USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 148:sc= 1.09 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.7) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.127 (180deg=-0.127) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -160:sc= -0.0136 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 141:sc= 1.34 USER MOD Single : A 76 ASN : amide:sc= -11.3! C(o=-11!,f=-19!) USER MOD Single : A 77 TYR OH : rot 13:sc= -0.224 USER MOD Single : A 83 SER OG : rot -48:sc= 0.547 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.374 -8.693 -15.388 1.00 0.00 N ATOM 324 CA ILE A 26 -2.571 -7.497 -15.578 1.00 0.00 C ATOM 325 C ILE A 26 -1.501 -7.427 -14.488 1.00 0.00 C ATOM 326 O ILE A 26 -1.774 -6.992 -13.371 1.00 0.00 O ATOM 327 CB ILE A 26 -3.464 -6.256 -15.644 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.161 -6.154 -17.002 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.671 -4.991 -15.309 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.236 -5.526 -18.047 1.00 0.00 C ATOM 0 HA ILE A 26 -2.050 -7.537 -16.534 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.244 -6.356 -14.889 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.468 -7.146 -17.332 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.067 -5.555 -16.906 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.329 -4.124 -15.363 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.262 -5.074 -14.302 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.856 -4.873 -16.023 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.756 -5.465 -19.003 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.950 -4.525 -17.725 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.343 -6.140 -18.158 1.00 0.00 H new ATOM 342 N ILE A 27 -0.302 -7.862 -14.851 1.00 0.00 N ATOM 343 CA ILE A 27 0.811 -7.855 -13.918 1.00 0.00 C ATOM 344 C ILE A 27 1.483 -6.481 -13.943 1.00 0.00 C ATOM 345 O ILE A 27 1.816 -5.968 -15.012 1.00 0.00 O ATOM 346 CB ILE A 27 1.767 -9.012 -14.214 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.994 -10.303 -14.494 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.784 -9.186 -13.084 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.485 -10.930 -13.194 1.00 0.00 C ATOM 0 H ILE A 27 -0.078 -8.221 -15.779 1.00 0.00 H new ATOM 0 HA ILE A 27 0.455 -8.019 -12.901 1.00 0.00 H new ATOM 0 HB ILE A 27 2.328 -8.770 -15.117 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.153 -10.091 -15.154 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.638 -11.011 -15.016 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.451 -10.015 -13.320 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.366 -8.271 -12.975 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.260 -9.396 -12.152 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.061 -11.846 -13.421 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.331 -11.162 -12.547 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.178 -10.229 -12.687 1.00 0.00 H new ATOM 361 N VAL A 28 1.663 -5.922 -12.755 1.00 0.00 N ATOM 362 CA VAL A 28 2.289 -4.617 -12.629 1.00 0.00 C ATOM 363 C VAL A 28 3.286 -4.646 -11.468 1.00 0.00 C ATOM 364 O VAL A 28 2.967 -5.128 -10.383 1.00 0.00 O ATOM 365 CB VAL A 28 1.218 -3.536 -12.471 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.338 -3.449 -13.719 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.372 -3.781 -11.220 1.00 0.00 C ATOM 0 H VAL A 28 1.386 -6.349 -11.871 1.00 0.00 H new ATOM 0 HA VAL A 28 2.848 -4.372 -13.532 1.00 0.00 H new ATOM 0 HB VAL A 28 1.724 -2.578 -12.351 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.415 -2.673 -13.580 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.956 -3.205 -14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.155 -4.407 -13.884 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.382 -2.998 -11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.119 -4.751 -11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.013 -3.769 -10.339 1.00 0.00 H new ATOM 377 N VAL A 29 4.472 -4.123 -11.738 1.00 0.00 N ATOM 378 CA VAL A 29 5.519 -4.082 -10.729 1.00 0.00 C ATOM 379 C VAL A 29 5.449 -2.749 -9.982 1.00 0.00 C ATOM 380 O VAL A 29 5.317 -1.692 -10.600 1.00 0.00 O ATOM 381 CB VAL A 29 6.881 -4.333 -11.378 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.430 -3.055 -12.015 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.872 -4.911 -10.366 1.00 0.00 C ATOM 0 H VAL A 29 4.732 -3.724 -12.640 1.00 0.00 H new ATOM 0 HA VAL A 29 5.373 -4.874 -9.995 1.00 0.00 H new ATOM 0 HB VAL A 29 6.744 -5.069 -12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.399 -3.262 -12.469 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.738 -2.704 -12.781 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.544 -2.287 -11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.832 -5.080 -10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.002 -4.209 -9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.489 -5.856 -9.981 1.00 0.00 H new ATOM 393 N ALA A 30 5.541 -2.839 -8.663 1.00 0.00 N ATOM 394 CA ALA A 30 5.491 -1.653 -7.826 1.00 0.00 C ATOM 395 C ALA A 30 6.681 -0.751 -8.155 1.00 0.00 C ATOM 396 O ALA A 30 7.828 -1.193 -8.118 1.00 0.00 O ATOM 397 CB ALA A 30 5.463 -2.069 -6.354 1.00 0.00 C ATOM 0 H ALA A 30 5.650 -3.716 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 30 4.583 -1.083 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.425 -1.179 -5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.583 -2.684 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.361 -2.641 -6.120 1.00 0.00 H new ATOM 403 N LEU A 31 6.367 0.498 -8.469 1.00 0.00 N ATOM 404 CA LEU A 31 7.396 1.466 -8.803 1.00 0.00 C ATOM 405 C LEU A 31 7.998 2.032 -7.515 1.00 0.00 C ATOM 406 O LEU A 31 9.082 2.612 -7.534 1.00 0.00 O ATOM 407 CB LEU A 31 6.839 2.538 -9.744 1.00 0.00 C ATOM 408 CG LEU A 31 6.483 2.070 -11.157 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.079 3.252 -12.040 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.625 1.258 -11.770 1.00 0.00 C ATOM 0 H LEU A 31 5.414 0.861 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 31 8.207 0.985 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.946 2.965 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.572 3.341 -9.822 1.00 0.00 H new ATOM 0 HG LEU A 31 5.619 1.409 -11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.831 2.892 -13.039 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.211 3.749 -11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.907 3.958 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.346 0.938 -12.774 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.523 1.874 -11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.822 0.382 -11.151 1.00 0.00 H new ATOM 422 N TYR A 32 7.267 1.843 -6.427 1.00 0.00 N ATOM 423 CA TYR A 32 7.714 2.327 -5.132 1.00 0.00 C ATOM 424 C TYR A 32 7.039 1.556 -3.995 1.00 0.00 C ATOM 425 O TYR A 32 5.883 1.154 -4.113 1.00 0.00 O ATOM 426 CB TYR A 32 7.288 3.794 -5.060 1.00 0.00 C ATOM 427 CG TYR A 32 7.368 4.532 -6.398 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.576 5.038 -6.835 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.233 4.693 -7.166 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.652 5.732 -8.095 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.309 5.388 -8.426 1.00 0.00 C ATOM 432 CZ TYR A 32 7.515 5.873 -8.828 1.00 0.00 C ATOM 433 OH TYR A 32 7.586 6.528 -10.018 1.00 0.00 O ATOM 0 H TYR A 32 6.368 1.361 -6.415 1.00 0.00 H new ATOM 0 HA TYR A 32 8.791 2.199 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.265 3.847 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.917 4.309 -4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.464 4.914 -6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.288 4.298 -6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.591 6.131 -8.450 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.429 5.521 -9.037 1.00 0.00 H new ATOM 0 HH TYR A 32 6.698 6.552 -10.432 1.00 0.00 H new ATOM 443 N ASP A 33 7.791 1.373 -2.920 1.00 0.00 N ATOM 444 CA ASP A 33 7.280 0.657 -1.763 1.00 0.00 C ATOM 445 C ASP A 33 5.994 1.330 -1.279 1.00 0.00 C ATOM 446 O ASP A 33 5.915 2.556 -1.222 1.00 0.00 O ATOM 447 CB ASP A 33 8.288 0.679 -0.613 1.00 0.00 C ATOM 448 CG ASP A 33 9.751 0.513 -1.030 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.299 1.492 -1.578 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.286 -0.591 -0.791 1.00 0.00 O ATOM 0 H ASP A 33 8.750 1.708 -2.825 1.00 0.00 H new ATOM 0 HA ASP A 33 7.094 -0.375 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.184 1.622 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.034 -0.116 0.088 1.00 0.00 H new ATOM 455 N TYR A 34 5.019 0.499 -0.943 1.00 0.00 N ATOM 456 CA TYR A 34 3.741 0.998 -0.466 1.00 0.00 C ATOM 457 C TYR A 34 3.238 0.172 0.720 1.00 0.00 C ATOM 458 O TYR A 34 3.162 -1.054 0.639 1.00 0.00 O ATOM 459 CB TYR A 34 2.765 0.842 -1.633 1.00 0.00 C ATOM 460 CG TYR A 34 1.380 1.437 -1.370 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.189 2.802 -1.457 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.323 0.611 -1.046 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.114 3.363 -1.210 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.979 1.172 -0.800 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.134 2.521 -0.893 1.00 0.00 C ATOM 466 OH TYR A 34 -2.365 3.051 -0.660 1.00 0.00 O ATOM 0 H TYR A 34 5.088 -0.517 -0.992 1.00 0.00 H new ATOM 0 HA TYR A 34 3.832 2.032 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.192 1.318 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.656 -0.218 -1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.016 3.448 -1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.473 -0.456 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.278 4.429 -1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.815 0.537 -0.547 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.054 2.415 -0.945 1.00 0.00 H new ATOM 476 N GLU A 35 2.907 0.875 1.792 1.00 0.00 N ATOM 477 CA GLU A 35 2.412 0.222 2.992 1.00 0.00 C ATOM 478 C GLU A 35 0.987 0.685 3.301 1.00 0.00 C ATOM 479 O GLU A 35 0.730 1.252 4.361 1.00 0.00 O ATOM 480 CB GLU A 35 3.341 0.481 4.180 1.00 0.00 C ATOM 481 CG GLU A 35 4.017 -0.812 4.640 1.00 0.00 C ATOM 482 CD GLU A 35 4.270 -0.792 6.149 1.00 0.00 C ATOM 483 OE1 GLU A 35 5.024 0.104 6.586 1.00 0.00 O ATOM 484 OE2 GLU A 35 3.704 -1.672 6.831 1.00 0.00 O ATOM 0 H GLU A 35 2.972 1.891 1.855 1.00 0.00 H new ATOM 0 HA GLU A 35 2.393 -0.853 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.099 1.212 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.772 0.911 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.389 -1.666 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.961 -0.941 4.111 1.00 0.00 H new ATOM 491 N ALA A 36 0.097 0.426 2.353 1.00 0.00 N ATOM 492 CA ALA A 36 -1.295 0.809 2.510 1.00 0.00 C ATOM 493 C ALA A 36 -1.370 2.175 3.195 1.00 0.00 C ATOM 494 O ALA A 36 -1.459 2.256 4.419 1.00 0.00 O ATOM 495 CB ALA A 36 -2.039 -0.276 3.292 1.00 0.00 C ATOM 0 H ALA A 36 0.314 -0.044 1.474 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.779 0.900 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.084 0.012 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.982 -1.220 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.582 -0.394 4.275 1.00 0.00 H new ATOM 569 N ASP A 41 -6.811 -0.693 0.832 1.00 0.00 N ATOM 570 CA ASP A 41 -5.646 -0.614 -0.031 1.00 0.00 C ATOM 571 C ASP A 41 -4.660 -1.721 0.346 1.00 0.00 C ATOM 572 O ASP A 41 -4.451 -1.994 1.528 1.00 0.00 O ATOM 573 CB ASP A 41 -4.931 0.730 0.130 1.00 0.00 C ATOM 574 CG ASP A 41 -5.399 1.830 -0.825 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.596 2.182 -0.742 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.550 2.293 -1.617 1.00 0.00 O ATOM 0 HA ASP A 41 -5.983 -0.723 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.068 1.077 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.862 0.575 -0.014 1.00 0.00 H new ATOM 581 N LEU A 42 -4.082 -2.329 -0.678 1.00 0.00 N ATOM 582 CA LEU A 42 -3.123 -3.401 -0.469 1.00 0.00 C ATOM 583 C LEU A 42 -1.720 -2.806 -0.336 1.00 0.00 C ATOM 584 O LEU A 42 -1.430 -1.757 -0.909 1.00 0.00 O ATOM 585 CB LEU A 42 -3.244 -4.452 -1.574 1.00 0.00 C ATOM 586 CG LEU A 42 -2.590 -5.805 -1.287 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.467 -6.652 -0.362 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.254 -6.538 -2.588 1.00 0.00 C ATOM 0 H LEU A 42 -4.259 -2.100 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.336 -3.926 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.302 -4.618 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.806 -4.045 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.650 -5.627 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.979 -7.609 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.613 -6.127 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.434 -6.824 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.790 -7.497 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.168 -6.705 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.564 -5.934 -3.178 1.00 0.00 H new ATOM 600 N SER A 43 -0.885 -3.502 0.423 1.00 0.00 N ATOM 601 CA SER A 43 0.481 -3.055 0.637 1.00 0.00 C ATOM 602 C SER A 43 1.451 -3.942 -0.145 1.00 0.00 C ATOM 603 O SER A 43 1.207 -5.136 -0.312 1.00 0.00 O ATOM 604 CB SER A 43 0.836 -3.064 2.126 1.00 0.00 C ATOM 605 OG SER A 43 0.741 -4.369 2.689 1.00 0.00 O ATOM 0 H SER A 43 -1.128 -4.372 0.897 1.00 0.00 H new ATOM 0 HA SER A 43 0.566 -2.030 0.277 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.849 -2.684 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.169 -2.388 2.662 1.00 0.00 H new ATOM 0 HG SER A 43 0.977 -4.333 3.640 1.00 0.00 H new ATOM 611 N PHE A 44 2.529 -3.324 -0.605 1.00 0.00 N ATOM 612 CA PHE A 44 3.536 -4.044 -1.366 1.00 0.00 C ATOM 613 C PHE A 44 4.904 -3.371 -1.237 1.00 0.00 C ATOM 614 O PHE A 44 5.071 -2.441 -0.450 1.00 0.00 O ATOM 615 CB PHE A 44 3.099 -4.009 -2.831 1.00 0.00 C ATOM 616 CG PHE A 44 2.600 -2.640 -3.299 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.483 -1.721 -3.774 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.274 -2.343 -3.241 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.020 -0.450 -4.208 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.812 -1.073 -3.676 1.00 0.00 C ATOM 621 CZ PHE A 44 1.694 -0.153 -4.150 1.00 0.00 C ATOM 0 H PHE A 44 2.727 -2.333 -0.465 1.00 0.00 H new ATOM 0 HA PHE A 44 3.626 -5.064 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.938 -4.312 -3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.308 -4.744 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.536 -1.957 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.573 -3.073 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.721 0.280 -4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.241 -0.837 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.342 0.813 -4.480 1.00 0.00 H new ATOM 631 N GLN A 45 5.848 -3.867 -2.024 1.00 0.00 N ATOM 632 CA GLN A 45 7.196 -3.325 -2.008 1.00 0.00 C ATOM 633 C GLN A 45 7.650 -2.988 -3.430 1.00 0.00 C ATOM 634 O GLN A 45 7.156 -3.567 -4.396 1.00 0.00 O ATOM 635 CB GLN A 45 8.170 -4.297 -1.339 1.00 0.00 C ATOM 636 CG GLN A 45 8.016 -4.265 0.183 1.00 0.00 C ATOM 637 CD GLN A 45 8.719 -5.461 0.830 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.354 -6.269 0.174 1.00 0.00 O ATOM 639 NE2 GLN A 45 8.569 -5.527 2.150 1.00 0.00 N ATOM 0 H GLN A 45 5.706 -4.638 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 45 7.190 -2.406 -1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.990 -5.308 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.193 -4.037 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.433 -3.337 0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.958 -4.275 0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.024 -4.816 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.999 -6.288 2.675 1.00 0.00 H new ATOM 648 N LYS A 46 8.584 -2.053 -3.513 1.00 0.00 N ATOM 649 CA LYS A 46 9.109 -1.632 -4.801 1.00 0.00 C ATOM 650 C LYS A 46 9.794 -2.819 -5.481 1.00 0.00 C ATOM 651 O LYS A 46 10.906 -3.194 -5.112 1.00 0.00 O ATOM 652 CB LYS A 46 10.017 -0.411 -4.636 1.00 0.00 C ATOM 653 CG LYS A 46 10.435 0.150 -5.997 1.00 0.00 C ATOM 654 CD LYS A 46 11.848 0.730 -5.940 1.00 0.00 C ATOM 655 CE LYS A 46 12.600 0.474 -7.248 1.00 0.00 C ATOM 656 NZ LYS A 46 13.960 -0.040 -6.972 1.00 0.00 N ATOM 0 H LYS A 46 8.991 -1.575 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 46 8.299 -1.313 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.497 0.359 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.903 -0.687 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.392 -0.639 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.733 0.924 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.797 1.802 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.395 0.284 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.050 -0.244 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.664 1.397 -7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.456 -0.208 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.488 0.658 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.893 -0.932 -6.441 1.00 0.00 H new ATOM 670 N GLY A 47 9.101 -3.378 -6.462 1.00 0.00 N ATOM 671 CA GLY A 47 9.628 -4.515 -7.197 1.00 0.00 C ATOM 672 C GLY A 47 8.698 -5.724 -7.076 1.00 0.00 C ATOM 673 O GLY A 47 8.955 -6.770 -7.670 1.00 0.00 O ATOM 0 H GLY A 47 8.179 -3.065 -6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.750 -4.249 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.616 -4.772 -6.816 1.00 0.00 H new ATOM 677 N ASP A 48 7.639 -5.541 -6.302 1.00 0.00 N ATOM 678 CA ASP A 48 6.670 -6.604 -6.096 1.00 0.00 C ATOM 679 C ASP A 48 5.667 -6.607 -7.251 1.00 0.00 C ATOM 680 O ASP A 48 5.296 -5.548 -7.758 1.00 0.00 O ATOM 681 CB ASP A 48 5.893 -6.396 -4.795 1.00 0.00 C ATOM 682 CG ASP A 48 5.852 -7.611 -3.865 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.297 -8.643 -4.303 1.00 0.00 O ATOM 684 OD2 ASP A 48 6.374 -7.479 -2.737 1.00 0.00 O ATOM 0 H ASP A 48 7.430 -4.672 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 48 7.212 -7.548 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.335 -5.559 -4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.870 -6.111 -5.042 1.00 0.00 H new ATOM 689 N GLN A 49 5.255 -7.805 -7.634 1.00 0.00 N ATOM 690 CA GLN A 49 4.302 -7.959 -8.720 1.00 0.00 C ATOM 691 C GLN A 49 2.920 -8.316 -8.167 1.00 0.00 C ATOM 692 O GLN A 49 2.810 -9.067 -7.199 1.00 0.00 O ATOM 693 CB GLN A 49 4.778 -9.010 -9.724 1.00 0.00 C ATOM 694 CG GLN A 49 6.158 -8.651 -10.280 1.00 0.00 C ATOM 695 CD GLN A 49 6.127 -8.563 -11.808 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.648 -9.410 -12.514 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.489 -7.494 -12.275 1.00 0.00 N ATOM 0 H GLN A 49 5.564 -8.680 -7.211 1.00 0.00 H new ATOM 0 HA GLN A 49 4.227 -7.008 -9.248 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.819 -9.987 -9.242 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.061 -9.088 -10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.485 -7.698 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.886 -9.401 -9.970 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.075 -6.824 -11.627 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.413 -7.344 -13.281 1.00 0.00 H new ATOM 706 N MET A 50 1.901 -7.759 -8.805 1.00 0.00 N ATOM 707 CA MET A 50 0.532 -8.010 -8.390 1.00 0.00 C ATOM 708 C MET A 50 -0.349 -8.366 -9.589 1.00 0.00 C ATOM 709 O MET A 50 -0.073 -7.948 -10.713 1.00 0.00 O ATOM 710 CB MET A 50 -0.028 -6.765 -7.698 1.00 0.00 C ATOM 711 CG MET A 50 0.822 -6.384 -6.484 1.00 0.00 C ATOM 712 SD MET A 50 0.396 -4.740 -5.932 1.00 0.00 S ATOM 713 CE MET A 50 1.786 -3.826 -6.578 1.00 0.00 C ATOM 0 H MET A 50 1.996 -7.135 -9.606 1.00 0.00 H new ATOM 0 HA MET A 50 0.531 -8.853 -7.699 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.055 -5.934 -8.403 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.055 -6.950 -7.384 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.661 -7.100 -5.678 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.880 -6.427 -6.743 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.679 -2.772 -6.322 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.709 -4.213 -6.146 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.820 -3.934 -7.662 1.00 0.00 H new ATOM 723 N VAL A 51 -1.391 -9.136 -9.310 1.00 0.00 N ATOM 724 CA VAL A 51 -2.312 -9.554 -10.352 1.00 0.00 C ATOM 725 C VAL A 51 -3.537 -8.635 -10.342 1.00 0.00 C ATOM 726 O VAL A 51 -4.485 -8.866 -9.593 1.00 0.00 O ATOM 727 CB VAL A 51 -2.672 -11.029 -10.172 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.791 -11.443 -11.131 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.441 -11.920 -10.350 1.00 0.00 C ATOM 0 H VAL A 51 -1.617 -9.481 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.845 -9.465 -11.333 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.038 -11.161 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.027 -12.497 -10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.679 -10.841 -10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.465 -11.287 -12.159 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.725 -12.964 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.032 -11.780 -11.351 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.688 -11.652 -9.609 1.00 0.00 H new ATOM 739 N VAL A 52 -3.476 -7.612 -11.182 1.00 0.00 N ATOM 740 CA VAL A 52 -4.567 -6.658 -11.279 1.00 0.00 C ATOM 741 C VAL A 52 -5.836 -7.384 -11.728 1.00 0.00 C ATOM 742 O VAL A 52 -5.892 -7.918 -12.836 1.00 0.00 O ATOM 743 CB VAL A 52 -4.175 -5.508 -12.211 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.414 -4.773 -12.724 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.212 -4.543 -11.515 1.00 0.00 C ATOM 0 H VAL A 52 -2.688 -7.423 -11.801 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.774 -6.214 -10.305 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.658 -5.934 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.108 -3.961 -13.384 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.048 -5.468 -13.274 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.970 -4.365 -11.880 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.949 -3.735 -12.198 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.691 -4.127 -10.629 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.309 -5.079 -11.222 1.00 0.00 H new ATOM 755 N LEU A 53 -6.824 -7.384 -10.846 1.00 0.00 N ATOM 756 CA LEU A 53 -8.088 -8.037 -11.137 1.00 0.00 C ATOM 757 C LEU A 53 -9.097 -6.992 -11.620 1.00 0.00 C ATOM 758 O LEU A 53 -9.702 -7.151 -12.679 1.00 0.00 O ATOM 759 CB LEU A 53 -8.568 -8.841 -9.927 1.00 0.00 C ATOM 760 CG LEU A 53 -7.498 -9.654 -9.196 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.019 -10.162 -7.850 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.978 -10.792 -10.075 1.00 0.00 C ATOM 0 H LEU A 53 -6.774 -6.941 -9.928 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.966 -8.761 -11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.023 -8.152 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.352 -9.523 -10.256 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.654 -8.997 -8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.239 -10.737 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.301 -9.314 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.889 -10.797 -8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.219 -11.354 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.802 -11.455 -10.337 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.542 -10.379 -10.985 1.00 0.00 H new ATOM 774 N GLU A 54 -9.248 -5.947 -10.819 1.00 0.00 N ATOM 775 CA GLU A 54 -10.172 -4.877 -11.152 1.00 0.00 C ATOM 776 C GLU A 54 -9.423 -3.550 -11.283 1.00 0.00 C ATOM 777 O GLU A 54 -8.504 -3.272 -10.515 1.00 0.00 O ATOM 778 CB GLU A 54 -11.290 -4.775 -10.112 1.00 0.00 C ATOM 779 CG GLU A 54 -12.505 -5.606 -10.529 1.00 0.00 C ATOM 780 CD GLU A 54 -12.981 -5.215 -11.929 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.408 -4.050 -12.080 1.00 0.00 O ATOM 782 OE2 GLU A 54 -12.909 -6.091 -12.818 1.00 0.00 O ATOM 0 H GLU A 54 -8.746 -5.819 -9.940 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.633 -5.108 -12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.924 -5.119 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.583 -3.732 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.249 -6.665 -10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.313 -5.460 -9.812 1.00 0.00 H new ATOM 822 N GLU A 58 -7.754 4.931 -10.907 1.00 0.00 N ATOM 823 CA GLU A 58 -6.309 4.915 -10.759 1.00 0.00 C ATOM 824 C GLU A 58 -5.872 3.700 -9.939 1.00 0.00 C ATOM 825 O GLU A 58 -4.907 3.024 -10.290 1.00 0.00 O ATOM 826 CB GLU A 58 -5.809 6.215 -10.124 1.00 0.00 C ATOM 827 CG GLU A 58 -6.104 7.415 -11.026 1.00 0.00 C ATOM 828 CD GLU A 58 -5.093 7.502 -12.172 1.00 0.00 C ATOM 829 OE1 GLU A 58 -4.598 6.427 -12.574 1.00 0.00 O ATOM 830 OE2 GLU A 58 -4.839 8.641 -12.618 1.00 0.00 O ATOM 0 HA GLU A 58 -5.862 4.838 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.287 6.358 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.736 6.146 -9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.112 7.330 -11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.073 8.332 -10.438 1.00 0.00 H new ATOM 837 N TRP A 59 -6.604 3.460 -8.861 1.00 0.00 N ATOM 838 CA TRP A 59 -6.305 2.339 -7.988 1.00 0.00 C ATOM 839 C TRP A 59 -6.975 1.093 -8.571 1.00 0.00 C ATOM 840 O TRP A 59 -8.133 1.142 -8.981 1.00 0.00 O ATOM 841 CB TRP A 59 -6.737 2.633 -6.550 1.00 0.00 C ATOM 842 CG TRP A 59 -6.218 3.964 -6.003 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.636 5.200 -6.307 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.160 4.144 -5.038 1.00 0.00 C ATOM 845 NE1 TRP A 59 -5.929 6.159 -5.613 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.002 5.497 -4.817 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.362 3.195 -4.375 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.054 6.023 -3.931 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.419 3.737 -3.493 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.248 5.095 -3.259 1.00 0.00 C ATOM 0 H TRP A 59 -7.404 4.023 -8.573 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.230 2.165 -7.939 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.826 2.632 -6.502 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.389 1.826 -5.905 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.428 5.418 -7.008 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.062 7.169 -5.673 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.468 2.132 -4.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.950 7.086 -3.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.780 3.051 -2.957 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.496 5.434 -2.562 1.00 0.00 H new ATOM 861 N TRP A 60 -6.217 0.006 -8.589 1.00 0.00 N ATOM 862 CA TRP A 60 -6.724 -1.250 -9.115 1.00 0.00 C ATOM 863 C TRP A 60 -6.643 -2.295 -8.001 1.00 0.00 C ATOM 864 O TRP A 60 -5.802 -2.195 -7.110 1.00 0.00 O ATOM 865 CB TRP A 60 -5.964 -1.661 -10.377 1.00 0.00 C ATOM 866 CG TRP A 60 -5.711 -0.512 -11.355 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.468 0.574 -11.564 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.589 -0.376 -12.252 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.918 1.396 -12.527 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.739 0.800 -12.957 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.483 -1.219 -12.458 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.821 1.240 -13.919 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.574 -0.766 -13.423 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.711 0.415 -14.142 1.00 0.00 C ATOM 0 H TRP A 60 -5.256 -0.031 -8.248 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.765 -1.149 -9.422 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.007 -2.095 -10.087 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.526 -2.442 -10.889 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.392 0.780 -11.044 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.306 2.278 -12.861 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.345 -2.143 -11.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.961 2.165 -14.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.706 -1.377 -13.622 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.964 0.696 -14.870 1.00 0.00 H new ATOM 885 N LYS A 61 -7.529 -3.277 -8.089 1.00 0.00 N ATOM 886 CA LYS A 61 -7.568 -4.340 -7.099 1.00 0.00 C ATOM 887 C LYS A 61 -6.756 -5.533 -7.607 1.00 0.00 C ATOM 888 O LYS A 61 -7.253 -6.338 -8.393 1.00 0.00 O ATOM 889 CB LYS A 61 -9.015 -4.689 -6.745 1.00 0.00 C ATOM 890 CG LYS A 61 -9.071 -5.827 -5.725 1.00 0.00 C ATOM 891 CD LYS A 61 -10.093 -6.887 -6.141 1.00 0.00 C ATOM 892 CE LYS A 61 -10.841 -7.435 -4.924 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.194 -7.893 -5.311 1.00 0.00 N ATOM 0 H LYS A 61 -8.225 -3.359 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.106 -4.011 -6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.517 -3.809 -6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.554 -4.978 -7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.086 -6.284 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.333 -5.429 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.804 -6.455 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.587 -7.702 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.281 -8.262 -4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.917 -6.663 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.688 -8.262 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.731 -7.095 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.115 -8.645 -6.025 1.00 0.00 H new ATOM 907 N ALA A 62 -5.520 -5.610 -7.136 1.00 0.00 N ATOM 908 CA ALA A 62 -4.633 -6.691 -7.532 1.00 0.00 C ATOM 909 C ALA A 62 -4.269 -7.522 -6.301 1.00 0.00 C ATOM 910 O ALA A 62 -4.394 -7.052 -5.170 1.00 0.00 O ATOM 911 CB ALA A 62 -3.401 -6.111 -8.229 1.00 0.00 C ATOM 0 H ALA A 62 -5.112 -4.941 -6.483 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.128 -7.353 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.736 -6.922 -8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.712 -5.554 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.877 -5.443 -7.545 1.00 0.00 H new ATOM 917 N ARG A 63 -3.826 -8.743 -6.560 1.00 0.00 N ATOM 918 CA ARG A 63 -3.442 -9.645 -5.487 1.00 0.00 C ATOM 919 C ARG A 63 -1.923 -9.828 -5.465 1.00 0.00 C ATOM 920 O ARG A 63 -1.329 -10.239 -6.460 1.00 0.00 O ATOM 921 CB ARG A 63 -4.111 -11.012 -5.652 1.00 0.00 C ATOM 922 CG ARG A 63 -3.335 -12.095 -4.900 1.00 0.00 C ATOM 923 CD ARG A 63 -2.530 -12.965 -5.869 1.00 0.00 C ATOM 924 NE ARG A 63 -3.440 -13.850 -6.628 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.063 -15.002 -7.202 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.791 -15.413 -7.105 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.957 -15.741 -7.872 1.00 0.00 N ATOM 0 H ARG A 63 -3.724 -9.130 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.771 -9.202 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.134 -10.968 -5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.168 -11.268 -6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.663 -11.631 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.028 -12.719 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.967 -12.333 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.804 -13.563 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.415 -13.566 -6.721 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.111 -14.850 -6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.503 -16.289 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.925 -15.428 -7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.670 -16.617 -8.308 1.00 0.00 H new ATOM 941 N SER A 64 -1.339 -9.513 -4.318 1.00 0.00 N ATOM 942 CA SER A 64 0.099 -9.637 -4.152 1.00 0.00 C ATOM 943 C SER A 64 0.554 -11.041 -4.556 1.00 0.00 C ATOM 944 O SER A 64 -0.038 -12.034 -4.135 1.00 0.00 O ATOM 945 CB SER A 64 0.515 -9.338 -2.711 1.00 0.00 C ATOM 946 OG SER A 64 1.577 -8.390 -2.647 1.00 0.00 O ATOM 0 H SER A 64 -1.836 -9.172 -3.495 1.00 0.00 H new ATOM 0 HA SER A 64 0.582 -8.906 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.344 -8.958 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.825 -10.263 -2.224 1.00 0.00 H new ATOM 0 HG SER A 64 1.812 -8.225 -1.710 1.00 0.00 H new ATOM 952 N LEU A 65 1.600 -11.079 -5.368 1.00 0.00 N ATOM 953 CA LEU A 65 2.140 -12.345 -5.833 1.00 0.00 C ATOM 954 C LEU A 65 3.220 -12.823 -4.859 1.00 0.00 C ATOM 955 O LEU A 65 4.109 -13.585 -5.237 1.00 0.00 O ATOM 956 CB LEU A 65 2.627 -12.223 -7.279 1.00 0.00 C ATOM 957 CG LEU A 65 1.571 -12.445 -8.363 1.00 0.00 C ATOM 958 CD1 LEU A 65 2.107 -12.047 -9.739 1.00 0.00 C ATOM 959 CD2 LEU A 65 1.060 -13.887 -8.343 1.00 0.00 C ATOM 0 H LEU A 65 2.088 -10.254 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 65 1.362 -13.108 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.055 -11.230 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.433 -12.941 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 65 0.720 -11.798 -8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.337 -12.215 -10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.383 -10.993 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.984 -12.650 -9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.310 -14.018 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.891 -14.570 -8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.614 -14.102 -7.372 1.00 0.00 H new ATOM 971 N ALA A 66 3.106 -12.356 -3.625 1.00 0.00 N ATOM 972 CA ALA A 66 4.060 -12.726 -2.593 1.00 0.00 C ATOM 973 C ALA A 66 3.309 -13.294 -1.388 1.00 0.00 C ATOM 974 O ALA A 66 3.733 -14.288 -0.800 1.00 0.00 O ATOM 975 CB ALA A 66 4.914 -11.510 -2.228 1.00 0.00 C ATOM 0 H ALA A 66 2.367 -11.724 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 66 4.735 -13.502 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.630 -11.787 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.451 -11.164 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.271 -10.711 -1.858 1.00 0.00 H new ATOM 981 N THR A 67 2.205 -12.640 -1.057 1.00 0.00 N ATOM 982 CA THR A 67 1.390 -13.068 0.067 1.00 0.00 C ATOM 983 C THR A 67 0.039 -13.593 -0.422 1.00 0.00 C ATOM 984 O THR A 67 -0.682 -14.253 0.324 1.00 0.00 O ATOM 985 CB THR A 67 1.270 -11.892 1.039 1.00 0.00 C ATOM 986 OG1 THR A 67 0.763 -10.829 0.237 1.00 0.00 O ATOM 987 CG2 THR A 67 2.632 -11.382 1.514 1.00 0.00 C ATOM 0 H THR A 67 1.856 -11.817 -1.548 1.00 0.00 H new ATOM 0 HA THR A 67 1.853 -13.900 0.597 1.00 0.00 H new ATOM 0 HB THR A 67 0.675 -12.194 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.948 -9.972 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.489 -10.548 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.164 -12.185 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.215 -11.049 0.656 1.00 0.00 H new ATOM 995 N ARG A 68 -0.263 -13.279 -1.673 1.00 0.00 N ATOM 996 CA ARG A 68 -1.515 -13.711 -2.272 1.00 0.00 C ATOM 997 C ARG A 68 -2.685 -12.920 -1.683 1.00 0.00 C ATOM 998 O ARG A 68 -3.821 -13.390 -1.687 1.00 0.00 O ATOM 999 CB ARG A 68 -1.750 -15.205 -2.040 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.504 -16.018 -2.398 1.00 0.00 C ATOM 1001 CD ARG A 68 -0.189 -17.046 -1.310 1.00 0.00 C ATOM 1002 NE ARG A 68 0.364 -18.276 -1.920 1.00 0.00 N ATOM 1003 CZ ARG A 68 0.467 -19.450 -1.283 1.00 0.00 C ATOM 1004 NH1 ARG A 68 0.055 -19.561 -0.012 1.00 0.00 N ATOM 1005 NH2 ARG A 68 0.982 -20.513 -1.915 1.00 0.00 N ATOM 0 H ARG A 68 0.337 -12.731 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.451 -13.527 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.014 -15.378 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.594 -15.542 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.658 -16.526 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.346 -15.349 -2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.526 -16.629 -0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.093 -17.283 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 68 0.687 -18.227 -2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.337 -18.752 0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.133 -20.455 0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.296 -20.429 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.060 -21.407 -1.429 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.366 -11.732 -1.191 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.377 -10.872 -0.599 1.00 0.00 C ATOM 1021 C LYS A 69 -4.236 -10.263 -1.710 1.00 0.00 C ATOM 1022 O LYS A 69 -4.016 -10.536 -2.890 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.727 -9.830 0.314 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.165 -10.484 1.578 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.334 -9.488 2.389 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.333 -10.213 3.290 1.00 0.00 C ATOM 1027 NZ LYS A 69 -0.375 -9.660 4.662 1.00 0.00 N ATOM 0 H LYS A 69 -1.422 -11.345 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.043 -11.452 0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.927 -9.320 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.461 -9.072 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.983 -10.863 2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.548 -11.340 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.802 -8.818 1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.994 -8.869 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.562 -11.278 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.672 -10.112 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.311 -10.164 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.135 -8.648 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.330 -9.779 5.055 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.197 -9.452 -1.294 1.00 0.00 N ATOM 1042 CA GLU A 70 -6.090 -8.803 -2.238 1.00 0.00 C ATOM 1043 C GLU A 70 -6.539 -7.444 -1.698 1.00 0.00 C ATOM 1044 O GLU A 70 -7.057 -7.354 -0.586 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.295 -9.693 -2.554 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.969 -10.679 -3.677 1.00 0.00 C ATOM 1047 CD GLU A 70 -8.092 -11.702 -3.851 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.599 -12.172 -2.809 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.421 -11.991 -5.023 1.00 0.00 O ATOM 0 H GLU A 70 -5.377 -9.229 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.546 -8.640 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.592 -10.240 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.143 -9.073 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.819 -10.136 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.035 -11.194 -3.454 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.322 -6.419 -2.510 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.698 -5.069 -2.127 1.00 0.00 C ATOM 1058 C GLY A 71 -6.366 -4.072 -3.238 1.00 0.00 C ATOM 1059 O GLY A 71 -5.642 -4.401 -4.177 1.00 0.00 O ATOM 0 H GLY A 71 -5.891 -6.497 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.765 -5.033 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.175 -4.788 -1.213 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.910 -2.872 -3.096 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.681 -1.824 -4.075 1.00 0.00 C ATOM 1065 C TYR A 72 -5.261 -1.266 -3.958 1.00 0.00 C ATOM 1066 O TYR A 72 -4.784 -1.000 -2.855 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.681 -0.714 -3.748 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.135 -1.076 -4.057 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.450 -1.717 -5.238 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.132 -0.761 -3.157 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.818 -2.059 -5.529 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.500 -1.103 -3.447 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.776 -1.734 -4.620 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.068 -2.056 -4.895 1.00 0.00 O ATOM 0 H TYR A 72 -7.510 -2.602 -2.316 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.803 -2.211 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.597 -0.463 -2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.412 0.180 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.670 -1.962 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.886 -0.257 -2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.078 -2.562 -6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.289 -0.864 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.642 -1.764 -4.156 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.625 -1.104 -5.109 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.270 -0.581 -5.149 1.00 0.00 C ATOM 1086 C ILE A 73 -3.208 0.589 -6.134 1.00 0.00 C ATOM 1087 O ILE A 73 -3.987 0.648 -7.083 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.274 -1.699 -5.461 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.680 -2.459 -6.725 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.106 -2.634 -4.261 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.556 -2.435 -7.763 1.00 0.00 C ATOM 0 H ILE A 73 -5.023 -1.326 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.983 -0.192 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.302 -1.245 -5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.924 -3.491 -6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.580 -2.014 -7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.393 -3.420 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.738 -2.066 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.068 -3.082 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.870 -2.982 -8.652 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.332 -1.403 -8.033 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.665 -2.903 -7.345 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.250 1.516 -5.864 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.076 2.681 -6.715 1.00 0.00 C ATOM 1105 C PRO A 74 -1.391 2.304 -8.029 1.00 0.00 C ATOM 1106 O PRO A 74 -0.368 1.620 -8.026 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.265 3.659 -5.881 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.619 2.833 -4.780 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.310 1.479 -4.748 1.00 0.00 C ATOM 0 HA PRO A 74 -3.024 3.126 -7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.510 4.158 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.903 4.437 -5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.448 2.713 -4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.718 3.335 -3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.593 0.666 -4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.826 1.320 -3.801 1.00 0.00 H new ATOM 1117 N SER A 75 -1.981 2.765 -9.122 1.00 0.00 N ATOM 1118 CA SER A 75 -1.441 2.484 -10.441 1.00 0.00 C ATOM 1119 C SER A 75 -0.201 3.344 -10.692 1.00 0.00 C ATOM 1120 O SER A 75 0.716 2.927 -11.399 1.00 0.00 O ATOM 1121 CB SER A 75 -2.487 2.731 -11.529 1.00 0.00 C ATOM 1122 OG SER A 75 -1.893 2.885 -12.815 1.00 0.00 O ATOM 0 H SER A 75 -2.829 3.332 -9.121 1.00 0.00 H new ATOM 0 HA SER A 75 -1.160 1.432 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.190 1.898 -11.552 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.060 3.626 -11.285 1.00 0.00 H new ATOM 0 HG SER A 75 -2.449 2.439 -13.488 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.212 4.529 -10.099 1.00 0.00 N ATOM 1129 CA ASN A 76 0.901 5.452 -10.250 1.00 0.00 C ATOM 1130 C ASN A 76 2.118 4.903 -9.501 1.00 0.00 C ATOM 1131 O ASN A 76 3.208 5.465 -9.586 1.00 0.00 O ATOM 1132 CB ASN A 76 0.563 6.823 -9.662 1.00 0.00 C ATOM 1133 CG ASN A 76 0.631 6.797 -8.135 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.560 5.756 -7.502 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.772 7.997 -7.579 1.00 0.00 N ATOM 0 H ASN A 76 -0.974 4.871 -9.513 1.00 0.00 H new ATOM 0 HA ASN A 76 1.110 5.558 -11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.258 7.569 -10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.436 7.123 -9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.827 8.086 -6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.825 8.829 -8.167 1.00 0.00 H new ATOM 1142 N TYR A 77 1.889 3.813 -8.784 1.00 0.00 N ATOM 1143 CA TYR A 77 2.952 3.182 -8.021 1.00 0.00 C ATOM 1144 C TYR A 77 3.289 1.801 -8.586 1.00 0.00 C ATOM 1145 O TYR A 77 4.000 1.023 -7.952 1.00 0.00 O ATOM 1146 CB TYR A 77 2.412 3.020 -6.599 1.00 0.00 C ATOM 1147 CG TYR A 77 3.052 3.964 -5.578 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.041 5.327 -5.799 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.637 3.454 -4.438 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.644 6.215 -4.838 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.238 4.342 -3.478 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.212 5.679 -3.725 1.00 0.00 C ATOM 1153 OH TYR A 77 4.781 6.518 -2.818 1.00 0.00 O ATOM 0 H TYR A 77 0.982 3.351 -8.715 1.00 0.00 H new ATOM 0 HA TYR A 77 3.859 3.785 -8.058 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.335 3.189 -6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.571 1.991 -6.276 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.581 5.727 -6.691 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.644 2.388 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.645 7.283 -4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.699 3.955 -2.581 1.00 0.00 H new ATOM 0 HH TYR A 77 4.514 7.440 -3.013 1.00 0.00 H new ATOM 1163 N VAL A 78 2.762 1.538 -9.772 1.00 0.00 N ATOM 1164 CA VAL A 78 2.997 0.264 -10.430 1.00 0.00 C ATOM 1165 C VAL A 78 3.272 0.505 -11.916 1.00 0.00 C ATOM 1166 O VAL A 78 3.021 1.595 -12.428 1.00 0.00 O ATOM 1167 CB VAL A 78 1.816 -0.677 -10.186 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.441 -0.711 -8.703 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.615 -0.285 -11.048 1.00 0.00 C ATOM 0 H VAL A 78 2.173 2.186 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 78 3.877 -0.225 -10.012 1.00 0.00 H new ATOM 0 HB VAL A 78 2.122 -1.682 -10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.599 -1.387 -8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.293 -1.061 -8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.164 0.291 -8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.211 -0.970 -10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.308 0.732 -10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.891 -0.337 -12.101 1.00 0.00 H new ATOM 1179 N ALA A 79 3.782 -0.529 -12.567 1.00 0.00 N ATOM 1180 CA ALA A 79 4.093 -0.444 -13.983 1.00 0.00 C ATOM 1181 C ALA A 79 3.992 -1.837 -14.609 1.00 0.00 C ATOM 1182 O ALA A 79 4.781 -2.723 -14.289 1.00 0.00 O ATOM 1183 CB ALA A 79 5.480 0.177 -14.165 1.00 0.00 C ATOM 0 H ALA A 79 3.988 -1.432 -12.139 1.00 0.00 H new ATOM 0 HA ALA A 79 3.377 0.200 -14.494 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.713 0.241 -15.228 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.491 1.177 -13.730 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.225 -0.444 -13.667 1.00 0.00 H new ATOM 1189 N ARG A 80 3.014 -1.985 -15.490 1.00 0.00 N ATOM 1190 CA ARG A 80 2.798 -3.255 -16.163 1.00 0.00 C ATOM 1191 C ARG A 80 4.138 -3.894 -16.530 1.00 0.00 C ATOM 1192 O ARG A 80 5.069 -3.202 -16.940 1.00 0.00 O ATOM 1193 CB ARG A 80 1.963 -3.071 -17.431 1.00 0.00 C ATOM 1194 CG ARG A 80 0.495 -3.414 -17.177 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.114 -4.143 -18.376 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.224 -3.344 -18.944 1.00 0.00 N ATOM 1197 CZ ARG A 80 -1.946 -3.714 -20.010 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.683 -4.871 -20.630 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -2.934 -2.926 -20.455 1.00 0.00 N ATOM 0 H ARG A 80 2.362 -1.246 -15.754 1.00 0.00 H new ATOM 0 HA ARG A 80 2.256 -3.907 -15.478 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.044 -2.041 -17.778 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.356 -3.706 -18.225 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.413 -4.038 -16.287 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.066 -2.501 -16.979 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.649 -4.312 -19.136 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.480 -5.123 -18.069 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.453 -2.457 -18.496 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.932 -5.472 -20.291 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.234 -5.151 -21.442 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.136 -2.045 -19.982 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.484 -3.207 -21.267 1.00 0.00 H new ATOM 1213 N VAL A 81 4.194 -5.208 -16.370 1.00 0.00 N ATOM 1214 CA VAL A 81 5.405 -5.949 -16.680 1.00 0.00 C ATOM 1215 C VAL A 81 5.702 -5.831 -18.176 1.00 0.00 C ATOM 1216 O VAL A 81 6.862 -5.786 -18.582 1.00 0.00 O ATOM 1217 CB VAL A 81 5.267 -7.399 -16.211 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.840 -8.310 -17.363 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.566 -7.894 -15.571 1.00 0.00 C ATOM 0 H VAL A 81 3.420 -5.779 -16.030 1.00 0.00 H new ATOM 0 HA VAL A 81 6.256 -5.528 -16.145 1.00 0.00 H new ATOM 0 HB VAL A 81 4.486 -7.433 -15.452 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.749 -9.335 -17.002 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.879 -7.976 -17.753 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.587 -8.269 -18.155 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.441 -8.927 -15.246 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.375 -7.838 -16.299 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.809 -7.270 -14.711 1.00 0.00 H new ATOM 1229 N ASP A 82 4.632 -5.785 -18.957 1.00 0.00 N ATOM 1230 CA ASP A 82 4.762 -5.673 -20.400 1.00 0.00 C ATOM 1231 C ASP A 82 4.863 -4.196 -20.786 1.00 0.00 C ATOM 1232 O ASP A 82 4.777 -3.852 -21.964 1.00 0.00 O ATOM 1233 CB ASP A 82 3.544 -6.266 -21.111 1.00 0.00 C ATOM 1234 CG ASP A 82 3.847 -6.975 -22.432 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.127 -8.192 -22.372 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.793 -6.285 -23.472 1.00 0.00 O ATOM 0 H ASP A 82 3.671 -5.823 -18.617 1.00 0.00 H new ATOM 0 HA ASP A 82 5.656 -6.219 -20.701 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.059 -6.974 -20.439 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.828 -5.466 -21.301 1.00 0.00 H new ATOM 1241 N SER A 83 5.043 -3.364 -19.771 1.00 0.00 N ATOM 1242 CA SER A 83 5.156 -1.931 -19.990 1.00 0.00 C ATOM 1243 C SER A 83 6.532 -1.440 -19.535 1.00 0.00 C ATOM 1244 O SER A 83 6.680 -0.288 -19.128 1.00 0.00 O ATOM 1245 CB SER A 83 4.051 -1.172 -19.253 1.00 0.00 C ATOM 1246 OG SER A 83 4.032 0.210 -19.595 1.00 0.00 O ATOM 0 H SER A 83 5.113 -3.654 -18.796 1.00 0.00 H new ATOM 0 HA SER A 83 5.042 -1.738 -21.057 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.085 -1.617 -19.491 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.194 -1.277 -18.178 1.00 0.00 H new ATOM 0 HG SER A 83 4.939 0.575 -19.532 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.513 11.076 -5.226 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.789 11.443 -6.430 1.00 0.00 C ATOM 1380 C PRO B 124 -4.401 10.798 -6.454 1.00 0.00 C ATOM 1381 O PRO B 124 -3.393 11.490 -6.587 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.736 12.963 -6.410 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.022 13.370 -4.973 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.577 12.157 -4.246 1.00 0.00 C ATOM 0 HA PRO B 124 -6.275 11.086 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.759 13.324 -6.731 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.473 13.389 -7.091 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.112 13.722 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.737 14.192 -4.944 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.988 11.923 -3.359 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.600 12.329 -3.913 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.394 9.480 -6.321 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.148 8.734 -6.326 1.00 0.00 C ATOM 1394 C LEU B 125 -2.269 9.210 -5.167 1.00 0.00 C ATOM 1395 O LEU B 125 -2.392 10.349 -4.718 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.469 8.832 -7.693 1.00 0.00 C ATOM 1397 CG LEU B 125 -2.973 7.860 -8.763 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.460 8.258 -10.149 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.608 6.417 -8.408 1.00 0.00 C ATOM 0 H LEU B 125 -5.232 8.910 -6.209 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.339 7.673 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.593 9.849 -8.066 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.400 8.670 -7.558 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.061 7.918 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -2.832 7.552 -10.891 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -2.812 9.260 -10.393 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.370 8.246 -10.151 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -2.978 5.747 -9.184 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.525 6.324 -8.333 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.062 6.151 -7.453 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.378 8.292 -4.705 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.480 8.607 -3.609 1.00 0.00 C ATOM 1413 C PRO B 126 0.654 9.523 -4.075 1.00 0.00 C ATOM 1414 O PRO B 126 0.876 9.681 -5.274 1.00 0.00 O ATOM 1415 CB PRO B 126 0.014 7.260 -3.105 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.259 6.270 -4.226 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.205 6.935 -5.214 1.00 0.00 C ATOM 0 HA PRO B 126 -0.971 9.161 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.077 7.298 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.506 6.970 -2.192 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.670 5.986 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.702 5.356 -3.829 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.787 6.940 -6.221 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.157 6.407 -5.267 1.00 0.00 H new ATOM 1425 N PRO B 127 1.360 10.118 -3.076 1.00 0.00 N ATOM 1426 CA PRO B 127 2.465 11.014 -3.372 1.00 0.00 C ATOM 1427 C PRO B 127 3.699 10.231 -3.824 1.00 0.00 C ATOM 1428 O PRO B 127 4.321 9.529 -3.027 1.00 0.00 O ATOM 1429 CB PRO B 127 2.694 11.793 -2.087 1.00 0.00 C ATOM 1430 CG PRO B 127 2.025 10.987 -0.985 1.00 0.00 C ATOM 1431 CD PRO B 127 1.125 9.954 -1.644 1.00 0.00 C ATOM 0 HA PRO B 127 2.249 11.690 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.759 11.916 -1.889 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.265 12.793 -2.155 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.774 10.499 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.444 11.640 -0.334 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.373 8.945 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.078 10.123 -1.393 1.00 0.00 H new ATOM 1439 N LEU B 128 4.018 10.377 -5.102 1.00 0.00 N ATOM 1440 CA LEU B 128 5.167 9.693 -5.670 1.00 0.00 C ATOM 1441 C LEU B 128 6.399 9.971 -4.806 1.00 0.00 C ATOM 1442 O LEU B 128 6.661 11.117 -4.443 1.00 0.00 O ATOM 1443 CB LEU B 128 5.347 10.079 -7.139 1.00 0.00 C ATOM 1444 CG LEU B 128 4.487 9.309 -8.144 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.890 9.644 -9.581 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.539 7.805 -7.871 1.00 0.00 C ATOM 0 H LEU B 128 3.500 10.959 -5.760 1.00 0.00 H new ATOM 0 HA LEU B 128 5.010 8.614 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.130 11.142 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.395 9.940 -7.405 1.00 0.00 H new ATOM 0 HG LEU B 128 3.451 9.624 -8.018 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.263 9.083 -10.275 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.760 10.712 -9.756 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.935 9.376 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU B 128 3.920 7.281 -8.599 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.568 7.456 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.166 7.604 -6.867 1.00 0.00 H new ATOM 1458 N PRO B 129 7.141 8.875 -4.495 1.00 0.00 N ATOM 1459 CA PRO B 129 8.339 8.990 -3.681 1.00 0.00 C ATOM 1460 C PRO B 129 9.494 9.586 -4.486 1.00 0.00 C ATOM 1461 O PRO B 129 9.930 10.704 -4.219 1.00 0.00 O ATOM 1462 CB PRO B 129 8.621 7.576 -3.195 1.00 0.00 C ATOM 1463 CG PRO B 129 7.849 6.655 -4.125 1.00 0.00 C ATOM 1464 CD PRO B 129 6.861 7.503 -4.907 1.00 0.00 C ATOM 0 HA PRO B 129 8.211 9.669 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.688 7.358 -3.226 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.299 7.447 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.529 6.139 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.326 5.888 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO B 129 6.995 7.377 -5.981 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.832 7.223 -4.679 1.00 0.00 H new