USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 880 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 114 GLN : amide:sc= -1.79 K(o=-2.9,f=-1.6) USER MOD Set 1.2: A 121 THR OG1 : rot 116:sc= -1.15! USER MOD Set 2.1: A 109 GLN : amide:sc= -1.31 K(o=-0.62,f=-1.7!) USER MOD Set 2.2: A 111 SER OG : rot -2:sc= 0.695 USER MOD Set 3.1: A 91 THR OG1 : rot -20:sc= 1.39 USER MOD Set 3.2: A 93 CYS SG : rot 80:sc= -1.62! USER MOD Set 4.1: A 69 GLN : amide:sc= -2.75! K(o=-2!,f=-0.3) USER MOD Set 4.2: A 86 SER OG : rot -15:sc= 0.729 USER MOD Set 5.1: A 82 LYS NZ :NH3+ -171:sc= 0.606 (180deg=-0.226) USER MOD Set 5.2: A 84 TYR OH : rot 180:sc= 0.654 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.438 K(o=-0.44,f=1) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00827) USER MOD Single : A 36 THR OG1 : rot 76:sc= 0.962 USER MOD Single : A 39 SER OG : rot -33:sc= 0.1 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.6!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.1) USER MOD Single : A 61 MET CE :methyl -175:sc= -0.149 (180deg=-0.23) USER MOD Single : A 64 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.17) USER MOD Single : A 67 ASN : amide:sc= -0.0588 K(o=-0.059,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot -140:sc= 0 USER MOD Single : A 73 MET CE :methyl -129:sc= -0.0921 (180deg=-0.71) USER MOD Single : A 74 SER OG : rot 66:sc= 1.39 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 97 THR OG1 : rot 151:sc= -0.567 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -118:sc=-8.18e-05 (180deg=-0.263) USER MOD Single : A 113 LYS NZ :NH3+ -147:sc= 1.31 (180deg=-0.367) USER MOD Single : A 115 ASN : amide:sc= -0.185 K(o=-0.19,f=-2.1!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.7!) USER MOD Single : A 124 SER OG : rot 150:sc= -0.0218 USER MOD Single : A 127 SER OG : rot 15:sc= 0.89 USER MOD Single : A 131 THR OG1 : rot 69:sc= 0.777 USER MOD Single : A 135 THR OG1 : rot 90:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -2.038 14.208 -7.970 1.00 74.25 N ATOM 287 CA LEU A 20 -1.288 13.419 -6.986 1.00 31.42 C ATOM 288 C LEU A 20 0.177 13.317 -7.435 1.00 12.43 C ATOM 289 O LEU A 20 0.456 12.756 -8.503 1.00 24.30 O ATOM 290 CB LEU A 20 -1.888 11.991 -6.859 1.00 44.22 C ATOM 291 CG LEU A 20 -1.235 11.086 -5.763 1.00 3.10 C ATOM 292 CD1 LEU A 20 -1.577 11.613 -4.370 1.00 42.42 C ATOM 293 CD2 LEU A 20 -1.629 9.603 -5.918 1.00 62.43 C ATOM 0 HA LEU A 20 -1.351 13.912 -6.016 1.00 31.42 H new ATOM 0 HB2 LEU A 20 -2.953 12.080 -6.646 1.00 44.22 H new ATOM 0 HB3 LEU A 20 -1.797 11.490 -7.822 1.00 44.22 H new ATOM 0 HG LEU A 20 -0.154 11.132 -5.896 1.00 3.10 H new ATOM 0 HD11 LEU A 20 -1.117 10.974 -3.616 1.00 42.42 H new ATOM 0 HD12 LEU A 20 -1.200 12.630 -4.263 1.00 42.42 H new ATOM 0 HD13 LEU A 20 -2.659 11.611 -4.236 1.00 42.42 H new ATOM 0 HD21 LEU A 20 -1.151 9.016 -5.134 1.00 62.43 H new ATOM 0 HD22 LEU A 20 -2.711 9.504 -5.837 1.00 62.43 H new ATOM 0 HD23 LEU A 20 -1.304 9.240 -6.893 1.00 62.43 H new ATOM 305 N MET A 21 1.104 13.882 -6.654 1.00 62.31 N ATOM 306 CA MET A 21 2.554 13.745 -6.906 1.00 0.10 C ATOM 307 C MET A 21 3.218 13.087 -5.693 1.00 2.32 C ATOM 308 O MET A 21 3.484 13.771 -4.698 1.00 72.52 O ATOM 309 CB MET A 21 3.180 15.143 -7.190 1.00 15.33 C ATOM 310 CG MET A 21 4.712 15.153 -7.361 1.00 53.33 C ATOM 311 SD MET A 21 5.385 16.823 -7.472 1.00 32.43 S ATOM 312 CE MET A 21 7.144 16.503 -7.564 1.00 13.20 C ATOM 0 H MET A 21 0.879 14.445 -5.833 1.00 62.31 H new ATOM 0 HA MET A 21 2.717 13.116 -7.781 1.00 0.10 H new ATOM 0 HB2 MET A 21 2.727 15.550 -8.094 1.00 15.33 H new ATOM 0 HB3 MET A 21 2.917 15.814 -6.372 1.00 15.33 H new ATOM 0 HG2 MET A 21 5.171 14.635 -6.519 1.00 53.33 H new ATOM 0 HG3 MET A 21 4.977 14.597 -8.260 1.00 53.33 H new ATOM 0 HE1 MET A 21 7.682 17.448 -7.636 1.00 13.20 H new ATOM 0 HE2 MET A 21 7.464 15.970 -6.669 1.00 13.20 H new ATOM 0 HE3 MET A 21 7.358 15.895 -8.443 1.00 13.20 H new ATOM 322 N LEU A 22 3.494 11.771 -5.757 1.00 44.22 N ATOM 323 CA LEU A 22 4.133 11.043 -4.643 1.00 24.34 C ATOM 324 C LEU A 22 5.619 11.428 -4.590 1.00 61.32 C ATOM 325 O LEU A 22 6.400 11.040 -5.461 1.00 1.35 O ATOM 326 CB LEU A 22 3.953 9.508 -4.812 1.00 43.40 C ATOM 327 CG LEU A 22 2.485 8.985 -4.755 1.00 71.11 C ATOM 328 CD1 LEU A 22 2.420 7.487 -5.109 1.00 11.15 C ATOM 329 CD2 LEU A 22 1.840 9.260 -3.377 1.00 3.11 C ATOM 0 H LEU A 22 3.285 11.189 -6.568 1.00 44.22 H new ATOM 0 HA LEU A 22 3.657 11.319 -3.702 1.00 24.34 H new ATOM 0 HB2 LEU A 22 4.386 9.214 -5.768 1.00 43.40 H new ATOM 0 HB3 LEU A 22 4.528 9.006 -4.034 1.00 43.40 H new ATOM 0 HG LEU A 22 1.910 9.533 -5.501 1.00 71.11 H new ATOM 0 HD11 LEU A 22 1.386 7.147 -5.062 1.00 11.15 H new ATOM 0 HD12 LEU A 22 2.807 7.334 -6.116 1.00 11.15 H new ATOM 0 HD13 LEU A 22 3.021 6.919 -4.399 1.00 11.15 H new ATOM 0 HD21 LEU A 22 0.817 8.883 -3.372 1.00 3.11 H new ATOM 0 HD22 LEU A 22 2.416 8.758 -2.599 1.00 3.11 H new ATOM 0 HD23 LEU A 22 1.832 10.333 -3.187 1.00 3.11 H new ATOM 409 N GLN A 27 10.067 7.950 6.086 1.00 3.23 N ATOM 410 CA GLN A 27 10.135 6.551 6.496 1.00 63.23 C ATOM 411 C GLN A 27 9.444 6.413 7.857 1.00 41.10 C ATOM 412 O GLN A 27 10.027 6.743 8.900 1.00 35.14 O ATOM 413 CB GLN A 27 11.609 6.034 6.565 1.00 73.45 C ATOM 414 CG GLN A 27 12.346 5.956 5.208 1.00 5.35 C ATOM 415 CD GLN A 27 13.021 7.258 4.746 1.00 24.11 C ATOM 416 OE1 GLN A 27 12.576 8.366 5.041 1.00 13.44 O ATOM 417 NE2 GLN A 27 14.098 7.123 3.987 1.00 34.33 N ATOM 0 HA GLN A 27 9.627 5.937 5.753 1.00 63.23 H new ATOM 0 HB2 GLN A 27 12.175 6.687 7.230 1.00 73.45 H new ATOM 0 HB3 GLN A 27 11.608 5.042 7.017 1.00 73.45 H new ATOM 0 HG2 GLN A 27 13.105 5.176 5.271 1.00 5.35 H new ATOM 0 HG3 GLN A 27 11.633 5.646 4.444 1.00 5.35 H new ATOM 0 HE21 GLN A 27 14.447 6.192 3.757 1.00 34.33 H new ATOM 0 HE22 GLN A 27 14.579 7.950 3.632 1.00 34.33 H new ATOM 426 N LEU A 28 8.185 5.964 7.832 1.00 2.30 N ATOM 427 CA LEU A 28 7.378 5.810 9.041 1.00 52.30 C ATOM 428 C LEU A 28 7.749 4.491 9.726 1.00 3.15 C ATOM 429 O LEU A 28 8.056 3.504 9.044 1.00 35.03 O ATOM 430 CB LEU A 28 5.874 5.837 8.678 1.00 74.14 C ATOM 431 CG LEU A 28 5.422 6.998 7.745 1.00 34.20 C ATOM 432 CD1 LEU A 28 3.922 6.881 7.451 1.00 30.20 C ATOM 433 CD2 LEU A 28 5.775 8.379 8.337 1.00 63.13 C ATOM 0 H LEU A 28 7.700 5.699 6.975 1.00 2.30 H new ATOM 0 HA LEU A 28 7.576 6.634 9.727 1.00 52.30 H new ATOM 0 HB2 LEU A 28 5.618 4.892 8.200 1.00 74.14 H new ATOM 0 HB3 LEU A 28 5.298 5.893 9.602 1.00 74.14 H new ATOM 0 HG LEU A 28 5.968 6.912 6.805 1.00 34.20 H new ATOM 0 HD11 LEU A 28 3.615 7.697 6.798 1.00 30.20 H new ATOM 0 HD12 LEU A 28 3.720 5.928 6.961 1.00 30.20 H new ATOM 0 HD13 LEU A 28 3.363 6.934 8.385 1.00 30.20 H new ATOM 0 HD21 LEU A 28 5.443 9.163 7.656 1.00 63.13 H new ATOM 0 HD22 LEU A 28 5.278 8.500 9.299 1.00 63.13 H new ATOM 0 HD23 LEU A 28 6.854 8.451 8.474 1.00 63.13 H new ATOM 445 N THR A 29 7.731 4.479 11.062 1.00 2.02 N ATOM 446 CA THR A 29 7.973 3.266 11.855 1.00 31.32 C ATOM 447 C THR A 29 6.713 2.393 11.866 1.00 61.11 C ATOM 448 O THR A 29 5.632 2.858 11.493 1.00 41.10 O ATOM 449 CB THR A 29 8.387 3.641 13.318 1.00 61.53 C ATOM 450 OG1 THR A 29 7.326 4.362 13.965 1.00 53.12 O ATOM 451 CG2 THR A 29 9.662 4.495 13.330 1.00 52.20 C ATOM 0 H THR A 29 7.548 5.309 11.626 1.00 2.02 H new ATOM 0 HA THR A 29 8.790 2.705 11.401 1.00 31.32 H new ATOM 0 HB THR A 29 8.582 2.714 13.857 1.00 61.53 H new ATOM 0 HG1 THR A 29 7.595 4.590 14.879 1.00 53.12 H new ATOM 0 HG21 THR A 29 9.926 4.740 14.359 1.00 52.20 H new ATOM 0 HG22 THR A 29 10.478 3.938 12.869 1.00 52.20 H new ATOM 0 HG23 THR A 29 9.489 5.414 12.770 1.00 52.20 H new ATOM 459 N ALA A 30 6.876 1.122 12.272 1.00 23.15 N ATOM 460 CA ALA A 30 5.752 0.192 12.499 1.00 52.13 C ATOM 461 C ALA A 30 4.807 0.729 13.577 1.00 15.14 C ATOM 462 O ALA A 30 3.589 0.543 13.497 1.00 1.52 O ATOM 463 CB ALA A 30 6.281 -1.201 12.886 1.00 63.20 C ATOM 0 H ALA A 30 7.791 0.709 12.453 1.00 23.15 H new ATOM 0 HA ALA A 30 5.187 0.104 11.571 1.00 52.13 H new ATOM 0 HB1 ALA A 30 5.441 -1.876 13.050 1.00 63.20 H new ATOM 0 HB2 ALA A 30 6.907 -1.589 12.082 1.00 63.20 H new ATOM 0 HB3 ALA A 30 6.870 -1.125 13.800 1.00 63.20 H new ATOM 469 N ASP A 31 5.403 1.406 14.575 1.00 13.31 N ATOM 470 CA ASP A 31 4.680 2.027 15.689 1.00 64.35 C ATOM 471 C ASP A 31 3.738 3.135 15.190 1.00 60.44 C ATOM 472 O ASP A 31 2.538 3.107 15.478 1.00 32.51 O ATOM 473 CB ASP A 31 5.685 2.620 16.716 1.00 41.52 C ATOM 474 CG ASP A 31 6.728 1.600 17.197 1.00 61.10 C ATOM 475 OD1 ASP A 31 7.725 1.381 16.475 1.00 61.32 O ATOM 476 OD2 ASP A 31 6.548 0.995 18.276 1.00 74.23 O ATOM 0 H ASP A 31 6.413 1.536 14.627 1.00 13.31 H new ATOM 0 HA ASP A 31 4.080 1.255 16.171 1.00 64.35 H new ATOM 0 HB2 ASP A 31 6.198 3.469 16.265 1.00 41.52 H new ATOM 0 HB3 ASP A 31 5.134 3.000 17.576 1.00 41.52 H new ATOM 481 N TYR A 32 4.292 4.077 14.388 1.00 64.45 N ATOM 482 CA TYR A 32 3.534 5.231 13.871 1.00 61.43 C ATOM 483 C TYR A 32 2.524 4.777 12.814 1.00 31.55 C ATOM 484 O TYR A 32 1.403 5.297 12.772 1.00 70.40 O ATOM 485 CB TYR A 32 4.468 6.321 13.266 1.00 1.22 C ATOM 486 CG TYR A 32 3.714 7.491 12.598 1.00 12.45 C ATOM 487 CD1 TYR A 32 3.160 8.521 13.359 1.00 53.25 C ATOM 488 CD2 TYR A 32 3.532 7.546 11.209 1.00 54.14 C ATOM 489 CE1 TYR A 32 2.463 9.554 12.761 1.00 61.32 C ATOM 490 CE2 TYR A 32 2.830 8.575 10.614 1.00 43.32 C ATOM 491 CZ TYR A 32 2.301 9.574 11.391 1.00 74.05 C ATOM 492 OH TYR A 32 1.596 10.597 10.798 1.00 71.33 O ATOM 0 H TYR A 32 5.266 4.055 14.087 1.00 64.45 H new ATOM 0 HA TYR A 32 3.007 5.672 14.717 1.00 61.43 H new ATOM 0 HB2 TYR A 32 5.107 6.717 14.055 1.00 1.22 H new ATOM 0 HB3 TYR A 32 5.123 5.856 12.529 1.00 1.22 H new ATOM 0 HD1 TYR A 32 3.278 8.511 14.433 1.00 53.25 H new ATOM 0 HD2 TYR A 32 3.950 6.766 10.591 1.00 54.14 H new ATOM 0 HE1 TYR A 32 2.045 10.345 13.366 1.00 61.32 H new ATOM 0 HE2 TYR A 32 2.698 8.593 9.542 1.00 43.32 H new ATOM 0 HH TYR A 32 1.576 10.461 9.828 1.00 71.33 H new ATOM 502 N PHE A 33 2.943 3.850 11.926 1.00 52.21 N ATOM 503 CA PHE A 33 2.059 3.311 10.882 1.00 65.41 C ATOM 504 C PHE A 33 0.790 2.718 11.508 1.00 64.52 C ATOM 505 O PHE A 33 -0.298 3.108 11.142 1.00 41.40 O ATOM 506 CB PHE A 33 2.769 2.227 10.033 1.00 12.22 C ATOM 507 CG PHE A 33 1.862 1.601 8.965 1.00 54.20 C ATOM 508 CD1 PHE A 33 1.694 2.213 7.729 1.00 65.25 C ATOM 509 CD2 PHE A 33 1.140 0.426 9.216 1.00 13.25 C ATOM 510 CE1 PHE A 33 0.851 1.674 6.783 1.00 3.44 C ATOM 511 CE2 PHE A 33 0.288 -0.098 8.266 1.00 3.31 C ATOM 512 CZ PHE A 33 0.147 0.523 7.050 1.00 71.31 C ATOM 0 H PHE A 33 3.887 3.463 11.915 1.00 52.21 H new ATOM 0 HA PHE A 33 1.792 4.139 10.226 1.00 65.41 H new ATOM 0 HB2 PHE A 33 3.639 2.668 9.547 1.00 12.22 H new ATOM 0 HB3 PHE A 33 3.137 1.441 10.693 1.00 12.22 H new ATOM 0 HD1 PHE A 33 2.231 3.123 7.507 1.00 65.25 H new ATOM 0 HD2 PHE A 33 1.252 -0.076 10.166 1.00 13.25 H new ATOM 0 HE1 PHE A 33 0.742 2.159 5.824 1.00 3.44 H new ATOM 0 HE2 PHE A 33 -0.269 -0.998 8.479 1.00 3.31 H new ATOM 0 HZ PHE A 33 -0.515 0.109 6.304 1.00 71.31 H new ATOM 522 N GLU A 34 0.982 1.771 12.450 1.00 3.33 N ATOM 523 CA GLU A 34 -0.116 1.069 13.146 1.00 15.22 C ATOM 524 C GLU A 34 -0.995 2.056 13.943 1.00 45.11 C ATOM 525 O GLU A 34 -2.215 1.916 13.981 1.00 3.01 O ATOM 526 CB GLU A 34 0.476 -0.024 14.073 1.00 41.03 C ATOM 527 CG GLU A 34 -0.567 -0.911 14.765 1.00 62.13 C ATOM 528 CD GLU A 34 0.065 -2.023 15.596 1.00 4.42 C ATOM 529 OE1 GLU A 34 0.398 -3.092 15.026 1.00 33.32 O ATOM 530 OE2 GLU A 34 0.262 -1.826 16.814 1.00 41.13 O ATOM 0 H GLU A 34 1.909 1.470 12.751 1.00 3.33 H new ATOM 0 HA GLU A 34 -0.758 0.596 12.403 1.00 15.22 H new ATOM 0 HB2 GLU A 34 1.140 -0.658 13.486 1.00 41.03 H new ATOM 0 HB3 GLU A 34 1.087 0.458 14.836 1.00 41.03 H new ATOM 0 HG2 GLU A 34 -1.194 -0.294 15.408 1.00 62.13 H new ATOM 0 HG3 GLU A 34 -1.220 -1.352 14.012 1.00 62.13 H new ATOM 537 N LYS A 35 -0.338 3.066 14.541 1.00 33.44 N ATOM 538 CA LYS A 35 -0.991 4.189 15.251 1.00 63.04 C ATOM 539 C LYS A 35 -1.995 4.921 14.331 1.00 62.33 C ATOM 540 O LYS A 35 -3.184 5.039 14.653 1.00 64.24 O ATOM 541 CB LYS A 35 0.123 5.165 15.756 1.00 22.21 C ATOM 542 CG LYS A 35 -0.307 6.604 16.113 1.00 13.41 C ATOM 543 CD LYS A 35 -1.215 6.692 17.358 1.00 71.23 C ATOM 544 CE LYS A 35 -1.489 8.145 17.761 1.00 1.31 C ATOM 545 NZ LYS A 35 -2.291 8.865 16.739 1.00 30.41 N ATOM 0 H LYS A 35 0.680 3.129 14.546 1.00 33.44 H new ATOM 0 HA LYS A 35 -1.559 3.807 16.099 1.00 63.04 H new ATOM 0 HB2 LYS A 35 0.585 4.722 16.638 1.00 22.21 H new ATOM 0 HB3 LYS A 35 0.894 5.224 14.988 1.00 22.21 H new ATOM 0 HG2 LYS A 35 0.584 7.208 16.281 1.00 13.41 H new ATOM 0 HG3 LYS A 35 -0.831 7.039 15.261 1.00 13.41 H new ATOM 0 HD2 LYS A 35 -2.159 6.187 17.156 1.00 71.23 H new ATOM 0 HD3 LYS A 35 -0.744 6.167 18.189 1.00 71.23 H new ATOM 0 HE2 LYS A 35 -2.017 8.163 18.715 1.00 1.31 H new ATOM 0 HE3 LYS A 35 -0.542 8.664 17.911 1.00 1.31 H new ATOM 0 HZ1 LYS A 35 -2.496 9.828 17.074 1.00 30.41 H new ATOM 0 HZ2 LYS A 35 -1.755 8.915 15.849 1.00 30.41 H new ATOM 0 HZ3 LYS A 35 -3.184 8.357 16.577 1.00 30.41 H new ATOM 559 N THR A 36 -1.501 5.333 13.162 1.00 30.34 N ATOM 560 CA THR A 36 -2.262 6.134 12.200 1.00 24.04 C ATOM 561 C THR A 36 -3.324 5.260 11.495 1.00 72.14 C ATOM 562 O THR A 36 -4.464 5.669 11.337 1.00 2.22 O ATOM 563 CB THR A 36 -1.281 6.787 11.171 1.00 41.53 C ATOM 564 OG1 THR A 36 -0.211 7.445 11.886 1.00 53.30 O ATOM 565 CG2 THR A 36 -1.971 7.815 10.262 1.00 14.15 C ATOM 0 H THR A 36 -0.553 5.118 12.853 1.00 30.34 H new ATOM 0 HA THR A 36 -2.789 6.931 12.724 1.00 24.04 H new ATOM 0 HB THR A 36 -0.901 5.987 10.536 1.00 41.53 H new ATOM 0 HG1 THR A 36 0.418 6.774 12.224 1.00 53.30 H new ATOM 0 HG21 THR A 36 -1.242 8.235 9.569 1.00 14.15 H new ATOM 0 HG22 THR A 36 -2.767 7.327 9.700 1.00 14.15 H new ATOM 0 HG23 THR A 36 -2.394 8.613 10.871 1.00 14.15 H new ATOM 573 N TRP A 37 -2.938 4.015 11.180 1.00 4.15 N ATOM 574 CA TRP A 37 -3.783 3.016 10.504 1.00 21.03 C ATOM 575 C TRP A 37 -5.049 2.732 11.334 1.00 55.20 C ATOM 576 O TRP A 37 -6.168 2.856 10.832 1.00 1.41 O ATOM 577 CB TRP A 37 -2.945 1.722 10.284 1.00 52.44 C ATOM 578 CG TRP A 37 -3.685 0.556 9.663 1.00 2.23 C ATOM 579 CD1 TRP A 37 -4.331 -0.454 10.317 1.00 11.31 C ATOM 580 CD2 TRP A 37 -3.840 0.280 8.265 1.00 53.12 C ATOM 581 NE1 TRP A 37 -4.879 -1.327 9.415 1.00 25.31 N ATOM 582 CE2 TRP A 37 -4.585 -0.908 8.152 1.00 30.34 C ATOM 583 CE3 TRP A 37 -3.421 0.920 7.098 1.00 63.24 C ATOM 584 CZ2 TRP A 37 -4.915 -1.467 6.922 1.00 73.31 C ATOM 585 CZ3 TRP A 37 -3.749 0.366 5.879 1.00 61.11 C ATOM 586 CH2 TRP A 37 -4.487 -0.815 5.798 1.00 54.04 C ATOM 0 H TRP A 37 -2.004 3.664 11.394 1.00 4.15 H new ATOM 0 HA TRP A 37 -4.110 3.397 9.537 1.00 21.03 H new ATOM 0 HB2 TRP A 37 -2.093 1.967 9.650 1.00 52.44 H new ATOM 0 HB3 TRP A 37 -2.545 1.403 11.246 1.00 52.44 H new ATOM 0 HD1 TRP A 37 -4.400 -0.550 11.390 1.00 11.31 H new ATOM 0 HE1 TRP A 37 -5.421 -2.158 9.651 1.00 25.31 H new ATOM 0 HE3 TRP A 37 -2.849 1.835 7.149 1.00 63.24 H new ATOM 0 HZ2 TRP A 37 -5.487 -2.381 6.857 1.00 73.31 H new ATOM 0 HZ3 TRP A 37 -3.429 0.855 4.971 1.00 61.11 H new ATOM 0 HH2 TRP A 37 -4.726 -1.223 4.827 1.00 54.04 H new ATOM 597 N LEU A 38 -4.841 2.404 12.622 1.00 34.43 N ATOM 598 CA LEU A 38 -5.932 2.082 13.557 1.00 72.03 C ATOM 599 C LEU A 38 -6.726 3.339 13.933 1.00 40.24 C ATOM 600 O LEU A 38 -7.892 3.241 14.336 1.00 11.23 O ATOM 601 CB LEU A 38 -5.373 1.381 14.826 1.00 2.13 C ATOM 602 CG LEU A 38 -4.738 -0.027 14.592 1.00 71.33 C ATOM 603 CD1 LEU A 38 -4.196 -0.623 15.912 1.00 41.40 C ATOM 604 CD2 LEU A 38 -5.738 -0.989 13.905 1.00 61.30 C ATOM 0 H LEU A 38 -3.913 2.355 13.043 1.00 34.43 H new ATOM 0 HA LEU A 38 -6.614 1.395 13.057 1.00 72.03 H new ATOM 0 HB2 LEU A 38 -4.621 2.029 15.276 1.00 2.13 H new ATOM 0 HB3 LEU A 38 -6.182 1.280 15.550 1.00 2.13 H new ATOM 0 HG LEU A 38 -3.892 0.100 13.917 1.00 71.33 H new ATOM 0 HD11 LEU A 38 -3.760 -1.603 15.717 1.00 41.40 H new ATOM 0 HD12 LEU A 38 -3.433 0.038 16.323 1.00 41.40 H new ATOM 0 HD13 LEU A 38 -5.012 -0.725 16.627 1.00 41.40 H new ATOM 0 HD21 LEU A 38 -5.265 -1.960 13.756 1.00 61.30 H new ATOM 0 HD22 LEU A 38 -6.620 -1.107 14.534 1.00 61.30 H new ATOM 0 HD23 LEU A 38 -6.034 -0.578 12.940 1.00 61.30 H new ATOM 616 N SER A 39 -6.085 4.521 13.814 1.00 74.13 N ATOM 617 CA SER A 39 -6.748 5.806 14.069 1.00 72.32 C ATOM 618 C SER A 39 -7.655 6.244 12.892 1.00 11.43 C ATOM 619 O SER A 39 -8.530 7.093 13.085 1.00 72.40 O ATOM 620 CB SER A 39 -5.702 6.904 14.360 1.00 42.12 C ATOM 621 OG SER A 39 -6.317 8.094 14.837 1.00 21.30 O ATOM 0 H SER A 39 -5.106 4.606 13.542 1.00 74.13 H new ATOM 0 HA SER A 39 -7.385 5.667 14.942 1.00 72.32 H new ATOM 0 HB2 SER A 39 -4.987 6.541 15.099 1.00 42.12 H new ATOM 0 HB3 SER A 39 -5.139 7.122 13.452 1.00 42.12 H new ATOM 0 HG SER A 39 -7.199 8.195 14.423 1.00 21.30 H new ATOM 627 N LEU A 40 -7.438 5.679 11.682 1.00 42.51 N ATOM 628 CA LEU A 40 -8.180 6.070 10.454 1.00 65.10 C ATOM 629 C LEU A 40 -9.277 5.060 10.110 1.00 75.00 C ATOM 630 O LEU A 40 -9.259 3.921 10.587 1.00 42.24 O ATOM 631 CB LEU A 40 -7.195 6.166 9.263 1.00 1.54 C ATOM 632 CG LEU A 40 -6.118 7.273 9.383 1.00 24.31 C ATOM 633 CD1 LEU A 40 -5.069 7.124 8.282 1.00 53.01 C ATOM 634 CD2 LEU A 40 -6.753 8.670 9.375 1.00 45.43 C ATOM 0 H LEU A 40 -6.749 4.943 11.526 1.00 42.51 H new ATOM 0 HA LEU A 40 -8.649 7.036 10.643 1.00 65.10 H new ATOM 0 HB2 LEU A 40 -6.694 5.205 9.149 1.00 1.54 H new ATOM 0 HB3 LEU A 40 -7.768 6.337 8.352 1.00 1.54 H new ATOM 0 HG LEU A 40 -5.614 7.156 10.342 1.00 24.31 H new ATOM 0 HD11 LEU A 40 -4.321 7.911 8.383 1.00 53.01 H new ATOM 0 HD12 LEU A 40 -4.586 6.151 8.369 1.00 53.01 H new ATOM 0 HD13 LEU A 40 -5.551 7.204 7.307 1.00 53.01 H new ATOM 0 HD21 LEU A 40 -5.972 9.425 9.461 1.00 45.43 H new ATOM 0 HD22 LEU A 40 -7.299 8.816 8.443 1.00 45.43 H new ATOM 0 HD23 LEU A 40 -7.440 8.762 10.216 1.00 45.43 H new ATOM 646 N LYS A 41 -10.197 5.483 9.233 1.00 43.35 N ATOM 647 CA LYS A 41 -11.250 4.630 8.663 1.00 12.52 C ATOM 648 C LYS A 41 -10.775 4.121 7.298 1.00 40.42 C ATOM 649 O LYS A 41 -9.927 4.764 6.655 1.00 60.20 O ATOM 650 CB LYS A 41 -12.568 5.431 8.516 1.00 51.02 C ATOM 651 CG LYS A 41 -13.082 6.040 9.835 1.00 5.51 C ATOM 652 CD LYS A 41 -14.438 6.767 9.684 1.00 61.43 C ATOM 653 CE LYS A 41 -15.599 5.818 9.356 1.00 52.22 C ATOM 654 NZ LYS A 41 -16.897 6.540 9.205 1.00 30.10 N ATOM 0 H LYS A 41 -10.232 6.444 8.893 1.00 43.35 H new ATOM 0 HA LYS A 41 -11.444 3.785 9.324 1.00 12.52 H new ATOM 0 HB2 LYS A 41 -12.415 6.232 7.793 1.00 51.02 H new ATOM 0 HB3 LYS A 41 -13.336 4.775 8.107 1.00 51.02 H new ATOM 0 HG2 LYS A 41 -13.182 5.249 10.578 1.00 5.51 H new ATOM 0 HG3 LYS A 41 -12.341 6.743 10.216 1.00 5.51 H new ATOM 0 HD2 LYS A 41 -14.662 7.300 10.608 1.00 61.43 H new ATOM 0 HD3 LYS A 41 -14.356 7.516 8.896 1.00 61.43 H new ATOM 0 HE2 LYS A 41 -15.376 5.280 8.435 1.00 52.22 H new ATOM 0 HE3 LYS A 41 -15.690 5.073 10.146 1.00 52.22 H new ATOM 0 HZ1 LYS A 41 -17.650 5.858 8.984 1.00 30.10 H new ATOM 0 HZ2 LYS A 41 -17.125 7.033 10.092 1.00 30.10 H new ATOM 0 HZ3 LYS A 41 -16.821 7.233 8.434 1.00 30.10 H new ATOM 668 N VAL A 42 -11.283 2.946 6.887 1.00 23.42 N ATOM 669 CA VAL A 42 -10.951 2.333 5.591 1.00 64.21 C ATOM 670 C VAL A 42 -11.524 3.188 4.451 1.00 24.24 C ATOM 671 O VAL A 42 -12.742 3.383 4.360 1.00 51.10 O ATOM 672 CB VAL A 42 -11.463 0.839 5.511 1.00 70.41 C ATOM 673 CG1 VAL A 42 -11.210 0.210 4.113 1.00 15.14 C ATOM 674 CG2 VAL A 42 -10.807 -0.017 6.631 1.00 52.35 C ATOM 0 H VAL A 42 -11.935 2.395 7.445 1.00 23.42 H new ATOM 0 HA VAL A 42 -9.866 2.300 5.488 1.00 64.21 H new ATOM 0 HB VAL A 42 -12.542 0.852 5.664 1.00 70.41 H new ATOM 0 HG11 VAL A 42 -11.577 -0.816 4.104 1.00 15.14 H new ATOM 0 HG12 VAL A 42 -11.734 0.790 3.353 1.00 15.14 H new ATOM 0 HG13 VAL A 42 -10.141 0.215 3.900 1.00 15.14 H new ATOM 0 HG21 VAL A 42 -11.169 -1.043 6.564 1.00 52.35 H new ATOM 0 HG22 VAL A 42 -9.724 -0.005 6.510 1.00 52.35 H new ATOM 0 HG23 VAL A 42 -11.068 0.397 7.605 1.00 52.35 H new ATOM 684 N ALA A 43 -10.631 3.711 3.597 1.00 44.23 N ATOM 685 CA ALA A 43 -11.004 4.643 2.520 1.00 23.11 C ATOM 686 C ALA A 43 -11.426 3.842 1.286 1.00 71.35 C ATOM 687 O ALA A 43 -12.368 4.208 0.572 1.00 21.52 O ATOM 688 CB ALA A 43 -9.823 5.575 2.213 1.00 15.44 C ATOM 0 H ALA A 43 -9.633 3.501 3.632 1.00 44.23 H new ATOM 0 HA ALA A 43 -11.846 5.262 2.830 1.00 23.11 H new ATOM 0 HB1 ALA A 43 -10.101 6.264 1.416 1.00 15.44 H new ATOM 0 HB2 ALA A 43 -9.564 6.141 3.108 1.00 15.44 H new ATOM 0 HB3 ALA A 43 -8.964 4.982 1.897 1.00 15.44 H new ATOM 694 N HIS A 44 -10.687 2.748 1.044 1.00 14.23 N ATOM 695 CA HIS A 44 -10.977 1.785 -0.016 1.00 14.31 C ATOM 696 C HIS A 44 -10.509 0.374 0.401 1.00 70.34 C ATOM 697 O HIS A 44 -9.493 0.224 1.089 1.00 14.20 O ATOM 698 CB HIS A 44 -10.271 2.240 -1.320 1.00 4.44 C ATOM 699 CG HIS A 44 -10.532 1.364 -2.524 1.00 62.12 C ATOM 700 ND1 HIS A 44 -11.703 1.460 -3.231 1.00 1.05 N ATOM 701 CD2 HIS A 44 -9.747 0.421 -3.107 1.00 14.03 C ATOM 702 CE1 HIS A 44 -11.607 0.592 -4.218 1.00 44.03 C ATOM 703 NE2 HIS A 44 -10.440 -0.061 -4.186 1.00 65.22 N ATOM 0 H HIS A 44 -9.860 2.509 1.591 1.00 14.23 H new ATOM 0 HA HIS A 44 -12.052 1.742 -0.190 1.00 14.31 H new ATOM 0 HB2 HIS A 44 -10.589 3.256 -1.553 1.00 4.44 H new ATOM 0 HB3 HIS A 44 -9.196 2.275 -1.141 1.00 4.44 H new ATOM 0 HD1 HIS A 44 -12.490 2.078 -3.033 1.00 1.05 H new ATOM 0 HD2 HIS A 44 -8.765 0.111 -2.782 1.00 14.03 H new ATOM 0 HE1 HIS A 44 -12.375 0.428 -4.960 1.00 44.03 H new ATOM 711 N GLN A 45 -11.278 -0.651 -0.017 1.00 0.42 N ATOM 712 CA GLN A 45 -10.897 -2.070 0.107 1.00 53.32 C ATOM 713 C GLN A 45 -11.260 -2.794 -1.199 1.00 32.42 C ATOM 714 O GLN A 45 -12.419 -2.753 -1.633 1.00 31.51 O ATOM 715 CB GLN A 45 -11.600 -2.744 1.319 1.00 72.00 C ATOM 716 CG GLN A 45 -11.327 -4.263 1.438 1.00 44.41 C ATOM 717 CD GLN A 45 -11.915 -4.889 2.700 1.00 54.51 C ATOM 718 OE1 GLN A 45 -13.064 -5.342 2.717 1.00 44.23 O ATOM 719 NE2 GLN A 45 -11.126 -4.932 3.763 1.00 75.40 N ATOM 0 H GLN A 45 -12.189 -0.515 -0.454 1.00 0.42 H new ATOM 0 HA GLN A 45 -9.823 -2.136 0.282 1.00 53.32 H new ATOM 0 HB2 GLN A 45 -11.272 -2.253 2.235 1.00 72.00 H new ATOM 0 HB3 GLN A 45 -12.675 -2.583 1.238 1.00 72.00 H new ATOM 0 HG2 GLN A 45 -11.740 -4.768 0.565 1.00 44.41 H new ATOM 0 HG3 GLN A 45 -10.250 -4.433 1.425 1.00 44.41 H new ATOM 0 HE21 GLN A 45 -10.182 -4.548 3.713 1.00 75.40 H new ATOM 0 HE22 GLN A 45 -11.462 -5.349 4.631 1.00 75.40 H new ATOM 728 N GLN A 46 -10.260 -3.438 -1.820 1.00 33.33 N ATOM 729 CA GLN A 46 -10.411 -4.181 -3.079 1.00 21.21 C ATOM 730 C GLN A 46 -9.658 -5.518 -2.995 1.00 61.34 C ATOM 731 O GLN A 46 -8.485 -5.542 -2.641 1.00 1.15 O ATOM 732 CB GLN A 46 -9.834 -3.338 -4.249 1.00 2.13 C ATOM 733 CG GLN A 46 -9.812 -4.059 -5.611 1.00 3.44 C ATOM 734 CD GLN A 46 -9.127 -3.246 -6.704 1.00 21.13 C ATOM 735 OE1 GLN A 46 -9.768 -2.467 -7.405 1.00 45.22 O ATOM 736 NE2 GLN A 46 -7.811 -3.396 -6.840 1.00 1.13 N ATOM 0 H GLN A 46 -9.308 -3.457 -1.455 1.00 33.33 H new ATOM 0 HA GLN A 46 -11.469 -4.377 -3.252 1.00 21.21 H new ATOM 0 HB2 GLN A 46 -10.422 -2.425 -4.346 1.00 2.13 H new ATOM 0 HB3 GLN A 46 -8.817 -3.037 -3.996 1.00 2.13 H new ATOM 0 HG2 GLN A 46 -9.300 -5.015 -5.502 1.00 3.44 H new ATOM 0 HG3 GLN A 46 -10.835 -4.279 -5.916 1.00 3.44 H new ATOM 0 HE21 GLN A 46 -7.308 -4.051 -6.242 1.00 1.13 H new ATOM 0 HE22 GLN A 46 -7.306 -2.855 -7.542 1.00 1.13 H new ATOM 745 N VAL A 47 -10.335 -6.616 -3.350 1.00 35.35 N ATOM 746 CA VAL A 47 -9.721 -7.952 -3.468 1.00 73.31 C ATOM 747 C VAL A 47 -9.616 -8.312 -4.965 1.00 50.43 C ATOM 748 O VAL A 47 -10.546 -8.052 -5.735 1.00 54.31 O ATOM 749 CB VAL A 47 -10.566 -9.042 -2.703 1.00 15.30 C ATOM 750 CG1 VAL A 47 -9.892 -10.431 -2.771 1.00 55.23 C ATOM 751 CG2 VAL A 47 -10.827 -8.617 -1.239 1.00 35.22 C ATOM 0 H VAL A 47 -11.332 -6.607 -3.566 1.00 35.35 H new ATOM 0 HA VAL A 47 -8.730 -7.931 -3.014 1.00 73.31 H new ATOM 0 HB VAL A 47 -11.530 -9.123 -3.204 1.00 15.30 H new ATOM 0 HG11 VAL A 47 -10.501 -11.158 -2.234 1.00 55.23 H new ATOM 0 HG12 VAL A 47 -9.795 -10.738 -3.812 1.00 55.23 H new ATOM 0 HG13 VAL A 47 -8.903 -10.378 -2.315 1.00 55.23 H new ATOM 0 HG21 VAL A 47 -11.412 -9.387 -0.735 1.00 35.22 H new ATOM 0 HG22 VAL A 47 -9.876 -8.488 -0.723 1.00 35.22 H new ATOM 0 HG23 VAL A 47 -11.378 -7.677 -1.226 1.00 35.22 H new ATOM 761 N LEU A 48 -8.470 -8.889 -5.364 1.00 34.02 N ATOM 762 CA LEU A 48 -8.187 -9.287 -6.759 1.00 70.51 C ATOM 763 C LEU A 48 -7.826 -10.788 -6.796 1.00 71.12 C ATOM 764 O LEU A 48 -7.074 -11.242 -5.939 1.00 62.24 O ATOM 765 CB LEU A 48 -7.023 -8.423 -7.343 1.00 44.35 C ATOM 766 CG LEU A 48 -7.307 -6.893 -7.470 1.00 51.35 C ATOM 767 CD1 LEU A 48 -6.075 -6.129 -8.020 1.00 74.34 C ATOM 768 CD2 LEU A 48 -8.567 -6.637 -8.335 1.00 35.24 C ATOM 0 H LEU A 48 -7.704 -9.096 -4.723 1.00 34.02 H new ATOM 0 HA LEU A 48 -9.072 -9.119 -7.373 1.00 70.51 H new ATOM 0 HB2 LEU A 48 -6.144 -8.559 -6.713 1.00 44.35 H new ATOM 0 HB3 LEU A 48 -6.770 -8.809 -8.330 1.00 44.35 H new ATOM 0 HG LEU A 48 -7.503 -6.506 -6.470 1.00 51.35 H new ATOM 0 HD11 LEU A 48 -6.309 -5.067 -8.095 1.00 74.34 H new ATOM 0 HD12 LEU A 48 -5.230 -6.268 -7.345 1.00 74.34 H new ATOM 0 HD13 LEU A 48 -5.818 -6.515 -9.007 1.00 74.34 H new ATOM 0 HD21 LEU A 48 -8.745 -5.564 -8.410 1.00 35.24 H new ATOM 0 HD22 LEU A 48 -8.414 -7.050 -9.332 1.00 35.24 H new ATOM 0 HD23 LEU A 48 -9.429 -7.117 -7.872 1.00 35.24 H new ATOM 780 N PRO A 49 -8.355 -11.584 -7.782 1.00 21.32 N ATOM 781 CA PRO A 49 -7.998 -13.018 -7.926 1.00 2.15 C ATOM 782 C PRO A 49 -6.532 -13.179 -8.394 1.00 43.31 C ATOM 783 O PRO A 49 -6.229 -13.111 -9.592 1.00 55.30 O ATOM 784 CB PRO A 49 -9.024 -13.530 -8.975 1.00 75.05 C ATOM 785 CG PRO A 49 -9.387 -12.321 -9.787 1.00 33.41 C ATOM 786 CD PRO A 49 -9.330 -11.150 -8.827 1.00 43.52 C ATOM 0 HA PRO A 49 -8.048 -13.581 -6.994 1.00 2.15 H new ATOM 0 HB2 PRO A 49 -8.592 -14.311 -9.601 1.00 75.05 H new ATOM 0 HB3 PRO A 49 -9.902 -13.959 -8.492 1.00 75.05 H new ATOM 0 HG2 PRO A 49 -8.692 -12.183 -10.615 1.00 33.41 H new ATOM 0 HG3 PRO A 49 -10.382 -12.424 -10.220 1.00 33.41 H new ATOM 0 HD2 PRO A 49 -8.999 -10.240 -9.327 1.00 43.52 H new ATOM 0 HD3 PRO A 49 -10.309 -10.939 -8.396 1.00 43.52 H new ATOM 794 N TRP A 50 -5.617 -13.342 -7.425 1.00 24.54 N ATOM 795 CA TRP A 50 -4.175 -13.354 -7.695 1.00 1.13 C ATOM 796 C TRP A 50 -3.731 -14.740 -8.206 1.00 72.53 C ATOM 797 O TRP A 50 -3.789 -15.729 -7.467 1.00 55.42 O ATOM 798 CB TRP A 50 -3.372 -12.956 -6.434 1.00 64.13 C ATOM 799 CG TRP A 50 -1.871 -12.949 -6.676 1.00 72.22 C ATOM 800 CD1 TRP A 50 -0.982 -13.963 -6.424 1.00 11.30 C ATOM 801 CD2 TRP A 50 -1.098 -11.889 -7.266 1.00 44.44 C ATOM 802 NE1 TRP A 50 0.275 -13.600 -6.823 1.00 24.43 N ATOM 803 CE2 TRP A 50 0.237 -12.330 -7.330 1.00 3.32 C ATOM 804 CE3 TRP A 50 -1.400 -10.608 -7.741 1.00 12.53 C ATOM 805 CZ2 TRP A 50 1.262 -11.544 -7.847 1.00 72.35 C ATOM 806 CZ3 TRP A 50 -0.380 -9.830 -8.253 1.00 71.11 C ATOM 807 CH2 TRP A 50 0.937 -10.297 -8.300 1.00 61.02 C ATOM 0 H TRP A 50 -5.856 -13.468 -6.441 1.00 24.54 H new ATOM 0 HA TRP A 50 -3.970 -12.617 -8.472 1.00 1.13 H new ATOM 0 HB2 TRP A 50 -3.688 -11.966 -6.104 1.00 64.13 H new ATOM 0 HB3 TRP A 50 -3.603 -13.650 -5.626 1.00 64.13 H new ATOM 0 HD1 TRP A 50 -1.238 -14.911 -5.975 1.00 11.30 H new ATOM 0 HE1 TRP A 50 1.109 -14.184 -6.754 1.00 24.43 H new ATOM 0 HE3 TRP A 50 -2.413 -10.234 -7.708 1.00 12.53 H new ATOM 0 HZ2 TRP A 50 2.278 -11.907 -7.889 1.00 72.35 H new ATOM 0 HZ3 TRP A 50 -0.604 -8.841 -8.625 1.00 71.11 H new ATOM 0 HH2 TRP A 50 1.711 -9.660 -8.702 1.00 61.02 H new ATOM 864 N PHE A 54 4.259 -14.786 -8.286 1.00 73.34 N ATOM 865 CA PHE A 54 4.242 -13.937 -7.095 1.00 2.13 C ATOM 866 C PHE A 54 5.676 -13.648 -6.635 1.00 70.42 C ATOM 867 O PHE A 54 6.389 -14.554 -6.199 1.00 40.15 O ATOM 868 CB PHE A 54 3.450 -14.625 -5.971 1.00 65.25 C ATOM 869 CG PHE A 54 3.368 -13.810 -4.689 1.00 2.41 C ATOM 870 CD1 PHE A 54 2.843 -12.516 -4.708 1.00 1.12 C ATOM 871 CD2 PHE A 54 3.826 -14.327 -3.474 1.00 33.41 C ATOM 872 CE1 PHE A 54 2.773 -11.770 -3.559 1.00 31.13 C ATOM 873 CE2 PHE A 54 3.754 -13.576 -2.329 1.00 21.42 C ATOM 874 CZ PHE A 54 3.229 -12.301 -2.378 1.00 43.11 C ATOM 0 HA PHE A 54 3.756 -12.992 -7.339 1.00 2.13 H new ATOM 0 HB2 PHE A 54 2.440 -14.831 -6.325 1.00 65.25 H new ATOM 0 HB3 PHE A 54 3.912 -15.587 -5.750 1.00 65.25 H new ATOM 0 HD1 PHE A 54 2.488 -12.098 -5.638 1.00 1.12 H new ATOM 0 HD2 PHE A 54 4.239 -15.324 -3.437 1.00 33.41 H new ATOM 0 HE1 PHE A 54 2.362 -10.772 -3.583 1.00 31.13 H new ATOM 0 HE2 PHE A 54 4.107 -13.981 -1.392 1.00 21.42 H new ATOM 0 HZ PHE A 54 3.176 -11.712 -1.474 1.00 43.11 H new ATOM 884 N HIS A 55 6.109 -12.389 -6.771 1.00 53.34 N ATOM 885 CA HIS A 55 7.456 -11.958 -6.358 1.00 51.54 C ATOM 886 C HIS A 55 7.357 -10.668 -5.507 1.00 21.33 C ATOM 887 O HIS A 55 7.228 -9.578 -6.067 1.00 50.51 O ATOM 888 CB HIS A 55 8.373 -11.750 -7.594 1.00 13.55 C ATOM 889 CG HIS A 55 8.811 -13.020 -8.296 1.00 74.32 C ATOM 890 ND1 HIS A 55 10.130 -13.420 -8.388 1.00 32.41 N ATOM 891 CD2 HIS A 55 8.100 -13.967 -8.956 1.00 63.33 C ATOM 892 CE1 HIS A 55 10.198 -14.547 -9.072 1.00 60.44 C ATOM 893 NE2 HIS A 55 8.983 -14.899 -9.426 1.00 0.35 N ATOM 0 H HIS A 55 5.541 -11.641 -7.168 1.00 53.34 H new ATOM 0 HA HIS A 55 7.906 -12.741 -5.747 1.00 51.54 H new ATOM 0 HB2 HIS A 55 7.849 -11.119 -8.312 1.00 13.55 H new ATOM 0 HB3 HIS A 55 9.262 -11.204 -7.279 1.00 13.55 H new ATOM 0 HD2 HIS A 55 7.028 -13.982 -9.087 1.00 63.33 H new ATOM 0 HE1 HIS A 55 11.103 -15.090 -9.302 1.00 60.44 H new ATOM 0 HE2 HIS A 55 8.739 -15.731 -9.963 1.00 0.35 H new ATOM 902 N PRO A 56 7.354 -10.785 -4.137 1.00 33.52 N ATOM 903 CA PRO A 56 7.385 -9.613 -3.213 1.00 3.55 C ATOM 904 C PRO A 56 8.623 -8.719 -3.388 1.00 43.14 C ATOM 905 O PRO A 56 8.563 -7.517 -3.128 1.00 0.24 O ATOM 906 CB PRO A 56 7.382 -10.252 -1.807 1.00 43.13 C ATOM 907 CG PRO A 56 6.799 -11.613 -2.006 1.00 44.32 C ATOM 908 CD PRO A 56 7.250 -12.058 -3.377 1.00 70.14 C ATOM 0 HA PRO A 56 6.542 -8.949 -3.404 1.00 3.55 H new ATOM 0 HB2 PRO A 56 8.390 -10.310 -1.397 1.00 43.13 H new ATOM 0 HB3 PRO A 56 6.787 -9.665 -1.107 1.00 43.13 H new ATOM 0 HG2 PRO A 56 7.146 -12.303 -1.237 1.00 44.32 H new ATOM 0 HG3 PRO A 56 5.711 -11.586 -1.942 1.00 44.32 H new ATOM 0 HD2 PRO A 56 8.206 -12.580 -3.335 1.00 70.14 H new ATOM 0 HD3 PRO A 56 6.533 -12.741 -3.833 1.00 70.14 H new ATOM 916 N ASP A 57 9.749 -9.336 -3.792 1.00 51.32 N ATOM 917 CA ASP A 57 11.007 -8.605 -4.065 1.00 61.11 C ATOM 918 C ASP A 57 10.830 -7.674 -5.279 1.00 23.22 C ATOM 919 O ASP A 57 11.192 -6.496 -5.218 1.00 75.55 O ATOM 920 CB ASP A 57 12.203 -9.571 -4.303 1.00 55.13 C ATOM 921 CG ASP A 57 12.630 -10.351 -3.046 1.00 54.40 C ATOM 922 OD1 ASP A 57 12.014 -11.392 -2.733 1.00 33.51 O ATOM 923 OD2 ASP A 57 13.571 -9.915 -2.355 1.00 32.11 O ATOM 0 H ASP A 57 9.816 -10.343 -3.938 1.00 51.32 H new ATOM 0 HA ASP A 57 11.236 -8.009 -3.181 1.00 61.11 H new ATOM 0 HB2 ASP A 57 11.935 -10.280 -5.086 1.00 55.13 H new ATOM 0 HB3 ASP A 57 13.054 -8.997 -4.670 1.00 55.13 H new ATOM 928 N THR A 58 10.226 -8.220 -6.362 1.00 60.23 N ATOM 929 CA THR A 58 9.917 -7.461 -7.592 1.00 43.34 C ATOM 930 C THR A 58 8.929 -6.323 -7.279 1.00 23.43 C ATOM 931 O THR A 58 9.113 -5.177 -7.705 1.00 74.43 O ATOM 932 CB THR A 58 9.318 -8.396 -8.698 1.00 73.32 C ATOM 933 OG1 THR A 58 10.248 -9.451 -8.991 1.00 72.42 O ATOM 934 CG2 THR A 58 8.958 -7.625 -9.990 1.00 65.22 C ATOM 0 H THR A 58 9.941 -9.198 -6.405 1.00 60.23 H new ATOM 0 HA THR A 58 10.848 -7.037 -7.969 1.00 43.34 H new ATOM 0 HB THR A 58 8.390 -8.816 -8.310 1.00 73.32 H new ATOM 0 HG1 THR A 58 9.872 -10.036 -9.681 1.00 72.42 H new ATOM 0 HG21 THR A 58 8.547 -8.318 -10.725 1.00 65.22 H new ATOM 0 HG22 THR A 58 8.218 -6.858 -9.762 1.00 65.22 H new ATOM 0 HG23 THR A 58 9.854 -7.156 -10.395 1.00 65.22 H new ATOM 942 N LEU A 59 7.912 -6.683 -6.475 1.00 61.24 N ATOM 943 CA LEU A 59 6.855 -5.782 -6.010 1.00 4.55 C ATOM 944 C LEU A 59 7.448 -4.598 -5.239 1.00 43.42 C ATOM 945 O LEU A 59 7.160 -3.452 -5.558 1.00 25.13 O ATOM 946 CB LEU A 59 5.855 -6.579 -5.130 1.00 31.45 C ATOM 947 CG LEU A 59 4.660 -5.788 -4.506 1.00 53.01 C ATOM 948 CD1 LEU A 59 3.813 -5.048 -5.566 1.00 13.53 C ATOM 949 CD2 LEU A 59 3.786 -6.733 -3.675 1.00 12.11 C ATOM 0 H LEU A 59 7.805 -7.635 -6.125 1.00 61.24 H new ATOM 0 HA LEU A 59 6.324 -5.375 -6.871 1.00 4.55 H new ATOM 0 HB2 LEU A 59 5.445 -7.388 -5.734 1.00 31.45 H new ATOM 0 HB3 LEU A 59 6.415 -7.041 -4.317 1.00 31.45 H new ATOM 0 HG LEU A 59 5.082 -5.020 -3.858 1.00 53.01 H new ATOM 0 HD11 LEU A 59 2.998 -4.517 -5.074 1.00 13.53 H new ATOM 0 HD12 LEU A 59 4.441 -4.335 -6.101 1.00 13.53 H new ATOM 0 HD13 LEU A 59 3.402 -5.770 -6.272 1.00 13.53 H new ATOM 0 HD21 LEU A 59 2.955 -6.175 -3.243 1.00 12.11 H new ATOM 0 HD22 LEU A 59 3.397 -7.526 -4.314 1.00 12.11 H new ATOM 0 HD23 LEU A 59 4.383 -7.172 -2.875 1.00 12.11 H new ATOM 961 N GLN A 60 8.342 -4.913 -4.282 1.00 14.54 N ATOM 962 CA GLN A 60 8.930 -3.933 -3.351 1.00 1.14 C ATOM 963 C GLN A 60 9.838 -2.945 -4.100 1.00 0.44 C ATOM 964 O GLN A 60 9.809 -1.739 -3.827 1.00 32.30 O ATOM 965 CB GLN A 60 9.699 -4.692 -2.229 1.00 52.54 C ATOM 966 CG GLN A 60 10.143 -3.833 -1.015 1.00 42.20 C ATOM 967 CD GLN A 60 11.415 -3.010 -1.259 1.00 20.21 C ATOM 968 OE1 GLN A 60 12.314 -3.430 -1.997 1.00 71.23 O ATOM 969 NE2 GLN A 60 11.498 -1.834 -0.665 1.00 11.44 N ATOM 0 H GLN A 60 8.679 -5.864 -4.133 1.00 14.54 H new ATOM 0 HA GLN A 60 8.137 -3.344 -2.890 1.00 1.14 H new ATOM 0 HB2 GLN A 60 9.067 -5.502 -1.865 1.00 52.54 H new ATOM 0 HB3 GLN A 60 10.584 -5.151 -2.668 1.00 52.54 H new ATOM 0 HG2 GLN A 60 9.332 -3.156 -0.747 1.00 42.20 H new ATOM 0 HG3 GLN A 60 10.307 -4.489 -0.160 1.00 42.20 H new ATOM 0 HE21 GLN A 60 10.741 -1.513 -0.061 1.00 11.44 H new ATOM 0 HE22 GLN A 60 12.319 -1.246 -0.810 1.00 11.44 H new ATOM 978 N MET A 61 10.643 -3.473 -5.042 1.00 65.22 N ATOM 979 CA MET A 61 11.534 -2.649 -5.876 1.00 25.15 C ATOM 980 C MET A 61 10.731 -1.704 -6.785 1.00 23.04 C ATOM 981 O MET A 61 11.125 -0.554 -6.981 1.00 14.23 O ATOM 982 CB MET A 61 12.502 -3.538 -6.708 1.00 42.42 C ATOM 983 CG MET A 61 13.561 -4.259 -5.868 1.00 54.02 C ATOM 984 SD MET A 61 14.721 -5.230 -6.860 1.00 22.52 S ATOM 985 CE MET A 61 13.671 -6.538 -7.499 1.00 4.33 C ATOM 0 H MET A 61 10.693 -4.472 -5.244 1.00 65.22 H new ATOM 0 HA MET A 61 12.136 -2.033 -5.208 1.00 25.15 H new ATOM 0 HB2 MET A 61 11.919 -4.280 -7.254 1.00 42.42 H new ATOM 0 HB3 MET A 61 13.003 -2.916 -7.450 1.00 42.42 H new ATOM 0 HG2 MET A 61 14.117 -3.523 -5.288 1.00 54.02 H new ATOM 0 HG3 MET A 61 13.064 -4.917 -5.155 1.00 54.02 H new ATOM 0 HE1 MET A 61 14.278 -7.254 -8.052 1.00 4.33 H new ATOM 0 HE2 MET A 61 13.176 -7.045 -6.670 1.00 4.33 H new ATOM 0 HE3 MET A 61 12.920 -6.110 -8.163 1.00 4.33 H new ATOM 995 N ALA A 62 9.578 -2.185 -7.291 1.00 51.51 N ATOM 996 CA ALA A 62 8.691 -1.383 -8.153 1.00 72.35 C ATOM 997 C ALA A 62 7.971 -0.302 -7.324 1.00 74.11 C ATOM 998 O ALA A 62 7.808 0.837 -7.780 1.00 13.33 O ATOM 999 CB ALA A 62 7.678 -2.290 -8.862 1.00 60.51 C ATOM 0 H ALA A 62 9.239 -3.131 -7.115 1.00 51.51 H new ATOM 0 HA ALA A 62 9.295 -0.885 -8.911 1.00 72.35 H new ATOM 0 HB1 ALA A 62 7.029 -1.685 -9.495 1.00 60.51 H new ATOM 0 HB2 ALA A 62 8.209 -3.018 -9.476 1.00 60.51 H new ATOM 0 HB3 ALA A 62 7.075 -2.813 -8.119 1.00 60.51 H new ATOM 1005 N LEU A 63 7.587 -0.682 -6.080 1.00 35.43 N ATOM 1006 CA LEU A 63 6.954 0.226 -5.103 1.00 61.21 C ATOM 1007 C LEU A 63 7.894 1.391 -4.776 1.00 44.05 C ATOM 1008 O LEU A 63 7.476 2.548 -4.753 1.00 43.54 O ATOM 1009 CB LEU A 63 6.567 -0.545 -3.803 1.00 63.33 C ATOM 1010 CG LEU A 63 5.375 -1.550 -3.942 1.00 31.03 C ATOM 1011 CD1 LEU A 63 5.258 -2.456 -2.701 1.00 74.25 C ATOM 1012 CD2 LEU A 63 4.048 -0.812 -4.234 1.00 44.51 C ATOM 0 H LEU A 63 7.710 -1.632 -5.729 1.00 35.43 H new ATOM 0 HA LEU A 63 6.042 0.627 -5.545 1.00 61.21 H new ATOM 0 HB2 LEU A 63 7.442 -1.093 -3.453 1.00 63.33 H new ATOM 0 HB3 LEU A 63 6.317 0.183 -3.031 1.00 63.33 H new ATOM 0 HG LEU A 63 5.584 -2.194 -4.796 1.00 31.03 H new ATOM 0 HD11 LEU A 63 4.421 -3.142 -2.829 1.00 74.25 H new ATOM 0 HD12 LEU A 63 6.179 -3.026 -2.579 1.00 74.25 H new ATOM 0 HD13 LEU A 63 5.091 -1.841 -1.816 1.00 74.25 H new ATOM 0 HD21 LEU A 63 3.240 -1.538 -4.325 1.00 44.51 H new ATOM 0 HD22 LEU A 63 3.827 -0.124 -3.418 1.00 44.51 H new ATOM 0 HD23 LEU A 63 4.140 -0.253 -5.165 1.00 44.51 H new ATOM 1024 N GLN A 64 9.176 1.058 -4.573 1.00 14.42 N ATOM 1025 CA GLN A 64 10.240 2.039 -4.349 1.00 24.23 C ATOM 1026 C GLN A 64 10.360 3.035 -5.533 1.00 43.51 C ATOM 1027 O GLN A 64 10.527 4.237 -5.303 1.00 62.34 O ATOM 1028 CB GLN A 64 11.586 1.309 -4.073 1.00 45.14 C ATOM 1029 CG GLN A 64 12.771 2.246 -3.741 1.00 30.24 C ATOM 1030 CD GLN A 64 12.522 3.186 -2.546 1.00 31.33 C ATOM 1031 OE1 GLN A 64 11.820 2.853 -1.587 1.00 75.22 O ATOM 1032 NE2 GLN A 64 13.079 4.383 -2.608 1.00 53.34 N ATOM 0 H GLN A 64 9.504 0.092 -4.560 1.00 14.42 H new ATOM 0 HA GLN A 64 9.983 2.631 -3.470 1.00 24.23 H new ATOM 0 HB2 GLN A 64 11.445 0.616 -3.244 1.00 45.14 H new ATOM 0 HB3 GLN A 64 11.846 0.712 -4.947 1.00 45.14 H new ATOM 0 HG2 GLN A 64 13.652 1.639 -3.533 1.00 30.24 H new ATOM 0 HG3 GLN A 64 13.000 2.848 -4.620 1.00 30.24 H new ATOM 0 HE21 GLN A 64 13.655 4.636 -3.410 1.00 53.34 H new ATOM 0 HE22 GLN A 64 12.932 5.053 -1.853 1.00 53.34 H new ATOM 1041 N VAL A 65 10.196 2.544 -6.794 1.00 11.03 N ATOM 1042 CA VAL A 65 10.255 3.408 -8.002 1.00 25.33 C ATOM 1043 C VAL A 65 9.121 4.458 -7.995 1.00 63.01 C ATOM 1044 O VAL A 65 9.320 5.615 -8.396 1.00 51.32 O ATOM 1045 CB VAL A 65 10.166 2.562 -9.332 1.00 41.33 C ATOM 1046 CG1 VAL A 65 10.144 3.466 -10.592 1.00 22.34 C ATOM 1047 CG2 VAL A 65 11.315 1.534 -9.417 1.00 74.24 C ATOM 0 H VAL A 65 10.023 1.559 -6.996 1.00 11.03 H new ATOM 0 HA VAL A 65 11.219 3.916 -7.973 1.00 25.33 H new ATOM 0 HB VAL A 65 9.222 2.018 -9.302 1.00 41.33 H new ATOM 0 HG11 VAL A 65 10.082 2.844 -11.485 1.00 22.34 H new ATOM 0 HG12 VAL A 65 9.279 4.128 -10.550 1.00 22.34 H new ATOM 0 HG13 VAL A 65 11.056 4.063 -10.628 1.00 22.34 H new ATOM 0 HG21 VAL A 65 11.227 0.966 -10.343 1.00 74.24 H new ATOM 0 HG22 VAL A 65 12.272 2.056 -9.400 1.00 74.24 H new ATOM 0 HG23 VAL A 65 11.258 0.853 -8.568 1.00 74.24 H new ATOM 1057 N VAL A 66 7.948 4.049 -7.481 1.00 63.30 N ATOM 1058 CA VAL A 66 6.740 4.903 -7.452 1.00 64.12 C ATOM 1059 C VAL A 66 6.578 5.601 -6.079 1.00 2.14 C ATOM 1060 O VAL A 66 5.498 6.130 -5.767 1.00 44.24 O ATOM 1061 CB VAL A 66 5.453 4.079 -7.848 1.00 64.13 C ATOM 1062 CG1 VAL A 66 5.583 3.485 -9.272 1.00 64.22 C ATOM 1063 CG2 VAL A 66 5.153 2.966 -6.829 1.00 71.42 C ATOM 0 H VAL A 66 7.807 3.124 -7.076 1.00 63.30 H new ATOM 0 HA VAL A 66 6.865 5.688 -8.198 1.00 64.12 H new ATOM 0 HB VAL A 66 4.615 4.776 -7.840 1.00 64.13 H new ATOM 0 HG11 VAL A 66 4.681 2.923 -9.516 1.00 64.22 H new ATOM 0 HG12 VAL A 66 5.713 4.292 -9.993 1.00 64.22 H new ATOM 0 HG13 VAL A 66 6.446 2.821 -9.312 1.00 64.22 H new ATOM 0 HG21 VAL A 66 4.260 2.422 -7.137 1.00 71.42 H new ATOM 0 HG22 VAL A 66 5.998 2.279 -6.781 1.00 71.42 H new ATOM 0 HG23 VAL A 66 4.988 3.407 -5.846 1.00 71.42 H new ATOM 1073 N ASN A 67 7.689 5.623 -5.292 1.00 32.13 N ATOM 1074 CA ASN A 67 7.809 6.400 -4.032 1.00 45.41 C ATOM 1075 C ASN A 67 6.843 5.905 -2.946 1.00 44.20 C ATOM 1076 O ASN A 67 6.259 6.688 -2.189 1.00 32.42 O ATOM 1077 CB ASN A 67 7.635 7.930 -4.292 1.00 63.34 C ATOM 1078 CG ASN A 67 8.737 8.532 -5.169 1.00 74.52 C ATOM 1079 OD1 ASN A 67 9.314 7.863 -6.030 1.00 24.41 O ATOM 1080 ND2 ASN A 67 9.046 9.801 -4.964 1.00 54.43 N ATOM 0 H ASN A 67 8.532 5.096 -5.519 1.00 32.13 H new ATOM 0 HA ASN A 67 8.818 6.235 -3.654 1.00 45.41 H new ATOM 0 HB2 ASN A 67 6.669 8.102 -4.767 1.00 63.34 H new ATOM 0 HB3 ASN A 67 7.617 8.453 -3.336 1.00 63.34 H new ATOM 0 HD21 ASN A 67 9.774 10.245 -5.523 1.00 54.43 H new ATOM 0 HD22 ASN A 67 8.556 10.336 -4.247 1.00 54.43 H new ATOM 1087 N ILE A 68 6.687 4.589 -2.882 1.00 2.30 N ATOM 1088 CA ILE A 68 5.970 3.912 -1.803 1.00 2.13 C ATOM 1089 C ILE A 68 7.006 3.357 -0.814 1.00 71.44 C ATOM 1090 O ILE A 68 7.739 2.423 -1.152 1.00 5.35 O ATOM 1091 CB ILE A 68 5.069 2.745 -2.350 1.00 15.23 C ATOM 1092 CG1 ILE A 68 4.065 3.265 -3.427 1.00 53.25 C ATOM 1093 CG2 ILE A 68 4.337 2.018 -1.202 1.00 43.44 C ATOM 1094 CD1 ILE A 68 3.122 4.347 -2.961 1.00 61.13 C ATOM 0 H ILE A 68 7.059 3.951 -3.586 1.00 2.30 H new ATOM 0 HA ILE A 68 5.310 4.626 -1.310 1.00 2.13 H new ATOM 0 HB ILE A 68 5.723 2.019 -2.833 1.00 15.23 H new ATOM 0 HG12 ILE A 68 4.633 3.643 -4.277 1.00 53.25 H new ATOM 0 HG13 ILE A 68 3.475 2.422 -3.787 1.00 53.25 H new ATOM 0 HG21 ILE A 68 3.722 1.217 -1.612 1.00 43.44 H new ATOM 0 HG22 ILE A 68 5.069 1.597 -0.513 1.00 43.44 H new ATOM 0 HG23 ILE A 68 3.702 2.726 -0.669 1.00 43.44 H new ATOM 0 HD11 ILE A 68 2.468 4.638 -3.783 1.00 61.13 H new ATOM 0 HD12 ILE A 68 2.520 3.973 -2.133 1.00 61.13 H new ATOM 0 HD13 ILE A 68 3.696 5.213 -2.631 1.00 61.13 H new ATOM 1106 N GLN A 69 7.084 3.971 0.373 1.00 73.13 N ATOM 1107 CA GLN A 69 7.955 3.514 1.460 1.00 53.15 C ATOM 1108 C GLN A 69 7.337 2.251 2.085 1.00 10.30 C ATOM 1109 O GLN A 69 6.210 2.296 2.568 1.00 21.43 O ATOM 1110 CB GLN A 69 8.122 4.653 2.520 1.00 12.34 C ATOM 1111 CG GLN A 69 9.289 4.455 3.525 1.00 62.24 C ATOM 1112 CD GLN A 69 9.074 3.409 4.630 1.00 25.34 C ATOM 1113 OE1 GLN A 69 10.014 2.723 5.043 1.00 4.43 O ATOM 1114 NE2 GLN A 69 7.871 3.325 5.173 1.00 72.00 N ATOM 0 H GLN A 69 6.542 4.803 0.606 1.00 73.13 H new ATOM 0 HA GLN A 69 8.946 3.270 1.079 1.00 53.15 H new ATOM 0 HB2 GLN A 69 8.272 5.597 1.995 1.00 12.34 H new ATOM 0 HB3 GLN A 69 7.192 4.744 3.081 1.00 12.34 H new ATOM 0 HG2 GLN A 69 10.180 4.178 2.962 1.00 62.24 H new ATOM 0 HG3 GLN A 69 9.497 5.414 3.999 1.00 62.24 H new ATOM 0 HE21 GLN A 69 7.109 3.901 4.816 1.00 72.00 H new ATOM 0 HE22 GLN A 69 7.705 2.684 5.949 1.00 72.00 H new ATOM 1123 N THR A 70 8.083 1.144 2.115 1.00 0.41 N ATOM 1124 CA THR A 70 7.572 -0.118 2.655 1.00 44.32 C ATOM 1125 C THR A 70 7.901 -0.159 4.151 1.00 51.21 C ATOM 1126 O THR A 70 9.075 -0.122 4.533 1.00 73.12 O ATOM 1127 CB THR A 70 8.183 -1.354 1.914 1.00 73.04 C ATOM 1128 OG1 THR A 70 7.868 -1.277 0.511 1.00 12.53 O ATOM 1129 CG2 THR A 70 7.656 -2.693 2.470 1.00 44.33 C ATOM 0 H THR A 70 9.042 1.096 1.772 1.00 0.41 H new ATOM 0 HA THR A 70 6.494 -0.169 2.503 1.00 44.32 H new ATOM 0 HB THR A 70 9.261 -1.326 2.073 1.00 73.04 H new ATOM 0 HG1 THR A 70 7.645 -2.171 0.176 1.00 12.53 H new ATOM 0 HG21 THR A 70 8.110 -3.519 1.922 1.00 44.33 H new ATOM 0 HG22 THR A 70 7.912 -2.774 3.526 1.00 44.33 H new ATOM 0 HG23 THR A 70 6.573 -2.734 2.355 1.00 44.33 H new ATOM 1137 N ILE A 71 6.855 -0.157 4.986 1.00 43.13 N ATOM 1138 CA ILE A 71 6.979 -0.296 6.447 1.00 3.20 C ATOM 1139 C ILE A 71 7.520 -1.693 6.770 1.00 62.24 C ATOM 1140 O ILE A 71 8.581 -1.854 7.383 1.00 65.22 O ATOM 1141 CB ILE A 71 5.578 -0.119 7.140 1.00 14.43 C ATOM 1142 CG1 ILE A 71 4.941 1.246 6.763 1.00 45.41 C ATOM 1143 CG2 ILE A 71 5.665 -0.310 8.683 1.00 5.21 C ATOM 1144 CD1 ILE A 71 5.619 2.434 7.383 1.00 54.34 C ATOM 0 H ILE A 71 5.891 -0.058 4.667 1.00 43.13 H new ATOM 0 HA ILE A 71 7.657 0.472 6.818 1.00 3.20 H new ATOM 0 HB ILE A 71 4.923 -0.905 6.764 1.00 14.43 H new ATOM 0 HG12 ILE A 71 4.960 1.356 5.679 1.00 45.41 H new ATOM 0 HG13 ILE A 71 3.894 1.241 7.065 1.00 45.41 H new ATOM 0 HG21 ILE A 71 4.676 -0.179 9.122 1.00 5.21 H new ATOM 0 HG22 ILE A 71 6.031 -1.312 8.905 1.00 5.21 H new ATOM 0 HG23 ILE A 71 6.349 0.428 9.103 1.00 5.21 H new ATOM 0 HD11 ILE A 71 5.113 3.347 7.069 1.00 54.34 H new ATOM 0 HD12 ILE A 71 5.577 2.351 8.469 1.00 54.34 H new ATOM 0 HD13 ILE A 71 6.660 2.468 7.062 1.00 54.34 H new ATOM 1156 N ALA A 72 6.782 -2.695 6.289 1.00 22.43 N ATOM 1157 CA ALA A 72 7.050 -4.106 6.555 1.00 51.34 C ATOM 1158 C ALA A 72 6.542 -4.935 5.379 1.00 23.31 C ATOM 1159 O ALA A 72 5.683 -4.476 4.613 1.00 12.23 O ATOM 1160 CB ALA A 72 6.368 -4.530 7.869 1.00 70.55 C ATOM 0 H ALA A 72 5.968 -2.544 5.694 1.00 22.43 H new ATOM 0 HA ALA A 72 8.122 -4.271 6.666 1.00 51.34 H new ATOM 0 HB1 ALA A 72 6.572 -5.583 8.061 1.00 70.55 H new ATOM 0 HB2 ALA A 72 6.757 -3.929 8.691 1.00 70.55 H new ATOM 0 HB3 ALA A 72 5.292 -4.378 7.786 1.00 70.55 H new ATOM 1166 N MET A 73 7.097 -6.136 5.224 1.00 34.32 N ATOM 1167 CA MET A 73 6.696 -7.075 4.174 1.00 54.13 C ATOM 1168 C MET A 73 7.082 -8.494 4.596 1.00 64.05 C ATOM 1169 O MET A 73 8.172 -8.700 5.138 1.00 4.43 O ATOM 1170 CB MET A 73 7.359 -6.688 2.819 1.00 5.22 C ATOM 1171 CG MET A 73 6.955 -7.575 1.635 1.00 62.22 C ATOM 1172 SD MET A 73 7.500 -6.929 0.033 1.00 61.54 S ATOM 1173 CE MET A 73 6.524 -5.427 -0.102 1.00 64.45 C ATOM 0 H MET A 73 7.842 -6.488 5.826 1.00 34.32 H new ATOM 0 HA MET A 73 5.616 -7.032 4.035 1.00 54.13 H new ATOM 0 HB2 MET A 73 7.103 -5.655 2.586 1.00 5.22 H new ATOM 0 HB3 MET A 73 8.442 -6.730 2.934 1.00 5.22 H new ATOM 0 HG2 MET A 73 7.373 -8.571 1.778 1.00 62.22 H new ATOM 0 HG3 MET A 73 5.870 -7.683 1.625 1.00 62.22 H new ATOM 0 HE1 MET A 73 6.016 -5.409 -1.066 1.00 64.45 H new ATOM 0 HE2 MET A 73 5.784 -5.400 0.698 1.00 64.45 H new ATOM 0 HE3 MET A 73 7.178 -4.559 -0.020 1.00 64.45 H new ATOM 1183 N SER A 74 6.189 -9.465 4.361 1.00 74.24 N ATOM 1184 CA SER A 74 6.449 -10.878 4.689 1.00 42.51 C ATOM 1185 C SER A 74 7.409 -11.513 3.669 1.00 14.40 C ATOM 1186 O SER A 74 7.700 -10.930 2.608 1.00 12.45 O ATOM 1187 CB SER A 74 5.118 -11.663 4.763 1.00 5.42 C ATOM 1188 OG SER A 74 4.280 -11.129 5.760 1.00 52.53 O ATOM 0 H SER A 74 5.274 -9.298 3.942 1.00 74.24 H new ATOM 0 HA SER A 74 6.930 -10.923 5.666 1.00 42.51 H new ATOM 0 HB2 SER A 74 4.613 -11.624 3.798 1.00 5.42 H new ATOM 0 HB3 SER A 74 5.321 -12.713 4.975 1.00 5.42 H new ATOM 0 HG SER A 74 4.002 -10.225 5.504 1.00 52.53 H new ATOM 1194 N ARG A 75 7.862 -12.729 3.997 1.00 54.45 N ATOM 1195 CA ARG A 75 8.842 -13.472 3.207 1.00 71.53 C ATOM 1196 C ARG A 75 8.174 -14.077 1.963 1.00 63.51 C ATOM 1197 O ARG A 75 6.994 -14.467 1.997 1.00 3.10 O ATOM 1198 CB ARG A 75 9.505 -14.559 4.101 1.00 53.13 C ATOM 1199 CG ARG A 75 10.361 -13.972 5.250 1.00 63.15 C ATOM 1200 CD ARG A 75 10.997 -15.035 6.160 1.00 63.11 C ATOM 1201 NE ARG A 75 11.979 -14.443 7.098 1.00 72.12 N ATOM 1202 CZ ARG A 75 11.844 -14.354 8.434 1.00 2.12 C ATOM 1203 NH1 ARG A 75 10.760 -14.824 9.055 1.00 72.15 N ATOM 1204 NH2 ARG A 75 12.820 -13.804 9.146 1.00 45.35 N ATOM 0 H ARG A 75 7.552 -13.228 4.831 1.00 54.45 H new ATOM 0 HA ARG A 75 9.624 -12.799 2.855 1.00 71.53 H new ATOM 0 HB2 ARG A 75 8.727 -15.194 4.525 1.00 53.13 H new ATOM 0 HB3 ARG A 75 10.133 -15.197 3.479 1.00 53.13 H new ATOM 0 HG2 ARG A 75 11.151 -13.355 4.822 1.00 63.15 H new ATOM 0 HG3 ARG A 75 9.737 -13.316 5.856 1.00 63.15 H new ATOM 0 HD2 ARG A 75 10.216 -15.543 6.725 1.00 63.11 H new ATOM 0 HD3 ARG A 75 11.490 -15.790 5.547 1.00 63.11 H new ATOM 0 HE ARG A 75 12.837 -14.068 6.694 1.00 72.12 H new ATOM 0 HH11 ARG A 75 10.013 -15.261 8.516 1.00 72.15 H new ATOM 0 HH12 ARG A 75 10.679 -14.746 10.069 1.00 72.15 H new ATOM 0 HH21 ARG A 75 13.658 -13.456 8.680 1.00 45.35 H new ATOM 0 HH22 ARG A 75 12.732 -13.729 10.159 1.00 45.35 H new ATOM 1218 N ALA A 76 8.938 -14.111 0.858 1.00 12.53 N ATOM 1219 CA ALA A 76 8.499 -14.668 -0.428 1.00 40.14 C ATOM 1220 C ALA A 76 8.197 -16.165 -0.289 1.00 2.55 C ATOM 1221 O ALA A 76 8.996 -16.904 0.298 1.00 2.10 O ATOM 1222 CB ALA A 76 9.576 -14.424 -1.506 1.00 32.13 C ATOM 0 H ALA A 76 9.890 -13.747 0.835 1.00 12.53 H new ATOM 0 HA ALA A 76 7.582 -14.165 -0.735 1.00 40.14 H new ATOM 0 HB1 ALA A 76 9.241 -14.841 -2.456 1.00 32.13 H new ATOM 0 HB2 ALA A 76 9.742 -13.353 -1.618 1.00 32.13 H new ATOM 0 HB3 ALA A 76 10.507 -14.906 -1.206 1.00 32.13 H new ATOM 1228 N GLY A 77 7.034 -16.602 -0.815 1.00 1.31 N ATOM 1229 CA GLY A 77 6.581 -17.984 -0.684 1.00 10.11 C ATOM 1230 C GLY A 77 5.717 -18.225 0.552 1.00 61.05 C ATOM 1231 O GLY A 77 4.964 -19.206 0.596 1.00 71.51 O ATOM 0 H GLY A 77 6.393 -16.004 -1.337 1.00 1.31 H new ATOM 0 HA2 GLY A 77 6.014 -18.258 -1.574 1.00 10.11 H new ATOM 0 HA3 GLY A 77 7.450 -18.641 -0.644 1.00 10.11 H new ATOM 1235 N SER A 78 5.825 -17.336 1.556 1.00 44.34 N ATOM 1236 CA SER A 78 5.115 -17.473 2.832 1.00 51.44 C ATOM 1237 C SER A 78 3.727 -16.787 2.769 1.00 34.44 C ATOM 1238 O SER A 78 3.643 -15.575 2.554 1.00 24.31 O ATOM 1239 CB SER A 78 5.982 -16.851 3.950 1.00 10.12 C ATOM 1240 OG SER A 78 5.399 -17.025 5.233 1.00 43.12 O ATOM 0 H SER A 78 6.410 -16.502 1.501 1.00 44.34 H new ATOM 0 HA SER A 78 4.947 -18.529 3.043 1.00 51.44 H new ATOM 0 HB2 SER A 78 6.972 -17.306 3.937 1.00 10.12 H new ATOM 0 HB3 SER A 78 6.118 -15.787 3.754 1.00 10.12 H new ATOM 0 HG SER A 78 5.977 -16.620 5.913 1.00 43.12 H new ATOM 1246 N ARG A 79 2.654 -17.584 2.958 1.00 24.04 N ATOM 1247 CA ARG A 79 1.256 -17.094 3.073 1.00 13.33 C ATOM 1248 C ARG A 79 0.711 -17.427 4.490 1.00 52.33 C ATOM 1249 O ARG A 79 1.093 -18.455 5.047 1.00 0.41 O ATOM 1250 CB ARG A 79 0.321 -17.715 1.987 1.00 33.21 C ATOM 1251 CG ARG A 79 0.532 -17.214 0.535 1.00 41.34 C ATOM 1252 CD ARG A 79 1.822 -17.741 -0.120 1.00 34.24 C ATOM 1253 NE ARG A 79 1.938 -17.348 -1.528 1.00 35.44 N ATOM 1254 CZ ARG A 79 2.830 -17.852 -2.391 1.00 33.13 C ATOM 1255 NH1 ARG A 79 3.694 -18.801 -2.019 1.00 65.33 N ATOM 1256 NH2 ARG A 79 2.831 -17.440 -3.643 1.00 13.20 N ATOM 0 H ARG A 79 2.731 -18.598 3.036 1.00 24.04 H new ATOM 0 HA ARG A 79 1.266 -16.016 2.914 1.00 13.33 H new ATOM 0 HB2 ARG A 79 0.453 -18.797 1.999 1.00 33.21 H new ATOM 0 HB3 ARG A 79 -0.713 -17.517 2.271 1.00 33.21 H new ATOM 0 HG2 ARG A 79 -0.322 -17.515 -0.072 1.00 41.34 H new ATOM 0 HG3 ARG A 79 0.554 -16.124 0.536 1.00 41.34 H new ATOM 0 HD2 ARG A 79 2.685 -17.366 0.431 1.00 34.24 H new ATOM 0 HD3 ARG A 79 1.845 -18.828 -0.047 1.00 34.24 H new ATOM 0 HE ARG A 79 1.292 -16.639 -1.876 1.00 35.44 H new ATOM 0 HH11 ARG A 79 3.682 -19.155 -1.062 1.00 65.33 H new ATOM 0 HH12 ARG A 79 4.365 -19.172 -2.692 1.00 65.33 H new ATOM 0 HH21 ARG A 79 2.155 -16.741 -3.950 1.00 13.20 H new ATOM 0 HH22 ARG A 79 3.508 -17.820 -4.304 1.00 13.20 H new ATOM 1270 N PRO A 80 -0.191 -16.594 5.114 1.00 33.02 N ATOM 1271 CA PRO A 80 -0.720 -15.326 4.545 1.00 13.25 C ATOM 1272 C PRO A 80 0.326 -14.196 4.506 1.00 50.12 C ATOM 1273 O PRO A 80 0.753 -13.682 5.543 1.00 64.04 O ATOM 1274 CB PRO A 80 -1.894 -14.976 5.484 1.00 34.15 C ATOM 1275 CG PRO A 80 -1.527 -15.594 6.801 1.00 2.20 C ATOM 1276 CD PRO A 80 -0.782 -16.869 6.461 1.00 45.42 C ATOM 0 HA PRO A 80 -1.016 -15.442 3.502 1.00 13.25 H new ATOM 0 HB2 PRO A 80 -2.020 -13.897 5.575 1.00 34.15 H new ATOM 0 HB3 PRO A 80 -2.835 -15.377 5.107 1.00 34.15 H new ATOM 0 HG2 PRO A 80 -0.903 -14.921 7.389 1.00 2.20 H new ATOM 0 HG3 PRO A 80 -2.416 -15.806 7.395 1.00 2.20 H new ATOM 0 HD2 PRO A 80 -0.010 -17.089 7.198 1.00 45.42 H new ATOM 0 HD3 PRO A 80 -1.452 -17.728 6.435 1.00 45.42 H new ATOM 1284 N TRP A 81 0.735 -13.849 3.283 1.00 21.11 N ATOM 1285 CA TRP A 81 1.725 -12.813 3.029 1.00 42.42 C ATOM 1286 C TRP A 81 1.120 -11.436 3.345 1.00 65.11 C ATOM 1287 O TRP A 81 0.184 -11.009 2.691 1.00 63.54 O ATOM 1288 CB TRP A 81 2.195 -12.902 1.558 1.00 23.03 C ATOM 1289 CG TRP A 81 3.218 -11.860 1.170 1.00 52.55 C ATOM 1290 CD1 TRP A 81 4.573 -11.925 1.323 1.00 61.13 C ATOM 1291 CD2 TRP A 81 2.950 -10.598 0.559 1.00 3.34 C ATOM 1292 NE1 TRP A 81 5.154 -10.770 0.864 1.00 51.32 N ATOM 1293 CE2 TRP A 81 4.177 -9.953 0.368 1.00 55.04 C ATOM 1294 CE3 TRP A 81 1.784 -9.967 0.141 1.00 60.53 C ATOM 1295 CZ2 TRP A 81 4.269 -8.702 -0.222 1.00 51.23 C ATOM 1296 CZ3 TRP A 81 1.877 -8.730 -0.436 1.00 61.30 C ATOM 1297 CH2 TRP A 81 3.111 -8.107 -0.617 1.00 2.22 C ATOM 0 H TRP A 81 0.380 -14.289 2.434 1.00 21.11 H new ATOM 0 HA TRP A 81 2.593 -12.956 3.673 1.00 42.42 H new ATOM 0 HB2 TRP A 81 2.617 -13.892 1.382 1.00 23.03 H new ATOM 0 HB3 TRP A 81 1.328 -12.804 0.905 1.00 23.03 H new ATOM 0 HD1 TRP A 81 5.109 -12.763 1.744 1.00 61.13 H new ATOM 0 HE1 TRP A 81 6.151 -10.556 0.889 1.00 51.32 H new ATOM 0 HE3 TRP A 81 0.824 -10.444 0.269 1.00 60.53 H new ATOM 0 HZ2 TRP A 81 5.224 -8.218 -0.363 1.00 51.23 H new ATOM 0 HZ3 TRP A 81 0.977 -8.226 -0.757 1.00 61.30 H new ATOM 0 HH2 TRP A 81 3.148 -7.132 -1.080 1.00 2.22 H new ATOM 1308 N LYS A 82 1.649 -10.773 4.363 1.00 42.34 N ATOM 1309 CA LYS A 82 1.207 -9.440 4.789 1.00 60.41 C ATOM 1310 C LYS A 82 2.299 -8.411 4.466 1.00 53.53 C ATOM 1311 O LYS A 82 3.486 -8.689 4.623 1.00 34.42 O ATOM 1312 CB LYS A 82 0.912 -9.490 6.309 1.00 71.43 C ATOM 1313 CG LYS A 82 0.735 -8.125 7.011 1.00 61.03 C ATOM 1314 CD LYS A 82 0.502 -8.289 8.527 1.00 55.15 C ATOM 1315 CE LYS A 82 -0.904 -8.802 8.865 1.00 13.34 C ATOM 1316 NZ LYS A 82 -1.950 -7.785 8.547 1.00 22.44 N ATOM 0 H LYS A 82 2.410 -11.147 4.930 1.00 42.34 H new ATOM 0 HA LYS A 82 0.302 -9.143 4.260 1.00 60.41 H new ATOM 0 HB2 LYS A 82 0.006 -10.076 6.464 1.00 71.43 H new ATOM 0 HB3 LYS A 82 1.725 -10.025 6.799 1.00 71.43 H new ATOM 0 HG2 LYS A 82 1.620 -7.512 6.843 1.00 61.03 H new ATOM 0 HG3 LYS A 82 -0.108 -7.595 6.568 1.00 61.03 H new ATOM 0 HD2 LYS A 82 1.242 -8.981 8.930 1.00 55.15 H new ATOM 0 HD3 LYS A 82 0.661 -7.330 9.019 1.00 55.15 H new ATOM 0 HE2 LYS A 82 -1.103 -9.716 8.306 1.00 13.34 H new ATOM 0 HE3 LYS A 82 -0.954 -9.058 9.923 1.00 13.34 H new ATOM 0 HZ1 LYS A 82 -2.866 -8.099 8.925 1.00 22.44 H new ATOM 0 HZ2 LYS A 82 -1.691 -6.875 8.978 1.00 22.44 H new ATOM 0 HZ3 LYS A 82 -2.022 -7.672 7.516 1.00 22.44 H new ATOM 1330 N ALA A 83 1.888 -7.221 4.014 1.00 50.31 N ATOM 1331 CA ALA A 83 2.794 -6.109 3.731 1.00 55.01 C ATOM 1332 C ALA A 83 2.122 -4.803 4.143 1.00 51.53 C ATOM 1333 O ALA A 83 0.934 -4.599 3.882 1.00 61.22 O ATOM 1334 CB ALA A 83 3.192 -6.079 2.245 1.00 52.24 C ATOM 0 H ALA A 83 0.908 -7.004 3.834 1.00 50.31 H new ATOM 0 HA ALA A 83 3.711 -6.241 4.305 1.00 55.01 H new ATOM 0 HB1 ALA A 83 3.866 -5.241 2.066 1.00 52.24 H new ATOM 0 HB2 ALA A 83 3.694 -7.011 1.984 1.00 52.24 H new ATOM 0 HB3 ALA A 83 2.299 -5.964 1.631 1.00 52.24 H new ATOM 1340 N TYR A 84 2.882 -3.945 4.815 1.00 3.13 N ATOM 1341 CA TYR A 84 2.455 -2.604 5.200 1.00 62.10 C ATOM 1342 C TYR A 84 3.247 -1.580 4.383 1.00 74.45 C ATOM 1343 O TYR A 84 4.481 -1.571 4.409 1.00 71.42 O ATOM 1344 CB TYR A 84 2.655 -2.401 6.720 1.00 62.44 C ATOM 1345 CG TYR A 84 1.737 -3.272 7.589 1.00 53.23 C ATOM 1346 CD1 TYR A 84 0.366 -3.371 7.311 1.00 24.53 C ATOM 1347 CD2 TYR A 84 2.223 -3.954 8.703 1.00 74.21 C ATOM 1348 CE1 TYR A 84 -0.473 -4.116 8.111 1.00 53.13 C ATOM 1349 CE2 TYR A 84 1.383 -4.706 9.500 1.00 21.11 C ATOM 1350 CZ TYR A 84 0.038 -4.780 9.202 1.00 44.13 C ATOM 1351 OH TYR A 84 -0.797 -5.519 10.008 1.00 52.00 O ATOM 0 H TYR A 84 3.832 -4.167 5.114 1.00 3.13 H new ATOM 0 HA TYR A 84 1.394 -2.470 4.991 1.00 62.10 H new ATOM 0 HB2 TYR A 84 3.693 -2.619 6.973 1.00 62.44 H new ATOM 0 HB3 TYR A 84 2.482 -1.353 6.963 1.00 62.44 H new ATOM 0 HD1 TYR A 84 -0.040 -2.854 6.454 1.00 24.53 H new ATOM 0 HD2 TYR A 84 3.273 -3.893 8.947 1.00 74.21 H new ATOM 0 HE1 TYR A 84 -1.527 -4.178 7.883 1.00 53.13 H new ATOM 0 HE2 TYR A 84 1.778 -5.235 10.355 1.00 21.11 H new ATOM 0 HH TYR A 84 -0.277 -5.925 10.733 1.00 52.00 H new ATOM 1361 N LEU A 85 2.522 -0.768 3.620 1.00 14.31 N ATOM 1362 CA LEU A 85 3.075 0.284 2.771 1.00 44.11 C ATOM 1363 C LEU A 85 2.643 1.656 3.289 1.00 73.25 C ATOM 1364 O LEU A 85 1.588 1.789 3.898 1.00 44.42 O ATOM 1365 CB LEU A 85 2.565 0.114 1.322 1.00 2.14 C ATOM 1366 CG LEU A 85 2.837 -1.256 0.636 1.00 11.25 C ATOM 1367 CD1 LEU A 85 2.311 -1.238 -0.813 1.00 35.33 C ATOM 1368 CD2 LEU A 85 4.336 -1.635 0.704 1.00 63.12 C ATOM 0 H LEU A 85 1.505 -0.825 3.573 1.00 14.31 H new ATOM 0 HA LEU A 85 4.162 0.210 2.790 1.00 44.11 H new ATOM 0 HB2 LEU A 85 1.489 0.287 1.319 1.00 2.14 H new ATOM 0 HB3 LEU A 85 3.016 0.895 0.710 1.00 2.14 H new ATOM 0 HG LEU A 85 2.296 -2.030 1.180 1.00 11.25 H new ATOM 0 HD11 LEU A 85 2.507 -2.202 -1.283 1.00 35.33 H new ATOM 0 HD12 LEU A 85 1.238 -1.048 -0.808 1.00 35.33 H new ATOM 0 HD13 LEU A 85 2.816 -0.451 -1.374 1.00 35.33 H new ATOM 0 HD21 LEU A 85 4.491 -2.597 0.216 1.00 63.12 H new ATOM 0 HD22 LEU A 85 4.928 -0.872 0.198 1.00 63.12 H new ATOM 0 HD23 LEU A 85 4.647 -1.703 1.746 1.00 63.12 H new ATOM 1380 N SER A 86 3.458 2.663 3.033 1.00 62.20 N ATOM 1381 CA SER A 86 3.156 4.054 3.368 1.00 12.33 C ATOM 1382 C SER A 86 3.714 4.971 2.276 1.00 72.32 C ATOM 1383 O SER A 86 4.687 4.623 1.603 1.00 11.34 O ATOM 1384 CB SER A 86 3.767 4.409 4.734 1.00 12.41 C ATOM 1385 OG SER A 86 5.170 4.207 4.729 1.00 65.44 O ATOM 0 H SER A 86 4.364 2.542 2.580 1.00 62.20 H new ATOM 0 HA SER A 86 2.076 4.190 3.428 1.00 12.33 H new ATOM 0 HB2 SER A 86 3.546 5.449 4.976 1.00 12.41 H new ATOM 0 HB3 SER A 86 3.310 3.796 5.511 1.00 12.41 H new ATOM 0 HG SER A 86 5.419 3.662 3.953 1.00 65.44 H new ATOM 1391 N ALA A 87 3.081 6.121 2.095 1.00 54.23 N ATOM 1392 CA ALA A 87 3.536 7.164 1.180 1.00 31.03 C ATOM 1393 C ALA A 87 3.036 8.518 1.676 1.00 12.23 C ATOM 1394 O ALA A 87 2.264 8.587 2.639 1.00 24.14 O ATOM 1395 CB ALA A 87 3.047 6.877 -0.250 1.00 4.12 C ATOM 0 H ALA A 87 2.221 6.362 2.588 1.00 54.23 H new ATOM 0 HA ALA A 87 4.626 7.180 1.155 1.00 31.03 H new ATOM 0 HB1 ALA A 87 3.395 7.664 -0.919 1.00 4.12 H new ATOM 0 HB2 ALA A 87 3.441 5.917 -0.584 1.00 4.12 H new ATOM 0 HB3 ALA A 87 1.958 6.846 -0.263 1.00 4.12 H new ATOM 1401 N GLN A 88 3.533 9.586 1.055 1.00 51.43 N ATOM 1402 CA GLN A 88 3.035 10.946 1.266 1.00 25.55 C ATOM 1403 C GLN A 88 3.344 11.768 0.017 1.00 51.14 C ATOM 1404 O GLN A 88 4.480 11.724 -0.484 1.00 1.24 O ATOM 1405 CB GLN A 88 3.673 11.586 2.521 1.00 20.21 C ATOM 1406 CG GLN A 88 3.064 12.939 2.929 1.00 63.02 C ATOM 1407 CD GLN A 88 3.661 13.537 4.204 1.00 11.24 C ATOM 1408 OE1 GLN A 88 2.968 14.206 4.968 1.00 23.53 O ATOM 1409 NE2 GLN A 88 4.959 13.335 4.428 1.00 13.12 N ATOM 0 H GLN A 88 4.300 9.532 0.385 1.00 51.43 H new ATOM 0 HA GLN A 88 1.959 10.920 1.436 1.00 25.55 H new ATOM 0 HB2 GLN A 88 3.576 10.892 3.356 1.00 20.21 H new ATOM 0 HB3 GLN A 88 4.740 11.722 2.341 1.00 20.21 H new ATOM 0 HG2 GLN A 88 3.199 13.647 2.111 1.00 63.02 H new ATOM 0 HG3 GLN A 88 1.990 12.814 3.068 1.00 63.02 H new ATOM 0 HE21 GLN A 88 5.508 12.775 3.776 1.00 13.12 H new ATOM 0 HE22 GLN A 88 5.403 13.740 5.252 1.00 13.12 H new ATOM 1418 N ASP A 89 2.353 12.504 -0.487 1.00 21.20 N ATOM 1419 CA ASP A 89 2.488 13.244 -1.746 1.00 74.20 C ATOM 1420 C ASP A 89 2.751 14.746 -1.477 1.00 63.42 C ATOM 1421 O ASP A 89 2.907 15.172 -0.321 1.00 22.13 O ATOM 1422 CB ASP A 89 1.219 13.003 -2.617 1.00 73.14 C ATOM 1423 CG ASP A 89 0.090 13.998 -2.357 1.00 51.03 C ATOM 1424 OD1 ASP A 89 -0.441 14.025 -1.231 1.00 63.32 O ATOM 1425 OD2 ASP A 89 -0.233 14.788 -3.273 1.00 24.00 O ATOM 0 H ASP A 89 1.442 12.605 -0.040 1.00 21.20 H new ATOM 0 HA ASP A 89 3.352 12.879 -2.301 1.00 74.20 H new ATOM 0 HB2 ASP A 89 1.498 13.053 -3.669 1.00 73.14 H new ATOM 0 HB3 ASP A 89 0.850 11.994 -2.432 1.00 73.14 H new ATOM 1430 N ASP A 90 2.794 15.519 -2.568 1.00 3.51 N ATOM 1431 CA ASP A 90 3.105 16.952 -2.560 1.00 34.41 C ATOM 1432 C ASP A 90 2.003 17.780 -1.853 1.00 10.05 C ATOM 1433 O ASP A 90 2.293 18.832 -1.265 1.00 1.14 O ATOM 1434 CB ASP A 90 3.312 17.408 -4.029 1.00 42.42 C ATOM 1435 CG ASP A 90 3.480 18.923 -4.207 1.00 41.22 C ATOM 1436 OD1 ASP A 90 4.591 19.442 -3.959 1.00 21.14 O ATOM 1437 OD2 ASP A 90 2.505 19.605 -4.605 1.00 52.44 O ATOM 0 H ASP A 90 2.609 15.156 -3.503 1.00 3.51 H new ATOM 0 HA ASP A 90 4.017 17.124 -1.988 1.00 34.41 H new ATOM 0 HB2 ASP A 90 4.193 16.908 -4.431 1.00 42.42 H new ATOM 0 HB3 ASP A 90 2.460 17.077 -4.622 1.00 42.42 H new ATOM 1442 N THR A 91 0.742 17.301 -1.883 1.00 73.11 N ATOM 1443 CA THR A 91 -0.372 17.991 -1.194 1.00 31.24 C ATOM 1444 C THR A 91 -0.375 17.646 0.307 1.00 45.54 C ATOM 1445 O THR A 91 -1.109 18.266 1.081 1.00 74.54 O ATOM 1446 CB THR A 91 -1.777 17.678 -1.821 1.00 13.50 C ATOM 1447 OG1 THR A 91 -2.185 16.332 -1.570 1.00 53.53 O ATOM 1448 CG2 THR A 91 -1.801 17.943 -3.334 1.00 35.35 C ATOM 0 H THR A 91 0.470 16.448 -2.371 1.00 73.11 H new ATOM 0 HA THR A 91 -0.199 19.059 -1.326 1.00 31.24 H new ATOM 0 HB THR A 91 -2.481 18.354 -1.335 1.00 13.50 H new ATOM 0 HG1 THR A 91 -1.401 15.790 -1.343 1.00 53.53 H new ATOM 0 HG21 THR A 91 -2.791 17.714 -3.728 1.00 35.35 H new ATOM 0 HG22 THR A 91 -1.569 18.991 -3.524 1.00 35.35 H new ATOM 0 HG23 THR A 91 -1.060 17.313 -3.826 1.00 35.35 H new ATOM 1456 N GLY A 92 0.460 16.653 0.704 1.00 22.42 N ATOM 1457 CA GLY A 92 0.675 16.314 2.113 1.00 12.42 C ATOM 1458 C GLY A 92 -0.221 15.203 2.623 1.00 21.42 C ATOM 1459 O GLY A 92 -0.249 14.943 3.837 1.00 5.23 O ATOM 0 H GLY A 92 0.994 16.076 0.054 1.00 22.42 H new ATOM 0 HA2 GLY A 92 1.715 16.020 2.251 1.00 12.42 H new ATOM 0 HA3 GLY A 92 0.513 17.205 2.719 1.00 12.42 H new ATOM 1463 N CYS A 93 -0.965 14.547 1.710 1.00 62.22 N ATOM 1464 CA CYS A 93 -1.817 13.400 2.064 1.00 34.24 C ATOM 1465 C CYS A 93 -0.936 12.191 2.412 1.00 55.53 C ATOM 1466 O CYS A 93 -0.093 11.792 1.613 1.00 64.53 O ATOM 1467 CB CYS A 93 -2.783 13.064 0.906 1.00 1.45 C ATOM 1468 SG CYS A 93 -3.736 14.475 0.340 1.00 52.52 S ATOM 0 H CYS A 93 -0.991 14.795 0.721 1.00 62.22 H new ATOM 0 HA CYS A 93 -2.419 13.657 2.936 1.00 34.24 H new ATOM 0 HB2 CYS A 93 -2.210 12.663 0.070 1.00 1.45 H new ATOM 0 HB3 CYS A 93 -3.467 12.279 1.229 1.00 1.45 H new ATOM 0 HG CYS A 93 -3.007 15.201 -0.455 1.00 52.52 H new ATOM 1474 N LEU A 94 -1.122 11.642 3.622 1.00 71.32 N ATOM 1475 CA LEU A 94 -0.384 10.460 4.093 1.00 71.55 C ATOM 1476 C LEU A 94 -1.199 9.207 3.687 1.00 3.22 C ATOM 1477 O LEU A 94 -2.357 9.077 4.065 1.00 23.15 O ATOM 1478 CB LEU A 94 -0.168 10.534 5.647 1.00 63.11 C ATOM 1479 CG LEU A 94 1.052 9.743 6.256 1.00 0.22 C ATOM 1480 CD1 LEU A 94 0.968 8.224 5.997 1.00 15.54 C ATOM 1481 CD2 LEU A 94 2.399 10.315 5.756 1.00 15.22 C ATOM 0 H LEU A 94 -1.789 12.006 4.302 1.00 71.32 H new ATOM 0 HA LEU A 94 0.606 10.414 3.640 1.00 71.55 H new ATOM 0 HB2 LEU A 94 -0.057 11.583 5.921 1.00 63.11 H new ATOM 0 HB3 LEU A 94 -1.076 10.173 6.129 1.00 63.11 H new ATOM 0 HG LEU A 94 1.000 9.882 7.336 1.00 0.22 H new ATOM 0 HD11 LEU A 94 1.834 7.731 6.439 1.00 15.54 H new ATOM 0 HD12 LEU A 94 0.057 7.828 6.446 1.00 15.54 H new ATOM 0 HD13 LEU A 94 0.954 8.038 4.923 1.00 15.54 H new ATOM 0 HD21 LEU A 94 3.220 9.748 6.194 1.00 15.22 H new ATOM 0 HD22 LEU A 94 2.445 10.240 4.670 1.00 15.22 H new ATOM 0 HD23 LEU A 94 2.482 11.361 6.051 1.00 15.22 H new ATOM 1493 N PHE A 95 -0.572 8.301 2.929 1.00 75.41 N ATOM 1494 CA PHE A 95 -1.198 7.066 2.427 1.00 31.02 C ATOM 1495 C PHE A 95 -0.667 5.870 3.205 1.00 31.40 C ATOM 1496 O PHE A 95 0.532 5.747 3.415 1.00 11.22 O ATOM 1497 CB PHE A 95 -0.880 6.901 0.934 1.00 5.00 C ATOM 1498 CG PHE A 95 -1.377 8.070 0.106 1.00 35.15 C ATOM 1499 CD1 PHE A 95 -2.715 8.137 -0.285 1.00 21.42 C ATOM 1500 CD2 PHE A 95 -0.520 9.107 -0.267 1.00 64.21 C ATOM 1501 CE1 PHE A 95 -3.177 9.200 -1.019 1.00 15.33 C ATOM 1502 CE2 PHE A 95 -0.988 10.168 -1.003 1.00 55.12 C ATOM 1503 CZ PHE A 95 -2.315 10.211 -1.379 1.00 62.02 C ATOM 0 H PHE A 95 0.401 8.404 2.641 1.00 75.41 H new ATOM 0 HA PHE A 95 -2.278 7.126 2.560 1.00 31.02 H new ATOM 0 HB2 PHE A 95 0.197 6.799 0.804 1.00 5.00 H new ATOM 0 HB3 PHE A 95 -1.334 5.980 0.568 1.00 5.00 H new ATOM 0 HD1 PHE A 95 -3.394 7.344 -0.007 1.00 21.42 H new ATOM 0 HD2 PHE A 95 0.519 9.075 0.025 1.00 64.21 H new ATOM 0 HE1 PHE A 95 -4.215 9.244 -1.314 1.00 15.33 H new ATOM 0 HE2 PHE A 95 -0.319 10.967 -1.287 1.00 55.12 H new ATOM 0 HZ PHE A 95 -2.680 11.045 -1.960 1.00 62.02 H new ATOM 1513 N LEU A 96 -1.576 5.037 3.681 1.00 72.35 N ATOM 1514 CA LEU A 96 -1.270 3.796 4.385 1.00 32.54 C ATOM 1515 C LEU A 96 -1.996 2.651 3.674 1.00 63.13 C ATOM 1516 O LEU A 96 -3.222 2.661 3.570 1.00 41.32 O ATOM 1517 CB LEU A 96 -1.723 3.890 5.866 1.00 44.41 C ATOM 1518 CG LEU A 96 -1.172 5.112 6.687 1.00 53.31 C ATOM 1519 CD1 LEU A 96 -2.068 6.361 6.521 1.00 41.12 C ATOM 1520 CD2 LEU A 96 -0.962 4.762 8.166 1.00 64.53 C ATOM 0 H LEU A 96 -2.577 5.207 3.588 1.00 72.35 H new ATOM 0 HA LEU A 96 -0.195 3.616 4.377 1.00 32.54 H new ATOM 0 HB2 LEU A 96 -2.812 3.926 5.889 1.00 44.41 H new ATOM 0 HB3 LEU A 96 -1.423 2.973 6.374 1.00 44.41 H new ATOM 0 HG LEU A 96 -0.193 5.356 6.274 1.00 53.31 H new ATOM 0 HD11 LEU A 96 -1.655 7.185 7.103 1.00 41.12 H new ATOM 0 HD12 LEU A 96 -2.107 6.644 5.469 1.00 41.12 H new ATOM 0 HD13 LEU A 96 -3.075 6.136 6.874 1.00 41.12 H new ATOM 0 HD21 LEU A 96 -0.581 5.635 8.696 1.00 64.53 H new ATOM 0 HD22 LEU A 96 -1.911 4.457 8.606 1.00 64.53 H new ATOM 0 HD23 LEU A 96 -0.245 3.945 8.248 1.00 64.53 H new ATOM 1532 N THR A 97 -1.236 1.674 3.194 1.00 41.14 N ATOM 1533 CA THR A 97 -1.755 0.548 2.407 1.00 23.23 C ATOM 1534 C THR A 97 -1.357 -0.781 3.062 1.00 55.04 C ATOM 1535 O THR A 97 -0.331 -0.866 3.724 1.00 20.13 O ATOM 1536 CB THR A 97 -1.220 0.614 0.936 1.00 62.40 C ATOM 1537 OG1 THR A 97 -1.410 1.937 0.430 1.00 72.44 O ATOM 1538 CG2 THR A 97 -1.923 -0.394 -0.001 1.00 23.13 C ATOM 0 H THR A 97 -0.227 1.636 3.339 1.00 41.14 H new ATOM 0 HA THR A 97 -2.843 0.613 2.380 1.00 23.23 H new ATOM 0 HB THR A 97 -0.163 0.351 0.960 1.00 62.40 H new ATOM 0 HG1 THR A 97 -0.722 2.133 -0.240 1.00 72.44 H new ATOM 0 HG21 THR A 97 -1.512 -0.304 -1.007 1.00 23.13 H new ATOM 0 HG22 THR A 97 -1.761 -1.407 0.367 1.00 23.13 H new ATOM 0 HG23 THR A 97 -2.992 -0.183 -0.026 1.00 23.13 H new ATOM 1546 N GLU A 98 -2.204 -1.797 2.890 1.00 63.53 N ATOM 1547 CA GLU A 98 -1.908 -3.182 3.263 1.00 33.53 C ATOM 1548 C GLU A 98 -2.106 -4.083 2.040 1.00 73.54 C ATOM 1549 O GLU A 98 -3.109 -3.964 1.333 1.00 45.35 O ATOM 1550 CB GLU A 98 -2.817 -3.653 4.414 1.00 54.01 C ATOM 1551 CG GLU A 98 -2.609 -5.128 4.822 1.00 72.34 C ATOM 1552 CD GLU A 98 -3.603 -5.590 5.883 1.00 50.25 C ATOM 1553 OE1 GLU A 98 -4.788 -5.813 5.542 1.00 22.44 O ATOM 1554 OE2 GLU A 98 -3.214 -5.734 7.059 1.00 72.32 O ATOM 0 H GLU A 98 -3.131 -1.679 2.481 1.00 63.53 H new ATOM 0 HA GLU A 98 -0.875 -3.240 3.606 1.00 33.53 H new ATOM 0 HB2 GLU A 98 -2.642 -3.019 5.283 1.00 54.01 H new ATOM 0 HB3 GLU A 98 -3.857 -3.512 4.121 1.00 54.01 H new ATOM 0 HG2 GLU A 98 -2.704 -5.762 3.940 1.00 72.34 H new ATOM 0 HG3 GLU A 98 -1.595 -5.257 5.199 1.00 72.34 H new ATOM 1561 N LEU A 99 -1.128 -4.952 1.791 1.00 2.42 N ATOM 1562 CA LEU A 99 -1.199 -5.982 0.762 1.00 72.20 C ATOM 1563 C LEU A 99 -1.180 -7.340 1.472 1.00 20.05 C ATOM 1564 O LEU A 99 -0.213 -7.664 2.165 1.00 21.23 O ATOM 1565 CB LEU A 99 0.003 -5.850 -0.206 1.00 5.53 C ATOM 1566 CG LEU A 99 0.167 -4.494 -0.957 1.00 51.21 C ATOM 1567 CD1 LEU A 99 1.420 -4.524 -1.860 1.00 33.20 C ATOM 1568 CD2 LEU A 99 -1.097 -4.130 -1.767 1.00 51.41 C ATOM 0 H LEU A 99 -0.249 -4.958 2.309 1.00 2.42 H new ATOM 0 HA LEU A 99 -2.109 -5.880 0.170 1.00 72.20 H new ATOM 0 HB2 LEU A 99 0.915 -6.035 0.361 1.00 5.53 H new ATOM 0 HB3 LEU A 99 -0.075 -6.642 -0.951 1.00 5.53 H new ATOM 0 HG LEU A 99 0.301 -3.713 -0.208 1.00 51.21 H new ATOM 0 HD11 LEU A 99 1.519 -3.569 -2.377 1.00 33.20 H new ATOM 0 HD12 LEU A 99 2.305 -4.699 -1.248 1.00 33.20 H new ATOM 0 HD13 LEU A 99 1.321 -5.325 -2.593 1.00 33.20 H new ATOM 0 HD21 LEU A 99 -0.942 -3.178 -2.275 1.00 51.41 H new ATOM 0 HD22 LEU A 99 -1.293 -4.908 -2.505 1.00 51.41 H new ATOM 0 HD23 LEU A 99 -1.950 -4.046 -1.093 1.00 51.41 H new ATOM 1580 N LEU A 100 -2.255 -8.105 1.322 1.00 50.02 N ATOM 1581 CA LEU A 100 -2.396 -9.440 1.910 1.00 22.12 C ATOM 1582 C LEU A 100 -2.556 -10.450 0.772 1.00 13.40 C ATOM 1583 O LEU A 100 -3.208 -10.146 -0.212 1.00 23.03 O ATOM 1584 CB LEU A 100 -3.623 -9.485 2.862 1.00 45.45 C ATOM 1585 CG LEU A 100 -3.885 -10.849 3.587 1.00 3.20 C ATOM 1586 CD1 LEU A 100 -2.708 -11.233 4.519 1.00 44.32 C ATOM 1587 CD2 LEU A 100 -5.233 -10.823 4.342 1.00 5.01 C ATOM 0 H LEU A 100 -3.069 -7.814 0.780 1.00 50.02 H new ATOM 0 HA LEU A 100 -1.512 -9.686 2.499 1.00 22.12 H new ATOM 0 HB2 LEU A 100 -3.497 -8.712 3.620 1.00 45.45 H new ATOM 0 HB3 LEU A 100 -4.512 -9.226 2.288 1.00 45.45 H new ATOM 0 HG LEU A 100 -3.951 -11.626 2.825 1.00 3.20 H new ATOM 0 HD11 LEU A 100 -2.924 -12.184 5.005 1.00 44.32 H new ATOM 0 HD12 LEU A 100 -1.794 -11.325 3.932 1.00 44.32 H new ATOM 0 HD13 LEU A 100 -2.577 -10.460 5.276 1.00 44.32 H new ATOM 0 HD21 LEU A 100 -5.391 -11.781 4.837 1.00 5.01 H new ATOM 0 HD22 LEU A 100 -5.217 -10.028 5.087 1.00 5.01 H new ATOM 0 HD23 LEU A 100 -6.043 -10.641 3.635 1.00 5.01 H new ATOM 1599 N LEU A 101 -1.922 -11.621 0.885 1.00 11.24 N ATOM 1600 CA LEU A 101 -2.157 -12.751 -0.027 1.00 60.43 C ATOM 1601 C LEU A 101 -2.493 -13.979 0.816 1.00 41.05 C ATOM 1602 O LEU A 101 -1.655 -14.444 1.596 1.00 51.33 O ATOM 1603 CB LEU A 101 -0.920 -13.023 -0.924 1.00 51.20 C ATOM 1604 CG LEU A 101 -1.102 -14.159 -1.985 1.00 1.31 C ATOM 1605 CD1 LEU A 101 -2.221 -13.808 -2.981 1.00 44.42 C ATOM 1606 CD2 LEU A 101 0.219 -14.463 -2.708 1.00 21.33 C ATOM 0 H LEU A 101 -1.231 -11.815 1.610 1.00 11.24 H new ATOM 0 HA LEU A 101 -2.985 -12.513 -0.695 1.00 60.43 H new ATOM 0 HB2 LEU A 101 -0.659 -12.101 -1.444 1.00 51.20 H new ATOM 0 HB3 LEU A 101 -0.076 -13.278 -0.283 1.00 51.20 H new ATOM 0 HG LEU A 101 -1.400 -15.065 -1.458 1.00 1.31 H new ATOM 0 HD11 LEU A 101 -2.327 -14.614 -3.708 1.00 44.42 H new ATOM 0 HD12 LEU A 101 -3.160 -13.679 -2.443 1.00 44.42 H new ATOM 0 HD13 LEU A 101 -1.970 -12.883 -3.499 1.00 44.42 H new ATOM 0 HD21 LEU A 101 0.060 -15.256 -3.438 1.00 21.33 H new ATOM 0 HD22 LEU A 101 0.570 -13.566 -3.217 1.00 21.33 H new ATOM 0 HD23 LEU A 101 0.966 -14.783 -1.982 1.00 21.33 H new ATOM 1618 N GLU A 102 -3.717 -14.490 0.657 1.00 14.14 N ATOM 1619 CA GLU A 102 -4.248 -15.580 1.491 1.00 25.32 C ATOM 1620 C GLU A 102 -3.650 -16.952 1.088 1.00 42.43 C ATOM 1621 O GLU A 102 -3.270 -17.141 -0.072 1.00 35.21 O ATOM 1622 CB GLU A 102 -5.785 -15.615 1.381 1.00 10.23 C ATOM 1623 CG GLU A 102 -6.494 -14.351 1.896 1.00 73.23 C ATOM 1624 CD GLU A 102 -8.022 -14.469 1.842 1.00 44.51 C ATOM 1625 OE1 GLU A 102 -8.601 -15.201 2.677 1.00 41.11 O ATOM 1626 OE2 GLU A 102 -8.654 -13.836 0.976 1.00 3.13 O ATOM 0 H GLU A 102 -4.371 -14.162 -0.053 1.00 14.14 H new ATOM 0 HA GLU A 102 -3.960 -15.388 2.524 1.00 25.32 H new ATOM 0 HB2 GLU A 102 -6.058 -15.768 0.337 1.00 10.23 H new ATOM 0 HB3 GLU A 102 -6.156 -16.476 1.937 1.00 10.23 H new ATOM 0 HG2 GLU A 102 -6.184 -14.158 2.923 1.00 73.23 H new ATOM 0 HG3 GLU A 102 -6.178 -13.494 1.301 1.00 73.23 H new ATOM 1633 N PRO A 103 -3.525 -17.918 2.062 1.00 42.50 N ATOM 1634 CA PRO A 103 -3.073 -19.300 1.768 1.00 12.33 C ATOM 1635 C PRO A 103 -4.176 -20.166 1.101 1.00 23.23 C ATOM 1636 O PRO A 103 -3.937 -20.792 0.052 1.00 21.54 O ATOM 1637 CB PRO A 103 -2.657 -19.836 3.166 1.00 44.02 C ATOM 1638 CG PRO A 103 -3.499 -19.077 4.152 1.00 31.01 C ATOM 1639 CD PRO A 103 -3.753 -17.716 3.529 1.00 63.10 C ATOM 0 HA PRO A 103 -2.261 -19.332 1.042 1.00 12.33 H new ATOM 0 HB2 PRO A 103 -2.833 -20.909 3.243 1.00 44.02 H new ATOM 0 HB3 PRO A 103 -1.595 -19.673 3.349 1.00 44.02 H new ATOM 0 HG2 PRO A 103 -4.437 -19.598 4.346 1.00 31.01 H new ATOM 0 HG3 PRO A 103 -2.985 -18.978 5.108 1.00 31.01 H new ATOM 0 HD2 PRO A 103 -4.768 -17.373 3.728 1.00 63.10 H new ATOM 0 HD3 PRO A 103 -3.077 -16.963 3.934 1.00 63.10 H new ATOM 1647 N GLY A 104 -5.385 -20.187 1.708 1.00 12.44 N ATOM 1648 CA GLY A 104 -6.495 -21.019 1.232 1.00 11.51 C ATOM 1649 C GLY A 104 -7.106 -20.506 -0.064 1.00 75.43 C ATOM 1650 O GLY A 104 -7.512 -21.293 -0.921 1.00 42.22 O ATOM 0 H GLY A 104 -5.609 -19.631 2.533 1.00 12.44 H new ATOM 0 HA2 GLY A 104 -6.140 -22.039 1.082 1.00 11.51 H new ATOM 0 HA3 GLY A 104 -7.267 -21.060 2.000 1.00 11.51 H new ATOM 1654 N ASN A 105 -7.147 -19.171 -0.212 1.00 52.32 N ATOM 1655 CA ASN A 105 -7.679 -18.489 -1.410 1.00 32.43 C ATOM 1656 C ASN A 105 -6.533 -17.793 -2.140 1.00 71.01 C ATOM 1657 O ASN A 105 -5.744 -17.089 -1.513 1.00 12.24 O ATOM 1658 CB ASN A 105 -8.775 -17.444 -1.027 1.00 31.11 C ATOM 1659 CG ASN A 105 -10.102 -18.091 -0.624 1.00 72.42 C ATOM 1660 OD1 ASN A 105 -10.956 -18.372 -1.476 1.00 72.12 O ATOM 1661 ND2 ASN A 105 -10.303 -18.330 0.663 1.00 74.24 N ATOM 0 H ASN A 105 -6.809 -18.526 0.502 1.00 52.32 H new ATOM 0 HA ASN A 105 -8.139 -19.234 -2.059 1.00 32.43 H new ATOM 0 HB2 ASN A 105 -8.412 -16.830 -0.203 1.00 31.11 H new ATOM 0 HB3 ASN A 105 -8.944 -16.777 -1.872 1.00 31.11 H new ATOM 0 HD21 ASN A 105 -11.177 -18.755 0.972 1.00 74.24 H new ATOM 0 HD22 ASN A 105 -9.584 -18.089 1.345 1.00 74.24 H new ATOM 1668 N SER A 106 -6.452 -17.987 -3.468 1.00 60.14 N ATOM 1669 CA SER A 106 -5.473 -17.306 -4.336 1.00 72.14 C ATOM 1670 C SER A 106 -5.988 -15.900 -4.689 1.00 31.14 C ATOM 1671 O SER A 106 -6.314 -15.598 -5.842 1.00 64.35 O ATOM 1672 CB SER A 106 -5.227 -18.164 -5.601 1.00 71.25 C ATOM 1673 OG SER A 106 -4.725 -19.434 -5.245 1.00 20.32 O ATOM 0 H SER A 106 -7.067 -18.625 -3.973 1.00 60.14 H new ATOM 0 HA SER A 106 -4.522 -17.190 -3.817 1.00 72.14 H new ATOM 0 HB2 SER A 106 -6.157 -18.277 -6.158 1.00 71.25 H new ATOM 0 HB3 SER A 106 -4.521 -17.658 -6.259 1.00 71.25 H new ATOM 0 HG SER A 106 -4.576 -19.966 -6.055 1.00 20.32 H new ATOM 1679 N GLU A 107 -6.104 -15.053 -3.655 1.00 51.24 N ATOM 1680 CA GLU A 107 -6.630 -13.685 -3.778 1.00 74.20 C ATOM 1681 C GLU A 107 -5.750 -12.723 -2.976 1.00 23.35 C ATOM 1682 O GLU A 107 -5.308 -13.048 -1.862 1.00 42.34 O ATOM 1683 CB GLU A 107 -8.106 -13.620 -3.283 1.00 31.22 C ATOM 1684 CG GLU A 107 -9.096 -14.455 -4.119 1.00 13.35 C ATOM 1685 CD GLU A 107 -10.531 -14.428 -3.572 1.00 54.21 C ATOM 1686 OE1 GLU A 107 -10.792 -15.089 -2.552 1.00 34.11 O ATOM 1687 OE2 GLU A 107 -11.410 -13.767 -4.161 1.00 73.23 O ATOM 0 H GLU A 107 -5.833 -15.300 -2.703 1.00 51.24 H new ATOM 0 HA GLU A 107 -6.613 -13.390 -4.827 1.00 74.20 H new ATOM 0 HB2 GLU A 107 -8.145 -13.962 -2.249 1.00 31.22 H new ATOM 0 HB3 GLU A 107 -8.432 -12.580 -3.288 1.00 31.22 H new ATOM 0 HG2 GLU A 107 -9.099 -14.083 -5.144 1.00 13.35 H new ATOM 0 HG3 GLU A 107 -8.748 -15.487 -4.156 1.00 13.35 H new ATOM 1694 N MET A 108 -5.516 -11.536 -3.547 1.00 71.10 N ATOM 1695 CA MET A 108 -4.697 -10.486 -2.947 1.00 0.42 C ATOM 1696 C MET A 108 -5.626 -9.341 -2.491 1.00 62.40 C ATOM 1697 O MET A 108 -6.341 -8.760 -3.309 1.00 11.21 O ATOM 1698 CB MET A 108 -3.649 -9.985 -3.983 1.00 14.25 C ATOM 1699 CG MET A 108 -2.517 -9.141 -3.394 1.00 52.44 C ATOM 1700 SD MET A 108 -1.288 -8.697 -4.640 1.00 50.22 S ATOM 1701 CE MET A 108 0.088 -8.205 -3.614 1.00 55.40 C ATOM 0 H MET A 108 -5.899 -11.277 -4.456 1.00 71.10 H new ATOM 0 HA MET A 108 -4.155 -10.868 -2.082 1.00 0.42 H new ATOM 0 HB2 MET A 108 -3.215 -10.849 -4.486 1.00 14.25 H new ATOM 0 HB3 MET A 108 -4.163 -9.398 -4.744 1.00 14.25 H new ATOM 0 HG2 MET A 108 -2.932 -8.234 -2.954 1.00 52.44 H new ATOM 0 HG3 MET A 108 -2.034 -9.694 -2.588 1.00 52.44 H new ATOM 0 HE1 MET A 108 0.322 -7.156 -3.798 1.00 55.40 H new ATOM 0 HE2 MET A 108 -0.174 -8.340 -2.565 1.00 55.40 H new ATOM 0 HE3 MET A 108 0.957 -8.818 -3.852 1.00 55.40 H new ATOM 1711 N GLN A 109 -5.629 -9.050 -1.183 1.00 24.51 N ATOM 1712 CA GLN A 109 -6.500 -8.044 -0.564 1.00 42.12 C ATOM 1713 C GLN A 109 -5.696 -6.745 -0.367 1.00 44.10 C ATOM 1714 O GLN A 109 -4.673 -6.743 0.323 1.00 55.35 O ATOM 1715 CB GLN A 109 -7.016 -8.626 0.789 1.00 32.05 C ATOM 1716 CG GLN A 109 -8.176 -7.862 1.460 1.00 23.32 C ATOM 1717 CD GLN A 109 -7.781 -6.571 2.190 1.00 70.33 C ATOM 1718 OE1 GLN A 109 -8.556 -5.619 2.236 1.00 25.32 O ATOM 1719 NE2 GLN A 109 -6.587 -6.524 2.789 1.00 64.54 N ATOM 0 H GLN A 109 -5.015 -9.516 -0.515 1.00 24.51 H new ATOM 0 HA GLN A 109 -7.359 -7.808 -1.192 1.00 42.12 H new ATOM 0 HB2 GLN A 109 -7.335 -9.654 0.620 1.00 32.05 H new ATOM 0 HB3 GLN A 109 -6.180 -8.662 1.488 1.00 32.05 H new ATOM 0 HG2 GLN A 109 -8.915 -7.616 0.698 1.00 23.32 H new ATOM 0 HG3 GLN A 109 -8.662 -8.528 2.173 1.00 23.32 H new ATOM 0 HE21 GLN A 109 -5.959 -7.326 2.738 1.00 64.54 H new ATOM 0 HE22 GLN A 109 -6.304 -5.686 3.297 1.00 64.54 H new ATOM 1728 N ILE A 110 -6.164 -5.652 -0.981 1.00 15.41 N ATOM 1729 CA ILE A 110 -5.528 -4.329 -0.913 1.00 54.13 C ATOM 1730 C ILE A 110 -6.430 -3.402 -0.068 1.00 30.12 C ATOM 1731 O ILE A 110 -7.579 -3.152 -0.441 1.00 74.33 O ATOM 1732 CB ILE A 110 -5.303 -3.680 -2.349 1.00 24.22 C ATOM 1733 CG1 ILE A 110 -4.441 -4.595 -3.300 1.00 64.44 C ATOM 1734 CG2 ILE A 110 -4.658 -2.269 -2.210 1.00 22.12 C ATOM 1735 CD1 ILE A 110 -5.187 -5.755 -3.953 1.00 33.44 C ATOM 0 H ILE A 110 -7.011 -5.661 -1.550 1.00 15.41 H new ATOM 0 HA ILE A 110 -4.543 -4.450 -0.461 1.00 54.13 H new ATOM 0 HB ILE A 110 -6.284 -3.581 -2.814 1.00 24.22 H new ATOM 0 HG12 ILE A 110 -4.015 -3.972 -4.086 1.00 64.44 H new ATOM 0 HG13 ILE A 110 -3.607 -5.000 -2.727 1.00 64.44 H new ATOM 0 HG21 ILE A 110 -4.510 -1.837 -3.200 1.00 22.12 H new ATOM 0 HG22 ILE A 110 -5.316 -1.624 -1.628 1.00 22.12 H new ATOM 0 HG23 ILE A 110 -3.696 -2.357 -1.705 1.00 22.12 H new ATOM 0 HD11 ILE A 110 -4.501 -6.319 -4.585 1.00 33.44 H new ATOM 0 HD12 ILE A 110 -5.589 -6.410 -3.180 1.00 33.44 H new ATOM 0 HD13 ILE A 110 -6.004 -5.366 -4.561 1.00 33.44 H new ATOM 1747 N SER A 111 -5.909 -2.920 1.070 1.00 41.41 N ATOM 1748 CA SER A 111 -6.599 -1.953 1.945 1.00 50.45 C ATOM 1749 C SER A 111 -5.901 -0.597 1.828 1.00 55.43 C ATOM 1750 O SER A 111 -4.766 -0.449 2.282 1.00 22.45 O ATOM 1751 CB SER A 111 -6.561 -2.442 3.401 1.00 24.55 C ATOM 1752 OG SER A 111 -7.203 -3.682 3.541 1.00 2.23 O ATOM 0 H SER A 111 -4.988 -3.191 1.415 1.00 41.41 H new ATOM 0 HA SER A 111 -7.641 -1.857 1.640 1.00 50.45 H new ATOM 0 HB2 SER A 111 -5.526 -2.527 3.731 1.00 24.55 H new ATOM 0 HB3 SER A 111 -7.042 -1.707 4.046 1.00 24.55 H new ATOM 0 HG SER A 111 -7.572 -3.959 2.676 1.00 2.23 H new ATOM 1758 N VAL A 112 -6.569 0.377 1.196 1.00 42.44 N ATOM 1759 CA VAL A 112 -6.055 1.749 1.078 1.00 12.41 C ATOM 1760 C VAL A 112 -6.775 2.636 2.116 1.00 54.41 C ATOM 1761 O VAL A 112 -8.002 2.721 2.123 1.00 53.23 O ATOM 1762 CB VAL A 112 -6.270 2.338 -0.366 1.00 34.25 C ATOM 1763 CG1 VAL A 112 -5.582 3.720 -0.497 1.00 24.31 C ATOM 1764 CG2 VAL A 112 -5.774 1.351 -1.449 1.00 23.40 C ATOM 0 H VAL A 112 -7.477 0.238 0.754 1.00 42.44 H new ATOM 0 HA VAL A 112 -4.981 1.732 1.263 1.00 12.41 H new ATOM 0 HB VAL A 112 -7.339 2.481 -0.523 1.00 34.25 H new ATOM 0 HG11 VAL A 112 -5.741 4.112 -1.502 1.00 24.31 H new ATOM 0 HG12 VAL A 112 -6.007 4.409 0.233 1.00 24.31 H new ATOM 0 HG13 VAL A 112 -4.513 3.613 -0.314 1.00 24.31 H new ATOM 0 HG21 VAL A 112 -5.935 1.784 -2.437 1.00 23.40 H new ATOM 0 HG22 VAL A 112 -4.711 1.158 -1.306 1.00 23.40 H new ATOM 0 HG23 VAL A 112 -6.327 0.415 -1.369 1.00 23.40 H new ATOM 1774 N LYS A 113 -6.003 3.256 3.014 1.00 61.14 N ATOM 1775 CA LYS A 113 -6.493 4.167 4.076 1.00 44.21 C ATOM 1776 C LYS A 113 -5.570 5.383 4.074 1.00 12.15 C ATOM 1777 O LYS A 113 -4.376 5.227 3.884 1.00 30.03 O ATOM 1778 CB LYS A 113 -6.453 3.451 5.457 1.00 41.22 C ATOM 1779 CG LYS A 113 -7.275 2.144 5.507 1.00 4.00 C ATOM 1780 CD LYS A 113 -7.250 1.445 6.884 1.00 45.31 C ATOM 1781 CE LYS A 113 -7.785 2.318 8.015 1.00 3.44 C ATOM 1782 NZ LYS A 113 -7.893 1.579 9.295 1.00 35.22 N ATOM 0 H LYS A 113 -4.990 3.141 3.030 1.00 61.14 H new ATOM 0 HA LYS A 113 -7.525 4.466 3.894 1.00 44.21 H new ATOM 0 HB2 LYS A 113 -5.417 3.227 5.710 1.00 41.22 H new ATOM 0 HB3 LYS A 113 -6.827 4.133 6.220 1.00 41.22 H new ATOM 0 HG2 LYS A 113 -8.309 2.365 5.241 1.00 4.00 H new ATOM 0 HG3 LYS A 113 -6.892 1.456 4.753 1.00 4.00 H new ATOM 0 HD2 LYS A 113 -7.841 0.531 6.830 1.00 45.31 H new ATOM 0 HD3 LYS A 113 -6.226 1.150 7.115 1.00 45.31 H new ATOM 0 HE2 LYS A 113 -7.128 3.178 8.149 1.00 3.44 H new ATOM 0 HE3 LYS A 113 -8.765 2.706 7.739 1.00 3.44 H new ATOM 0 HZ1 LYS A 113 -8.704 1.940 9.837 1.00 35.22 H new ATOM 0 HZ2 LYS A 113 -8.029 0.566 9.101 1.00 35.22 H new ATOM 0 HZ3 LYS A 113 -7.022 1.712 9.847 1.00 35.22 H new ATOM 1796 N GLN A 114 -6.104 6.591 4.278 1.00 32.34 N ATOM 1797 CA GLN A 114 -5.296 7.825 4.185 1.00 12.10 C ATOM 1798 C GLN A 114 -5.695 8.821 5.275 1.00 32.01 C ATOM 1799 O GLN A 114 -6.869 8.879 5.670 1.00 23.52 O ATOM 1800 CB GLN A 114 -5.402 8.444 2.767 1.00 33.43 C ATOM 1801 CG GLN A 114 -6.833 8.751 2.291 1.00 4.31 C ATOM 1802 CD GLN A 114 -6.884 9.397 0.902 1.00 21.42 C ATOM 1803 OE1 GLN A 114 -5.958 10.094 0.491 1.00 63.54 O ATOM 1804 NE2 GLN A 114 -7.981 9.207 0.190 1.00 22.35 N ATOM 0 H GLN A 114 -7.085 6.747 4.508 1.00 32.34 H new ATOM 0 HA GLN A 114 -4.250 7.568 4.351 1.00 12.10 H new ATOM 0 HB2 GLN A 114 -4.824 9.368 2.747 1.00 33.43 H new ATOM 0 HB3 GLN A 114 -4.938 7.762 2.055 1.00 33.43 H new ATOM 0 HG2 GLN A 114 -7.410 7.826 2.275 1.00 4.31 H new ATOM 0 HG3 GLN A 114 -7.313 9.414 3.010 1.00 4.31 H new ATOM 0 HE21 GLN A 114 -8.733 8.623 0.557 1.00 22.35 H new ATOM 0 HE22 GLN A 114 -8.076 9.644 -0.727 1.00 22.35 H new ATOM 1813 N ASN A 115 -4.682 9.577 5.755 1.00 61.33 N ATOM 1814 CA ASN A 115 -4.787 10.492 6.907 1.00 53.10 C ATOM 1815 C ASN A 115 -5.844 11.567 6.650 1.00 71.24 C ATOM 1816 O ASN A 115 -6.773 11.744 7.443 1.00 62.25 O ATOM 1817 CB ASN A 115 -3.391 11.104 7.213 1.00 70.12 C ATOM 1818 CG ASN A 115 -3.304 11.922 8.513 1.00 61.33 C ATOM 1819 OD1 ASN A 115 -4.262 12.556 8.953 1.00 61.24 O ATOM 1820 ND2 ASN A 115 -2.142 11.906 9.148 1.00 1.35 N ATOM 0 H ASN A 115 -3.750 9.565 5.341 1.00 61.33 H new ATOM 0 HA ASN A 115 -5.112 9.936 7.786 1.00 53.10 H new ATOM 0 HB2 ASN A 115 -2.661 10.296 7.262 1.00 70.12 H new ATOM 0 HB3 ASN A 115 -3.103 11.745 6.380 1.00 70.12 H new ATOM 0 HD21 ASN A 115 -2.029 12.426 10.018 1.00 1.35 H new ATOM 0 HD22 ASN A 115 -1.360 11.374 8.767 1.00 1.35 H new ATOM 1827 N GLU A 116 -5.694 12.269 5.524 1.00 73.44 N ATOM 1828 CA GLU A 116 -6.677 13.239 5.037 1.00 72.14 C ATOM 1829 C GLU A 116 -7.220 12.701 3.714 1.00 52.43 C ATOM 1830 O GLU A 116 -6.480 12.621 2.719 1.00 13.31 O ATOM 1831 CB GLU A 116 -6.009 14.632 4.881 1.00 74.53 C ATOM 1832 CG GLU A 116 -5.469 15.209 6.208 1.00 42.34 C ATOM 1833 CD GLU A 116 -4.703 16.523 6.034 1.00 31.54 C ATOM 1834 OE1 GLU A 116 -3.656 16.506 5.362 1.00 13.13 O ATOM 1835 OE2 GLU A 116 -5.117 17.567 6.579 1.00 23.34 O ATOM 0 H GLU A 116 -4.878 12.179 4.919 1.00 73.44 H new ATOM 0 HA GLU A 116 -7.502 13.369 5.738 1.00 72.14 H new ATOM 0 HB2 GLU A 116 -5.189 14.555 4.167 1.00 74.53 H new ATOM 0 HB3 GLU A 116 -6.734 15.328 4.460 1.00 74.53 H new ATOM 0 HG2 GLU A 116 -6.303 15.371 6.891 1.00 42.34 H new ATOM 0 HG3 GLU A 116 -4.813 14.474 6.675 1.00 42.34 H new ATOM 1842 N ALA A 117 -8.483 12.255 3.733 1.00 61.15 N ATOM 1843 CA ALA A 117 -9.129 11.627 2.581 1.00 43.13 C ATOM 1844 C ALA A 117 -9.565 12.669 1.548 1.00 53.12 C ATOM 1845 O ALA A 117 -10.432 13.508 1.818 1.00 60.12 O ATOM 1846 CB ALA A 117 -10.333 10.797 3.064 1.00 32.53 C ATOM 0 H ALA A 117 -9.085 12.322 4.554 1.00 61.15 H new ATOM 0 HA ALA A 117 -8.410 10.970 2.091 1.00 43.13 H new ATOM 0 HB1 ALA A 117 -10.818 10.327 2.208 1.00 32.53 H new ATOM 0 HB2 ALA A 117 -9.990 10.027 3.755 1.00 32.53 H new ATOM 0 HB3 ALA A 117 -11.044 11.449 3.571 1.00 32.53 H new ATOM 1852 N ARG A 118 -8.920 12.634 0.374 1.00 55.51 N ATOM 1853 CA ARG A 118 -9.386 13.322 -0.828 1.00 52.32 C ATOM 1854 C ARG A 118 -9.758 12.244 -1.855 1.00 21.14 C ATOM 1855 O ARG A 118 -9.032 11.250 -1.982 1.00 42.44 O ATOM 1856 CB ARG A 118 -8.257 14.266 -1.313 1.00 33.23 C ATOM 1857 CG ARG A 118 -8.527 15.087 -2.585 1.00 53.44 C ATOM 1858 CD ARG A 118 -7.334 16.009 -2.916 1.00 1.30 C ATOM 1859 NE ARG A 118 -7.534 16.783 -4.148 1.00 33.41 N ATOM 1860 CZ ARG A 118 -7.717 18.107 -4.201 1.00 24.32 C ATOM 1861 NH1 ARG A 118 -7.745 18.839 -3.090 1.00 5.22 N ATOM 1862 NH2 ARG A 118 -7.879 18.687 -5.381 1.00 72.44 N ATOM 0 H ARG A 118 -8.050 12.120 0.235 1.00 55.51 H new ATOM 0 HA ARG A 118 -10.267 13.939 -0.653 1.00 52.32 H new ATOM 0 HB2 ARG A 118 -8.027 14.960 -0.505 1.00 33.23 H new ATOM 0 HB3 ARG A 118 -7.363 13.665 -1.482 1.00 33.23 H new ATOM 0 HG2 ARG A 118 -8.714 14.415 -3.422 1.00 53.44 H new ATOM 0 HG3 ARG A 118 -9.427 15.687 -2.450 1.00 53.44 H new ATOM 0 HD2 ARG A 118 -7.170 16.695 -2.085 1.00 1.30 H new ATOM 0 HD3 ARG A 118 -6.432 15.406 -3.014 1.00 1.30 H new ATOM 0 HE ARG A 118 -7.533 16.272 -5.031 1.00 33.41 H new ATOM 0 HH11 ARG A 118 -7.626 18.391 -2.181 1.00 5.22 H new ATOM 0 HH12 ARG A 118 -7.885 19.848 -3.147 1.00 5.22 H new ATOM 0 HH21 ARG A 118 -7.863 18.125 -6.232 1.00 72.44 H new ATOM 0 HH22 ARG A 118 -8.020 19.696 -5.438 1.00 72.44 H new ATOM 1876 N THR A 119 -10.883 12.418 -2.559 1.00 54.45 N ATOM 1877 CA THR A 119 -11.335 11.468 -3.596 1.00 34.33 C ATOM 1878 C THR A 119 -10.301 11.387 -4.734 1.00 55.53 C ATOM 1879 O THR A 119 -9.998 10.301 -5.235 1.00 22.01 O ATOM 1880 CB THR A 119 -12.734 11.881 -4.162 1.00 43.23 C ATOM 1881 OG1 THR A 119 -13.689 11.953 -3.088 1.00 3.51 O ATOM 1882 CG2 THR A 119 -13.248 10.905 -5.240 1.00 3.52 C ATOM 0 H THR A 119 -11.506 13.215 -2.431 1.00 54.45 H new ATOM 0 HA THR A 119 -11.431 10.484 -3.137 1.00 34.33 H new ATOM 0 HB THR A 119 -12.616 12.857 -4.633 1.00 43.23 H new ATOM 0 HG1 THR A 119 -14.564 12.213 -3.445 1.00 3.51 H new ATOM 0 HG21 THR A 119 -14.222 11.239 -5.598 1.00 3.52 H new ATOM 0 HG22 THR A 119 -12.545 10.879 -6.072 1.00 3.52 H new ATOM 0 HG23 THR A 119 -13.341 9.907 -4.812 1.00 3.52 H new ATOM 1890 N GLU A 120 -9.753 12.560 -5.098 1.00 71.42 N ATOM 1891 CA GLU A 120 -8.719 12.687 -6.135 1.00 71.21 C ATOM 1892 C GLU A 120 -7.463 11.866 -5.774 1.00 51.11 C ATOM 1893 O GLU A 120 -6.961 11.090 -6.599 1.00 20.43 O ATOM 1894 CB GLU A 120 -8.349 14.178 -6.332 1.00 30.34 C ATOM 1895 CG GLU A 120 -9.549 15.116 -6.571 1.00 12.44 C ATOM 1896 CD GLU A 120 -10.315 14.843 -7.880 1.00 4.33 C ATOM 1897 OE1 GLU A 120 -9.868 15.308 -8.949 1.00 75.35 O ATOM 1898 OE2 GLU A 120 -11.377 14.181 -7.845 1.00 50.23 O ATOM 0 H GLU A 120 -10.018 13.450 -4.677 1.00 71.42 H new ATOM 0 HA GLU A 120 -9.120 12.291 -7.068 1.00 71.21 H new ATOM 0 HB2 GLU A 120 -7.806 14.522 -5.452 1.00 30.34 H new ATOM 0 HB3 GLU A 120 -7.668 14.260 -7.179 1.00 30.34 H new ATOM 0 HG2 GLU A 120 -10.240 15.024 -5.733 1.00 12.44 H new ATOM 0 HG3 GLU A 120 -9.194 16.147 -6.579 1.00 12.44 H new ATOM 1905 N THR A 121 -6.997 12.016 -4.517 1.00 51.21 N ATOM 1906 CA THR A 121 -5.800 11.321 -4.033 1.00 54.14 C ATOM 1907 C THR A 121 -6.030 9.805 -3.939 1.00 5.23 C ATOM 1908 O THR A 121 -5.145 9.034 -4.303 1.00 13.23 O ATOM 1909 CB THR A 121 -5.311 11.877 -2.654 1.00 33.31 C ATOM 1910 OG1 THR A 121 -6.377 11.856 -1.685 1.00 1.31 O ATOM 1911 CG2 THR A 121 -4.747 13.301 -2.791 1.00 4.33 C ATOM 0 H THR A 121 -7.438 12.617 -3.821 1.00 51.21 H new ATOM 0 HA THR A 121 -5.016 11.510 -4.767 1.00 54.14 H new ATOM 0 HB THR A 121 -4.509 11.226 -2.306 1.00 33.31 H new ATOM 0 HG1 THR A 121 -6.149 11.236 -0.961 1.00 1.31 H new ATOM 0 HG21 THR A 121 -4.417 13.657 -1.815 1.00 4.33 H new ATOM 0 HG22 THR A 121 -3.902 13.293 -3.480 1.00 4.33 H new ATOM 0 HG23 THR A 121 -5.522 13.964 -3.176 1.00 4.33 H new ATOM 1919 N LEU A 122 -7.235 9.396 -3.474 1.00 72.34 N ATOM 1920 CA LEU A 122 -7.593 7.977 -3.329 1.00 1.42 C ATOM 1921 C LEU A 122 -7.559 7.253 -4.689 1.00 64.04 C ATOM 1922 O LEU A 122 -6.831 6.273 -4.845 1.00 43.01 O ATOM 1923 CB LEU A 122 -8.998 7.818 -2.687 1.00 52.14 C ATOM 1924 CG LEU A 122 -9.438 6.344 -2.403 1.00 42.44 C ATOM 1925 CD1 LEU A 122 -8.482 5.654 -1.407 1.00 73.35 C ATOM 1926 CD2 LEU A 122 -10.896 6.271 -1.918 1.00 40.33 C ATOM 0 H LEU A 122 -7.975 10.039 -3.193 1.00 72.34 H new ATOM 0 HA LEU A 122 -6.852 7.522 -2.671 1.00 1.42 H new ATOM 0 HB2 LEU A 122 -9.016 8.373 -1.749 1.00 52.14 H new ATOM 0 HB3 LEU A 122 -9.735 8.280 -3.344 1.00 52.14 H new ATOM 0 HG LEU A 122 -9.381 5.802 -3.347 1.00 42.44 H new ATOM 0 HD11 LEU A 122 -8.816 4.631 -1.231 1.00 73.35 H new ATOM 0 HD12 LEU A 122 -7.474 5.640 -1.820 1.00 73.35 H new ATOM 0 HD13 LEU A 122 -8.480 6.202 -0.465 1.00 73.35 H new ATOM 0 HD21 LEU A 122 -11.166 5.232 -1.731 1.00 40.33 H new ATOM 0 HD22 LEU A 122 -11.002 6.845 -0.997 1.00 40.33 H new ATOM 0 HD23 LEU A 122 -11.555 6.685 -2.682 1.00 40.33 H new ATOM 1938 N ASN A 123 -8.315 7.792 -5.677 1.00 20.22 N ATOM 1939 CA ASN A 123 -8.474 7.177 -7.018 1.00 22.42 C ATOM 1940 C ASN A 123 -7.118 7.060 -7.718 1.00 3.30 C ATOM 1941 O ASN A 123 -6.752 5.989 -8.225 1.00 24.05 O ATOM 1942 CB ASN A 123 -9.449 8.010 -7.902 1.00 34.20 C ATOM 1943 CG ASN A 123 -10.903 7.994 -7.417 1.00 43.51 C ATOM 1944 OD1 ASN A 123 -11.180 7.824 -6.228 1.00 25.55 O ATOM 1945 ND2 ASN A 123 -11.845 8.176 -8.331 1.00 40.25 N ATOM 0 H ASN A 123 -8.831 8.665 -5.567 1.00 20.22 H new ATOM 0 HA ASN A 123 -8.893 6.180 -6.880 1.00 22.42 H new ATOM 0 HB2 ASN A 123 -9.100 9.042 -7.936 1.00 34.20 H new ATOM 0 HB3 ASN A 123 -9.413 7.628 -8.922 1.00 34.20 H new ATOM 0 HD21 ASN A 123 -12.828 8.178 -8.057 1.00 40.25 H new ATOM 0 HD22 ASN A 123 -11.587 8.314 -9.308 1.00 40.25 H new ATOM 1952 N SER A 124 -6.373 8.175 -7.700 1.00 13.05 N ATOM 1953 CA SER A 124 -5.060 8.261 -8.347 1.00 22.42 C ATOM 1954 C SER A 124 -4.053 7.292 -7.691 1.00 0.44 C ATOM 1955 O SER A 124 -3.234 6.683 -8.384 1.00 31.43 O ATOM 1956 CB SER A 124 -4.530 9.707 -8.310 1.00 72.02 C ATOM 1957 OG SER A 124 -3.284 9.821 -8.980 1.00 2.22 O ATOM 0 H SER A 124 -6.664 9.037 -7.239 1.00 13.05 H new ATOM 0 HA SER A 124 -5.178 7.965 -9.390 1.00 22.42 H new ATOM 0 HB2 SER A 124 -5.256 10.374 -8.774 1.00 72.02 H new ATOM 0 HB3 SER A 124 -4.418 10.028 -7.274 1.00 72.02 H new ATOM 0 HG SER A 124 -3.199 10.720 -9.362 1.00 2.22 H new ATOM 1963 N PHE A 125 -4.149 7.131 -6.355 1.00 42.30 N ATOM 1964 CA PHE A 125 -3.243 6.248 -5.597 1.00 63.43 C ATOM 1965 C PHE A 125 -3.502 4.766 -5.929 1.00 71.44 C ATOM 1966 O PHE A 125 -2.558 3.984 -6.074 1.00 13.14 O ATOM 1967 CB PHE A 125 -3.386 6.492 -4.075 1.00 34.22 C ATOM 1968 CG PHE A 125 -2.344 5.756 -3.248 1.00 34.41 C ATOM 1969 CD1 PHE A 125 -1.034 6.233 -3.175 1.00 32.13 C ATOM 1970 CD2 PHE A 125 -2.659 4.583 -2.567 1.00 62.00 C ATOM 1971 CE1 PHE A 125 -0.082 5.560 -2.440 1.00 32.24 C ATOM 1972 CE2 PHE A 125 -1.704 3.915 -1.836 1.00 23.55 C ATOM 1973 CZ PHE A 125 -0.415 4.400 -1.770 1.00 13.14 C ATOM 0 H PHE A 125 -4.847 7.603 -5.779 1.00 42.30 H new ATOM 0 HA PHE A 125 -2.222 6.488 -5.893 1.00 63.43 H new ATOM 0 HB2 PHE A 125 -3.309 7.561 -3.876 1.00 34.22 H new ATOM 0 HB3 PHE A 125 -4.380 6.180 -3.756 1.00 34.22 H new ATOM 0 HD1 PHE A 125 -0.764 7.138 -3.699 1.00 32.13 H new ATOM 0 HD2 PHE A 125 -3.665 4.193 -2.613 1.00 62.00 H new ATOM 0 HE1 PHE A 125 0.927 5.941 -2.388 1.00 32.24 H new ATOM 0 HE2 PHE A 125 -1.965 3.007 -1.312 1.00 23.55 H new ATOM 0 HZ PHE A 125 0.333 3.873 -1.195 1.00 13.14 H new ATOM 1983 N ILE A 126 -4.798 4.411 -6.047 1.00 24.25 N ATOM 1984 CA ILE A 126 -5.244 3.057 -6.422 1.00 54.53 C ATOM 1985 C ILE A 126 -4.706 2.689 -7.814 1.00 65.22 C ATOM 1986 O ILE A 126 -4.239 1.575 -8.020 1.00 1.51 O ATOM 1987 CB ILE A 126 -6.816 2.948 -6.413 1.00 55.51 C ATOM 1988 CG1 ILE A 126 -7.381 3.233 -4.987 1.00 11.51 C ATOM 1989 CG2 ILE A 126 -7.300 1.565 -6.926 1.00 60.30 C ATOM 1990 CD1 ILE A 126 -8.884 3.412 -4.935 1.00 15.23 C ATOM 0 H ILE A 126 -5.567 5.061 -5.884 1.00 24.25 H new ATOM 0 HA ILE A 126 -4.849 2.359 -5.684 1.00 54.53 H new ATOM 0 HB ILE A 126 -7.199 3.705 -7.097 1.00 55.51 H new ATOM 0 HG12 ILE A 126 -7.102 2.411 -4.328 1.00 11.51 H new ATOM 0 HG13 ILE A 126 -6.906 4.132 -4.594 1.00 11.51 H new ATOM 0 HG21 ILE A 126 -8.389 1.530 -6.904 1.00 60.30 H new ATOM 0 HG22 ILE A 126 -6.952 1.414 -7.948 1.00 60.30 H new ATOM 0 HG23 ILE A 126 -6.899 0.779 -6.286 1.00 60.30 H new ATOM 0 HD11 ILE A 126 -9.192 3.606 -3.908 1.00 15.23 H new ATOM 0 HD12 ILE A 126 -9.172 4.253 -5.565 1.00 15.23 H new ATOM 0 HD13 ILE A 126 -9.371 2.506 -5.295 1.00 15.23 H new ATOM 2002 N SER A 127 -4.741 3.659 -8.750 1.00 33.10 N ATOM 2003 CA SER A 127 -4.260 3.446 -10.122 1.00 43.11 C ATOM 2004 C SER A 127 -2.719 3.357 -10.180 1.00 22.41 C ATOM 2005 O SER A 127 -2.182 2.707 -11.083 1.00 43.24 O ATOM 2006 CB SER A 127 -4.822 4.522 -11.074 1.00 51.34 C ATOM 2007 OG SER A 127 -4.685 5.813 -10.533 1.00 13.40 O ATOM 0 H SER A 127 -5.099 4.598 -8.576 1.00 33.10 H new ATOM 0 HA SER A 127 -4.636 2.482 -10.465 1.00 43.11 H new ATOM 0 HB2 SER A 127 -4.302 4.470 -12.030 1.00 51.34 H new ATOM 0 HB3 SER A 127 -5.875 4.320 -11.272 1.00 51.34 H new ATOM 0 HG SER A 127 -4.051 5.789 -9.786 1.00 13.40 H new ATOM 2013 N VAL A 128 -2.009 3.998 -9.214 1.00 33.55 N ATOM 2014 CA VAL A 128 -0.552 3.807 -9.048 1.00 13.41 C ATOM 2015 C VAL A 128 -0.265 2.342 -8.652 1.00 4.45 C ATOM 2016 O VAL A 128 0.561 1.670 -9.288 1.00 51.41 O ATOM 2017 CB VAL A 128 0.063 4.797 -7.980 1.00 53.31 C ATOM 2018 CG1 VAL A 128 1.545 4.472 -7.675 1.00 24.41 C ATOM 2019 CG2 VAL A 128 -0.086 6.262 -8.447 1.00 53.13 C ATOM 0 H VAL A 128 -2.423 4.647 -8.545 1.00 33.55 H new ATOM 0 HA VAL A 128 -0.075 4.032 -10.002 1.00 13.41 H new ATOM 0 HB VAL A 128 -0.497 4.664 -7.054 1.00 53.31 H new ATOM 0 HG11 VAL A 128 1.927 5.177 -6.936 1.00 24.41 H new ATOM 0 HG12 VAL A 128 1.622 3.458 -7.283 1.00 24.41 H new ATOM 0 HG13 VAL A 128 2.131 4.552 -8.591 1.00 24.41 H new ATOM 0 HG21 VAL A 128 0.343 6.928 -7.698 1.00 53.13 H new ATOM 0 HG22 VAL A 128 0.436 6.397 -9.394 1.00 53.13 H new ATOM 0 HG23 VAL A 128 -1.142 6.496 -8.578 1.00 53.13 H new ATOM 2029 N LEU A 129 -0.990 1.863 -7.611 1.00 44.41 N ATOM 2030 CA LEU A 129 -0.945 0.454 -7.165 1.00 71.01 C ATOM 2031 C LEU A 129 -1.270 -0.518 -8.318 1.00 30.40 C ATOM 2032 O LEU A 129 -0.604 -1.536 -8.470 1.00 73.31 O ATOM 2033 CB LEU A 129 -1.916 0.208 -5.977 1.00 31.14 C ATOM 2034 CG LEU A 129 -1.659 1.067 -4.701 1.00 21.24 C ATOM 2035 CD1 LEU A 129 -2.743 0.803 -3.639 1.00 15.30 C ATOM 2036 CD2 LEU A 129 -0.234 0.836 -4.129 1.00 23.01 C ATOM 0 H LEU A 129 -1.621 2.445 -7.059 1.00 44.41 H new ATOM 0 HA LEU A 129 0.074 0.260 -6.830 1.00 71.01 H new ATOM 0 HB2 LEU A 129 -2.934 0.396 -6.319 1.00 31.14 H new ATOM 0 HB3 LEU A 129 -1.862 -0.845 -5.700 1.00 31.14 H new ATOM 0 HG LEU A 129 -1.718 2.116 -4.990 1.00 21.24 H new ATOM 0 HD11 LEU A 129 -2.545 1.412 -2.757 1.00 15.30 H new ATOM 0 HD12 LEU A 129 -3.721 1.061 -4.045 1.00 15.30 H new ATOM 0 HD13 LEU A 129 -2.732 -0.251 -3.362 1.00 15.30 H new ATOM 0 HD21 LEU A 129 -0.094 1.452 -3.241 1.00 23.01 H new ATOM 0 HD22 LEU A 129 -0.114 -0.215 -3.864 1.00 23.01 H new ATOM 0 HD23 LEU A 129 0.508 1.108 -4.880 1.00 23.01 H new ATOM 2048 N GLU A 130 -2.272 -0.159 -9.146 1.00 22.31 N ATOM 2049 CA GLU A 130 -2.699 -0.963 -10.310 1.00 25.42 C ATOM 2050 C GLU A 130 -1.590 -1.103 -11.357 1.00 52.55 C ATOM 2051 O GLU A 130 -1.460 -2.159 -11.993 1.00 23.25 O ATOM 2052 CB GLU A 130 -3.964 -0.337 -10.949 1.00 33.04 C ATOM 2053 CG GLU A 130 -5.262 -0.617 -10.172 1.00 3.34 C ATOM 2054 CD GLU A 130 -5.615 -2.111 -10.126 1.00 24.34 C ATOM 2055 OE1 GLU A 130 -5.687 -2.735 -11.206 1.00 45.21 O ATOM 2056 OE2 GLU A 130 -5.845 -2.661 -9.025 1.00 43.44 O ATOM 0 H GLU A 130 -2.810 0.699 -9.026 1.00 22.31 H new ATOM 0 HA GLU A 130 -2.929 -1.965 -9.949 1.00 25.42 H new ATOM 0 HB2 GLU A 130 -3.824 0.741 -11.026 1.00 33.04 H new ATOM 0 HB3 GLU A 130 -4.072 -0.717 -11.965 1.00 33.04 H new ATOM 0 HG2 GLU A 130 -5.160 -0.241 -9.154 1.00 3.34 H new ATOM 0 HG3 GLU A 130 -6.083 -0.068 -10.634 1.00 3.34 H new ATOM 2063 N THR A 131 -0.808 -0.026 -11.534 1.00 3.55 N ATOM 2064 CA THR A 131 0.366 -0.046 -12.411 1.00 33.21 C ATOM 2065 C THR A 131 1.403 -1.059 -11.886 1.00 63.44 C ATOM 2066 O THR A 131 1.867 -1.918 -12.630 1.00 25.21 O ATOM 2067 CB THR A 131 1.018 1.373 -12.528 1.00 22.34 C ATOM 2068 OG1 THR A 131 0.004 2.342 -12.818 1.00 11.33 O ATOM 2069 CG2 THR A 131 2.075 1.436 -13.642 1.00 52.21 C ATOM 0 H THR A 131 -0.972 0.871 -11.078 1.00 3.55 H new ATOM 0 HA THR A 131 0.035 -0.348 -13.405 1.00 33.21 H new ATOM 0 HB THR A 131 1.505 1.584 -11.576 1.00 22.34 H new ATOM 0 HG1 THR A 131 -0.584 2.443 -12.041 1.00 11.33 H new ATOM 0 HG21 THR A 131 2.499 2.439 -13.685 1.00 52.21 H new ATOM 0 HG22 THR A 131 2.866 0.716 -13.434 1.00 52.21 H new ATOM 0 HG23 THR A 131 1.610 1.197 -14.599 1.00 52.21 H new ATOM 2077 N VAL A 132 1.685 -0.990 -10.569 1.00 50.13 N ATOM 2078 CA VAL A 132 2.714 -1.837 -9.925 1.00 20.35 C ATOM 2079 C VAL A 132 2.339 -3.341 -9.987 1.00 61.14 C ATOM 2080 O VAL A 132 3.126 -4.173 -10.456 1.00 53.41 O ATOM 2081 CB VAL A 132 2.971 -1.401 -8.431 1.00 71.42 C ATOM 2082 CG1 VAL A 132 4.121 -2.226 -7.809 1.00 20.10 C ATOM 2083 CG2 VAL A 132 3.261 0.118 -8.350 1.00 62.13 C ATOM 0 H VAL A 132 1.213 -0.354 -9.927 1.00 50.13 H new ATOM 0 HA VAL A 132 3.636 -1.693 -10.488 1.00 20.35 H new ATOM 0 HB VAL A 132 2.069 -1.602 -7.853 1.00 71.42 H new ATOM 0 HG11 VAL A 132 4.281 -1.908 -6.779 1.00 20.10 H new ATOM 0 HG12 VAL A 132 3.860 -3.284 -7.826 1.00 20.10 H new ATOM 0 HG13 VAL A 132 5.034 -2.068 -8.383 1.00 20.10 H new ATOM 0 HG21 VAL A 132 3.436 0.400 -7.312 1.00 62.13 H new ATOM 0 HG22 VAL A 132 4.145 0.352 -8.943 1.00 62.13 H new ATOM 0 HG23 VAL A 132 2.407 0.673 -8.738 1.00 62.13 H new ATOM 2093 N ILE A 133 1.102 -3.642 -9.551 1.00 40.44 N ATOM 2094 CA ILE A 133 0.566 -5.014 -9.447 1.00 50.40 C ATOM 2095 C ILE A 133 0.395 -5.636 -10.857 1.00 11.22 C ATOM 2096 O ILE A 133 0.799 -6.783 -11.097 1.00 74.22 O ATOM 2097 CB ILE A 133 -0.815 -5.013 -8.661 1.00 24.54 C ATOM 2098 CG1 ILE A 133 -0.619 -4.482 -7.195 1.00 73.11 C ATOM 2099 CG2 ILE A 133 -1.488 -6.411 -8.662 1.00 41.01 C ATOM 2100 CD1 ILE A 133 -1.900 -4.384 -6.375 1.00 75.30 C ATOM 0 H ILE A 133 0.435 -2.928 -9.256 1.00 40.44 H new ATOM 0 HA ILE A 133 1.276 -5.623 -8.888 1.00 50.40 H new ATOM 0 HB ILE A 133 -1.488 -4.336 -9.187 1.00 24.54 H new ATOM 0 HG12 ILE A 133 0.079 -5.139 -6.676 1.00 73.11 H new ATOM 0 HG13 ILE A 133 -0.156 -3.496 -7.239 1.00 73.11 H new ATOM 0 HG21 ILE A 133 -2.429 -6.362 -8.113 1.00 41.01 H new ATOM 0 HG22 ILE A 133 -1.682 -6.721 -9.689 1.00 41.01 H new ATOM 0 HG23 ILE A 133 -0.826 -7.134 -8.184 1.00 41.01 H new ATOM 0 HD11 ILE A 133 -1.666 -4.009 -5.379 1.00 75.30 H new ATOM 0 HD12 ILE A 133 -2.595 -3.703 -6.866 1.00 75.30 H new ATOM 0 HD13 ILE A 133 -2.356 -5.371 -6.293 1.00 75.30 H new ATOM 2112 N GLY A 134 -0.158 -4.827 -11.791 1.00 22.14 N ATOM 2113 CA GLY A 134 -0.383 -5.257 -13.176 1.00 51.42 C ATOM 2114 C GLY A 134 0.898 -5.632 -13.910 1.00 41.34 C ATOM 2115 O GLY A 134 0.920 -6.607 -14.667 1.00 73.23 O ATOM 0 H GLY A 134 -0.455 -3.870 -11.601 1.00 22.14 H new ATOM 0 HA2 GLY A 134 -1.057 -6.113 -13.177 1.00 51.42 H new ATOM 0 HA3 GLY A 134 -0.883 -4.456 -13.720 1.00 51.42 H new ATOM 2119 N THR A 135 1.979 -4.866 -13.648 1.00 53.22 N ATOM 2120 CA THR A 135 3.317 -5.097 -14.244 1.00 14.21 C ATOM 2121 C THR A 135 3.957 -6.437 -13.760 1.00 42.01 C ATOM 2122 O THR A 135 4.879 -6.973 -14.386 1.00 5.44 O ATOM 2123 CB THR A 135 4.243 -3.870 -13.933 1.00 33.14 C ATOM 2124 OG1 THR A 135 3.622 -2.672 -14.453 1.00 13.12 O ATOM 2125 CG2 THR A 135 5.659 -3.992 -14.539 1.00 74.01 C ATOM 0 H THR A 135 1.950 -4.067 -13.015 1.00 53.22 H new ATOM 0 HA THR A 135 3.201 -5.192 -15.324 1.00 14.21 H new ATOM 0 HB THR A 135 4.361 -3.833 -12.850 1.00 33.14 H new ATOM 0 HG1 THR A 135 3.050 -2.274 -13.764 1.00 13.12 H new ATOM 0 HG21 THR A 135 6.242 -3.107 -14.283 1.00 74.01 H new ATOM 0 HG22 THR A 135 6.151 -4.879 -14.139 1.00 74.01 H new ATOM 0 HG23 THR A 135 5.585 -4.076 -15.623 1.00 74.01 H new ATOM 2133 N ILE A 136 3.443 -6.974 -12.645 1.00 72.22 N ATOM 2134 CA ILE A 136 3.860 -8.280 -12.094 1.00 53.11 C ATOM 2135 C ILE A 136 2.966 -9.403 -12.660 1.00 44.13 C ATOM 2136 O ILE A 136 3.416 -10.543 -12.853 1.00 53.43 O ATOM 2137 CB ILE A 136 3.781 -8.244 -10.532 1.00 71.31 C ATOM 2138 CG1 ILE A 136 4.695 -7.105 -9.991 1.00 60.43 C ATOM 2139 CG2 ILE A 136 4.146 -9.610 -9.895 1.00 21.23 C ATOM 2140 CD1 ILE A 136 4.594 -6.901 -8.509 1.00 31.40 C ATOM 0 H ILE A 136 2.720 -6.514 -12.092 1.00 72.22 H new ATOM 0 HA ILE A 136 4.890 -8.482 -12.386 1.00 53.11 H new ATOM 0 HB ILE A 136 2.749 -8.040 -10.248 1.00 71.31 H new ATOM 0 HG12 ILE A 136 5.730 -7.330 -10.248 1.00 60.43 H new ATOM 0 HG13 ILE A 136 4.436 -6.174 -10.495 1.00 60.43 H new ATOM 0 HG21 ILE A 136 4.077 -9.535 -8.810 1.00 21.23 H new ATOM 0 HG22 ILE A 136 3.455 -10.374 -10.251 1.00 21.23 H new ATOM 0 HG23 ILE A 136 5.163 -9.882 -10.176 1.00 21.23 H new ATOM 0 HD11 ILE A 136 5.259 -6.092 -8.207 1.00 31.40 H new ATOM 0 HD12 ILE A 136 3.568 -6.644 -8.246 1.00 31.40 H new ATOM 0 HD13 ILE A 136 4.882 -7.818 -7.995 1.00 31.40 H new