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 97:sc= -0.728 USER MOD Set 1.2: B 66 GLN : amide:sc= -0.718 K(o=-1.4,f=-0.44) USER MOD Set 2.1: A 29 MET CE :methyl -133:sc= -0.27 (180deg=-1.29) USER MOD Set 2.2: A 33 TYR OH : rot -140:sc= 0.833 USER MOD Set 2.3: B 29 MET CE :methyl 167:sc= -0.448 (180deg=-0.666) USER MOD Set 2.4: B 33 TYR OH : rot 104:sc= 0.96 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 32 CYS SG : rot 79:sc= 0.576 USER MOD Single : A 34 SER OG : rot 70:sc= 0.319 USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.432 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.00428 X(o=-0.0043,f=-0.0043) USER MOD Single : A 56 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.14) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : B 31 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 32 CYS SG : rot 75:sc= 0.281 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : B 48 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.059) USER MOD Single : B 50 SER OG : rot 180:sc= -0.0969 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 56 GLN : amide:sc= -1.96! K(o=-2!,f=-1.3) USER MOD Single : B 61 TYR OH : rot 30:sc= -0.0177 USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 11.179 12.579 3.940 1.00 11.54 N ATOM 372 CA ASP A 27 9.770 12.303 4.233 1.00 52.12 C ATOM 373 C ASP A 27 9.523 10.786 4.194 1.00 65.14 C ATOM 374 O ASP A 27 9.647 10.165 3.138 1.00 24.12 O ATOM 375 CB ASP A 27 8.857 13.035 3.222 1.00 3.33 C ATOM 376 CG ASP A 27 8.985 14.559 3.311 1.00 15.33 C ATOM 377 OD1 ASP A 27 10.055 15.091 2.967 1.00 33.21 O ATOM 378 OD2 ASP A 27 8.032 15.230 3.746 1.00 20.41 O ATOM 0 HA ASP A 27 9.531 12.672 5.231 1.00 52.12 H new ATOM 0 HB2 ASP A 27 9.107 12.711 2.212 1.00 3.33 H new ATOM 0 HB3 ASP A 27 7.820 12.750 3.401 1.00 3.33 H new ATOM 383 N ASP A 28 9.228 10.215 5.368 1.00 3.20 N ATOM 384 CA ASP A 28 8.913 8.776 5.543 1.00 72.12 C ATOM 385 C ASP A 28 7.789 8.310 4.583 1.00 63.50 C ATOM 386 O ASP A 28 7.870 7.225 4.022 1.00 42.14 O ATOM 387 CB ASP A 28 8.526 8.487 7.020 1.00 32.32 C ATOM 388 CG ASP A 28 8.541 6.984 7.360 1.00 13.24 C ATOM 389 OD1 ASP A 28 9.607 6.475 7.757 1.00 25.54 O ATOM 390 OD2 ASP A 28 7.507 6.304 7.191 1.00 25.43 O ATOM 0 H ASP A 28 9.199 10.740 6.242 1.00 3.20 H new ATOM 0 HA ASP A 28 9.809 8.208 5.292 1.00 72.12 H new ATOM 0 HB2 ASP A 28 9.217 9.011 7.681 1.00 32.32 H new ATOM 0 HB3 ASP A 28 7.532 8.889 7.215 1.00 32.32 H new ATOM 395 N MET A 29 6.765 9.164 4.402 1.00 35.23 N ATOM 396 CA MET A 29 5.673 8.943 3.420 1.00 74.31 C ATOM 397 C MET A 29 6.206 8.826 1.968 1.00 35.41 C ATOM 398 O MET A 29 5.824 7.909 1.245 1.00 4.13 O ATOM 399 CB MET A 29 4.618 10.087 3.533 1.00 55.21 C ATOM 400 CG MET A 29 3.681 10.253 2.317 1.00 44.45 C ATOM 401 SD MET A 29 2.210 11.226 2.682 1.00 53.43 S ATOM 402 CE MET A 29 1.298 10.072 3.708 1.00 32.54 C ATOM 0 H MET A 29 6.666 10.030 4.931 1.00 35.23 H new ATOM 0 HA MET A 29 5.198 7.992 3.659 1.00 74.31 H new ATOM 0 HB2 MET A 29 4.007 9.908 4.418 1.00 55.21 H new ATOM 0 HB3 MET A 29 5.144 11.028 3.694 1.00 55.21 H new ATOM 0 HG2 MET A 29 4.231 10.729 1.505 1.00 44.45 H new ATOM 0 HG3 MET A 29 3.378 9.268 1.963 1.00 44.45 H new ATOM 0 HE1 MET A 29 0.261 10.029 3.374 1.00 32.54 H new ATOM 0 HE2 MET A 29 1.746 9.082 3.629 1.00 32.54 H new ATOM 0 HE3 MET A 29 1.331 10.403 4.746 1.00 32.54 H new ATOM 412 N ASN A 30 7.096 9.763 1.572 1.00 34.13 N ATOM 413 CA ASN A 30 7.679 9.814 0.205 1.00 4.52 C ATOM 414 C ASN A 30 8.540 8.554 -0.079 1.00 22.55 C ATOM 415 O ASN A 30 8.464 7.967 -1.160 1.00 42.00 O ATOM 416 CB ASN A 30 8.526 11.107 0.053 1.00 63.12 C ATOM 417 CG ASN A 30 9.017 11.351 -1.375 1.00 20.42 C ATOM 418 OD1 ASN A 30 8.342 11.994 -2.172 1.00 0.14 O ATOM 419 ND2 ASN A 30 10.180 10.832 -1.717 1.00 62.02 N ATOM 0 H ASN A 30 7.432 10.505 2.186 1.00 34.13 H new ATOM 0 HA ASN A 30 6.870 9.829 -0.525 1.00 4.52 H new ATOM 0 HB2 ASN A 30 7.931 11.962 0.375 1.00 63.12 H new ATOM 0 HB3 ASN A 30 9.386 11.049 0.720 1.00 63.12 H new ATOM 0 HD21 ASN A 30 10.538 10.961 -2.663 1.00 62.02 H new ATOM 0 HD22 ASN A 30 10.722 10.301 -1.035 1.00 62.02 H new ATOM 426 N HIS A 31 9.348 8.161 0.925 1.00 71.21 N ATOM 427 CA HIS A 31 10.216 6.962 0.862 1.00 22.52 C ATOM 428 C HIS A 31 9.382 5.652 0.862 1.00 53.52 C ATOM 429 O HIS A 31 9.734 4.683 0.182 1.00 41.30 O ATOM 430 CB HIS A 31 11.211 6.972 2.051 1.00 72.43 C ATOM 431 CG HIS A 31 12.200 5.828 2.029 1.00 71.22 C ATOM 432 ND1 HIS A 31 11.943 4.648 2.684 1.00 52.42 N ATOM 433 CD2 HIS A 31 13.399 5.721 1.395 1.00 32.52 C ATOM 434 CE1 HIS A 31 12.968 3.857 2.435 1.00 23.12 C ATOM 435 NE2 HIS A 31 13.875 4.464 1.663 1.00 52.12 N ATOM 0 H HIS A 31 9.419 8.667 1.808 1.00 71.21 H new ATOM 0 HA HIS A 31 10.773 6.994 -0.075 1.00 22.52 H new ATOM 0 HB2 HIS A 31 11.759 7.914 2.046 1.00 72.43 H new ATOM 0 HB3 HIS A 31 10.648 6.936 2.984 1.00 72.43 H new ATOM 0 HD2 HIS A 31 13.882 6.479 0.797 1.00 32.52 H new ATOM 0 HE1 HIS A 31 13.063 2.848 2.807 1.00 23.12 H new ATOM 0 HE2 HIS A 31 14.755 4.067 1.335 1.00 52.12 H new ATOM 443 N CYS A 32 8.283 5.650 1.641 1.00 64.32 N ATOM 444 CA CYS A 32 7.324 4.522 1.695 1.00 25.42 C ATOM 445 C CYS A 32 6.612 4.327 0.346 1.00 11.13 C ATOM 446 O CYS A 32 6.424 3.198 -0.080 1.00 42.34 O ATOM 447 CB CYS A 32 6.292 4.701 2.838 1.00 3.24 C ATOM 448 SG CYS A 32 6.981 4.483 4.502 1.00 31.24 S ATOM 0 H CYS A 32 8.032 6.428 2.251 1.00 64.32 H new ATOM 0 HA CYS A 32 7.902 3.622 1.907 1.00 25.42 H new ATOM 0 HB2 CYS A 32 5.855 5.697 2.765 1.00 3.24 H new ATOM 0 HB3 CYS A 32 5.481 3.986 2.696 1.00 3.24 H new ATOM 0 HG CYS A 32 7.612 5.563 4.855 1.00 31.24 H new ATOM 454 N TYR A 33 6.245 5.443 -0.312 1.00 60.53 N ATOM 455 CA TYR A 33 5.650 5.440 -1.675 1.00 14.32 C ATOM 456 C TYR A 33 6.621 4.864 -2.734 1.00 0.51 C ATOM 457 O TYR A 33 6.202 4.115 -3.630 1.00 63.42 O ATOM 458 CB TYR A 33 5.198 6.877 -2.079 1.00 24.13 C ATOM 459 CG TYR A 33 3.755 7.223 -1.681 1.00 1.21 C ATOM 460 CD1 TYR A 33 2.705 6.432 -2.139 1.00 61.41 C ATOM 461 CD2 TYR A 33 3.429 8.338 -0.899 1.00 51.12 C ATOM 462 CE1 TYR A 33 1.402 6.722 -1.836 1.00 62.24 C ATOM 463 CE2 TYR A 33 2.115 8.629 -0.588 1.00 73.52 C ATOM 464 CZ TYR A 33 1.107 7.821 -1.061 1.00 42.31 C ATOM 465 OH TYR A 33 -0.196 8.107 -0.749 1.00 34.32 O ATOM 0 H TYR A 33 6.350 6.378 0.082 1.00 60.53 H new ATOM 0 HA TYR A 33 4.777 4.788 -1.643 1.00 14.32 H new ATOM 0 HB2 TYR A 33 5.872 7.600 -1.619 1.00 24.13 H new ATOM 0 HB3 TYR A 33 5.301 6.987 -3.159 1.00 24.13 H new ATOM 0 HD1 TYR A 33 2.924 5.568 -2.749 1.00 61.41 H new ATOM 0 HD2 TYR A 33 4.217 8.980 -0.534 1.00 51.12 H new ATOM 0 HE1 TYR A 33 0.607 6.090 -2.204 1.00 62.24 H new ATOM 0 HE2 TYR A 33 1.880 9.487 0.024 1.00 73.52 H new ATOM 0 HH TYR A 33 -0.339 9.075 -0.796 1.00 34.32 H new ATOM 475 N SER A 34 7.906 5.240 -2.625 1.00 3.24 N ATOM 476 CA SER A 34 8.991 4.686 -3.468 1.00 45.43 C ATOM 477 C SER A 34 9.090 3.152 -3.303 1.00 33.30 C ATOM 478 O SER A 34 9.119 2.413 -4.295 1.00 64.41 O ATOM 479 CB SER A 34 10.338 5.355 -3.108 1.00 41.21 C ATOM 480 OG SER A 34 10.289 6.760 -3.309 1.00 64.11 O ATOM 0 H SER A 34 8.227 5.936 -1.952 1.00 3.24 H new ATOM 0 HA SER A 34 8.758 4.899 -4.511 1.00 45.43 H new ATOM 0 HB2 SER A 34 10.585 5.143 -2.068 1.00 41.21 H new ATOM 0 HB3 SER A 34 11.133 4.926 -3.718 1.00 41.21 H new ATOM 0 HG SER A 34 9.708 7.167 -2.633 1.00 64.11 H new ATOM 486 N ARG A 35 9.096 2.694 -2.033 1.00 42.44 N ATOM 487 CA ARG A 35 9.174 1.272 -1.671 1.00 42.45 C ATOM 488 C ARG A 35 7.907 0.479 -2.103 1.00 43.43 C ATOM 489 O ARG A 35 8.016 -0.683 -2.506 1.00 44.34 O ATOM 490 CB ARG A 35 9.432 1.156 -0.147 1.00 41.15 C ATOM 491 CG ARG A 35 9.646 -0.303 0.338 1.00 64.32 C ATOM 492 CD ARG A 35 10.704 -0.447 1.443 1.00 31.24 C ATOM 493 NE ARG A 35 10.318 0.213 2.709 1.00 2.30 N ATOM 494 CZ ARG A 35 10.697 -0.165 3.912 1.00 61.55 C ATOM 495 NH1 ARG A 35 11.402 -1.232 4.087 1.00 51.42 N ATOM 496 NH2 ARG A 35 10.345 0.525 4.945 1.00 70.22 N ATOM 0 H ARG A 35 9.046 3.313 -1.224 1.00 42.44 H new ATOM 0 HA ARG A 35 10.003 0.819 -2.214 1.00 42.45 H new ATOM 0 HB2 ARG A 35 10.310 1.748 0.110 1.00 41.15 H new ATOM 0 HB3 ARG A 35 8.588 1.588 0.390 1.00 41.15 H new ATOM 0 HG2 ARG A 35 8.697 -0.696 0.704 1.00 64.32 H new ATOM 0 HG3 ARG A 35 9.938 -0.918 -0.513 1.00 64.32 H new ATOM 0 HD2 ARG A 35 10.881 -1.506 1.632 1.00 31.24 H new ATOM 0 HD3 ARG A 35 11.646 -0.024 1.093 1.00 31.24 H new ATOM 0 HE ARG A 35 9.708 1.028 2.645 1.00 2.30 H new ATOM 0 HH11 ARG A 35 11.676 -1.800 3.285 1.00 51.42 H new ATOM 0 HH12 ARG A 35 11.685 -1.507 5.027 1.00 51.42 H new ATOM 0 HH21 ARG A 35 9.774 1.362 4.829 1.00 70.22 H new ATOM 0 HH22 ARG A 35 10.638 0.233 5.877 1.00 70.22 H new ATOM 510 N LEU A 36 6.719 1.129 -2.045 1.00 50.41 N ATOM 511 CA LEU A 36 5.447 0.536 -2.518 1.00 53.22 C ATOM 512 C LEU A 36 5.543 0.187 -4.012 1.00 41.25 C ATOM 513 O LEU A 36 5.347 -0.961 -4.395 1.00 45.33 O ATOM 514 CB LEU A 36 4.238 1.494 -2.299 1.00 1.44 C ATOM 515 CG LEU A 36 3.767 1.737 -0.829 1.00 50.23 C ATOM 516 CD1 LEU A 36 2.532 2.663 -0.795 1.00 52.40 C ATOM 517 CD2 LEU A 36 3.496 0.403 -0.088 1.00 24.41 C ATOM 0 H LEU A 36 6.617 2.073 -1.671 1.00 50.41 H new ATOM 0 HA LEU A 36 5.280 -0.367 -1.931 1.00 53.22 H new ATOM 0 HB2 LEU A 36 4.491 2.460 -2.735 1.00 1.44 H new ATOM 0 HB3 LEU A 36 3.392 1.102 -2.863 1.00 1.44 H new ATOM 0 HG LEU A 36 4.577 2.238 -0.299 1.00 50.23 H new ATOM 0 HD11 LEU A 36 2.222 2.818 0.238 1.00 52.40 H new ATOM 0 HD12 LEU A 36 2.784 3.623 -1.246 1.00 52.40 H new ATOM 0 HD13 LEU A 36 1.717 2.203 -1.353 1.00 52.40 H new ATOM 0 HD21 LEU A 36 3.170 0.612 0.931 1.00 24.41 H new ATOM 0 HD22 LEU A 36 2.717 -0.152 -0.611 1.00 24.41 H new ATOM 0 HD23 LEU A 36 4.410 -0.191 -0.062 1.00 24.41 H new ATOM 529 N ARG A 37 5.898 1.205 -4.822 1.00 50.50 N ATOM 530 CA ARG A 37 6.003 1.102 -6.300 1.00 0.23 C ATOM 531 C ARG A 37 6.997 -0.031 -6.697 1.00 73.42 C ATOM 532 O ARG A 37 6.759 -0.774 -7.654 1.00 53.13 O ATOM 533 CB ARG A 37 6.421 2.506 -6.880 1.00 24.51 C ATOM 534 CG ARG A 37 5.859 2.889 -8.292 1.00 24.03 C ATOM 535 CD ARG A 37 6.751 2.483 -9.485 1.00 32.41 C ATOM 536 NE ARG A 37 6.764 1.030 -9.720 1.00 44.23 N ATOM 537 CZ ARG A 37 7.521 0.397 -10.588 1.00 63.21 C ATOM 538 NH1 ARG A 37 8.326 1.035 -11.370 1.00 22.43 N ATOM 539 NH2 ARG A 37 7.444 -0.895 -10.665 1.00 10.21 N ATOM 0 H ARG A 37 6.123 2.135 -4.468 1.00 50.50 H new ATOM 0 HA ARG A 37 5.039 0.832 -6.731 1.00 0.23 H new ATOM 0 HB2 ARG A 37 6.107 3.272 -6.171 1.00 24.51 H new ATOM 0 HB3 ARG A 37 7.509 2.542 -6.927 1.00 24.51 H new ATOM 0 HG2 ARG A 37 4.881 2.424 -8.415 1.00 24.03 H new ATOM 0 HG3 ARG A 37 5.705 3.968 -8.324 1.00 24.03 H new ATOM 0 HD2 ARG A 37 6.399 2.989 -10.384 1.00 32.41 H new ATOM 0 HD3 ARG A 37 7.770 2.826 -9.304 1.00 32.41 H new ATOM 0 HE ARG A 37 6.128 0.463 -9.159 1.00 44.23 H new ATOM 0 HH11 ARG A 37 8.384 2.052 -11.322 1.00 22.43 H new ATOM 0 HH12 ARG A 37 8.904 0.522 -12.036 1.00 22.43 H new ATOM 0 HH21 ARG A 37 6.803 -1.405 -10.057 1.00 10.21 H new ATOM 0 HH22 ARG A 37 8.025 -1.402 -11.333 1.00 10.21 H new ATOM 553 N GLU A 38 8.055 -0.199 -5.885 1.00 12.12 N ATOM 554 CA GLU A 38 9.079 -1.259 -6.076 1.00 13.25 C ATOM 555 C GLU A 38 8.500 -2.665 -5.798 1.00 23.54 C ATOM 556 O GLU A 38 8.812 -3.624 -6.509 1.00 13.42 O ATOM 557 CB GLU A 38 10.307 -0.989 -5.164 1.00 0.14 C ATOM 558 CG GLU A 38 11.141 0.236 -5.593 1.00 12.34 C ATOM 559 CD GLU A 38 12.282 0.568 -4.621 1.00 34.43 C ATOM 560 OE1 GLU A 38 13.306 -0.144 -4.625 1.00 75.44 O ATOM 561 OE2 GLU A 38 12.163 1.547 -3.849 1.00 43.05 O ATOM 0 H GLU A 38 8.231 0.394 -5.074 1.00 12.12 H new ATOM 0 HA GLU A 38 9.397 -1.233 -7.118 1.00 13.25 H new ATOM 0 HB2 GLU A 38 9.963 -0.843 -4.140 1.00 0.14 H new ATOM 0 HB3 GLU A 38 10.948 -1.871 -5.162 1.00 0.14 H new ATOM 0 HG2 GLU A 38 11.559 0.053 -6.583 1.00 12.34 H new ATOM 0 HG3 GLU A 38 10.484 1.101 -5.679 1.00 12.34 H new ATOM 568 N LEU A 39 7.648 -2.760 -4.761 1.00 21.15 N ATOM 569 CA LEU A 39 6.931 -4.008 -4.392 1.00 12.31 C ATOM 570 C LEU A 39 5.791 -4.345 -5.389 1.00 43.43 C ATOM 571 O LEU A 39 5.268 -5.465 -5.377 1.00 71.20 O ATOM 572 CB LEU A 39 6.375 -3.886 -2.944 1.00 33.52 C ATOM 573 CG LEU A 39 7.454 -3.855 -1.804 1.00 4.24 C ATOM 574 CD1 LEU A 39 6.841 -3.439 -0.442 1.00 45.22 C ATOM 575 CD2 LEU A 39 8.173 -5.225 -1.698 1.00 22.24 C ATOM 0 H LEU A 39 7.432 -1.973 -4.149 1.00 21.15 H new ATOM 0 HA LEU A 39 7.646 -4.830 -4.439 1.00 12.31 H new ATOM 0 HB2 LEU A 39 5.777 -2.977 -2.879 1.00 33.52 H new ATOM 0 HB3 LEU A 39 5.702 -4.724 -2.760 1.00 33.52 H new ATOM 0 HG LEU A 39 8.192 -3.098 -2.067 1.00 4.24 H new ATOM 0 HD11 LEU A 39 7.620 -3.430 0.320 1.00 45.22 H new ATOM 0 HD12 LEU A 39 6.406 -2.443 -0.528 1.00 45.22 H new ATOM 0 HD13 LEU A 39 6.066 -4.151 -0.159 1.00 45.22 H new ATOM 0 HD21 LEU A 39 8.917 -5.185 -0.903 1.00 22.24 H new ATOM 0 HD22 LEU A 39 7.443 -6.003 -1.473 1.00 22.24 H new ATOM 0 HD23 LEU A 39 8.665 -5.452 -2.644 1.00 22.24 H new ATOM 587 N VAL A 40 5.417 -3.369 -6.240 1.00 61.42 N ATOM 588 CA VAL A 40 4.360 -3.534 -7.270 1.00 44.14 C ATOM 589 C VAL A 40 4.967 -3.755 -8.694 1.00 42.23 C ATOM 590 O VAL A 40 5.540 -2.822 -9.278 1.00 63.24 O ATOM 591 CB VAL A 40 3.399 -2.282 -7.300 1.00 75.12 C ATOM 592 CG1 VAL A 40 2.261 -2.454 -8.335 1.00 70.24 C ATOM 593 CG2 VAL A 40 2.829 -1.993 -5.895 1.00 1.11 C ATOM 0 H VAL A 40 5.838 -2.440 -6.236 1.00 61.42 H new ATOM 0 HA VAL A 40 3.789 -4.421 -6.996 1.00 44.14 H new ATOM 0 HB VAL A 40 3.993 -1.423 -7.612 1.00 75.12 H new ATOM 0 HG11 VAL A 40 1.622 -1.571 -8.324 1.00 70.24 H new ATOM 0 HG12 VAL A 40 2.689 -2.579 -9.329 1.00 70.24 H new ATOM 0 HG13 VAL A 40 1.669 -3.333 -8.082 1.00 70.24 H new ATOM 0 HG21 VAL A 40 2.170 -1.126 -5.941 1.00 1.11 H new ATOM 0 HG22 VAL A 40 2.266 -2.859 -5.546 1.00 1.11 H new ATOM 0 HG23 VAL A 40 3.648 -1.790 -5.205 1.00 1.11 H new ATOM 603 N PRO A 41 4.858 -4.996 -9.276 1.00 34.21 N ATOM 604 CA PRO A 41 5.214 -5.264 -10.700 1.00 23.04 C ATOM 605 C PRO A 41 4.124 -4.775 -11.702 1.00 64.51 C ATOM 606 O PRO A 41 4.390 -4.655 -12.903 1.00 45.53 O ATOM 607 CB PRO A 41 5.377 -6.823 -10.759 1.00 43.20 C ATOM 608 CG PRO A 41 5.238 -7.299 -9.331 1.00 64.21 C ATOM 609 CD PRO A 41 4.431 -6.248 -8.609 1.00 73.44 C ATOM 0 HA PRO A 41 6.113 -4.724 -10.996 1.00 23.04 H new ATOM 0 HB2 PRO A 41 4.617 -7.273 -11.398 1.00 43.20 H new ATOM 0 HB3 PRO A 41 6.347 -7.101 -11.172 1.00 43.20 H new ATOM 0 HG2 PRO A 41 4.739 -8.267 -9.291 1.00 64.21 H new ATOM 0 HG3 PRO A 41 6.216 -7.425 -8.867 1.00 64.21 H new ATOM 0 HD2 PRO A 41 3.359 -6.417 -8.713 1.00 73.44 H new ATOM 0 HD3 PRO A 41 4.649 -6.233 -7.541 1.00 73.44 H new ATOM 617 N GLY A 42 2.895 -4.511 -11.190 1.00 33.24 N ATOM 618 CA GLY A 42 1.751 -4.054 -12.012 1.00 35.33 C ATOM 619 C GLY A 42 1.737 -2.542 -12.256 1.00 70.43 C ATOM 620 O GLY A 42 0.750 -1.853 -11.960 1.00 31.34 O ATOM 0 H GLY A 42 2.672 -4.609 -10.199 1.00 33.24 H new ATOM 0 HA2 GLY A 42 1.776 -4.568 -12.973 1.00 35.33 H new ATOM 0 HA3 GLY A 42 0.822 -4.343 -11.520 1.00 35.33 H new ATOM 624 N VAL A 43 2.855 -2.039 -12.799 1.00 33.35 N ATOM 625 CA VAL A 43 3.048 -0.626 -13.177 1.00 22.23 C ATOM 626 C VAL A 43 3.477 -0.556 -14.670 1.00 31.21 C ATOM 627 O VAL A 43 4.367 -1.311 -15.073 1.00 12.21 O ATOM 628 CB VAL A 43 4.149 0.052 -12.257 1.00 63.30 C ATOM 629 CG1 VAL A 43 4.578 1.452 -12.776 1.00 21.41 C ATOM 630 CG2 VAL A 43 3.668 0.131 -10.783 1.00 32.12 C ATOM 0 H VAL A 43 3.673 -2.616 -12.994 1.00 33.35 H new ATOM 0 HA VAL A 43 2.112 -0.084 -13.038 1.00 22.23 H new ATOM 0 HB VAL A 43 5.032 -0.585 -12.300 1.00 63.30 H new ATOM 0 HG11 VAL A 43 5.333 1.871 -12.110 1.00 21.41 H new ATOM 0 HG12 VAL A 43 4.992 1.357 -13.780 1.00 21.41 H new ATOM 0 HG13 VAL A 43 3.711 2.112 -12.802 1.00 21.41 H new ATOM 0 HG21 VAL A 43 4.440 0.599 -10.173 1.00 32.12 H new ATOM 0 HG22 VAL A 43 2.754 0.723 -10.730 1.00 32.12 H new ATOM 0 HG23 VAL A 43 3.471 -0.874 -10.410 1.00 32.12 H new ATOM 640 N PRO A 44 2.849 0.332 -15.520 1.00 31.31 N ATOM 641 CA PRO A 44 3.265 0.516 -16.940 1.00 31.43 C ATOM 642 C PRO A 44 4.747 0.972 -17.059 1.00 24.14 C ATOM 643 O PRO A 44 5.132 1.992 -16.466 1.00 13.23 O ATOM 644 CB PRO A 44 2.282 1.602 -17.472 1.00 14.03 C ATOM 645 CG PRO A 44 1.104 1.540 -16.541 1.00 41.51 C ATOM 646 CD PRO A 44 1.689 1.205 -15.184 1.00 22.11 C ATOM 0 HA PRO A 44 3.219 -0.411 -17.512 1.00 31.43 H new ATOM 0 HB2 PRO A 44 2.742 2.590 -17.464 1.00 14.03 H new ATOM 0 HB3 PRO A 44 1.985 1.397 -18.501 1.00 14.03 H new ATOM 0 HG2 PRO A 44 0.571 2.490 -16.516 1.00 41.51 H new ATOM 0 HG3 PRO A 44 0.389 0.782 -16.860 1.00 41.51 H new ATOM 0 HD2 PRO A 44 2.001 2.101 -14.648 1.00 22.11 H new ATOM 0 HD3 PRO A 44 0.967 0.690 -14.550 1.00 22.11 H new ATOM 654 N ARG A 45 5.567 0.185 -17.792 1.00 74.54 N ATOM 655 CA ARG A 45 7.019 0.446 -17.968 1.00 23.31 C ATOM 656 C ARG A 45 7.263 1.836 -18.611 1.00 3.21 C ATOM 657 O ARG A 45 6.730 2.124 -19.684 1.00 23.40 O ATOM 658 CB ARG A 45 7.667 -0.668 -18.844 1.00 74.45 C ATOM 659 CG ARG A 45 9.220 -0.648 -18.907 1.00 23.45 C ATOM 660 CD ARG A 45 9.872 -1.063 -17.575 1.00 5.23 C ATOM 661 NE ARG A 45 11.345 -0.974 -17.620 1.00 62.15 N ATOM 662 CZ ARG A 45 12.183 -1.983 -17.775 1.00 34.31 C ATOM 663 NH1 ARG A 45 11.758 -3.190 -17.964 1.00 21.04 N ATOM 664 NH2 ARG A 45 13.459 -1.771 -17.743 1.00 22.24 N ATOM 0 H ARG A 45 5.243 -0.650 -18.280 1.00 74.54 H new ATOM 0 HA ARG A 45 7.483 0.439 -16.982 1.00 23.31 H new ATOM 0 HB2 ARG A 45 7.348 -1.638 -18.462 1.00 74.45 H new ATOM 0 HB3 ARG A 45 7.278 -0.581 -19.859 1.00 74.45 H new ATOM 0 HG2 ARG A 45 9.557 -1.320 -19.697 1.00 23.45 H new ATOM 0 HG3 ARG A 45 9.556 0.354 -19.175 1.00 23.45 H new ATOM 0 HD2 ARG A 45 9.496 -0.425 -16.775 1.00 5.23 H new ATOM 0 HD3 ARG A 45 9.579 -2.085 -17.333 1.00 5.23 H new ATOM 0 HE ARG A 45 11.754 -0.045 -17.522 1.00 62.15 H new ATOM 0 HH11 ARG A 45 10.756 -3.379 -17.996 1.00 21.04 H new ATOM 0 HH12 ARG A 45 12.425 -3.953 -18.081 1.00 21.04 H new ATOM 0 HH21 ARG A 45 13.816 -0.826 -17.598 1.00 22.24 H new ATOM 0 HH22 ARG A 45 14.108 -2.549 -17.862 1.00 22.24 H new ATOM 678 N GLY A 46 8.061 2.680 -17.936 1.00 13.13 N ATOM 679 CA GLY A 46 8.384 4.038 -18.418 1.00 44.42 C ATOM 680 C GLY A 46 7.448 5.135 -17.892 1.00 53.21 C ATOM 681 O GLY A 46 7.647 6.317 -18.199 1.00 64.11 O ATOM 0 H GLY A 46 8.499 2.444 -17.046 1.00 13.13 H new ATOM 0 HA2 GLY A 46 9.407 4.280 -18.128 1.00 44.42 H new ATOM 0 HA3 GLY A 46 8.352 4.041 -19.508 1.00 44.42 H new ATOM 685 N THR A 47 6.423 4.748 -17.107 1.00 53.34 N ATOM 686 CA THR A 47 5.435 5.694 -16.523 1.00 31.34 C ATOM 687 C THR A 47 5.831 6.083 -15.083 1.00 52.25 C ATOM 688 O THR A 47 6.041 5.209 -14.231 1.00 50.31 O ATOM 689 CB THR A 47 3.992 5.077 -16.536 1.00 12.45 C ATOM 690 OG1 THR A 47 3.637 4.726 -17.886 1.00 35.03 O ATOM 691 CG2 THR A 47 2.923 6.036 -15.971 1.00 2.25 C ATOM 0 H THR A 47 6.252 3.774 -16.857 1.00 53.34 H new ATOM 0 HA THR A 47 5.433 6.593 -17.139 1.00 31.34 H new ATOM 0 HB THR A 47 4.015 4.197 -15.893 1.00 12.45 H new ATOM 0 HG1 THR A 47 2.666 4.801 -17.999 1.00 35.03 H new ATOM 0 HG21 THR A 47 1.946 5.553 -16.006 1.00 2.25 H new ATOM 0 HG22 THR A 47 3.167 6.286 -14.939 1.00 2.25 H new ATOM 0 HG23 THR A 47 2.899 6.947 -16.569 1.00 2.25 H new ATOM 699 N GLN A 48 5.922 7.405 -14.833 1.00 64.15 N ATOM 700 CA GLN A 48 6.309 7.968 -13.516 1.00 21.13 C ATOM 701 C GLN A 48 5.190 7.783 -12.452 1.00 73.44 C ATOM 702 O GLN A 48 5.486 7.630 -11.262 1.00 55.33 O ATOM 703 CB GLN A 48 6.677 9.477 -13.679 1.00 73.14 C ATOM 704 CG GLN A 48 7.186 10.183 -12.397 1.00 13.34 C ATOM 705 CD GLN A 48 8.543 9.657 -11.898 1.00 74.11 C ATOM 706 OE1 GLN A 48 8.614 8.719 -11.109 1.00 21.44 O ATOM 707 NE2 GLN A 48 9.625 10.261 -12.342 1.00 33.20 N ATOM 0 H GLN A 48 5.730 8.117 -15.538 1.00 64.15 H new ATOM 0 HA GLN A 48 7.180 7.421 -13.156 1.00 21.13 H new ATOM 0 HB2 GLN A 48 7.443 9.565 -14.449 1.00 73.14 H new ATOM 0 HB3 GLN A 48 5.798 10.010 -14.041 1.00 73.14 H new ATOM 0 HG2 GLN A 48 7.270 11.252 -12.591 1.00 13.34 H new ATOM 0 HG3 GLN A 48 6.446 10.059 -11.607 1.00 13.34 H new ATOM 0 HE21 GLN A 48 9.543 11.038 -12.997 1.00 33.20 H new ATOM 0 HE22 GLN A 48 10.546 9.952 -12.031 1.00 33.20 H new ATOM 716 N LEU A 49 3.915 7.789 -12.911 1.00 11.41 N ATOM 717 CA LEU A 49 2.702 7.711 -12.050 1.00 41.34 C ATOM 718 C LEU A 49 2.522 8.983 -11.163 1.00 63.04 C ATOM 719 O LEU A 49 3.222 9.989 -11.324 1.00 55.14 O ATOM 720 CB LEU A 49 2.683 6.412 -11.172 1.00 33.35 C ATOM 721 CG LEU A 49 2.526 5.047 -11.920 1.00 12.14 C ATOM 722 CD1 LEU A 49 2.553 3.872 -10.918 1.00 72.40 C ATOM 723 CD2 LEU A 49 1.236 5.010 -12.782 1.00 35.02 C ATOM 0 H LEU A 49 3.693 7.849 -13.905 1.00 11.41 H new ATOM 0 HA LEU A 49 1.852 7.663 -12.731 1.00 41.34 H new ATOM 0 HB2 LEU A 49 3.609 6.378 -10.598 1.00 33.35 H new ATOM 0 HB3 LEU A 49 1.867 6.500 -10.455 1.00 33.35 H new ATOM 0 HG LEU A 49 3.373 4.943 -12.598 1.00 12.14 H new ATOM 0 HD11 LEU A 49 2.442 2.931 -11.457 1.00 72.40 H new ATOM 0 HD12 LEU A 49 3.502 3.873 -10.381 1.00 72.40 H new ATOM 0 HD13 LEU A 49 1.734 3.981 -10.207 1.00 72.40 H new ATOM 0 HD21 LEU A 49 1.163 4.046 -13.286 1.00 35.02 H new ATOM 0 HD22 LEU A 49 0.366 5.152 -12.141 1.00 35.02 H new ATOM 0 HD23 LEU A 49 1.272 5.806 -13.526 1.00 35.02 H new ATOM 735 N SER A 50 1.548 8.914 -10.240 1.00 71.00 N ATOM 736 CA SER A 50 1.214 9.994 -9.277 1.00 74.32 C ATOM 737 C SER A 50 1.074 9.421 -7.848 1.00 14.35 C ATOM 738 O SER A 50 1.145 8.201 -7.659 1.00 41.30 O ATOM 739 CB SER A 50 -0.096 10.692 -9.705 1.00 3.54 C ATOM 740 OG SER A 50 0.033 11.285 -10.982 1.00 63.51 O ATOM 0 H SER A 50 0.954 8.091 -10.135 1.00 71.00 H new ATOM 0 HA SER A 50 2.022 10.726 -9.276 1.00 74.32 H new ATOM 0 HB2 SER A 50 -0.910 9.967 -9.719 1.00 3.54 H new ATOM 0 HB3 SER A 50 -0.361 11.454 -8.972 1.00 3.54 H new ATOM 0 HG SER A 50 -0.811 11.718 -11.228 1.00 63.51 H new ATOM 746 N GLN A 51 0.863 10.314 -6.850 1.00 11.12 N ATOM 747 CA GLN A 51 0.694 9.929 -5.418 1.00 15.22 C ATOM 748 C GLN A 51 -0.486 8.946 -5.218 1.00 14.35 C ATOM 749 O GLN A 51 -0.358 7.923 -4.531 1.00 70.25 O ATOM 750 CB GLN A 51 0.464 11.195 -4.531 1.00 71.04 C ATOM 751 CG GLN A 51 1.580 12.254 -4.590 1.00 51.14 C ATOM 752 CD GLN A 51 2.933 11.725 -4.114 1.00 23.45 C ATOM 753 OE1 GLN A 51 3.737 11.245 -4.902 1.00 73.41 O ATOM 754 NE2 GLN A 51 3.181 11.791 -2.821 1.00 31.25 N ATOM 0 H GLN A 51 0.805 11.320 -7.010 1.00 11.12 H new ATOM 0 HA GLN A 51 1.613 9.428 -5.114 1.00 15.22 H new ATOM 0 HB2 GLN A 51 -0.474 11.663 -4.831 1.00 71.04 H new ATOM 0 HB3 GLN A 51 0.344 10.876 -3.496 1.00 71.04 H new ATOM 0 HG2 GLN A 51 1.677 12.614 -5.614 1.00 51.14 H new ATOM 0 HG3 GLN A 51 1.295 13.109 -3.977 1.00 51.14 H new ATOM 0 HE21 GLN A 51 2.491 12.197 -2.189 1.00 31.25 H new ATOM 0 HE22 GLN A 51 4.063 11.436 -2.452 1.00 31.25 H new ATOM 763 N VAL A 52 -1.637 9.286 -5.832 1.00 24.33 N ATOM 764 CA VAL A 52 -2.862 8.454 -5.754 1.00 43.52 C ATOM 765 C VAL A 52 -2.708 7.160 -6.589 1.00 74.35 C ATOM 766 O VAL A 52 -3.153 6.096 -6.165 1.00 72.03 O ATOM 767 CB VAL A 52 -4.162 9.214 -6.233 1.00 65.32 C ATOM 768 CG1 VAL A 52 -5.440 8.450 -5.795 1.00 63.22 C ATOM 769 CG2 VAL A 52 -4.184 10.675 -5.733 1.00 20.54 C ATOM 0 H VAL A 52 -1.747 10.133 -6.390 1.00 24.33 H new ATOM 0 HA VAL A 52 -2.983 8.211 -4.698 1.00 43.52 H new ATOM 0 HB VAL A 52 -4.144 9.247 -7.322 1.00 65.32 H new ATOM 0 HG11 VAL A 52 -6.322 8.992 -6.136 1.00 63.22 H new ATOM 0 HG12 VAL A 52 -5.435 7.452 -6.233 1.00 63.22 H new ATOM 0 HG13 VAL A 52 -5.461 8.369 -4.708 1.00 63.22 H new ATOM 0 HG21 VAL A 52 -5.093 11.165 -6.082 1.00 20.54 H new ATOM 0 HG22 VAL A 52 -4.161 10.687 -4.643 1.00 20.54 H new ATOM 0 HG23 VAL A 52 -3.314 11.205 -6.120 1.00 20.54 H new ATOM 779 N GLU A 53 -2.068 7.287 -7.775 1.00 11.54 N ATOM 780 CA GLU A 53 -1.804 6.153 -8.696 1.00 52.34 C ATOM 781 C GLU A 53 -1.089 4.991 -7.991 1.00 33.22 C ATOM 782 O GLU A 53 -1.522 3.855 -8.106 1.00 54.32 O ATOM 783 CB GLU A 53 -0.963 6.625 -9.916 1.00 21.31 C ATOM 784 CG GLU A 53 -1.736 7.403 -10.995 1.00 13.41 C ATOM 785 CD GLU A 53 -2.737 6.503 -11.737 1.00 31.54 C ATOM 786 OE1 GLU A 53 -2.292 5.621 -12.514 1.00 73.00 O ATOM 787 OE2 GLU A 53 -3.963 6.651 -11.540 1.00 3.45 O ATOM 0 H GLU A 53 -1.719 8.180 -8.122 1.00 11.54 H new ATOM 0 HA GLU A 53 -2.772 5.790 -9.041 1.00 52.34 H new ATOM 0 HB2 GLU A 53 -0.150 7.253 -9.553 1.00 21.31 H new ATOM 0 HB3 GLU A 53 -0.507 5.751 -10.380 1.00 21.31 H new ATOM 0 HG2 GLU A 53 -2.268 8.235 -10.533 1.00 13.41 H new ATOM 0 HG3 GLU A 53 -1.033 7.831 -11.709 1.00 13.41 H new ATOM 794 N ILE A 54 -0.006 5.302 -7.245 1.00 20.15 N ATOM 795 CA ILE A 54 0.772 4.295 -6.484 1.00 10.13 C ATOM 796 C ILE A 54 -0.119 3.540 -5.467 1.00 73.14 C ATOM 797 O ILE A 54 -0.057 2.315 -5.403 1.00 21.42 O ATOM 798 CB ILE A 54 2.020 4.949 -5.776 1.00 73.51 C ATOM 799 CG1 ILE A 54 3.037 5.482 -6.850 1.00 70.24 C ATOM 800 CG2 ILE A 54 2.708 3.968 -4.778 1.00 64.23 C ATOM 801 CD1 ILE A 54 4.273 6.163 -6.282 1.00 21.12 C ATOM 0 H ILE A 54 0.353 6.252 -7.153 1.00 20.15 H new ATOM 0 HA ILE A 54 1.145 3.562 -7.200 1.00 10.13 H new ATOM 0 HB ILE A 54 1.664 5.794 -5.186 1.00 73.51 H new ATOM 0 HG12 ILE A 54 3.355 4.646 -7.474 1.00 70.24 H new ATOM 0 HG13 ILE A 54 2.519 6.186 -7.501 1.00 70.24 H new ATOM 0 HG21 ILE A 54 3.562 4.461 -4.314 1.00 64.23 H new ATOM 0 HG22 ILE A 54 1.996 3.674 -4.007 1.00 64.23 H new ATOM 0 HG23 ILE A 54 3.048 3.082 -5.315 1.00 64.23 H new ATOM 0 HD11 ILE A 54 4.913 6.496 -7.099 1.00 21.12 H new ATOM 0 HD12 ILE A 54 3.972 7.023 -5.683 1.00 21.12 H new ATOM 0 HD13 ILE A 54 4.821 5.459 -5.656 1.00 21.12 H new ATOM 813 N LEU A 55 -0.965 4.283 -4.714 1.00 52.31 N ATOM 814 CA LEU A 55 -1.988 3.677 -3.810 1.00 4.42 C ATOM 815 C LEU A 55 -2.853 2.626 -4.548 1.00 52.14 C ATOM 816 O LEU A 55 -3.002 1.504 -4.072 1.00 14.53 O ATOM 817 CB LEU A 55 -2.917 4.773 -3.211 1.00 54.42 C ATOM 818 CG LEU A 55 -2.260 5.792 -2.228 1.00 21.20 C ATOM 819 CD1 LEU A 55 -3.272 6.885 -1.792 1.00 72.42 C ATOM 820 CD2 LEU A 55 -1.656 5.066 -1.001 1.00 31.25 C ATOM 0 H LEU A 55 -0.964 5.303 -4.711 1.00 52.31 H new ATOM 0 HA LEU A 55 -1.445 3.180 -3.006 1.00 4.42 H new ATOM 0 HB2 LEU A 55 -3.358 5.333 -4.036 1.00 54.42 H new ATOM 0 HB3 LEU A 55 -3.735 4.277 -2.689 1.00 54.42 H new ATOM 0 HG LEU A 55 -1.447 6.289 -2.756 1.00 21.20 H new ATOM 0 HD11 LEU A 55 -2.785 7.580 -1.108 1.00 72.42 H new ATOM 0 HD12 LEU A 55 -3.623 7.427 -2.670 1.00 72.42 H new ATOM 0 HD13 LEU A 55 -4.120 6.417 -1.291 1.00 72.42 H new ATOM 0 HD21 LEU A 55 -1.204 5.798 -0.331 1.00 31.25 H new ATOM 0 HD22 LEU A 55 -2.443 4.528 -0.473 1.00 31.25 H new ATOM 0 HD23 LEU A 55 -0.895 4.360 -1.334 1.00 31.25 H new ATOM 832 N GLN A 56 -3.370 3.011 -5.733 1.00 21.41 N ATOM 833 CA GLN A 56 -4.222 2.139 -6.579 1.00 41.54 C ATOM 834 C GLN A 56 -3.462 0.863 -7.025 1.00 21.13 C ATOM 835 O GLN A 56 -3.997 -0.233 -6.929 1.00 62.04 O ATOM 836 CB GLN A 56 -4.710 2.909 -7.832 1.00 54.35 C ATOM 837 CG GLN A 56 -5.411 4.255 -7.543 1.00 64.32 C ATOM 838 CD GLN A 56 -5.721 5.057 -8.810 1.00 72.03 C ATOM 839 OE1 GLN A 56 -6.063 4.501 -9.846 1.00 54.53 O ATOM 840 NE2 GLN A 56 -5.557 6.362 -8.752 1.00 30.14 N ATOM 0 H GLN A 56 -3.210 3.935 -6.134 1.00 21.41 H new ATOM 0 HA GLN A 56 -5.080 1.839 -5.977 1.00 41.54 H new ATOM 0 HB2 GLN A 56 -3.854 3.095 -8.481 1.00 54.35 H new ATOM 0 HB3 GLN A 56 -5.398 2.271 -8.386 1.00 54.35 H new ATOM 0 HG2 GLN A 56 -6.339 4.066 -7.004 1.00 64.32 H new ATOM 0 HG3 GLN A 56 -4.778 4.853 -6.887 1.00 64.32 H new ATOM 0 HE21 GLN A 56 -5.272 6.802 -7.877 1.00 30.14 H new ATOM 0 HE22 GLN A 56 -5.715 6.933 -9.582 1.00 30.14 H new ATOM 849 N ARG A 57 -2.201 1.043 -7.483 1.00 41.05 N ATOM 850 CA ARG A 57 -1.326 -0.059 -7.962 1.00 62.22 C ATOM 851 C ARG A 57 -1.084 -1.107 -6.853 1.00 2.43 C ATOM 852 O ARG A 57 -1.011 -2.307 -7.127 1.00 4.12 O ATOM 853 CB ARG A 57 0.039 0.506 -8.455 1.00 61.01 C ATOM 854 CG ARG A 57 -0.048 1.554 -9.585 1.00 45.33 C ATOM 855 CD ARG A 57 -0.645 1.008 -10.887 1.00 41.24 C ATOM 856 NE ARG A 57 -0.924 2.088 -11.853 1.00 72.11 N ATOM 857 CZ ARG A 57 -1.303 1.912 -13.098 1.00 53.23 C ATOM 858 NH1 ARG A 57 -1.393 0.726 -13.614 1.00 55.21 N ATOM 859 NH2 ARG A 57 -1.592 2.941 -13.825 1.00 74.51 N ATOM 0 H ARG A 57 -1.758 1.960 -7.532 1.00 41.05 H new ATOM 0 HA ARG A 57 -1.836 -0.548 -8.792 1.00 62.22 H new ATOM 0 HB2 ARG A 57 0.556 0.954 -7.606 1.00 61.01 H new ATOM 0 HB3 ARG A 57 0.654 -0.325 -8.800 1.00 61.01 H new ATOM 0 HG2 ARG A 57 -0.652 2.395 -9.243 1.00 45.33 H new ATOM 0 HG3 ARG A 57 0.951 1.941 -9.788 1.00 45.33 H new ATOM 0 HD2 ARG A 57 0.045 0.291 -11.332 1.00 41.24 H new ATOM 0 HD3 ARG A 57 -1.567 0.469 -10.667 1.00 41.24 H new ATOM 0 HE ARG A 57 -0.814 3.048 -11.528 1.00 72.11 H new ATOM 0 HH11 ARG A 57 -1.167 -0.094 -13.051 1.00 55.21 H new ATOM 0 HH12 ARG A 57 -1.690 0.613 -14.583 1.00 55.21 H new ATOM 0 HH21 ARG A 57 -1.525 3.879 -13.431 1.00 74.51 H new ATOM 0 HH22 ARG A 57 -1.887 2.815 -14.793 1.00 74.51 H new ATOM 873 N VAL A 58 -0.959 -0.617 -5.605 1.00 31.05 N ATOM 874 CA VAL A 58 -0.813 -1.464 -4.408 1.00 74.52 C ATOM 875 C VAL A 58 -2.122 -2.230 -4.092 1.00 51.25 C ATOM 876 O VAL A 58 -2.078 -3.415 -3.756 1.00 60.32 O ATOM 877 CB VAL A 58 -0.379 -0.608 -3.166 1.00 15.14 C ATOM 878 CG1 VAL A 58 -0.324 -1.459 -1.885 1.00 72.00 C ATOM 879 CG2 VAL A 58 0.978 0.090 -3.416 1.00 52.14 C ATOM 0 H VAL A 58 -0.957 0.382 -5.399 1.00 31.05 H new ATOM 0 HA VAL A 58 -0.033 -2.195 -4.622 1.00 74.52 H new ATOM 0 HB VAL A 58 -1.137 0.162 -3.023 1.00 15.14 H new ATOM 0 HG11 VAL A 58 -0.020 -0.834 -1.046 1.00 72.00 H new ATOM 0 HG12 VAL A 58 -1.309 -1.880 -1.686 1.00 72.00 H new ATOM 0 HG13 VAL A 58 0.396 -2.267 -2.015 1.00 72.00 H new ATOM 0 HG21 VAL A 58 1.253 0.676 -2.539 1.00 52.14 H new ATOM 0 HG22 VAL A 58 1.744 -0.662 -3.605 1.00 52.14 H new ATOM 0 HG23 VAL A 58 0.895 0.749 -4.280 1.00 52.14 H new ATOM 889 N ILE A 59 -3.276 -1.539 -4.200 1.00 64.55 N ATOM 890 CA ILE A 59 -4.607 -2.158 -3.999 1.00 2.32 C ATOM 891 C ILE A 59 -4.807 -3.335 -4.989 1.00 53.14 C ATOM 892 O ILE A 59 -5.127 -4.443 -4.571 1.00 14.42 O ATOM 893 CB ILE A 59 -5.762 -1.093 -4.162 1.00 31.13 C ATOM 894 CG1 ILE A 59 -5.621 0.051 -3.103 1.00 53.15 C ATOM 895 CG2 ILE A 59 -7.172 -1.740 -4.074 1.00 31.14 C ATOM 896 CD1 ILE A 59 -6.517 1.256 -3.343 1.00 21.03 C ATOM 0 H ILE A 59 -3.314 -0.545 -4.427 1.00 64.55 H new ATOM 0 HA ILE A 59 -4.651 -2.545 -2.981 1.00 2.32 H new ATOM 0 HB ILE A 59 -5.659 -0.664 -5.159 1.00 31.13 H new ATOM 0 HG12 ILE A 59 -5.841 -0.357 -2.117 1.00 53.15 H new ATOM 0 HG13 ILE A 59 -4.584 0.385 -3.086 1.00 53.15 H new ATOM 0 HG21 ILE A 59 -7.934 -0.969 -4.192 1.00 31.14 H new ATOM 0 HG22 ILE A 59 -7.282 -2.482 -4.865 1.00 31.14 H new ATOM 0 HG23 ILE A 59 -7.291 -2.223 -3.104 1.00 31.14 H new ATOM 0 HD11 ILE A 59 -6.350 1.995 -2.560 1.00 21.03 H new ATOM 0 HD12 ILE A 59 -6.284 1.696 -4.313 1.00 21.03 H new ATOM 0 HD13 ILE A 59 -7.561 0.942 -3.329 1.00 21.03 H new ATOM 908 N ASP A 60 -4.558 -3.077 -6.289 1.00 30.42 N ATOM 909 CA ASP A 60 -4.631 -4.101 -7.363 1.00 51.32 C ATOM 910 C ASP A 60 -3.609 -5.246 -7.160 1.00 42.53 C ATOM 911 O ASP A 60 -3.903 -6.408 -7.472 1.00 74.44 O ATOM 912 CB ASP A 60 -4.419 -3.434 -8.747 1.00 55.13 C ATOM 913 CG ASP A 60 -5.553 -2.461 -9.106 1.00 34.43 C ATOM 914 OD1 ASP A 60 -6.699 -2.920 -9.290 1.00 65.14 O ATOM 915 OD2 ASP A 60 -5.312 -1.242 -9.205 1.00 61.55 O ATOM 0 H ASP A 60 -4.299 -2.151 -6.629 1.00 30.42 H new ATOM 0 HA ASP A 60 -5.625 -4.547 -7.318 1.00 51.32 H new ATOM 0 HB2 ASP A 60 -3.470 -2.898 -8.748 1.00 55.13 H new ATOM 0 HB3 ASP A 60 -4.350 -4.206 -9.513 1.00 55.13 H new ATOM 920 N TYR A 61 -2.417 -4.898 -6.643 1.00 72.50 N ATOM 921 CA TYR A 61 -1.357 -5.871 -6.305 1.00 54.10 C ATOM 922 C TYR A 61 -1.850 -6.904 -5.264 1.00 40.11 C ATOM 923 O TYR A 61 -1.668 -8.110 -5.438 1.00 44.42 O ATOM 924 CB TYR A 61 -0.100 -5.126 -5.773 1.00 53.41 C ATOM 925 CG TYR A 61 1.003 -6.045 -5.221 1.00 14.35 C ATOM 926 CD1 TYR A 61 1.783 -6.830 -6.075 1.00 50.41 C ATOM 927 CD2 TYR A 61 1.253 -6.147 -3.845 1.00 62.01 C ATOM 928 CE1 TYR A 61 2.759 -7.671 -5.587 1.00 63.05 C ATOM 929 CE2 TYR A 61 2.234 -6.988 -3.359 1.00 64.22 C ATOM 930 CZ TYR A 61 2.981 -7.746 -4.234 1.00 10.24 C ATOM 931 OH TYR A 61 3.957 -8.582 -3.758 1.00 64.23 O ATOM 0 H TYR A 61 -2.159 -3.931 -6.446 1.00 72.50 H new ATOM 0 HA TYR A 61 -1.094 -6.414 -7.213 1.00 54.10 H new ATOM 0 HB2 TYR A 61 0.317 -4.523 -6.580 1.00 53.41 H new ATOM 0 HB3 TYR A 61 -0.408 -4.437 -4.987 1.00 53.41 H new ATOM 0 HD1 TYR A 61 1.617 -6.776 -7.141 1.00 50.41 H new ATOM 0 HD2 TYR A 61 0.668 -5.558 -3.154 1.00 62.01 H new ATOM 0 HE1 TYR A 61 3.348 -8.269 -6.266 1.00 63.05 H new ATOM 0 HE2 TYR A 61 2.415 -7.052 -2.296 1.00 64.22 H new ATOM 0 HH TYR A 61 4.779 -8.071 -3.603 1.00 64.23 H new ATOM 941 N ILE A 62 -2.472 -6.404 -4.185 1.00 11.51 N ATOM 942 CA ILE A 62 -2.984 -7.258 -3.098 1.00 54.34 C ATOM 943 C ILE A 62 -4.261 -8.019 -3.548 1.00 34.45 C ATOM 944 O ILE A 62 -4.451 -9.173 -3.174 1.00 73.31 O ATOM 945 CB ILE A 62 -3.268 -6.429 -1.790 1.00 3.10 C ATOM 946 CG1 ILE A 62 -2.008 -5.589 -1.369 1.00 42.32 C ATOM 947 CG2 ILE A 62 -3.703 -7.369 -0.638 1.00 62.44 C ATOM 948 CD1 ILE A 62 -2.228 -4.631 -0.201 1.00 3.12 C ATOM 0 H ILE A 62 -2.634 -5.407 -4.040 1.00 11.51 H new ATOM 0 HA ILE A 62 -2.208 -7.987 -2.866 1.00 54.34 H new ATOM 0 HB ILE A 62 -4.081 -5.734 -2.000 1.00 3.10 H new ATOM 0 HG12 ILE A 62 -1.203 -6.276 -1.108 1.00 42.32 H new ATOM 0 HG13 ILE A 62 -1.669 -5.014 -2.231 1.00 42.32 H new ATOM 0 HG21 ILE A 62 -3.895 -6.780 0.259 1.00 62.44 H new ATOM 0 HG22 ILE A 62 -4.610 -7.900 -0.925 1.00 62.44 H new ATOM 0 HG23 ILE A 62 -2.910 -8.089 -0.436 1.00 62.44 H new ATOM 0 HD11 ILE A 62 -1.301 -4.099 0.013 1.00 3.12 H new ATOM 0 HD12 ILE A 62 -3.007 -3.914 -0.460 1.00 3.12 H new ATOM 0 HD13 ILE A 62 -2.533 -5.195 0.680 1.00 3.12 H new ATOM 960 N LEU A 63 -5.112 -7.369 -4.372 1.00 43.41 N ATOM 961 CA LEU A 63 -6.297 -8.017 -4.999 1.00 4.02 C ATOM 962 C LEU A 63 -5.890 -9.234 -5.871 1.00 65.33 C ATOM 963 O LEU A 63 -6.622 -10.222 -5.953 1.00 62.33 O ATOM 964 CB LEU A 63 -7.098 -6.986 -5.852 1.00 2.43 C ATOM 965 CG LEU A 63 -7.872 -5.879 -5.058 1.00 5.32 C ATOM 966 CD1 LEU A 63 -8.522 -4.849 -6.016 1.00 53.02 C ATOM 967 CD2 LEU A 63 -8.919 -6.502 -4.102 1.00 74.04 C ATOM 0 H LEU A 63 -5.003 -6.387 -4.623 1.00 43.41 H new ATOM 0 HA LEU A 63 -6.934 -8.382 -4.194 1.00 4.02 H new ATOM 0 HB2 LEU A 63 -6.405 -6.495 -6.535 1.00 2.43 H new ATOM 0 HB3 LEU A 63 -7.815 -7.533 -6.464 1.00 2.43 H new ATOM 0 HG LEU A 63 -7.147 -5.343 -4.446 1.00 5.32 H new ATOM 0 HD11 LEU A 63 -9.051 -4.094 -5.434 1.00 53.02 H new ATOM 0 HD12 LEU A 63 -7.747 -4.369 -6.614 1.00 53.02 H new ATOM 0 HD13 LEU A 63 -9.225 -5.358 -6.675 1.00 53.02 H new ATOM 0 HD21 LEU A 63 -9.439 -5.709 -3.565 1.00 74.04 H new ATOM 0 HD22 LEU A 63 -9.639 -7.082 -4.679 1.00 74.04 H new ATOM 0 HD23 LEU A 63 -8.417 -7.154 -3.388 1.00 74.04 H new ATOM 979 N ASP A 64 -4.707 -9.136 -6.509 1.00 22.52 N ATOM 980 CA ASP A 64 -4.098 -10.240 -7.281 1.00 43.14 C ATOM 981 C ASP A 64 -3.740 -11.442 -6.352 1.00 10.24 C ATOM 982 O ASP A 64 -3.915 -12.604 -6.728 1.00 2.02 O ATOM 983 CB ASP A 64 -2.843 -9.702 -8.020 1.00 63.30 C ATOM 984 CG ASP A 64 -2.117 -10.748 -8.880 1.00 73.31 C ATOM 985 OD1 ASP A 64 -2.606 -11.067 -9.984 1.00 14.52 O ATOM 986 OD2 ASP A 64 -1.062 -11.267 -8.456 1.00 72.42 O ATOM 0 H ASP A 64 -4.144 -8.286 -6.504 1.00 22.52 H new ATOM 0 HA ASP A 64 -4.814 -10.610 -8.015 1.00 43.14 H new ATOM 0 HB2 ASP A 64 -3.140 -8.869 -8.657 1.00 63.30 H new ATOM 0 HB3 ASP A 64 -2.144 -9.306 -7.283 1.00 63.30 H new ATOM 991 N LEU A 65 -3.272 -11.129 -5.128 1.00 72.23 N ATOM 992 CA LEU A 65 -2.855 -12.140 -4.119 1.00 62.23 C ATOM 993 C LEU A 65 -4.069 -12.767 -3.382 1.00 21.31 C ATOM 994 O LEU A 65 -4.036 -13.941 -3.005 1.00 34.50 O ATOM 995 CB LEU A 65 -1.885 -11.490 -3.095 1.00 2.25 C ATOM 996 CG LEU A 65 -0.645 -10.759 -3.703 1.00 52.44 C ATOM 997 CD1 LEU A 65 0.257 -10.165 -2.599 1.00 2.31 C ATOM 998 CD2 LEU A 65 0.154 -11.683 -4.662 1.00 25.31 C ATOM 0 H LEU A 65 -3.170 -10.167 -4.804 1.00 72.23 H new ATOM 0 HA LEU A 65 -2.347 -12.946 -4.648 1.00 62.23 H new ATOM 0 HB2 LEU A 65 -2.447 -10.774 -2.495 1.00 2.25 H new ATOM 0 HB3 LEU A 65 -1.529 -12.266 -2.417 1.00 2.25 H new ATOM 0 HG LEU A 65 -1.019 -9.927 -4.300 1.00 52.44 H new ATOM 0 HD11 LEU A 65 1.110 -9.664 -3.057 1.00 2.31 H new ATOM 0 HD12 LEU A 65 -0.313 -9.446 -2.011 1.00 2.31 H new ATOM 0 HD13 LEU A 65 0.612 -10.965 -1.950 1.00 2.31 H new ATOM 0 HD21 LEU A 65 1.008 -11.138 -5.064 1.00 25.31 H new ATOM 0 HD22 LEU A 65 0.506 -12.558 -4.115 1.00 25.31 H new ATOM 0 HD23 LEU A 65 -0.491 -12.002 -5.481 1.00 25.31 H new ATOM 1010 N GLN A 66 -5.129 -11.964 -3.188 1.00 53.41 N ATOM 1011 CA GLN A 66 -6.357 -12.375 -2.456 1.00 14.51 C ATOM 1012 C GLN A 66 -7.341 -13.126 -3.386 1.00 73.04 C ATOM 1013 O GLN A 66 -7.464 -12.779 -4.561 1.00 70.42 O ATOM 1014 CB GLN A 66 -7.071 -11.130 -1.833 1.00 24.51 C ATOM 1015 CG GLN A 66 -6.236 -10.332 -0.808 1.00 72.45 C ATOM 1016 CD GLN A 66 -5.847 -11.134 0.442 1.00 33.13 C ATOM 1017 OE1 GLN A 66 -4.804 -11.773 0.486 1.00 33.24 O ATOM 1018 NE2 GLN A 66 -6.689 -11.109 1.461 1.00 51.20 N ATOM 0 H GLN A 66 -5.166 -11.005 -3.533 1.00 53.41 H new ATOM 0 HA GLN A 66 -6.051 -13.050 -1.657 1.00 14.51 H new ATOM 0 HB2 GLN A 66 -7.363 -10.458 -2.640 1.00 24.51 H new ATOM 0 HB3 GLN A 66 -7.988 -11.463 -1.348 1.00 24.51 H new ATOM 0 HG2 GLN A 66 -5.328 -9.974 -1.294 1.00 72.45 H new ATOM 0 HG3 GLN A 66 -6.801 -9.452 -0.501 1.00 72.45 H new ATOM 0 HE21 GLN A 66 -7.551 -10.568 1.397 1.00 51.20 H new ATOM 0 HE22 GLN A 66 -6.476 -11.631 2.311 1.00 51.20 H new ATOM 1431 N ASP B 27 -12.112 12.781 0.396 1.00 21.01 N ATOM 1432 CA ASP B 27 -10.716 12.620 -0.079 1.00 61.23 C ATOM 1433 C ASP B 27 -10.504 11.287 -0.848 1.00 44.13 C ATOM 1434 O ASP B 27 -10.564 10.200 -0.269 1.00 2.10 O ATOM 1435 CB ASP B 27 -9.695 12.776 1.083 1.00 43.22 C ATOM 1436 CG ASP B 27 -9.820 14.141 1.783 1.00 70.24 C ATOM 1437 OD1 ASP B 27 -9.387 15.155 1.199 1.00 2.35 O ATOM 1438 OD2 ASP B 27 -10.377 14.214 2.900 1.00 4.11 O ATOM 0 HA ASP B 27 -10.532 13.426 -0.790 1.00 61.23 H new ATOM 0 HB2 ASP B 27 -9.850 11.980 1.811 1.00 43.22 H new ATOM 0 HB3 ASP B 27 -8.683 12.659 0.694 1.00 43.22 H new ATOM 1443 N ASP B 28 -10.244 11.405 -2.162 1.00 53.12 N ATOM 1444 CA ASP B 28 -9.998 10.256 -3.070 1.00 14.44 C ATOM 1445 C ASP B 28 -8.798 9.387 -2.598 1.00 3.30 C ATOM 1446 O ASP B 28 -8.814 8.159 -2.750 1.00 21.33 O ATOM 1447 CB ASP B 28 -9.762 10.792 -4.509 1.00 0.14 C ATOM 1448 CG ASP B 28 -9.600 9.685 -5.561 1.00 62.42 C ATOM 1449 OD1 ASP B 28 -10.547 8.894 -5.745 1.00 54.04 O ATOM 1450 OD2 ASP B 28 -8.538 9.611 -6.213 1.00 51.24 O ATOM 0 H ASP B 28 -10.197 12.308 -2.634 1.00 53.12 H new ATOM 0 HA ASP B 28 -10.875 9.608 -3.057 1.00 14.44 H new ATOM 0 HB2 ASP B 28 -10.600 11.430 -4.792 1.00 0.14 H new ATOM 0 HB3 ASP B 28 -8.869 11.418 -4.512 1.00 0.14 H new ATOM 1455 N MET B 29 -7.780 10.044 -2.008 1.00 24.03 N ATOM 1456 CA MET B 29 -6.609 9.353 -1.433 1.00 44.00 C ATOM 1457 C MET B 29 -6.997 8.547 -0.177 1.00 20.32 C ATOM 1458 O MET B 29 -6.522 7.435 0.007 1.00 61.53 O ATOM 1459 CB MET B 29 -5.475 10.355 -1.083 1.00 43.12 C ATOM 1460 CG MET B 29 -5.022 11.233 -2.256 1.00 43.30 C ATOM 1461 SD MET B 29 -3.426 12.024 -1.981 1.00 73.54 S ATOM 1462 CE MET B 29 -2.323 10.605 -1.967 1.00 13.11 C ATOM 0 H MET B 29 -7.746 11.059 -1.917 1.00 24.03 H new ATOM 0 HA MET B 29 -6.241 8.663 -2.193 1.00 44.00 H new ATOM 0 HB2 MET B 29 -5.814 11.000 -0.272 1.00 43.12 H new ATOM 0 HB3 MET B 29 -4.616 9.797 -0.709 1.00 43.12 H new ATOM 0 HG2 MET B 29 -4.966 10.622 -3.157 1.00 43.30 H new ATOM 0 HG3 MET B 29 -5.774 12.001 -2.437 1.00 43.30 H new ATOM 0 HE1 MET B 29 -1.290 10.946 -2.038 1.00 13.11 H new ATOM 0 HE2 MET B 29 -2.458 10.048 -1.040 1.00 13.11 H new ATOM 0 HE3 MET B 29 -2.551 9.959 -2.815 1.00 13.11 H new ATOM 1472 N ASN B 30 -7.882 9.123 0.667 1.00 51.14 N ATOM 1473 CA ASN B 30 -8.346 8.479 1.926 1.00 71.24 C ATOM 1474 C ASN B 30 -9.284 7.277 1.614 1.00 40.41 C ATOM 1475 O ASN B 30 -9.352 6.319 2.388 1.00 74.34 O ATOM 1476 CB ASN B 30 -9.043 9.538 2.832 1.00 23.30 C ATOM 1477 CG ASN B 30 -9.175 9.140 4.316 1.00 41.42 C ATOM 1478 OD1 ASN B 30 -9.271 7.971 4.671 1.00 42.14 O ATOM 1479 ND2 ASN B 30 -9.189 10.120 5.196 1.00 3.23 N ATOM 0 H ASN B 30 -8.295 10.041 0.501 1.00 51.14 H new ATOM 0 HA ASN B 30 -7.487 8.083 2.467 1.00 71.24 H new ATOM 0 HB2 ASN B 30 -8.484 10.472 2.770 1.00 23.30 H new ATOM 0 HB3 ASN B 30 -10.038 9.736 2.434 1.00 23.30 H new ATOM 0 HD21 ASN B 30 -9.281 9.911 6.190 1.00 3.23 H new ATOM 0 HD22 ASN B 30 -9.108 11.087 4.883 1.00 3.23 H new ATOM 1486 N HIS B 31 -9.994 7.346 0.467 1.00 74.43 N ATOM 1487 CA HIS B 31 -10.766 6.204 -0.088 1.00 22.33 C ATOM 1488 C HIS B 31 -9.816 5.017 -0.417 1.00 32.25 C ATOM 1489 O HIS B 31 -10.109 3.859 -0.092 1.00 2.53 O ATOM 1490 CB HIS B 31 -11.531 6.667 -1.360 1.00 73.54 C ATOM 1491 CG HIS B 31 -12.364 5.592 -2.037 1.00 3.22 C ATOM 1492 ND1 HIS B 31 -11.812 4.734 -2.961 1.00 21.24 N ATOM 1493 CD2 HIS B 31 -13.681 5.286 -1.900 1.00 2.40 C ATOM 1494 CE1 HIS B 31 -12.787 3.941 -3.358 1.00 41.34 C ATOM 1495 NE2 HIS B 31 -13.936 4.235 -2.743 1.00 1.21 N ATOM 0 H HIS B 31 -10.051 8.191 -0.102 1.00 74.43 H new ATOM 0 HA HIS B 31 -11.487 5.861 0.654 1.00 22.33 H new ATOM 0 HB2 HIS B 31 -12.185 7.496 -1.090 1.00 73.54 H new ATOM 0 HB3 HIS B 31 -10.809 7.052 -2.080 1.00 73.54 H new ATOM 0 HD2 HIS B 31 -14.391 5.777 -1.251 1.00 2.40 H new ATOM 0 HE1 HIS B 31 -12.672 3.153 -4.088 1.00 41.34 H new ATOM 0 HE2 HIS B 31 -14.832 3.767 -2.875 1.00 1.21 H new ATOM 1503 N CYS B 32 -8.672 5.342 -1.051 1.00 14.24 N ATOM 1504 CA CYS B 32 -7.607 4.361 -1.366 1.00 52.34 C ATOM 1505 C CYS B 32 -6.907 3.824 -0.083 1.00 3.42 C ATOM 1506 O CYS B 32 -6.584 2.637 -0.002 1.00 41.25 O ATOM 1507 CB CYS B 32 -6.568 4.993 -2.321 1.00 73.12 C ATOM 1508 SG CYS B 32 -7.229 5.475 -3.936 1.00 35.32 S ATOM 0 H CYS B 32 -8.458 6.290 -1.360 1.00 14.24 H new ATOM 0 HA CYS B 32 -8.079 3.510 -1.857 1.00 52.34 H new ATOM 0 HB2 CYS B 32 -6.139 5.873 -1.841 1.00 73.12 H new ATOM 0 HB3 CYS B 32 -5.754 4.284 -2.472 1.00 73.12 H new ATOM 0 HG CYS B 32 -7.942 6.555 -3.809 1.00 35.32 H new ATOM 1514 N TYR B 33 -6.700 4.719 0.908 1.00 61.33 N ATOM 1515 CA TYR B 33 -6.103 4.374 2.228 1.00 32.20 C ATOM 1516 C TYR B 33 -6.998 3.407 3.036 1.00 52.35 C ATOM 1517 O TYR B 33 -6.494 2.554 3.780 1.00 54.03 O ATOM 1518 CB TYR B 33 -5.818 5.664 3.064 1.00 50.54 C ATOM 1519 CG TYR B 33 -4.472 6.346 2.749 1.00 23.22 C ATOM 1520 CD1 TYR B 33 -3.284 5.672 3.005 1.00 43.22 C ATOM 1521 CD2 TYR B 33 -4.378 7.646 2.243 1.00 35.43 C ATOM 1522 CE1 TYR B 33 -2.063 6.247 2.769 1.00 23.20 C ATOM 1523 CE2 TYR B 33 -3.151 8.232 1.993 1.00 41.24 C ATOM 1524 CZ TYR B 33 -1.995 7.529 2.263 1.00 44.33 C ATOM 1525 OH TYR B 33 -0.770 8.113 2.029 1.00 61.53 O ATOM 0 H TYR B 33 -6.941 5.706 0.820 1.00 61.33 H new ATOM 0 HA TYR B 33 -5.161 3.865 2.026 1.00 32.20 H new ATOM 0 HB2 TYR B 33 -6.622 6.379 2.891 1.00 50.54 H new ATOM 0 HB3 TYR B 33 -5.842 5.408 4.123 1.00 50.54 H new ATOM 0 HD1 TYR B 33 -3.324 4.668 3.401 1.00 43.22 H new ATOM 0 HD2 TYR B 33 -5.281 8.203 2.044 1.00 35.43 H new ATOM 0 HE1 TYR B 33 -1.156 5.699 2.978 1.00 23.20 H new ATOM 0 HE2 TYR B 33 -3.098 9.232 1.589 1.00 41.24 H new ATOM 0 HH TYR B 33 -0.582 8.104 1.067 1.00 61.53 H new ATOM 1535 N SER B 34 -8.322 3.578 2.899 1.00 62.33 N ATOM 1536 CA SER B 34 -9.319 2.669 3.499 1.00 24.14 C ATOM 1537 C SER B 34 -9.192 1.249 2.905 1.00 21.22 C ATOM 1538 O SER B 34 -9.142 0.260 3.640 1.00 51.42 O ATOM 1539 CB SER B 34 -10.751 3.215 3.293 1.00 31.35 C ATOM 1540 OG SER B 34 -11.712 2.385 3.918 1.00 3.22 O ATOM 0 H SER B 34 -8.734 4.347 2.371 1.00 62.33 H new ATOM 0 HA SER B 34 -9.124 2.612 4.570 1.00 24.14 H new ATOM 0 HB2 SER B 34 -10.820 4.224 3.699 1.00 31.35 H new ATOM 0 HB3 SER B 34 -10.966 3.285 2.227 1.00 31.35 H new ATOM 0 HG SER B 34 -12.608 2.755 3.773 1.00 3.22 H new ATOM 1546 N ARG B 35 -9.084 1.189 1.563 1.00 1.04 N ATOM 1547 CA ARG B 35 -8.902 -0.072 0.804 1.00 23.22 C ATOM 1548 C ARG B 35 -7.593 -0.804 1.167 1.00 23.33 C ATOM 1549 O ARG B 35 -7.559 -2.036 1.184 1.00 13.12 O ATOM 1550 CB ARG B 35 -9.000 0.215 -0.706 1.00 41.55 C ATOM 1551 CG ARG B 35 -10.467 0.367 -1.156 1.00 12.33 C ATOM 1552 CD ARG B 35 -10.638 1.228 -2.392 1.00 72.24 C ATOM 1553 NE ARG B 35 -10.009 0.665 -3.611 1.00 54.25 N ATOM 1554 CZ ARG B 35 -10.614 0.484 -4.768 1.00 31.31 C ATOM 1555 NH1 ARG B 35 -11.894 0.621 -4.890 1.00 13.30 N ATOM 1556 NH2 ARG B 35 -9.931 0.121 -5.799 1.00 1.02 N ATOM 0 H ARG B 35 -9.120 2.017 0.968 1.00 1.04 H new ATOM 0 HA ARG B 35 -9.704 -0.753 1.087 1.00 23.22 H new ATOM 0 HB2 ARG B 35 -8.450 1.126 -0.941 1.00 41.55 H new ATOM 0 HB3 ARG B 35 -8.529 -0.595 -1.263 1.00 41.55 H new ATOM 0 HG2 ARG B 35 -10.882 -0.622 -1.352 1.00 12.33 H new ATOM 0 HG3 ARG B 35 -11.045 0.799 -0.340 1.00 12.33 H new ATOM 0 HD2 ARG B 35 -11.702 1.371 -2.578 1.00 72.24 H new ATOM 0 HD3 ARG B 35 -10.213 2.213 -2.198 1.00 72.24 H new ATOM 0 HE ARG B 35 -9.027 0.396 -3.549 1.00 54.25 H new ATOM 0 HH11 ARG B 35 -12.459 0.875 -4.080 1.00 13.30 H new ATOM 0 HH12 ARG B 35 -12.338 0.475 -5.796 1.00 13.30 H new ATOM 0 HH21 ARG B 35 -8.925 -0.026 -5.718 1.00 1.02 H new ATOM 0 HH22 ARG B 35 -10.397 -0.020 -6.695 1.00 1.02 H new ATOM 1570 N LEU B 36 -6.529 -0.031 1.471 1.00 54.21 N ATOM 1571 CA LEU B 36 -5.268 -0.583 2.013 1.00 50.20 C ATOM 1572 C LEU B 36 -5.528 -1.299 3.358 1.00 3.52 C ATOM 1573 O LEU B 36 -5.238 -2.480 3.494 1.00 5.24 O ATOM 1574 CB LEU B 36 -4.196 0.525 2.192 1.00 62.40 C ATOM 1575 CG LEU B 36 -3.713 1.235 0.887 1.00 32.11 C ATOM 1576 CD1 LEU B 36 -2.653 2.312 1.204 1.00 71.35 C ATOM 1577 CD2 LEU B 36 -3.185 0.212 -0.155 1.00 64.14 C ATOM 0 H LEU B 36 -6.518 0.982 1.350 1.00 54.21 H new ATOM 0 HA LEU B 36 -4.885 -1.307 1.294 1.00 50.20 H new ATOM 0 HB2 LEU B 36 -4.596 1.282 2.866 1.00 62.40 H new ATOM 0 HB3 LEU B 36 -3.328 0.086 2.684 1.00 62.40 H new ATOM 0 HG LEU B 36 -4.574 1.734 0.443 1.00 32.11 H new ATOM 0 HD11 LEU B 36 -2.333 2.791 0.279 1.00 71.35 H new ATOM 0 HD12 LEU B 36 -3.082 3.060 1.871 1.00 71.35 H new ATOM 0 HD13 LEU B 36 -1.794 1.846 1.687 1.00 71.35 H new ATOM 0 HD21 LEU B 36 -2.857 0.741 -1.050 1.00 64.14 H new ATOM 0 HD22 LEU B 36 -2.345 -0.339 0.269 1.00 64.14 H new ATOM 0 HD23 LEU B 36 -3.981 -0.485 -0.416 1.00 64.14 H new ATOM 1589 N ARG B 37 -6.153 -0.581 4.316 1.00 74.21 N ATOM 1590 CA ARG B 37 -6.478 -1.142 5.653 1.00 4.53 C ATOM 1591 C ARG B 37 -7.534 -2.278 5.610 1.00 73.43 C ATOM 1592 O ARG B 37 -7.724 -2.978 6.608 1.00 24.12 O ATOM 1593 CB ARG B 37 -6.919 -0.024 6.635 1.00 25.13 C ATOM 1594 CG ARG B 37 -5.759 0.901 7.086 1.00 51.02 C ATOM 1595 CD ARG B 37 -6.109 1.794 8.294 1.00 33.25 C ATOM 1596 NE ARG B 37 -7.117 2.824 7.986 1.00 75.34 N ATOM 1597 CZ ARG B 37 -7.238 3.976 8.620 1.00 3.42 C ATOM 1598 NH1 ARG B 37 -6.441 4.309 9.585 1.00 50.23 N ATOM 1599 NH2 ARG B 37 -8.165 4.795 8.278 1.00 13.23 N ATOM 0 H ARG B 37 -6.444 0.389 4.192 1.00 74.21 H new ATOM 0 HA ARG B 37 -5.556 -1.594 6.017 1.00 4.53 H new ATOM 0 HB2 ARG B 37 -7.691 0.581 6.160 1.00 25.13 H new ATOM 0 HB3 ARG B 37 -7.370 -0.482 7.515 1.00 25.13 H new ATOM 0 HG2 ARG B 37 -4.894 0.287 7.338 1.00 51.02 H new ATOM 0 HG3 ARG B 37 -5.466 1.536 6.249 1.00 51.02 H new ATOM 0 HD2 ARG B 37 -6.477 1.167 9.106 1.00 33.25 H new ATOM 0 HD3 ARG B 37 -5.202 2.280 8.653 1.00 33.25 H new ATOM 0 HE ARG B 37 -7.770 2.633 7.226 1.00 75.34 H new ATOM 0 HH11 ARG B 37 -5.696 3.675 9.873 1.00 50.23 H new ATOM 0 HH12 ARG B 37 -6.558 5.206 10.057 1.00 50.23 H new ATOM 0 HH21 ARG B 37 -8.804 4.555 7.520 1.00 13.23 H new ATOM 0 HH22 ARG B 37 -8.263 5.686 8.764 1.00 13.23 H new ATOM 1613 N GLU B 38 -8.214 -2.461 4.459 1.00 65.30 N ATOM 1614 CA GLU B 38 -9.153 -3.592 4.265 1.00 75.44 C ATOM 1615 C GLU B 38 -8.415 -4.841 3.732 1.00 55.43 C ATOM 1616 O GLU B 38 -8.826 -5.979 3.987 1.00 73.32 O ATOM 1617 CB GLU B 38 -10.303 -3.194 3.298 1.00 51.23 C ATOM 1618 CG GLU B 38 -11.291 -2.151 3.861 1.00 75.14 C ATOM 1619 CD GLU B 38 -12.037 -2.631 5.125 1.00 22.21 C ATOM 1620 OE1 GLU B 38 -13.081 -3.300 4.991 1.00 52.55 O ATOM 1621 OE2 GLU B 38 -11.580 -2.348 6.255 1.00 21.32 O ATOM 0 H GLU B 38 -8.133 -1.844 3.651 1.00 65.30 H new ATOM 0 HA GLU B 38 -9.584 -3.837 5.236 1.00 75.44 H new ATOM 0 HB2 GLU B 38 -9.867 -2.802 2.379 1.00 51.23 H new ATOM 0 HB3 GLU B 38 -10.859 -4.092 3.028 1.00 51.23 H new ATOM 0 HG2 GLU B 38 -10.747 -1.236 4.095 1.00 75.14 H new ATOM 0 HG3 GLU B 38 -12.021 -1.900 3.091 1.00 75.14 H new ATOM 1628 N LEU B 39 -7.331 -4.603 2.984 1.00 54.13 N ATOM 1629 CA LEU B 39 -6.512 -5.657 2.346 1.00 31.14 C ATOM 1630 C LEU B 39 -5.271 -6.042 3.186 1.00 3.45 C ATOM 1631 O LEU B 39 -4.547 -6.979 2.825 1.00 53.31 O ATOM 1632 CB LEU B 39 -6.090 -5.178 0.934 1.00 53.21 C ATOM 1633 CG LEU B 39 -7.242 -5.060 -0.120 1.00 34.13 C ATOM 1634 CD1 LEU B 39 -6.720 -4.486 -1.456 1.00 54.13 C ATOM 1635 CD2 LEU B 39 -7.951 -6.428 -0.329 1.00 11.14 C ATOM 0 H LEU B 39 -6.988 -3.661 2.798 1.00 54.13 H new ATOM 0 HA LEU B 39 -7.120 -6.559 2.273 1.00 31.14 H new ATOM 0 HB2 LEU B 39 -5.610 -4.204 1.030 1.00 53.21 H new ATOM 0 HB3 LEU B 39 -5.339 -5.867 0.547 1.00 53.21 H new ATOM 0 HG LEU B 39 -7.982 -4.361 0.270 1.00 34.13 H new ATOM 0 HD11 LEU B 39 -7.542 -4.416 -2.168 1.00 54.13 H new ATOM 0 HD12 LEU B 39 -6.301 -3.494 -1.287 1.00 54.13 H new ATOM 0 HD13 LEU B 39 -5.948 -5.143 -1.857 1.00 54.13 H new ATOM 0 HD21 LEU B 39 -8.746 -6.317 -1.066 1.00 11.14 H new ATOM 0 HD22 LEU B 39 -7.228 -7.162 -0.684 1.00 11.14 H new ATOM 0 HD23 LEU B 39 -8.377 -6.765 0.616 1.00 11.14 H new ATOM 1647 N VAL B 40 -5.021 -5.323 4.301 1.00 62.14 N ATOM 1648 CA VAL B 40 -3.897 -5.623 5.223 1.00 41.04 C ATOM 1649 C VAL B 40 -4.424 -6.155 6.590 1.00 62.43 C ATOM 1650 O VAL B 40 -4.853 -5.365 7.445 1.00 13.45 O ATOM 1651 CB VAL B 40 -2.977 -4.355 5.442 1.00 63.22 C ATOM 1652 CG1 VAL B 40 -1.779 -4.669 6.374 1.00 1.44 C ATOM 1653 CG2 VAL B 40 -2.487 -3.790 4.087 1.00 63.35 C ATOM 0 H VAL B 40 -5.586 -4.524 4.589 1.00 62.14 H new ATOM 0 HA VAL B 40 -3.293 -6.402 4.759 1.00 41.04 H new ATOM 0 HB VAL B 40 -3.582 -3.593 5.934 1.00 63.22 H new ATOM 0 HG11 VAL B 40 -1.171 -3.773 6.500 1.00 1.44 H new ATOM 0 HG12 VAL B 40 -2.150 -4.995 7.346 1.00 1.44 H new ATOM 0 HG13 VAL B 40 -1.173 -5.460 5.933 1.00 1.44 H new ATOM 0 HG21 VAL B 40 -1.856 -2.919 4.263 1.00 63.35 H new ATOM 0 HG22 VAL B 40 -1.913 -4.553 3.561 1.00 63.35 H new ATOM 0 HG23 VAL B 40 -3.346 -3.500 3.482 1.00 63.35 H new ATOM 1663 N PRO B 41 -4.448 -7.518 6.797 1.00 51.40 N ATOM 1664 CA PRO B 41 -4.732 -8.135 8.121 1.00 22.30 C ATOM 1665 C PRO B 41 -3.482 -8.199 9.046 1.00 51.11 C ATOM 1666 O PRO B 41 -3.593 -8.595 10.212 1.00 22.01 O ATOM 1667 CB PRO B 41 -5.209 -9.554 7.729 1.00 15.31 C ATOM 1668 CG PRO B 41 -4.401 -9.879 6.509 1.00 53.21 C ATOM 1669 CD PRO B 41 -4.258 -8.568 5.753 1.00 22.15 C ATOM 0 HA PRO B 41 -5.456 -7.561 8.700 1.00 22.30 H new ATOM 0 HB2 PRO B 41 -5.030 -10.271 8.530 1.00 15.31 H new ATOM 0 HB3 PRO B 41 -6.278 -9.572 7.517 1.00 15.31 H new ATOM 0 HG2 PRO B 41 -3.426 -10.283 6.781 1.00 53.21 H new ATOM 0 HG3 PRO B 41 -4.899 -10.632 5.898 1.00 53.21 H new ATOM 0 HD2 PRO B 41 -3.279 -8.486 5.280 1.00 22.15 H new ATOM 0 HD3 PRO B 41 -5.003 -8.482 4.962 1.00 22.15 H new ATOM 1677 N GLY B 42 -2.297 -7.808 8.507 1.00 43.50 N ATOM 1678 CA GLY B 42 -1.037 -7.767 9.275 1.00 11.05 C ATOM 1679 C GLY B 42 -0.878 -6.472 10.090 1.00 30.30 C ATOM 1680 O GLY B 42 0.155 -5.797 10.014 1.00 43.42 O ATOM 0 H GLY B 42 -2.195 -7.516 7.535 1.00 43.50 H new ATOM 0 HA2 GLY B 42 -1.000 -8.622 9.950 1.00 11.05 H new ATOM 0 HA3 GLY B 42 -0.195 -7.865 8.589 1.00 11.05 H new ATOM 1684 N VAL B 43 -1.936 -6.133 10.856 1.00 25.21 N ATOM 1685 CA VAL B 43 -2.012 -4.919 11.699 1.00 10.52 C ATOM 1686 C VAL B 43 -2.455 -5.314 13.134 1.00 74.45 C ATOM 1687 O VAL B 43 -3.373 -6.137 13.277 1.00 54.13 O ATOM 1688 CB VAL B 43 -3.044 -3.873 11.099 1.00 2.03 C ATOM 1689 CG1 VAL B 43 -3.221 -2.636 12.014 1.00 21.34 C ATOM 1690 CG2 VAL B 43 -2.639 -3.433 9.668 1.00 41.25 C ATOM 0 H VAL B 43 -2.778 -6.706 10.908 1.00 25.21 H new ATOM 0 HA VAL B 43 -1.026 -4.455 11.725 1.00 10.52 H new ATOM 0 HB VAL B 43 -4.005 -4.384 11.043 1.00 2.03 H new ATOM 0 HG11 VAL B 43 -3.936 -1.949 11.562 1.00 21.34 H new ATOM 0 HG12 VAL B 43 -3.590 -2.954 12.989 1.00 21.34 H new ATOM 0 HG13 VAL B 43 -2.262 -2.133 12.136 1.00 21.34 H new ATOM 0 HG21 VAL B 43 -3.367 -2.717 9.288 1.00 41.25 H new ATOM 0 HG22 VAL B 43 -1.653 -2.968 9.695 1.00 41.25 H new ATOM 0 HG23 VAL B 43 -2.611 -4.304 9.014 1.00 41.25 H new ATOM 1700 N PRO B 44 -1.798 -4.765 14.219 1.00 2.04 N ATOM 1701 CA PRO B 44 -2.292 -4.923 15.618 1.00 45.32 C ATOM 1702 C PRO B 44 -3.730 -4.343 15.774 1.00 71.42 C ATOM 1703 O PRO B 44 -3.975 -3.187 15.434 1.00 13.44 O ATOM 1704 CB PRO B 44 -1.243 -4.141 16.471 1.00 20.23 C ATOM 1705 CG PRO B 44 -0.542 -3.235 15.494 1.00 53.41 C ATOM 1706 CD PRO B 44 -0.527 -3.986 14.180 1.00 12.41 C ATOM 0 HA PRO B 44 -2.377 -5.964 15.928 1.00 45.32 H new ATOM 0 HB2 PRO B 44 -1.726 -3.569 17.263 1.00 20.23 H new ATOM 0 HB3 PRO B 44 -0.540 -4.821 16.953 1.00 20.23 H new ATOM 0 HG2 PRO B 44 -1.066 -2.284 15.396 1.00 53.41 H new ATOM 0 HG3 PRO B 44 0.471 -3.008 15.827 1.00 53.41 H new ATOM 0 HD2 PRO B 44 -0.497 -3.307 13.328 1.00 12.41 H new ATOM 0 HD3 PRO B 44 0.343 -4.638 14.099 1.00 12.41 H new ATOM 1714 N ARG B 45 -4.675 -5.165 16.262 1.00 63.31 N ATOM 1715 CA ARG B 45 -6.120 -4.816 16.298 1.00 43.33 C ATOM 1716 C ARG B 45 -6.419 -3.802 17.426 1.00 43.53 C ATOM 1717 O ARG B 45 -6.005 -4.000 18.572 1.00 0.25 O ATOM 1718 CB ARG B 45 -7.006 -6.097 16.459 1.00 34.32 C ATOM 1719 CG ARG B 45 -6.987 -7.084 15.253 1.00 23.12 C ATOM 1720 CD ARG B 45 -5.665 -7.863 15.112 1.00 72.21 C ATOM 1721 NE ARG B 45 -5.634 -8.685 13.893 1.00 33.53 N ATOM 1722 CZ ARG B 45 -4.727 -9.591 13.607 1.00 45.21 C ATOM 1723 NH1 ARG B 45 -3.761 -9.868 14.424 1.00 41.33 N ATOM 1724 NH2 ARG B 45 -4.800 -10.228 12.486 1.00 5.45 N ATOM 0 H ARG B 45 -4.468 -6.088 16.643 1.00 63.31 H new ATOM 0 HA ARG B 45 -6.370 -4.348 15.346 1.00 43.33 H new ATOM 0 HB2 ARG B 45 -6.679 -6.633 17.350 1.00 34.32 H new ATOM 0 HB3 ARG B 45 -8.036 -5.785 16.634 1.00 34.32 H new ATOM 0 HG2 ARG B 45 -7.807 -7.794 15.363 1.00 23.12 H new ATOM 0 HG3 ARG B 45 -7.169 -6.526 14.335 1.00 23.12 H new ATOM 0 HD2 ARG B 45 -4.831 -7.161 15.097 1.00 72.21 H new ATOM 0 HD3 ARG B 45 -5.527 -8.503 15.984 1.00 72.21 H new ATOM 0 HE ARG B 45 -6.380 -8.539 13.212 1.00 33.53 H new ATOM 0 HH11 ARG B 45 -3.691 -9.378 15.316 1.00 41.33 H new ATOM 0 HH12 ARG B 45 -3.070 -10.576 14.176 1.00 41.33 H new ATOM 0 HH21 ARG B 45 -5.557 -10.026 11.833 1.00 5.45 H new ATOM 0 HH22 ARG B 45 -4.101 -10.934 12.254 1.00 5.45 H new ATOM 1738 N GLY B 46 -7.137 -2.722 17.073 1.00 73.32 N ATOM 1739 CA GLY B 46 -7.485 -1.639 18.012 1.00 35.04 C ATOM 1740 C GLY B 46 -6.395 -0.569 18.158 1.00 54.11 C ATOM 1741 O GLY B 46 -6.364 0.147 19.162 1.00 71.25 O ATOM 0 H GLY B 46 -7.493 -2.574 16.129 1.00 73.32 H new ATOM 0 HA2 GLY B 46 -8.406 -1.162 17.676 1.00 35.04 H new ATOM 0 HA3 GLY B 46 -7.689 -2.072 18.991 1.00 35.04 H new ATOM 1745 N THR B 47 -5.501 -0.454 17.153 1.00 21.34 N ATOM 1746 CA THR B 47 -4.409 0.569 17.141 1.00 24.52 C ATOM 1747 C THR B 47 -4.850 1.848 16.372 1.00 54.24 C ATOM 1748 O THR B 47 -5.963 1.906 15.831 1.00 72.54 O ATOM 1749 CB THR B 47 -3.080 -0.005 16.515 1.00 61.32 C ATOM 1750 OG1 THR B 47 -1.971 0.866 16.803 1.00 1.14 O ATOM 1751 CG2 THR B 47 -3.183 -0.194 14.986 1.00 72.30 C ATOM 0 H THR B 47 -5.507 -1.057 16.330 1.00 21.34 H new ATOM 0 HA THR B 47 -4.209 0.834 18.179 1.00 24.52 H new ATOM 0 HB THR B 47 -2.920 -0.983 16.969 1.00 61.32 H new ATOM 0 HG1 THR B 47 -1.153 0.496 16.410 1.00 1.14 H new ATOM 0 HG21 THR B 47 -2.242 -0.591 14.604 1.00 72.30 H new ATOM 0 HG22 THR B 47 -3.990 -0.891 14.759 1.00 72.30 H new ATOM 0 HG23 THR B 47 -3.390 0.766 14.514 1.00 72.30 H new ATOM 1759 N GLN B 48 -3.973 2.871 16.341 1.00 32.20 N ATOM 1760 CA GLN B 48 -4.228 4.144 15.630 1.00 15.44 C ATOM 1761 C GLN B 48 -3.180 4.348 14.502 1.00 64.24 C ATOM 1762 O GLN B 48 -2.031 4.724 14.765 1.00 61.55 O ATOM 1763 CB GLN B 48 -4.203 5.324 16.647 1.00 63.54 C ATOM 1764 CG GLN B 48 -4.612 6.698 16.073 1.00 21.41 C ATOM 1765 CD GLN B 48 -6.047 6.721 15.532 1.00 52.43 C ATOM 1766 OE1 GLN B 48 -6.292 6.472 14.355 1.00 64.22 O ATOM 1767 NE2 GLN B 48 -7.008 6.985 16.397 1.00 71.53 N ATOM 0 H GLN B 48 -3.067 2.840 16.808 1.00 32.20 H new ATOM 0 HA GLN B 48 -5.214 4.111 15.165 1.00 15.44 H new ATOM 0 HB2 GLN B 48 -4.869 5.082 17.476 1.00 63.54 H new ATOM 0 HB3 GLN B 48 -3.197 5.406 17.059 1.00 63.54 H new ATOM 0 HG2 GLN B 48 -4.511 7.455 16.851 1.00 21.41 H new ATOM 0 HG3 GLN B 48 -3.924 6.970 15.273 1.00 21.41 H new ATOM 0 HE21 GLN B 48 -6.777 7.189 17.369 1.00 71.53 H new ATOM 0 HE22 GLN B 48 -7.982 6.985 16.093 1.00 71.53 H new ATOM 1776 N LEU B 49 -3.585 4.059 13.248 1.00 55.13 N ATOM 1777 CA LEU B 49 -2.724 4.252 12.058 1.00 14.24 C ATOM 1778 C LEU B 49 -2.970 5.627 11.396 1.00 22.15 C ATOM 1779 O LEU B 49 -4.058 5.889 10.858 1.00 51.25 O ATOM 1780 CB LEU B 49 -2.945 3.123 11.008 1.00 43.43 C ATOM 1781 CG LEU B 49 -2.633 1.661 11.467 1.00 54.10 C ATOM 1782 CD1 LEU B 49 -2.849 0.662 10.303 1.00 51.21 C ATOM 1783 CD2 LEU B 49 -1.202 1.537 12.060 1.00 43.42 C ATOM 0 H LEU B 49 -4.510 3.688 13.030 1.00 55.13 H new ATOM 0 HA LEU B 49 -1.692 4.212 12.408 1.00 14.24 H new ATOM 0 HB2 LEU B 49 -3.984 3.162 10.681 1.00 43.43 H new ATOM 0 HB3 LEU B 49 -2.329 3.344 10.137 1.00 43.43 H new ATOM 0 HG LEU B 49 -3.332 1.408 12.264 1.00 54.10 H new ATOM 0 HD11 LEU B 49 -2.626 -0.349 10.645 1.00 51.21 H new ATOM 0 HD12 LEU B 49 -3.885 0.712 9.968 1.00 51.21 H new ATOM 0 HD13 LEU B 49 -2.188 0.919 9.475 1.00 51.21 H new ATOM 0 HD21 LEU B 49 -1.023 0.507 12.367 1.00 43.42 H new ATOM 0 HD22 LEU B 49 -0.469 1.823 11.305 1.00 43.42 H new ATOM 0 HD23 LEU B 49 -1.108 2.195 12.924 1.00 43.42 H new ATOM 1795 N SER B 50 -1.944 6.499 11.456 1.00 20.42 N ATOM 1796 CA SER B 50 -1.883 7.731 10.627 1.00 54.22 C ATOM 1797 C SER B 50 -1.646 7.366 9.139 1.00 34.14 C ATOM 1798 O SER B 50 -1.265 6.241 8.835 1.00 32.43 O ATOM 1799 CB SER B 50 -0.759 8.679 11.127 1.00 40.01 C ATOM 1800 OG SER B 50 -0.638 9.842 10.310 1.00 13.34 O ATOM 0 H SER B 50 -1.140 6.376 12.072 1.00 20.42 H new ATOM 0 HA SER B 50 -2.837 8.250 10.718 1.00 54.22 H new ATOM 0 HB2 SER B 50 -0.967 8.978 12.154 1.00 40.01 H new ATOM 0 HB3 SER B 50 0.190 8.143 11.137 1.00 40.01 H new ATOM 0 HG SER B 50 0.078 10.413 10.658 1.00 13.34 H new ATOM 1806 N GLN B 51 -1.860 8.332 8.230 1.00 62.41 N ATOM 1807 CA GLN B 51 -1.697 8.135 6.758 1.00 61.24 C ATOM 1808 C GLN B 51 -0.278 7.620 6.365 1.00 23.20 C ATOM 1809 O GLN B 51 -0.134 6.828 5.428 1.00 21.32 O ATOM 1810 CB GLN B 51 -2.037 9.457 6.018 1.00 0.40 C ATOM 1811 CG GLN B 51 -1.243 10.691 6.508 1.00 1.23 C ATOM 1812 CD GLN B 51 -1.616 11.991 5.794 1.00 4.42 C ATOM 1813 OE1 GLN B 51 -2.742 12.169 5.341 1.00 70.11 O ATOM 1814 NE2 GLN B 51 -0.686 12.916 5.705 1.00 55.33 N ATOM 0 H GLN B 51 -2.151 9.276 8.483 1.00 62.41 H new ATOM 0 HA GLN B 51 -2.393 7.354 6.451 1.00 61.24 H new ATOM 0 HB2 GLN B 51 -1.850 9.320 4.953 1.00 0.40 H new ATOM 0 HB3 GLN B 51 -3.102 9.658 6.131 1.00 0.40 H new ATOM 0 HG2 GLN B 51 -1.408 10.815 7.578 1.00 1.23 H new ATOM 0 HG3 GLN B 51 -0.178 10.504 6.369 1.00 1.23 H new ATOM 0 HE21 GLN B 51 0.243 12.744 6.090 1.00 55.33 H new ATOM 0 HE22 GLN B 51 -0.893 13.806 5.251 1.00 55.33 H new ATOM 1823 N VAL B 52 0.757 8.067 7.109 1.00 62.23 N ATOM 1824 CA VAL B 52 2.147 7.574 6.942 1.00 34.42 C ATOM 1825 C VAL B 52 2.282 6.120 7.482 1.00 75.32 C ATOM 1826 O VAL B 52 2.878 5.255 6.826 1.00 52.00 O ATOM 1827 CB VAL B 52 3.191 8.514 7.668 1.00 4.10 C ATOM 1828 CG1 VAL B 52 4.642 8.031 7.431 1.00 2.20 C ATOM 1829 CG2 VAL B 52 3.030 9.988 7.215 1.00 41.12 C ATOM 0 H VAL B 52 0.657 8.774 7.837 1.00 62.23 H new ATOM 0 HA VAL B 52 2.367 7.583 5.875 1.00 34.42 H new ATOM 0 HB VAL B 52 2.986 8.462 8.737 1.00 4.10 H new ATOM 0 HG11 VAL B 52 5.336 8.698 7.943 1.00 2.20 H new ATOM 0 HG12 VAL B 52 4.757 7.019 7.821 1.00 2.20 H new ATOM 0 HG13 VAL B 52 4.857 8.035 6.362 1.00 2.20 H new ATOM 0 HG21 VAL B 52 3.762 10.609 7.732 1.00 41.12 H new ATOM 0 HG22 VAL B 52 3.190 10.058 6.139 1.00 41.12 H new ATOM 0 HG23 VAL B 52 2.025 10.335 7.455 1.00 41.12 H new ATOM 1839 N GLU B 53 1.694 5.877 8.678 1.00 20.43 N ATOM 1840 CA GLU B 53 1.697 4.550 9.348 1.00 22.10 C ATOM 1841 C GLU B 53 1.030 3.457 8.481 1.00 5.25 C ATOM 1842 O GLU B 53 1.485 2.321 8.473 1.00 10.44 O ATOM 1843 CB GLU B 53 0.979 4.634 10.728 1.00 15.41 C ATOM 1844 CG GLU B 53 1.638 5.576 11.755 1.00 71.44 C ATOM 1845 CD GLU B 53 3.031 5.093 12.206 1.00 65.14 C ATOM 1846 OE1 GLU B 53 3.106 4.197 13.070 1.00 42.43 O ATOM 1847 OE2 GLU B 53 4.053 5.600 11.699 1.00 64.30 O ATOM 0 H GLU B 53 1.202 6.596 9.208 1.00 20.43 H new ATOM 0 HA GLU B 53 2.740 4.270 9.494 1.00 22.10 H new ATOM 0 HB2 GLU B 53 -0.048 4.961 10.566 1.00 15.41 H new ATOM 0 HB3 GLU B 53 0.931 3.633 11.156 1.00 15.41 H new ATOM 0 HG2 GLU B 53 1.727 6.572 11.322 1.00 71.44 H new ATOM 0 HG3 GLU B 53 0.990 5.665 12.627 1.00 71.44 H new ATOM 1854 N ILE B 54 -0.053 3.826 7.758 1.00 43.41 N ATOM 1855 CA ILE B 54 -0.767 2.921 6.830 1.00 12.13 C ATOM 1856 C ILE B 54 0.194 2.379 5.747 1.00 44.21 C ATOM 1857 O ILE B 54 0.305 1.167 5.575 1.00 33.25 O ATOM 1858 CB ILE B 54 -1.993 3.647 6.143 1.00 53.23 C ATOM 1859 CG1 ILE B 54 -3.066 4.070 7.202 1.00 73.45 C ATOM 1860 CG2 ILE B 54 -2.630 2.774 5.020 1.00 73.13 C ATOM 1861 CD1 ILE B 54 -4.239 4.859 6.636 1.00 33.43 C ATOM 0 H ILE B 54 -0.456 4.762 7.803 1.00 43.41 H new ATOM 0 HA ILE B 54 -1.148 2.087 7.419 1.00 12.13 H new ATOM 0 HB ILE B 54 -1.608 4.551 5.672 1.00 53.23 H new ATOM 0 HG12 ILE B 54 -3.449 3.174 7.689 1.00 73.45 H new ATOM 0 HG13 ILE B 54 -2.580 4.669 7.973 1.00 73.45 H new ATOM 0 HG21 ILE B 54 -3.468 3.309 4.574 1.00 73.13 H new ATOM 0 HG22 ILE B 54 -1.884 2.566 4.253 1.00 73.13 H new ATOM 0 HG23 ILE B 54 -2.984 1.835 5.446 1.00 73.13 H new ATOM 0 HD11 ILE B 54 -4.931 5.109 7.440 1.00 33.43 H new ATOM 0 HD12 ILE B 54 -3.872 5.776 6.175 1.00 33.43 H new ATOM 0 HD13 ILE B 54 -4.755 4.258 5.887 1.00 33.43 H new ATOM 1873 N LEU B 55 0.908 3.305 5.072 1.00 33.04 N ATOM 1874 CA LEU B 55 1.918 2.973 4.035 1.00 32.34 C ATOM 1875 C LEU B 55 2.967 1.962 4.558 1.00 44.30 C ATOM 1876 O LEU B 55 3.324 1.011 3.859 1.00 63.42 O ATOM 1877 CB LEU B 55 2.636 4.265 3.565 1.00 61.34 C ATOM 1878 CG LEU B 55 1.734 5.365 2.923 1.00 1.24 C ATOM 1879 CD1 LEU B 55 2.557 6.628 2.588 1.00 13.43 C ATOM 1880 CD2 LEU B 55 0.998 4.824 1.673 1.00 61.02 C ATOM 0 H LEU B 55 0.803 4.307 5.229 1.00 33.04 H new ATOM 0 HA LEU B 55 1.392 2.513 3.198 1.00 32.34 H new ATOM 0 HB2 LEU B 55 3.150 4.701 4.422 1.00 61.34 H new ATOM 0 HB3 LEU B 55 3.402 3.986 2.842 1.00 61.34 H new ATOM 0 HG LEU B 55 0.976 5.647 3.654 1.00 1.24 H new ATOM 0 HD11 LEU B 55 1.905 7.379 2.142 1.00 13.43 H new ATOM 0 HD12 LEU B 55 2.999 7.027 3.501 1.00 13.43 H new ATOM 0 HD13 LEU B 55 3.349 6.370 1.884 1.00 13.43 H new ATOM 0 HD21 LEU B 55 0.377 5.612 1.247 1.00 61.02 H new ATOM 0 HD22 LEU B 55 1.729 4.498 0.933 1.00 61.02 H new ATOM 0 HD23 LEU B 55 0.369 3.981 1.958 1.00 61.02 H new ATOM 1892 N GLN B 56 3.418 2.189 5.804 1.00 63.33 N ATOM 1893 CA GLN B 56 4.375 1.310 6.504 1.00 32.12 C ATOM 1894 C GLN B 56 3.809 -0.117 6.717 1.00 34.52 C ATOM 1895 O GLN B 56 4.493 -1.086 6.427 1.00 20.34 O ATOM 1896 CB GLN B 56 4.753 1.916 7.872 1.00 42.03 C ATOM 1897 CG GLN B 56 5.454 3.285 7.819 1.00 74.33 C ATOM 1898 CD GLN B 56 5.709 3.880 9.206 1.00 54.34 C ATOM 1899 OE1 GLN B 56 5.887 3.161 10.187 1.00 50.14 O ATOM 1900 NE2 GLN B 56 5.762 5.188 9.298 1.00 72.11 N ATOM 0 H GLN B 56 3.127 2.994 6.359 1.00 63.33 H new ATOM 0 HA GLN B 56 5.259 1.232 5.872 1.00 32.12 H new ATOM 0 HB2 GLN B 56 3.846 2.014 8.469 1.00 42.03 H new ATOM 0 HB3 GLN B 56 5.404 1.214 8.393 1.00 42.03 H new ATOM 0 HG2 GLN B 56 6.404 3.181 7.294 1.00 74.33 H new ATOM 0 HG3 GLN B 56 4.844 3.977 7.239 1.00 74.33 H new ATOM 0 HE21 GLN B 56 5.611 5.764 8.470 1.00 72.11 H new ATOM 0 HE22 GLN B 56 5.954 5.629 10.198 1.00 72.11 H new ATOM 1909 N ARG B 57 2.552 -0.223 7.222 1.00 42.50 N ATOM 1910 CA ARG B 57 1.912 -1.536 7.542 1.00 31.35 C ATOM 1911 C ARG B 57 1.581 -2.338 6.270 1.00 4.51 C ATOM 1912 O ARG B 57 1.465 -3.565 6.321 1.00 70.21 O ATOM 1913 CB ARG B 57 0.630 -1.352 8.404 1.00 13.14 C ATOM 1914 CG ARG B 57 0.829 -0.503 9.673 1.00 41.43 C ATOM 1915 CD ARG B 57 1.961 -1.008 10.592 1.00 74.51 C ATOM 1916 NE ARG B 57 2.461 0.080 11.461 1.00 73.53 N ATOM 1917 CZ ARG B 57 3.668 0.614 11.393 1.00 70.15 C ATOM 1918 NH1 ARG B 57 4.570 0.147 10.588 1.00 24.05 N ATOM 1919 NH2 ARG B 57 3.970 1.618 12.136 1.00 13.51 N ATOM 0 H ARG B 57 1.958 0.583 7.418 1.00 42.50 H new ATOM 0 HA ARG B 57 2.641 -2.103 8.122 1.00 31.35 H new ATOM 0 HB2 ARG B 57 -0.142 -0.889 7.790 1.00 13.14 H new ATOM 0 HB3 ARG B 57 0.259 -2.335 8.694 1.00 13.14 H new ATOM 0 HG2 ARG B 57 1.043 0.525 9.381 1.00 41.43 H new ATOM 0 HG3 ARG B 57 -0.104 -0.486 10.237 1.00 41.43 H new ATOM 0 HD2 ARG B 57 1.596 -1.831 11.207 1.00 74.51 H new ATOM 0 HD3 ARG B 57 2.778 -1.400 9.987 1.00 74.51 H new ATOM 0 HE ARG B 57 1.824 0.447 12.168 1.00 73.53 H new ATOM 0 HH11 ARG B 57 4.355 -0.650 9.989 1.00 24.05 H new ATOM 0 HH12 ARG B 57 5.495 0.576 10.554 1.00 24.05 H new ATOM 0 HH21 ARG B 57 3.278 2.003 12.779 1.00 13.51 H new ATOM 0 HH22 ARG B 57 4.902 2.030 12.083 1.00 13.51 H new ATOM 1933 N VAL B 58 1.409 -1.628 5.144 1.00 24.20 N ATOM 1934 CA VAL B 58 1.290 -2.252 3.819 1.00 12.22 C ATOM 1935 C VAL B 58 2.636 -2.893 3.400 1.00 2.14 C ATOM 1936 O VAL B 58 2.660 -4.022 2.908 1.00 53.13 O ATOM 1937 CB VAL B 58 0.824 -1.216 2.731 1.00 0.43 C ATOM 1938 CG1 VAL B 58 0.800 -1.854 1.331 1.00 42.25 C ATOM 1939 CG2 VAL B 58 -0.557 -0.609 3.080 1.00 3.01 C ATOM 0 H VAL B 58 1.349 -0.610 5.127 1.00 24.20 H new ATOM 0 HA VAL B 58 0.530 -3.030 3.889 1.00 12.22 H new ATOM 0 HB VAL B 58 1.552 -0.405 2.722 1.00 0.43 H new ATOM 0 HG11 VAL B 58 0.474 -1.114 0.600 1.00 42.25 H new ATOM 0 HG12 VAL B 58 1.800 -2.203 1.073 1.00 42.25 H new ATOM 0 HG13 VAL B 58 0.109 -2.697 1.327 1.00 42.25 H new ATOM 0 HG21 VAL B 58 -0.848 0.102 2.307 1.00 3.01 H new ATOM 0 HG22 VAL B 58 -1.300 -1.405 3.139 1.00 3.01 H new ATOM 0 HG23 VAL B 58 -0.497 -0.097 4.040 1.00 3.01 H new ATOM 1949 N ILE B 59 3.748 -2.160 3.606 1.00 42.22 N ATOM 1950 CA ILE B 59 5.115 -2.677 3.349 1.00 44.44 C ATOM 1951 C ILE B 59 5.416 -3.912 4.248 1.00 24.41 C ATOM 1952 O ILE B 59 5.897 -4.932 3.757 1.00 62.21 O ATOM 1953 CB ILE B 59 6.201 -1.553 3.577 1.00 44.01 C ATOM 1954 CG1 ILE B 59 5.958 -0.339 2.618 1.00 22.50 C ATOM 1955 CG2 ILE B 59 7.639 -2.107 3.399 1.00 24.41 C ATOM 1956 CD1 ILE B 59 6.834 0.872 2.885 1.00 42.44 C ATOM 0 H ILE B 59 3.730 -1.201 3.952 1.00 42.22 H new ATOM 0 HA ILE B 59 5.162 -2.988 2.305 1.00 44.44 H new ATOM 0 HB ILE B 59 6.102 -1.206 4.606 1.00 44.01 H new ATOM 0 HG12 ILE B 59 6.120 -0.667 1.591 1.00 22.50 H new ATOM 0 HG13 ILE B 59 4.913 -0.038 2.695 1.00 22.50 H new ATOM 0 HG21 ILE B 59 8.360 -1.306 3.563 1.00 24.41 H new ATOM 0 HG22 ILE B 59 7.813 -2.906 4.120 1.00 24.41 H new ATOM 0 HG23 ILE B 59 7.755 -2.499 2.389 1.00 24.41 H new ATOM 0 HD11 ILE B 59 6.593 1.660 2.171 1.00 42.44 H new ATOM 0 HD12 ILE B 59 6.657 1.233 3.898 1.00 42.44 H new ATOM 0 HD13 ILE B 59 7.882 0.594 2.778 1.00 42.44 H new ATOM 1968 N ASP B 60 5.093 -3.801 5.555 1.00 33.35 N ATOM 1969 CA ASP B 60 5.227 -4.906 6.538 1.00 74.31 C ATOM 1970 C ASP B 60 4.436 -6.159 6.096 1.00 32.14 C ATOM 1971 O ASP B 60 4.924 -7.288 6.209 1.00 70.35 O ATOM 1972 CB ASP B 60 4.726 -4.445 7.940 1.00 43.23 C ATOM 1973 CG ASP B 60 5.526 -3.273 8.537 1.00 54.13 C ATOM 1974 OD1 ASP B 60 6.775 -3.293 8.473 1.00 4.23 O ATOM 1975 OD2 ASP B 60 4.913 -2.338 9.094 1.00 74.10 O ATOM 0 H ASP B 60 4.730 -2.939 5.963 1.00 33.35 H new ATOM 0 HA ASP B 60 6.283 -5.169 6.593 1.00 74.31 H new ATOM 0 HB2 ASP B 60 3.678 -4.154 7.862 1.00 43.23 H new ATOM 0 HB3 ASP B 60 4.772 -5.290 8.627 1.00 43.23 H new ATOM 1980 N TYR B 61 3.208 -5.921 5.602 1.00 25.43 N ATOM 1981 CA TYR B 61 2.319 -6.961 5.044 1.00 71.10 C ATOM 1982 C TYR B 61 2.980 -7.704 3.862 1.00 54.12 C ATOM 1983 O TYR B 61 3.088 -8.930 3.883 1.00 55.23 O ATOM 1984 CB TYR B 61 0.985 -6.301 4.599 1.00 51.23 C ATOM 1985 CG TYR B 61 0.049 -7.195 3.758 1.00 43.43 C ATOM 1986 CD1 TYR B 61 -0.650 -8.249 4.344 1.00 73.44 C ATOM 1987 CD2 TYR B 61 -0.123 -6.983 2.384 1.00 22.24 C ATOM 1988 CE1 TYR B 61 -1.475 -9.059 3.596 1.00 34.12 C ATOM 1989 CE2 TYR B 61 -0.952 -7.792 1.640 1.00 73.01 C ATOM 1990 CZ TYR B 61 -1.627 -8.827 2.247 1.00 4.13 C ATOM 1991 OH TYR B 61 -2.447 -9.645 1.498 1.00 52.52 O ATOM 0 H TYR B 61 2.797 -4.988 5.578 1.00 25.43 H new ATOM 0 HA TYR B 61 2.123 -7.704 5.817 1.00 71.10 H new ATOM 0 HB2 TYR B 61 0.446 -5.977 5.489 1.00 51.23 H new ATOM 0 HB3 TYR B 61 1.217 -5.405 4.023 1.00 51.23 H new ATOM 0 HD1 TYR B 61 -0.543 -8.434 5.403 1.00 73.44 H new ATOM 0 HD2 TYR B 61 0.403 -6.173 1.901 1.00 22.24 H new ATOM 0 HE1 TYR B 61 -2.002 -9.875 4.067 1.00 34.12 H new ATOM 0 HE2 TYR B 61 -1.073 -7.615 0.581 1.00 73.01 H new ATOM 0 HH TYR B 61 -3.170 -9.989 2.063 1.00 52.52 H new ATOM 2001 N ILE B 62 3.417 -6.936 2.842 1.00 33.21 N ATOM 2002 CA ILE B 62 3.987 -7.489 1.594 1.00 24.12 C ATOM 2003 C ILE B 62 5.289 -8.287 1.872 1.00 42.41 C ATOM 2004 O ILE B 62 5.413 -9.426 1.428 1.00 63.53 O ATOM 2005 CB ILE B 62 4.244 -6.353 0.526 1.00 14.34 C ATOM 2006 CG1 ILE B 62 2.907 -5.602 0.170 1.00 15.04 C ATOM 2007 CG2 ILE B 62 4.905 -6.921 -0.760 1.00 31.31 C ATOM 2008 CD1 ILE B 62 3.072 -4.385 -0.734 1.00 11.12 C ATOM 0 H ILE B 62 3.385 -5.917 2.860 1.00 33.21 H new ATOM 0 HA ILE B 62 3.252 -8.179 1.180 1.00 24.12 H new ATOM 0 HB ILE B 62 4.935 -5.637 0.971 1.00 14.34 H new ATOM 0 HG12 ILE B 62 2.230 -6.306 -0.314 1.00 15.04 H new ATOM 0 HG13 ILE B 62 2.428 -5.285 1.097 1.00 15.04 H new ATOM 0 HG21 ILE B 62 5.067 -6.113 -1.473 1.00 31.31 H new ATOM 0 HG22 ILE B 62 5.861 -7.379 -0.506 1.00 31.31 H new ATOM 0 HG23 ILE B 62 4.251 -7.671 -1.205 1.00 31.31 H new ATOM 0 HD11 ILE B 62 2.097 -3.936 -0.922 1.00 11.12 H new ATOM 0 HD12 ILE B 62 3.719 -3.655 -0.247 1.00 11.12 H new ATOM 0 HD13 ILE B 62 3.518 -4.692 -1.680 1.00 11.12 H new ATOM 2020 N LEU B 63 6.222 -7.692 2.642 1.00 35.53 N ATOM 2021 CA LEU B 63 7.509 -8.340 3.018 1.00 1.24 C ATOM 2022 C LEU B 63 7.288 -9.645 3.822 1.00 32.11 C ATOM 2023 O LEU B 63 8.044 -10.606 3.678 1.00 72.33 O ATOM 2024 CB LEU B 63 8.387 -7.362 3.841 1.00 24.54 C ATOM 2025 CG LEU B 63 8.836 -6.048 3.119 1.00 52.13 C ATOM 2026 CD1 LEU B 63 9.687 -5.163 4.064 1.00 23.44 C ATOM 2027 CD2 LEU B 63 9.583 -6.354 1.796 1.00 2.11 C ATOM 0 H LEU B 63 6.112 -6.752 3.023 1.00 35.53 H new ATOM 0 HA LEU B 63 8.021 -8.599 2.091 1.00 1.24 H new ATOM 0 HB2 LEU B 63 7.838 -7.086 4.741 1.00 24.54 H new ATOM 0 HB3 LEU B 63 9.281 -7.896 4.164 1.00 24.54 H new ATOM 0 HG LEU B 63 7.939 -5.487 2.857 1.00 52.13 H new ATOM 0 HD11 LEU B 63 9.987 -4.256 3.540 1.00 23.44 H new ATOM 0 HD12 LEU B 63 9.098 -4.897 4.942 1.00 23.44 H new ATOM 0 HD13 LEU B 63 10.575 -5.713 4.376 1.00 23.44 H new ATOM 0 HD21 LEU B 63 9.880 -5.419 1.321 1.00 2.11 H new ATOM 0 HD22 LEU B 63 10.470 -6.951 2.009 1.00 2.11 H new ATOM 0 HD23 LEU B 63 8.925 -6.908 1.126 1.00 2.11 H new ATOM 2039 N ASP B 64 6.230 -9.653 4.662 1.00 23.42 N ATOM 2040 CA ASP B 64 5.809 -10.844 5.441 1.00 62.21 C ATOM 2041 C ASP B 64 5.376 -12.015 4.510 1.00 14.44 C ATOM 2042 O ASP B 64 5.510 -13.185 4.867 1.00 42.24 O ATOM 2043 CB ASP B 64 4.662 -10.443 6.404 1.00 3.00 C ATOM 2044 CG ASP B 64 4.217 -11.560 7.359 1.00 31.12 C ATOM 2045 OD1 ASP B 64 4.916 -11.812 8.360 1.00 73.03 O ATOM 2046 OD2 ASP B 64 3.171 -12.194 7.112 1.00 41.34 O ATOM 0 H ASP B 64 5.642 -8.835 4.821 1.00 23.42 H new ATOM 0 HA ASP B 64 6.659 -11.202 6.022 1.00 62.21 H new ATOM 0 HB2 ASP B 64 4.982 -9.584 6.993 1.00 3.00 H new ATOM 0 HB3 ASP B 64 3.803 -10.123 5.814 1.00 3.00 H new ATOM 2051 N LEU B 65 4.832 -11.675 3.324 1.00 2.34 N ATOM 2052 CA LEU B 65 4.440 -12.669 2.290 1.00 11.45 C ATOM 2053 C LEU B 65 5.656 -13.125 1.442 1.00 30.25 C ATOM 2054 O LEU B 65 5.740 -14.289 1.034 1.00 11.22 O ATOM 2055 CB LEU B 65 3.362 -12.062 1.356 1.00 43.21 C ATOM 2056 CG LEU B 65 2.105 -11.451 2.054 1.00 73.31 C ATOM 2057 CD1 LEU B 65 1.123 -10.875 1.013 1.00 3.23 C ATOM 2058 CD2 LEU B 65 1.413 -12.472 2.995 1.00 72.31 C ATOM 0 H LEU B 65 4.650 -10.709 3.051 1.00 2.34 H new ATOM 0 HA LEU B 65 4.039 -13.541 2.807 1.00 11.45 H new ATOM 0 HB2 LEU B 65 3.831 -11.284 0.753 1.00 43.21 H new ATOM 0 HB3 LEU B 65 3.028 -12.839 0.669 1.00 43.21 H new ATOM 0 HG LEU B 65 2.444 -10.627 2.682 1.00 73.31 H new ATOM 0 HD11 LEU B 65 0.256 -10.456 1.524 1.00 3.23 H new ATOM 0 HD12 LEU B 65 1.619 -10.093 0.438 1.00 3.23 H new ATOM 0 HD13 LEU B 65 0.799 -11.669 0.340 1.00 3.23 H new ATOM 0 HD21 LEU B 65 0.544 -12.007 3.460 1.00 72.31 H new ATOM 0 HD22 LEU B 65 1.095 -13.341 2.418 1.00 72.31 H new ATOM 0 HD23 LEU B 65 2.114 -12.787 3.768 1.00 72.31 H new ATOM 2070 N GLN B 66 6.570 -12.173 1.169 1.00 13.12 N ATOM 2071 CA GLN B 66 7.750 -12.393 0.296 1.00 10.20 C ATOM 2072 C GLN B 66 8.796 -13.308 0.966 1.00 3.21 C ATOM 2073 O GLN B 66 9.022 -14.440 0.532 1.00 24.21 O ATOM 2074 CB GLN B 66 8.425 -11.032 -0.092 1.00 64.23 C ATOM 2075 CG GLN B 66 7.513 -10.033 -0.834 1.00 11.14 C ATOM 2076 CD GLN B 66 6.971 -10.542 -2.171 1.00 21.34 C ATOM 2077 OE1 GLN B 66 7.614 -11.314 -2.877 1.00 24.31 O ATOM 2078 NE2 GLN B 66 5.779 -10.119 -2.524 1.00 12.21 N ATOM 0 H GLN B 66 6.515 -11.227 1.546 1.00 13.12 H new ATOM 0 HA GLN B 66 7.385 -12.885 -0.606 1.00 10.20 H new ATOM 0 HB2 GLN B 66 8.794 -10.556 0.817 1.00 64.23 H new ATOM 0 HB3 GLN B 66 9.293 -11.241 -0.718 1.00 64.23 H new ATOM 0 HG2 GLN B 66 6.672 -9.779 -0.188 1.00 11.14 H new ATOM 0 HG3 GLN B 66 8.070 -9.112 -1.009 1.00 11.14 H new ATOM 0 HE21 GLN B 66 5.266 -9.478 -1.919 1.00 12.21 H new ATOM 0 HE22 GLN B 66 5.366 -10.432 -3.403 1.00 12.21 H new ATOM 2087 N VAL B 67 9.415 -12.794 2.040 1.00 71.21 N ATOM 2088 CA VAL B 67 10.566 -13.439 2.719 1.00 50.40 C ATOM 2089 C VAL B 67 10.205 -13.892 4.154 1.00 63.42 C ATOM 2090 O VAL B 67 9.304 -13.331 4.795 1.00 3.31 O ATOM 2091 CB VAL B 67 11.811 -12.467 2.758 1.00 53.34 C ATOM 2092 CG1 VAL B 67 12.376 -12.227 1.334 1.00 71.34 C ATOM 2093 CG2 VAL B 67 11.448 -11.121 3.445 1.00 62.02 C ATOM 0 H VAL B 67 9.134 -11.913 2.470 1.00 71.21 H new ATOM 0 HA VAL B 67 10.825 -14.326 2.140 1.00 50.40 H new ATOM 0 HB VAL B 67 12.589 -12.947 3.351 1.00 53.34 H new ATOM 0 HG11 VAL B 67 13.232 -11.555 1.391 1.00 71.34 H new ATOM 0 HG12 VAL B 67 12.689 -13.177 0.902 1.00 71.34 H new ATOM 0 HG13 VAL B 67 11.604 -11.780 0.707 1.00 71.34 H new ATOM 0 HG21 VAL B 67 12.323 -10.471 3.458 1.00 62.02 H new ATOM 0 HG22 VAL B 67 10.644 -10.635 2.892 1.00 62.02 H new ATOM 0 HG23 VAL B 67 11.122 -11.311 4.468 1.00 62.02 H new ATOM 2103 N VAL B 68 10.916 -14.927 4.637 1.00 54.52 N ATOM 2104 CA VAL B 68 10.741 -15.476 6.003 1.00 64.22 C ATOM 2105 C VAL B 68 11.551 -14.674 7.075 1.00 23.25 C ATOM 2106 O VAL B 68 12.693 -14.242 6.792 1.00 38.04 O ATOM 2107 CB VAL B 68 11.097 -17.016 6.060 1.00 3.32 C ATOM 2108 CG1 VAL B 68 10.128 -17.838 5.174 1.00 73.23 C ATOM 2109 CG2 VAL B 68 12.575 -17.295 5.666 1.00 24.41 C ATOM 2110 OXT VAL B 68 11.049 -14.506 8.210 1.00 38.04 O ATOM 0 H VAL B 68 11.631 -15.410 4.093 1.00 54.52 H new ATOM 0 HA VAL B 68 9.685 -15.365 6.249 1.00 64.22 H new ATOM 0 HB VAL B 68 10.977 -17.333 7.096 1.00 3.32 H new ATOM 0 HG11 VAL B 68 10.392 -18.894 5.229 1.00 73.23 H new ATOM 0 HG12 VAL B 68 9.106 -17.701 5.528 1.00 73.23 H new ATOM 0 HG13 VAL B 68 10.203 -17.498 4.141 1.00 73.23 H new ATOM 0 HG21 VAL B 68 12.770 -18.366 5.721 1.00 24.41 H new ATOM 0 HG22 VAL B 68 12.753 -16.945 4.649 1.00 24.41 H new ATOM 0 HG23 VAL B 68 13.240 -16.770 6.352 1.00 24.41 H new