USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 43 THR OG1 : rot 82:sc= 0.213 USER MOD Set 1.2: A 44 ASN : amide:sc= 0.155 K(o=0.37,f=-0.74) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.97 K(o=-2,f=-1.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0.428 USER MOD Single : A 47 MET CE :methyl -153:sc= -0.0635 (180deg=-0.851) USER MOD Single : A 57 CYS SG : rot 9:sc= -2.61! USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= -0.0691 (180deg=-1.13) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.26! C(o=-4.3!,f=-10!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 7.996 1.863 3.291 1.00 0.00 N ATOM 210 CA GLY A 17 7.085 2.494 4.228 1.00 0.00 C ATOM 211 C GLY A 17 5.948 1.580 4.637 1.00 0.00 C ATOM 212 O GLY A 17 6.098 0.358 4.647 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.637 2.801 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.676 3.399 3.779 1.00 0.00 H new ATOM 216 N ILE A 18 4.808 2.172 4.976 1.00 0.00 N ATOM 217 CA ILE A 18 3.641 1.402 5.388 1.00 0.00 C ATOM 218 C ILE A 18 2.995 0.703 4.197 1.00 0.00 C ATOM 219 O ILE A 18 2.972 1.236 3.087 1.00 0.00 O ATOM 220 CB ILE A 18 2.591 2.294 6.076 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.155 2.872 7.376 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.320 1.504 6.348 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.414 4.098 7.864 1.00 0.00 C ATOM 0 H ILE A 18 4.668 3.182 4.974 1.00 0.00 H new ATOM 0 HA ILE A 18 3.992 0.654 6.099 1.00 0.00 H new ATOM 0 HB ILE A 18 2.345 3.120 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.121 2.105 8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.204 3.127 7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.588 2.149 6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.911 1.137 5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.549 0.660 6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.868 4.453 8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.469 4.881 7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.370 3.843 8.047 1.00 0.00 H new ATOM 235 N THR A 19 2.468 -0.495 4.435 1.00 0.00 N ATOM 236 CA THR A 19 1.821 -1.267 3.382 1.00 0.00 C ATOM 237 C THR A 19 0.414 -1.688 3.794 1.00 0.00 C ATOM 238 O THR A 19 0.094 -1.737 4.981 1.00 0.00 O ATOM 239 CB THR A 19 2.636 -2.524 3.025 1.00 0.00 C ATOM 240 OG1 THR A 19 2.774 -3.362 4.178 1.00 0.00 O ATOM 241 CG2 THR A 19 4.012 -2.145 2.499 1.00 0.00 C ATOM 0 H THR A 19 2.477 -0.951 5.348 1.00 0.00 H new ATOM 0 HA THR A 19 1.763 -0.620 2.507 1.00 0.00 H new ATOM 0 HB THR A 19 2.103 -3.066 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.292 -4.160 3.942 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.569 -3.049 2.254 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.903 -1.532 1.605 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.551 -1.582 3.261 1.00 0.00 H new ATOM 249 N ALA A 20 -0.421 -1.990 2.806 1.00 0.00 N ATOM 250 CA ALA A 20 -1.793 -2.409 3.067 1.00 0.00 C ATOM 251 C ALA A 20 -2.316 -3.303 1.948 1.00 0.00 C ATOM 252 O ALA A 20 -1.749 -3.344 0.856 1.00 0.00 O ATOM 253 CB ALA A 20 -2.692 -1.194 3.240 1.00 0.00 C ATOM 0 H ALA A 20 -0.172 -1.953 1.818 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.801 -2.987 3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.713 -1.522 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.337 -0.595 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.671 -0.593 2.331 1.00 0.00 H new ATOM 259 N VAL A 21 -3.402 -4.018 2.226 1.00 0.00 N ATOM 260 CA VAL A 21 -4.002 -4.911 1.242 1.00 0.00 C ATOM 261 C VAL A 21 -5.458 -4.543 0.983 1.00 0.00 C ATOM 262 O VAL A 21 -6.259 -4.445 1.912 1.00 0.00 O ATOM 263 CB VAL A 21 -3.928 -6.380 1.698 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.711 -6.579 2.987 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.442 -7.304 0.605 1.00 0.00 C ATOM 0 H VAL A 21 -3.884 -3.996 3.125 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.432 -4.796 0.320 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.885 -6.630 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.647 -7.623 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.292 -5.945 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.755 -6.312 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.382 -8.338 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.479 -7.056 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.834 -7.181 -0.291 1.00 0.00 H new ATOM 275 N ALA A 22 -5.795 -4.341 -0.287 1.00 0.00 N ATOM 276 CA ALA A 22 -7.156 -3.987 -0.670 1.00 0.00 C ATOM 277 C ALA A 22 -8.143 -5.073 -0.256 1.00 0.00 C ATOM 278 O ALA A 22 -7.815 -6.260 -0.264 1.00 0.00 O ATOM 279 CB ALA A 22 -7.236 -3.742 -2.169 1.00 0.00 C ATOM 0 H ALA A 22 -5.143 -4.417 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.426 -3.069 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.258 -3.479 -2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.567 -2.926 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.941 -4.646 -2.702 1.00 0.00 H new ATOM 285 N LEU A 23 -9.352 -4.659 0.107 1.00 0.00 N ATOM 286 CA LEU A 23 -10.388 -5.598 0.526 1.00 0.00 C ATOM 287 C LEU A 23 -11.478 -5.714 -0.535 1.00 0.00 C ATOM 288 O LEU A 23 -12.137 -6.747 -0.652 1.00 0.00 O ATOM 289 CB LEU A 23 -10.999 -5.153 1.856 1.00 0.00 C ATOM 290 CG LEU A 23 -10.035 -5.056 3.038 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.730 -4.444 4.245 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.473 -6.428 3.383 1.00 0.00 C ATOM 0 H LEU A 23 -9.639 -3.680 0.120 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.927 -6.577 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.464 -4.178 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.795 -5.850 2.118 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.207 -4.407 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.028 -4.383 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.082 -3.444 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.578 -5.066 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.789 -6.339 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.290 -7.100 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.938 -6.829 2.522 1.00 0.00 H new ATOM 304 N TYR A 24 -11.662 -4.648 -1.306 1.00 0.00 N ATOM 305 CA TYR A 24 -12.673 -4.630 -2.357 1.00 0.00 C ATOM 306 C TYR A 24 -12.173 -3.866 -3.580 1.00 0.00 C ATOM 307 O TYR A 24 -11.395 -2.920 -3.460 1.00 0.00 O ATOM 308 CB TYR A 24 -13.965 -3.996 -1.839 1.00 0.00 C ATOM 309 CG TYR A 24 -14.339 -4.438 -0.442 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.831 -3.783 0.673 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.198 -5.510 -0.237 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.169 -4.183 1.952 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.543 -5.915 1.038 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.025 -5.249 2.129 1.00 0.00 C ATOM 315 OH TYR A 24 -15.365 -5.651 3.400 1.00 0.00 O ATOM 0 H TYR A 24 -11.124 -3.785 -1.223 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.874 -5.660 -2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.858 -2.911 -1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.780 -4.244 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.161 -2.947 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.603 -6.036 -1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.765 -3.663 2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.215 -6.749 1.180 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.977 -6.415 3.349 1.00 0.00 H new ATOM 325 N ASP A 25 -12.627 -4.285 -4.756 1.00 0.00 N ATOM 326 CA ASP A 25 -12.229 -3.641 -6.002 1.00 0.00 C ATOM 327 C ASP A 25 -12.587 -2.158 -5.986 1.00 0.00 C ATOM 328 O ASP A 25 -13.743 -1.791 -5.774 1.00 0.00 O ATOM 329 CB ASP A 25 -12.900 -4.328 -7.193 1.00 0.00 C ATOM 330 CG ASP A 25 -14.412 -4.238 -7.136 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.035 -5.111 -6.496 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.973 -3.294 -7.731 1.00 0.00 O ATOM 0 H ASP A 25 -13.271 -5.068 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.147 -3.734 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.546 -3.873 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.602 -5.376 -7.219 1.00 0.00 H new ATOM 337 N TYR A 26 -11.589 -1.311 -6.211 1.00 0.00 N ATOM 338 CA TYR A 26 -11.798 0.132 -6.219 1.00 0.00 C ATOM 339 C TYR A 26 -11.601 0.703 -7.620 1.00 0.00 C ATOM 340 O TYR A 26 -11.032 0.049 -8.494 1.00 0.00 O ATOM 341 CB TYR A 26 -10.840 0.812 -5.240 1.00 0.00 C ATOM 342 CG TYR A 26 -11.293 2.188 -4.807 1.00 0.00 C ATOM 343 CD1 TYR A 26 -12.229 2.346 -3.792 1.00 0.00 C ATOM 344 CD2 TYR A 26 -10.787 3.331 -5.415 1.00 0.00 C ATOM 345 CE1 TYR A 26 -12.646 3.601 -3.394 1.00 0.00 C ATOM 346 CE2 TYR A 26 -11.198 4.590 -5.022 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.128 4.720 -4.012 1.00 0.00 C ATOM 348 OH TYR A 26 -12.540 5.973 -3.619 1.00 0.00 O ATOM 0 H TYR A 26 -10.627 -1.599 -6.390 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.824 0.327 -5.908 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.727 0.182 -4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.856 0.891 -5.703 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.637 1.472 -3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.060 3.233 -6.208 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.374 3.706 -2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.793 5.468 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.078 6.652 -4.154 1.00 0.00 H new ATOM 358 N GLN A 27 -12.075 1.928 -7.825 1.00 0.00 N ATOM 359 CA GLN A 27 -11.952 2.588 -9.119 1.00 0.00 C ATOM 360 C GLN A 27 -11.843 4.100 -8.951 1.00 0.00 C ATOM 361 O GLN A 27 -12.814 4.765 -8.590 1.00 0.00 O ATOM 362 CB GLN A 27 -13.150 2.246 -10.006 1.00 0.00 C ATOM 363 CG GLN A 27 -13.093 0.844 -10.592 1.00 0.00 C ATOM 364 CD GLN A 27 -11.795 0.571 -11.327 1.00 0.00 C ATOM 365 OE1 GLN A 27 -11.391 1.336 -12.203 1.00 0.00 O ATOM 366 NE2 GLN A 27 -11.133 -0.524 -10.972 1.00 0.00 N ATOM 0 H GLN A 27 -12.548 2.483 -7.112 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.041 2.228 -9.597 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.065 2.350 -9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.207 2.969 -10.820 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.213 0.114 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.930 0.706 -11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.505 -1.130 -10.241 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.253 -0.759 -11.431 1.00 0.00 H new ATOM 375 N ALA A 28 -10.656 4.636 -9.214 1.00 0.00 N ATOM 376 CA ALA A 28 -10.422 6.070 -9.093 1.00 0.00 C ATOM 377 C ALA A 28 -11.496 6.865 -9.828 1.00 0.00 C ATOM 378 O ALA A 28 -11.788 6.601 -10.994 1.00 0.00 O ATOM 379 CB ALA A 28 -9.042 6.425 -9.626 1.00 0.00 C ATOM 0 H ALA A 28 -9.842 4.099 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.471 6.334 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.880 7.499 -9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.283 5.891 -9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.973 6.140 -10.676 1.00 0.00 H new ATOM 385 N ALA A 29 -12.080 7.839 -9.138 1.00 0.00 N ATOM 386 CA ALA A 29 -13.120 8.674 -9.726 1.00 0.00 C ATOM 387 C ALA A 29 -12.622 10.098 -9.946 1.00 0.00 C ATOM 388 O ALA A 29 -13.414 11.022 -10.129 1.00 0.00 O ATOM 389 CB ALA A 29 -14.358 8.676 -8.841 1.00 0.00 C ATOM 0 H ALA A 29 -11.851 8.069 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.382 8.255 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.127 9.304 -9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.734 7.658 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.101 9.068 -7.857 1.00 0.00 H new ATOM 395 N GLY A 30 -11.304 10.270 -9.925 1.00 0.00 N ATOM 396 CA GLY A 30 -10.724 11.585 -10.122 1.00 0.00 C ATOM 397 C GLY A 30 -10.127 12.152 -8.850 1.00 0.00 C ATOM 398 O GLY A 30 -9.783 11.408 -7.931 1.00 0.00 O ATOM 0 H GLY A 30 -10.627 9.522 -9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.951 11.526 -10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.491 12.265 -10.494 1.00 0.00 H new ATOM 402 N ASP A 31 -10.001 13.474 -8.795 1.00 0.00 N ATOM 403 CA ASP A 31 -9.440 14.141 -7.625 1.00 0.00 C ATOM 404 C ASP A 31 -8.079 13.552 -7.265 1.00 0.00 C ATOM 405 O ASP A 31 -7.703 13.506 -6.094 1.00 0.00 O ATOM 406 CB ASP A 31 -10.394 14.018 -6.436 1.00 0.00 C ATOM 407 CG ASP A 31 -11.804 14.458 -6.777 1.00 0.00 C ATOM 408 OD1 ASP A 31 -11.966 15.589 -7.282 1.00 0.00 O ATOM 409 OD2 ASP A 31 -12.745 13.672 -6.539 1.00 0.00 O ATOM 0 H ASP A 31 -10.280 14.105 -9.547 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.307 15.196 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.412 12.983 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.019 14.620 -5.609 1.00 0.00 H new ATOM 414 N ASP A 32 -7.347 13.104 -8.278 1.00 0.00 N ATOM 415 CA ASP A 32 -6.028 12.518 -8.068 1.00 0.00 C ATOM 416 C ASP A 32 -6.137 11.173 -7.357 1.00 0.00 C ATOM 417 O ASP A 32 -5.205 10.741 -6.681 1.00 0.00 O ATOM 418 CB ASP A 32 -5.148 13.469 -7.256 1.00 0.00 C ATOM 419 CG ASP A 32 -3.676 13.324 -7.590 1.00 0.00 C ATOM 420 OD1 ASP A 32 -3.345 13.255 -8.792 1.00 0.00 O ATOM 421 OD2 ASP A 32 -2.856 13.281 -6.649 1.00 0.00 O ATOM 0 H ASP A 32 -7.644 13.135 -9.253 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.570 12.356 -9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.460 14.497 -7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.297 13.279 -6.193 1.00 0.00 H new ATOM 426 N GLU A 33 -7.283 10.518 -7.515 1.00 0.00 N ATOM 427 CA GLU A 33 -7.514 9.223 -6.885 1.00 0.00 C ATOM 428 C GLU A 33 -6.879 8.100 -7.701 1.00 0.00 C ATOM 429 O GLU A 33 -6.699 8.225 -8.913 1.00 0.00 O ATOM 430 CB GLU A 33 -9.015 8.967 -6.728 1.00 0.00 C ATOM 431 CG GLU A 33 -9.701 9.937 -5.781 1.00 0.00 C ATOM 432 CD GLU A 33 -11.167 10.138 -6.114 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.554 9.879 -7.272 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.927 10.555 -5.214 1.00 0.00 O ATOM 0 H GLU A 33 -8.065 10.862 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.050 9.240 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.490 9.030 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.166 7.950 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.612 9.567 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.189 10.898 -5.817 1.00 0.00 H new ATOM 441 N ILE A 34 -6.541 7.006 -7.028 1.00 0.00 N ATOM 442 CA ILE A 34 -5.927 5.862 -7.689 1.00 0.00 C ATOM 443 C ILE A 34 -6.865 4.660 -7.694 1.00 0.00 C ATOM 444 O ILE A 34 -7.827 4.608 -6.928 1.00 0.00 O ATOM 445 CB ILE A 34 -4.603 5.462 -7.010 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.843 5.125 -5.537 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.581 6.581 -7.143 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.657 4.466 -4.867 1.00 0.00 C ATOM 0 H ILE A 34 -6.682 6.888 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.723 6.165 -8.716 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.209 4.576 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.092 6.040 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.707 4.465 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.651 6.284 -6.659 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.393 6.779 -8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.965 7.483 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.898 4.256 -3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.421 3.534 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.796 5.133 -4.912 1.00 0.00 H new ATOM 460 N SER A 35 -6.578 3.695 -8.563 1.00 0.00 N ATOM 461 CA SER A 35 -7.398 2.494 -8.669 1.00 0.00 C ATOM 462 C SER A 35 -6.555 1.240 -8.456 1.00 0.00 C ATOM 463 O SER A 35 -5.433 1.141 -8.953 1.00 0.00 O ATOM 464 CB SER A 35 -8.081 2.437 -10.037 1.00 0.00 C ATOM 465 OG SER A 35 -8.444 3.733 -10.480 1.00 0.00 O ATOM 0 H SER A 35 -5.784 3.722 -9.203 1.00 0.00 H new ATOM 0 HA SER A 35 -8.161 2.534 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.411 1.976 -10.763 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.969 1.808 -9.978 1.00 0.00 H new ATOM 0 HG SER A 35 -8.877 3.670 -11.357 1.00 0.00 H new ATOM 471 N PHE A 36 -7.104 0.285 -7.714 1.00 0.00 N ATOM 472 CA PHE A 36 -6.404 -0.963 -7.433 1.00 0.00 C ATOM 473 C PHE A 36 -7.388 -2.122 -7.303 1.00 0.00 C ATOM 474 O PHE A 36 -8.546 -1.929 -6.931 1.00 0.00 O ATOM 475 CB PHE A 36 -5.580 -0.833 -6.150 1.00 0.00 C ATOM 476 CG PHE A 36 -6.214 0.056 -5.119 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.431 -0.280 -4.549 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.592 1.228 -4.718 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.017 0.537 -3.601 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.172 2.048 -3.769 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.386 1.702 -3.209 1.00 0.00 C ATOM 0 H PHE A 36 -8.032 0.351 -7.296 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.734 -1.170 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.431 -1.824 -5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.594 -0.441 -6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.928 -1.191 -4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.642 1.504 -5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.968 0.265 -3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.677 2.958 -3.466 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.841 2.341 -2.466 1.00 0.00 H new ATOM 491 N ASP A 37 -6.919 -3.325 -7.614 1.00 0.00 N ATOM 492 CA ASP A 37 -7.757 -4.517 -7.532 1.00 0.00 C ATOM 493 C ASP A 37 -7.900 -4.981 -6.086 1.00 0.00 C ATOM 494 O ASP A 37 -7.119 -4.612 -5.209 1.00 0.00 O ATOM 495 CB ASP A 37 -7.167 -5.640 -8.386 1.00 0.00 C ATOM 496 CG ASP A 37 -5.658 -5.551 -8.498 1.00 0.00 C ATOM 497 OD1 ASP A 37 -5.172 -4.888 -9.438 1.00 0.00 O ATOM 498 OD2 ASP A 37 -4.963 -6.144 -7.647 1.00 0.00 O ATOM 0 H ASP A 37 -5.964 -3.501 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.746 -4.264 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.440 -6.603 -7.954 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.605 -5.602 -9.383 1.00 0.00 H new ATOM 503 N PRO A 38 -8.923 -5.811 -5.830 1.00 0.00 N ATOM 504 CA PRO A 38 -9.193 -6.344 -4.491 1.00 0.00 C ATOM 505 C PRO A 38 -8.138 -7.349 -4.043 1.00 0.00 C ATOM 506 O PRO A 38 -7.768 -8.251 -4.794 1.00 0.00 O ATOM 507 CB PRO A 38 -10.552 -7.031 -4.651 1.00 0.00 C ATOM 508 CG PRO A 38 -10.632 -7.380 -6.097 1.00 0.00 C ATOM 509 CD PRO A 38 -9.893 -6.293 -6.827 1.00 0.00 C ATOM 0 HA PRO A 38 -9.181 -5.563 -3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.622 -7.920 -4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.367 -6.369 -4.358 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.182 -8.354 -6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.669 -7.437 -6.428 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.396 -6.674 -7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.565 -5.498 -7.151 1.00 0.00 H new ATOM 517 N ASP A 39 -7.657 -7.186 -2.815 1.00 0.00 N ATOM 518 CA ASP A 39 -6.644 -8.081 -2.266 1.00 0.00 C ATOM 519 C ASP A 39 -5.280 -7.805 -2.889 1.00 0.00 C ATOM 520 O ASP A 39 -4.434 -8.695 -2.975 1.00 0.00 O ATOM 521 CB ASP A 39 -7.040 -9.539 -2.501 1.00 0.00 C ATOM 522 CG ASP A 39 -8.504 -9.798 -2.200 1.00 0.00 C ATOM 523 OD1 ASP A 39 -9.355 -9.439 -3.041 1.00 0.00 O ATOM 524 OD2 ASP A 39 -8.798 -10.360 -1.124 1.00 0.00 O ATOM 0 H ASP A 39 -7.952 -6.443 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.577 -7.899 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.832 -9.806 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.424 -10.185 -1.876 1.00 0.00 H new ATOM 529 N ASP A 40 -5.073 -6.566 -3.323 1.00 0.00 N ATOM 530 CA ASP A 40 -3.811 -6.173 -3.939 1.00 0.00 C ATOM 531 C ASP A 40 -2.798 -5.751 -2.880 1.00 0.00 C ATOM 532 O ASP A 40 -3.113 -5.703 -1.690 1.00 0.00 O ATOM 533 CB ASP A 40 -4.038 -5.029 -4.930 1.00 0.00 C ATOM 534 CG ASP A 40 -2.973 -4.978 -6.008 1.00 0.00 C ATOM 535 OD1 ASP A 40 -2.371 -6.034 -6.299 1.00 0.00 O ATOM 536 OD2 ASP A 40 -2.742 -3.883 -6.562 1.00 0.00 O ATOM 0 H ASP A 40 -5.763 -5.817 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.412 -7.034 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.017 -5.144 -5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.051 -4.082 -4.391 1.00 0.00 H new ATOM 541 N ILE A 41 -1.581 -5.448 -3.320 1.00 0.00 N ATOM 542 CA ILE A 41 -0.522 -5.031 -2.409 1.00 0.00 C ATOM 543 C ILE A 41 -0.050 -3.616 -2.727 1.00 0.00 C ATOM 544 O ILE A 41 0.255 -3.297 -3.877 1.00 0.00 O ATOM 545 CB ILE A 41 0.682 -5.989 -2.470 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.236 -7.423 -2.179 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.756 -5.552 -1.485 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.363 -7.602 -0.802 1.00 0.00 C ATOM 0 H ILE A 41 -1.304 -5.483 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.942 -5.054 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 41 1.103 -5.957 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.497 -7.726 -2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.092 -8.089 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.601 -6.239 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.090 -4.545 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.347 -5.559 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.657 -8.643 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.374 -7.331 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.239 -6.962 -0.700 1.00 0.00 H new ATOM 560 N ILE A 42 0.011 -2.774 -1.701 1.00 0.00 N ATOM 561 CA ILE A 42 0.450 -1.395 -1.871 1.00 0.00 C ATOM 562 C ILE A 42 1.650 -1.086 -0.982 1.00 0.00 C ATOM 563 O ILE A 42 1.804 -1.662 0.096 1.00 0.00 O ATOM 564 CB ILE A 42 -0.682 -0.400 -1.549 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.848 -0.590 -2.520 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.163 1.029 -1.608 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.877 -1.591 -2.041 1.00 0.00 C ATOM 0 H ILE A 42 -0.238 -3.023 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 42 0.736 -1.282 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.041 -0.594 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.336 0.371 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.458 -0.916 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.974 1.720 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.639 1.155 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.219 1.237 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.674 -1.675 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.403 -2.564 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.295 -1.257 -1.092 1.00 0.00 H new ATOM 579 N THR A 43 2.500 -0.172 -1.440 1.00 0.00 N ATOM 580 CA THR A 43 3.686 0.214 -0.687 1.00 0.00 C ATOM 581 C THR A 43 3.880 1.726 -0.704 1.00 0.00 C ATOM 582 O THR A 43 3.311 2.425 -1.542 1.00 0.00 O ATOM 583 CB THR A 43 4.952 -0.460 -1.249 1.00 0.00 C ATOM 584 OG1 THR A 43 5.211 0.013 -2.576 1.00 0.00 O ATOM 585 CG2 THR A 43 4.797 -1.973 -1.266 1.00 0.00 C ATOM 0 H THR A 43 2.388 0.315 -2.329 1.00 0.00 H new ATOM 0 HA THR A 43 3.531 -0.119 0.339 1.00 0.00 H new ATOM 0 HB THR A 43 5.791 -0.204 -0.602 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.670 0.878 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.703 -2.427 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.629 -2.333 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.947 -2.245 -1.892 1.00 0.00 H new ATOM 593 N ASN A 44 4.686 2.225 0.228 1.00 0.00 N ATOM 594 CA ASN A 44 4.954 3.656 0.320 1.00 0.00 C ATOM 595 C ASN A 44 3.687 4.425 0.682 1.00 0.00 C ATOM 596 O ASN A 44 3.413 5.487 0.122 1.00 0.00 O ATOM 597 CB ASN A 44 5.520 4.176 -1.003 1.00 0.00 C ATOM 598 CG ASN A 44 6.648 3.309 -1.530 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.593 2.818 -2.657 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.678 3.118 -0.714 1.00 0.00 N ATOM 0 H ASN A 44 5.165 1.660 0.930 1.00 0.00 H new ATOM 0 HA ASN A 44 5.690 3.813 1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.722 4.220 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.882 5.195 -0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.466 2.544 -1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.681 3.545 0.212 1.00 0.00 H new ATOM 607 N ILE A 45 2.919 3.881 1.620 1.00 0.00 N ATOM 608 CA ILE A 45 1.683 4.517 2.057 1.00 0.00 C ATOM 609 C ILE A 45 1.969 5.729 2.937 1.00 0.00 C ATOM 610 O ILE A 45 2.860 5.696 3.785 1.00 0.00 O ATOM 611 CB ILE A 45 0.788 3.533 2.834 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.357 2.378 1.928 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.428 4.254 3.397 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.341 1.258 2.668 1.00 0.00 C ATOM 0 H ILE A 45 3.131 3.002 2.092 1.00 0.00 H new ATOM 0 HA ILE A 45 1.159 4.840 1.157 1.00 0.00 H new ATOM 0 HB ILE A 45 1.360 3.123 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.309 2.762 1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.235 1.977 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.051 3.545 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.102 5.045 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.004 4.688 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.618 0.474 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.330 0.847 3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.238 1.645 3.152 1.00 0.00 H new ATOM 626 N GLU A 46 1.206 6.798 2.729 1.00 0.00 N ATOM 627 CA GLU A 46 1.377 8.021 3.505 1.00 0.00 C ATOM 628 C GLU A 46 0.060 8.449 4.144 1.00 0.00 C ATOM 629 O GLU A 46 -0.786 9.064 3.495 1.00 0.00 O ATOM 630 CB GLU A 46 1.914 9.144 2.615 1.00 0.00 C ATOM 631 CG GLU A 46 3.432 9.222 2.583 1.00 0.00 C ATOM 632 CD GLU A 46 3.941 10.286 1.630 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.968 10.023 0.409 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.312 11.380 2.104 1.00 0.00 O ATOM 0 H GLU A 46 0.464 6.842 2.030 1.00 0.00 H new ATOM 0 HA GLU A 46 2.097 7.820 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.544 9.000 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.517 10.096 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.803 9.431 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.836 8.253 2.289 1.00 0.00 H new ATOM 641 N MET A 47 -0.107 8.119 5.420 1.00 0.00 N ATOM 642 CA MET A 47 -1.321 8.470 6.148 1.00 0.00 C ATOM 643 C MET A 47 -1.613 9.962 6.030 1.00 0.00 C ATOM 644 O MET A 47 -0.996 10.780 6.713 1.00 0.00 O ATOM 645 CB MET A 47 -1.190 8.078 7.621 1.00 0.00 C ATOM 646 CG MET A 47 -1.054 6.581 7.842 1.00 0.00 C ATOM 647 SD MET A 47 -1.580 6.071 9.490 1.00 0.00 S ATOM 648 CE MET A 47 -2.167 4.412 9.160 1.00 0.00 C ATOM 0 H MET A 47 0.583 7.609 5.972 1.00 0.00 H new ATOM 0 HA MET A 47 -2.152 7.919 5.706 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.321 8.580 8.046 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.064 8.439 8.164 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.647 6.052 7.096 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.015 6.288 7.690 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.927 4.143 9.893 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.597 4.370 8.159 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.335 3.712 9.227 1.00 0.00 H new ATOM 658 N ILE A 48 -2.557 10.309 5.161 1.00 0.00 N ATOM 659 CA ILE A 48 -2.930 11.703 4.955 1.00 0.00 C ATOM 660 C ILE A 48 -3.933 12.164 6.007 1.00 0.00 C ATOM 661 O ILE A 48 -3.661 13.084 6.778 1.00 0.00 O ATOM 662 CB ILE A 48 -3.533 11.924 3.555 1.00 0.00 C ATOM 663 CG1 ILE A 48 -2.517 11.550 2.474 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.979 13.369 3.393 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.206 12.296 2.592 1.00 0.00 C ATOM 0 H ILE A 48 -3.077 9.644 4.589 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.016 12.291 5.044 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.406 11.280 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.322 10.479 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.952 11.748 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.403 13.510 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.732 13.604 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.122 14.031 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.535 11.980 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.388 13.368 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.749 12.078 3.557 1.00 0.00 H new ATOM 677 N ASP A 49 -5.093 11.518 6.033 1.00 0.00 N ATOM 678 CA ASP A 49 -6.137 11.859 6.993 1.00 0.00 C ATOM 679 C ASP A 49 -6.691 10.605 7.662 1.00 0.00 C ATOM 680 O ASP A 49 -6.193 9.501 7.444 1.00 0.00 O ATOM 681 CB ASP A 49 -7.267 12.623 6.300 1.00 0.00 C ATOM 682 CG ASP A 49 -8.032 13.518 7.255 1.00 0.00 C ATOM 683 OD1 ASP A 49 -7.452 13.916 8.287 1.00 0.00 O ATOM 684 OD2 ASP A 49 -9.210 13.819 6.971 1.00 0.00 O ATOM 0 H ASP A 49 -5.335 10.755 5.400 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.696 12.495 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.852 13.228 5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.955 11.912 5.843 1.00 0.00 H new ATOM 689 N ASP A 50 -7.723 10.784 8.479 1.00 0.00 N ATOM 690 CA ASP A 50 -8.345 9.667 9.182 1.00 0.00 C ATOM 691 C ASP A 50 -9.425 9.018 8.322 1.00 0.00 C ATOM 692 O ASP A 50 -10.423 8.516 8.836 1.00 0.00 O ATOM 693 CB ASP A 50 -8.946 10.141 10.506 1.00 0.00 C ATOM 694 CG ASP A 50 -7.951 10.081 11.648 1.00 0.00 C ATOM 695 OD1 ASP A 50 -7.337 9.012 11.845 1.00 0.00 O ATOM 696 OD2 ASP A 50 -7.784 11.105 12.343 1.00 0.00 O ATOM 0 H ASP A 50 -8.147 11.692 8.671 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.574 8.924 9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.304 11.164 10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.812 9.525 10.750 1.00 0.00 H new ATOM 701 N GLY A 51 -9.218 9.034 7.008 1.00 0.00 N ATOM 702 CA GLY A 51 -10.182 8.445 6.098 1.00 0.00 C ATOM 703 C GLY A 51 -9.577 8.110 4.749 1.00 0.00 C ATOM 704 O GLY A 51 -9.937 7.107 4.132 1.00 0.00 O ATOM 0 H GLY A 51 -8.400 9.445 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.591 7.539 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.014 9.135 5.958 1.00 0.00 H new ATOM 708 N TRP A 52 -8.657 8.950 4.290 1.00 0.00 N ATOM 709 CA TRP A 52 -8.001 8.737 3.005 1.00 0.00 C ATOM 710 C TRP A 52 -6.485 8.816 3.147 1.00 0.00 C ATOM 711 O TRP A 52 -5.967 9.604 3.939 1.00 0.00 O ATOM 712 CB TRP A 52 -8.485 9.771 1.986 1.00 0.00 C ATOM 713 CG TRP A 52 -9.933 9.620 1.629 1.00 0.00 C ATOM 714 CD1 TRP A 52 -11.005 9.829 2.448 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.466 9.226 0.359 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.173 9.588 1.764 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.869 9.218 0.481 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.894 8.881 -0.868 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.706 8.877 -0.578 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.726 8.543 -1.919 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.119 8.544 -1.769 1.00 0.00 C ATOM 0 H TRP A 52 -8.348 9.785 4.788 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.262 7.739 2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.319 10.771 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.884 9.687 1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.944 10.138 3.481 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.114 9.671 2.150 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.821 8.878 -0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.780 8.875 -0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.295 8.274 -2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.742 8.277 -2.610 1.00 0.00 H new ATOM 732 N TRP A 53 -5.780 7.997 2.376 1.00 0.00 N ATOM 733 CA TRP A 53 -4.322 7.975 2.416 1.00 0.00 C ATOM 734 C TRP A 53 -3.737 8.106 1.015 1.00 0.00 C ATOM 735 O TRP A 53 -4.467 8.099 0.024 1.00 0.00 O ATOM 736 CB TRP A 53 -3.829 6.683 3.070 1.00 0.00 C ATOM 737 CG TRP A 53 -4.320 6.503 4.474 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.596 7.489 5.378 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.589 5.262 5.136 1.00 0.00 C ATOM 740 NE1 TRP A 53 -5.022 6.935 6.562 1.00 0.00 N ATOM 741 CE2 TRP A 53 -5.027 5.571 6.439 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.505 3.921 4.754 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.377 4.586 7.359 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -4.853 2.945 5.668 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.285 3.281 6.958 1.00 0.00 C ATOM 0 H TRP A 53 -6.194 7.339 1.715 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.987 8.825 3.010 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.152 5.834 2.468 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.739 6.677 3.070 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.495 8.548 5.190 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.291 7.456 7.397 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.174 3.652 3.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.709 4.843 8.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.791 1.905 5.383 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.550 2.495 7.649 1.00 0.00 H new ATOM 756 N ARG A 54 -2.415 8.226 0.939 1.00 0.00 N ATOM 757 CA ARG A 54 -1.732 8.360 -0.342 1.00 0.00 C ATOM 758 C ARG A 54 -0.538 7.414 -0.423 1.00 0.00 C ATOM 759 O ARG A 54 0.400 7.513 0.368 1.00 0.00 O ATOM 760 CB ARG A 54 -1.268 9.803 -0.549 1.00 0.00 C ATOM 761 CG ARG A 54 -2.338 10.708 -1.138 1.00 0.00 C ATOM 762 CD ARG A 54 -1.729 11.940 -1.789 1.00 0.00 C ATOM 763 NE ARG A 54 -1.315 12.933 -0.801 1.00 0.00 N ATOM 764 CZ ARG A 54 -1.025 14.193 -1.102 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.105 14.613 -2.358 1.00 0.00 N ATOM 766 NH2 ARG A 54 -0.656 15.037 -0.148 1.00 0.00 N ATOM 0 H ARG A 54 -1.796 8.233 1.750 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.437 8.096 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.944 10.212 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.399 9.806 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.918 10.154 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.030 11.014 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.868 11.645 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.454 12.386 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.245 12.642 0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.390 13.967 -3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.882 15.582 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.595 14.718 0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.434 16.005 -0.381 1.00 0.00 H new ATOM 780 N GLY A 55 -0.580 6.496 -1.384 1.00 0.00 N ATOM 781 CA GLY A 55 0.504 5.545 -1.550 1.00 0.00 C ATOM 782 C GLY A 55 0.754 5.199 -3.004 1.00 0.00 C ATOM 783 O GLY A 55 -0.042 5.543 -3.878 1.00 0.00 O ATOM 0 H GLY A 55 -1.345 6.394 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.415 5.958 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.272 4.634 -0.998 1.00 0.00 H new ATOM 787 N VAL A 56 1.865 4.518 -3.266 1.00 0.00 N ATOM 788 CA VAL A 56 2.219 4.126 -4.625 1.00 0.00 C ATOM 789 C VAL A 56 1.707 2.726 -4.944 1.00 0.00 C ATOM 790 O VAL A 56 2.265 1.730 -4.483 1.00 0.00 O ATOM 791 CB VAL A 56 3.744 4.164 -4.842 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.098 3.667 -6.235 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.278 5.571 -4.617 1.00 0.00 C ATOM 0 H VAL A 56 2.535 4.226 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 56 1.746 4.845 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 56 4.214 3.501 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.179 3.701 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.750 2.641 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.619 4.302 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.357 5.580 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.803 6.257 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.057 5.885 -3.597 1.00 0.00 H new ATOM 803 N CYS A 57 0.642 2.658 -5.735 1.00 0.00 N ATOM 804 CA CYS A 57 0.053 1.379 -6.116 1.00 0.00 C ATOM 805 C CYS A 57 0.164 1.156 -7.621 1.00 0.00 C ATOM 806 O CYS A 57 -0.210 2.018 -8.417 1.00 0.00 O ATOM 807 CB CYS A 57 -1.414 1.321 -5.686 1.00 0.00 C ATOM 808 SG CYS A 57 -2.566 2.004 -6.901 1.00 0.00 S ATOM 0 H CYS A 57 0.169 3.473 -6.125 1.00 0.00 H new ATOM 0 HA CYS A 57 0.604 0.587 -5.608 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.683 0.283 -5.489 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.528 1.864 -4.748 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.931 2.256 -8.007 1.00 0.00 H new ATOM 814 N LYS A 58 0.682 -0.006 -8.005 1.00 0.00 N ATOM 815 CA LYS A 58 0.843 -0.343 -9.414 1.00 0.00 C ATOM 816 C LYS A 58 1.484 0.810 -10.180 1.00 0.00 C ATOM 817 O LYS A 58 1.198 1.020 -11.358 1.00 0.00 O ATOM 818 CB LYS A 58 -0.511 -0.691 -10.035 1.00 0.00 C ATOM 819 CG LYS A 58 -0.944 -2.126 -9.786 1.00 0.00 C ATOM 820 CD LYS A 58 -2.313 -2.407 -10.383 1.00 0.00 C ATOM 821 CE LYS A 58 -2.205 -2.885 -11.823 1.00 0.00 C ATOM 822 NZ LYS A 58 -2.088 -1.748 -12.778 1.00 0.00 N ATOM 0 H LYS A 58 0.997 -0.730 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 58 1.500 -1.210 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.269 -0.017 -9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.464 -0.516 -11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.211 -2.808 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.967 -2.319 -8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.824 -3.162 -9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.921 -1.503 -10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.337 -3.536 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.082 -3.482 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.526 -2.009 -13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.572 -0.915 -12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.084 -1.525 -12.930 1.00 0.00 H new ATOM 836 N GLY A 59 2.354 1.554 -9.503 1.00 0.00 N ATOM 837 CA GLY A 59 3.022 2.675 -10.136 1.00 0.00 C ATOM 838 C GLY A 59 2.133 3.899 -10.236 1.00 0.00 C ATOM 839 O GLY A 59 2.127 4.589 -11.255 1.00 0.00 O ATOM 0 H GLY A 59 2.608 1.400 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.919 2.926 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.347 2.383 -11.135 1.00 0.00 H new ATOM 843 N ARG A 60 1.380 4.169 -9.175 1.00 0.00 N ATOM 844 CA ARG A 60 0.481 5.316 -9.148 1.00 0.00 C ATOM 845 C ARG A 60 0.314 5.843 -7.726 1.00 0.00 C ATOM 846 O ARG A 60 -0.043 5.097 -6.814 1.00 0.00 O ATOM 847 CB ARG A 60 -0.884 4.936 -9.725 1.00 0.00 C ATOM 848 CG ARG A 60 -0.993 5.155 -11.226 1.00 0.00 C ATOM 849 CD ARG A 60 -2.429 5.426 -11.646 1.00 0.00 C ATOM 850 NE ARG A 60 -2.697 4.963 -13.005 1.00 0.00 N ATOM 851 CZ ARG A 60 -3.919 4.837 -13.510 1.00 0.00 C ATOM 852 NH1 ARG A 60 -4.979 5.138 -12.773 1.00 0.00 N ATOM 853 NH2 ARG A 60 -4.083 4.410 -14.756 1.00 0.00 N ATOM 0 H ARG A 60 1.375 3.609 -8.323 1.00 0.00 H new ATOM 0 HA ARG A 60 0.920 6.104 -9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.083 3.887 -9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.656 5.520 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.362 5.994 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.619 4.276 -11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.109 4.931 -10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.630 6.495 -11.581 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.903 4.723 -13.598 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.857 5.467 -11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.916 5.040 -13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.270 4.178 -15.327 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.022 4.314 -15.143 1.00 0.00 H new ATOM 867 N TYR A 61 0.575 7.133 -7.544 1.00 0.00 N ATOM 868 CA TYR A 61 0.457 7.759 -6.232 1.00 0.00 C ATOM 869 C TYR A 61 -0.683 8.772 -6.213 1.00 0.00 C ATOM 870 O TYR A 61 -0.613 9.815 -6.862 1.00 0.00 O ATOM 871 CB TYR A 61 1.770 8.445 -5.851 1.00 0.00 C ATOM 872 CG TYR A 61 1.673 9.286 -4.599 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.312 10.626 -4.664 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.942 8.741 -3.349 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.222 11.399 -3.522 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.853 9.505 -2.202 1.00 0.00 C ATOM 877 CZ TYR A 61 1.493 10.834 -2.294 1.00 0.00 C ATOM 878 OH TYR A 61 1.405 11.599 -1.154 1.00 0.00 O ATOM 0 H TYR A 61 0.870 7.765 -8.288 1.00 0.00 H new ATOM 0 HA TYR A 61 0.238 6.978 -5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.539 7.686 -5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.094 9.076 -6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.098 11.072 -5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.226 7.702 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.941 12.440 -3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.064 9.065 -1.239 1.00 0.00 H new ATOM 0 HH TYR A 61 1.626 11.049 -0.373 1.00 0.00 H new ATOM 888 N GLY A 62 -1.735 8.457 -5.463 1.00 0.00 N ATOM 889 CA GLY A 62 -2.876 9.349 -5.371 1.00 0.00 C ATOM 890 C GLY A 62 -3.674 9.141 -4.099 1.00 0.00 C ATOM 891 O GLY A 62 -3.274 8.370 -3.226 1.00 0.00 O ATOM 0 H GLY A 62 -1.817 7.599 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.530 10.382 -5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.525 9.194 -6.233 1.00 0.00 H new ATOM 895 N LEU A 63 -4.804 9.830 -3.993 1.00 0.00 N ATOM 896 CA LEU A 63 -5.661 9.719 -2.817 1.00 0.00 C ATOM 897 C LEU A 63 -6.563 8.494 -2.915 1.00 0.00 C ATOM 898 O LEU A 63 -7.057 8.158 -3.992 1.00 0.00 O ATOM 899 CB LEU A 63 -6.510 10.981 -2.660 1.00 0.00 C ATOM 900 CG LEU A 63 -5.869 12.129 -1.880 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.387 13.469 -2.378 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.133 11.974 -0.389 1.00 0.00 C ATOM 0 H LEU A 63 -5.149 10.472 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.022 9.607 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.771 11.345 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.442 10.708 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.792 12.096 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.919 14.274 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.146 13.582 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.468 13.513 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.669 12.800 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.208 11.980 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.711 11.031 -0.041 1.00 0.00 H new ATOM 914 N PHE A 64 -6.776 7.830 -1.784 1.00 0.00 N ATOM 915 CA PHE A 64 -7.621 6.642 -1.741 1.00 0.00 C ATOM 916 C PHE A 64 -8.156 6.405 -0.332 1.00 0.00 C ATOM 917 O PHE A 64 -7.525 6.755 0.666 1.00 0.00 O ATOM 918 CB PHE A 64 -6.837 5.416 -2.214 1.00 0.00 C ATOM 919 CG PHE A 64 -5.757 4.992 -1.262 1.00 0.00 C ATOM 920 CD1 PHE A 64 -4.506 5.586 -1.303 1.00 0.00 C ATOM 921 CD2 PHE A 64 -5.991 3.998 -0.325 1.00 0.00 C ATOM 922 CE1 PHE A 64 -3.509 5.197 -0.428 1.00 0.00 C ATOM 923 CE2 PHE A 64 -4.999 3.606 0.553 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.756 4.205 0.501 1.00 0.00 C ATOM 0 H PHE A 64 -6.375 8.094 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.467 6.804 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.529 4.586 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.390 5.632 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.307 6.362 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.960 3.524 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.538 5.668 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.196 2.832 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.979 3.899 1.185 1.00 0.00 H new ATOM 934 N PRO A 65 -9.348 5.797 -0.247 1.00 0.00 N ATOM 935 CA PRO A 65 -9.995 5.499 1.034 1.00 0.00 C ATOM 936 C PRO A 65 -9.271 4.403 1.809 1.00 0.00 C ATOM 937 O PRO A 65 -8.866 3.391 1.238 1.00 0.00 O ATOM 938 CB PRO A 65 -11.394 5.030 0.625 1.00 0.00 C ATOM 939 CG PRO A 65 -11.228 4.508 -0.761 1.00 0.00 C ATOM 940 CD PRO A 65 -10.156 5.352 -1.395 1.00 0.00 C ATOM 0 HA PRO A 65 -9.998 6.362 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.765 4.257 1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.111 5.850 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.942 3.456 -0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.162 4.579 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.562 4.779 -2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.579 6.196 -1.940 1.00 0.00 H new ATOM 948 N ALA A 66 -9.113 4.612 3.112 1.00 0.00 N ATOM 949 CA ALA A 66 -8.439 3.640 3.965 1.00 0.00 C ATOM 950 C ALA A 66 -9.386 2.516 4.370 1.00 0.00 C ATOM 951 O ALA A 66 -8.997 1.589 5.078 1.00 0.00 O ATOM 952 CB ALA A 66 -7.872 4.326 5.199 1.00 0.00 C ATOM 0 H ALA A 66 -9.442 5.445 3.600 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.619 3.201 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.372 3.589 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.156 5.089 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.682 4.792 5.761 1.00 0.00 H new ATOM 958 N ASN A 67 -10.633 2.606 3.916 1.00 0.00 N ATOM 959 CA ASN A 67 -11.636 1.597 4.233 1.00 0.00 C ATOM 960 C ASN A 67 -11.615 0.468 3.207 1.00 0.00 C ATOM 961 O ASN A 67 -11.787 -0.702 3.551 1.00 0.00 O ATOM 962 CB ASN A 67 -13.028 2.229 4.284 1.00 0.00 C ATOM 963 CG ASN A 67 -13.695 2.270 2.923 1.00 0.00 C ATOM 964 OD1 ASN A 67 -13.072 2.631 1.924 1.00 0.00 O ATOM 965 ND2 ASN A 67 -14.969 1.898 2.877 1.00 0.00 N ATOM 0 H ASN A 67 -10.972 3.367 3.328 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.398 1.180 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.654 1.666 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.950 3.242 4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.470 1.904 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.446 1.606 3.730 1.00 0.00 H new ATOM 972 N TYR A 68 -11.403 0.827 1.946 1.00 0.00 N ATOM 973 CA TYR A 68 -11.362 -0.155 0.868 1.00 0.00 C ATOM 974 C TYR A 68 -10.119 -1.033 0.979 1.00 0.00 C ATOM 975 O TYR A 68 -9.914 -1.943 0.176 1.00 0.00 O ATOM 976 CB TYR A 68 -11.384 0.547 -0.491 1.00 0.00 C ATOM 977 CG TYR A 68 -12.778 0.787 -1.026 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.447 -0.198 -1.743 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.427 1.997 -0.813 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.720 0.017 -2.234 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.700 2.220 -1.299 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.343 1.227 -2.009 1.00 0.00 C ATOM 983 OH TYR A 68 -16.611 1.445 -2.496 1.00 0.00 O ATOM 0 H TYR A 68 -11.257 1.790 1.645 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.243 -0.790 0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.867 1.503 -0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.826 -0.053 -1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.963 -1.147 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.927 2.777 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.225 -0.758 -2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.190 3.167 -1.124 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.906 2.347 -2.250 1.00 0.00 H new ATOM 993 N VAL A 69 -9.292 -0.753 1.982 1.00 0.00 N ATOM 994 CA VAL A 69 -8.070 -1.517 2.200 1.00 0.00 C ATOM 995 C VAL A 69 -7.934 -1.929 3.662 1.00 0.00 C ATOM 996 O VAL A 69 -8.687 -1.468 4.519 1.00 0.00 O ATOM 997 CB VAL A 69 -6.824 -0.713 1.787 1.00 0.00 C ATOM 998 CG1 VAL A 69 -6.911 -0.307 0.324 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.658 0.508 2.679 1.00 0.00 C ATOM 0 H VAL A 69 -9.447 -0.003 2.656 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.139 -2.410 1.578 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.946 -1.347 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.021 0.260 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.978 -1.200 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.796 0.310 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.772 1.065 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.537 1.146 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.546 0.189 3.715 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.968 -2.800 3.938 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.734 -3.274 5.297 1.00 0.00 C ATOM 1011 C GLU A 70 -5.256 -3.167 5.664 1.00 0.00 C ATOM 1012 O GLU A 70 -4.407 -3.828 5.064 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.203 -4.723 5.444 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.852 -5.344 6.785 1.00 0.00 C ATOM 1015 CD GLU A 70 -6.964 -6.856 6.775 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -6.017 -7.517 6.299 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -7.997 -7.379 7.243 1.00 0.00 O ATOM 0 H GLU A 70 -6.336 -3.191 3.240 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.307 -2.644 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.284 -4.762 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.759 -5.322 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.835 -5.061 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.512 -4.940 7.552 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.957 -2.331 6.651 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.582 -2.136 7.099 1.00 0.00 C ATOM 1026 C LEU A 71 -2.899 -3.474 7.357 1.00 0.00 C ATOM 1027 O LEU A 71 -3.370 -4.278 8.163 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.554 -1.282 8.368 1.00 0.00 C ATOM 1029 CG LEU A 71 -4.021 0.166 8.214 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -4.388 0.755 9.567 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.945 1.004 7.539 1.00 0.00 C ATOM 0 H LEU A 71 -5.648 -1.777 7.157 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.038 -1.618 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.177 -1.765 9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.535 -1.275 8.754 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.910 0.176 7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.718 1.786 9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.192 0.170 10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.517 0.732 10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.294 2.032 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.038 0.987 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.731 0.594 6.552 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.785 -3.706 6.670 1.00 0.00 N ATOM 1044 CA ARG A 72 -1.036 -4.947 6.826 1.00 0.00 C ATOM 1045 C ARG A 72 -0.302 -4.975 8.164 1.00 0.00 C ATOM 1046 O ARG A 72 0.517 -4.102 8.451 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.035 -5.112 5.681 1.00 0.00 C ATOM 1048 CG ARG A 72 -0.677 -5.526 4.366 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.765 -7.039 4.242 1.00 0.00 C ATOM 1050 NE ARG A 72 -1.994 -7.565 4.829 1.00 0.00 N ATOM 1051 CZ ARG A 72 -2.179 -8.848 5.120 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -1.218 -9.730 4.881 1.00 0.00 N ATOM 1053 NH2 ARG A 72 -3.326 -9.251 5.652 1.00 0.00 N ATOM 0 H ARG A 72 -1.381 -3.051 6.000 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.745 -5.774 6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.497 -4.172 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.708 -5.858 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.676 -5.095 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.098 -5.125 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.716 -7.320 3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.095 -7.494 4.733 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.752 -6.912 5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.335 -9.424 4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.362 -10.715 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.067 -8.575 5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.466 -10.236 5.875 1.00 0.00 H new