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 33 TYR OH : rot 96:sc= 0.935 USER MOD Set 1.2: B 29 MET CE :methyl -115:sc=-0.00405 (180deg=-1.29) USER MOD Set 1.3: B 33 TYR OH : rot -55:sc= 0.822 USER MOD Single : A 29 MET CE :methyl 164:sc= -0.763 (180deg=-1.07) USER MOD Single : A 30 ASN : amide:sc= -0.866 K(o=-0.87,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0.027) USER MOD Single : A 32 CYS SG : rot 98:sc= 0.245 USER MOD Single : A 34 SER OG : rot 75:sc= 0.59 USER MOD Single : A 47 THR OG1 : rot -160:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 86:sc= 0.204 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.5) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.22 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 31 HIS : no HD1:sc= -0.1 K(o=-0.1,f=-0.66) USER MOD Single : B 32 CYS SG : rot 75:sc= 0.828 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.47) USER MOD Single : B 50 SER OG : rot 180:sc=-0.00331 USER MOD Single : B 51 GLN : amide:sc= -0.78 K(o=-0.78,f=-0.039) USER MOD Single : B 56 GLN : amide:sc= 0.369 K(o=0.37,f=-1.7) USER MOD Single : B 61 TYR OH : rot 30:sc=-0.00585 USER MOD Single : B 66 GLN : amide:sc= -0.701 K(o=-0.7,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 9.656 14.040 4.983 1.00 44.10 N ATOM 372 CA ASP A 27 8.998 13.045 4.094 1.00 32.05 C ATOM 373 C ASP A 27 9.512 11.597 4.290 1.00 72.43 C ATOM 374 O ASP A 27 10.497 11.181 3.686 1.00 24.21 O ATOM 375 CB ASP A 27 9.152 13.477 2.616 1.00 30.00 C ATOM 376 CG ASP A 27 8.406 14.784 2.334 1.00 54.42 C ATOM 377 OD1 ASP A 27 8.999 15.868 2.494 1.00 11.42 O ATOM 378 OD2 ASP A 27 7.208 14.724 1.977 1.00 72.23 O ATOM 0 HA ASP A 27 7.944 13.029 4.373 1.00 32.05 H new ATOM 0 HB2 ASP A 27 10.209 13.602 2.380 1.00 30.00 H new ATOM 0 HB3 ASP A 27 8.771 12.691 1.964 1.00 30.00 H new ATOM 383 N ASP A 28 8.850 10.870 5.198 1.00 44.25 N ATOM 384 CA ASP A 28 8.921 9.398 5.279 1.00 64.31 C ATOM 385 C ASP A 28 7.988 8.786 4.198 1.00 74.43 C ATOM 386 O ASP A 28 8.268 7.716 3.646 1.00 20.03 O ATOM 387 CB ASP A 28 8.496 8.940 6.705 1.00 33.44 C ATOM 388 CG ASP A 28 8.639 7.422 6.932 1.00 21.02 C ATOM 389 OD1 ASP A 28 7.712 6.664 6.597 1.00 35.15 O ATOM 390 OD2 ASP A 28 9.696 6.977 7.424 1.00 51.42 O ATOM 0 H ASP A 28 8.244 11.286 5.905 1.00 44.25 H new ATOM 0 HA ASP A 28 9.940 9.056 5.096 1.00 64.31 H new ATOM 0 HB2 ASP A 28 9.100 9.468 7.443 1.00 33.44 H new ATOM 0 HB3 ASP A 28 7.459 9.229 6.877 1.00 33.44 H new ATOM 395 N MET A 29 6.890 9.528 3.898 1.00 62.55 N ATOM 396 CA MET A 29 5.821 9.107 2.959 1.00 54.34 C ATOM 397 C MET A 29 6.372 8.733 1.568 1.00 31.42 C ATOM 398 O MET A 29 6.083 7.667 1.046 1.00 30.54 O ATOM 399 CB MET A 29 4.773 10.243 2.762 1.00 15.05 C ATOM 400 CG MET A 29 4.221 10.856 4.052 1.00 65.31 C ATOM 401 SD MET A 29 2.579 11.580 3.835 1.00 31.04 S ATOM 402 CE MET A 29 1.615 10.117 3.436 1.00 44.40 C ATOM 0 H MET A 29 6.722 10.447 4.308 1.00 62.55 H new ATOM 0 HA MET A 29 5.359 8.229 3.410 1.00 54.34 H new ATOM 0 HB2 MET A 29 5.228 11.036 2.169 1.00 15.05 H new ATOM 0 HB3 MET A 29 3.939 9.849 2.181 1.00 15.05 H new ATOM 0 HG2 MET A 29 4.175 10.088 4.824 1.00 65.31 H new ATOM 0 HG3 MET A 29 4.908 11.624 4.407 1.00 65.31 H new ATOM 0 HE1 MET A 29 0.554 10.338 3.552 1.00 44.40 H new ATOM 0 HE2 MET A 29 1.814 9.820 2.406 1.00 44.40 H new ATOM 0 HE3 MET A 29 1.892 9.304 4.108 1.00 44.40 H new ATOM 412 N ASN A 30 7.163 9.658 0.997 1.00 73.14 N ATOM 413 CA ASN A 30 7.705 9.553 -0.376 1.00 14.20 C ATOM 414 C ASN A 30 8.720 8.392 -0.531 1.00 25.33 C ATOM 415 O ASN A 30 8.818 7.787 -1.603 1.00 22.22 O ATOM 416 CB ASN A 30 8.321 10.921 -0.775 1.00 24.23 C ATOM 417 CG ASN A 30 7.245 11.983 -1.050 1.00 41.33 C ATOM 418 OD1 ASN A 30 6.756 12.117 -2.162 1.00 12.14 O ATOM 419 ND2 ASN A 30 6.856 12.731 -0.042 1.00 13.53 N ATOM 0 H ASN A 30 7.449 10.510 1.478 1.00 73.14 H new ATOM 0 HA ASN A 30 6.888 9.311 -1.056 1.00 14.20 H new ATOM 0 HB2 ASN A 30 8.977 11.269 0.023 1.00 24.23 H new ATOM 0 HB3 ASN A 30 8.939 10.794 -1.664 1.00 24.23 H new ATOM 0 HD21 ASN A 30 6.134 13.438 -0.180 1.00 13.53 H new ATOM 0 HD22 ASN A 30 7.276 12.604 0.879 1.00 13.53 H new ATOM 426 N HIS A 31 9.454 8.077 0.550 1.00 32.10 N ATOM 427 CA HIS A 31 10.371 6.908 0.586 1.00 42.34 C ATOM 428 C HIS A 31 9.577 5.583 0.638 1.00 11.10 C ATOM 429 O HIS A 31 9.953 4.601 -0.012 1.00 2.24 O ATOM 430 CB HIS A 31 11.328 7.005 1.796 1.00 13.54 C ATOM 431 CG HIS A 31 12.321 8.139 1.714 1.00 2.11 C ATOM 432 ND1 HIS A 31 13.671 7.905 1.577 1.00 12.23 N ATOM 433 CD2 HIS A 31 12.118 9.476 1.778 1.00 53.23 C ATOM 434 CE1 HIS A 31 14.242 9.093 1.567 1.00 41.42 C ATOM 435 NE2 HIS A 31 13.343 10.072 1.685 1.00 53.34 N ATOM 0 H HIS A 31 9.435 8.614 1.417 1.00 32.10 H new ATOM 0 HA HIS A 31 10.962 6.917 -0.330 1.00 42.34 H new ATOM 0 HB2 HIS A 31 10.736 7.121 2.704 1.00 13.54 H new ATOM 0 HB3 HIS A 31 11.874 6.066 1.889 1.00 13.54 H new ATOM 0 HD2 HIS A 31 11.167 9.977 1.883 1.00 53.23 H new ATOM 0 HE1 HIS A 31 15.306 9.254 1.475 1.00 41.42 H new ATOM 0 HE2 HIS A 31 13.534 11.074 1.702 1.00 53.34 H new ATOM 443 N CYS A 32 8.489 5.574 1.439 1.00 72.30 N ATOM 444 CA CYS A 32 7.536 4.438 1.496 1.00 45.54 C ATOM 445 C CYS A 32 6.852 4.206 0.127 1.00 3.22 C ATOM 446 O CYS A 32 6.700 3.069 -0.296 1.00 43.15 O ATOM 447 CB CYS A 32 6.465 4.665 2.591 1.00 72.31 C ATOM 448 SG CYS A 32 7.124 4.700 4.279 1.00 44.33 S ATOM 0 H CYS A 32 8.246 6.346 2.060 1.00 72.30 H new ATOM 0 HA CYS A 32 8.111 3.547 1.748 1.00 45.54 H new ATOM 0 HB2 CYS A 32 5.953 5.607 2.393 1.00 72.31 H new ATOM 0 HB3 CYS A 32 5.717 3.875 2.521 1.00 72.31 H new ATOM 0 HG CYS A 32 7.280 5.934 4.658 1.00 44.33 H new ATOM 454 N TYR A 33 6.464 5.309 -0.551 1.00 52.10 N ATOM 455 CA TYR A 33 5.842 5.278 -1.902 1.00 13.34 C ATOM 456 C TYR A 33 6.790 4.681 -2.962 1.00 34.41 C ATOM 457 O TYR A 33 6.349 3.962 -3.862 1.00 70.43 O ATOM 458 CB TYR A 33 5.392 6.703 -2.336 1.00 53.43 C ATOM 459 CG TYR A 33 4.014 7.128 -1.812 1.00 42.11 C ATOM 460 CD1 TYR A 33 2.905 6.322 -2.041 1.00 12.21 C ATOM 461 CD2 TYR A 33 3.806 8.344 -1.146 1.00 31.23 C ATOM 462 CE1 TYR A 33 1.651 6.697 -1.635 1.00 21.20 C ATOM 463 CE2 TYR A 33 2.543 8.717 -0.723 1.00 73.11 C ATOM 464 CZ TYR A 33 1.468 7.891 -0.975 1.00 32.24 C ATOM 465 OH TYR A 33 0.211 8.263 -0.568 1.00 0.01 O ATOM 0 H TYR A 33 6.572 6.252 -0.178 1.00 52.10 H new ATOM 0 HA TYR A 33 4.967 4.631 -1.834 1.00 13.34 H new ATOM 0 HB2 TYR A 33 6.134 7.424 -1.993 1.00 53.43 H new ATOM 0 HB3 TYR A 33 5.382 6.750 -3.425 1.00 53.43 H new ATOM 0 HD1 TYR A 33 3.035 5.379 -2.551 1.00 12.21 H new ATOM 0 HD2 TYR A 33 4.644 8.999 -0.960 1.00 31.23 H new ATOM 0 HE1 TYR A 33 0.805 6.055 -1.833 1.00 21.20 H new ATOM 0 HE2 TYR A 33 2.400 9.650 -0.198 1.00 73.11 H new ATOM 0 HH TYR A 33 0.081 8.006 0.369 1.00 0.01 H new ATOM 475 N SER A 34 8.083 5.020 -2.856 1.00 25.45 N ATOM 476 CA SER A 34 9.140 4.445 -3.713 1.00 52.11 C ATOM 477 C SER A 34 9.270 2.923 -3.472 1.00 41.21 C ATOM 478 O SER A 34 9.298 2.139 -4.421 1.00 61.12 O ATOM 479 CB SER A 34 10.486 5.156 -3.456 1.00 72.12 C ATOM 480 OG SER A 34 10.394 6.540 -3.767 1.00 21.32 O ATOM 0 H SER A 34 8.429 5.698 -2.177 1.00 25.45 H new ATOM 0 HA SER A 34 8.862 4.600 -4.756 1.00 52.11 H new ATOM 0 HB2 SER A 34 10.774 5.032 -2.412 1.00 72.12 H new ATOM 0 HB3 SER A 34 11.267 4.694 -4.060 1.00 72.12 H new ATOM 0 HG SER A 34 9.888 7.000 -3.065 1.00 21.32 H new ATOM 486 N ARG A 35 9.298 2.537 -2.179 1.00 71.22 N ATOM 487 CA ARG A 35 9.389 1.132 -1.734 1.00 55.15 C ATOM 488 C ARG A 35 8.146 0.301 -2.175 1.00 1.24 C ATOM 489 O ARG A 35 8.253 -0.896 -2.452 1.00 53.42 O ATOM 490 CB ARG A 35 9.586 1.107 -0.193 1.00 31.40 C ATOM 491 CG ARG A 35 10.122 -0.235 0.347 1.00 44.23 C ATOM 492 CD ARG A 35 10.857 -0.102 1.690 1.00 43.20 C ATOM 493 NE ARG A 35 9.962 0.227 2.825 1.00 23.42 N ATOM 494 CZ ARG A 35 10.094 1.250 3.654 1.00 13.13 C ATOM 495 NH1 ARG A 35 10.993 2.155 3.460 1.00 55.43 N ATOM 496 NH2 ARG A 35 9.301 1.362 4.673 1.00 45.44 N ATOM 0 H ARG A 35 9.258 3.201 -1.406 1.00 71.22 H new ATOM 0 HA ARG A 35 10.248 0.660 -2.212 1.00 55.15 H new ATOM 0 HB2 ARG A 35 10.276 1.902 0.088 1.00 31.40 H new ATOM 0 HB3 ARG A 35 8.633 1.327 0.289 1.00 31.40 H new ATOM 0 HG2 ARG A 35 9.290 -0.930 0.464 1.00 44.23 H new ATOM 0 HG3 ARG A 35 10.799 -0.670 -0.388 1.00 44.23 H new ATOM 0 HD2 ARG A 35 11.375 -1.036 1.905 1.00 43.20 H new ATOM 0 HD3 ARG A 35 11.619 0.672 1.603 1.00 43.20 H new ATOM 0 HE ARG A 35 9.169 -0.395 2.982 1.00 23.42 H new ATOM 0 HH11 ARG A 35 11.618 2.089 2.656 1.00 55.43 H new ATOM 0 HH12 ARG A 35 11.079 2.936 4.110 1.00 55.43 H new ATOM 0 HH21 ARG A 35 8.577 0.662 4.835 1.00 45.44 H new ATOM 0 HH22 ARG A 35 9.401 2.150 5.313 1.00 45.44 H new ATOM 510 N LEU A 36 6.972 0.974 -2.254 1.00 63.32 N ATOM 511 CA LEU A 36 5.730 0.388 -2.808 1.00 2.31 C ATOM 512 C LEU A 36 5.901 0.105 -4.315 1.00 0.52 C ATOM 513 O LEU A 36 5.770 -1.027 -4.742 1.00 63.25 O ATOM 514 CB LEU A 36 4.515 1.332 -2.570 1.00 3.55 C ATOM 515 CG LEU A 36 4.086 1.531 -1.079 1.00 65.40 C ATOM 516 CD1 LEU A 36 2.993 2.606 -0.941 1.00 70.33 C ATOM 517 CD2 LEU A 36 3.645 0.192 -0.432 1.00 55.11 C ATOM 0 H LEU A 36 6.861 1.937 -1.936 1.00 63.32 H new ATOM 0 HA LEU A 36 5.536 -0.552 -2.292 1.00 2.31 H new ATOM 0 HB2 LEU A 36 4.750 2.308 -2.994 1.00 3.55 H new ATOM 0 HB3 LEU A 36 3.662 0.941 -3.124 1.00 3.55 H new ATOM 0 HG LEU A 36 4.962 1.886 -0.536 1.00 65.40 H new ATOM 0 HD11 LEU A 36 2.721 2.716 0.109 1.00 70.33 H new ATOM 0 HD12 LEU A 36 3.368 3.557 -1.320 1.00 70.33 H new ATOM 0 HD13 LEU A 36 2.115 2.308 -1.514 1.00 70.33 H new ATOM 0 HD21 LEU A 36 3.354 0.367 0.604 1.00 55.11 H new ATOM 0 HD22 LEU A 36 2.798 -0.217 -0.983 1.00 55.11 H new ATOM 0 HD23 LEU A 36 4.473 -0.516 -0.461 1.00 55.11 H new ATOM 529 N ARG A 37 6.264 1.152 -5.091 1.00 61.44 N ATOM 530 CA ARG A 37 6.480 1.066 -6.570 1.00 11.04 C ATOM 531 C ARG A 37 7.490 -0.047 -6.992 1.00 3.53 C ATOM 532 O ARG A 37 7.434 -0.560 -8.116 1.00 65.23 O ATOM 533 CB ARG A 37 6.945 2.436 -7.111 1.00 25.13 C ATOM 534 CG ARG A 37 5.822 3.496 -7.122 1.00 32.41 C ATOM 535 CD ARG A 37 6.308 4.871 -7.572 1.00 52.21 C ATOM 536 NE ARG A 37 6.921 4.850 -8.914 1.00 12.23 N ATOM 537 CZ ARG A 37 7.363 5.904 -9.571 1.00 40.32 C ATOM 538 NH1 ARG A 37 7.298 7.101 -9.065 1.00 1.54 N ATOM 539 NH2 ARG A 37 7.888 5.744 -10.736 1.00 33.51 N ATOM 0 H ARG A 37 6.418 2.088 -4.716 1.00 61.44 H new ATOM 0 HA ARG A 37 5.521 0.790 -7.008 1.00 11.04 H new ATOM 0 HB2 ARG A 37 7.773 2.799 -6.501 1.00 25.13 H new ATOM 0 HB3 ARG A 37 7.327 2.309 -8.124 1.00 25.13 H new ATOM 0 HG2 ARG A 37 5.022 3.164 -7.784 1.00 32.41 H new ATOM 0 HG3 ARG A 37 5.395 3.576 -6.122 1.00 32.41 H new ATOM 0 HD2 ARG A 37 5.468 5.566 -7.572 1.00 52.21 H new ATOM 0 HD3 ARG A 37 7.034 5.248 -6.852 1.00 52.21 H new ATOM 0 HE ARG A 37 7.010 3.943 -9.372 1.00 12.23 H new ATOM 0 HH11 ARG A 37 6.897 7.242 -8.138 1.00 1.54 H new ATOM 0 HH12 ARG A 37 7.648 7.899 -9.596 1.00 1.54 H new ATOM 0 HH21 ARG A 37 7.958 4.810 -11.140 1.00 33.51 H new ATOM 0 HH22 ARG A 37 8.234 6.551 -11.255 1.00 33.51 H new ATOM 553 N GLU A 38 8.389 -0.408 -6.062 1.00 12.40 N ATOM 554 CA GLU A 38 9.422 -1.452 -6.275 1.00 34.55 C ATOM 555 C GLU A 38 8.842 -2.870 -6.047 1.00 14.55 C ATOM 556 O GLU A 38 9.268 -3.831 -6.691 1.00 64.20 O ATOM 557 CB GLU A 38 10.621 -1.195 -5.323 1.00 40.12 C ATOM 558 CG GLU A 38 11.421 0.093 -5.634 1.00 21.13 C ATOM 559 CD GLU A 38 12.482 0.422 -4.569 1.00 34.23 C ATOM 560 OE1 GLU A 38 13.478 -0.324 -4.460 1.00 23.52 O ATOM 561 OE2 GLU A 38 12.327 1.420 -3.832 1.00 53.44 O ATOM 0 H GLU A 38 8.425 0.014 -5.134 1.00 12.40 H new ATOM 0 HA GLU A 38 9.763 -1.399 -7.309 1.00 34.55 H new ATOM 0 HB2 GLU A 38 10.251 -1.140 -4.299 1.00 40.12 H new ATOM 0 HB3 GLU A 38 11.297 -2.049 -5.372 1.00 40.12 H new ATOM 0 HG2 GLU A 38 11.910 -0.016 -6.602 1.00 21.13 H new ATOM 0 HG3 GLU A 38 10.729 0.931 -5.719 1.00 21.13 H new ATOM 568 N LEU A 39 7.871 -2.978 -5.118 1.00 62.43 N ATOM 569 CA LEU A 39 7.197 -4.261 -4.773 1.00 30.23 C ATOM 570 C LEU A 39 5.863 -4.455 -5.545 1.00 51.34 C ATOM 571 O LEU A 39 5.302 -5.552 -5.544 1.00 23.13 O ATOM 572 CB LEU A 39 6.950 -4.324 -3.239 1.00 70.25 C ATOM 573 CG LEU A 39 8.228 -4.209 -2.338 1.00 74.44 C ATOM 574 CD1 LEU A 39 7.861 -4.182 -0.834 1.00 12.41 C ATOM 575 CD2 LEU A 39 9.245 -5.340 -2.651 1.00 4.42 C ATOM 0 H LEU A 39 7.527 -2.182 -4.581 1.00 62.43 H new ATOM 0 HA LEU A 39 7.857 -5.074 -5.074 1.00 30.23 H new ATOM 0 HB2 LEU A 39 6.263 -3.522 -2.967 1.00 70.25 H new ATOM 0 HB3 LEU A 39 6.449 -5.264 -3.009 1.00 70.25 H new ATOM 0 HG LEU A 39 8.709 -3.260 -2.574 1.00 74.44 H new ATOM 0 HD11 LEU A 39 8.771 -4.102 -0.239 1.00 12.41 H new ATOM 0 HD12 LEU A 39 7.218 -3.325 -0.632 1.00 12.41 H new ATOM 0 HD13 LEU A 39 7.335 -5.100 -0.571 1.00 12.41 H new ATOM 0 HD21 LEU A 39 10.119 -5.231 -2.009 1.00 4.42 H new ATOM 0 HD22 LEU A 39 8.779 -6.309 -2.469 1.00 4.42 H new ATOM 0 HD23 LEU A 39 9.551 -5.275 -3.695 1.00 4.42 H new ATOM 587 N VAL A 40 5.363 -3.380 -6.194 1.00 53.23 N ATOM 588 CA VAL A 40 4.089 -3.395 -6.966 1.00 71.02 C ATOM 589 C VAL A 40 4.359 -3.520 -8.496 1.00 40.22 C ATOM 590 O VAL A 40 4.824 -2.556 -9.121 1.00 61.54 O ATOM 591 CB VAL A 40 3.225 -2.096 -6.687 1.00 12.54 C ATOM 592 CG1 VAL A 40 1.938 -2.061 -7.548 1.00 43.35 C ATOM 593 CG2 VAL A 40 2.881 -1.969 -5.180 1.00 1.41 C ATOM 0 H VAL A 40 5.829 -2.473 -6.200 1.00 53.23 H new ATOM 0 HA VAL A 40 3.527 -4.267 -6.632 1.00 71.02 H new ATOM 0 HB VAL A 40 3.834 -1.239 -6.974 1.00 12.54 H new ATOM 0 HG11 VAL A 40 1.376 -1.154 -7.325 1.00 43.35 H new ATOM 0 HG12 VAL A 40 2.207 -2.071 -8.604 1.00 43.35 H new ATOM 0 HG13 VAL A 40 1.325 -2.933 -7.321 1.00 43.35 H new ATOM 0 HG21 VAL A 40 2.288 -1.069 -5.017 1.00 1.41 H new ATOM 0 HG22 VAL A 40 2.311 -2.842 -4.862 1.00 1.41 H new ATOM 0 HG23 VAL A 40 3.802 -1.906 -4.601 1.00 1.41 H new ATOM 603 N PRO A 41 4.096 -4.717 -9.127 1.00 10.54 N ATOM 604 CA PRO A 41 4.183 -4.887 -10.604 1.00 3.03 C ATOM 605 C PRO A 41 2.981 -4.256 -11.362 1.00 12.32 C ATOM 606 O PRO A 41 2.948 -4.279 -12.588 1.00 43.20 O ATOM 607 CB PRO A 41 4.226 -6.428 -10.776 1.00 62.02 C ATOM 608 CG PRO A 41 3.439 -6.946 -9.611 1.00 22.32 C ATOM 609 CD PRO A 41 3.735 -6.001 -8.459 1.00 4.55 C ATOM 0 HA PRO A 41 5.048 -4.377 -11.028 1.00 3.03 H new ATOM 0 HB2 PRO A 41 3.785 -6.736 -11.724 1.00 62.02 H new ATOM 0 HB3 PRO A 41 5.250 -6.802 -10.764 1.00 62.02 H new ATOM 0 HG2 PRO A 41 2.373 -6.965 -9.837 1.00 22.32 H new ATOM 0 HG3 PRO A 41 3.731 -7.967 -9.364 1.00 22.32 H new ATOM 0 HD2 PRO A 41 2.869 -5.882 -7.808 1.00 4.55 H new ATOM 0 HD3 PRO A 41 4.551 -6.371 -7.839 1.00 4.55 H new ATOM 617 N GLY A 42 1.998 -3.711 -10.607 1.00 24.34 N ATOM 618 CA GLY A 42 0.871 -2.950 -11.178 1.00 43.30 C ATOM 619 C GLY A 42 1.284 -1.617 -11.804 1.00 5.40 C ATOM 620 O GLY A 42 0.547 -1.070 -12.631 1.00 1.22 O ATOM 0 H GLY A 42 1.967 -3.788 -9.590 1.00 24.34 H new ATOM 0 HA2 GLY A 42 0.379 -3.560 -11.935 1.00 43.30 H new ATOM 0 HA3 GLY A 42 0.137 -2.761 -10.394 1.00 43.30 H new ATOM 624 N VAL A 43 2.460 -1.094 -11.396 1.00 2.52 N ATOM 625 CA VAL A 43 3.069 0.118 -11.990 1.00 2.40 C ATOM 626 C VAL A 43 3.654 -0.210 -13.405 1.00 20.41 C ATOM 627 O VAL A 43 4.657 -0.929 -13.498 1.00 71.54 O ATOM 628 CB VAL A 43 4.203 0.705 -11.053 1.00 75.34 C ATOM 629 CG1 VAL A 43 4.857 1.977 -11.659 1.00 73.14 C ATOM 630 CG2 VAL A 43 3.653 0.983 -9.626 1.00 51.23 C ATOM 0 H VAL A 43 3.016 -1.501 -10.644 1.00 2.52 H new ATOM 0 HA VAL A 43 2.290 0.873 -12.092 1.00 2.40 H new ATOM 0 HB VAL A 43 4.985 -0.051 -10.976 1.00 75.34 H new ATOM 0 HG11 VAL A 43 5.629 2.346 -10.984 1.00 73.14 H new ATOM 0 HG12 VAL A 43 5.304 1.732 -12.622 1.00 73.14 H new ATOM 0 HG13 VAL A 43 4.097 2.746 -11.797 1.00 73.14 H new ATOM 0 HG21 VAL A 43 4.450 1.386 -9.001 1.00 51.23 H new ATOM 0 HG22 VAL A 43 2.838 1.705 -9.684 1.00 51.23 H new ATOM 0 HG23 VAL A 43 3.285 0.054 -9.191 1.00 51.23 H new ATOM 640 N PRO A 44 3.039 0.314 -14.529 1.00 72.23 N ATOM 641 CA PRO A 44 3.463 -0.006 -15.937 1.00 31.05 C ATOM 642 C PRO A 44 4.882 0.484 -16.360 1.00 24.45 C ATOM 643 O PRO A 44 5.264 0.286 -17.519 1.00 64.03 O ATOM 644 CB PRO A 44 2.370 0.679 -16.813 1.00 60.23 C ATOM 645 CG PRO A 44 1.223 0.926 -15.880 1.00 24.31 C ATOM 646 CD PRO A 44 1.844 1.199 -14.529 1.00 4.40 C ATOM 0 HA PRO A 44 3.545 -1.087 -16.052 1.00 31.05 H new ATOM 0 HB2 PRO A 44 2.736 1.611 -17.244 1.00 60.23 H new ATOM 0 HB3 PRO A 44 2.072 0.039 -17.644 1.00 60.23 H new ATOM 0 HG2 PRO A 44 0.623 1.773 -16.213 1.00 24.31 H new ATOM 0 HG3 PRO A 44 0.560 0.062 -15.838 1.00 24.31 H new ATOM 0 HD2 PRO A 44 2.118 2.248 -14.415 1.00 4.40 H new ATOM 0 HD3 PRO A 44 1.162 0.957 -13.714 1.00 4.40 H new ATOM 654 N ARG A 45 5.638 1.112 -15.423 1.00 1.15 N ATOM 655 CA ARG A 45 7.005 1.678 -15.651 1.00 32.35 C ATOM 656 C ARG A 45 6.960 2.935 -16.563 1.00 34.35 C ATOM 657 O ARG A 45 6.437 2.882 -17.682 1.00 2.43 O ATOM 658 CB ARG A 45 8.004 0.622 -16.224 1.00 70.42 C ATOM 659 CG ARG A 45 8.121 -0.684 -15.404 1.00 3.30 C ATOM 660 CD ARG A 45 8.580 -0.462 -13.952 1.00 31.02 C ATOM 661 NE ARG A 45 8.634 -1.731 -13.207 1.00 13.23 N ATOM 662 CZ ARG A 45 9.142 -1.896 -12.005 1.00 21.13 C ATOM 663 NH1 ARG A 45 9.697 -0.926 -11.351 1.00 51.54 N ATOM 664 NH2 ARG A 45 9.104 -3.057 -11.464 1.00 41.12 N ATOM 0 H ARG A 45 5.313 1.245 -14.465 1.00 1.15 H new ATOM 0 HA ARG A 45 7.375 1.978 -14.671 1.00 32.35 H new ATOM 0 HB2 ARG A 45 7.698 0.369 -17.239 1.00 70.42 H new ATOM 0 HB3 ARG A 45 8.991 1.079 -16.293 1.00 70.42 H new ATOM 0 HG2 ARG A 45 7.154 -1.187 -15.397 1.00 3.30 H new ATOM 0 HG3 ARG A 45 8.824 -1.353 -15.900 1.00 3.30 H new ATOM 0 HD2 ARG A 45 9.564 0.007 -13.947 1.00 31.02 H new ATOM 0 HD3 ARG A 45 7.897 0.226 -13.454 1.00 31.02 H new ATOM 0 HE ARG A 45 8.243 -2.555 -13.663 1.00 13.23 H new ATOM 0 HH11 ARG A 45 9.751 0.004 -11.766 1.00 51.54 H new ATOM 0 HH12 ARG A 45 10.080 -1.092 -10.420 1.00 51.54 H new ATOM 0 HH21 ARG A 45 8.683 -3.840 -11.965 1.00 41.12 H new ATOM 0 HH22 ARG A 45 9.494 -3.199 -10.532 1.00 41.12 H new ATOM 678 N GLY A 46 7.529 4.059 -16.080 1.00 4.14 N ATOM 679 CA GLY A 46 7.373 5.365 -16.744 1.00 51.22 C ATOM 680 C GLY A 46 5.997 5.972 -16.437 1.00 40.43 C ATOM 681 O GLY A 46 5.906 6.899 -15.639 1.00 34.04 O ATOM 0 H GLY A 46 8.099 4.086 -15.234 1.00 4.14 H new ATOM 0 HA2 GLY A 46 8.158 6.044 -16.410 1.00 51.22 H new ATOM 0 HA3 GLY A 46 7.491 5.247 -17.821 1.00 51.22 H new ATOM 685 N THR A 47 4.962 5.400 -17.114 1.00 13.10 N ATOM 686 CA THR A 47 3.480 5.509 -16.834 1.00 20.30 C ATOM 687 C THR A 47 2.866 6.929 -16.579 1.00 60.41 C ATOM 688 O THR A 47 1.948 7.322 -17.305 1.00 55.44 O ATOM 689 CB THR A 47 2.993 4.503 -15.708 1.00 22.55 C ATOM 690 OG1 THR A 47 1.568 4.634 -15.483 1.00 3.22 O ATOM 691 CG2 THR A 47 3.716 4.663 -14.356 1.00 44.10 C ATOM 0 H THR A 47 5.140 4.809 -17.926 1.00 13.10 H new ATOM 0 HA THR A 47 3.081 5.226 -17.808 1.00 20.30 H new ATOM 0 HB THR A 47 3.241 3.514 -16.093 1.00 22.55 H new ATOM 0 HG1 THR A 47 1.340 4.263 -14.605 1.00 3.22 H new ATOM 0 HG21 THR A 47 3.322 3.937 -13.645 1.00 44.10 H new ATOM 0 HG22 THR A 47 4.784 4.494 -14.492 1.00 44.10 H new ATOM 0 HG23 THR A 47 3.554 5.671 -13.974 1.00 44.10 H new ATOM 699 N GLN A 48 3.343 7.631 -15.517 1.00 1.40 N ATOM 700 CA GLN A 48 2.789 8.893 -14.955 1.00 70.25 C ATOM 701 C GLN A 48 1.691 8.557 -13.917 1.00 63.21 C ATOM 702 O GLN A 48 0.523 8.356 -14.255 1.00 13.00 O ATOM 703 CB GLN A 48 2.283 9.915 -16.027 1.00 25.11 C ATOM 704 CG GLN A 48 1.841 11.286 -15.471 1.00 34.14 C ATOM 705 CD GLN A 48 1.213 12.195 -16.536 1.00 71.00 C ATOM 706 OE1 GLN A 48 1.894 12.977 -17.193 1.00 53.22 O ATOM 707 NE2 GLN A 48 -0.093 12.101 -16.717 1.00 22.22 N ATOM 0 H GLN A 48 4.166 7.316 -15.003 1.00 1.40 H new ATOM 0 HA GLN A 48 3.615 9.408 -14.465 1.00 70.25 H new ATOM 0 HB2 GLN A 48 3.077 10.075 -16.756 1.00 25.11 H new ATOM 0 HB3 GLN A 48 1.444 9.470 -16.562 1.00 25.11 H new ATOM 0 HG2 GLN A 48 1.123 11.130 -14.666 1.00 34.14 H new ATOM 0 HG3 GLN A 48 2.704 11.790 -15.035 1.00 34.14 H new ATOM 0 HE21 GLN A 48 -0.639 11.444 -16.160 1.00 22.22 H new ATOM 0 HE22 GLN A 48 -0.555 12.685 -17.414 1.00 22.22 H new ATOM 716 N LEU A 49 2.123 8.418 -12.650 1.00 42.42 N ATOM 717 CA LEU A 49 1.244 8.152 -11.487 1.00 55.31 C ATOM 718 C LEU A 49 1.540 9.176 -10.373 1.00 53.12 C ATOM 719 O LEU A 49 2.699 9.348 -9.982 1.00 12.05 O ATOM 720 CB LEU A 49 1.475 6.713 -10.933 1.00 1.42 C ATOM 721 CG LEU A 49 1.137 5.535 -11.897 1.00 22.50 C ATOM 722 CD1 LEU A 49 1.589 4.177 -11.310 1.00 15.04 C ATOM 723 CD2 LEU A 49 -0.370 5.512 -12.261 1.00 72.34 C ATOM 0 H LEU A 49 3.109 8.488 -12.397 1.00 42.42 H new ATOM 0 HA LEU A 49 0.207 8.240 -11.812 1.00 55.31 H new ATOM 0 HB2 LEU A 49 2.521 6.624 -10.639 1.00 1.42 H new ATOM 0 HB3 LEU A 49 0.879 6.596 -10.028 1.00 1.42 H new ATOM 0 HG LEU A 49 1.696 5.701 -12.818 1.00 22.50 H new ATOM 0 HD11 LEU A 49 1.338 3.378 -12.007 1.00 15.04 H new ATOM 0 HD12 LEU A 49 2.667 4.192 -11.147 1.00 15.04 H new ATOM 0 HD13 LEU A 49 1.081 4.004 -10.361 1.00 15.04 H new ATOM 0 HD21 LEU A 49 -0.569 4.678 -12.934 1.00 72.34 H new ATOM 0 HD22 LEU A 49 -0.962 5.395 -11.353 1.00 72.34 H new ATOM 0 HD23 LEU A 49 -0.640 6.447 -12.752 1.00 72.34 H new ATOM 735 N SER A 50 0.498 9.849 -9.874 1.00 50.10 N ATOM 736 CA SER A 50 0.611 10.799 -8.735 1.00 13.20 C ATOM 737 C SER A 50 0.500 10.058 -7.376 1.00 22.31 C ATOM 738 O SER A 50 0.301 8.846 -7.358 1.00 64.50 O ATOM 739 CB SER A 50 -0.487 11.876 -8.862 1.00 24.44 C ATOM 740 OG SER A 50 -0.416 12.538 -10.115 1.00 1.34 O ATOM 0 H SER A 50 -0.450 9.759 -10.239 1.00 50.10 H new ATOM 0 HA SER A 50 1.591 11.276 -8.767 1.00 13.20 H new ATOM 0 HB2 SER A 50 -1.468 11.414 -8.747 1.00 24.44 H new ATOM 0 HB3 SER A 50 -0.381 12.603 -8.057 1.00 24.44 H new ATOM 0 HG SER A 50 -0.918 12.027 -10.784 1.00 1.34 H new ATOM 746 N GLN A 51 0.622 10.803 -6.250 1.00 34.10 N ATOM 747 CA GLN A 51 0.541 10.248 -4.856 1.00 51.23 C ATOM 748 C GLN A 51 -0.701 9.334 -4.636 1.00 54.54 C ATOM 749 O GLN A 51 -0.598 8.240 -4.064 1.00 63.22 O ATOM 750 CB GLN A 51 0.502 11.424 -3.830 1.00 40.33 C ATOM 751 CG GLN A 51 1.774 12.294 -3.773 1.00 33.23 C ATOM 752 CD GLN A 51 2.942 11.604 -3.055 1.00 75.41 C ATOM 753 OE1 GLN A 51 3.726 10.878 -3.653 1.00 60.34 O ATOM 754 NE2 GLN A 51 3.069 11.828 -1.760 1.00 25.04 N ATOM 0 H GLN A 51 0.780 11.810 -6.272 1.00 34.10 H new ATOM 0 HA GLN A 51 1.427 9.630 -4.707 1.00 51.23 H new ATOM 0 HB2 GLN A 51 -0.346 12.065 -4.070 1.00 40.33 H new ATOM 0 HB3 GLN A 51 0.319 11.012 -2.838 1.00 40.33 H new ATOM 0 HG2 GLN A 51 2.079 12.549 -4.788 1.00 33.23 H new ATOM 0 HG3 GLN A 51 1.544 13.230 -3.264 1.00 33.23 H new ATOM 0 HE21 GLN A 51 2.405 12.436 -1.280 1.00 25.04 H new ATOM 0 HE22 GLN A 51 3.831 11.393 -1.239 1.00 25.04 H new ATOM 763 N VAL A 52 -1.861 9.812 -5.111 1.00 70.53 N ATOM 764 CA VAL A 52 -3.148 9.082 -5.030 1.00 14.24 C ATOM 765 C VAL A 52 -3.159 7.839 -5.967 1.00 42.02 C ATOM 766 O VAL A 52 -3.643 6.765 -5.595 1.00 33.15 O ATOM 767 CB VAL A 52 -4.350 10.037 -5.395 1.00 70.24 C ATOM 768 CG1 VAL A 52 -5.702 9.314 -5.246 1.00 70.22 C ATOM 769 CG2 VAL A 52 -4.321 11.337 -4.547 1.00 74.31 C ATOM 0 H VAL A 52 -1.939 10.721 -5.566 1.00 70.53 H new ATOM 0 HA VAL A 52 -3.263 8.736 -4.003 1.00 14.24 H new ATOM 0 HB VAL A 52 -4.234 10.321 -6.441 1.00 70.24 H new ATOM 0 HG11 VAL A 52 -6.511 9.998 -5.504 1.00 70.22 H new ATOM 0 HG12 VAL A 52 -5.729 8.452 -5.912 1.00 70.22 H new ATOM 0 HG13 VAL A 52 -5.824 8.980 -4.216 1.00 70.22 H new ATOM 0 HG21 VAL A 52 -5.163 11.971 -4.825 1.00 74.31 H new ATOM 0 HG22 VAL A 52 -4.391 11.083 -3.489 1.00 74.31 H new ATOM 0 HG23 VAL A 52 -3.389 11.871 -4.731 1.00 74.31 H new ATOM 779 N GLU A 53 -2.601 8.011 -7.178 1.00 55.02 N ATOM 780 CA GLU A 53 -2.589 6.964 -8.232 1.00 34.31 C ATOM 781 C GLU A 53 -1.618 5.800 -7.907 1.00 0.24 C ATOM 782 O GLU A 53 -1.818 4.676 -8.379 1.00 1.40 O ATOM 783 CB GLU A 53 -2.246 7.598 -9.597 1.00 1.04 C ATOM 784 CG GLU A 53 -3.251 8.680 -10.055 1.00 44.42 C ATOM 785 CD GLU A 53 -2.859 9.333 -11.389 1.00 62.31 C ATOM 786 OE1 GLU A 53 -3.253 8.829 -12.457 1.00 22.45 O ATOM 787 OE2 GLU A 53 -2.134 10.349 -11.370 1.00 15.41 O ATOM 0 H GLU A 53 -2.144 8.878 -7.460 1.00 55.02 H new ATOM 0 HA GLU A 53 -3.588 6.531 -8.273 1.00 34.31 H new ATOM 0 HB2 GLU A 53 -1.251 8.040 -9.542 1.00 1.04 H new ATOM 0 HB3 GLU A 53 -2.204 6.812 -10.351 1.00 1.04 H new ATOM 0 HG2 GLU A 53 -4.240 8.232 -10.152 1.00 44.42 H new ATOM 0 HG3 GLU A 53 -3.324 9.450 -9.287 1.00 44.42 H new ATOM 794 N ILE A 54 -0.564 6.085 -7.115 1.00 21.12 N ATOM 795 CA ILE A 54 0.332 5.041 -6.567 1.00 32.33 C ATOM 796 C ILE A 54 -0.465 4.117 -5.613 1.00 54.44 C ATOM 797 O ILE A 54 -0.388 2.899 -5.728 1.00 42.20 O ATOM 798 CB ILE A 54 1.572 5.666 -5.811 1.00 75.55 C ATOM 799 CG1 ILE A 54 2.475 6.490 -6.793 1.00 42.21 C ATOM 800 CG2 ILE A 54 2.404 4.580 -5.065 1.00 13.11 C ATOM 801 CD1 ILE A 54 3.669 7.180 -6.141 1.00 51.22 C ATOM 0 H ILE A 54 -0.310 7.033 -6.839 1.00 21.12 H new ATOM 0 HA ILE A 54 0.719 4.459 -7.403 1.00 32.33 H new ATOM 0 HB ILE A 54 1.180 6.349 -5.057 1.00 75.55 H new ATOM 0 HG12 ILE A 54 2.841 5.823 -7.573 1.00 42.21 H new ATOM 0 HG13 ILE A 54 1.860 7.245 -7.282 1.00 42.21 H new ATOM 0 HG21 ILE A 54 3.247 5.051 -4.559 1.00 13.11 H new ATOM 0 HG22 ILE A 54 1.773 4.079 -4.331 1.00 13.11 H new ATOM 0 HG23 ILE A 54 2.775 3.849 -5.783 1.00 13.11 H new ATOM 0 HD11 ILE A 54 4.233 7.724 -6.899 1.00 51.22 H new ATOM 0 HD12 ILE A 54 3.316 7.877 -5.381 1.00 51.22 H new ATOM 0 HD13 ILE A 54 4.312 6.432 -5.677 1.00 51.22 H new ATOM 813 N LEU A 55 -1.253 4.737 -4.708 1.00 53.43 N ATOM 814 CA LEU A 55 -2.139 4.024 -3.752 1.00 12.33 C ATOM 815 C LEU A 55 -3.116 3.054 -4.455 1.00 61.34 C ATOM 816 O LEU A 55 -3.363 1.949 -3.965 1.00 43.42 O ATOM 817 CB LEU A 55 -2.953 5.046 -2.930 1.00 63.33 C ATOM 818 CG LEU A 55 -2.150 5.939 -1.955 1.00 71.31 C ATOM 819 CD1 LEU A 55 -3.053 7.024 -1.331 1.00 64.11 C ATOM 820 CD2 LEU A 55 -1.471 5.070 -0.876 1.00 23.20 C ATOM 0 H LEU A 55 -1.295 5.752 -4.617 1.00 53.43 H new ATOM 0 HA LEU A 55 -1.493 3.433 -3.103 1.00 12.33 H new ATOM 0 HB2 LEU A 55 -3.489 5.694 -3.624 1.00 63.33 H new ATOM 0 HB3 LEU A 55 -3.704 4.503 -2.356 1.00 63.33 H new ATOM 0 HG LEU A 55 -1.368 6.454 -2.513 1.00 71.31 H new ATOM 0 HD11 LEU A 55 -2.465 7.639 -0.649 1.00 64.11 H new ATOM 0 HD12 LEU A 55 -3.467 7.651 -2.121 1.00 64.11 H new ATOM 0 HD13 LEU A 55 -3.866 6.549 -0.782 1.00 64.11 H new ATOM 0 HD21 LEU A 55 -0.909 5.709 -0.195 1.00 23.20 H new ATOM 0 HD22 LEU A 55 -2.231 4.524 -0.317 1.00 23.20 H new ATOM 0 HD23 LEU A 55 -0.793 4.362 -1.353 1.00 23.20 H new ATOM 832 N GLN A 56 -3.669 3.508 -5.588 1.00 70.20 N ATOM 833 CA GLN A 56 -4.545 2.692 -6.455 1.00 52.24 C ATOM 834 C GLN A 56 -3.819 1.417 -6.961 1.00 72.02 C ATOM 835 O GLN A 56 -4.404 0.337 -6.978 1.00 24.05 O ATOM 836 CB GLN A 56 -5.033 3.550 -7.647 1.00 4.05 C ATOM 837 CG GLN A 56 -5.867 4.788 -7.244 1.00 24.12 C ATOM 838 CD GLN A 56 -6.151 5.744 -8.404 1.00 55.10 C ATOM 839 OE1 GLN A 56 -6.248 5.342 -9.556 1.00 12.04 O ATOM 840 NE2 GLN A 56 -6.297 7.018 -8.104 1.00 64.44 N ATOM 0 H GLN A 56 -3.523 4.456 -5.935 1.00 70.20 H new ATOM 0 HA GLN A 56 -5.403 2.364 -5.868 1.00 52.24 H new ATOM 0 HB2 GLN A 56 -4.166 3.881 -8.219 1.00 4.05 H new ATOM 0 HB3 GLN A 56 -5.631 2.924 -8.309 1.00 4.05 H new ATOM 0 HG2 GLN A 56 -6.814 4.454 -6.820 1.00 24.12 H new ATOM 0 HG3 GLN A 56 -5.340 5.330 -6.459 1.00 24.12 H new ATOM 0 HE21 GLN A 56 -6.211 7.327 -7.136 1.00 64.44 H new ATOM 0 HE22 GLN A 56 -6.496 7.696 -8.840 1.00 64.44 H new ATOM 849 N ARG A 57 -2.535 1.574 -7.349 1.00 53.51 N ATOM 850 CA ARG A 57 -1.667 0.447 -7.789 1.00 11.54 C ATOM 851 C ARG A 57 -1.296 -0.491 -6.621 1.00 74.11 C ATOM 852 O ARG A 57 -1.110 -1.690 -6.824 1.00 73.22 O ATOM 853 CB ARG A 57 -0.382 0.988 -8.475 1.00 63.14 C ATOM 854 CG ARG A 57 -0.655 1.828 -9.734 1.00 13.32 C ATOM 855 CD ARG A 57 -1.360 1.031 -10.850 1.00 5.31 C ATOM 856 NE ARG A 57 -1.885 1.917 -11.905 1.00 40.24 N ATOM 857 CZ ARG A 57 -3.132 2.342 -11.988 1.00 61.14 C ATOM 858 NH1 ARG A 57 -4.041 1.943 -11.144 1.00 50.45 N ATOM 859 NH2 ARG A 57 -3.468 3.150 -12.937 1.00 55.03 N ATOM 0 H ARG A 57 -2.067 2.480 -7.368 1.00 53.51 H new ATOM 0 HA ARG A 57 -2.238 -0.139 -8.509 1.00 11.54 H new ATOM 0 HB2 ARG A 57 0.173 1.594 -7.759 1.00 63.14 H new ATOM 0 HB3 ARG A 57 0.257 0.147 -8.743 1.00 63.14 H new ATOM 0 HG2 ARG A 57 -1.270 2.687 -9.465 1.00 13.32 H new ATOM 0 HG3 ARG A 57 0.289 2.219 -10.115 1.00 13.32 H new ATOM 0 HD2 ARG A 57 -0.659 0.320 -11.287 1.00 5.31 H new ATOM 0 HD3 ARG A 57 -2.177 0.451 -10.422 1.00 5.31 H new ATOM 0 HE ARG A 57 -1.234 2.226 -12.627 1.00 40.24 H new ATOM 0 HH11 ARG A 57 -3.795 1.289 -10.401 1.00 50.45 H new ATOM 0 HH12 ARG A 57 -4.999 2.284 -11.227 1.00 50.45 H new ATOM 0 HH21 ARG A 57 -2.772 3.456 -13.617 1.00 55.03 H new ATOM 0 HH22 ARG A 57 -4.430 3.482 -13.007 1.00 55.03 H new ATOM 873 N VAL A 58 -1.185 0.073 -5.408 1.00 62.33 N ATOM 874 CA VAL A 58 -0.940 -0.705 -4.172 1.00 13.10 C ATOM 875 C VAL A 58 -2.157 -1.613 -3.843 1.00 14.22 C ATOM 876 O VAL A 58 -1.990 -2.751 -3.393 1.00 62.32 O ATOM 877 CB VAL A 58 -0.607 0.255 -2.972 1.00 64.04 C ATOM 878 CG1 VAL A 58 -0.378 -0.520 -1.664 1.00 11.13 C ATOM 879 CG2 VAL A 58 0.618 1.138 -3.302 1.00 34.20 C ATOM 0 H VAL A 58 -1.262 1.078 -5.251 1.00 62.33 H new ATOM 0 HA VAL A 58 -0.077 -1.351 -4.336 1.00 13.10 H new ATOM 0 HB VAL A 58 -1.473 0.900 -2.823 1.00 64.04 H new ATOM 0 HG11 VAL A 58 -0.151 0.181 -0.861 1.00 11.13 H new ATOM 0 HG12 VAL A 58 -1.277 -1.082 -1.412 1.00 11.13 H new ATOM 0 HG13 VAL A 58 0.457 -1.209 -1.791 1.00 11.13 H new ATOM 0 HG21 VAL A 58 0.831 1.795 -2.458 1.00 34.20 H new ATOM 0 HG22 VAL A 58 1.483 0.503 -3.495 1.00 34.20 H new ATOM 0 HG23 VAL A 58 0.405 1.740 -4.186 1.00 34.20 H new ATOM 889 N ILE A 59 -3.374 -1.090 -4.101 1.00 60.21 N ATOM 890 CA ILE A 59 -4.619 -1.886 -4.040 1.00 35.33 C ATOM 891 C ILE A 59 -4.576 -3.012 -5.102 1.00 2.44 C ATOM 892 O ILE A 59 -4.807 -4.174 -4.772 1.00 2.34 O ATOM 893 CB ILE A 59 -5.898 -0.997 -4.278 1.00 11.42 C ATOM 894 CG1 ILE A 59 -5.979 0.160 -3.232 1.00 61.52 C ATOM 895 CG2 ILE A 59 -7.201 -1.845 -4.259 1.00 43.21 C ATOM 896 CD1 ILE A 59 -7.088 1.163 -3.492 1.00 35.13 C ATOM 0 H ILE A 59 -3.522 -0.113 -4.355 1.00 60.21 H new ATOM 0 HA ILE A 59 -4.685 -2.313 -3.039 1.00 35.33 H new ATOM 0 HB ILE A 59 -5.805 -0.557 -5.271 1.00 11.42 H new ATOM 0 HG12 ILE A 59 -6.121 -0.272 -2.241 1.00 61.52 H new ATOM 0 HG13 ILE A 59 -5.025 0.687 -3.217 1.00 61.52 H new ATOM 0 HG21 ILE A 59 -8.060 -1.196 -4.427 1.00 43.21 H new ATOM 0 HG22 ILE A 59 -7.156 -2.598 -5.046 1.00 43.21 H new ATOM 0 HG23 ILE A 59 -7.301 -2.337 -3.291 1.00 43.21 H new ATOM 0 HD11 ILE A 59 -7.072 1.931 -2.719 1.00 35.13 H new ATOM 0 HD12 ILE A 59 -6.938 1.626 -4.467 1.00 35.13 H new ATOM 0 HD13 ILE A 59 -8.051 0.653 -3.477 1.00 35.13 H new ATOM 908 N ASP A 60 -4.245 -2.635 -6.372 1.00 45.20 N ATOM 909 CA ASP A 60 -4.121 -3.585 -7.514 1.00 25.22 C ATOM 910 C ASP A 60 -3.173 -4.757 -7.186 1.00 62.23 C ATOM 911 O ASP A 60 -3.474 -5.905 -7.496 1.00 42.05 O ATOM 912 CB ASP A 60 -3.616 -2.862 -8.800 1.00 20.44 C ATOM 913 CG ASP A 60 -4.602 -1.823 -9.359 1.00 13.21 C ATOM 914 OD1 ASP A 60 -5.811 -2.124 -9.443 1.00 24.40 O ATOM 915 OD2 ASP A 60 -4.182 -0.705 -9.734 1.00 55.23 O ATOM 0 H ASP A 60 -4.058 -1.666 -6.630 1.00 45.20 H new ATOM 0 HA ASP A 60 -5.120 -3.983 -7.694 1.00 25.22 H new ATOM 0 HB2 ASP A 60 -2.670 -2.368 -8.579 1.00 20.44 H new ATOM 0 HB3 ASP A 60 -3.415 -3.608 -9.569 1.00 20.44 H new ATOM 920 N TYR A 61 -2.047 -4.437 -6.525 1.00 71.14 N ATOM 921 CA TYR A 61 -1.043 -5.429 -6.092 1.00 25.30 C ATOM 922 C TYR A 61 -1.675 -6.519 -5.203 1.00 51.33 C ATOM 923 O TYR A 61 -1.513 -7.716 -5.464 1.00 63.02 O ATOM 924 CB TYR A 61 0.120 -4.721 -5.341 1.00 71.52 C ATOM 925 CG TYR A 61 1.104 -5.682 -4.646 1.00 31.22 C ATOM 926 CD1 TYR A 61 1.930 -6.522 -5.393 1.00 51.11 C ATOM 927 CD2 TYR A 61 1.186 -5.761 -3.255 1.00 45.33 C ATOM 928 CE1 TYR A 61 2.792 -7.408 -4.781 1.00 25.14 C ATOM 929 CE2 TYR A 61 2.052 -6.641 -2.645 1.00 2.42 C ATOM 930 CZ TYR A 61 2.853 -7.457 -3.406 1.00 4.21 C ATOM 931 OH TYR A 61 3.704 -8.347 -2.788 1.00 32.53 O ATOM 0 H TYR A 61 -1.805 -3.478 -6.274 1.00 71.14 H new ATOM 0 HA TYR A 61 -0.646 -5.917 -6.982 1.00 25.30 H new ATOM 0 HB2 TYR A 61 0.672 -4.104 -6.050 1.00 71.52 H new ATOM 0 HB3 TYR A 61 -0.302 -4.048 -4.594 1.00 71.52 H new ATOM 0 HD1 TYR A 61 1.894 -6.478 -6.471 1.00 51.11 H new ATOM 0 HD2 TYR A 61 0.561 -5.123 -2.648 1.00 45.33 H new ATOM 0 HE1 TYR A 61 3.415 -8.059 -5.376 1.00 25.14 H new ATOM 0 HE2 TYR A 61 2.101 -6.690 -1.567 1.00 2.42 H new ATOM 0 HH TYR A 61 4.484 -8.505 -3.360 1.00 32.53 H new ATOM 941 N ILE A 62 -2.404 -6.081 -4.167 1.00 43.54 N ATOM 942 CA ILE A 62 -3.051 -6.993 -3.211 1.00 4.15 C ATOM 943 C ILE A 62 -4.219 -7.768 -3.890 1.00 5.30 C ATOM 944 O ILE A 62 -4.460 -8.923 -3.566 1.00 63.43 O ATOM 945 CB ILE A 62 -3.550 -6.225 -1.929 1.00 53.43 C ATOM 946 CG1 ILE A 62 -2.413 -5.303 -1.350 1.00 34.24 C ATOM 947 CG2 ILE A 62 -4.043 -7.229 -0.852 1.00 70.11 C ATOM 948 CD1 ILE A 62 -2.840 -4.368 -0.220 1.00 50.35 C ATOM 0 H ILE A 62 -2.562 -5.093 -3.968 1.00 43.54 H new ATOM 0 HA ILE A 62 -2.305 -7.719 -2.887 1.00 4.15 H new ATOM 0 HB ILE A 62 -4.387 -5.589 -2.216 1.00 53.43 H new ATOM 0 HG12 ILE A 62 -1.604 -5.937 -0.988 1.00 34.24 H new ATOM 0 HG13 ILE A 62 -2.007 -4.701 -2.163 1.00 34.24 H new ATOM 0 HG21 ILE A 62 -4.384 -6.682 0.027 1.00 70.11 H new ATOM 0 HG22 ILE A 62 -4.867 -7.819 -1.254 1.00 70.11 H new ATOM 0 HG23 ILE A 62 -3.225 -7.892 -0.571 1.00 70.11 H new ATOM 0 HD11 ILE A 62 -1.984 -3.778 0.107 1.00 50.35 H new ATOM 0 HD12 ILE A 62 -3.626 -3.702 -0.576 1.00 50.35 H new ATOM 0 HD13 ILE A 62 -3.216 -4.957 0.617 1.00 50.35 H new ATOM 960 N LEU A 63 -4.903 -7.130 -4.866 1.00 63.00 N ATOM 961 CA LEU A 63 -5.975 -7.783 -5.667 1.00 64.52 C ATOM 962 C LEU A 63 -5.410 -8.949 -6.521 1.00 64.44 C ATOM 963 O LEU A 63 -6.069 -9.978 -6.684 1.00 13.13 O ATOM 964 CB LEU A 63 -6.686 -6.747 -6.582 1.00 33.54 C ATOM 965 CG LEU A 63 -7.438 -5.585 -5.854 1.00 33.21 C ATOM 966 CD1 LEU A 63 -8.045 -4.592 -6.871 1.00 71.04 C ATOM 967 CD2 LEU A 63 -8.508 -6.122 -4.870 1.00 73.34 C ATOM 0 H LEU A 63 -4.734 -6.157 -5.123 1.00 63.00 H new ATOM 0 HA LEU A 63 -6.703 -8.194 -4.968 1.00 64.52 H new ATOM 0 HB2 LEU A 63 -5.942 -6.310 -7.247 1.00 33.54 H new ATOM 0 HB3 LEU A 63 -7.402 -7.278 -7.210 1.00 33.54 H new ATOM 0 HG LEU A 63 -6.705 -5.041 -5.259 1.00 33.21 H new ATOM 0 HD11 LEU A 63 -8.562 -3.795 -6.337 1.00 71.04 H new ATOM 0 HD12 LEU A 63 -7.249 -4.164 -7.481 1.00 71.04 H new ATOM 0 HD13 LEU A 63 -8.753 -5.116 -7.513 1.00 71.04 H new ATOM 0 HD21 LEU A 63 -9.008 -5.284 -4.384 1.00 73.34 H new ATOM 0 HD22 LEU A 63 -9.241 -6.715 -5.417 1.00 73.34 H new ATOM 0 HD23 LEU A 63 -8.028 -6.745 -4.115 1.00 73.34 H new ATOM 979 N ASP A 64 -4.183 -8.762 -7.054 1.00 71.24 N ATOM 980 CA ASP A 64 -3.435 -9.821 -7.766 1.00 43.35 C ATOM 981 C ASP A 64 -3.018 -10.970 -6.811 1.00 34.42 C ATOM 982 O ASP A 64 -2.946 -12.124 -7.222 1.00 53.23 O ATOM 983 CB ASP A 64 -2.181 -9.225 -8.470 1.00 63.33 C ATOM 984 CG ASP A 64 -2.518 -8.352 -9.696 1.00 60.33 C ATOM 985 OD1 ASP A 64 -3.102 -8.882 -10.662 1.00 21.11 O ATOM 986 OD2 ASP A 64 -2.175 -7.154 -9.722 1.00 4.03 O ATOM 0 H ASP A 64 -3.684 -7.874 -7.003 1.00 71.24 H new ATOM 0 HA ASP A 64 -4.101 -10.240 -8.521 1.00 43.35 H new ATOM 0 HB2 ASP A 64 -1.621 -8.627 -7.751 1.00 63.33 H new ATOM 0 HB3 ASP A 64 -1.529 -10.040 -8.783 1.00 63.33 H new ATOM 991 N LEU A 65 -2.728 -10.633 -5.539 1.00 61.13 N ATOM 992 CA LEU A 65 -2.389 -11.639 -4.494 1.00 54.04 C ATOM 993 C LEU A 65 -3.617 -12.500 -4.105 1.00 32.45 C ATOM 994 O LEU A 65 -3.505 -13.713 -3.912 1.00 54.22 O ATOM 995 CB LEU A 65 -1.832 -10.943 -3.223 1.00 22.33 C ATOM 996 CG LEU A 65 -0.521 -10.112 -3.390 1.00 60.21 C ATOM 997 CD1 LEU A 65 -0.048 -9.543 -2.031 1.00 33.33 C ATOM 998 CD2 LEU A 65 0.592 -10.933 -4.087 1.00 64.02 C ATOM 0 H LEU A 65 -2.720 -9.670 -5.202 1.00 61.13 H new ATOM 0 HA LEU A 65 -1.627 -12.293 -4.918 1.00 54.04 H new ATOM 0 HB2 LEU A 65 -2.605 -10.282 -2.832 1.00 22.33 H new ATOM 0 HB3 LEU A 65 -1.655 -11.708 -2.467 1.00 22.33 H new ATOM 0 HG LEU A 65 -0.745 -9.267 -4.041 1.00 60.21 H new ATOM 0 HD11 LEU A 65 0.867 -8.968 -2.176 1.00 33.33 H new ATOM 0 HD12 LEU A 65 -0.822 -8.895 -1.619 1.00 33.33 H new ATOM 0 HD13 LEU A 65 0.144 -10.364 -1.340 1.00 33.33 H new ATOM 0 HD21 LEU A 65 1.488 -10.321 -4.185 1.00 64.02 H new ATOM 0 HD22 LEU A 65 0.820 -11.817 -3.491 1.00 64.02 H new ATOM 0 HD23 LEU A 65 0.252 -11.240 -5.076 1.00 64.02 H new ATOM 1010 N GLN A 66 -4.775 -11.835 -3.974 1.00 61.24 N ATOM 1011 CA GLN A 66 -6.036 -12.463 -3.518 1.00 22.54 C ATOM 1012 C GLN A 66 -6.710 -13.281 -4.649 1.00 2.41 C ATOM 1013 O GLN A 66 -6.798 -14.509 -4.580 1.00 44.44 O ATOM 1014 CB GLN A 66 -7.024 -11.376 -2.979 1.00 34.04 C ATOM 1015 CG GLN A 66 -6.499 -10.534 -1.797 1.00 44.10 C ATOM 1016 CD GLN A 66 -6.177 -11.361 -0.552 1.00 22.04 C ATOM 1017 OE1 GLN A 66 -5.053 -11.820 -0.355 1.00 23.14 O ATOM 1018 NE2 GLN A 66 -7.164 -11.568 0.294 1.00 31.12 N ATOM 0 H GLN A 66 -4.869 -10.841 -4.181 1.00 61.24 H new ATOM 0 HA GLN A 66 -5.786 -13.151 -2.711 1.00 22.54 H new ATOM 0 HB2 GLN A 66 -7.279 -10.703 -3.798 1.00 34.04 H new ATOM 0 HB3 GLN A 66 -7.947 -11.868 -2.671 1.00 34.04 H new ATOM 0 HG2 GLN A 66 -5.601 -10.002 -2.111 1.00 44.10 H new ATOM 0 HG3 GLN A 66 -7.243 -9.780 -1.540 1.00 44.10 H new ATOM 0 HE21 GLN A 66 -8.087 -11.176 0.107 1.00 31.12 H new ATOM 0 HE22 GLN A 66 -7.006 -12.120 1.137 1.00 31.12 H new ATOM 1431 N ASP B 27 -11.962 12.672 -1.928 1.00 34.00 N ATOM 1432 CA ASP B 27 -10.922 11.897 -1.203 1.00 20.22 C ATOM 1433 C ASP B 27 -10.754 10.465 -1.774 1.00 3.52 C ATOM 1434 O ASP B 27 -11.195 9.476 -1.176 1.00 32.34 O ATOM 1435 CB ASP B 27 -11.243 11.848 0.310 1.00 72.15 C ATOM 1436 CG ASP B 27 -11.249 13.235 0.958 1.00 72.54 C ATOM 1437 OD1 ASP B 27 -12.309 13.893 0.970 1.00 74.25 O ATOM 1438 OD2 ASP B 27 -10.190 13.686 1.443 1.00 50.21 O ATOM 0 HA ASP B 27 -9.972 12.412 -1.348 1.00 20.22 H new ATOM 0 HB2 ASP B 27 -12.216 11.379 0.456 1.00 72.15 H new ATOM 0 HB3 ASP B 27 -10.508 11.220 0.813 1.00 72.15 H new ATOM 1443 N ASP B 28 -10.133 10.383 -2.966 1.00 64.42 N ATOM 1444 CA ASP B 28 -9.767 9.106 -3.604 1.00 34.53 C ATOM 1445 C ASP B 28 -8.561 8.492 -2.853 1.00 3.22 C ATOM 1446 O ASP B 28 -8.436 7.277 -2.755 1.00 43.10 O ATOM 1447 CB ASP B 28 -9.437 9.343 -5.106 1.00 0.31 C ATOM 1448 CG ASP B 28 -9.365 8.040 -5.927 1.00 14.33 C ATOM 1449 OD1 ASP B 28 -8.314 7.358 -5.922 1.00 53.42 O ATOM 1450 OD2 ASP B 28 -10.365 7.688 -6.585 1.00 74.10 O ATOM 0 H ASP B 28 -9.871 11.202 -3.514 1.00 64.42 H new ATOM 0 HA ASP B 28 -10.602 8.407 -3.551 1.00 34.53 H new ATOM 0 HB2 ASP B 28 -10.195 9.996 -5.539 1.00 0.31 H new ATOM 0 HB3 ASP B 28 -8.484 9.866 -5.183 1.00 0.31 H new ATOM 1455 N MET B 29 -7.693 9.377 -2.320 1.00 21.03 N ATOM 1456 CA MET B 29 -6.540 9.004 -1.481 1.00 25.22 C ATOM 1457 C MET B 29 -6.981 8.284 -0.184 1.00 62.13 C ATOM 1458 O MET B 29 -6.470 7.207 0.120 1.00 30.12 O ATOM 1459 CB MET B 29 -5.681 10.272 -1.173 1.00 12.43 C ATOM 1460 CG MET B 29 -4.747 10.165 0.046 1.00 75.45 C ATOM 1461 SD MET B 29 -3.429 11.396 0.049 1.00 63.31 S ATOM 1462 CE MET B 29 -2.362 10.731 -1.226 1.00 43.12 C ATOM 0 H MET B 29 -7.776 10.383 -2.463 1.00 21.03 H new ATOM 0 HA MET B 29 -5.926 8.293 -2.034 1.00 25.22 H new ATOM 0 HB2 MET B 29 -5.077 10.502 -2.051 1.00 12.43 H new ATOM 0 HB3 MET B 29 -6.354 11.116 -1.019 1.00 12.43 H new ATOM 0 HG2 MET B 29 -5.336 10.273 0.957 1.00 75.45 H new ATOM 0 HG3 MET B 29 -4.304 9.169 0.069 1.00 75.45 H new ATOM 0 HE1 MET B 29 -1.411 10.433 -0.785 1.00 43.12 H new ATOM 0 HE2 MET B 29 -2.838 9.863 -1.683 1.00 43.12 H new ATOM 0 HE3 MET B 29 -2.187 11.491 -1.987 1.00 43.12 H new ATOM 1472 N ASN B 30 -7.933 8.887 0.564 1.00 41.10 N ATOM 1473 CA ASN B 30 -8.468 8.283 1.812 1.00 33.44 C ATOM 1474 C ASN B 30 -9.317 7.014 1.508 1.00 73.42 C ATOM 1475 O ASN B 30 -9.351 6.084 2.317 1.00 23.12 O ATOM 1476 CB ASN B 30 -9.293 9.317 2.622 1.00 54.54 C ATOM 1477 CG ASN B 30 -9.709 8.786 4.004 1.00 70.54 C ATOM 1478 OD1 ASN B 30 -8.990 8.003 4.624 1.00 22.24 O ATOM 1479 ND2 ASN B 30 -10.864 9.182 4.488 1.00 72.15 N ATOM 0 H ASN B 30 -8.347 9.789 0.328 1.00 41.10 H new ATOM 0 HA ASN B 30 -7.617 7.977 2.420 1.00 33.44 H new ATOM 0 HB2 ASN B 30 -8.706 10.227 2.748 1.00 54.54 H new ATOM 0 HB3 ASN B 30 -10.185 9.588 2.057 1.00 54.54 H new ATOM 0 HD21 ASN B 30 -11.181 8.840 5.395 1.00 72.15 H new ATOM 0 HD22 ASN B 30 -11.444 9.832 3.957 1.00 72.15 H new ATOM 1486 N HIS B 31 -10.000 7.007 0.343 1.00 2.34 N ATOM 1487 CA HIS B 31 -10.722 5.814 -0.178 1.00 72.41 C ATOM 1488 C HIS B 31 -9.738 4.631 -0.394 1.00 23.13 C ATOM 1489 O HIS B 31 -10.013 3.488 -0.001 1.00 14.41 O ATOM 1490 CB HIS B 31 -11.429 6.168 -1.515 1.00 33.32 C ATOM 1491 CG HIS B 31 -12.283 5.059 -2.090 1.00 4.31 C ATOM 1492 ND1 HIS B 31 -11.722 3.983 -2.739 1.00 31.13 N ATOM 1493 CD2 HIS B 31 -13.627 4.899 -2.065 1.00 2.40 C ATOM 1494 CE1 HIS B 31 -12.724 3.203 -3.086 1.00 35.33 C ATOM 1495 NE2 HIS B 31 -13.900 3.713 -2.699 1.00 63.04 N ATOM 0 H HIS B 31 -10.070 7.823 -0.265 1.00 2.34 H new ATOM 0 HA HIS B 31 -11.470 5.512 0.555 1.00 72.41 H new ATOM 0 HB2 HIS B 31 -12.055 7.046 -1.358 1.00 33.32 H new ATOM 0 HB3 HIS B 31 -10.672 6.443 -2.249 1.00 33.32 H new ATOM 0 HD2 HIS B 31 -14.347 5.576 -1.629 1.00 2.40 H new ATOM 0 HE1 HIS B 31 -12.612 2.269 -3.616 1.00 35.33 H new ATOM 0 HE2 HIS B 31 -14.821 3.300 -2.847 1.00 63.04 H new ATOM 1503 N CYS B 32 -8.592 4.948 -1.022 1.00 4.42 N ATOM 1504 CA CYS B 32 -7.490 3.998 -1.253 1.00 5.14 C ATOM 1505 C CYS B 32 -6.912 3.477 0.082 1.00 73.41 C ATOM 1506 O CYS B 32 -6.768 2.273 0.272 1.00 72.03 O ATOM 1507 CB CYS B 32 -6.369 4.651 -2.098 1.00 71.14 C ATOM 1508 SG CYS B 32 -6.806 4.998 -3.825 1.00 73.50 S ATOM 0 H CYS B 32 -8.403 5.881 -1.387 1.00 4.42 H new ATOM 0 HA CYS B 32 -7.897 3.151 -1.805 1.00 5.14 H new ATOM 0 HB2 CYS B 32 -6.073 5.585 -1.620 1.00 71.14 H new ATOM 0 HB3 CYS B 32 -5.498 3.996 -2.085 1.00 71.14 H new ATOM 0 HG CYS B 32 -7.598 6.027 -3.874 1.00 73.50 H new ATOM 1514 N TYR B 33 -6.623 4.416 1.002 1.00 10.01 N ATOM 1515 CA TYR B 33 -6.110 4.124 2.362 1.00 11.14 C ATOM 1516 C TYR B 33 -7.086 3.252 3.183 1.00 22.12 C ATOM 1517 O TYR B 33 -6.658 2.447 4.018 1.00 41.23 O ATOM 1518 CB TYR B 33 -5.804 5.461 3.110 1.00 50.23 C ATOM 1519 CG TYR B 33 -4.434 6.084 2.774 1.00 30.30 C ATOM 1520 CD1 TYR B 33 -3.285 5.304 2.821 1.00 30.42 C ATOM 1521 CD2 TYR B 33 -4.273 7.439 2.463 1.00 44.22 C ATOM 1522 CE1 TYR B 33 -2.042 5.829 2.589 1.00 3.43 C ATOM 1523 CE2 TYR B 33 -3.022 7.969 2.216 1.00 11.25 C ATOM 1524 CZ TYR B 33 -1.911 7.164 2.278 1.00 52.22 C ATOM 1525 OH TYR B 33 -0.664 7.706 2.053 1.00 25.11 O ATOM 0 H TYR B 33 -6.739 5.413 0.823 1.00 10.01 H new ATOM 0 HA TYR B 33 -5.190 3.549 2.253 1.00 11.14 H new ATOM 0 HB2 TYR B 33 -6.585 6.183 2.872 1.00 50.23 H new ATOM 0 HB3 TYR B 33 -5.853 5.281 4.184 1.00 50.23 H new ATOM 0 HD1 TYR B 33 -3.375 4.252 3.047 1.00 30.42 H new ATOM 0 HD2 TYR B 33 -5.141 8.080 2.415 1.00 44.22 H new ATOM 0 HE1 TYR B 33 -1.167 5.198 2.650 1.00 3.43 H new ATOM 0 HE2 TYR B 33 -2.917 9.016 1.974 1.00 11.25 H new ATOM 0 HH TYR B 33 -0.084 7.522 2.821 1.00 25.11 H new ATOM 1535 N SER B 34 -8.392 3.430 2.941 1.00 71.23 N ATOM 1536 CA SER B 34 -9.455 2.625 3.584 1.00 32.24 C ATOM 1537 C SER B 34 -9.403 1.157 3.097 1.00 74.20 C ATOM 1538 O SER B 34 -9.404 0.231 3.912 1.00 31.52 O ATOM 1539 CB SER B 34 -10.841 3.250 3.307 1.00 31.23 C ATOM 1540 OG SER B 34 -11.882 2.496 3.906 1.00 63.03 O ATOM 0 H SER B 34 -8.748 4.135 2.295 1.00 71.23 H new ATOM 0 HA SER B 34 -9.287 2.625 4.661 1.00 32.24 H new ATOM 0 HB2 SER B 34 -10.864 4.271 3.689 1.00 31.23 H new ATOM 0 HB3 SER B 34 -11.006 3.309 2.231 1.00 31.23 H new ATOM 0 HG SER B 34 -12.745 2.919 3.713 1.00 63.03 H new ATOM 1546 N ARG B 35 -9.317 0.976 1.756 1.00 53.24 N ATOM 1547 CA ARG B 35 -9.127 -0.353 1.119 1.00 15.13 C ATOM 1548 C ARG B 35 -7.841 -1.056 1.600 1.00 35.14 C ATOM 1549 O ARG B 35 -7.849 -2.265 1.801 1.00 21.11 O ATOM 1550 CB ARG B 35 -9.113 -0.249 -0.428 1.00 1.31 C ATOM 1551 CG ARG B 35 -10.506 -0.402 -1.074 1.00 51.54 C ATOM 1552 CD ARG B 35 -10.389 -0.563 -2.588 1.00 22.24 C ATOM 1553 NE ARG B 35 -11.682 -0.739 -3.274 1.00 23.21 N ATOM 1554 CZ ARG B 35 -11.867 -1.466 -4.363 1.00 71.52 C ATOM 1555 NH1 ARG B 35 -10.913 -2.188 -4.868 1.00 74.13 N ATOM 1556 NH2 ARG B 35 -13.026 -1.486 -4.928 1.00 30.25 N ATOM 0 H ARG B 35 -9.377 1.744 1.087 1.00 53.24 H new ATOM 0 HA ARG B 35 -9.981 -0.957 1.426 1.00 15.13 H new ATOM 0 HB2 ARG B 35 -8.694 0.715 -0.714 1.00 1.31 H new ATOM 0 HB3 ARG B 35 -8.450 -1.016 -0.829 1.00 1.31 H new ATOM 0 HG2 ARG B 35 -11.015 -1.268 -0.650 1.00 51.54 H new ATOM 0 HG3 ARG B 35 -11.116 0.471 -0.843 1.00 51.54 H new ATOM 0 HD2 ARG B 35 -9.888 0.314 -2.999 1.00 22.24 H new ATOM 0 HD3 ARG B 35 -9.755 -1.423 -2.804 1.00 22.24 H new ATOM 0 HE ARG B 35 -12.494 -0.265 -2.879 1.00 23.21 H new ATOM 0 HH11 ARG B 35 -9.995 -2.203 -4.424 1.00 74.13 H new ATOM 0 HH12 ARG B 35 -11.082 -2.740 -5.709 1.00 74.13 H new ATOM 0 HH21 ARG B 35 -13.795 -0.943 -4.535 1.00 30.25 H new ATOM 0 HH22 ARG B 35 -13.174 -2.045 -5.768 1.00 30.25 H new ATOM 1570 N LEU B 36 -6.746 -0.292 1.752 1.00 1.12 N ATOM 1571 CA LEU B 36 -5.468 -0.827 2.265 1.00 64.43 C ATOM 1572 C LEU B 36 -5.652 -1.366 3.699 1.00 32.32 C ATOM 1573 O LEU B 36 -5.311 -2.498 3.976 1.00 63.13 O ATOM 1574 CB LEU B 36 -4.350 0.250 2.201 1.00 75.13 C ATOM 1575 CG LEU B 36 -3.995 0.783 0.772 1.00 5.32 C ATOM 1576 CD1 LEU B 36 -2.839 1.807 0.817 1.00 72.54 C ATOM 1577 CD2 LEU B 36 -3.692 -0.380 -0.208 1.00 1.00 C ATOM 0 H LEU B 36 -6.718 0.702 1.527 1.00 1.12 H new ATOM 0 HA LEU B 36 -5.157 -1.656 1.630 1.00 64.43 H new ATOM 0 HB2 LEU B 36 -4.651 1.096 2.819 1.00 75.13 H new ATOM 0 HB3 LEU B 36 -3.446 -0.165 2.648 1.00 75.13 H new ATOM 0 HG LEU B 36 -4.873 1.306 0.393 1.00 5.32 H new ATOM 0 HD11 LEU B 36 -2.621 2.154 -0.193 1.00 72.54 H new ATOM 0 HD12 LEU B 36 -3.128 2.655 1.438 1.00 72.54 H new ATOM 0 HD13 LEU B 36 -1.951 1.335 1.238 1.00 72.54 H new ATOM 0 HD21 LEU B 36 -3.450 0.026 -1.190 1.00 1.00 H new ATOM 0 HD22 LEU B 36 -2.847 -0.959 0.164 1.00 1.00 H new ATOM 0 HD23 LEU B 36 -4.567 -1.026 -0.288 1.00 1.00 H new ATOM 1589 N ARG B 37 -6.283 -0.564 4.573 1.00 42.44 N ATOM 1590 CA ARG B 37 -6.618 -0.977 5.965 1.00 23.51 C ATOM 1591 C ARG B 37 -7.538 -2.238 6.030 1.00 1.43 C ATOM 1592 O ARG B 37 -7.587 -2.918 7.061 1.00 3.33 O ATOM 1593 CB ARG B 37 -7.266 0.209 6.725 1.00 21.01 C ATOM 1594 CG ARG B 37 -6.256 1.291 7.163 1.00 51.53 C ATOM 1595 CD ARG B 37 -6.929 2.542 7.754 1.00 24.54 C ATOM 1596 NE ARG B 37 -7.619 3.342 6.718 1.00 24.21 N ATOM 1597 CZ ARG B 37 -8.222 4.499 6.911 1.00 2.52 C ATOM 1598 NH1 ARG B 37 -8.349 5.009 8.095 1.00 34.51 N ATOM 1599 NH2 ARG B 37 -8.715 5.141 5.900 1.00 30.13 N ATOM 0 H ARG B 37 -6.578 0.386 4.346 1.00 42.44 H new ATOM 0 HA ARG B 37 -5.682 -1.258 6.447 1.00 23.51 H new ATOM 0 HB2 ARG B 37 -8.023 0.667 6.088 1.00 21.01 H new ATOM 0 HB3 ARG B 37 -7.780 -0.173 7.607 1.00 21.01 H new ATOM 0 HG2 ARG B 37 -5.577 0.867 7.903 1.00 51.53 H new ATOM 0 HG3 ARG B 37 -5.650 1.583 6.305 1.00 51.53 H new ATOM 0 HD2 ARG B 37 -7.647 2.241 8.517 1.00 24.54 H new ATOM 0 HD3 ARG B 37 -6.178 3.159 8.248 1.00 24.54 H new ATOM 0 HE ARG B 37 -7.629 2.965 5.770 1.00 24.21 H new ATOM 0 HH11 ARG B 37 -7.978 4.514 8.906 1.00 34.51 H new ATOM 0 HH12 ARG B 37 -8.820 5.906 8.216 1.00 34.51 H new ATOM 0 HH21 ARG B 37 -8.636 4.751 4.961 1.00 30.13 H new ATOM 0 HH22 ARG B 37 -9.182 6.036 6.043 1.00 30.13 H new ATOM 1613 N GLU B 38 -8.253 -2.533 4.924 1.00 20.32 N ATOM 1614 CA GLU B 38 -9.143 -3.716 4.823 1.00 52.42 C ATOM 1615 C GLU B 38 -8.378 -4.945 4.273 1.00 35.02 C ATOM 1616 O GLU B 38 -8.599 -6.073 4.711 1.00 54.45 O ATOM 1617 CB GLU B 38 -10.360 -3.399 3.911 1.00 52.44 C ATOM 1618 CG GLU B 38 -11.319 -2.326 4.468 1.00 55.31 C ATOM 1619 CD GLU B 38 -12.474 -1.990 3.512 1.00 22.22 C ATOM 1620 OE1 GLU B 38 -13.455 -2.764 3.461 1.00 33.00 O ATOM 1621 OE2 GLU B 38 -12.392 -0.974 2.787 1.00 64.54 O ATOM 0 H GLU B 38 -8.232 -1.963 4.078 1.00 20.32 H new ATOM 0 HA GLU B 38 -9.499 -3.954 5.825 1.00 52.42 H new ATOM 0 HB2 GLU B 38 -9.993 -3.070 2.939 1.00 52.44 H new ATOM 0 HB3 GLU B 38 -10.922 -4.318 3.745 1.00 52.44 H new ATOM 0 HG2 GLU B 38 -11.730 -2.673 5.416 1.00 55.31 H new ATOM 0 HG3 GLU B 38 -10.754 -1.418 4.678 1.00 55.31 H new ATOM 1628 N LEU B 39 -7.483 -4.706 3.299 1.00 33.04 N ATOM 1629 CA LEU B 39 -6.709 -5.770 2.611 1.00 61.23 C ATOM 1630 C LEU B 39 -5.413 -6.139 3.377 1.00 40.14 C ATOM 1631 O LEU B 39 -4.762 -7.143 3.058 1.00 34.42 O ATOM 1632 CB LEU B 39 -6.379 -5.323 1.163 1.00 61.21 C ATOM 1633 CG LEU B 39 -7.604 -5.086 0.213 1.00 11.41 C ATOM 1634 CD1 LEU B 39 -7.150 -4.575 -1.179 1.00 42.41 C ATOM 1635 CD2 LEU B 39 -8.483 -6.362 0.090 1.00 50.03 C ATOM 0 H LEU B 39 -7.271 -3.767 2.961 1.00 33.04 H new ATOM 0 HA LEU B 39 -7.327 -6.668 2.583 1.00 61.23 H new ATOM 0 HB2 LEU B 39 -5.801 -4.400 1.213 1.00 61.21 H new ATOM 0 HB3 LEU B 39 -5.736 -6.078 0.710 1.00 61.21 H new ATOM 0 HG LEU B 39 -8.220 -4.307 0.663 1.00 11.41 H new ATOM 0 HD11 LEU B 39 -8.023 -4.421 -1.813 1.00 42.41 H new ATOM 0 HD12 LEU B 39 -6.615 -3.633 -1.064 1.00 42.41 H new ATOM 0 HD13 LEU B 39 -6.492 -5.312 -1.640 1.00 42.41 H new ATOM 0 HD21 LEU B 39 -9.323 -6.163 -0.576 1.00 50.03 H new ATOM 0 HD22 LEU B 39 -7.885 -7.178 -0.315 1.00 50.03 H new ATOM 0 HD23 LEU B 39 -8.859 -6.641 1.074 1.00 50.03 H new ATOM 1647 N VAL B 40 -5.047 -5.308 4.368 1.00 12.54 N ATOM 1648 CA VAL B 40 -3.913 -5.562 5.287 1.00 31.13 C ATOM 1649 C VAL B 40 -4.457 -5.988 6.675 1.00 42.25 C ATOM 1650 O VAL B 40 -4.922 -5.133 7.433 1.00 34.11 O ATOM 1651 CB VAL B 40 -2.993 -4.282 5.450 1.00 23.51 C ATOM 1652 CG1 VAL B 40 -1.781 -4.550 6.378 1.00 5.25 C ATOM 1653 CG2 VAL B 40 -2.546 -3.742 4.071 1.00 24.13 C ATOM 0 H VAL B 40 -5.532 -4.431 4.559 1.00 12.54 H new ATOM 0 HA VAL B 40 -3.306 -6.360 4.859 1.00 31.13 H new ATOM 0 HB VAL B 40 -3.592 -3.510 5.933 1.00 23.51 H new ATOM 0 HG11 VAL B 40 -1.179 -3.645 6.460 1.00 5.25 H new ATOM 0 HG12 VAL B 40 -2.137 -4.840 7.367 1.00 5.25 H new ATOM 0 HG13 VAL B 40 -1.174 -5.353 5.961 1.00 5.25 H new ATOM 0 HG21 VAL B 40 -1.916 -2.864 4.211 1.00 24.13 H new ATOM 0 HG22 VAL B 40 -1.983 -4.512 3.544 1.00 24.13 H new ATOM 0 HG23 VAL B 40 -3.424 -3.469 3.485 1.00 24.13 H new ATOM 1663 N PRO B 41 -4.435 -7.320 7.028 1.00 31.33 N ATOM 1664 CA PRO B 41 -4.768 -7.810 8.401 1.00 42.31 C ATOM 1665 C PRO B 41 -3.641 -7.570 9.454 1.00 75.22 C ATOM 1666 O PRO B 41 -3.601 -8.246 10.487 1.00 12.41 O ATOM 1667 CB PRO B 41 -5.033 -9.340 8.187 1.00 22.13 C ATOM 1668 CG PRO B 41 -5.074 -9.531 6.694 1.00 24.34 C ATOM 1669 CD PRO B 41 -4.170 -8.462 6.128 1.00 63.44 C ATOM 0 HA PRO B 41 -5.617 -7.268 8.817 1.00 42.31 H new ATOM 0 HB2 PRO B 41 -4.245 -9.943 8.639 1.00 22.13 H new ATOM 0 HB3 PRO B 41 -5.972 -9.645 8.649 1.00 22.13 H new ATOM 0 HG2 PRO B 41 -4.728 -10.526 6.416 1.00 24.34 H new ATOM 0 HG3 PRO B 41 -6.090 -9.429 6.313 1.00 24.34 H new ATOM 0 HD2 PRO B 41 -3.122 -8.762 6.149 1.00 63.44 H new ATOM 0 HD3 PRO B 41 -4.414 -8.229 5.092 1.00 63.44 H new ATOM 1677 N GLY B 42 -2.746 -6.590 9.188 1.00 62.20 N ATOM 1678 CA GLY B 42 -1.620 -6.257 10.085 1.00 15.31 C ATOM 1679 C GLY B 42 -1.831 -4.984 10.919 1.00 43.22 C ATOM 1680 O GLY B 42 -0.912 -4.559 11.626 1.00 20.53 O ATOM 0 H GLY B 42 -2.786 -6.012 8.349 1.00 62.20 H new ATOM 0 HA2 GLY B 42 -1.448 -7.095 10.760 1.00 15.31 H new ATOM 0 HA3 GLY B 42 -0.717 -6.140 9.487 1.00 15.31 H new ATOM 1684 N VAL B 43 -3.032 -4.372 10.838 1.00 51.31 N ATOM 1685 CA VAL B 43 -3.393 -3.191 11.667 1.00 64.12 C ATOM 1686 C VAL B 43 -3.796 -3.651 13.104 1.00 23.14 C ATOM 1687 O VAL B 43 -4.743 -4.428 13.241 1.00 72.52 O ATOM 1688 CB VAL B 43 -4.568 -2.367 11.006 1.00 71.13 C ATOM 1689 CG1 VAL B 43 -4.974 -1.141 11.866 1.00 14.14 C ATOM 1690 CG2 VAL B 43 -4.196 -1.948 9.558 1.00 24.13 C ATOM 0 H VAL B 43 -3.773 -4.674 10.206 1.00 51.31 H new ATOM 0 HA VAL B 43 -2.521 -2.540 11.731 1.00 64.12 H new ATOM 0 HB VAL B 43 -5.441 -3.018 10.958 1.00 71.13 H new ATOM 0 HG11 VAL B 43 -5.785 -0.604 11.374 1.00 14.14 H new ATOM 0 HG12 VAL B 43 -5.306 -1.479 12.848 1.00 14.14 H new ATOM 0 HG13 VAL B 43 -4.117 -0.478 11.982 1.00 14.14 H new ATOM 0 HG21 VAL B 43 -5.018 -1.382 9.121 1.00 24.13 H new ATOM 0 HG22 VAL B 43 -3.299 -1.329 9.577 1.00 24.13 H new ATOM 0 HG23 VAL B 43 -4.009 -2.839 8.958 1.00 24.13 H new ATOM 1700 N PRO B 44 -3.088 -3.171 14.188 1.00 23.11 N ATOM 1701 CA PRO B 44 -3.247 -3.706 15.583 1.00 11.51 C ATOM 1702 C PRO B 44 -4.652 -3.464 16.237 1.00 3.43 C ATOM 1703 O PRO B 44 -4.848 -2.510 16.994 1.00 44.23 O ATOM 1704 CB PRO B 44 -2.104 -2.991 16.361 1.00 12.32 C ATOM 1705 CG PRO B 44 -1.874 -1.722 15.596 1.00 65.03 C ATOM 1706 CD PRO B 44 -2.061 -2.088 14.142 1.00 12.24 C ATOM 0 HA PRO B 44 -3.185 -4.794 15.596 1.00 11.51 H new ATOM 0 HB2 PRO B 44 -2.392 -2.787 17.392 1.00 12.32 H new ATOM 0 HB3 PRO B 44 -1.203 -3.603 16.396 1.00 12.32 H new ATOM 0 HG2 PRO B 44 -2.578 -0.948 15.900 1.00 65.03 H new ATOM 0 HG3 PRO B 44 -0.873 -1.331 15.777 1.00 65.03 H new ATOM 0 HD2 PRO B 44 -2.401 -1.236 13.554 1.00 12.24 H new ATOM 0 HD3 PRO B 44 -1.131 -2.435 13.692 1.00 12.24 H new ATOM 1714 N ARG B 45 -5.624 -4.339 15.868 1.00 74.40 N ATOM 1715 CA ARG B 45 -6.955 -4.499 16.526 1.00 11.22 C ATOM 1716 C ARG B 45 -7.771 -3.188 16.764 1.00 1.44 C ATOM 1717 O ARG B 45 -8.658 -3.154 17.631 1.00 31.34 O ATOM 1718 CB ARG B 45 -6.790 -5.313 17.845 1.00 1.32 C ATOM 1719 CG ARG B 45 -6.315 -6.772 17.640 1.00 13.12 C ATOM 1720 CD ARG B 45 -7.270 -7.588 16.745 1.00 51.12 C ATOM 1721 NE ARG B 45 -8.639 -7.649 17.289 1.00 33.11 N ATOM 1722 CZ ARG B 45 -9.708 -8.056 16.637 1.00 15.53 C ATOM 1723 NH1 ARG B 45 -9.655 -8.397 15.387 1.00 33.30 N ATOM 1724 NH2 ARG B 45 -10.842 -8.100 17.244 1.00 12.41 N ATOM 0 H ARG B 45 -5.502 -4.974 15.079 1.00 74.40 H new ATOM 0 HA ARG B 45 -7.566 -5.045 15.808 1.00 11.22 H new ATOM 0 HB2 ARG B 45 -6.076 -4.798 18.489 1.00 1.32 H new ATOM 0 HB3 ARG B 45 -7.744 -5.325 18.372 1.00 1.32 H new ATOM 0 HG2 ARG B 45 -5.321 -6.767 17.194 1.00 13.12 H new ATOM 0 HG3 ARG B 45 -6.226 -7.261 18.610 1.00 13.12 H new ATOM 0 HD2 ARG B 45 -7.297 -7.145 15.750 1.00 51.12 H new ATOM 0 HD3 ARG B 45 -6.882 -8.600 16.633 1.00 51.12 H new ATOM 0 HE ARG B 45 -8.769 -7.350 18.255 1.00 33.11 H new ATOM 0 HH11 ARG B 45 -8.769 -8.354 14.884 1.00 33.30 H new ATOM 0 HH12 ARG B 45 -10.499 -8.709 14.907 1.00 33.30 H new ATOM 0 HH21 ARG B 45 -10.908 -7.821 18.223 1.00 12.41 H new ATOM 0 HH22 ARG B 45 -11.675 -8.414 16.746 1.00 12.41 H new ATOM 1738 N GLY B 46 -7.524 -2.150 15.948 1.00 13.43 N ATOM 1739 CA GLY B 46 -8.290 -0.893 16.017 1.00 11.24 C ATOM 1740 C GLY B 46 -7.432 0.324 16.335 1.00 12.01 C ATOM 1741 O GLY B 46 -6.751 0.357 17.362 1.00 44.33 O ATOM 0 H GLY B 46 -6.798 -2.156 15.231 1.00 13.43 H new ATOM 0 HA2 GLY B 46 -8.796 -0.732 15.065 1.00 11.24 H new ATOM 0 HA3 GLY B 46 -9.065 -0.990 16.777 1.00 11.24 H new ATOM 1745 N THR B 47 -7.494 1.336 15.445 1.00 30.11 N ATOM 1746 CA THR B 47 -6.699 2.585 15.558 1.00 32.31 C ATOM 1747 C THR B 47 -7.041 3.566 14.415 1.00 34.22 C ATOM 1748 O THR B 47 -7.073 4.771 14.630 1.00 13.45 O ATOM 1749 CB THR B 47 -5.139 2.322 15.552 1.00 32.10 C ATOM 1750 OG1 THR B 47 -4.408 3.563 15.617 1.00 40.14 O ATOM 1751 CG2 THR B 47 -4.683 1.524 14.321 1.00 2.42 C ATOM 0 H THR B 47 -8.098 1.314 14.623 1.00 30.11 H new ATOM 0 HA THR B 47 -6.968 3.022 16.520 1.00 32.31 H new ATOM 0 HB THR B 47 -4.924 1.724 16.438 1.00 32.10 H new ATOM 0 HG1 THR B 47 -3.446 3.377 15.614 1.00 40.14 H new ATOM 0 HG21 THR B 47 -3.605 1.371 14.366 1.00 2.42 H new ATOM 0 HG22 THR B 47 -5.187 0.557 14.307 1.00 2.42 H new ATOM 0 HG23 THR B 47 -4.934 2.077 13.416 1.00 2.42 H new ATOM 1759 N GLN B 48 -7.323 3.013 13.208 1.00 3.15 N ATOM 1760 CA GLN B 48 -7.393 3.773 11.937 1.00 54.42 C ATOM 1761 C GLN B 48 -6.124 4.647 11.752 1.00 15.05 C ATOM 1762 O GLN B 48 -6.097 5.837 12.098 1.00 65.01 O ATOM 1763 CB GLN B 48 -8.707 4.601 11.794 1.00 3.13 C ATOM 1764 CG GLN B 48 -9.995 3.753 11.640 1.00 75.53 C ATOM 1765 CD GLN B 48 -10.469 3.093 12.944 1.00 33.22 C ATOM 1766 OE1 GLN B 48 -10.061 1.986 13.294 1.00 63.44 O ATOM 1767 NE2 GLN B 48 -11.333 3.768 13.669 1.00 50.44 N ATOM 0 H GLN B 48 -7.510 2.017 13.090 1.00 3.15 H new ATOM 0 HA GLN B 48 -7.421 3.044 11.127 1.00 54.42 H new ATOM 0 HB2 GLN B 48 -8.813 5.242 12.669 1.00 3.13 H new ATOM 0 HB3 GLN B 48 -8.615 5.257 10.928 1.00 3.13 H new ATOM 0 HG2 GLN B 48 -10.793 4.389 11.256 1.00 75.53 H new ATOM 0 HG3 GLN B 48 -9.820 2.977 10.895 1.00 75.53 H new ATOM 0 HE21 GLN B 48 -11.656 4.684 13.357 1.00 50.44 H new ATOM 0 HE22 GLN B 48 -11.681 3.376 14.544 1.00 50.44 H new ATOM 1776 N LEU B 49 -5.069 3.985 11.245 1.00 71.15 N ATOM 1777 CA LEU B 49 -3.697 4.529 11.126 1.00 21.11 C ATOM 1778 C LEU B 49 -3.610 5.854 10.326 1.00 70.03 C ATOM 1779 O LEU B 49 -4.480 6.163 9.500 1.00 44.44 O ATOM 1780 CB LEU B 49 -2.809 3.463 10.432 1.00 11.21 C ATOM 1781 CG LEU B 49 -2.601 2.126 11.199 1.00 43.42 C ATOM 1782 CD1 LEU B 49 -1.998 1.051 10.274 1.00 61.10 C ATOM 1783 CD2 LEU B 49 -1.726 2.335 12.458 1.00 13.41 C ATOM 0 H LEU B 49 -5.145 3.030 10.896 1.00 71.15 H new ATOM 0 HA LEU B 49 -3.356 4.758 12.136 1.00 21.11 H new ATOM 0 HB2 LEU B 49 -3.247 3.234 9.461 1.00 11.21 H new ATOM 0 HB3 LEU B 49 -1.830 3.904 10.244 1.00 11.21 H new ATOM 0 HG LEU B 49 -3.578 1.773 11.531 1.00 43.42 H new ATOM 0 HD11 LEU B 49 -1.862 0.125 10.833 1.00 61.10 H new ATOM 0 HD12 LEU B 49 -2.671 0.873 9.436 1.00 61.10 H new ATOM 0 HD13 LEU B 49 -1.034 1.393 9.898 1.00 61.10 H new ATOM 0 HD21 LEU B 49 -1.598 1.383 12.974 1.00 13.41 H new ATOM 0 HD22 LEU B 49 -0.751 2.722 12.163 1.00 13.41 H new ATOM 0 HD23 LEU B 49 -2.212 3.047 13.125 1.00 13.41 H new ATOM 1795 N SER B 50 -2.522 6.610 10.579 1.00 50.15 N ATOM 1796 CA SER B 50 -2.159 7.789 9.760 1.00 32.32 C ATOM 1797 C SER B 50 -1.773 7.374 8.336 1.00 5.14 C ATOM 1798 O SER B 50 -1.349 6.238 8.123 1.00 31.02 O ATOM 1799 CB SER B 50 -0.989 8.577 10.396 1.00 23.32 C ATOM 1800 OG SER B 50 -0.699 9.760 9.654 1.00 44.53 O ATOM 0 H SER B 50 -1.876 6.425 11.347 1.00 50.15 H new ATOM 0 HA SER B 50 -3.038 8.432 9.720 1.00 32.32 H new ATOM 0 HB2 SER B 50 -1.241 8.842 11.423 1.00 23.32 H new ATOM 0 HB3 SER B 50 -0.102 7.945 10.438 1.00 23.32 H new ATOM 0 HG SER B 50 0.043 10.239 10.079 1.00 44.53 H new ATOM 1806 N GLN B 51 -1.894 8.317 7.391 1.00 75.24 N ATOM 1807 CA GLN B 51 -1.533 8.117 5.969 1.00 41.34 C ATOM 1808 C GLN B 51 -0.142 7.442 5.791 1.00 70.42 C ATOM 1809 O GLN B 51 0.027 6.555 4.958 1.00 62.53 O ATOM 1810 CB GLN B 51 -1.557 9.485 5.238 1.00 22.40 C ATOM 1811 CG GLN B 51 -2.932 10.177 5.220 1.00 52.24 C ATOM 1812 CD GLN B 51 -2.911 11.520 4.479 1.00 40.01 C ATOM 1813 OE1 GLN B 51 -2.679 12.569 5.069 1.00 14.24 O ATOM 1814 NE2 GLN B 51 -3.129 11.495 3.177 1.00 62.35 N ATOM 0 H GLN B 51 -2.249 9.253 7.589 1.00 75.24 H new ATOM 0 HA GLN B 51 -2.269 7.441 5.534 1.00 41.34 H new ATOM 0 HB2 GLN B 51 -0.836 10.150 5.715 1.00 22.40 H new ATOM 0 HB3 GLN B 51 -1.225 9.339 4.210 1.00 22.40 H new ATOM 0 HG2 GLN B 51 -3.660 9.517 4.747 1.00 52.24 H new ATOM 0 HG3 GLN B 51 -3.266 10.338 6.245 1.00 52.24 H new ATOM 0 HE21 GLN B 51 -3.320 10.609 2.709 1.00 62.35 H new ATOM 0 HE22 GLN B 51 -3.106 12.362 2.639 1.00 62.35 H new ATOM 1823 N VAL B 52 0.828 7.853 6.631 1.00 2.02 N ATOM 1824 CA VAL B 52 2.202 7.295 6.622 1.00 2.33 C ATOM 1825 C VAL B 52 2.221 5.844 7.179 1.00 1.14 C ATOM 1826 O VAL B 52 2.741 4.931 6.534 1.00 54.43 O ATOM 1827 CB VAL B 52 3.194 8.181 7.465 1.00 33.22 C ATOM 1828 CG1 VAL B 52 4.663 7.773 7.210 1.00 20.22 C ATOM 1829 CG2 VAL B 52 2.981 9.686 7.196 1.00 63.11 C ATOM 0 H VAL B 52 0.686 8.578 7.334 1.00 2.02 H new ATOM 0 HA VAL B 52 2.530 7.289 5.583 1.00 2.33 H new ATOM 0 HB VAL B 52 2.974 8.002 8.518 1.00 33.22 H new ATOM 0 HG11 VAL B 52 5.324 8.402 7.806 1.00 20.22 H new ATOM 0 HG12 VAL B 52 4.805 6.729 7.491 1.00 20.22 H new ATOM 0 HG13 VAL B 52 4.897 7.899 6.153 1.00 20.22 H new ATOM 0 HG21 VAL B 52 3.683 10.266 7.795 1.00 63.11 H new ATOM 0 HG22 VAL B 52 3.148 9.894 6.139 1.00 63.11 H new ATOM 0 HG23 VAL B 52 1.961 9.963 7.463 1.00 63.11 H new ATOM 1839 N GLU B 53 1.622 5.670 8.378 1.00 71.33 N ATOM 1840 CA GLU B 53 1.553 4.370 9.100 1.00 21.11 C ATOM 1841 C GLU B 53 0.885 3.251 8.258 1.00 33.41 C ATOM 1842 O GLU B 53 1.262 2.083 8.362 1.00 13.11 O ATOM 1843 CB GLU B 53 0.782 4.553 10.439 1.00 32.11 C ATOM 1844 CG GLU B 53 1.459 5.473 11.475 1.00 65.23 C ATOM 1845 CD GLU B 53 2.783 4.901 12.015 1.00 1.30 C ATOM 1846 OE1 GLU B 53 2.740 3.896 12.753 1.00 12.11 O ATOM 1847 OE2 GLU B 53 3.862 5.455 11.716 1.00 24.15 O ATOM 0 H GLU B 53 1.167 6.432 8.880 1.00 71.33 H new ATOM 0 HA GLU B 53 2.578 4.056 9.295 1.00 21.11 H new ATOM 0 HB2 GLU B 53 -0.208 4.952 10.217 1.00 32.11 H new ATOM 0 HB3 GLU B 53 0.636 3.572 10.891 1.00 32.11 H new ATOM 0 HG2 GLU B 53 1.649 6.445 11.020 1.00 65.23 H new ATOM 0 HG3 GLU B 53 0.775 5.638 12.307 1.00 65.23 H new ATOM 1854 N ILE B 54 -0.116 3.628 7.441 1.00 25.44 N ATOM 1855 CA ILE B 54 -0.804 2.701 6.516 1.00 21.23 C ATOM 1856 C ILE B 54 0.178 2.176 5.439 1.00 53.54 C ATOM 1857 O ILE B 54 0.263 0.968 5.228 1.00 42.35 O ATOM 1858 CB ILE B 54 -2.048 3.385 5.826 1.00 52.51 C ATOM 1859 CG1 ILE B 54 -3.089 3.854 6.895 1.00 54.14 C ATOM 1860 CG2 ILE B 54 -2.711 2.443 4.782 1.00 51.32 C ATOM 1861 CD1 ILE B 54 -4.225 4.715 6.369 1.00 11.10 C ATOM 0 H ILE B 54 -0.472 4.583 7.402 1.00 25.44 H new ATOM 0 HA ILE B 54 -1.167 1.860 7.107 1.00 21.23 H new ATOM 0 HB ILE B 54 -1.687 4.264 5.292 1.00 52.51 H new ATOM 0 HG12 ILE B 54 -3.516 2.972 7.372 1.00 54.14 H new ATOM 0 HG13 ILE B 54 -2.562 4.412 7.669 1.00 54.14 H new ATOM 0 HG21 ILE B 54 -3.564 2.947 4.327 1.00 51.32 H new ATOM 0 HG22 ILE B 54 -1.986 2.188 4.009 1.00 51.32 H new ATOM 0 HG23 ILE B 54 -3.049 1.532 5.277 1.00 51.32 H new ATOM 0 HD11 ILE B 54 -4.888 4.985 7.191 1.00 11.10 H new ATOM 0 HD12 ILE B 54 -3.817 5.621 5.920 1.00 11.10 H new ATOM 0 HD13 ILE B 54 -4.786 4.158 5.618 1.00 11.10 H new ATOM 1873 N LEU B 55 0.930 3.106 4.796 1.00 25.53 N ATOM 1874 CA LEU B 55 1.976 2.763 3.788 1.00 52.22 C ATOM 1875 C LEU B 55 2.976 1.729 4.343 1.00 25.34 C ATOM 1876 O LEU B 55 3.294 0.735 3.689 1.00 21.13 O ATOM 1877 CB LEU B 55 2.765 4.037 3.364 1.00 72.23 C ATOM 1878 CG LEU B 55 1.937 5.188 2.725 1.00 35.30 C ATOM 1879 CD1 LEU B 55 2.818 6.431 2.450 1.00 52.34 C ATOM 1880 CD2 LEU B 55 1.219 4.706 1.451 1.00 15.12 C ATOM 0 H LEU B 55 0.832 4.108 4.957 1.00 25.53 H new ATOM 0 HA LEU B 55 1.463 2.337 2.926 1.00 52.22 H new ATOM 0 HB2 LEU B 55 3.274 4.431 4.244 1.00 72.23 H new ATOM 0 HB3 LEU B 55 3.538 3.739 2.655 1.00 72.23 H new ATOM 0 HG LEU B 55 1.172 5.489 3.441 1.00 35.30 H new ATOM 0 HD11 LEU B 55 2.209 7.217 2.003 1.00 52.34 H new ATOM 0 HD12 LEU B 55 3.244 6.790 3.387 1.00 52.34 H new ATOM 0 HD13 LEU B 55 3.623 6.162 1.766 1.00 52.34 H new ATOM 0 HD21 LEU B 55 0.647 5.529 1.023 1.00 15.12 H new ATOM 0 HD22 LEU B 55 1.956 4.361 0.726 1.00 15.12 H new ATOM 0 HD23 LEU B 55 0.545 3.887 1.701 1.00 15.12 H new ATOM 1892 N GLN B 56 3.430 1.987 5.583 1.00 43.00 N ATOM 1893 CA GLN B 56 4.397 1.136 6.288 1.00 3.35 C ATOM 1894 C GLN B 56 3.803 -0.269 6.586 1.00 5.03 C ATOM 1895 O GLN B 56 4.462 -1.270 6.344 1.00 21.51 O ATOM 1896 CB GLN B 56 4.844 1.822 7.602 1.00 23.42 C ATOM 1897 CG GLN B 56 5.375 3.265 7.437 1.00 1.05 C ATOM 1898 CD GLN B 56 5.735 3.940 8.765 1.00 20.35 C ATOM 1899 OE1 GLN B 56 5.185 3.619 9.809 1.00 45.03 O ATOM 1900 NE2 GLN B 56 6.645 4.891 8.734 1.00 62.42 N ATOM 0 H GLN B 56 3.132 2.798 6.125 1.00 43.00 H new ATOM 0 HA GLN B 56 5.264 0.999 5.642 1.00 3.35 H new ATOM 0 HB2 GLN B 56 4.000 1.838 8.291 1.00 23.42 H new ATOM 0 HB3 GLN B 56 5.622 1.215 8.065 1.00 23.42 H new ATOM 0 HG2 GLN B 56 6.257 3.248 6.796 1.00 1.05 H new ATOM 0 HG3 GLN B 56 4.622 3.865 6.926 1.00 1.05 H new ATOM 0 HE21 GLN B 56 7.091 5.142 7.851 1.00 62.42 H new ATOM 0 HE22 GLN B 56 6.904 5.377 9.593 1.00 62.42 H new ATOM 1909 N ARG B 57 2.541 -0.316 7.089 1.00 43.11 N ATOM 1910 CA ARG B 57 1.821 -1.593 7.388 1.00 4.22 C ATOM 1911 C ARG B 57 1.545 -2.434 6.117 1.00 63.32 C ATOM 1912 O ARG B 57 1.455 -3.660 6.207 1.00 4.21 O ATOM 1913 CB ARG B 57 0.482 -1.338 8.168 1.00 64.04 C ATOM 1914 CG ARG B 57 0.557 -1.502 9.713 1.00 52.03 C ATOM 1915 CD ARG B 57 1.350 -0.397 10.441 1.00 74.20 C ATOM 1916 NE ARG B 57 2.808 -0.503 10.260 1.00 22.02 N ATOM 1917 CZ ARG B 57 3.688 0.393 10.649 1.00 33.20 C ATOM 1918 NH1 ARG B 57 3.322 1.534 11.139 1.00 25.13 N ATOM 1919 NH2 ARG B 57 4.943 0.144 10.501 1.00 73.23 N ATOM 0 H ARG B 57 1.994 0.519 7.299 1.00 43.11 H new ATOM 0 HA ARG B 57 2.491 -2.169 8.026 1.00 4.22 H new ATOM 0 HB2 ARG B 57 0.140 -0.327 7.945 1.00 64.04 H new ATOM 0 HB3 ARG B 57 -0.275 -2.022 7.785 1.00 64.04 H new ATOM 0 HG2 ARG B 57 -0.457 -1.525 10.112 1.00 52.03 H new ATOM 0 HG3 ARG B 57 1.011 -2.466 9.941 1.00 52.03 H new ATOM 0 HD2 ARG B 57 1.017 0.576 10.080 1.00 74.20 H new ATOM 0 HD3 ARG B 57 1.120 -0.438 11.506 1.00 74.20 H new ATOM 0 HE ARG B 57 3.163 -1.339 9.796 1.00 22.02 H new ATOM 0 HH11 ARG B 57 2.331 1.755 11.231 1.00 25.13 H new ATOM 0 HH12 ARG B 57 4.025 2.212 11.433 1.00 25.13 H new ATOM 0 HH21 ARG B 57 5.242 -0.739 10.087 1.00 73.23 H new ATOM 0 HH22 ARG B 57 5.637 0.830 10.798 1.00 73.23 H new ATOM 1933 N VAL B 58 1.376 -1.764 4.958 1.00 31.41 N ATOM 1934 CA VAL B 58 1.277 -2.455 3.651 1.00 41.21 C ATOM 1935 C VAL B 58 2.608 -3.173 3.337 1.00 5.32 C ATOM 1936 O VAL B 58 2.617 -4.339 2.960 1.00 74.22 O ATOM 1937 CB VAL B 58 0.915 -1.476 2.471 1.00 32.44 C ATOM 1938 CG1 VAL B 58 0.972 -2.206 1.107 1.00 70.15 C ATOM 1939 CG2 VAL B 58 -0.471 -0.818 2.687 1.00 21.43 C ATOM 0 H VAL B 58 1.305 -0.748 4.898 1.00 31.41 H new ATOM 0 HA VAL B 58 0.466 -3.178 3.733 1.00 41.21 H new ATOM 0 HB VAL B 58 1.661 -0.682 2.462 1.00 32.44 H new ATOM 0 HG11 VAL B 58 0.718 -1.508 0.310 1.00 70.15 H new ATOM 0 HG12 VAL B 58 1.978 -2.593 0.943 1.00 70.15 H new ATOM 0 HG13 VAL B 58 0.261 -3.032 1.106 1.00 70.15 H new ATOM 0 HG21 VAL B 58 -0.690 -0.149 1.855 1.00 21.43 H new ATOM 0 HG22 VAL B 58 -1.237 -1.592 2.741 1.00 21.43 H new ATOM 0 HG23 VAL B 58 -0.463 -0.250 3.617 1.00 21.43 H new ATOM 1949 N ILE B 59 3.722 -2.452 3.517 1.00 25.22 N ATOM 1950 CA ILE B 59 5.082 -2.999 3.311 1.00 71.31 C ATOM 1951 C ILE B 59 5.369 -4.164 4.308 1.00 53.04 C ATOM 1952 O ILE B 59 5.969 -5.162 3.930 1.00 34.35 O ATOM 1953 CB ILE B 59 6.156 -1.854 3.440 1.00 2.14 C ATOM 1954 CG1 ILE B 59 5.852 -0.716 2.403 1.00 60.40 C ATOM 1955 CG2 ILE B 59 7.599 -2.394 3.261 1.00 31.24 C ATOM 1956 CD1 ILE B 59 6.646 0.568 2.585 1.00 41.31 C ATOM 0 H ILE B 59 3.713 -1.475 3.809 1.00 25.22 H new ATOM 0 HA ILE B 59 5.144 -3.409 2.303 1.00 71.31 H new ATOM 0 HB ILE B 59 6.092 -1.443 4.448 1.00 2.14 H new ATOM 0 HG12 ILE B 59 6.043 -1.101 1.401 1.00 60.40 H new ATOM 0 HG13 ILE B 59 4.790 -0.476 2.455 1.00 60.40 H new ATOM 0 HG21 ILE B 59 8.309 -1.573 3.357 1.00 31.24 H new ATOM 0 HG22 ILE B 59 7.805 -3.143 4.026 1.00 31.24 H new ATOM 0 HG23 ILE B 59 7.698 -2.846 2.274 1.00 31.24 H new ATOM 0 HD11 ILE B 59 6.358 1.286 1.817 1.00 41.31 H new ATOM 0 HD12 ILE B 59 6.439 0.988 3.569 1.00 41.31 H new ATOM 0 HD13 ILE B 59 7.711 0.352 2.499 1.00 41.31 H new ATOM 1968 N ASP B 60 4.885 -4.032 5.563 1.00 63.22 N ATOM 1969 CA ASP B 60 5.002 -5.096 6.600 1.00 53.44 C ATOM 1970 C ASP B 60 4.150 -6.341 6.239 1.00 24.45 C ATOM 1971 O ASP B 60 4.531 -7.466 6.552 1.00 71.15 O ATOM 1972 CB ASP B 60 4.578 -4.558 7.992 1.00 50.14 C ATOM 1973 CG ASP B 60 5.418 -3.362 8.478 1.00 33.01 C ATOM 1974 OD1 ASP B 60 6.659 -3.383 8.324 1.00 53.41 O ATOM 1975 OD2 ASP B 60 4.846 -2.415 9.054 1.00 61.32 O ATOM 0 H ASP B 60 4.405 -3.194 5.890 1.00 63.22 H new ATOM 0 HA ASP B 60 6.049 -5.396 6.636 1.00 53.44 H new ATOM 0 HB2 ASP B 60 3.530 -4.262 7.953 1.00 50.14 H new ATOM 0 HB3 ASP B 60 4.654 -5.364 8.722 1.00 50.14 H new ATOM 1980 N TYR B 61 2.987 -6.098 5.607 1.00 64.31 N ATOM 1981 CA TYR B 61 2.095 -7.150 5.046 1.00 44.44 C ATOM 1982 C TYR B 61 2.839 -7.980 3.971 1.00 72.30 C ATOM 1983 O TYR B 61 2.816 -9.211 3.998 1.00 35.43 O ATOM 1984 CB TYR B 61 0.817 -6.469 4.454 1.00 30.00 C ATOM 1985 CG TYR B 61 -0.091 -7.342 3.565 1.00 71.05 C ATOM 1986 CD1 TYR B 61 -1.049 -8.200 4.115 1.00 53.33 C ATOM 1987 CD2 TYR B 61 0.000 -7.290 2.163 1.00 41.14 C ATOM 1988 CE1 TYR B 61 -1.872 -8.968 3.312 1.00 73.11 C ATOM 1989 CE2 TYR B 61 -0.823 -8.060 1.363 1.00 23.32 C ATOM 1990 CZ TYR B 61 -1.757 -8.894 1.943 1.00 65.11 C ATOM 1991 OH TYR B 61 -2.585 -9.655 1.153 1.00 53.23 O ATOM 0 H TYR B 61 2.628 -5.154 5.466 1.00 64.31 H new ATOM 0 HA TYR B 61 1.797 -7.838 5.837 1.00 44.44 H new ATOM 0 HB2 TYR B 61 0.218 -6.092 5.283 1.00 30.00 H new ATOM 0 HB3 TYR B 61 1.133 -5.604 3.870 1.00 30.00 H new ATOM 0 HD1 TYR B 61 -1.148 -8.264 5.189 1.00 53.33 H new ATOM 0 HD2 TYR B 61 0.726 -6.636 1.703 1.00 41.14 H new ATOM 0 HE1 TYR B 61 -2.604 -9.625 3.759 1.00 73.11 H new ATOM 0 HE2 TYR B 61 -0.735 -8.009 0.288 1.00 23.32 H new ATOM 0 HH TYR B 61 -3.439 -9.793 1.613 1.00 53.23 H new ATOM 2001 N ILE B 62 3.511 -7.269 3.048 1.00 11.44 N ATOM 2002 CA ILE B 62 4.302 -7.880 1.956 1.00 33.34 C ATOM 2003 C ILE B 62 5.480 -8.719 2.532 1.00 20.12 C ATOM 2004 O ILE B 62 5.655 -9.884 2.174 1.00 55.02 O ATOM 2005 CB ILE B 62 4.860 -6.772 0.978 1.00 62.41 C ATOM 2006 CG1 ILE B 62 3.701 -5.864 0.442 1.00 51.21 C ATOM 2007 CG2 ILE B 62 5.651 -7.401 -0.199 1.00 22.41 C ATOM 2008 CD1 ILE B 62 4.149 -4.635 -0.343 1.00 63.33 C ATOM 0 H ILE B 62 3.523 -6.249 3.036 1.00 11.44 H new ATOM 0 HA ILE B 62 3.641 -8.541 1.395 1.00 33.34 H new ATOM 0 HB ILE B 62 5.549 -6.149 1.547 1.00 62.41 H new ATOM 0 HG12 ILE B 62 3.054 -6.467 -0.196 1.00 51.21 H new ATOM 0 HG13 ILE B 62 3.098 -5.535 1.288 1.00 51.21 H new ATOM 0 HG21 ILE B 62 6.021 -6.611 -0.852 1.00 22.41 H new ATOM 0 HG22 ILE B 62 6.493 -7.972 0.192 1.00 22.41 H new ATOM 0 HG23 ILE B 62 4.996 -8.063 -0.765 1.00 22.41 H new ATOM 0 HD11 ILE B 62 3.274 -4.073 -0.670 1.00 63.33 H new ATOM 0 HD12 ILE B 62 4.769 -4.003 0.293 1.00 63.33 H new ATOM 0 HD13 ILE B 62 4.725 -4.949 -1.214 1.00 63.33 H new ATOM 2020 N LEU B 63 6.248 -8.102 3.448 1.00 43.35 N ATOM 2021 CA LEU B 63 7.398 -8.743 4.128 1.00 31.52 C ATOM 2022 C LEU B 63 6.966 -9.960 4.986 1.00 13.54 C ATOM 2023 O LEU B 63 7.720 -10.918 5.120 1.00 75.32 O ATOM 2024 CB LEU B 63 8.138 -7.703 5.014 1.00 4.12 C ATOM 2025 CG LEU B 63 8.817 -6.517 4.253 1.00 72.34 C ATOM 2026 CD1 LEU B 63 9.364 -5.460 5.239 1.00 30.14 C ATOM 2027 CD2 LEU B 63 9.921 -7.027 3.297 1.00 51.42 C ATOM 0 H LEU B 63 6.091 -7.138 3.742 1.00 43.35 H new ATOM 0 HA LEU B 63 8.071 -9.112 3.354 1.00 31.52 H new ATOM 0 HB2 LEU B 63 7.425 -7.290 5.728 1.00 4.12 H new ATOM 0 HB3 LEU B 63 8.902 -8.224 5.591 1.00 4.12 H new ATOM 0 HG LEU B 63 8.055 -6.031 3.644 1.00 72.34 H new ATOM 0 HD11 LEU B 63 9.830 -4.648 4.681 1.00 30.14 H new ATOM 0 HD12 LEU B 63 8.545 -5.064 5.839 1.00 30.14 H new ATOM 0 HD13 LEU B 63 10.103 -5.921 5.894 1.00 30.14 H new ATOM 0 HD21 LEU B 63 10.375 -6.181 2.782 1.00 51.42 H new ATOM 0 HD22 LEU B 63 10.683 -7.555 3.870 1.00 51.42 H new ATOM 0 HD23 LEU B 63 9.483 -7.705 2.565 1.00 51.42 H new ATOM 2039 N ASP B 64 5.748 -9.904 5.548 1.00 14.44 N ATOM 2040 CA ASP B 64 5.166 -11.016 6.335 1.00 32.43 C ATOM 2041 C ASP B 64 4.927 -12.261 5.438 1.00 62.35 C ATOM 2042 O ASP B 64 5.177 -13.397 5.858 1.00 1.32 O ATOM 2043 CB ASP B 64 3.855 -10.551 7.014 1.00 5.03 C ATOM 2044 CG ASP B 64 3.235 -11.596 7.961 1.00 44.32 C ATOM 2045 OD1 ASP B 64 3.737 -11.754 9.091 1.00 13.42 O ATOM 2046 OD2 ASP B 64 2.249 -12.255 7.580 1.00 55.43 O ATOM 0 H ASP B 64 5.136 -9.091 5.473 1.00 14.44 H new ATOM 0 HA ASP B 64 5.872 -11.306 7.113 1.00 32.43 H new ATOM 0 HB2 ASP B 64 4.053 -9.638 7.576 1.00 5.03 H new ATOM 0 HB3 ASP B 64 3.128 -10.298 6.242 1.00 5.03 H new ATOM 2051 N LEU B 65 4.468 -12.012 4.197 1.00 54.41 N ATOM 2052 CA LEU B 65 4.251 -13.069 3.176 1.00 2.23 C ATOM 2053 C LEU B 65 5.591 -13.666 2.669 1.00 45.31 C ATOM 2054 O LEU B 65 5.735 -14.886 2.534 1.00 73.35 O ATOM 2055 CB LEU B 65 3.455 -12.483 1.975 1.00 64.55 C ATOM 2056 CG LEU B 65 2.065 -11.852 2.314 1.00 61.45 C ATOM 2057 CD1 LEU B 65 1.401 -11.228 1.064 1.00 11.52 C ATOM 2058 CD2 LEU B 65 1.134 -12.880 2.998 1.00 13.14 C ATOM 0 H LEU B 65 4.236 -11.075 3.868 1.00 54.41 H new ATOM 0 HA LEU B 65 3.683 -13.872 3.646 1.00 2.23 H new ATOM 0 HB2 LEU B 65 4.070 -11.722 1.495 1.00 64.55 H new ATOM 0 HB3 LEU B 65 3.302 -13.277 1.244 1.00 64.55 H new ATOM 0 HG LEU B 65 2.238 -11.043 3.023 1.00 61.45 H new ATOM 0 HD11 LEU B 65 0.437 -10.800 1.339 1.00 11.52 H new ATOM 0 HD12 LEU B 65 2.045 -10.445 0.663 1.00 11.52 H new ATOM 0 HD13 LEU B 65 1.253 -11.999 0.308 1.00 11.52 H new ATOM 0 HD21 LEU B 65 0.176 -12.411 3.221 1.00 13.14 H new ATOM 0 HD22 LEU B 65 0.977 -13.728 2.332 1.00 13.14 H new ATOM 0 HD23 LEU B 65 1.593 -13.226 3.924 1.00 13.14 H new ATOM 2070 N GLN B 66 6.554 -12.769 2.388 1.00 3.02 N ATOM 2071 CA GLN B 66 7.871 -13.122 1.793 1.00 4.24 C ATOM 2072 C GLN B 66 8.787 -13.912 2.764 1.00 21.52 C ATOM 2073 O GLN B 66 9.326 -14.967 2.408 1.00 21.53 O ATOM 2074 CB GLN B 66 8.604 -11.832 1.328 1.00 33.31 C ATOM 2075 CG GLN B 66 7.892 -11.046 0.203 1.00 62.33 C ATOM 2076 CD GLN B 66 8.578 -9.714 -0.142 1.00 52.22 C ATOM 2077 OE1 GLN B 66 9.184 -9.075 0.707 1.00 14.31 O ATOM 2078 NE2 GLN B 66 8.479 -9.274 -1.379 1.00 35.12 N ATOM 0 H GLN B 66 6.447 -11.770 2.566 1.00 3.02 H new ATOM 0 HA GLN B 66 7.665 -13.773 0.944 1.00 4.24 H new ATOM 0 HB2 GLN B 66 8.729 -11.174 2.188 1.00 33.31 H new ATOM 0 HB3 GLN B 66 9.603 -12.103 0.986 1.00 33.31 H new ATOM 0 HG2 GLN B 66 7.849 -11.666 -0.692 1.00 62.33 H new ATOM 0 HG3 GLN B 66 6.863 -10.849 0.503 1.00 62.33 H new ATOM 0 HE21 GLN B 66 7.970 -9.819 -2.075 1.00 35.12 H new ATOM 0 HE22 GLN B 66 8.911 -8.388 -1.641 1.00 35.12 H new ATOM 2087 N VAL B 67 8.968 -13.371 3.978 1.00 34.41 N ATOM 2088 CA VAL B 67 9.923 -13.907 4.980 1.00 34.32 C ATOM 2089 C VAL B 67 9.379 -15.181 5.673 1.00 71.25 C ATOM 2090 O VAL B 67 8.253 -15.193 6.184 1.00 71.34 O ATOM 2091 CB VAL B 67 10.274 -12.811 6.060 1.00 1.42 C ATOM 2092 CG1 VAL B 67 11.208 -13.353 7.172 1.00 4.40 C ATOM 2093 CG2 VAL B 67 10.879 -11.555 5.385 1.00 61.23 C ATOM 0 H VAL B 67 8.459 -12.548 4.301 1.00 34.41 H new ATOM 0 HA VAL B 67 10.831 -14.181 4.443 1.00 34.32 H new ATOM 0 HB VAL B 67 9.341 -12.529 6.548 1.00 1.42 H new ATOM 0 HG11 VAL B 67 11.419 -12.560 7.889 1.00 4.40 H new ATOM 0 HG12 VAL B 67 10.722 -14.184 7.683 1.00 4.40 H new ATOM 0 HG13 VAL B 67 12.142 -13.697 6.727 1.00 4.40 H new ATOM 0 HG21 VAL B 67 11.114 -10.811 6.146 1.00 61.23 H new ATOM 0 HG22 VAL B 67 11.790 -11.831 4.853 1.00 61.23 H new ATOM 0 HG23 VAL B 67 10.159 -11.138 4.680 1.00 61.23 H new ATOM 2103 N VAL B 68 10.205 -16.246 5.672 1.00 24.42 N ATOM 2104 CA VAL B 68 9.916 -17.513 6.380 1.00 4.41 C ATOM 2105 C VAL B 68 10.449 -17.438 7.851 1.00 12.31 C ATOM 2106 O VAL B 68 9.637 -17.246 8.779 1.00 36.97 O ATOM 2107 CB VAL B 68 10.550 -18.746 5.620 1.00 34.01 C ATOM 2108 CG1 VAL B 68 10.147 -20.090 6.281 1.00 11.42 C ATOM 2109 CG2 VAL B 68 10.196 -18.717 4.110 1.00 5.22 C ATOM 2110 OXT VAL B 68 11.682 -17.533 8.054 1.00 36.97 O ATOM 0 H VAL B 68 11.097 -16.253 5.178 1.00 24.42 H new ATOM 0 HA VAL B 68 8.836 -17.656 6.403 1.00 4.41 H new ATOM 0 HB VAL B 68 11.634 -18.663 5.701 1.00 34.01 H new ATOM 0 HG11 VAL B 68 10.601 -20.916 5.733 1.00 11.42 H new ATOM 0 HG12 VAL B 68 10.495 -20.106 7.314 1.00 11.42 H new ATOM 0 HG13 VAL B 68 9.062 -20.194 6.262 1.00 11.42 H new ATOM 0 HG21 VAL B 68 10.646 -19.577 3.614 1.00 5.22 H new ATOM 0 HG22 VAL B 68 9.113 -18.754 3.989 1.00 5.22 H new ATOM 0 HG23 VAL B 68 10.580 -17.799 3.664 1.00 5.22 H new