USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 676 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 61 TYR OH : rot -111:sc= 0.135 USER MOD Set 1.2: B 66 GLN : amide:sc= 0.708 K(o=0.84,f=-0.36) USER MOD Set 2.1: A 66 GLN : amide:sc= 0.326 K(o=0.76,f=0.048) USER MOD Set 2.2: B 61 TYR OH : rot 50:sc= 0.436 USER MOD Set 3.1: A 29 MET CE :methyl -114:sc= 0 (180deg=-1.52!) USER MOD Set 3.2: A 33 TYR OH : rot -140:sc= 0.775 USER MOD Set 3.3: B 33 TYR OH : rot 103:sc= 0.881 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 32 CYS SG : rot 81:sc= 0.201 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.34) USER MOD Single : B 29 MET CE :methyl -150:sc= -0.183 (180deg=-1.91!) USER MOD Single : B 30 ASN : amide:sc=-0.000288 X(o=-0.00029,f=-0.21) USER MOD Single : B 31 HIS : no HD1:sc= 0.493 K(o=0.49,f=-6.5!) USER MOD Single : B 32 CYS SG : rot 79:sc= 0.293 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -160:sc= -0.282 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : B 56 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 10.386 12.282 5.687 1.00 2.33 N ATOM 372 CA ASP A 27 10.265 11.742 4.311 1.00 21.24 C ATOM 373 C ASP A 27 9.975 10.226 4.285 1.00 53.42 C ATOM 374 O ASP A 27 10.225 9.571 3.279 1.00 21.21 O ATOM 375 CB ASP A 27 11.521 12.092 3.445 1.00 42.33 C ATOM 376 CG ASP A 27 11.569 13.573 3.047 1.00 14.12 C ATOM 377 OD1 ASP A 27 10.996 13.930 1.992 1.00 54.12 O ATOM 378 OD2 ASP A 27 12.149 14.389 3.792 1.00 73.11 O ATOM 0 HA ASP A 27 9.399 12.232 3.866 1.00 21.24 H new ATOM 0 HB2 ASP A 27 12.423 11.840 4.002 1.00 42.33 H new ATOM 0 HB3 ASP A 27 11.520 11.477 2.545 1.00 42.33 H new ATOM 383 N ASP A 28 9.408 9.678 5.383 1.00 0.34 N ATOM 384 CA ASP A 28 9.063 8.244 5.461 1.00 71.12 C ATOM 385 C ASP A 28 7.986 7.881 4.417 1.00 1.42 C ATOM 386 O ASP A 28 7.994 6.792 3.874 1.00 3.12 O ATOM 387 CB ASP A 28 8.600 7.867 6.884 1.00 23.41 C ATOM 388 CG ASP A 28 8.491 6.343 7.067 1.00 34.20 C ATOM 389 OD1 ASP A 28 9.543 5.666 7.075 1.00 73.01 O ATOM 390 OD2 ASP A 28 7.372 5.816 7.138 1.00 74.40 O ATOM 0 H ASP A 28 9.181 10.207 6.225 1.00 0.34 H new ATOM 0 HA ASP A 28 9.960 7.667 5.235 1.00 71.12 H new ATOM 0 HB2 ASP A 28 9.302 8.271 7.613 1.00 23.41 H new ATOM 0 HB3 ASP A 28 7.632 8.327 7.085 1.00 23.41 H new ATOM 395 N MET A 29 7.070 8.833 4.143 1.00 43.22 N ATOM 396 CA MET A 29 6.085 8.731 3.044 1.00 32.04 C ATOM 397 C MET A 29 6.779 8.646 1.651 1.00 52.45 C ATOM 398 O MET A 29 6.342 7.884 0.788 1.00 32.11 O ATOM 399 CB MET A 29 5.103 9.939 3.121 1.00 52.44 C ATOM 400 CG MET A 29 4.206 10.146 1.890 1.00 75.43 C ATOM 401 SD MET A 29 2.837 11.282 2.186 1.00 23.54 S ATOM 402 CE MET A 29 1.720 10.237 3.129 1.00 21.30 C ATOM 0 H MET A 29 6.992 9.697 4.679 1.00 43.22 H new ATOM 0 HA MET A 29 5.521 7.806 3.163 1.00 32.04 H new ATOM 0 HB2 MET A 29 4.465 9.810 3.995 1.00 52.44 H new ATOM 0 HB3 MET A 29 5.684 10.847 3.281 1.00 52.44 H new ATOM 0 HG2 MET A 29 4.812 10.525 1.067 1.00 75.43 H new ATOM 0 HG3 MET A 29 3.807 9.182 1.574 1.00 75.43 H new ATOM 0 HE1 MET A 29 0.814 10.058 2.550 1.00 21.30 H new ATOM 0 HE2 MET A 29 2.207 9.286 3.345 1.00 21.30 H new ATOM 0 HE3 MET A 29 1.461 10.733 4.065 1.00 21.30 H new ATOM 412 N ASN A 30 7.868 9.425 1.463 1.00 2.11 N ATOM 413 CA ASN A 30 8.704 9.391 0.228 1.00 52.10 C ATOM 414 C ASN A 30 9.380 8.000 0.056 1.00 53.04 C ATOM 415 O ASN A 30 9.286 7.380 -1.009 1.00 61.13 O ATOM 416 CB ASN A 30 9.774 10.526 0.294 1.00 54.10 C ATOM 417 CG ASN A 30 10.777 10.535 -0.868 1.00 54.32 C ATOM 418 OD1 ASN A 30 10.454 10.181 -1.996 1.00 64.00 O ATOM 419 ND2 ASN A 30 12.004 10.941 -0.599 1.00 1.20 N ATOM 0 H ASN A 30 8.197 10.096 2.158 1.00 2.11 H new ATOM 0 HA ASN A 30 8.065 9.556 -0.640 1.00 52.10 H new ATOM 0 HB2 ASN A 30 9.262 11.488 0.320 1.00 54.10 H new ATOM 0 HB3 ASN A 30 10.325 10.433 1.230 1.00 54.10 H new ATOM 0 HD21 ASN A 30 12.707 10.965 -1.338 1.00 1.20 H new ATOM 0 HD22 ASN A 30 12.249 11.231 0.348 1.00 1.20 H new ATOM 426 N HIS A 31 10.037 7.528 1.135 1.00 50.34 N ATOM 427 CA HIS A 31 10.744 6.221 1.166 1.00 30.43 C ATOM 428 C HIS A 31 9.765 5.026 1.039 1.00 65.42 C ATOM 429 O HIS A 31 10.094 4.008 0.415 1.00 61.30 O ATOM 430 CB HIS A 31 11.599 6.102 2.454 1.00 73.44 C ATOM 431 CG HIS A 31 12.781 7.042 2.465 1.00 24.15 C ATOM 432 ND1 HIS A 31 13.842 6.841 1.618 1.00 24.54 N ATOM 433 CD2 HIS A 31 13.012 8.166 3.193 1.00 5.35 C ATOM 434 CE1 HIS A 31 14.678 7.828 1.844 1.00 53.44 C ATOM 435 NE2 HIS A 31 14.224 8.655 2.792 1.00 4.32 N ATOM 0 H HIS A 31 10.095 8.041 2.015 1.00 50.34 H new ATOM 0 HA HIS A 31 11.405 6.183 0.300 1.00 30.43 H new ATOM 0 HB2 HIS A 31 10.971 6.306 3.321 1.00 73.44 H new ATOM 0 HB3 HIS A 31 11.956 5.077 2.554 1.00 73.44 H new ATOM 0 HD2 HIS A 31 12.363 8.591 3.944 1.00 5.35 H new ATOM 0 HE1 HIS A 31 15.618 7.956 1.327 1.00 53.44 H new ATOM 0 HE2 HIS A 31 14.692 9.489 3.147 1.00 4.32 H new ATOM 443 N CYS A 32 8.564 5.180 1.628 1.00 40.40 N ATOM 444 CA CYS A 32 7.472 4.186 1.538 1.00 4.32 C ATOM 445 C CYS A 32 6.938 4.071 0.101 1.00 53.00 C ATOM 446 O CYS A 32 6.911 2.978 -0.456 1.00 63.24 O ATOM 447 CB CYS A 32 6.313 4.509 2.520 1.00 5.32 C ATOM 448 SG CYS A 32 6.650 4.100 4.257 1.00 63.00 S ATOM 0 H CYS A 32 8.321 6.001 2.183 1.00 40.40 H new ATOM 0 HA CYS A 32 7.897 3.224 1.827 1.00 4.32 H new ATOM 0 HB2 CYS A 32 6.082 5.572 2.450 1.00 5.32 H new ATOM 0 HB3 CYS A 32 5.423 3.967 2.200 1.00 5.32 H new ATOM 0 HG CYS A 32 7.365 5.043 4.794 1.00 63.00 H new ATOM 454 N TYR A 33 6.543 5.215 -0.491 1.00 3.11 N ATOM 455 CA TYR A 33 6.040 5.277 -1.888 1.00 63.22 C ATOM 456 C TYR A 33 7.083 4.777 -2.916 1.00 73.43 C ATOM 457 O TYR A 33 6.715 4.154 -3.911 1.00 2.30 O ATOM 458 CB TYR A 33 5.560 6.719 -2.248 1.00 23.11 C ATOM 459 CG TYR A 33 4.128 7.068 -1.783 1.00 15.21 C ATOM 460 CD1 TYR A 33 3.085 6.157 -1.948 1.00 4.11 C ATOM 461 CD2 TYR A 33 3.802 8.322 -1.248 1.00 4.43 C ATOM 462 CE1 TYR A 33 1.792 6.469 -1.593 1.00 63.12 C ATOM 463 CE2 TYR A 33 2.507 8.631 -0.882 1.00 4.51 C ATOM 464 CZ TYR A 33 1.505 7.704 -1.062 1.00 63.34 C ATOM 465 OH TYR A 33 0.218 8.013 -0.706 1.00 3.43 O ATOM 0 H TYR A 33 6.561 6.121 -0.022 1.00 3.11 H new ATOM 0 HA TYR A 33 5.187 4.601 -1.943 1.00 63.22 H new ATOM 0 HB2 TYR A 33 6.253 7.436 -1.808 1.00 23.11 H new ATOM 0 HB3 TYR A 33 5.615 6.844 -3.329 1.00 23.11 H new ATOM 0 HD1 TYR A 33 3.297 5.183 -2.364 1.00 4.11 H new ATOM 0 HD2 TYR A 33 4.579 9.061 -1.120 1.00 4.43 H new ATOM 0 HE1 TYR A 33 1.004 5.744 -1.732 1.00 63.12 H new ATOM 0 HE2 TYR A 33 2.281 9.597 -0.456 1.00 4.51 H new ATOM 0 HH TYR A 33 0.023 8.940 -0.956 1.00 3.43 H new ATOM 475 N SER A 34 8.374 5.059 -2.664 1.00 53.50 N ATOM 476 CA SER A 34 9.488 4.568 -3.512 1.00 1.31 C ATOM 477 C SER A 34 9.568 3.023 -3.483 1.00 45.33 C ATOM 478 O SER A 34 9.597 2.377 -4.531 1.00 54.22 O ATOM 479 CB SER A 34 10.831 5.185 -3.059 1.00 64.33 C ATOM 480 OG SER A 34 11.904 4.785 -3.902 1.00 11.13 O ATOM 0 H SER A 34 8.678 5.629 -1.875 1.00 53.50 H new ATOM 0 HA SER A 34 9.291 4.880 -4.538 1.00 1.31 H new ATOM 0 HB2 SER A 34 10.752 6.272 -3.062 1.00 64.33 H new ATOM 0 HB3 SER A 34 11.042 4.884 -2.033 1.00 64.33 H new ATOM 0 HG SER A 34 12.737 5.194 -3.588 1.00 11.13 H new ATOM 486 N ARG A 35 9.548 2.458 -2.259 1.00 15.34 N ATOM 487 CA ARG A 35 9.574 1.005 -2.010 1.00 21.33 C ATOM 488 C ARG A 35 8.336 0.288 -2.616 1.00 23.42 C ATOM 489 O ARG A 35 8.451 -0.826 -3.144 1.00 53.22 O ATOM 490 CB ARG A 35 9.639 0.790 -0.472 1.00 2.20 C ATOM 491 CG ARG A 35 9.719 -0.673 -0.002 1.00 51.45 C ATOM 492 CD ARG A 35 11.013 -1.391 -0.447 1.00 42.34 C ATOM 493 NE ARG A 35 11.180 -2.681 0.247 1.00 31.35 N ATOM 494 CZ ARG A 35 12.066 -3.606 -0.048 1.00 50.32 C ATOM 495 NH1 ARG A 35 12.817 -3.526 -1.096 1.00 50.13 N ATOM 496 NH2 ARG A 35 12.185 -4.633 0.721 1.00 4.02 N ATOM 0 H ARG A 35 9.513 3.010 -1.402 1.00 15.34 H new ATOM 0 HA ARG A 35 10.447 0.569 -2.496 1.00 21.33 H new ATOM 0 HB2 ARG A 35 10.508 1.324 -0.086 1.00 2.20 H new ATOM 0 HB3 ARG A 35 8.758 1.248 -0.023 1.00 2.20 H new ATOM 0 HG2 ARG A 35 9.652 -0.702 1.086 1.00 51.45 H new ATOM 0 HG3 ARG A 35 8.858 -1.219 -0.389 1.00 51.45 H new ATOM 0 HD2 ARG A 35 10.987 -1.557 -1.524 1.00 42.34 H new ATOM 0 HD3 ARG A 35 11.873 -0.753 -0.244 1.00 42.34 H new ATOM 0 HE ARG A 35 10.551 -2.873 1.027 1.00 31.35 H new ATOM 0 HH11 ARG A 35 12.732 -2.727 -1.724 1.00 50.13 H new ATOM 0 HH12 ARG A 35 13.495 -4.262 -1.295 1.00 50.13 H new ATOM 0 HH21 ARG A 35 11.595 -4.722 1.548 1.00 4.02 H new ATOM 0 HH22 ARG A 35 12.869 -5.357 0.502 1.00 4.02 H new ATOM 510 N LEU A 36 7.163 0.949 -2.531 1.00 61.14 N ATOM 511 CA LEU A 36 5.903 0.445 -3.114 1.00 2.20 C ATOM 512 C LEU A 36 6.023 0.318 -4.647 1.00 33.24 C ATOM 513 O LEU A 36 5.781 -0.748 -5.182 1.00 54.44 O ATOM 514 CB LEU A 36 4.703 1.357 -2.722 1.00 43.32 C ATOM 515 CG LEU A 36 4.309 1.353 -1.202 1.00 31.10 C ATOM 516 CD1 LEU A 36 3.187 2.373 -0.904 1.00 3.32 C ATOM 517 CD2 LEU A 36 3.916 -0.071 -0.719 1.00 71.30 C ATOM 0 H LEU A 36 7.063 1.846 -2.057 1.00 61.14 H new ATOM 0 HA LEU A 36 5.714 -0.548 -2.706 1.00 2.20 H new ATOM 0 HB2 LEU A 36 4.938 2.380 -3.014 1.00 43.32 H new ATOM 0 HB3 LEU A 36 3.834 1.051 -3.304 1.00 43.32 H new ATOM 0 HG LEU A 36 5.191 1.660 -0.640 1.00 31.10 H new ATOM 0 HD11 LEU A 36 2.940 2.343 0.157 1.00 3.32 H new ATOM 0 HD12 LEU A 36 3.526 3.374 -1.169 1.00 3.32 H new ATOM 0 HD13 LEU A 36 2.302 2.122 -1.490 1.00 3.32 H new ATOM 0 HD21 LEU A 36 3.649 -0.036 0.337 1.00 71.30 H new ATOM 0 HD22 LEU A 36 3.064 -0.429 -1.297 1.00 71.30 H new ATOM 0 HD23 LEU A 36 4.759 -0.748 -0.858 1.00 71.30 H new ATOM 529 N ARG A 37 6.476 1.394 -5.327 1.00 30.14 N ATOM 530 CA ARG A 37 6.665 1.405 -6.811 1.00 11.31 C ATOM 531 C ARG A 37 7.617 0.281 -7.317 1.00 24.00 C ATOM 532 O ARG A 37 7.554 -0.124 -8.483 1.00 34.35 O ATOM 533 CB ARG A 37 7.208 2.774 -7.277 1.00 30.12 C ATOM 534 CG ARG A 37 6.228 3.943 -7.063 1.00 63.50 C ATOM 535 CD ARG A 37 6.781 5.281 -7.576 1.00 72.24 C ATOM 536 NE ARG A 37 8.073 5.649 -6.945 1.00 12.43 N ATOM 537 CZ ARG A 37 8.356 6.803 -6.373 1.00 52.35 C ATOM 538 NH1 ARG A 37 7.463 7.738 -6.246 1.00 24.14 N ATOM 539 NH2 ARG A 37 9.551 7.013 -5.918 1.00 42.13 N ATOM 0 H ARG A 37 6.721 2.276 -4.876 1.00 30.14 H new ATOM 0 HA ARG A 37 5.681 1.220 -7.241 1.00 11.31 H new ATOM 0 HB2 ARG A 37 8.134 2.987 -6.742 1.00 30.12 H new ATOM 0 HB3 ARG A 37 7.458 2.713 -8.336 1.00 30.12 H new ATOM 0 HG2 ARG A 37 5.290 3.723 -7.572 1.00 63.50 H new ATOM 0 HG3 ARG A 37 6.001 4.032 -6.001 1.00 63.50 H new ATOM 0 HD2 ARG A 37 6.913 5.224 -8.657 1.00 72.24 H new ATOM 0 HD3 ARG A 37 6.051 6.068 -7.385 1.00 72.24 H new ATOM 0 HE ARG A 37 8.810 4.944 -6.955 1.00 12.43 H new ATOM 0 HH11 ARG A 37 6.516 7.589 -6.593 1.00 24.14 H new ATOM 0 HH12 ARG A 37 7.709 8.621 -5.799 1.00 24.14 H new ATOM 0 HH21 ARG A 37 10.264 6.289 -6.004 1.00 42.13 H new ATOM 0 HH22 ARG A 37 9.779 7.903 -5.474 1.00 42.13 H new ATOM 553 N GLU A 38 8.486 -0.212 -6.413 1.00 2.53 N ATOM 554 CA GLU A 38 9.497 -1.248 -6.729 1.00 13.54 C ATOM 555 C GLU A 38 8.916 -2.674 -6.550 1.00 15.31 C ATOM 556 O GLU A 38 9.293 -3.604 -7.266 1.00 34.03 O ATOM 557 CB GLU A 38 10.747 -1.044 -5.826 1.00 22.52 C ATOM 558 CG GLU A 38 11.510 0.283 -6.047 1.00 61.33 C ATOM 559 CD GLU A 38 12.118 0.420 -7.456 1.00 54.10 C ATOM 560 OE1 GLU A 38 13.265 -0.039 -7.676 1.00 54.43 O ATOM 561 OE2 GLU A 38 11.458 0.978 -8.362 1.00 62.11 O ATOM 0 H GLU A 38 8.509 0.095 -5.441 1.00 2.53 H new ATOM 0 HA GLU A 38 9.788 -1.145 -7.774 1.00 13.54 H new ATOM 0 HB2 GLU A 38 10.434 -1.095 -4.783 1.00 22.52 H new ATOM 0 HB3 GLU A 38 11.435 -1.872 -5.993 1.00 22.52 H new ATOM 0 HG2 GLU A 38 10.830 1.117 -5.872 1.00 61.33 H new ATOM 0 HG3 GLU A 38 12.307 0.361 -5.308 1.00 61.33 H new ATOM 568 N LEU A 39 7.994 -2.821 -5.583 1.00 12.33 N ATOM 569 CA LEU A 39 7.301 -4.104 -5.292 1.00 72.04 C ATOM 570 C LEU A 39 6.039 -4.298 -6.170 1.00 71.35 C ATOM 571 O LEU A 39 5.626 -5.434 -6.433 1.00 11.53 O ATOM 572 CB LEU A 39 6.931 -4.166 -3.783 1.00 73.30 C ATOM 573 CG LEU A 39 8.149 -4.210 -2.794 1.00 2.52 C ATOM 574 CD1 LEU A 39 7.695 -4.067 -1.319 1.00 73.13 C ATOM 575 CD2 LEU A 39 8.982 -5.506 -2.997 1.00 11.41 C ATOM 0 H LEU A 39 7.702 -2.056 -4.975 1.00 12.33 H new ATOM 0 HA LEU A 39 7.985 -4.918 -5.535 1.00 72.04 H new ATOM 0 HB2 LEU A 39 6.318 -3.298 -3.540 1.00 73.30 H new ATOM 0 HB3 LEU A 39 6.314 -5.049 -3.613 1.00 73.30 H new ATOM 0 HG LEU A 39 8.787 -3.356 -3.022 1.00 2.52 H new ATOM 0 HD11 LEU A 39 8.566 -4.102 -0.665 1.00 73.13 H new ATOM 0 HD12 LEU A 39 7.181 -3.115 -1.187 1.00 73.13 H new ATOM 0 HD13 LEU A 39 7.018 -4.883 -1.066 1.00 73.13 H new ATOM 0 HD21 LEU A 39 9.820 -5.513 -2.300 1.00 11.41 H new ATOM 0 HD22 LEU A 39 8.351 -6.376 -2.815 1.00 11.41 H new ATOM 0 HD23 LEU A 39 9.360 -5.539 -4.019 1.00 11.41 H new ATOM 587 N VAL A 40 5.449 -3.184 -6.630 1.00 15.14 N ATOM 588 CA VAL A 40 4.196 -3.185 -7.416 1.00 34.21 C ATOM 589 C VAL A 40 4.476 -3.218 -8.946 1.00 43.34 C ATOM 590 O VAL A 40 5.116 -2.300 -9.470 1.00 25.22 O ATOM 591 CB VAL A 40 3.307 -1.922 -7.080 1.00 33.33 C ATOM 592 CG1 VAL A 40 2.015 -1.875 -7.934 1.00 31.04 C ATOM 593 CG2 VAL A 40 2.971 -1.867 -5.570 1.00 64.11 C ATOM 0 H VAL A 40 5.826 -2.250 -6.469 1.00 15.14 H new ATOM 0 HA VAL A 40 3.656 -4.090 -7.138 1.00 34.21 H new ATOM 0 HB VAL A 40 3.895 -1.040 -7.335 1.00 33.33 H new ATOM 0 HG11 VAL A 40 1.436 -0.991 -7.669 1.00 31.04 H new ATOM 0 HG12 VAL A 40 2.279 -1.833 -8.991 1.00 31.04 H new ATOM 0 HG13 VAL A 40 1.420 -2.769 -7.744 1.00 31.04 H new ATOM 0 HG21 VAL A 40 2.359 -0.989 -5.365 1.00 64.11 H new ATOM 0 HG22 VAL A 40 2.423 -2.766 -5.286 1.00 64.11 H new ATOM 0 HG23 VAL A 40 3.894 -1.808 -4.994 1.00 64.11 H new ATOM 603 N PRO A 41 4.001 -4.277 -9.685 1.00 10.14 N ATOM 604 CA PRO A 41 4.007 -4.297 -11.172 1.00 24.44 C ATOM 605 C PRO A 41 2.849 -3.451 -11.782 1.00 75.34 C ATOM 606 O PRO A 41 1.967 -2.959 -11.064 1.00 62.33 O ATOM 607 CB PRO A 41 3.856 -5.817 -11.523 1.00 4.02 C ATOM 608 CG PRO A 41 3.882 -6.548 -10.203 1.00 11.23 C ATOM 609 CD PRO A 41 3.461 -5.546 -9.155 1.00 1.43 C ATOM 0 HA PRO A 41 4.913 -3.853 -11.585 1.00 24.44 H new ATOM 0 HB2 PRO A 41 2.924 -6.005 -12.056 1.00 4.02 H new ATOM 0 HB3 PRO A 41 4.666 -6.151 -12.171 1.00 4.02 H new ATOM 0 HG2 PRO A 41 3.205 -7.402 -10.218 1.00 11.23 H new ATOM 0 HG3 PRO A 41 4.879 -6.935 -9.993 1.00 11.23 H new ATOM 0 HD2 PRO A 41 2.378 -5.509 -9.042 1.00 1.43 H new ATOM 0 HD3 PRO A 41 3.876 -5.785 -8.176 1.00 1.43 H new ATOM 617 N GLY A 42 2.853 -3.301 -13.123 1.00 64.34 N ATOM 618 CA GLY A 42 1.855 -2.468 -13.824 1.00 73.43 C ATOM 619 C GLY A 42 2.135 -0.956 -13.752 1.00 74.40 C ATOM 620 O GLY A 42 1.304 -0.148 -14.182 1.00 14.21 O ATOM 0 H GLY A 42 3.534 -3.744 -13.740 1.00 64.34 H new ATOM 0 HA2 GLY A 42 1.817 -2.770 -14.871 1.00 73.43 H new ATOM 0 HA3 GLY A 42 0.871 -2.665 -13.399 1.00 73.43 H new ATOM 624 N VAL A 43 3.297 -0.582 -13.184 1.00 14.05 N ATOM 625 CA VAL A 43 3.779 0.816 -13.143 1.00 70.14 C ATOM 626 C VAL A 43 4.650 1.101 -14.402 1.00 45.33 C ATOM 627 O VAL A 43 5.739 0.527 -14.531 1.00 62.14 O ATOM 628 CB VAL A 43 4.619 1.096 -11.832 1.00 33.23 C ATOM 629 CG1 VAL A 43 5.141 2.559 -11.789 1.00 31.02 C ATOM 630 CG2 VAL A 43 3.796 0.755 -10.562 1.00 2.14 C ATOM 0 H VAL A 43 3.933 -1.243 -12.738 1.00 14.05 H new ATOM 0 HA VAL A 43 2.913 1.478 -13.135 1.00 70.14 H new ATOM 0 HB VAL A 43 5.491 0.442 -11.853 1.00 33.23 H new ATOM 0 HG11 VAL A 43 5.713 2.714 -10.874 1.00 31.02 H new ATOM 0 HG12 VAL A 43 5.780 2.743 -12.653 1.00 31.02 H new ATOM 0 HG13 VAL A 43 4.296 3.247 -11.810 1.00 31.02 H new ATOM 0 HG21 VAL A 43 4.396 0.956 -9.675 1.00 2.14 H new ATOM 0 HG22 VAL A 43 2.895 1.368 -10.537 1.00 2.14 H new ATOM 0 HG23 VAL A 43 3.518 -0.299 -10.581 1.00 2.14 H new ATOM 640 N PRO A 44 4.180 1.954 -15.374 1.00 31.40 N ATOM 641 CA PRO A 44 4.978 2.301 -16.585 1.00 2.35 C ATOM 642 C PRO A 44 6.227 3.162 -16.240 1.00 72.23 C ATOM 643 O PRO A 44 6.135 4.112 -15.451 1.00 13.15 O ATOM 644 CB PRO A 44 3.966 3.076 -17.489 1.00 63.51 C ATOM 645 CG PRO A 44 2.613 2.796 -16.887 1.00 24.03 C ATOM 646 CD PRO A 44 2.858 2.632 -15.403 1.00 33.43 C ATOM 0 HA PRO A 44 5.388 1.419 -17.077 1.00 2.35 H new ATOM 0 HB2 PRO A 44 4.181 4.144 -17.497 1.00 63.51 H new ATOM 0 HB3 PRO A 44 4.017 2.733 -18.522 1.00 63.51 H new ATOM 0 HG2 PRO A 44 1.919 3.614 -17.082 1.00 24.03 H new ATOM 0 HG3 PRO A 44 2.172 1.895 -17.314 1.00 24.03 H new ATOM 0 HD2 PRO A 44 2.881 3.591 -14.886 1.00 33.43 H new ATOM 0 HD3 PRO A 44 2.083 2.032 -14.927 1.00 33.43 H new ATOM 654 N ARG A 45 7.381 2.814 -16.844 1.00 12.40 N ATOM 655 CA ARG A 45 8.672 3.507 -16.603 1.00 52.04 C ATOM 656 C ARG A 45 8.650 4.970 -17.107 1.00 31.42 C ATOM 657 O ARG A 45 9.323 5.839 -16.537 1.00 50.53 O ATOM 658 CB ARG A 45 9.831 2.717 -17.274 1.00 45.51 C ATOM 659 CG ARG A 45 10.104 1.327 -16.655 1.00 41.40 C ATOM 660 CD ARG A 45 10.484 1.409 -15.166 1.00 32.33 C ATOM 661 NE ARG A 45 10.843 0.089 -14.615 1.00 30.14 N ATOM 662 CZ ARG A 45 12.049 -0.278 -14.226 1.00 41.51 C ATOM 663 NH1 ARG A 45 13.060 0.520 -14.330 1.00 13.33 N ATOM 664 NH2 ARG A 45 12.230 -1.451 -13.726 1.00 40.03 N ATOM 0 H ARG A 45 7.449 2.046 -17.512 1.00 12.40 H new ATOM 0 HA ARG A 45 8.834 3.541 -15.526 1.00 52.04 H new ATOM 0 HB2 ARG A 45 9.602 2.591 -18.332 1.00 45.51 H new ATOM 0 HB3 ARG A 45 10.742 3.313 -17.214 1.00 45.51 H new ATOM 0 HG2 ARG A 45 9.217 0.703 -16.766 1.00 41.40 H new ATOM 0 HG3 ARG A 45 10.908 0.839 -17.206 1.00 41.40 H new ATOM 0 HD2 ARG A 45 11.323 2.094 -15.043 1.00 32.33 H new ATOM 0 HD3 ARG A 45 9.649 1.823 -14.601 1.00 32.33 H new ATOM 0 HE ARG A 45 10.095 -0.599 -14.527 1.00 30.14 H new ATOM 0 HH11 ARG A 45 12.934 1.454 -14.719 1.00 13.33 H new ATOM 0 HH12 ARG A 45 13.984 0.215 -14.023 1.00 13.33 H new ATOM 0 HH21 ARG A 45 11.442 -2.092 -13.632 1.00 40.03 H new ATOM 0 HH22 ARG A 45 13.161 -1.739 -13.424 1.00 40.03 H new ATOM 678 N GLY A 46 7.877 5.225 -18.177 1.00 2.55 N ATOM 679 CA GLY A 46 7.668 6.589 -18.689 1.00 11.30 C ATOM 680 C GLY A 46 6.449 7.295 -18.073 1.00 3.45 C ATOM 681 O GLY A 46 5.879 8.200 -18.693 1.00 61.32 O ATOM 0 H GLY A 46 7.386 4.503 -18.704 1.00 2.55 H new ATOM 0 HA2 GLY A 46 8.560 7.183 -18.492 1.00 11.30 H new ATOM 0 HA3 GLY A 46 7.545 6.548 -19.771 1.00 11.30 H new ATOM 685 N THR A 47 6.044 6.877 -16.849 1.00 74.25 N ATOM 686 CA THR A 47 4.913 7.490 -16.104 1.00 4.23 C ATOM 687 C THR A 47 5.250 7.600 -14.595 1.00 5.42 C ATOM 688 O THR A 47 5.228 6.593 -13.868 1.00 10.32 O ATOM 689 CB THR A 47 3.590 6.665 -16.275 1.00 14.21 C ATOM 690 OG1 THR A 47 3.307 6.474 -17.669 1.00 63.13 O ATOM 691 CG2 THR A 47 2.373 7.346 -15.614 1.00 34.52 C ATOM 0 H THR A 47 6.490 6.107 -16.350 1.00 74.25 H new ATOM 0 HA THR A 47 4.758 8.485 -16.521 1.00 4.23 H new ATOM 0 HB THR A 47 3.753 5.709 -15.778 1.00 14.21 H new ATOM 0 HG1 THR A 47 2.480 5.957 -17.767 1.00 63.13 H new ATOM 0 HG21 THR A 47 1.486 6.731 -15.764 1.00 34.52 H new ATOM 0 HG22 THR A 47 2.557 7.463 -14.546 1.00 34.52 H new ATOM 0 HG23 THR A 47 2.215 8.326 -16.064 1.00 34.52 H new ATOM 699 N GLN A 48 5.580 8.825 -14.138 1.00 21.20 N ATOM 700 CA GLN A 48 5.824 9.106 -12.711 1.00 33.44 C ATOM 701 C GLN A 48 4.474 9.263 -11.969 1.00 44.14 C ATOM 702 O GLN A 48 3.844 10.330 -12.010 1.00 63.34 O ATOM 703 CB GLN A 48 6.712 10.375 -12.546 1.00 33.02 C ATOM 704 CG GLN A 48 7.062 10.733 -11.075 1.00 25.00 C ATOM 705 CD GLN A 48 8.005 11.940 -10.936 1.00 35.14 C ATOM 706 OE1 GLN A 48 8.843 12.192 -11.799 1.00 2.55 O ATOM 707 NE2 GLN A 48 7.885 12.689 -9.849 1.00 31.21 N ATOM 0 H GLN A 48 5.684 9.640 -14.743 1.00 21.20 H new ATOM 0 HA GLN A 48 6.363 8.268 -12.269 1.00 33.44 H new ATOM 0 HB2 GLN A 48 7.639 10.228 -13.101 1.00 33.02 H new ATOM 0 HB3 GLN A 48 6.199 11.223 -13.000 1.00 33.02 H new ATOM 0 HG2 GLN A 48 6.140 10.940 -10.532 1.00 25.00 H new ATOM 0 HG3 GLN A 48 7.523 9.867 -10.600 1.00 25.00 H new ATOM 0 HE21 GLN A 48 7.182 12.460 -9.147 1.00 31.21 H new ATOM 0 HE22 GLN A 48 8.496 13.495 -9.715 1.00 31.21 H new ATOM 716 N LEU A 49 4.011 8.161 -11.353 1.00 41.20 N ATOM 717 CA LEU A 49 2.788 8.153 -10.524 1.00 41.25 C ATOM 718 C LEU A 49 2.965 9.068 -9.279 1.00 35.12 C ATOM 719 O LEU A 49 3.957 8.943 -8.548 1.00 34.03 O ATOM 720 CB LEU A 49 2.440 6.707 -10.091 1.00 73.32 C ATOM 721 CG LEU A 49 2.231 5.669 -11.244 1.00 23.31 C ATOM 722 CD1 LEU A 49 1.929 4.265 -10.677 1.00 30.43 C ATOM 723 CD2 LEU A 49 1.121 6.122 -12.231 1.00 51.44 C ATOM 0 H LEU A 49 4.471 7.253 -11.414 1.00 41.20 H new ATOM 0 HA LEU A 49 1.964 8.544 -11.121 1.00 41.25 H new ATOM 0 HB2 LEU A 49 3.237 6.343 -9.443 1.00 73.32 H new ATOM 0 HB3 LEU A 49 1.531 6.739 -9.491 1.00 73.32 H new ATOM 0 HG LEU A 49 3.163 5.614 -11.806 1.00 23.31 H new ATOM 0 HD11 LEU A 49 1.788 3.563 -11.499 1.00 30.43 H new ATOM 0 HD12 LEU A 49 2.763 3.936 -10.058 1.00 30.43 H new ATOM 0 HD13 LEU A 49 1.022 4.304 -10.073 1.00 30.43 H new ATOM 0 HD21 LEU A 49 1.006 5.375 -13.017 1.00 51.44 H new ATOM 0 HD22 LEU A 49 0.179 6.232 -11.694 1.00 51.44 H new ATOM 0 HD23 LEU A 49 1.398 7.078 -12.676 1.00 51.44 H new ATOM 735 N SER A 50 1.998 9.972 -9.051 1.00 54.05 N ATOM 736 CA SER A 50 2.123 11.060 -8.053 1.00 4.12 C ATOM 737 C SER A 50 1.839 10.575 -6.604 1.00 43.22 C ATOM 738 O SER A 50 2.770 10.363 -5.818 1.00 45.14 O ATOM 739 CB SER A 50 1.184 12.235 -8.440 1.00 41.41 C ATOM 740 OG SER A 50 1.467 12.724 -9.747 1.00 21.41 O ATOM 0 H SER A 50 1.108 9.974 -9.549 1.00 54.05 H new ATOM 0 HA SER A 50 3.157 11.404 -8.064 1.00 4.12 H new ATOM 0 HB2 SER A 50 0.147 11.904 -8.392 1.00 41.41 H new ATOM 0 HB3 SER A 50 1.294 13.043 -7.717 1.00 41.41 H new ATOM 0 HG SER A 50 0.857 13.461 -9.960 1.00 21.41 H new ATOM 746 N GLN A 51 0.544 10.403 -6.255 1.00 45.41 N ATOM 747 CA GLN A 51 0.106 10.055 -4.872 1.00 51.43 C ATOM 748 C GLN A 51 -0.937 8.918 -4.889 1.00 64.11 C ATOM 749 O GLN A 51 -0.632 7.767 -4.549 1.00 14.02 O ATOM 750 CB GLN A 51 -0.501 11.305 -4.159 1.00 51.41 C ATOM 751 CG GLN A 51 0.452 12.490 -3.978 1.00 12.34 C ATOM 752 CD GLN A 51 -0.214 13.707 -3.324 1.00 30.22 C ATOM 753 OE1 GLN A 51 -0.239 13.834 -2.110 1.00 4.10 O ATOM 754 NE2 GLN A 51 -0.758 14.602 -4.123 1.00 35.34 N ATOM 0 H GLN A 51 -0.228 10.499 -6.915 1.00 45.41 H new ATOM 0 HA GLN A 51 0.985 9.717 -4.323 1.00 51.43 H new ATOM 0 HB2 GLN A 51 -1.367 11.642 -4.729 1.00 51.41 H new ATOM 0 HB3 GLN A 51 -0.864 11.001 -3.177 1.00 51.41 H new ATOM 0 HG2 GLN A 51 1.299 12.176 -3.368 1.00 12.34 H new ATOM 0 HG3 GLN A 51 0.849 12.780 -4.951 1.00 12.34 H new ATOM 0 HE21 GLN A 51 -0.723 14.471 -5.134 1.00 35.34 H new ATOM 0 HE22 GLN A 51 -1.214 15.426 -3.731 1.00 35.34 H new ATOM 763 N VAL A 52 -2.175 9.260 -5.310 1.00 60.24 N ATOM 764 CA VAL A 52 -3.331 8.338 -5.253 1.00 24.23 C ATOM 765 C VAL A 52 -3.195 7.219 -6.310 1.00 4.01 C ATOM 766 O VAL A 52 -3.629 6.093 -6.084 1.00 42.32 O ATOM 767 CB VAL A 52 -4.712 9.087 -5.446 1.00 14.23 C ATOM 768 CG1 VAL A 52 -5.889 8.202 -4.969 1.00 33.21 C ATOM 769 CG2 VAL A 52 -4.730 10.462 -4.736 1.00 33.34 C ATOM 0 H VAL A 52 -2.400 10.177 -5.696 1.00 60.24 H new ATOM 0 HA VAL A 52 -3.327 7.898 -4.256 1.00 24.23 H new ATOM 0 HB VAL A 52 -4.833 9.275 -6.513 1.00 14.23 H new ATOM 0 HG11 VAL A 52 -6.828 8.737 -5.111 1.00 33.21 H new ATOM 0 HG12 VAL A 52 -5.907 7.278 -5.547 1.00 33.21 H new ATOM 0 HG13 VAL A 52 -5.762 7.966 -3.912 1.00 33.21 H new ATOM 0 HG21 VAL A 52 -5.696 10.941 -4.895 1.00 33.34 H new ATOM 0 HG22 VAL A 52 -4.565 10.322 -3.668 1.00 33.34 H new ATOM 0 HG23 VAL A 52 -3.941 11.093 -5.145 1.00 33.34 H new ATOM 779 N GLU A 53 -2.573 7.563 -7.454 1.00 75.20 N ATOM 780 CA GLU A 53 -2.205 6.598 -8.520 1.00 14.41 C ATOM 781 C GLU A 53 -1.367 5.422 -7.964 1.00 22.44 C ATOM 782 O GLU A 53 -1.612 4.261 -8.308 1.00 45.22 O ATOM 783 CB GLU A 53 -1.393 7.321 -9.625 1.00 23.34 C ATOM 784 CG GLU A 53 -2.144 8.447 -10.362 1.00 55.12 C ATOM 785 CD GLU A 53 -1.242 9.220 -11.344 1.00 64.52 C ATOM 786 OE1 GLU A 53 -0.444 10.071 -10.888 1.00 2.03 O ATOM 787 OE2 GLU A 53 -1.320 8.982 -12.568 1.00 53.21 O ATOM 0 H GLU A 53 -2.308 8.524 -7.670 1.00 75.20 H new ATOM 0 HA GLU A 53 -3.130 6.195 -8.933 1.00 14.41 H new ATOM 0 HB2 GLU A 53 -0.493 7.740 -9.176 1.00 23.34 H new ATOM 0 HB3 GLU A 53 -1.069 6.582 -10.358 1.00 23.34 H new ATOM 0 HG2 GLU A 53 -2.986 8.020 -10.907 1.00 55.12 H new ATOM 0 HG3 GLU A 53 -2.557 9.142 -9.631 1.00 55.12 H new ATOM 794 N ILE A 54 -0.382 5.748 -7.094 1.00 63.22 N ATOM 795 CA ILE A 54 0.455 4.739 -6.412 1.00 74.41 C ATOM 796 C ILE A 54 -0.414 3.856 -5.494 1.00 21.42 C ATOM 797 O ILE A 54 -0.348 2.640 -5.584 1.00 25.34 O ATOM 798 CB ILE A 54 1.618 5.392 -5.568 1.00 75.41 C ATOM 799 CG1 ILE A 54 2.495 6.336 -6.455 1.00 70.53 C ATOM 800 CG2 ILE A 54 2.496 4.301 -4.880 1.00 2.44 C ATOM 801 CD1 ILE A 54 3.613 7.058 -5.715 1.00 44.15 C ATOM 0 H ILE A 54 -0.148 6.710 -6.848 1.00 63.22 H new ATOM 0 HA ILE A 54 0.913 4.129 -7.191 1.00 74.41 H new ATOM 0 HB ILE A 54 1.160 5.996 -4.785 1.00 75.41 H new ATOM 0 HG12 ILE A 54 2.934 5.748 -7.261 1.00 70.53 H new ATOM 0 HG13 ILE A 54 1.847 7.080 -6.919 1.00 70.53 H new ATOM 0 HG21 ILE A 54 3.289 4.781 -4.306 1.00 2.44 H new ATOM 0 HG22 ILE A 54 1.876 3.702 -4.213 1.00 2.44 H new ATOM 0 HG23 ILE A 54 2.938 3.657 -5.640 1.00 2.44 H new ATOM 0 HD11 ILE A 54 4.164 7.688 -6.413 1.00 44.15 H new ATOM 0 HD12 ILE A 54 3.186 7.678 -4.927 1.00 44.15 H new ATOM 0 HD13 ILE A 54 4.290 6.326 -5.275 1.00 44.15 H new ATOM 813 N LEU A 55 -1.246 4.501 -4.643 1.00 35.11 N ATOM 814 CA LEU A 55 -2.166 3.806 -3.699 1.00 12.24 C ATOM 815 C LEU A 55 -3.054 2.757 -4.406 1.00 71.23 C ATOM 816 O LEU A 55 -3.122 1.611 -3.977 1.00 50.21 O ATOM 817 CB LEU A 55 -3.070 4.844 -2.982 1.00 72.13 C ATOM 818 CG LEU A 55 -2.339 5.870 -2.063 1.00 24.21 C ATOM 819 CD1 LEU A 55 -3.324 6.929 -1.508 1.00 42.30 C ATOM 820 CD2 LEU A 55 -1.585 5.144 -0.920 1.00 70.15 C ATOM 0 H LEU A 55 -1.302 5.518 -4.588 1.00 35.11 H new ATOM 0 HA LEU A 55 -1.544 3.280 -2.974 1.00 12.24 H new ATOM 0 HB2 LEU A 55 -3.626 5.397 -3.740 1.00 72.13 H new ATOM 0 HB3 LEU A 55 -3.802 4.305 -2.380 1.00 72.13 H new ATOM 0 HG LEU A 55 -1.601 6.398 -2.667 1.00 24.21 H new ATOM 0 HD11 LEU A 55 -2.784 7.630 -0.871 1.00 42.30 H new ATOM 0 HD12 LEU A 55 -3.781 7.470 -2.336 1.00 42.30 H new ATOM 0 HD13 LEU A 55 -4.101 6.434 -0.925 1.00 42.30 H new ATOM 0 HD21 LEU A 55 -1.082 5.879 -0.291 1.00 70.15 H new ATOM 0 HD22 LEU A 55 -2.295 4.577 -0.318 1.00 70.15 H new ATOM 0 HD23 LEU A 55 -0.846 4.465 -1.345 1.00 70.15 H new ATOM 832 N GLN A 56 -3.687 3.183 -5.509 1.00 12.11 N ATOM 833 CA GLN A 56 -4.552 2.331 -6.347 1.00 43.34 C ATOM 834 C GLN A 56 -3.778 1.123 -6.923 1.00 54.25 C ATOM 835 O GLN A 56 -4.276 0.002 -6.892 1.00 51.44 O ATOM 836 CB GLN A 56 -5.163 3.178 -7.493 1.00 24.05 C ATOM 837 CG GLN A 56 -6.127 4.295 -7.020 1.00 50.43 C ATOM 838 CD GLN A 56 -6.630 5.197 -8.150 1.00 44.13 C ATOM 839 OE1 GLN A 56 -6.748 4.772 -9.295 1.00 12.21 O ATOM 840 NE2 GLN A 56 -6.972 6.435 -7.832 1.00 3.12 N ATOM 0 H GLN A 56 -3.613 4.141 -5.851 1.00 12.11 H new ATOM 0 HA GLN A 56 -5.351 1.936 -5.720 1.00 43.34 H new ATOM 0 HB2 GLN A 56 -4.353 3.632 -8.064 1.00 24.05 H new ATOM 0 HB3 GLN A 56 -5.700 2.515 -8.172 1.00 24.05 H new ATOM 0 HG2 GLN A 56 -6.983 3.837 -6.525 1.00 50.43 H new ATOM 0 HG3 GLN A 56 -5.619 4.909 -6.276 1.00 50.43 H new ATOM 0 HE21 GLN A 56 -6.864 6.763 -6.872 1.00 3.12 H new ATOM 0 HE22 GLN A 56 -7.344 7.061 -8.546 1.00 3.12 H new ATOM 849 N ARG A 57 -2.547 1.382 -7.424 1.00 35.31 N ATOM 850 CA ARG A 57 -1.635 0.334 -7.940 1.00 54.21 C ATOM 851 C ARG A 57 -1.231 -0.677 -6.842 1.00 51.43 C ATOM 852 O ARG A 57 -1.116 -1.871 -7.124 1.00 60.43 O ATOM 853 CB ARG A 57 -0.370 0.986 -8.573 1.00 42.11 C ATOM 854 CG ARG A 57 -0.581 1.648 -9.963 1.00 54.25 C ATOM 855 CD ARG A 57 -0.528 0.655 -11.148 1.00 11.44 C ATOM 856 NE ARG A 57 -1.652 -0.302 -11.177 1.00 73.31 N ATOM 857 CZ ARG A 57 -1.978 -1.060 -12.206 1.00 44.33 C ATOM 858 NH1 ARG A 57 -1.369 -0.967 -13.346 1.00 40.40 N ATOM 859 NH2 ARG A 57 -2.943 -1.901 -12.093 1.00 1.24 N ATOM 0 H ARG A 57 -2.158 2.323 -7.482 1.00 35.31 H new ATOM 0 HA ARG A 57 -2.174 -0.222 -8.707 1.00 54.21 H new ATOM 0 HB2 ARG A 57 0.011 1.741 -7.885 1.00 42.11 H new ATOM 0 HB3 ARG A 57 0.402 0.222 -8.667 1.00 42.11 H new ATOM 0 HG2 ARG A 57 -1.546 2.155 -9.970 1.00 54.25 H new ATOM 0 HG3 ARG A 57 0.182 2.413 -10.109 1.00 54.25 H new ATOM 0 HD2 ARG A 57 -0.519 1.218 -12.081 1.00 11.44 H new ATOM 0 HD3 ARG A 57 0.409 0.099 -11.102 1.00 11.44 H new ATOM 0 HE ARG A 57 -2.221 -0.383 -10.335 1.00 73.31 H new ATOM 0 HH11 ARG A 57 -0.613 -0.293 -13.467 1.00 40.40 H new ATOM 0 HH12 ARG A 57 -1.645 -1.568 -14.122 1.00 40.40 H new ATOM 0 HH21 ARG A 57 -3.451 -1.979 -11.212 1.00 1.24 H new ATOM 0 HH22 ARG A 57 -3.201 -2.491 -12.884 1.00 1.24 H new ATOM 873 N VAL A 58 -1.022 -0.192 -5.602 1.00 61.01 N ATOM 874 CA VAL A 58 -0.693 -1.063 -4.452 1.00 43.22 C ATOM 875 C VAL A 58 -1.879 -1.997 -4.131 1.00 73.12 C ATOM 876 O VAL A 58 -1.678 -3.181 -3.903 1.00 11.04 O ATOM 877 CB VAL A 58 -0.282 -0.240 -3.170 1.00 23.54 C ATOM 878 CG1 VAL A 58 0.036 -1.164 -1.968 1.00 44.51 C ATOM 879 CG2 VAL A 58 0.920 0.686 -3.468 1.00 11.05 C ATOM 0 H VAL A 58 -1.075 0.800 -5.369 1.00 61.01 H new ATOM 0 HA VAL A 58 0.172 -1.661 -4.740 1.00 43.22 H new ATOM 0 HB VAL A 58 -1.139 0.376 -2.898 1.00 23.54 H new ATOM 0 HG11 VAL A 58 0.314 -0.557 -1.106 1.00 44.51 H new ATOM 0 HG12 VAL A 58 -0.844 -1.759 -1.724 1.00 44.51 H new ATOM 0 HG13 VAL A 58 0.862 -1.827 -2.227 1.00 44.51 H new ATOM 0 HG21 VAL A 58 1.183 1.242 -2.568 1.00 11.05 H new ATOM 0 HG22 VAL A 58 1.772 0.085 -3.785 1.00 11.05 H new ATOM 0 HG23 VAL A 58 0.653 1.385 -4.261 1.00 11.05 H new ATOM 889 N ILE A 59 -3.111 -1.447 -4.161 1.00 10.24 N ATOM 890 CA ILE A 59 -4.353 -2.233 -3.965 1.00 0.13 C ATOM 891 C ILE A 59 -4.491 -3.316 -5.059 1.00 25.35 C ATOM 892 O ILE A 59 -4.794 -4.461 -4.745 1.00 42.32 O ATOM 893 CB ILE A 59 -5.627 -1.308 -3.970 1.00 24.41 C ATOM 894 CG1 ILE A 59 -5.491 -0.169 -2.909 1.00 33.21 C ATOM 895 CG2 ILE A 59 -6.929 -2.127 -3.728 1.00 73.25 C ATOM 896 CD1 ILE A 59 -6.512 0.939 -3.025 1.00 33.22 C ATOM 0 H ILE A 59 -3.275 -0.453 -4.320 1.00 10.24 H new ATOM 0 HA ILE A 59 -4.283 -2.715 -2.990 1.00 0.13 H new ATOM 0 HB ILE A 59 -5.698 -0.854 -4.958 1.00 24.41 H new ATOM 0 HG12 ILE A 59 -5.566 -0.609 -1.915 1.00 33.21 H new ATOM 0 HG13 ILE A 59 -4.495 0.266 -2.991 1.00 33.21 H new ATOM 0 HG21 ILE A 59 -7.788 -1.456 -3.738 1.00 73.25 H new ATOM 0 HG22 ILE A 59 -7.042 -2.872 -4.515 1.00 73.25 H new ATOM 0 HG23 ILE A 59 -6.870 -2.627 -2.761 1.00 73.25 H new ATOM 0 HD11 ILE A 59 -6.335 1.680 -2.246 1.00 33.22 H new ATOM 0 HD12 ILE A 59 -6.425 1.413 -4.003 1.00 33.22 H new ATOM 0 HD13 ILE A 59 -7.513 0.524 -2.910 1.00 33.22 H new ATOM 908 N ASP A 60 -4.233 -2.934 -6.338 1.00 61.01 N ATOM 909 CA ASP A 60 -4.238 -3.869 -7.496 1.00 23.44 C ATOM 910 C ASP A 60 -3.245 -5.028 -7.287 1.00 43.01 C ATOM 911 O ASP A 60 -3.572 -6.190 -7.521 1.00 62.53 O ATOM 912 CB ASP A 60 -3.886 -3.129 -8.815 1.00 40.32 C ATOM 913 CG ASP A 60 -4.865 -2.010 -9.187 1.00 72.23 C ATOM 914 OD1 ASP A 60 -6.081 -2.163 -8.950 1.00 1.42 O ATOM 915 OD2 ASP A 60 -4.422 -0.972 -9.729 1.00 45.01 O ATOM 0 H ASP A 60 -4.016 -1.971 -6.595 1.00 61.01 H new ATOM 0 HA ASP A 60 -5.247 -4.275 -7.570 1.00 23.44 H new ATOM 0 HB2 ASP A 60 -2.885 -2.706 -8.726 1.00 40.32 H new ATOM 0 HB3 ASP A 60 -3.854 -3.854 -9.628 1.00 40.32 H new ATOM 920 N TYR A 61 -2.037 -4.672 -6.834 1.00 1.04 N ATOM 921 CA TYR A 61 -0.980 -5.631 -6.464 1.00 3.20 C ATOM 922 C TYR A 61 -1.455 -6.604 -5.354 1.00 2.23 C ATOM 923 O TYR A 61 -1.190 -7.807 -5.422 1.00 31.24 O ATOM 924 CB TYR A 61 0.282 -4.841 -6.023 1.00 64.21 C ATOM 925 CG TYR A 61 1.345 -5.658 -5.258 1.00 55.05 C ATOM 926 CD1 TYR A 61 2.194 -6.543 -5.926 1.00 21.33 C ATOM 927 CD2 TYR A 61 1.477 -5.558 -3.867 1.00 4.41 C ATOM 928 CE1 TYR A 61 3.136 -7.282 -5.244 1.00 71.10 C ATOM 929 CE2 TYR A 61 2.419 -6.293 -3.195 1.00 41.14 C ATOM 930 CZ TYR A 61 3.236 -7.154 -3.881 1.00 72.43 C ATOM 931 OH TYR A 61 4.158 -7.897 -3.189 1.00 52.03 O ATOM 0 H TYR A 61 -1.759 -3.698 -6.711 1.00 1.04 H new ATOM 0 HA TYR A 61 -0.736 -6.246 -7.330 1.00 3.20 H new ATOM 0 HB2 TYR A 61 0.748 -4.411 -6.910 1.00 64.21 H new ATOM 0 HB3 TYR A 61 -0.033 -4.009 -5.394 1.00 64.21 H new ATOM 0 HD1 TYR A 61 2.111 -6.650 -6.997 1.00 21.33 H new ATOM 0 HD2 TYR A 61 0.828 -4.893 -3.317 1.00 4.41 H new ATOM 0 HE1 TYR A 61 3.790 -7.956 -5.777 1.00 71.10 H new ATOM 0 HE2 TYR A 61 2.518 -6.194 -2.124 1.00 41.14 H new ATOM 0 HH TYR A 61 3.695 -8.562 -2.638 1.00 52.03 H new ATOM 941 N ILE A 62 -2.156 -6.065 -4.335 1.00 44.24 N ATOM 942 CA ILE A 62 -2.714 -6.874 -3.230 1.00 1.13 C ATOM 943 C ILE A 62 -3.909 -7.748 -3.725 1.00 55.42 C ATOM 944 O ILE A 62 -4.181 -8.800 -3.156 1.00 13.11 O ATOM 945 CB ILE A 62 -3.115 -5.985 -1.980 1.00 54.24 C ATOM 946 CG1 ILE A 62 -1.900 -5.120 -1.488 1.00 60.30 C ATOM 947 CG2 ILE A 62 -3.627 -6.861 -0.807 1.00 61.24 C ATOM 948 CD1 ILE A 62 -2.224 -4.125 -0.375 1.00 54.40 C ATOM 0 H ILE A 62 -2.350 -5.067 -4.254 1.00 44.24 H new ATOM 0 HA ILE A 62 -1.926 -7.547 -2.891 1.00 1.13 H new ATOM 0 HB ILE A 62 -3.918 -5.323 -2.304 1.00 54.24 H new ATOM 0 HG12 ILE A 62 -1.114 -5.790 -1.138 1.00 60.30 H new ATOM 0 HG13 ILE A 62 -1.496 -4.571 -2.339 1.00 60.30 H new ATOM 0 HG21 ILE A 62 -3.894 -6.222 0.035 1.00 61.24 H new ATOM 0 HG22 ILE A 62 -4.504 -7.423 -1.128 1.00 61.24 H new ATOM 0 HG23 ILE A 62 -2.843 -7.555 -0.502 1.00 61.24 H new ATOM 0 HD11 ILE A 62 -1.322 -3.576 -0.104 1.00 54.40 H new ATOM 0 HD12 ILE A 62 -2.984 -3.425 -0.722 1.00 54.40 H new ATOM 0 HD13 ILE A 62 -2.597 -4.663 0.497 1.00 54.40 H new ATOM 960 N LEU A 63 -4.602 -7.315 -4.799 1.00 21.34 N ATOM 961 CA LEU A 63 -5.644 -8.137 -5.474 1.00 64.52 C ATOM 962 C LEU A 63 -5.019 -9.364 -6.197 1.00 64.41 C ATOM 963 O LEU A 63 -5.674 -10.393 -6.351 1.00 13.24 O ATOM 964 CB LEU A 63 -6.473 -7.279 -6.470 1.00 25.24 C ATOM 965 CG LEU A 63 -7.270 -6.080 -5.852 1.00 2.15 C ATOM 966 CD1 LEU A 63 -7.943 -5.216 -6.948 1.00 3.34 C ATOM 967 CD2 LEU A 63 -8.298 -6.568 -4.798 1.00 73.33 C ATOM 0 H LEU A 63 -4.462 -6.398 -5.223 1.00 21.34 H new ATOM 0 HA LEU A 63 -6.317 -8.510 -4.702 1.00 64.52 H new ATOM 0 HB2 LEU A 63 -5.797 -6.886 -7.229 1.00 25.24 H new ATOM 0 HB3 LEU A 63 -7.180 -7.933 -6.980 1.00 25.24 H new ATOM 0 HG LEU A 63 -6.552 -5.442 -5.337 1.00 2.15 H new ATOM 0 HD11 LEU A 63 -8.486 -4.394 -6.481 1.00 3.34 H new ATOM 0 HD12 LEU A 63 -7.180 -4.814 -7.614 1.00 3.34 H new ATOM 0 HD13 LEU A 63 -8.637 -5.831 -7.521 1.00 3.34 H new ATOM 0 HD21 LEU A 63 -8.834 -5.712 -4.389 1.00 73.33 H new ATOM 0 HD22 LEU A 63 -9.007 -7.248 -5.269 1.00 73.33 H new ATOM 0 HD23 LEU A 63 -7.776 -7.087 -3.994 1.00 73.33 H new ATOM 979 N ASP A 64 -3.759 -9.228 -6.661 1.00 22.42 N ATOM 980 CA ASP A 64 -2.959 -10.368 -7.171 1.00 0.52 C ATOM 981 C ASP A 64 -2.554 -11.332 -6.025 1.00 13.00 C ATOM 982 O ASP A 64 -2.448 -12.546 -6.229 1.00 44.24 O ATOM 983 CB ASP A 64 -1.693 -9.856 -7.902 1.00 73.51 C ATOM 984 CG ASP A 64 -1.995 -9.135 -9.221 1.00 15.24 C ATOM 985 OD1 ASP A 64 -2.085 -9.808 -10.270 1.00 54.33 O ATOM 986 OD2 ASP A 64 -2.136 -7.900 -9.227 1.00 1.13 O ATOM 0 H ASP A 64 -3.269 -8.334 -6.694 1.00 22.42 H new ATOM 0 HA ASP A 64 -3.581 -10.920 -7.876 1.00 0.52 H new ATOM 0 HB2 ASP A 64 -1.152 -9.177 -7.242 1.00 73.51 H new ATOM 0 HB3 ASP A 64 -1.033 -10.700 -8.102 1.00 73.51 H new ATOM 991 N LEU A 65 -2.308 -10.772 -4.823 1.00 33.02 N ATOM 992 CA LEU A 65 -1.975 -11.564 -3.609 1.00 11.34 C ATOM 993 C LEU A 65 -3.218 -12.331 -3.077 1.00 54.00 C ATOM 994 O LEU A 65 -3.117 -13.477 -2.636 1.00 72.13 O ATOM 995 CB LEU A 65 -1.407 -10.630 -2.501 1.00 52.23 C ATOM 996 CG LEU A 65 -0.211 -9.710 -2.922 1.00 75.12 C ATOM 997 CD1 LEU A 65 0.231 -8.786 -1.767 1.00 61.04 C ATOM 998 CD2 LEU A 65 0.975 -10.533 -3.471 1.00 63.32 C ATOM 0 H LEU A 65 -2.333 -9.765 -4.661 1.00 33.02 H new ATOM 0 HA LEU A 65 -1.218 -12.299 -3.882 1.00 11.34 H new ATOM 0 HB2 LEU A 65 -2.216 -9.996 -2.138 1.00 52.23 H new ATOM 0 HB3 LEU A 65 -1.086 -11.248 -1.663 1.00 52.23 H new ATOM 0 HG LEU A 65 -0.567 -9.072 -3.731 1.00 75.12 H new ATOM 0 HD11 LEU A 65 1.062 -8.163 -2.097 1.00 61.04 H new ATOM 0 HD12 LEU A 65 -0.603 -8.150 -1.470 1.00 61.04 H new ATOM 0 HD13 LEU A 65 0.546 -9.391 -0.917 1.00 61.04 H new ATOM 0 HD21 LEU A 65 1.785 -9.860 -3.752 1.00 63.32 H new ATOM 0 HD22 LEU A 65 1.326 -11.222 -2.703 1.00 63.32 H new ATOM 0 HD23 LEU A 65 0.652 -11.098 -4.345 1.00 63.32 H new ATOM 1010 N GLN A 66 -4.382 -11.663 -3.124 1.00 21.31 N ATOM 1011 CA GLN A 66 -5.683 -12.211 -2.652 1.00 73.51 C ATOM 1012 C GLN A 66 -6.466 -12.888 -3.807 1.00 43.41 C ATOM 1013 O GLN A 66 -6.095 -12.763 -4.971 1.00 21.25 O ATOM 1014 CB GLN A 66 -6.539 -11.070 -2.027 1.00 44.42 C ATOM 1015 CG GLN A 66 -5.886 -10.358 -0.815 1.00 1.43 C ATOM 1016 CD GLN A 66 -5.619 -11.281 0.384 1.00 33.04 C ATOM 1017 OE1 GLN A 66 -6.338 -12.243 0.636 1.00 13.32 O ATOM 1018 NE2 GLN A 66 -4.580 -10.999 1.131 1.00 31.13 N ATOM 0 H GLN A 66 -4.457 -10.715 -3.494 1.00 21.31 H new ATOM 0 HA GLN A 66 -5.477 -12.970 -1.897 1.00 73.51 H new ATOM 0 HB2 GLN A 66 -6.748 -10.328 -2.797 1.00 44.42 H new ATOM 0 HB3 GLN A 66 -7.498 -11.484 -1.714 1.00 44.42 H new ATOM 0 HG2 GLN A 66 -4.944 -9.912 -1.133 1.00 1.43 H new ATOM 0 HG3 GLN A 66 -6.533 -9.542 -0.495 1.00 1.43 H new ATOM 0 HE21 GLN A 66 -3.993 -10.195 0.906 1.00 31.13 H new ATOM 0 HE22 GLN A 66 -4.358 -11.583 1.937 1.00 31.13 H new ATOM 1431 N ASP B 27 -13.683 11.754 -1.368 1.00 12.21 N ATOM 1432 CA ASP B 27 -12.535 11.220 -0.594 1.00 34.22 C ATOM 1433 C ASP B 27 -11.832 10.059 -1.347 1.00 61.12 C ATOM 1434 O ASP B 27 -11.875 8.920 -0.902 1.00 45.03 O ATOM 1435 CB ASP B 27 -12.969 10.766 0.832 1.00 62.13 C ATOM 1436 CG ASP B 27 -13.525 11.898 1.702 1.00 41.40 C ATOM 1437 OD1 ASP B 27 -14.721 12.228 1.555 1.00 14.33 O ATOM 1438 OD2 ASP B 27 -12.773 12.455 2.541 1.00 73.13 O ATOM 0 HA ASP B 27 -11.818 12.033 -0.484 1.00 34.22 H new ATOM 0 HB2 ASP B 27 -13.726 9.987 0.740 1.00 62.13 H new ATOM 0 HB3 ASP B 27 -12.112 10.320 1.337 1.00 62.13 H new ATOM 1443 N ASP B 28 -11.184 10.361 -2.491 1.00 34.24 N ATOM 1444 CA ASP B 28 -10.525 9.327 -3.336 1.00 2.15 C ATOM 1445 C ASP B 28 -9.261 8.732 -2.654 1.00 43.53 C ATOM 1446 O ASP B 28 -9.142 7.510 -2.527 1.00 65.24 O ATOM 1447 CB ASP B 28 -10.191 9.914 -4.739 1.00 64.15 C ATOM 1448 CG ASP B 28 -9.585 8.902 -5.735 1.00 53.45 C ATOM 1449 OD1 ASP B 28 -10.002 7.724 -5.742 1.00 53.23 O ATOM 1450 OD2 ASP B 28 -8.704 9.289 -6.534 1.00 45.21 O ATOM 0 H ASP B 28 -11.100 11.310 -2.856 1.00 34.24 H new ATOM 0 HA ASP B 28 -11.226 8.502 -3.462 1.00 2.15 H new ATOM 0 HB2 ASP B 28 -11.102 10.327 -5.171 1.00 64.15 H new ATOM 0 HB3 ASP B 28 -9.494 10.742 -4.614 1.00 64.15 H new ATOM 1455 N MET B 29 -8.333 9.613 -2.222 1.00 61.15 N ATOM 1456 CA MET B 29 -7.123 9.218 -1.447 1.00 24.32 C ATOM 1457 C MET B 29 -7.496 8.498 -0.129 1.00 35.45 C ATOM 1458 O MET B 29 -6.924 7.458 0.196 1.00 50.53 O ATOM 1459 CB MET B 29 -6.231 10.470 -1.156 1.00 3.41 C ATOM 1460 CG MET B 29 -5.152 10.266 -0.077 1.00 2.21 C ATOM 1461 SD MET B 29 -3.964 11.617 0.014 1.00 11.13 S ATOM 1462 CE MET B 29 -3.037 11.328 -1.489 1.00 52.21 C ATOM 0 H MET B 29 -8.395 10.616 -2.397 1.00 61.15 H new ATOM 0 HA MET B 29 -6.556 8.513 -2.055 1.00 24.32 H new ATOM 0 HB2 MET B 29 -5.744 10.773 -2.083 1.00 3.41 H new ATOM 0 HB3 MET B 29 -6.876 11.294 -0.851 1.00 3.41 H new ATOM 0 HG2 MET B 29 -5.636 10.152 0.893 1.00 2.21 H new ATOM 0 HG3 MET B 29 -4.619 9.337 -0.278 1.00 2.21 H new ATOM 0 HE1 MET B 29 -2.011 11.670 -1.355 1.00 52.21 H new ATOM 0 HE2 MET B 29 -3.037 10.262 -1.717 1.00 52.21 H new ATOM 0 HE3 MET B 29 -3.498 11.875 -2.312 1.00 52.21 H new ATOM 1472 N ASN B 30 -8.469 9.072 0.598 1.00 65.23 N ATOM 1473 CA ASN B 30 -8.966 8.529 1.881 1.00 12.33 C ATOM 1474 C ASN B 30 -9.632 7.135 1.692 1.00 43.35 C ATOM 1475 O ASN B 30 -9.482 6.247 2.539 1.00 11.23 O ATOM 1476 CB ASN B 30 -9.955 9.551 2.504 1.00 31.12 C ATOM 1477 CG ASN B 30 -10.538 9.141 3.862 1.00 42.12 C ATOM 1478 OD1 ASN B 30 -9.909 8.436 4.648 1.00 23.11 O ATOM 1479 ND2 ASN B 30 -11.738 9.601 4.162 1.00 52.25 N ATOM 0 H ASN B 30 -8.938 9.932 0.313 1.00 65.23 H new ATOM 0 HA ASN B 30 -8.125 8.379 2.559 1.00 12.33 H new ATOM 0 HB2 ASN B 30 -9.443 10.506 2.618 1.00 31.12 H new ATOM 0 HB3 ASN B 30 -10.777 9.711 1.806 1.00 31.12 H new ATOM 0 HD21 ASN B 30 -12.161 9.373 5.062 1.00 52.25 H new ATOM 0 HD22 ASN B 30 -12.242 10.185 3.494 1.00 52.25 H new ATOM 1486 N HIS B 31 -10.338 6.957 0.557 1.00 44.11 N ATOM 1487 CA HIS B 31 -10.999 5.675 0.206 1.00 75.30 C ATOM 1488 C HIS B 31 -9.949 4.598 -0.149 1.00 3.22 C ATOM 1489 O HIS B 31 -10.078 3.458 0.271 1.00 70.10 O ATOM 1490 CB HIS B 31 -11.979 5.862 -0.983 1.00 73.32 C ATOM 1491 CG HIS B 31 -12.943 4.713 -1.186 1.00 20.45 C ATOM 1492 ND1 HIS B 31 -12.523 3.496 -1.664 1.00 41.21 N ATOM 1493 CD2 HIS B 31 -14.277 4.645 -0.940 1.00 71.34 C ATOM 1494 CE1 HIS B 31 -13.592 2.725 -1.692 1.00 12.00 C ATOM 1495 NE2 HIS B 31 -14.678 3.376 -1.264 1.00 34.13 N ATOM 0 H HIS B 31 -10.468 7.690 -0.140 1.00 44.11 H new ATOM 0 HA HIS B 31 -11.565 5.345 1.077 1.00 75.30 H new ATOM 0 HB2 HIS B 31 -12.551 6.777 -0.826 1.00 73.32 H new ATOM 0 HB3 HIS B 31 -11.401 6.001 -1.896 1.00 73.32 H new ATOM 0 HD2 HIS B 31 -14.902 5.440 -0.561 1.00 71.34 H new ATOM 0 HE1 HIS B 31 -13.590 1.696 -2.020 1.00 12.00 H new ATOM 0 HE2 HIS B 31 -15.624 3.000 -1.192 1.00 34.13 H new ATOM 1503 N CYS B 32 -8.927 4.991 -0.939 1.00 40.33 N ATOM 1504 CA CYS B 32 -7.806 4.102 -1.337 1.00 63.00 C ATOM 1505 C CYS B 32 -6.945 3.668 -0.122 1.00 52.22 C ATOM 1506 O CYS B 32 -6.496 2.523 -0.047 1.00 20.35 O ATOM 1507 CB CYS B 32 -6.927 4.786 -2.414 1.00 53.44 C ATOM 1508 SG CYS B 32 -7.760 5.042 -4.007 1.00 44.35 S ATOM 0 H CYS B 32 -8.853 5.934 -1.321 1.00 40.33 H new ATOM 0 HA CYS B 32 -8.243 3.198 -1.761 1.00 63.00 H new ATOM 0 HB2 CYS B 32 -6.592 5.751 -2.033 1.00 53.44 H new ATOM 0 HB3 CYS B 32 -6.035 4.180 -2.577 1.00 53.44 H new ATOM 0 HG CYS B 32 -8.534 6.084 -3.930 1.00 44.35 H new ATOM 1514 N TYR B 33 -6.742 4.602 0.821 1.00 10.23 N ATOM 1515 CA TYR B 33 -6.034 4.340 2.097 1.00 25.41 C ATOM 1516 C TYR B 33 -6.825 3.362 3.003 1.00 43.12 C ATOM 1517 O TYR B 33 -6.237 2.494 3.664 1.00 15.32 O ATOM 1518 CB TYR B 33 -5.751 5.681 2.848 1.00 23.32 C ATOM 1519 CG TYR B 33 -4.359 6.291 2.575 1.00 61.54 C ATOM 1520 CD1 TYR B 33 -3.212 5.537 2.808 1.00 53.42 C ATOM 1521 CD2 TYR B 33 -4.185 7.607 2.156 1.00 64.02 C ATOM 1522 CE1 TYR B 33 -1.952 6.060 2.636 1.00 13.41 C ATOM 1523 CE2 TYR B 33 -2.920 8.138 1.965 1.00 34.25 C ATOM 1524 CZ TYR B 33 -1.806 7.363 2.210 1.00 25.41 C ATOM 1525 OH TYR B 33 -0.549 7.899 2.044 1.00 53.14 O ATOM 0 H TYR B 33 -7.063 5.565 0.725 1.00 10.23 H new ATOM 0 HA TYR B 33 -5.083 3.864 1.856 1.00 25.41 H new ATOM 0 HB2 TYR B 33 -6.513 6.408 2.566 1.00 23.32 H new ATOM 0 HB3 TYR B 33 -5.854 5.511 3.920 1.00 23.32 H new ATOM 0 HD1 TYR B 33 -3.315 4.512 3.133 1.00 53.42 H new ATOM 0 HD2 TYR B 33 -5.052 8.225 1.977 1.00 64.02 H new ATOM 0 HE1 TYR B 33 -1.081 5.453 2.834 1.00 13.41 H new ATOM 0 HE2 TYR B 33 -2.806 9.157 1.625 1.00 34.25 H new ATOM 0 HH TYR B 33 -0.325 7.919 1.090 1.00 53.14 H new ATOM 1535 N SER B 34 -8.156 3.538 3.042 1.00 65.51 N ATOM 1536 CA SER B 34 -9.078 2.622 3.762 1.00 5.44 C ATOM 1537 C SER B 34 -9.124 1.234 3.086 1.00 23.14 C ATOM 1538 O SER B 34 -9.153 0.206 3.763 1.00 21.24 O ATOM 1539 CB SER B 34 -10.498 3.235 3.823 1.00 1.01 C ATOM 1540 OG SER B 34 -11.394 2.413 4.559 1.00 14.50 O ATOM 0 H SER B 34 -8.629 4.314 2.579 1.00 65.51 H new ATOM 0 HA SER B 34 -8.703 2.491 4.777 1.00 5.44 H new ATOM 0 HB2 SER B 34 -10.449 4.222 4.283 1.00 1.01 H new ATOM 0 HB3 SER B 34 -10.879 3.373 2.811 1.00 1.01 H new ATOM 0 HG SER B 34 -12.280 2.831 4.579 1.00 14.50 H new ATOM 1546 N ARG B 35 -9.077 1.243 1.738 1.00 50.10 N ATOM 1547 CA ARG B 35 -9.148 0.045 0.883 1.00 31.13 C ATOM 1548 C ARG B 35 -7.874 -0.833 1.036 1.00 44.05 C ATOM 1549 O ARG B 35 -7.928 -2.056 0.873 1.00 14.23 O ATOM 1550 CB ARG B 35 -9.379 0.494 -0.584 1.00 61.00 C ATOM 1551 CG ARG B 35 -10.073 -0.560 -1.464 1.00 11.54 C ATOM 1552 CD ARG B 35 -10.793 0.058 -2.671 1.00 62.22 C ATOM 1553 NE ARG B 35 -9.867 0.623 -3.677 1.00 44.23 N ATOM 1554 CZ ARG B 35 -9.854 1.878 -4.104 1.00 62.50 C ATOM 1555 NH1 ARG B 35 -10.585 2.789 -3.556 1.00 62.10 N ATOM 1556 NH2 ARG B 35 -9.063 2.217 -5.064 1.00 32.31 N ATOM 0 H ARG B 35 -8.986 2.106 1.203 1.00 50.10 H new ATOM 0 HA ARG B 35 -9.985 -0.581 1.194 1.00 31.13 H new ATOM 0 HB2 ARG B 35 -9.980 1.403 -0.584 1.00 61.00 H new ATOM 0 HB3 ARG B 35 -8.417 0.748 -1.030 1.00 61.00 H new ATOM 0 HG2 ARG B 35 -9.332 -1.278 -1.816 1.00 11.54 H new ATOM 0 HG3 ARG B 35 -10.793 -1.114 -0.861 1.00 11.54 H new ATOM 0 HD2 ARG B 35 -11.413 -0.703 -3.145 1.00 62.22 H new ATOM 0 HD3 ARG B 35 -11.464 0.844 -2.322 1.00 62.22 H new ATOM 0 HE ARG B 35 -9.176 -0.011 -4.079 1.00 44.23 H new ATOM 0 HH11 ARG B 35 -11.194 2.552 -2.773 1.00 62.10 H new ATOM 0 HH12 ARG B 35 -10.554 3.747 -3.906 1.00 62.10 H new ATOM 0 HH21 ARG B 35 -8.452 1.521 -5.491 1.00 32.31 H new ATOM 0 HH22 ARG B 35 -9.049 3.181 -5.397 1.00 32.31 H new ATOM 1570 N LEU B 36 -6.729 -0.179 1.349 1.00 42.44 N ATOM 1571 CA LEU B 36 -5.511 -0.870 1.834 1.00 2.30 C ATOM 1572 C LEU B 36 -5.819 -1.620 3.156 1.00 25.22 C ATOM 1573 O LEU B 36 -5.652 -2.838 3.251 1.00 31.23 O ATOM 1574 CB LEU B 36 -4.362 0.161 2.076 1.00 5.20 C ATOM 1575 CG LEU B 36 -3.780 0.883 0.815 1.00 14.10 C ATOM 1576 CD1 LEU B 36 -2.751 1.974 1.204 1.00 72.11 C ATOM 1577 CD2 LEU B 36 -3.159 -0.132 -0.176 1.00 65.02 C ATOM 0 H LEU B 36 -6.625 0.833 1.273 1.00 42.44 H new ATOM 0 HA LEU B 36 -5.193 -1.586 1.076 1.00 2.30 H new ATOM 0 HB2 LEU B 36 -4.729 0.923 2.764 1.00 5.20 H new ATOM 0 HB3 LEU B 36 -3.544 -0.355 2.579 1.00 5.20 H new ATOM 0 HG LEU B 36 -4.612 1.378 0.315 1.00 14.10 H new ATOM 0 HD11 LEU B 36 -2.370 2.453 0.302 1.00 72.11 H new ATOM 0 HD12 LEU B 36 -3.233 2.721 1.835 1.00 72.11 H new ATOM 0 HD13 LEU B 36 -1.925 1.517 1.749 1.00 72.11 H new ATOM 0 HD21 LEU B 36 -2.763 0.400 -1.041 1.00 65.02 H new ATOM 0 HD22 LEU B 36 -2.352 -0.674 0.317 1.00 65.02 H new ATOM 0 HD23 LEU B 36 -3.924 -0.837 -0.502 1.00 65.02 H new ATOM 1589 N ARG B 37 -6.342 -0.854 4.138 1.00 50.13 N ATOM 1590 CA ARG B 37 -6.646 -1.339 5.509 1.00 61.12 C ATOM 1591 C ARG B 37 -7.729 -2.445 5.561 1.00 44.14 C ATOM 1592 O ARG B 37 -7.857 -3.124 6.584 1.00 71.42 O ATOM 1593 CB ARG B 37 -7.080 -0.146 6.402 1.00 72.42 C ATOM 1594 CG ARG B 37 -5.960 0.866 6.727 1.00 65.43 C ATOM 1595 CD ARG B 37 -4.793 0.215 7.491 1.00 24.25 C ATOM 1596 NE ARG B 37 -3.844 1.214 7.988 1.00 53.15 N ATOM 1597 CZ ARG B 37 -3.028 1.060 9.012 1.00 62.23 C ATOM 1598 NH1 ARG B 37 -2.982 -0.046 9.678 1.00 73.12 N ATOM 1599 NH2 ARG B 37 -2.263 2.034 9.380 1.00 61.15 N ATOM 0 H ARG B 37 -6.569 0.131 4.003 1.00 50.13 H new ATOM 0 HA ARG B 37 -5.727 -1.791 5.882 1.00 61.12 H new ATOM 0 HB2 ARG B 37 -7.894 0.383 5.906 1.00 72.42 H new ATOM 0 HB3 ARG B 37 -7.478 -0.538 7.338 1.00 72.42 H new ATOM 0 HG2 ARG B 37 -5.587 1.303 5.801 1.00 65.43 H new ATOM 0 HG3 ARG B 37 -6.371 1.682 7.321 1.00 65.43 H new ATOM 0 HD2 ARG B 37 -5.184 -0.363 8.328 1.00 24.25 H new ATOM 0 HD3 ARG B 37 -4.274 -0.484 6.835 1.00 24.25 H new ATOM 0 HE ARG B 37 -3.812 2.108 7.498 1.00 53.15 H new ATOM 0 HH11 ARG B 37 -3.586 -0.825 9.415 1.00 73.12 H new ATOM 0 HH12 ARG B 37 -2.342 -0.140 10.467 1.00 73.12 H new ATOM 0 HH21 ARG B 37 -2.291 2.922 8.878 1.00 61.15 H new ATOM 0 HH22 ARG B 37 -1.632 1.915 10.172 1.00 61.15 H new ATOM 1613 N GLU B 38 -8.505 -2.602 4.476 1.00 14.22 N ATOM 1614 CA GLU B 38 -9.532 -3.668 4.371 1.00 2.31 C ATOM 1615 C GLU B 38 -8.855 -5.055 4.250 1.00 23.34 C ATOM 1616 O GLU B 38 -9.252 -6.021 4.909 1.00 1.41 O ATOM 1617 CB GLU B 38 -10.465 -3.435 3.142 1.00 51.23 C ATOM 1618 CG GLU B 38 -11.270 -2.119 3.156 1.00 31.31 C ATOM 1619 CD GLU B 38 -12.148 -1.945 4.405 1.00 31.15 C ATOM 1620 OE1 GLU B 38 -13.173 -2.650 4.531 1.00 70.45 O ATOM 1621 OE2 GLU B 38 -11.829 -1.099 5.271 1.00 34.01 O ATOM 0 H GLU B 38 -8.445 -2.004 3.652 1.00 14.22 H new ATOM 0 HA GLU B 38 -10.138 -3.636 5.277 1.00 2.31 H new ATOM 0 HB2 GLU B 38 -9.857 -3.459 2.238 1.00 51.23 H new ATOM 0 HB3 GLU B 38 -11.165 -4.268 3.077 1.00 51.23 H new ATOM 0 HG2 GLU B 38 -10.578 -1.279 3.089 1.00 31.31 H new ATOM 0 HG3 GLU B 38 -11.903 -2.081 2.270 1.00 31.31 H new ATOM 1628 N LEU B 39 -7.816 -5.109 3.402 1.00 1.21 N ATOM 1629 CA LEU B 39 -7.051 -6.345 3.105 1.00 3.31 C ATOM 1630 C LEU B 39 -5.878 -6.555 4.095 1.00 51.23 C ATOM 1631 O LEU B 39 -5.367 -7.674 4.224 1.00 70.32 O ATOM 1632 CB LEU B 39 -6.554 -6.290 1.636 1.00 13.22 C ATOM 1633 CG LEU B 39 -7.693 -6.195 0.554 1.00 64.14 C ATOM 1634 CD1 LEU B 39 -7.128 -5.951 -0.863 1.00 11.25 C ATOM 1635 CD2 LEU B 39 -8.599 -7.457 0.582 1.00 71.44 C ATOM 0 H LEU B 39 -7.475 -4.292 2.895 1.00 1.21 H new ATOM 0 HA LEU B 39 -7.710 -7.204 3.231 1.00 3.31 H new ATOM 0 HB2 LEU B 39 -5.893 -5.430 1.523 1.00 13.22 H new ATOM 0 HB3 LEU B 39 -5.957 -7.180 1.436 1.00 13.22 H new ATOM 0 HG LEU B 39 -8.306 -5.331 0.810 1.00 64.14 H new ATOM 0 HD11 LEU B 39 -7.949 -5.892 -1.577 1.00 11.25 H new ATOM 0 HD12 LEU B 39 -6.569 -5.015 -0.876 1.00 11.25 H new ATOM 0 HD13 LEU B 39 -6.467 -6.773 -1.137 1.00 11.25 H new ATOM 0 HD21 LEU B 39 -9.377 -7.363 -0.176 1.00 71.44 H new ATOM 0 HD22 LEU B 39 -7.997 -8.342 0.377 1.00 71.44 H new ATOM 0 HD23 LEU B 39 -9.060 -7.552 1.565 1.00 71.44 H new ATOM 1647 N VAL B 40 -5.453 -5.472 4.780 1.00 51.12 N ATOM 1648 CA VAL B 40 -4.416 -5.534 5.845 1.00 63.13 C ATOM 1649 C VAL B 40 -5.078 -5.801 7.229 1.00 21.23 C ATOM 1650 O VAL B 40 -5.783 -4.924 7.744 1.00 1.22 O ATOM 1651 CB VAL B 40 -3.561 -4.201 5.913 1.00 21.43 C ATOM 1652 CG1 VAL B 40 -2.448 -4.271 6.998 1.00 74.41 C ATOM 1653 CG2 VAL B 40 -2.962 -3.863 4.528 1.00 4.22 C ATOM 0 H VAL B 40 -5.814 -4.532 4.615 1.00 51.12 H new ATOM 0 HA VAL B 40 -3.743 -6.355 5.596 1.00 63.13 H new ATOM 0 HB VAL B 40 -4.239 -3.398 6.203 1.00 21.43 H new ATOM 0 HG11 VAL B 40 -1.889 -3.335 7.007 1.00 74.41 H new ATOM 0 HG12 VAL B 40 -2.903 -4.431 7.976 1.00 74.41 H new ATOM 0 HG13 VAL B 40 -1.772 -5.095 6.773 1.00 74.41 H new ATOM 0 HG21 VAL B 40 -2.379 -2.945 4.598 1.00 4.22 H new ATOM 0 HG22 VAL B 40 -2.316 -4.678 4.202 1.00 4.22 H new ATOM 0 HG23 VAL B 40 -3.768 -3.727 3.806 1.00 4.22 H new ATOM 1663 N PRO B 41 -4.856 -7.007 7.865 1.00 12.41 N ATOM 1664 CA PRO B 41 -5.459 -7.342 9.198 1.00 43.01 C ATOM 1665 C PRO B 41 -4.867 -6.516 10.374 1.00 42.53 C ATOM 1666 O PRO B 41 -5.402 -6.549 11.489 1.00 62.34 O ATOM 1667 CB PRO B 41 -5.141 -8.857 9.353 1.00 20.52 C ATOM 1668 CG PRO B 41 -3.884 -9.052 8.557 1.00 41.11 C ATOM 1669 CD PRO B 41 -4.023 -8.138 7.354 1.00 72.42 C ATOM 0 HA PRO B 41 -6.523 -7.106 9.232 1.00 43.01 H new ATOM 0 HB2 PRO B 41 -4.997 -9.129 10.399 1.00 20.52 H new ATOM 0 HB3 PRO B 41 -5.954 -9.476 8.972 1.00 20.52 H new ATOM 0 HG2 PRO B 41 -3.003 -8.796 9.145 1.00 41.11 H new ATOM 0 HG3 PRO B 41 -3.771 -10.092 8.250 1.00 41.11 H new ATOM 0 HD2 PRO B 41 -3.052 -7.792 6.999 1.00 72.42 H new ATOM 0 HD3 PRO B 41 -4.505 -8.646 6.519 1.00 72.42 H new ATOM 1677 N GLY B 42 -3.756 -5.791 10.110 1.00 70.12 N ATOM 1678 CA GLY B 42 -3.102 -4.936 11.109 1.00 44.00 C ATOM 1679 C GLY B 42 -3.806 -3.591 11.315 1.00 21.41 C ATOM 1680 O GLY B 42 -3.311 -2.550 10.876 1.00 25.10 O ATOM 0 H GLY B 42 -3.295 -5.787 9.200 1.00 70.12 H new ATOM 0 HA2 GLY B 42 -3.063 -5.466 12.060 1.00 44.00 H new ATOM 0 HA3 GLY B 42 -2.072 -4.755 10.803 1.00 44.00 H new ATOM 1684 N VAL B 43 -4.995 -3.623 11.946 1.00 41.15 N ATOM 1685 CA VAL B 43 -5.752 -2.401 12.333 1.00 53.11 C ATOM 1686 C VAL B 43 -6.385 -2.604 13.737 1.00 72.04 C ATOM 1687 O VAL B 43 -7.287 -3.435 13.876 1.00 33.11 O ATOM 1688 CB VAL B 43 -6.918 -2.027 11.316 1.00 4.13 C ATOM 1689 CG1 VAL B 43 -7.540 -0.644 11.657 1.00 32.43 C ATOM 1690 CG2 VAL B 43 -6.444 -2.079 9.844 1.00 63.40 C ATOM 0 H VAL B 43 -5.463 -4.491 12.205 1.00 41.15 H new ATOM 0 HA VAL B 43 -5.031 -1.583 12.327 1.00 53.11 H new ATOM 0 HB VAL B 43 -7.695 -2.783 11.429 1.00 4.13 H new ATOM 0 HG11 VAL B 43 -8.333 -0.416 10.945 1.00 32.43 H new ATOM 0 HG12 VAL B 43 -7.954 -0.670 12.665 1.00 32.43 H new ATOM 0 HG13 VAL B 43 -6.770 0.125 11.600 1.00 32.43 H new ATOM 0 HG21 VAL B 43 -7.272 -1.817 9.186 1.00 63.40 H new ATOM 0 HG22 VAL B 43 -5.627 -1.372 9.699 1.00 63.40 H new ATOM 0 HG23 VAL B 43 -6.098 -3.085 9.609 1.00 63.40 H new ATOM 1700 N PRO B 44 -5.923 -1.878 14.803 1.00 2.34 N ATOM 1701 CA PRO B 44 -6.567 -1.931 16.143 1.00 10.34 C ATOM 1702 C PRO B 44 -7.913 -1.147 16.176 1.00 50.51 C ATOM 1703 O PRO B 44 -8.005 -0.042 15.620 1.00 45.25 O ATOM 1704 CB PRO B 44 -5.499 -1.292 17.096 1.00 22.45 C ATOM 1705 CG PRO B 44 -4.263 -1.099 16.246 1.00 61.53 C ATOM 1706 CD PRO B 44 -4.752 -0.969 14.820 1.00 11.34 C ATOM 0 HA PRO B 44 -6.836 -2.946 16.434 1.00 10.34 H new ATOM 0 HB2 PRO B 44 -5.851 -0.342 17.499 1.00 22.45 H new ATOM 0 HB3 PRO B 44 -5.293 -1.942 17.946 1.00 22.45 H new ATOM 0 HG2 PRO B 44 -3.714 -0.209 16.553 1.00 61.53 H new ATOM 0 HG3 PRO B 44 -3.583 -1.944 16.349 1.00 61.53 H new ATOM 0 HD2 PRO B 44 -5.030 0.057 14.577 1.00 11.34 H new ATOM 0 HD3 PRO B 44 -3.992 -1.272 14.100 1.00 11.34 H new ATOM 1714 N ARG B 45 -8.947 -1.725 16.836 1.00 10.33 N ATOM 1715 CA ARG B 45 -10.287 -1.089 16.946 1.00 5.13 C ATOM 1716 C ARG B 45 -10.233 0.182 17.836 1.00 65.31 C ATOM 1717 O ARG B 45 -9.524 0.215 18.851 1.00 72.24 O ATOM 1718 CB ARG B 45 -11.367 -2.127 17.428 1.00 5.12 C ATOM 1719 CG ARG B 45 -11.077 -2.897 18.755 1.00 13.51 C ATOM 1720 CD ARG B 45 -11.425 -2.112 20.038 1.00 61.24 C ATOM 1721 NE ARG B 45 -11.119 -2.889 21.253 1.00 62.33 N ATOM 1722 CZ ARG B 45 -11.152 -2.428 22.488 1.00 13.40 C ATOM 1723 NH1 ARG B 45 -11.436 -1.187 22.737 1.00 62.45 N ATOM 1724 NH2 ARG B 45 -10.886 -3.224 23.472 1.00 51.23 N ATOM 0 H ARG B 45 -8.880 -2.631 17.301 1.00 10.33 H new ATOM 0 HA ARG B 45 -10.594 -0.758 15.954 1.00 5.13 H new ATOM 0 HB2 ARG B 45 -12.314 -1.600 17.544 1.00 5.12 H new ATOM 0 HB3 ARG B 45 -11.506 -2.862 16.635 1.00 5.12 H new ATOM 0 HG2 ARG B 45 -11.641 -3.830 18.750 1.00 13.51 H new ATOM 0 HG3 ARG B 45 -10.021 -3.164 18.782 1.00 13.51 H new ATOM 0 HD2 ARG B 45 -10.867 -1.176 20.055 1.00 61.24 H new ATOM 0 HD3 ARG B 45 -12.483 -1.852 20.029 1.00 61.24 H new ATOM 0 HE ARG B 45 -10.859 -3.867 21.127 1.00 62.33 H new ATOM 0 HH11 ARG B 45 -11.639 -0.547 21.970 1.00 62.45 H new ATOM 0 HH12 ARG B 45 -11.456 -0.852 23.700 1.00 62.45 H new ATOM 0 HH21 ARG B 45 -10.653 -4.200 23.290 1.00 51.23 H new ATOM 0 HH22 ARG B 45 -10.909 -2.876 24.430 1.00 51.23 H new ATOM 1738 N GLY B 46 -10.933 1.247 17.408 1.00 22.21 N ATOM 1739 CA GLY B 46 -10.903 2.548 18.101 1.00 35.43 C ATOM 1740 C GLY B 46 -9.705 3.432 17.704 1.00 33.14 C ATOM 1741 O GLY B 46 -9.788 4.665 17.761 1.00 61.21 O ATOM 0 H GLY B 46 -11.530 1.232 16.581 1.00 22.21 H new ATOM 0 HA2 GLY B 46 -11.827 3.085 17.887 1.00 35.43 H new ATOM 0 HA3 GLY B 46 -10.876 2.376 19.177 1.00 35.43 H new ATOM 1745 N THR B 47 -8.583 2.786 17.310 1.00 2.31 N ATOM 1746 CA THR B 47 -7.339 3.462 16.899 1.00 72.34 C ATOM 1747 C THR B 47 -7.461 3.967 15.442 1.00 52.12 C ATOM 1748 O THR B 47 -7.481 3.167 14.496 1.00 75.44 O ATOM 1749 CB THR B 47 -6.117 2.490 17.045 1.00 34.24 C ATOM 1750 OG1 THR B 47 -6.145 1.878 18.351 1.00 44.43 O ATOM 1751 CG2 THR B 47 -4.771 3.212 16.876 1.00 73.30 C ATOM 0 H THR B 47 -8.520 1.769 17.270 1.00 2.31 H new ATOM 0 HA THR B 47 -7.175 4.321 17.550 1.00 72.34 H new ATOM 0 HB THR B 47 -6.204 1.743 16.256 1.00 34.24 H new ATOM 0 HG1 THR B 47 -5.254 1.534 18.570 1.00 44.43 H new ATOM 0 HG21 THR B 47 -3.957 2.495 16.986 1.00 73.30 H new ATOM 0 HG22 THR B 47 -4.723 3.666 15.886 1.00 73.30 H new ATOM 0 HG23 THR B 47 -4.676 3.988 17.636 1.00 73.30 H new ATOM 1759 N GLN B 48 -7.552 5.303 15.288 1.00 41.12 N ATOM 1760 CA GLN B 48 -7.862 5.959 13.993 1.00 13.11 C ATOM 1761 C GLN B 48 -6.665 5.934 13.014 1.00 1.33 C ATOM 1762 O GLN B 48 -6.869 5.844 11.795 1.00 61.42 O ATOM 1763 CB GLN B 48 -8.336 7.419 14.249 1.00 63.33 C ATOM 1764 CG GLN B 48 -9.537 7.535 15.225 1.00 22.21 C ATOM 1765 CD GLN B 48 -10.815 6.832 14.727 1.00 61.02 C ATOM 1766 OE1 GLN B 48 -11.083 6.768 13.535 1.00 24.31 O ATOM 1767 NE2 GLN B 48 -11.607 6.295 15.634 1.00 4.14 N ATOM 0 H GLN B 48 -7.413 5.961 16.055 1.00 41.12 H new ATOM 0 HA GLN B 48 -8.662 5.393 13.516 1.00 13.11 H new ATOM 0 HB2 GLN B 48 -7.501 7.996 14.647 1.00 63.33 H new ATOM 0 HB3 GLN B 48 -8.611 7.872 13.297 1.00 63.33 H new ATOM 0 HG2 GLN B 48 -9.252 7.111 16.188 1.00 22.21 H new ATOM 0 HG3 GLN B 48 -9.756 8.590 15.393 1.00 22.21 H new ATOM 0 HE21 GLN B 48 -11.366 6.359 16.623 1.00 4.14 H new ATOM 0 HE22 GLN B 48 -12.460 5.816 15.347 1.00 4.14 H new ATOM 1776 N LEU B 49 -5.426 6.025 13.567 1.00 33.12 N ATOM 1777 CA LEU B 49 -4.150 5.973 12.790 1.00 14.34 C ATOM 1778 C LEU B 49 -3.992 7.172 11.813 1.00 0.25 C ATOM 1779 O LEU B 49 -4.814 8.096 11.806 1.00 60.40 O ATOM 1780 CB LEU B 49 -4.009 4.592 12.073 1.00 71.14 C ATOM 1781 CG LEU B 49 -3.943 3.359 13.036 1.00 1.02 C ATOM 1782 CD1 LEU B 49 -4.040 2.022 12.274 1.00 43.34 C ATOM 1783 CD2 LEU B 49 -2.668 3.417 13.911 1.00 5.13 C ATOM 0 H LEU B 49 -5.280 6.137 14.570 1.00 33.12 H new ATOM 0 HA LEU B 49 -3.326 6.070 13.497 1.00 14.34 H new ATOM 0 HB2 LEU B 49 -4.853 4.462 11.395 1.00 71.14 H new ATOM 0 HB3 LEU B 49 -3.107 4.606 11.460 1.00 71.14 H new ATOM 0 HG LEU B 49 -4.811 3.410 13.693 1.00 1.02 H new ATOM 0 HD11 LEU B 49 -3.990 1.195 12.982 1.00 43.34 H new ATOM 0 HD12 LEU B 49 -4.985 1.979 11.733 1.00 43.34 H new ATOM 0 HD13 LEU B 49 -3.214 1.945 11.567 1.00 43.34 H new ATOM 0 HD21 LEU B 49 -2.641 2.551 14.573 1.00 5.13 H new ATOM 0 HD22 LEU B 49 -1.786 3.411 13.270 1.00 5.13 H new ATOM 0 HD23 LEU B 49 -2.677 4.329 14.507 1.00 5.13 H new ATOM 1795 N SER B 50 -2.903 7.177 11.015 1.00 43.31 N ATOM 1796 CA SER B 50 -2.589 8.302 10.090 1.00 65.44 C ATOM 1797 C SER B 50 -1.979 7.815 8.754 1.00 24.22 C ATOM 1798 O SER B 50 -1.610 6.644 8.620 1.00 70.54 O ATOM 1799 CB SER B 50 -1.647 9.325 10.777 1.00 64.31 C ATOM 1800 OG SER B 50 -2.274 9.962 11.881 1.00 32.33 O ATOM 0 H SER B 50 -2.223 6.417 10.988 1.00 43.31 H new ATOM 0 HA SER B 50 -3.533 8.792 9.851 1.00 65.44 H new ATOM 0 HB2 SER B 50 -0.744 8.817 11.116 1.00 64.31 H new ATOM 0 HB3 SER B 50 -1.337 10.077 10.052 1.00 64.31 H new ATOM 0 HG SER B 50 -1.650 10.598 12.289 1.00 32.33 H new ATOM 1806 N GLN B 51 -1.852 8.769 7.797 1.00 23.54 N ATOM 1807 CA GLN B 51 -1.482 8.516 6.368 1.00 63.53 C ATOM 1808 C GLN B 51 -0.200 7.661 6.191 1.00 43.55 C ATOM 1809 O GLN B 51 -0.220 6.631 5.502 1.00 42.13 O ATOM 1810 CB GLN B 51 -1.308 9.880 5.630 1.00 33.32 C ATOM 1811 CG GLN B 51 -2.546 10.802 5.678 1.00 13.20 C ATOM 1812 CD GLN B 51 -3.748 10.253 4.905 1.00 3.14 C ATOM 1813 OE1 GLN B 51 -4.562 9.502 5.431 1.00 44.31 O ATOM 1814 NE2 GLN B 51 -3.875 10.638 3.649 1.00 75.32 N ATOM 0 H GLN B 51 -2.006 9.758 7.994 1.00 23.54 H new ATOM 0 HA GLN B 51 -2.297 7.936 5.935 1.00 63.53 H new ATOM 0 HB2 GLN B 51 -0.461 10.409 6.067 1.00 33.32 H new ATOM 0 HB3 GLN B 51 -1.058 9.684 4.587 1.00 33.32 H new ATOM 0 HG2 GLN B 51 -2.833 10.957 6.718 1.00 13.20 H new ATOM 0 HG3 GLN B 51 -2.278 11.778 5.272 1.00 13.20 H new ATOM 0 HE21 GLN B 51 -3.184 11.263 3.235 1.00 75.32 H new ATOM 0 HE22 GLN B 51 -4.664 10.310 3.092 1.00 75.32 H new ATOM 1823 N VAL B 52 0.906 8.098 6.825 1.00 55.43 N ATOM 1824 CA VAL B 52 2.223 7.429 6.696 1.00 51.33 C ATOM 1825 C VAL B 52 2.234 6.063 7.435 1.00 73.14 C ATOM 1826 O VAL B 52 2.840 5.108 6.952 1.00 73.04 O ATOM 1827 CB VAL B 52 3.408 8.335 7.222 1.00 12.43 C ATOM 1828 CG1 VAL B 52 4.781 7.726 6.868 1.00 64.11 C ATOM 1829 CG2 VAL B 52 3.301 9.778 6.680 1.00 20.42 C ATOM 0 H VAL B 52 0.916 8.915 7.435 1.00 55.43 H new ATOM 0 HA VAL B 52 2.380 7.257 5.631 1.00 51.33 H new ATOM 0 HB VAL B 52 3.323 8.375 8.308 1.00 12.43 H new ATOM 0 HG11 VAL B 52 5.574 8.373 7.244 1.00 64.11 H new ATOM 0 HG12 VAL B 52 4.870 6.740 7.324 1.00 64.11 H new ATOM 0 HG13 VAL B 52 4.870 7.634 5.786 1.00 64.11 H new ATOM 0 HG21 VAL B 52 4.131 10.372 7.062 1.00 20.42 H new ATOM 0 HG22 VAL B 52 3.337 9.761 5.591 1.00 20.42 H new ATOM 0 HG23 VAL B 52 2.359 10.220 7.005 1.00 20.42 H new ATOM 1839 N GLU B 53 1.528 5.983 8.594 1.00 61.32 N ATOM 1840 CA GLU B 53 1.377 4.729 9.388 1.00 33.03 C ATOM 1841 C GLU B 53 0.734 3.613 8.520 1.00 53.41 C ATOM 1842 O GLU B 53 1.082 2.434 8.647 1.00 1.14 O ATOM 1843 CB GLU B 53 0.502 5.002 10.663 1.00 14.31 C ATOM 1844 CG GLU B 53 0.817 4.141 11.917 1.00 72.21 C ATOM 1845 CD GLU B 53 0.685 2.607 11.736 1.00 71.24 C ATOM 1846 OE1 GLU B 53 -0.452 2.093 11.642 1.00 62.34 O ATOM 1847 OE2 GLU B 53 1.715 1.901 11.719 1.00 60.51 O ATOM 0 H GLU B 53 1.048 6.783 9.005 1.00 61.32 H new ATOM 0 HA GLU B 53 2.364 4.393 9.705 1.00 33.03 H new ATOM 0 HB2 GLU B 53 0.612 6.052 10.934 1.00 14.31 H new ATOM 0 HB3 GLU B 53 -0.544 4.849 10.398 1.00 14.31 H new ATOM 0 HG2 GLU B 53 1.834 4.363 12.240 1.00 72.21 H new ATOM 0 HG3 GLU B 53 0.152 4.451 12.723 1.00 72.21 H new ATOM 1854 N ILE B 54 -0.207 4.010 7.636 1.00 71.03 N ATOM 1855 CA ILE B 54 -0.835 3.086 6.679 1.00 31.03 C ATOM 1856 C ILE B 54 0.211 2.532 5.697 1.00 42.10 C ATOM 1857 O ILE B 54 0.334 1.323 5.564 1.00 72.41 O ATOM 1858 CB ILE B 54 -2.031 3.752 5.900 1.00 40.33 C ATOM 1859 CG1 ILE B 54 -3.088 4.332 6.904 1.00 71.43 C ATOM 1860 CG2 ILE B 54 -2.684 2.742 4.918 1.00 23.31 C ATOM 1861 CD1 ILE B 54 -4.386 4.833 6.290 1.00 74.42 C ATOM 0 H ILE B 54 -0.547 4.970 7.569 1.00 71.03 H new ATOM 0 HA ILE B 54 -1.251 2.260 7.256 1.00 31.03 H new ATOM 0 HB ILE B 54 -1.637 4.579 5.310 1.00 40.33 H new ATOM 0 HG12 ILE B 54 -3.329 3.559 7.634 1.00 71.43 H new ATOM 0 HG13 ILE B 54 -2.627 5.154 7.451 1.00 71.43 H new ATOM 0 HG21 ILE B 54 -3.507 3.226 4.392 1.00 23.31 H new ATOM 0 HG22 ILE B 54 -1.941 2.404 4.196 1.00 23.31 H new ATOM 0 HG23 ILE B 54 -3.063 1.886 5.476 1.00 23.31 H new ATOM 0 HD11 ILE B 54 -5.039 5.210 7.077 1.00 74.42 H new ATOM 0 HD12 ILE B 54 -4.169 5.634 5.583 1.00 74.42 H new ATOM 0 HD13 ILE B 54 -4.882 4.014 5.769 1.00 74.42 H new ATOM 1873 N LEU B 55 0.984 3.432 5.062 1.00 30.22 N ATOM 1874 CA LEU B 55 2.060 3.054 4.114 1.00 22.03 C ATOM 1875 C LEU B 55 3.071 2.061 4.738 1.00 42.14 C ATOM 1876 O LEU B 55 3.399 1.046 4.127 1.00 4.32 O ATOM 1877 CB LEU B 55 2.797 4.325 3.625 1.00 34.10 C ATOM 1878 CG LEU B 55 1.932 5.358 2.838 1.00 62.34 C ATOM 1879 CD1 LEU B 55 2.760 6.608 2.464 1.00 53.24 C ATOM 1880 CD2 LEU B 55 1.293 4.708 1.582 1.00 55.14 C ATOM 0 H LEU B 55 0.885 4.439 5.188 1.00 30.22 H new ATOM 0 HA LEU B 55 1.591 2.549 3.269 1.00 22.03 H new ATOM 0 HB2 LEU B 55 3.228 4.827 4.491 1.00 34.10 H new ATOM 0 HB3 LEU B 55 3.627 4.017 2.989 1.00 34.10 H new ATOM 0 HG LEU B 55 1.122 5.683 3.491 1.00 62.34 H new ATOM 0 HD11 LEU B 55 2.131 7.310 1.916 1.00 53.24 H new ATOM 0 HD12 LEU B 55 3.130 7.084 3.372 1.00 53.24 H new ATOM 0 HD13 LEU B 55 3.603 6.312 1.839 1.00 53.24 H new ATOM 0 HD21 LEU B 55 0.696 5.450 1.052 1.00 55.14 H new ATOM 0 HD22 LEU B 55 2.079 4.338 0.924 1.00 55.14 H new ATOM 0 HD23 LEU B 55 0.655 3.879 1.886 1.00 55.14 H new ATOM 1892 N GLN B 56 3.512 2.372 5.968 1.00 13.23 N ATOM 1893 CA GLN B 56 4.412 1.516 6.778 1.00 30.42 C ATOM 1894 C GLN B 56 3.862 0.082 6.944 1.00 72.32 C ATOM 1895 O GLN B 56 4.522 -0.896 6.585 1.00 62.12 O ATOM 1896 CB GLN B 56 4.597 2.152 8.185 1.00 62.24 C ATOM 1897 CG GLN B 56 5.373 3.479 8.201 1.00 32.30 C ATOM 1898 CD GLN B 56 5.363 4.195 9.559 1.00 13.41 C ATOM 1899 OE1 GLN B 56 5.242 3.578 10.612 1.00 54.45 O ATOM 1900 NE2 GLN B 56 5.542 5.501 9.544 1.00 50.42 N ATOM 0 H GLN B 56 3.252 3.238 6.440 1.00 13.23 H new ATOM 0 HA GLN B 56 5.365 1.451 6.252 1.00 30.42 H new ATOM 0 HB2 GLN B 56 3.613 2.318 8.624 1.00 62.24 H new ATOM 0 HB3 GLN B 56 5.115 1.438 8.825 1.00 62.24 H new ATOM 0 HG2 GLN B 56 6.406 3.287 7.911 1.00 32.30 H new ATOM 0 HG3 GLN B 56 4.949 4.144 7.449 1.00 32.30 H new ATOM 0 HE21 GLN B 56 5.640 5.992 8.655 1.00 50.42 H new ATOM 0 HE22 GLN B 56 5.582 6.020 10.421 1.00 50.42 H new ATOM 1909 N ARG B 57 2.630 -0.002 7.470 1.00 73.31 N ATOM 1910 CA ARG B 57 1.993 -1.274 7.867 1.00 11.23 C ATOM 1911 C ARG B 57 1.563 -2.113 6.640 1.00 73.43 C ATOM 1912 O ARG B 57 1.452 -3.340 6.728 1.00 43.31 O ATOM 1913 CB ARG B 57 0.805 -0.957 8.814 1.00 35.25 C ATOM 1914 CG ARG B 57 0.274 -2.165 9.632 1.00 43.02 C ATOM 1915 CD ARG B 57 -0.365 -1.730 10.968 1.00 61.02 C ATOM 1916 NE ARG B 57 0.579 -0.947 11.783 1.00 12.12 N ATOM 1917 CZ ARG B 57 1.194 -1.359 12.868 1.00 32.20 C ATOM 1918 NH1 ARG B 57 0.942 -2.507 13.409 1.00 1.15 N ATOM 1919 NH2 ARG B 57 2.063 -0.592 13.421 1.00 72.10 N ATOM 0 H ARG B 57 2.041 0.815 7.634 1.00 73.31 H new ATOM 0 HA ARG B 57 2.716 -1.892 8.400 1.00 11.23 H new ATOM 0 HB2 ARG B 57 1.113 -0.175 9.508 1.00 35.25 H new ATOM 0 HB3 ARG B 57 -0.014 -0.552 8.220 1.00 35.25 H new ATOM 0 HG2 ARG B 57 -0.462 -2.707 9.039 1.00 43.02 H new ATOM 0 HG3 ARG B 57 1.094 -2.855 9.831 1.00 43.02 H new ATOM 0 HD2 ARG B 57 -1.257 -1.136 10.770 1.00 61.02 H new ATOM 0 HD3 ARG B 57 -0.685 -2.611 11.524 1.00 61.02 H new ATOM 0 HE ARG B 57 0.774 0.006 11.476 1.00 12.12 H new ATOM 0 HH11 ARG B 57 0.246 -3.125 12.993 1.00 1.15 H new ATOM 0 HH12 ARG B 57 1.440 -2.794 14.252 1.00 1.15 H new ATOM 0 HH21 ARG B 57 2.267 0.322 13.017 1.00 72.10 H new ATOM 0 HH22 ARG B 57 2.549 -0.897 14.264 1.00 72.10 H new ATOM 1933 N VAL B 58 1.338 -1.433 5.502 1.00 60.15 N ATOM 1934 CA VAL B 58 1.106 -2.096 4.203 1.00 14.42 C ATOM 1935 C VAL B 58 2.418 -2.720 3.669 1.00 62.34 C ATOM 1936 O VAL B 58 2.388 -3.833 3.161 1.00 34.53 O ATOM 1937 CB VAL B 58 0.473 -1.112 3.138 1.00 42.44 C ATOM 1938 CG1 VAL B 58 0.419 -1.734 1.716 1.00 52.45 C ATOM 1939 CG2 VAL B 58 -0.946 -0.672 3.575 1.00 4.43 C ATOM 0 H VAL B 58 1.312 -0.414 5.455 1.00 60.15 H new ATOM 0 HA VAL B 58 0.383 -2.895 4.369 1.00 14.42 H new ATOM 0 HB VAL B 58 1.124 -0.239 3.091 1.00 42.44 H new ATOM 0 HG11 VAL B 58 -0.024 -1.019 1.023 1.00 52.45 H new ATOM 0 HG12 VAL B 58 1.429 -1.980 1.388 1.00 52.45 H new ATOM 0 HG13 VAL B 58 -0.186 -2.640 1.738 1.00 52.45 H new ATOM 0 HG21 VAL B 58 -1.363 0.004 2.829 1.00 4.43 H new ATOM 0 HG22 VAL B 58 -1.586 -1.549 3.668 1.00 4.43 H new ATOM 0 HG23 VAL B 58 -0.889 -0.161 4.536 1.00 4.43 H new ATOM 1949 N ILE B 59 3.566 -2.008 3.806 1.00 24.32 N ATOM 1950 CA ILE B 59 4.894 -2.560 3.421 1.00 64.24 C ATOM 1951 C ILE B 59 5.210 -3.831 4.238 1.00 24.20 C ATOM 1952 O ILE B 59 5.541 -4.857 3.656 1.00 13.44 O ATOM 1953 CB ILE B 59 6.063 -1.507 3.585 1.00 73.22 C ATOM 1954 CG1 ILE B 59 5.851 -0.292 2.630 1.00 32.31 C ATOM 1955 CG2 ILE B 59 7.464 -2.148 3.342 1.00 23.13 C ATOM 1956 CD1 ILE B 59 6.915 0.782 2.728 1.00 41.30 C ATOM 0 H ILE B 59 3.601 -1.058 4.177 1.00 24.32 H new ATOM 0 HA ILE B 59 4.833 -2.813 2.363 1.00 64.24 H new ATOM 0 HB ILE B 59 6.035 -1.155 4.616 1.00 73.22 H new ATOM 0 HG12 ILE B 59 5.815 -0.656 1.603 1.00 32.31 H new ATOM 0 HG13 ILE B 59 4.881 0.156 2.844 1.00 32.31 H new ATOM 0 HG21 ILE B 59 8.237 -1.390 3.465 1.00 23.13 H new ATOM 0 HG22 ILE B 59 7.626 -2.951 4.061 1.00 23.13 H new ATOM 0 HG23 ILE B 59 7.509 -2.552 2.330 1.00 23.13 H new ATOM 0 HD11 ILE B 59 6.686 1.586 2.029 1.00 41.30 H new ATOM 0 HD12 ILE B 59 6.939 1.179 3.743 1.00 41.30 H new ATOM 0 HD13 ILE B 59 7.887 0.354 2.483 1.00 41.30 H new ATOM 1968 N ASP B 60 5.068 -3.747 5.582 1.00 20.30 N ATOM 1969 CA ASP B 60 5.269 -4.900 6.503 1.00 14.12 C ATOM 1970 C ASP B 60 4.400 -6.113 6.096 1.00 23.30 C ATOM 1971 O ASP B 60 4.890 -7.242 6.008 1.00 4.50 O ATOM 1972 CB ASP B 60 4.939 -4.488 7.961 1.00 30.43 C ATOM 1973 CG ASP B 60 5.781 -3.314 8.478 1.00 53.31 C ATOM 1974 OD1 ASP B 60 7.011 -3.311 8.245 1.00 64.34 O ATOM 1975 OD2 ASP B 60 5.223 -2.399 9.125 1.00 21.44 O ATOM 0 H ASP B 60 4.812 -2.883 6.061 1.00 20.30 H new ATOM 0 HA ASP B 60 6.316 -5.194 6.435 1.00 14.12 H new ATOM 0 HB2 ASP B 60 3.884 -4.222 8.024 1.00 30.43 H new ATOM 0 HB3 ASP B 60 5.090 -5.347 8.615 1.00 30.43 H new ATOM 1980 N TYR B 61 3.120 -5.820 5.801 1.00 53.12 N ATOM 1981 CA TYR B 61 2.123 -6.794 5.307 1.00 53.41 C ATOM 1982 C TYR B 61 2.628 -7.527 4.042 1.00 5.24 C ATOM 1983 O TYR B 61 2.605 -8.757 3.974 1.00 32.53 O ATOM 1984 CB TYR B 61 0.807 -6.011 5.026 1.00 23.13 C ATOM 1985 CG TYR B 61 -0.281 -6.745 4.223 1.00 25.24 C ATOM 1986 CD1 TYR B 61 -1.158 -7.641 4.838 1.00 42.21 C ATOM 1987 CD2 TYR B 61 -0.455 -6.512 2.845 1.00 23.15 C ATOM 1988 CE1 TYR B 61 -2.160 -8.269 4.124 1.00 43.12 C ATOM 1989 CE2 TYR B 61 -1.455 -7.147 2.133 1.00 21.03 C ATOM 1990 CZ TYR B 61 -2.305 -8.022 2.778 1.00 62.21 C ATOM 1991 OH TYR B 61 -3.315 -8.642 2.080 1.00 1.35 O ATOM 0 H TYR B 61 2.739 -4.879 5.901 1.00 53.12 H new ATOM 0 HA TYR B 61 1.948 -7.568 6.054 1.00 53.41 H new ATOM 0 HB2 TYR B 61 0.379 -5.712 5.983 1.00 23.13 H new ATOM 0 HB3 TYR B 61 1.064 -5.096 4.492 1.00 23.13 H new ATOM 0 HD1 TYR B 61 -1.051 -7.847 5.893 1.00 42.21 H new ATOM 0 HD2 TYR B 61 0.205 -5.825 2.336 1.00 23.15 H new ATOM 0 HE1 TYR B 61 -2.830 -8.954 4.622 1.00 43.12 H new ATOM 0 HE2 TYR B 61 -1.571 -6.959 1.076 1.00 21.03 H new ATOM 0 HH TYR B 61 -4.164 -8.519 2.554 1.00 1.35 H new ATOM 2001 N ILE B 62 3.115 -6.738 3.074 1.00 65.42 N ATOM 2002 CA ILE B 62 3.677 -7.233 1.802 1.00 61.50 C ATOM 2003 C ILE B 62 4.957 -8.089 2.031 1.00 52.25 C ATOM 2004 O ILE B 62 5.140 -9.105 1.365 1.00 34.55 O ATOM 2005 CB ILE B 62 3.980 -6.011 0.842 1.00 42.33 C ATOM 2006 CG1 ILE B 62 2.653 -5.282 0.428 1.00 75.11 C ATOM 2007 CG2 ILE B 62 4.785 -6.437 -0.409 1.00 64.21 C ATOM 2008 CD1 ILE B 62 2.849 -3.982 -0.346 1.00 54.25 C ATOM 0 H ILE B 62 3.131 -5.721 3.151 1.00 65.42 H new ATOM 0 HA ILE B 62 2.939 -7.883 1.332 1.00 61.50 H new ATOM 0 HB ILE B 62 4.601 -5.311 1.402 1.00 42.33 H new ATOM 0 HG12 ILE B 62 2.056 -5.963 -0.179 1.00 75.11 H new ATOM 0 HG13 ILE B 62 2.077 -5.069 1.328 1.00 75.11 H new ATOM 0 HG21 ILE B 62 4.969 -5.566 -1.037 1.00 64.21 H new ATOM 0 HG22 ILE B 62 5.737 -6.869 -0.100 1.00 64.21 H new ATOM 0 HG23 ILE B 62 4.217 -7.177 -0.972 1.00 64.21 H new ATOM 0 HD11 ILE B 62 1.877 -3.552 -0.587 1.00 54.25 H new ATOM 0 HD12 ILE B 62 3.416 -3.278 0.263 1.00 54.25 H new ATOM 0 HD13 ILE B 62 3.395 -4.186 -1.267 1.00 54.25 H new ATOM 2020 N LEU B 63 5.813 -7.681 2.995 1.00 63.14 N ATOM 2021 CA LEU B 63 7.101 -8.372 3.290 1.00 14.54 C ATOM 2022 C LEU B 63 6.891 -9.803 3.837 1.00 22.44 C ATOM 2023 O LEU B 63 7.676 -10.711 3.525 1.00 73.20 O ATOM 2024 CB LEU B 63 7.942 -7.544 4.297 1.00 13.13 C ATOM 2025 CG LEU B 63 8.397 -6.127 3.820 1.00 71.35 C ATOM 2026 CD1 LEU B 63 9.126 -5.365 4.951 1.00 3.15 C ATOM 2027 CD2 LEU B 63 9.255 -6.201 2.528 1.00 63.40 C ATOM 0 H LEU B 63 5.638 -6.871 3.589 1.00 63.14 H new ATOM 0 HA LEU B 63 7.638 -8.456 2.345 1.00 14.54 H new ATOM 0 HB2 LEU B 63 7.362 -7.427 5.212 1.00 13.13 H new ATOM 0 HB3 LEU B 63 8.831 -8.120 4.555 1.00 13.13 H new ATOM 0 HG LEU B 63 7.499 -5.562 3.570 1.00 71.35 H new ATOM 0 HD11 LEU B 63 9.431 -4.383 4.590 1.00 3.15 H new ATOM 0 HD12 LEU B 63 8.455 -5.247 5.802 1.00 3.15 H new ATOM 0 HD13 LEU B 63 10.007 -5.928 5.260 1.00 3.15 H new ATOM 0 HD21 LEU B 63 9.551 -5.195 2.230 1.00 63.40 H new ATOM 0 HD22 LEU B 63 10.146 -6.800 2.717 1.00 63.40 H new ATOM 0 HD23 LEU B 63 8.672 -6.659 1.730 1.00 63.40 H new ATOM 2039 N ASP B 64 5.838 -9.987 4.666 1.00 45.05 N ATOM 2040 CA ASP B 64 5.431 -11.316 5.161 1.00 10.02 C ATOM 2041 C ASP B 64 5.041 -12.246 3.987 1.00 40.54 C ATOM 2042 O ASP B 64 5.488 -13.391 3.915 1.00 51.24 O ATOM 2043 CB ASP B 64 4.242 -11.199 6.153 1.00 3.13 C ATOM 2044 CG ASP B 64 4.590 -10.441 7.444 1.00 31.44 C ATOM 2045 OD1 ASP B 64 5.454 -10.920 8.211 1.00 13.12 O ATOM 2046 OD2 ASP B 64 4.016 -9.364 7.701 1.00 32.34 O ATOM 0 H ASP B 64 5.253 -9.224 5.006 1.00 45.05 H new ATOM 0 HA ASP B 64 6.284 -11.747 5.685 1.00 10.02 H new ATOM 0 HB2 ASP B 64 3.414 -10.693 5.657 1.00 3.13 H new ATOM 0 HB3 ASP B 64 3.895 -12.200 6.411 1.00 3.13 H new ATOM 2051 N LEU B 65 4.233 -11.709 3.062 1.00 44.24 N ATOM 2052 CA LEU B 65 3.687 -12.463 1.904 1.00 41.14 C ATOM 2053 C LEU B 65 4.783 -12.814 0.867 1.00 34.02 C ATOM 2054 O LEU B 65 4.787 -13.902 0.284 1.00 3.42 O ATOM 2055 CB LEU B 65 2.570 -11.621 1.242 1.00 13.44 C ATOM 2056 CG LEU B 65 1.428 -11.141 2.198 1.00 54.43 C ATOM 2057 CD1 LEU B 65 0.405 -10.261 1.460 1.00 32.34 C ATOM 2058 CD2 LEU B 65 0.742 -12.323 2.911 1.00 2.15 C ATOM 0 H LEU B 65 3.933 -10.734 3.088 1.00 44.24 H new ATOM 0 HA LEU B 65 3.283 -13.408 2.268 1.00 41.14 H new ATOM 0 HB2 LEU B 65 3.025 -10.745 0.781 1.00 13.44 H new ATOM 0 HB3 LEU B 65 2.124 -12.208 0.439 1.00 13.44 H new ATOM 0 HG LEU B 65 1.894 -10.526 2.968 1.00 54.43 H new ATOM 0 HD11 LEU B 65 -0.373 -9.946 2.155 1.00 32.34 H new ATOM 0 HD12 LEU B 65 0.906 -9.382 1.055 1.00 32.34 H new ATOM 0 HD13 LEU B 65 -0.044 -10.830 0.646 1.00 32.34 H new ATOM 0 HD21 LEU B 65 -0.044 -11.946 3.565 1.00 2.15 H new ATOM 0 HD22 LEU B 65 0.307 -12.993 2.169 1.00 2.15 H new ATOM 0 HD23 LEU B 65 1.478 -12.867 3.504 1.00 2.15 H new ATOM 2070 N GLN B 66 5.695 -11.859 0.653 1.00 45.12 N ATOM 2071 CA GLN B 66 6.864 -12.008 -0.244 1.00 74.11 C ATOM 2072 C GLN B 66 7.908 -12.986 0.337 1.00 14.23 C ATOM 2073 O GLN B 66 8.602 -13.660 -0.427 1.00 14.34 O ATOM 2074 CB GLN B 66 7.502 -10.611 -0.509 1.00 51.11 C ATOM 2075 CG GLN B 66 6.730 -9.742 -1.541 1.00 74.22 C ATOM 2076 CD GLN B 66 6.910 -10.234 -2.989 1.00 72.24 C ATOM 2077 OE1 GLN B 66 7.945 -10.786 -3.350 1.00 50.44 O ATOM 2078 NE2 GLN B 66 5.923 -10.038 -3.832 1.00 34.32 N ATOM 0 H GLN B 66 5.648 -10.944 1.101 1.00 45.12 H new ATOM 0 HA GLN B 66 6.520 -12.431 -1.188 1.00 74.11 H new ATOM 0 HB2 GLN B 66 7.562 -10.067 0.434 1.00 51.11 H new ATOM 0 HB3 GLN B 66 8.524 -10.752 -0.862 1.00 51.11 H new ATOM 0 HG2 GLN B 66 5.669 -9.745 -1.290 1.00 74.22 H new ATOM 0 HG3 GLN B 66 7.072 -8.710 -1.468 1.00 74.22 H new ATOM 0 HE21 GLN B 66 5.068 -9.578 -3.519 1.00 34.32 H new ATOM 0 HE22 GLN B 66 6.011 -10.346 -4.800 1.00 34.32 H new ATOM 2087 N VAL B 67 7.979 -13.054 1.689 1.00 14.53 N ATOM 2088 CA VAL B 67 8.936 -13.897 2.444 1.00 70.22 C ATOM 2089 C VAL B 67 10.406 -13.483 2.137 1.00 3.22 C ATOM 2090 O VAL B 67 11.056 -14.018 1.225 1.00 35.44 O ATOM 2091 CB VAL B 67 8.705 -15.447 2.204 1.00 64.11 C ATOM 2092 CG1 VAL B 67 9.645 -16.314 3.077 1.00 10.25 C ATOM 2093 CG2 VAL B 67 7.219 -15.842 2.430 1.00 55.42 C ATOM 0 H VAL B 67 7.361 -12.514 2.295 1.00 14.53 H new ATOM 0 HA VAL B 67 8.748 -13.720 3.503 1.00 70.22 H new ATOM 0 HB VAL B 67 8.951 -15.645 1.161 1.00 64.11 H new ATOM 0 HG11 VAL B 67 9.453 -17.369 2.881 1.00 10.25 H new ATOM 0 HG12 VAL B 67 10.682 -16.083 2.835 1.00 10.25 H new ATOM 0 HG13 VAL B 67 9.462 -16.101 4.130 1.00 10.25 H new ATOM 0 HG21 VAL B 67 7.096 -16.911 2.257 1.00 55.42 H new ATOM 0 HG22 VAL B 67 6.931 -15.605 3.454 1.00 55.42 H new ATOM 0 HG23 VAL B 67 6.586 -15.287 1.737 1.00 55.42 H new ATOM 2103 N VAL B 68 10.894 -12.492 2.894 1.00 62.11 N ATOM 2104 CA VAL B 68 12.230 -11.885 2.694 1.00 12.41 C ATOM 2105 C VAL B 68 13.352 -12.765 3.333 1.00 31.22 C ATOM 2106 O VAL B 68 14.139 -13.390 2.582 1.00 38.26 O ATOM 2107 CB VAL B 68 12.256 -10.415 3.270 1.00 43.13 C ATOM 2108 CG1 VAL B 68 13.644 -9.757 3.099 1.00 2.54 C ATOM 2109 CG2 VAL B 68 11.142 -9.549 2.619 1.00 0.13 C ATOM 2110 OXT VAL B 68 13.413 -12.864 4.580 1.00 38.26 O ATOM 0 H VAL B 68 10.375 -12.081 3.670 1.00 62.11 H new ATOM 0 HA VAL B 68 12.427 -11.835 1.623 1.00 12.41 H new ATOM 0 HB VAL B 68 12.059 -10.477 4.340 1.00 43.13 H new ATOM 0 HG11 VAL B 68 13.621 -8.747 3.508 1.00 2.54 H new ATOM 0 HG12 VAL B 68 14.393 -10.345 3.629 1.00 2.54 H new ATOM 0 HG13 VAL B 68 13.898 -9.714 2.040 1.00 2.54 H new ATOM 0 HG21 VAL B 68 11.178 -8.540 3.030 1.00 0.13 H new ATOM 0 HG22 VAL B 68 11.297 -9.507 1.541 1.00 0.13 H new ATOM 0 HG23 VAL B 68 10.168 -9.991 2.828 1.00 0.13 H new