -12.488 -15.141 -2.718 1.00 0.00 C ATOM 614 O GLY A 45 -12.416 -16.300 -3.123 1.00 0.00 O ATOM 0 H GLY A 45 -11.437 -13.521 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.589 -15.634 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.026 -14.847 -1.259 1.00 0.00 H new ATOM 618 N PHE A 46 -12.188 -14.090 -3.475 1.00 0.00 N ATOM 619 CA PHE A 46 -11.746 -14.245 -4.856 1.00 0.00 C ATOM 620 C PHE A 46 -10.260 -13.927 -4.991 1.00 0.00 C ATOM 621 O PHE A 46 -9.655 -13.292 -4.128 1.00 0.00 O ATOM 622 CB PHE A 46 -12.559 -13.335 -5.779 1.00 0.00 C ATOM 623 CG PHE A 46 -13.783 -13.996 -6.347 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.708 -15.267 -6.895 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.007 -13.348 -6.333 1.00 0.00 C ATOM 626 CE1 PHE A 46 -14.831 -15.877 -7.419 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.134 -13.953 -6.855 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.046 -15.220 -7.398 1.00 0.00 C ATOM 0 H PHE A 46 -12.243 -13.123 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.905 -15.283 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.860 -12.445 -5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.923 -13.001 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.761 -15.786 -6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.081 -12.358 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.759 -16.867 -7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.082 -13.436 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.926 -15.696 -7.805 1.00 0.00 H new ATOM 638 N PRO A 47 -9.657 -14.380 -6.100 1.00 0.00 N ATOM 639 CA PRO A 47 -8.235 -14.156 -6.375 1.00 0.00 C ATOM 640 C PRO A 47 -7.927 -12.696 -6.687 1.00 0.00 C ATOM 641 O PRO A 47 -8.368 -12.162 -7.705 1.00 0.00 O ATOM 642 CB PRO A 47 -7.968 -15.032 -7.603 1.00 0.00 C ATOM 643 CG PRO A 47 -9.293 -15.157 -8.272 1.00 0.00 C ATOM 644 CD PRO A 47 -10.317 -15.145 -7.172 1.00 0.00 C ATOM 0 HA PRO A 47 -7.611 -14.401 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.232 -14.574 -8.264 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.575 -16.008 -7.316 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.458 -14.334 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.352 -16.079 -8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.245 -14.670 -7.492 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.571 -16.154 -6.848 1.00 0.00 H new ATOM 652 N ILE A 48 -7.168 -12.055 -5.804 1.00 0.00 N ATOM 653 CA ILE A 48 -6.800 -10.656 -5.986 1.00 0.00 C ATOM 654 C ILE A 48 -6.389 -10.379 -7.428 1.00 0.00 C ATOM 655 O ILE A 48 -5.527 -11.064 -7.980 1.00 0.00 O ATOM 656 CB ILE A 48 -5.648 -10.250 -5.049 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.094 -10.341 -3.587 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.171 -8.843 -5.375 1.00 0.00 C ATOM 659 CD1 ILE A 48 -4.967 -10.151 -2.598 1.00 0.00 C ATOM 0 H ILE A 48 -6.796 -12.482 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.682 -10.064 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.817 -10.939 -5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.860 -9.588 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.556 -11.313 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.356 -8.570 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.819 -8.808 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.995 -8.141 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.357 -10.228 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.211 -10.920 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.519 -9.167 -2.741 1.00 0.00 H new ATOM 671 N GLN A 49 -7.009 -9.371 -8.032 1.00 0.00 N ATOM 672 CA GLN A 49 -6.705 -9.003 -9.410 1.00 0.00 C ATOM 673 C GLN A 49 -5.457 -8.129 -9.478 1.00 0.00 C ATOM 674 O GLN A 49 -4.556 -8.379 -10.280 1.00 0.00 O ATOM 675 CB GLN A 49 -7.892 -8.267 -10.037 1.00 0.00 C ATOM 676 CG GLN A 49 -9.068 -9.174 -10.359 1.00 0.00 C ATOM 677 CD GLN A 49 -10.006 -8.570 -11.385 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.937 -7.377 -11.679 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.890 -9.393 -11.936 1.00 0.00 N ATOM 0 H GLN A 49 -7.725 -8.795 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.516 -9.918 -9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.224 -7.483 -9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.562 -7.775 -10.952 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.695 -10.128 -10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.622 -9.383 -9.444 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.912 -10.375 -11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.547 -9.043 -12.633 1.00 0.00 H new ATOM 688 N SER A 50 -5.411 -7.105 -8.633 1.00 0.00 N ATOM 689 CA SER A 50 -4.274 -6.192 -8.599 1.00 0.00 C ATOM 690 C SER A 50 -4.250 -5.400 -7.295 1.00 0.00 C ATOM 691 O SER A 50 -5.256 -5.314 -6.590 1.00 0.00 O ATOM 692 CB SER A 50 -4.328 -5.233 -9.791 1.00 0.00 C ATOM 693 OG SER A 50 -4.311 -5.942 -11.017 1.00 0.00 O ATOM 0 H SER A 50 -6.148 -6.886 -7.962 1.00 0.00 H new ATOM 0 HA SER A 50 -3.362 -6.785 -8.659 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.230 -4.625 -9.732 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.480 -4.550 -9.751 1.00 0.00 H new ATOM 0 HG SER A 50 -4.033 -6.868 -10.856 1.00 0.00 H new ATOM 699 N PHE A 51 -3.096 -4.824 -6.982 1.00 0.00 N ATOM 700 CA PHE A 51 -2.939 -4.039 -5.762 1.00 0.00 C ATOM 701 C PHE A 51 -2.810 -2.553 -6.084 1.00 0.00 C ATOM 702 O PHE A 51 -2.776 -2.161 -7.250 1.00 0.00 O ATOM 703 CB PHE A 51 -1.712 -4.512 -4.980 1.00 0.00 C ATOM 704 CG PHE A 51 -1.891 -5.859 -4.341 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.855 -6.054 -3.364 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.096 -6.930 -4.713 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.024 -7.292 -2.773 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.260 -8.171 -4.126 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.224 -8.352 -3.154 1.00 0.00 C ATOM 0 H PHE A 51 -2.255 -4.885 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.829 -4.184 -5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.855 -4.549 -5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.480 -3.780 -4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.482 -5.228 -3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.339 -6.794 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.780 -7.430 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.635 -8.998 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.352 -9.320 -2.693 1.00 0.00 H new ATOM 719 N ARG A 52 -2.738 -1.732 -5.042 1.00 0.00 N ATOM 720 CA ARG A 52 -2.614 -0.290 -5.212 1.00 0.00 C ATOM 721 C ARG A 52 -1.842 0.331 -4.051 1.00 0.00 C ATOM 722 O ARG A 52 -2.219 0.177 -2.889 1.00 0.00 O ATOM 723 CB ARG A 52 -3.997 0.353 -5.320 1.00 0.00 C ATOM 724 CG ARG A 52 -4.524 0.431 -6.744 1.00 0.00 C ATOM 725 CD ARG A 52 -5.568 1.526 -6.893 1.00 0.00 C ATOM 726 NE ARG A 52 -6.123 1.574 -8.244 1.00 0.00 N ATOM 727 CZ ARG A 52 -6.919 2.544 -8.678 1.00 0.00 C ATOM 728 NH1 ARG A 52 -7.252 3.543 -7.872 1.00 0.00 N ATOM 729 NH2 ARG A 52 -7.385 2.516 -9.920 1.00 0.00 N ATOM 0 H ARG A 52 -2.763 -2.041 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.062 -0.105 -6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.701 -0.215 -4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.954 1.359 -4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.697 0.619 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.959 -0.528 -7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.372 1.360 -6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.120 2.490 -6.651 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.886 0.821 -8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.896 3.567 -6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.864 4.287 -8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.132 1.749 -10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.996 3.262 -10.252 1.00 0.00 H new ATOM 743 N VAL A 53 -0.759 1.032 -4.373 1.00 0.00 N ATOM 744 CA VAL A 53 0.064 1.676 -3.358 1.00 0.00 C ATOM 745 C VAL A 53 -0.160 3.183 -3.344 1.00 0.00 C ATOM 746 O VAL A 53 -0.166 3.830 -4.390 1.00 0.00 O ATOM 747 CB VAL A 53 1.562 1.393 -3.588 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.388 1.906 -2.420 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.796 -0.095 -3.805 1.00 0.00 C ATOM 0 H VAL A 53 -0.432 1.168 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.234 1.258 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 53 1.880 1.922 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.442 1.697 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.244 2.981 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.071 1.408 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.859 -0.277 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.462 -0.648 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.235 -0.428 -4.678 1.00 0.00 H new ATOM 759 N GLU A 54 -0.344 3.736 -2.149 1.00 0.00 N ATOM 760 CA GLU A 54 -0.569 5.169 -1.998 1.00 0.00 C ATOM 761 C GLU A 54 0.324 5.749 -0.905 1.00 0.00 C ATOM 762 O GLU A 54 0.867 5.016 -0.078 1.00 0.00 O ATOM 763 CB GLU A 54 -2.038 5.445 -1.671 1.00 0.00 C ATOM 764 CG GLU A 54 -2.963 5.322 -2.870 1.00 0.00 C ATOM 765 CD GLU A 54 -4.365 4.894 -2.485 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.533 3.732 -2.058 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.294 5.719 -2.610 1.00 0.00 O ATOM 0 H GLU A 54 -0.342 3.214 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.317 5.651 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.366 4.751 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.126 6.449 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.009 6.280 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.547 4.600 -3.572 1.00 0.00 H new ATOM 774 N TYR A 55 0.472 7.069 -0.908 1.00 0.00 N ATOM 775 CA TYR A 55 1.302 7.747 0.081 1.00 0.00 C ATOM 776 C TYR A 55 0.752 9.137 0.392 1.00 0.00 C ATOM 777 O TYR A 55 0.199 9.808 -0.479 1.00 0.00 O ATOM 778 CB TYR A 55 2.743 7.857 -0.420 1.00 0.00 C ATOM 779 CG TYR A 55 2.870 8.572 -1.746 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.713 9.950 -1.832 1.00 0.00 C ATOM 781 CD2 TYR A 55 3.146 7.869 -2.913 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.828 10.607 -3.042 1.00 0.00 C ATOM 783 CE2 TYR A 55 3.263 8.519 -4.127 1.00 0.00 C ATOM 784 CZ TYR A 55 3.103 9.888 -4.187 1.00 0.00 C ATOM 785 OH TYR A 55 3.219 10.539 -5.393 1.00 0.00 O ATOM 0 H TYR A 55 0.028 7.691 -1.584 1.00 0.00 H new ATOM 0 HA TYR A 55 1.287 7.156 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.339 8.383 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.163 6.856 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.498 10.517 -0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.271 6.797 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.703 11.679 -3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.479 7.958 -5.024 1.00 0.00 H new ATOM 0 HH TYR A 55 3.415 9.888 -6.099 1.00 0.00 H new ATOM 795 N LYS A 56 0.910 9.562 1.641 1.00 0.00 N ATOM 796 CA LYS A 56 0.433 10.871 2.069 1.00 0.00 C ATOM 797 C LYS A 56 1.578 11.712 2.624 1.00 0.00 C ATOM 798 O LYS A 56 2.361 11.247 3.452 1.00 0.00 O ATOM 799 CB LYS A 56 -0.660 10.717 3.129 1.00 0.00 C ATOM 800 CG LYS A 56 -0.933 11.990 3.912 1.00 0.00 C ATOM 801 CD LYS A 56 -1.921 11.750 5.041 1.00 0.00 C ATOM 802 CE LYS A 56 -1.213 11.344 6.325 1.00 0.00 C ATOM 803 NZ LYS A 56 -0.711 12.526 7.078 1.00 0.00 N ATOM 0 H LYS A 56 1.365 9.018 2.375 1.00 0.00 H new ATOM 0 HA LYS A 56 0.018 11.381 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.581 10.394 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.372 9.928 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.002 12.374 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.325 12.754 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.502 12.655 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.625 10.970 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.899 10.777 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.379 10.684 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.134 12.206 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.131 13.118 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.517 13.081 7.430 1.00 0.00 H new ATOM 817 N LYS A 57 1.671 12.956 2.163 1.00 0.00 N ATOM 818 CA LYS A 57 2.718 13.864 2.614 1.00 0.00 C ATOM 819 C LYS A 57 2.407 14.403 4.006 1.00 0.00 C ATOM 820 O LYS A 57 1.313 14.912 4.256 1.00 0.00 O ATOM 821 CB LYS A 57 2.875 15.024 1.629 1.00 0.00 C ATOM 822 CG LYS A 57 3.422 14.603 0.276 1.00 0.00 C ATOM 823 CD LYS A 57 3.009 15.573 -0.819 1.00 0.00 C ATOM 824 CE LYS A 57 3.785 15.327 -2.104 1.00 0.00 C ATOM 825 NZ LYS A 57 3.585 13.943 -2.616 1.00 0.00 N ATOM 0 H LYS A 57 1.032 13.358 1.476 1.00 0.00 H new ATOM 0 HA LYS A 57 3.653 13.306 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.906 15.503 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.539 15.771 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.510 14.548 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.063 13.603 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.941 15.471 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.176 16.596 -0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.469 16.044 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.847 15.498 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.487 13.426 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.882 13.453 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.247 13.982 -3.599 1.00 0.00 H new ATOM 839 N LEU A 58 3.375 14.292 4.908 1.00 0.00 N ATOM 840 CA LEU A 58 3.205 14.771 6.276 1.00 0.00 C ATOM 841 C LEU A 58 3.555 16.252 6.382 1.00 0.00 C ATOM 842 O LEU A 58 4.250 16.799 5.526 1.00 0.00 O ATOM 843 CB LEU A 58 4.079 13.959 7.234 1.00 0.00 C ATOM 844 CG LEU A 58 3.914 12.441 7.170 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.961 11.753 8.033 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.513 12.038 7.607 1.00 0.00 C ATOM 0 H LEU A 58 4.286 13.875 4.718 1.00 0.00 H new ATOM 0 HA LEU A 58 2.158 14.643 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.123 14.200 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.867 14.285 8.252 1.00 0.00 H new ATOM 0 HG LEU A 58 4.057 12.123 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.828 10.673 7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.957 12.016 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.850 12.077 9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.413 10.954 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.342 12.370 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.779 12.502 6.948 1.00 0.00 H new ATOM 937 N TRP A 64 -4.205 11.612 0.401 1.00 0.00 N ATOM 938 CA TRP A 64 -3.130 10.728 -0.033 1.00 0.00 C ATOM 939 C TRP A 64 -2.896 10.851 -1.535 1.00 0.00 C ATOM 940 O TRP A 64 -3.614 11.574 -2.226 1.00 0.00 O ATOM 941 CB TRP A 64 -3.457 9.278 0.328 1.00 0.00 C ATOM 942 CG TRP A 64 -3.373 8.998 1.798 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.189 9.494 2.774 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.420 8.158 2.457 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.800 9.014 4.001 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.718 8.191 3.834 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.345 7.379 2.019 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -1.978 7.476 4.772 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.612 6.671 2.952 1.00 0.00 C ATOM 950 CH2 TRP A 64 -0.931 6.722 4.315 1.00 0.00 C ATOM 0 HA TRP A 64 -2.217 11.026 0.483 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.462 9.042 -0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.771 8.616 -0.200 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.018 10.165 2.606 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.245 9.235 4.892 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.092 7.331 0.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.222 7.515 5.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.222 6.068 2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.339 6.155 5.019 1.00 0.00 H new ATOM 961 N ILE A 65 -1.891 10.140 -2.033 1.00 0.00 N ATOM 962 CA ILE A 65 -1.566 10.169 -3.454 1.00 0.00 C ATOM 963 C ILE A 65 -1.358 8.761 -4.000 1.00 0.00 C ATOM 964 O ILE A 65 -1.175 7.809 -3.240 1.00 0.00 O ATOM 965 CB ILE A 65 -0.300 11.005 -3.724 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.203 12.160 -2.727 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.306 11.528 -5.152 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.212 13.260 -2.977 1.00 0.00 C ATOM 0 H ILE A 65 -1.287 9.537 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.413 10.631 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 65 0.574 10.366 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.343 11.771 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.801 12.582 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.594 12.117 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.332 10.689 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.185 12.154 -5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.085 14.046 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.058 13.675 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.220 12.852 -2.906 1.00 0.00 H new ATOM 980 N LEU A 66 -1.384 8.635 -5.322 1.00 0.00 N ATOM 981 CA LEU A 66 -1.196 7.342 -5.971 1.00 0.00 C ATOM 982 C LEU A 66 0.213 7.218 -6.541 1.00 0.00 C ATOM 983 O LEU A 66 0.641 8.043 -7.348 1.00 0.00 O ATOM 984 CB LEU A 66 -2.229 7.154 -7.085 1.00 0.00 C ATOM 985 CG LEU A 66 -2.217 5.796 -7.788 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.156 4.668 -6.769 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.442 5.647 -8.679 1.00 0.00 C ATOM 0 H LEU A 66 -1.533 9.412 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.333 6.563 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.222 7.314 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.072 7.930 -7.834 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.327 5.740 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.148 3.709 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.249 4.765 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.027 4.720 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.418 4.675 -9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.344 5.724 -8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.442 6.435 -9.432 1.00 0.00 H new ATOM 999 N ALA A 67 0.928 6.182 -6.117 1.00 0.00 N ATOM 1000 CA ALA A 67 2.287 5.948 -6.588 1.00 0.00 C ATOM 1001 C ALA A 67 2.298 4.997 -7.780 1.00 0.00 C ATOM 1002 O ALA A 67 2.639 5.388 -8.897 1.00 0.00 O ATOM 1003 CB ALA A 67 3.148 5.396 -5.461 1.00 0.00 C ATOM 0 H ALA A 67 0.589 5.491 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 67 2.702 6.902 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.161 5.226 -5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.174 6.112 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.726 4.455 -5.109 1.00 0.00 H new ATOM 1009 N THR A 68 1.925 3.743 -7.536 1.00 0.00 N ATOM 1010 CA THR A 68 1.895 2.736 -8.588 1.00 0.00 C ATOM 1011 C THR A 68 0.544 2.031 -8.635 1.00 0.00 C ATOM 1012 O THR A 68 -0.340 2.306 -7.822 1.00 0.00 O ATOM 1013 CB THR A 68 3.003 1.686 -8.392 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.125 0.876 -9.568 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.704 0.801 -7.192 1.00 0.00 C ATOM 0 H THR A 68 1.640 3.402 -6.618 1.00 0.00 H new ATOM 0 HA THR A 68 2.063 3.258 -9.530 1.00 0.00 H new ATOM 0 HB THR A 68 3.941 2.211 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.833 0.212 -9.436 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.501 0.067 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.640 1.415 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.756 0.286 -7.347 1.00 0.00 H new ATOM 1023 N SER A 69 0.389 1.120 -9.591 1.00 0.00 N ATOM 1024 CA SER A 69 -0.856 0.377 -9.745 1.00 0.00 C ATOM 1025 C SER A 69 -0.697 -0.744 -10.768 1.00 0.00 C ATOM 1026 O SER A 69 0.289 -0.792 -11.503 1.00 0.00 O ATOM 1027 CB SER A 69 -1.985 1.316 -10.173 1.00 0.00 C ATOM 1028 OG SER A 69 -1.788 1.781 -11.497 1.00 0.00 O ATOM 0 H SER A 69 1.111 0.879 -10.270 1.00 0.00 H new ATOM 0 HA SER A 69 -1.107 -0.067 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.940 0.795 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.035 2.164 -9.490 1.00 0.00 H new ATOM 0 HG SER A 69 -2.524 2.378 -11.747 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.674 -1.642 -10.809 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.645 -2.762 -11.742 1.00 0.00 C ATOM 1036 C ALA A 70 -0.590 -3.786 -11.338 1.00 0.00 C ATOM 1037 O ALA A 70 0.060 -4.391 -12.191 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.386 -2.263 -13.156 1.00 0.00 C ATOM 0 H ALA A 70 -2.497 -1.616 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.618 -3.252 -11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.367 -3.109 -13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.179 -1.575 -13.450 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.427 -1.747 -13.190 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.424 -3.975 -10.033 1.00 0.00 N ATOM 1045 CA ILE A 71 0.552 -4.926 -9.518 1.00 0.00 C ATOM 1046 C ILE A 71 -0.048 -6.323 -9.405 1.00 0.00 C ATOM 1047 O ILE A 71 -1.189 -6.503 -8.979 1.00 0.00 O ATOM 1048 CB ILE A 71 1.083 -4.495 -8.137 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.734 -3.113 -8.225 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.074 -5.520 -7.606 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.201 -2.579 -6.890 1.00 0.00 C ATOM 0 H ILE A 71 -0.953 -3.482 -9.314 1.00 0.00 H new ATOM 0 HA ILE A 71 1.379 -4.945 -10.228 1.00 0.00 H new ATOM 0 HB ILE A 71 0.244 -4.437 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.585 -3.164 -8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.021 -2.412 -8.658 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.440 -5.201 -6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.581 -6.487 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.913 -5.607 -8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.652 -1.596 -7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.350 -2.496 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.938 -3.259 -6.464 1.00 0.00 H new ATOM 1063 N PRO A 72 0.738 -7.338 -9.794 1.00 0.00 N ATOM 1064 CA PRO A 72 0.306 -8.737 -9.744 1.00 0.00 C ATOM 1065 C PRO A 72 0.180 -9.254 -8.315 1.00 0.00 C ATOM 1066 O PRO A 72 0.798 -8.736 -7.384 1.00 0.00 O ATOM 1067 CB PRO A 72 1.422 -9.479 -10.484 1.00 0.00 C ATOM 1068 CG PRO A 72 2.622 -8.610 -10.330 1.00 0.00 C ATOM 1069 CD PRO A 72 2.109 -7.196 -10.312 1.00 0.00 C ATOM 0 HA PRO A 72 -0.682 -8.875 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.591 -10.467 -10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.171 -9.625 -11.535 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.157 -8.843 -9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.322 -8.761 -11.152 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.716 -6.556 -9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.119 -6.752 -11.307 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.639 -10.302 -8.133 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.865 -10.911 -6.820 1.00 0.00 C ATOM 1079 C PRO A 73 0.362 -11.659 -6.309 1.00 0.00 C ATOM 1080 O PRO A 73 0.500 -11.901 -5.110 1.00 0.00 O ATOM 1081 CB PRO A 73 -2.017 -11.887 -7.076 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.922 -12.213 -8.526 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.408 -10.969 -9.197 1.00 0.00 C ATOM 0 HA PRO A 73 -1.082 -10.164 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.921 -12.782 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.979 -11.436 -6.834 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.249 -13.054 -8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.895 -12.499 -8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.782 -11.206 -10.057 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.223 -10.341 -9.558 1.00 0.00 H new ATOM 1091 N SER A 74 1.252 -12.022 -7.227 1.00 0.00 N ATOM 1092 CA SER A 74 2.468 -12.745 -6.870 1.00 0.00 C ATOM 1093 C SER A 74 3.563 -11.780 -6.428 1.00 0.00 C ATOM 1094 O SER A 74 4.598 -12.196 -5.904 1.00 0.00 O ATOM 1095 CB SER A 74 2.956 -13.582 -8.054 1.00 0.00 C ATOM 1096 OG SER A 74 3.730 -14.684 -7.615 1.00 0.00 O ATOM 0 H SER A 74 1.154 -11.828 -8.224 1.00 0.00 H new ATOM 0 HA SER A 74 2.235 -13.409 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.101 -13.940 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.550 -12.960 -8.723 1.00 0.00 H new ATOM 0 HG SER A 74 4.028 -15.204 -8.390 1.00 0.00 H new ATOM 1102 N ARG A 75 3.330 -10.490 -6.644 1.00 0.00 N ATOM 1103 CA ARG A 75 4.297 -9.466 -6.270 1.00 0.00 C ATOM 1104 C ARG A 75 3.863 -8.748 -4.995 1.00 0.00 C ATOM 1105 O ARG A 75 2.974 -7.895 -5.021 1.00 0.00 O ATOM 1106 CB ARG A 75 4.465 -8.454 -7.406 1.00 0.00 C ATOM 1107 CG ARG A 75 5.480 -7.363 -7.104 1.00 0.00 C ATOM 1108 CD ARG A 75 6.151 -6.861 -8.372 1.00 0.00 C ATOM 1109 NE ARG A 75 7.484 -6.325 -8.111 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.411 -6.168 -9.050 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.150 -6.503 -10.306 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.600 -5.674 -8.735 1.00 0.00 N ATOM 0 H ARG A 75 2.480 -10.129 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 75 5.253 -9.955 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.770 -8.982 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.500 -7.993 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.985 -6.533 -6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.236 -7.747 -6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.223 -7.677 -9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.532 -6.088 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 75 7.716 -6.056 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.236 -6.882 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.863 -6.382 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.805 -5.414 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.310 -5.554 -9.457 1.00 0.00 H new ATOM 1126 N LEU A 76 4.495 -9.099 -3.881 1.00 0.00 N ATOM 1127 CA LEU A 76 4.174 -8.489 -2.595 1.00 0.00 C ATOM 1128 C LEU A 76 5.198 -7.418 -2.230 1.00 0.00 C ATOM 1129 O LEU A 76 5.215 -6.920 -1.104 1.00 0.00 O ATOM 1130 CB LEU A 76 4.123 -9.556 -1.500 1.00 0.00 C ATOM 1131 CG LEU A 76 3.312 -10.811 -1.824 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.271 -11.745 -0.625 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.902 -10.437 -2.259 1.00 0.00 C ATOM 0 H LEU A 76 5.233 -9.803 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 76 3.195 -8.017 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.144 -9.858 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.710 -9.103 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 76 3.799 -11.332 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.689 -12.632 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.286 -12.040 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.808 -11.234 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.339 -11.342 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.406 -9.893 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.950 -9.808 -3.148 1.00 0.00 H new ATOM 1145 N SER A 77 6.047 -7.068 -3.189 1.00 0.00 N ATOM 1146 CA SER A 77 7.076 -6.057 -2.968 1.00 0.00 C ATOM 1147 C SER A 77 7.432 -5.350 -4.272 1.00 0.00 C ATOM 1148 O SER A 77 7.714 -5.992 -5.283 1.00 0.00 O ATOM 1149 CB SER A 77 8.327 -6.696 -2.363 1.00 0.00 C ATOM 1150 OG SER A 77 9.487 -5.945 -2.679 1.00 0.00 O ATOM 0 H SER A 77 6.044 -7.469 -4.127 1.00 0.00 H new ATOM 0 HA SER A 77 6.681 -5.318 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.217 -6.764 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.436 -7.714 -2.737 1.00 0.00 H new ATOM 0 HG SER A 77 9.848 -5.541 -1.862 1.00 0.00 H new ATOM 1156 N VAL A 78 7.415 -4.021 -4.241 1.00 0.00 N ATOM 1157 CA VAL A 78 7.737 -3.224 -5.420 1.00 0.00 C ATOM 1158 C VAL A 78 8.475 -1.947 -5.034 1.00 0.00 C ATOM 1159 O VAL A 78 8.491 -1.557 -3.868 1.00 0.00 O ATOM 1160 CB VAL A 78 6.468 -2.852 -6.209 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.518 -4.039 -6.283 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.783 -1.649 -5.580 1.00 0.00 C ATOM 0 H VAL A 78 7.182 -3.473 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 78 8.381 -3.836 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 78 6.758 -2.585 -7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.627 -3.757 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.014 -4.871 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.232 -4.340 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.888 -1.400 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.504 -1.885 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.465 -0.798 -5.585 1.00 0.00 H new ATOM 1172 N GLU A 79 9.085 -1.302 -6.024 1.00 0.00 N ATOM 1173 CA GLU A 79 9.826 -0.068 -5.788 1.00 0.00 C ATOM 1174 C GLU A 79 8.978 1.151 -6.140 1.00 0.00 C ATOM 1175 O GLU A 79 8.643 1.371 -7.305 1.00 0.00 O ATOM 1176 CB GLU A 79 11.118 -0.059 -6.607 1.00 0.00 C ATOM 1177 CG GLU A 79 12.062 1.075 -6.240 1.00 0.00 C ATOM 1178 CD GLU A 79 13.266 1.150 -7.159 1.00 0.00 C ATOM 1179 OE1 GLU A 79 14.091 0.213 -7.133 1.00 0.00 O ATOM 1180 OE2 GLU A 79 13.385 2.146 -7.903 1.00 0.00 O ATOM 0 H GLU A 79 9.081 -1.613 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 79 10.076 -0.021 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.633 -1.009 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.867 0.016 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.521 2.020 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.401 0.943 -5.213 1.00 0.00 H new ATOM 1187 N ILE A 80 8.636 1.939 -5.127 1.00 0.00 N ATOM 1188 CA ILE A 80 7.828 3.136 -5.330 1.00 0.00 C ATOM 1189 C ILE A 80 8.694 4.317 -5.756 1.00 0.00 C ATOM 1190 O ILE A 80 9.316 4.978 -4.925 1.00 0.00 O ATOM 1191 CB ILE A 80 7.054 3.516 -4.054 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.153 2.361 -3.615 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.235 4.777 -4.286 1.00 0.00 C ATOM 1194 CD1 ILE A 80 5.044 2.053 -4.598 1.00 0.00 C ATOM 0 H ILE A 80 8.905 1.771 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 80 7.116 2.906 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 80 7.771 3.715 -3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.762 1.468 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.713 2.601 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.694 5.032 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.899 5.598 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.524 4.606 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.445 1.224 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.411 2.932 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.476 1.781 -5.561 1.00 0.00 H new ATOM 1206 N THR A 81 8.728 4.578 -7.060 1.00 0.00 N ATOM 1207 CA THR A 81 9.515 5.680 -7.599 1.00 0.00 C ATOM 1208 C THR A 81 8.659 6.926 -7.791 1.00 0.00 C ATOM 1209 O THR A 81 7.430 6.857 -7.764 1.00 0.00 O ATOM 1210 CB THR A 81 10.162 5.303 -8.945 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.147 5.009 -9.910 1.00 0.00 O ATOM 1212 CG2 THR A 81 11.081 4.101 -8.786 1.00 0.00 C ATOM 0 H THR A 81 8.219 4.041 -7.762 1.00 0.00 H new ATOM 0 HA THR A 81 10.300 5.891 -6.873 1.00 0.00 H new ATOM 0 HB THR A 81 10.755 6.151 -9.288 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.566 4.772 -10.764 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.526 3.853 -9.750 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.870 4.338 -8.072 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.506 3.249 -8.422 1.00 0.00 H new ATOM 1220 N GLY A 82 9.315 8.066 -7.985 1.00 0.00 N ATOM 1221 CA GLY A 82 8.597 9.311 -8.180 1.00 0.00 C ATOM 1222 C GLY A 82 8.277 10.007 -6.872 1.00 0.00 C ATOM 1223 O GLY A 82 7.224 10.630 -6.733 1.00 0.00 O ATOM 0 H GLY A 82 10.331 8.149 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.192 9.976 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.670 9.112 -8.718 1.00 0.00 H new ATOM 1227 N LEU A 83 9.185 9.900 -5.909 1.00 0.00 N ATOM 1228 CA LEU A 83 8.994 10.521 -4.603 1.00 0.00 C ATOM 1229 C LEU A 83 9.657 11.894 -4.552 1.00 0.00 C ATOM 1230 O LEU A 83 10.309 12.315 -5.507 1.00 0.00 O ATOM 1231 CB LEU A 83 9.563 9.626 -3.501 1.00 0.00 C ATOM 1232 CG LEU A 83 8.913 8.250 -3.351 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.592 7.457 -2.247 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.424 8.391 -3.072 1.00 0.00 C ATOM 0 H LEU A 83 10.062 9.388 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 83 7.923 10.648 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.627 9.484 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.475 10.153 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 83 9.036 7.707 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.116 6.481 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.646 7.325 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.501 7.995 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.978 7.402 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.278 8.953 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.947 8.919 -3.898 1.00 0.00 H new ATOM 1246 N GLU A 84 9.486 12.587 -3.430 1.00 0.00 N ATOM 1247 CA GLU A 84 10.069 13.912 -3.254 1.00 0.00 C ATOM 1248 C GLU A 84 10.991 13.943 -2.039 1.00 0.00 C ATOM 1249 O GLU A 84 10.563 13.685 -0.913 1.00 0.00 O ATOM 1250 CB GLU A 84 8.968 14.962 -3.101 1.00 0.00 C ATOM 1251 CG GLU A 84 8.138 15.163 -4.358 1.00 0.00 C ATOM 1252 CD GLU A 84 6.974 14.195 -4.451 1.00 0.00 C ATOM 1253 OE1 GLU A 84 6.490 13.745 -3.391 1.00 0.00 O ATOM 1254 OE2 GLU A 84 6.549 13.886 -5.583 1.00 0.00 O ATOM 0 H GLU A 84 8.949 12.253 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 84 10.659 14.143 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.309 14.668 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.421 15.913 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.758 16.185 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.776 15.043 -5.233 1.00 0.00 H new ATOM 1261 N LYS A 85 12.259 14.264 -2.273 1.00 0.00 N ATOM 1262 CA LYS A 85 13.242 14.331 -1.199 1.00 0.00 C ATOM 1263 C LYS A 85 12.874 15.413 -0.190 1.00 0.00 C ATOM 1264 O LYS A 85 12.151 16.356 -0.513 1.00 0.00 O ATOM 1265 CB LYS A 85 14.635 14.606 -1.772 1.00 0.00 C ATOM 1266 CG LYS A 85 15.422 13.346 -2.090 1.00 0.00 C ATOM 1267 CD LYS A 85 16.369 13.560 -3.259 1.00 0.00 C ATOM 1268 CE LYS A 85 15.686 13.277 -4.588 1.00 0.00 C ATOM 1269 NZ LYS A 85 16.435 13.864 -5.734 1.00 0.00 N ATOM 0 H LYS A 85 12.630 14.482 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 85 13.249 13.369 -0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.534 15.200 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.200 15.207 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.990 13.039 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.733 12.534 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.736 14.586 -3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.237 12.910 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.595 12.200 -4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.674 13.682 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.821 13.891 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.736 14.830 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.272 13.281 -5.937 1.00 0.00 H new ATOM 1283 N GLY A 86 13.376 15.272 1.034 1.00 0.00 N ATOM 1284 CA GLY A 86 13.088 16.246 2.069 1.00 0.00 C ATOM 1285 C GLY A 86 11.611 16.325 2.398 1.00 0.00 C ATOM 1286 O GLY A 86 11.163 17.263 3.058 1.00 0.00 O ATOM 0 H GLY A 86 13.976 14.501 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.644 15.989 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.438 17.227 1.748 1.00 0.00 H new ATOM 1290 N ILE A 87 10.850 15.337 1.936 1.00 0.00 N ATOM 1291 CA ILE A 87 9.415 15.299 2.185 1.00 0.00 C ATOM 1292 C ILE A 87 9.006 13.985 2.842 1.00 0.00 C ATOM 1293 O ILE A 87 8.943 12.944 2.187 1.00 0.00 O ATOM 1294 CB ILE A 87 8.612 15.480 0.883 1.00 0.00 C ATOM 1295 CG1 ILE A 87 8.803 16.896 0.334 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.138 15.193 1.124 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.177 17.968 1.199 1.00 0.00 C ATOM 0 H ILE A 87 11.204 14.553 1.388 1.00 0.00 H new ATOM 0 HA ILE A 87 9.190 16.126 2.859 1.00 0.00 H new ATOM 0 HB ILE A 87 8.982 14.770 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.870 17.098 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.373 16.950 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.585 15.325 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.019 14.168 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.752 15.880 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.351 18.946 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.104 17.791 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.624 17.941 2.193 1.00 0.00 H new ATOM 1309 N SER A 88 8.724 14.041 4.140 1.00 0.00 N ATOM 1310 CA SER A 88 8.323 12.855 4.886 1.00 0.00 C ATOM 1311 C SER A 88 6.923 12.405 4.478 1.00 0.00 C ATOM 1312 O SER A 88 6.004 13.216 4.372 1.00 0.00 O ATOM 1313 CB SER A 88 8.362 13.135 6.391 1.00 0.00 C ATOM 1314 OG SER A 88 9.344 14.108 6.702 1.00 0.00 O ATOM 0 H SER A 88 8.766 14.895 4.696 1.00 0.00 H new ATOM 0 HA SER A 88 9.026 12.055 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.384 13.481 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.576 12.212 6.931 1.00 0.00 H new ATOM 0 HG SER A 88 9.349 14.271 7.668 1.00 0.00 H new ATOM 1320 N TYR A 89 6.770 11.104 4.252 1.00 0.00 N ATOM 1321 CA TYR A 89 5.485 10.544 3.852 1.00 0.00 C ATOM 1322 C TYR A 89 5.406 9.060 4.197 1.00 0.00 C ATOM 1323 O TYR A 89 6.424 8.414 4.449 1.00 0.00 O ATOM 1324 CB TYR A 89 5.261 10.743 2.352 1.00 0.00 C ATOM 1325 CG TYR A 89 6.543 10.845 1.558 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.598 9.971 1.789 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.701 11.817 0.577 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.773 10.061 1.066 1.00 0.00 C ATOM 1329 CE2 TYR A 89 7.870 11.913 -0.152 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.903 11.033 0.096 1.00 0.00 C ATOM 1331 OH TYR A 89 10.070 11.126 -0.627 1.00 0.00 O ATOM 0 H TYR A 89 7.520 10.418 4.339 1.00 0.00 H new ATOM 0 HA TYR A 89 4.703 11.069 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.670 9.911 1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.675 11.649 2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.498 9.208 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 89 5.895 12.509 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.584 9.375 1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.975 12.673 -0.912 1.00 0.00 H new ATOM 0 HH TYR A 89 10.491 11.994 -0.458 1.00 0.00 H new ATOM 1341 N LYS A 90 4.190 8.525 4.206 1.00 0.00 N ATOM 1342 CA LYS A 90 3.975 7.117 4.517 1.00 0.00 C ATOM 1343 C LYS A 90 3.516 6.351 3.281 1.00 0.00 C ATOM 1344 O LYS A 90 3.312 6.934 2.216 1.00 0.00 O ATOM 1345 CB LYS A 90 2.939 6.973 5.634 1.00 0.00 C ATOM 1346 CG LYS A 90 3.193 7.884 6.822 1.00 0.00 C ATOM 1347 CD LYS A 90 2.328 7.506 8.011 1.00 0.00 C ATOM 1348 CE LYS A 90 2.924 8.008 9.318 1.00 0.00 C ATOM 1349 NZ LYS A 90 2.009 7.779 10.469 1.00 0.00 N ATOM 0 H LYS A 90 3.337 9.046 4.001 1.00 0.00 H new ATOM 0 HA LYS A 90 4.923 6.696 4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.949 7.185 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.928 5.938 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.244 7.830 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.992 8.917 6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.329 7.922 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.219 6.422 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.872 7.503 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.141 9.073 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.451 8.135 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.113 8.281 10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.822 6.761 10.567 1.00 0.00 H new ATOM 1363 N PHE A 91 3.355 5.040 3.429 1.00 0.00 N ATOM 1364 CA PHE A 91 2.919 4.193 2.324 1.00 0.00 C ATOM 1365 C PHE A 91 1.786 3.270 2.761 1.00 0.00 C ATOM 1366 O PHE A 91 1.614 2.999 3.950 1.00 0.00 O ATOM 1367 CB PHE A 91 4.092 3.365 1.796 1.00 0.00 C ATOM 1368 CG PHE A 91 5.309 4.184 1.474 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.067 4.749 2.487 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.693 4.389 0.159 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.186 5.505 2.193 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.812 5.144 -0.141 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.560 5.701 0.878 1.00 0.00 C ATOM 0 H PHE A 91 3.520 4.541 4.303 1.00 0.00 H new ATOM 0 HA PHE A 91 2.551 4.839 1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.357 2.612 2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.775 2.832 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.780 4.597 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.112 3.954 -0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.768 5.942 2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.101 5.298 -1.170 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.436 6.289 0.647 1.00 0.00 H new ATOM 1383 N ARG A 92 1.013 2.792 1.791 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.105 1.901 2.074 1.00 0.00 C ATOM 1385 C ARG A 92 -0.345 0.942 0.911 1.00 0.00 C ATOM 1386 O ARG A 92 0.258 1.078 -0.153 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.373 2.711 2.351 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.931 3.408 1.121 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.429 3.638 1.242 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.749 4.632 2.265 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.866 5.350 2.268 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.764 5.188 1.308 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -5.084 6.234 3.233 1.00 0.00 N ATOM 0 H ARG A 92 1.141 3.007 0.802 1.00 0.00 H new ATOM 0 HA ARG A 92 0.145 1.316 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.135 2.048 2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.157 3.458 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.425 4.364 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.725 2.807 0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.824 3.967 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.922 2.697 1.484 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.077 4.782 3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.598 4.510 0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.621 5.741 1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.394 6.362 3.973 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.942 6.785 3.235 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.230 -0.027 1.123 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.550 -1.008 0.093 1.00 0.00 C ATOM 1409 C VAL A 93 -3.044 -1.311 0.068 1.00 0.00 C ATOM 1410 O VAL A 93 -3.693 -1.368 1.112 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.773 -2.321 0.307 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.179 -3.357 -0.731 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.726 -2.067 0.261 1.00 0.00 C ATOM 0 H VAL A 93 -1.738 -0.154 1.998 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.255 -0.573 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.021 -2.713 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.620 -4.278 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.246 -3.560 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.962 -2.977 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.259 -3.005 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.995 -1.651 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.000 -1.362 1.046 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.583 -1.507 -1.132 1.00 0.00 N ATOM 1424 CA ARG A 94 -5.000 -1.804 -1.292 1.00 0.00 C ATOM 1425 C ARG A 94 -5.204 -2.990 -2.230 1.00 0.00 C ATOM 1426 O ARG A 94 -4.497 -3.134 -3.227 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.743 -0.580 -1.831 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.097 0.439 -0.761 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.369 1.195 -1.110 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.798 2.074 -0.026 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.739 3.003 -0.162 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.346 3.170 -1.329 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -9.075 3.765 0.871 1.00 0.00 N ATOM 0 H ARG A 94 -3.059 -1.465 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.404 -2.063 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.128 -0.098 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.658 -0.909 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.224 -0.066 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.274 1.144 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.204 1.785 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.163 0.483 -1.336 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.351 1.970 0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.091 2.585 -2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.068 3.883 -1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.611 3.638 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.797 4.478 0.766 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.176 -3.836 -1.904 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.474 -5.008 -2.718 1.00 0.00 C ATOM 1449 C ALA A 95 -7.706 -4.774 -3.586 1.00 0.00 C ATOM 1450 O ALA A 95 -8.775 -4.426 -3.085 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.674 -6.229 -1.833 1.00 0.00 C ATOM 0 H ALA A 95 -6.770 -3.731 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.625 -5.187 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.896 -7.096 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.766 -6.416 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.504 -6.051 -1.149 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.549 -4.967 -4.891 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.648 -4.777 -5.831 1.00 0.00 C ATOM 1459 C LEU A 96 -8.954 -6.070 -6.581 1.00 0.00 C ATOM 1460 O LEU A 96 -8.109 -6.593 -7.306 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.309 -3.665 -6.826 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.514 -2.234 -6.328 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.364 -1.813 -5.426 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.652 -1.276 -7.502 1.00 0.00 C ATOM 0 H LEU A 96 -6.671 -5.255 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.533 -4.490 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.267 -3.778 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.916 -3.808 -7.720 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.435 -2.200 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.527 -0.792 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.312 -2.482 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.428 -1.863 -5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.797 -0.262 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.748 -1.313 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.510 -1.566 -8.109 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.169 -6.579 -6.401 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.586 -7.809 -7.062 1.00 0.00 C ATOM 1478 C ASN A 97 -11.850 -7.583 -7.886 1.00 0.00 C ATOM 1479 O ASN A 97 -12.324 -6.454 -8.016 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.829 -8.911 -6.028 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.101 -8.688 -5.233 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.690 -7.608 -5.275 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.530 -9.712 -4.504 1.00 0.00 N ATOM 0 H ASN A 97 -10.881 -6.159 -5.803 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.786 -8.120 -7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.885 -9.875 -6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.981 -8.958 -5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.381 -9.622 -3.948 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.009 -10.589 -4.500 1.00 0.00 H new ATOM 1490 N MET A 98 -12.391 -8.663 -8.440 1.00 0.00 N ATOM 1491 CA MET A 98 -13.602 -8.582 -9.250 1.00 0.00 C ATOM 1492 C MET A 98 -14.804 -8.201 -8.393 1.00 0.00 C ATOM 1493 O MET A 98 -15.915 -8.045 -8.900 1.00 0.00 O ATOM 1494 CB MET A 98 -13.862 -9.917 -9.951 1.00 0.00 C ATOM 1495 CG MET A 98 -14.734 -10.866 -9.146 1.00 0.00 C ATOM 1496 SD MET A 98 -15.052 -12.417 -10.008 1.00 0.00 S ATOM 1497 CE MET A 98 -13.704 -13.427 -9.398 1.00 0.00 C ATOM 0 H MET A 98 -12.011 -9.604 -8.343 1.00 0.00 H new ATOM 0 HA MET A 98 -13.455 -7.807 -10.003 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.338 -9.726 -10.913 1.00 0.00 H new ATOM 0 HB3 MET A 98 -12.908 -10.401 -10.158 1.00 0.00 H new ATOM 0 HG2 MET A 98 -14.250 -11.077 -8.192 1.00 0.00 H new ATOM 0 HG3 MET A 98 -15.683 -10.379 -8.921 1.00 0.00 H new ATOM 0 HE1 MET A 98 -14.036 -14.461 -9.308 1.00 0.00 H new ATOM 0 HE2 MET A 98 -12.866 -13.374 -10.093 1.00 0.00 H new ATOM 0 HE3 MET A 98 -13.388 -13.061 -8.421 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.576 -8.054 -7.092 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.642 -7.691 -6.165 1.00 0.00 C ATOM 1509 C LEU A 99 -15.516 -6.234 -5.733 1.00 0.00 C ATOM 1510 O LEU A 99 -16.502 -5.598 -5.365 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.608 -8.603 -4.938 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.517 -10.104 -5.217 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.576 -10.894 -3.920 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.631 -10.538 -6.160 1.00 0.00 C ATOM 0 H LEU A 99 -13.663 -8.181 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.595 -7.817 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.756 -8.317 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.505 -8.418 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.560 -10.308 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.510 -11.960 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.744 -10.603 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.517 -10.686 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.552 -11.609 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.598 -10.320 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.542 -9.996 -7.102 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.295 -5.710 -5.785 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.062 -4.330 -5.399 1.00 0.00 C ATOM 1528 C GLY A 100 -12.695 -4.124 -4.777 1.00 0.00 C ATOM 1529 O GLY A 100 -11.833 -4.999 -4.856 1.00 0.00 O ATOM 0 H GLY A 100 -13.463 -6.216 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.159 -3.690 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.830 -4.019 -4.691 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.497 -2.964 -4.159 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.223 -2.646 -3.524 1.00 0.00 C ATOM 1535 C GLU A 101 -11.306 -2.836 -2.012 1.00 0.00 C ATOM 1536 O GLU A 101 -12.391 -2.805 -1.431 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.812 -1.208 -3.847 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.677 -0.161 -3.168 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.881 0.232 -4.002 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.757 0.262 -5.244 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -13.947 0.508 -3.413 1.00 0.00 O ATOM 0 H GLU A 101 -13.201 -2.230 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.470 -3.329 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.774 -1.060 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.857 -1.060 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.016 -0.544 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.076 0.725 -2.965 1.00 0.00 H new ATOM 1548 N SER A 102 -10.153 -3.033 -1.382 1.00 0.00 N ATOM 1549 CA SER A 102 -10.094 -3.233 0.061 1.00 0.00 C ATOM 1550 C SER A 102 -9.831 -1.913 0.781 1.00 0.00 C ATOM 1551 O SER A 102 -9.595 -0.885 0.148 1.00 0.00 O ATOM 1552 CB SER A 102 -9.004 -4.245 0.414 1.00 0.00 C ATOM 1553 OG SER A 102 -7.737 -3.618 0.514 1.00 0.00 O ATOM 0 H SER A 102 -9.246 -3.058 -1.848 1.00 0.00 H new ATOM 0 HA SER A 102 -11.058 -3.621 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.248 -4.732 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.968 -5.025 -0.346 1.00 0.00 H new ATOM 0 HG SER A 102 -7.632 -3.233 1.409 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.874 -1.953 2.110 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.641 -0.761 2.916 1.00 0.00 C ATOM 1561 C GLU A 103 -8.177 -0.336 2.850 1.00 0.00 C ATOM 1562 O GLU A 103 -7.293 -1.119 2.500 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.044 -1.014 4.370 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.507 -0.719 4.657 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.861 -0.890 6.121 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.255 -0.196 6.964 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.745 -1.718 6.424 1.00 0.00 O ATOM 0 H GLU A 103 -10.068 -2.797 2.650 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.254 0.044 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.836 -2.054 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.424 -0.399 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.735 0.301 4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.132 -1.380 4.057 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.912 0.933 3.194 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.557 1.491 3.182 1.00 0.00 C ATOM 1576 C PRO A 104 -5.680 0.906 4.285 1.00 0.00 C ATOM 1577 O PRO A 104 -5.831 1.246 5.457 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.786 2.986 3.418 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.085 3.059 4.144 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.917 1.921 3.622 1.00 0.00 C ATOM 0 HA PRO A 104 -6.033 1.268 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.979 3.422 4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.827 3.534 2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.936 2.971 5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.577 4.015 3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.575 1.518 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.551 2.234 2.793 1.00 0.00 H new ATOM 1588 N SER A 105 -4.762 0.026 3.898 1.00 0.00 N ATOM 1589 CA SER A 105 -3.862 -0.610 4.856 1.00 0.00 C ATOM 1590 C SER A 105 -3.296 0.417 5.832 1.00 0.00 C ATOM 1591 O SER A 105 -3.240 1.610 5.533 1.00 0.00 O ATOM 1592 CB SER A 105 -2.721 -1.316 4.122 1.00 0.00 C ATOM 1593 OG SER A 105 -1.701 -0.401 3.761 1.00 0.00 O ATOM 0 H SER A 105 -4.621 -0.263 2.930 1.00 0.00 H new ATOM 0 HA SER A 105 -4.432 -1.347 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.304 -2.097 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.108 -1.805 3.228 1.00 0.00 H new ATOM 0 HG SER A 105 -0.966 -0.460 4.406 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.876 -0.055 7.001 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.312 0.819 8.020 1.00 0.00 C ATOM 1601 C ALA A 106 -1.200 1.690 7.443 1.00 0.00 C ATOM 1602 O ALA A 106 -0.384 1.243 6.636 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.789 -0.002 9.190 1.00 0.00 C ATOM 0 H ALA A 106 -2.916 -1.039 7.265 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.104 1.477 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.370 0.665 9.944 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.607 -0.575 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.015 -0.684 8.839 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.165 2.962 7.864 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.157 3.922 7.403 1.00 0.00 C ATOM 1611 C PRO A 107 1.234 3.604 7.937 1.00 0.00 C ATOM 1612 O PRO A 107 1.628 4.088 8.998 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.654 5.256 7.965 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.470 4.886 9.156 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.106 3.562 8.826 1.00 0.00 C ATOM 0 HA PRO A 107 -0.053 3.913 6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.178 5.904 8.241 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.249 5.798 7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.847 4.809 10.047 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.227 5.643 9.361 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.224 2.941 9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.098 3.690 8.392 1.00 0.00 H new ATOM 1623 N SER A 108 1.976 2.788 7.194 1.00 0.00 N ATOM 1624 CA SER A 108 3.324 2.402 7.595 1.00 0.00 C ATOM 1625 C SER A 108 4.079 3.593 8.179 1.00 0.00 C ATOM 1626 O SER A 108 3.808 4.743 7.833 1.00 0.00 O ATOM 1627 CB SER A 108 4.091 1.834 6.401 1.00 0.00 C ATOM 1628 OG SER A 108 5.491 1.964 6.585 1.00 0.00 O ATOM 0 H SER A 108 1.666 2.382 6.311 1.00 0.00 H new ATOM 0 HA SER A 108 3.242 1.633 8.364 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.835 0.783 6.267 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.791 2.354 5.491 1.00 0.00 H new ATOM 0 HG SER A 108 5.935 1.135 6.311 1.00 0.00 H new ATOM 1634 N ARG A 109 5.027 3.309 9.066 1.00 0.00 N ATOM 1635 CA ARG A 109 5.820 4.355 9.699 1.00 0.00 C ATOM 1636 C ARG A 109 6.281 5.384 8.671 1.00 0.00 C ATOM 1637 O ARG A 109 6.426 5.090 7.484 1.00 0.00 O ATOM 1638 CB ARG A 109 7.031 3.747 10.407 1.00 0.00 C ATOM 1639 CG ARG A 109 6.666 2.862 11.588 1.00 0.00 C ATOM 1640 CD ARG A 109 7.766 1.857 11.893 1.00 0.00 C ATOM 1641 NE ARG A 109 7.681 1.349 13.259 1.00 0.00 N ATOM 1642 CZ ARG A 109 8.043 2.051 14.327 1.00 0.00 C ATOM 1643 NH1 ARG A 109 8.512 3.283 14.188 1.00 0.00 N ATOM 1644 NH2 ARG A 109 7.935 1.520 15.539 1.00 0.00 N ATOM 0 H ARG A 109 5.264 2.362 9.362 1.00 0.00 H new ATOM 0 HA ARG A 109 5.193 4.858 10.435 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.605 3.161 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.680 4.551 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.485 3.482 12.466 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.737 2.333 11.374 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.701 1.025 11.192 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.738 2.326 11.741 1.00 0.00 H new ATOM 0 HE ARG A 109 7.324 0.404 13.401 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.596 3.695 13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.789 3.819 15.010 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.574 0.573 15.650 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.213 2.059 16.359 1.00 0.00 H new ATOM 1658 N PRO A 110 6.518 6.619 9.136 1.00 0.00 N ATOM 1659 CA PRO A 110 6.967 7.717 8.273 1.00 0.00 C ATOM 1660 C PRO A 110 8.397 7.522 7.783 1.00 0.00 C ATOM 1661 O PRO A 110 9.292 7.199 8.564 1.00 0.00 O ATOM 1662 CB PRO A 110 6.876 8.944 9.184 1.00 0.00 C ATOM 1663 CG PRO A 110 7.008 8.401 10.565 1.00 0.00 C ATOM 1664 CD PRO A 110 6.366 7.041 10.539 1.00 0.00 C ATOM 0 HA PRO A 110 6.365 7.796 7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.667 9.661 8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.928 9.465 9.053 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.055 8.332 10.859 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.516 9.051 11.289 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.860 6.350 11.222 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.318 7.086 10.834 1.00 0.00 H new ATOM 1672 N TYR A 111 8.605 7.719 6.486 1.00 0.00 N ATOM 1673 CA TYR A 111 9.928 7.562 5.891 1.00 0.00 C ATOM 1674 C TYR A 111 10.382 8.858 5.225 1.00 0.00 C ATOM 1675 O TYR A 111 9.769 9.324 4.266 1.00 0.00 O ATOM 1676 CB TYR A 111 9.918 6.425 4.869 1.00 0.00 C ATOM 1677 CG TYR A 111 11.293 6.068 4.348 1.00 0.00 C ATOM 1678 CD1 TYR A 111 11.943 6.883 3.431 1.00 0.00 C ATOM 1679 CD2 TYR A 111 11.940 4.916 4.774 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.198 6.561 2.952 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.196 4.585 4.302 1.00 0.00 C ATOM 1682 CZ TYR A 111 13.821 5.411 3.391 1.00 0.00 C ATOM 1683 OH TYR A 111 15.071 5.087 2.917 1.00 0.00 O ATOM 0 H TYR A 111 7.875 7.988 5.826 1.00 0.00 H new ATOM 0 HA TYR A 111 10.631 7.319 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.470 5.542 5.325 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.282 6.707 4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.459 7.785 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.453 4.267 5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.689 7.206 2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.685 3.685 4.644 1.00 0.00 H new ATOM 0 HH TYR A 111 15.369 4.248 3.326 1.00 0.00 H new ATOM 1693 N VAL A 112 11.463 9.434 5.742 1.00 0.00 N ATOM 1694 CA VAL A 112 12.002 10.674 5.198 1.00 0.00 C ATOM 1695 C VAL A 112 13.094 10.394 4.172 1.00 0.00 C ATOM 1696 O VAL A 112 14.203 9.990 4.523 1.00 0.00 O ATOM 1697 CB VAL A 112 12.576 11.571 6.310 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.132 12.860 5.723 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.513 11.869 7.357 1.00 0.00 C ATOM 0 H VAL A 112 11.982 9.061 6.537 1.00 0.00 H new ATOM 0 HA VAL A 112 11.176 11.193 4.713 1.00 0.00 H new ATOM 0 HB VAL A 112 13.393 11.038 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.533 13.481 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.926 12.624 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.336 13.399 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.937 12.504 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.673 12.381 6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.166 10.935 7.800 1.00 0.00 H new ATOM 1709 N VAL A 113 12.774 10.613 2.899 1.00 0.00 N ATOM 1710 CA VAL A 113 13.727 10.386 1.821 1.00 0.00 C ATOM 1711 C VAL A 113 14.758 11.508 1.754 1.00 0.00 C ATOM 1712 O VAL A 113 14.432 12.644 1.411 1.00 0.00 O ATOM 1713 CB VAL A 113 13.018 10.273 0.458 1.00 0.00 C ATOM 1714 CG1 VAL A 113 14.007 10.480 -0.678 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.321 8.927 0.332 1.00 0.00 C ATOM 0 H VAL A 113 11.861 10.948 2.591 1.00 0.00 H new ATOM 0 HA VAL A 113 14.232 9.445 2.038 1.00 0.00 H new ATOM 0 HB VAL A 113 12.262 11.056 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.487 10.396 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.455 11.470 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.788 9.722 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.825 8.863 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.057 8.127 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.581 8.825 1.126 1.00 0.00 H new ATOM 1725 N SER A 114 16.004 11.181 2.082 1.00 0.00 N ATOM 1726 CA SER A 114 17.083 12.161 2.063 1.00 0.00 C ATOM 1727 C SER A 114 18.097 11.830 0.972 1.00 0.00 C ATOM 1728 O SER A 114 18.718 12.721 0.395 1.00 0.00 O ATOM 1729 CB SER A 114 17.778 12.214 3.424 1.00 0.00 C ATOM 1730 OG SER A 114 18.507 13.418 3.578 1.00 0.00 O ATOM 0 H SER A 114 16.291 10.244 2.364 1.00 0.00 H new ATOM 0 HA SER A 114 16.650 13.138 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.036 12.131 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.451 11.362 3.526 1.00 0.00 H new ATOM 0 HG SER A 114 18.941 13.428 4.457 1.00 0.00 H new