USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=16 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 29 MET CE :methyl 170:sc= -0.314 (180deg=-0.446) USER MOD Set 1.2: A 33 TYR OH : rot -130:sc= 0.706 USER MOD Set 1.3: B 33 TYR OH : rot 87:sc= 0.79 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc=-0.00927 X(o=-0.0093,f=0) USER MOD Single : A 32 CYS SG : rot 75:sc= 0.562 USER MOD Single : A 34 SER OG : rot -31:sc= 0.221 USER MOD Single : A 47 THR OG1 : rot 83:sc= 0.176 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0073 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.21) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.2!) USER MOD Single : B 29 MET CE :methyl 162:sc= -0.0469 (180deg=-0.361) USER MOD Single : B 30 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.5!) USER MOD Single : B 31 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : B 32 CYS SG : rot 83:sc= 0.851 USER MOD Single : B 34 SER OG : rot 71:sc= 0.541 USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 50 SER OG : rot 0:sc= 0.74 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 GLN :FLIP amide:sc= -0.204 F(o=-2.1!,f=-0.2) USER MOD Single : B 61 TYR OH : rot 30:sc= 0 USER MOD Single : B 66 GLN :FLIP amide:sc= -0.83 F(o=-4.7!,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 371 N ASP A 27 10.219 14.012 3.702 1.00 43.01 N ATOM 372 CA ASP A 27 9.616 13.119 2.682 1.00 13.43 C ATOM 373 C ASP A 27 9.408 11.659 3.191 1.00 3.54 C ATOM 374 O ASP A 27 9.620 10.711 2.446 1.00 52.54 O ATOM 375 CB ASP A 27 10.512 13.145 1.409 1.00 13.23 C ATOM 376 CG ASP A 27 10.464 14.494 0.684 1.00 74.41 C ATOM 377 OD1 ASP A 27 10.860 15.504 1.287 1.00 21.24 O ATOM 378 OD2 ASP A 27 10.014 14.555 -0.481 1.00 71.24 O ATOM 0 HA ASP A 27 8.618 13.492 2.451 1.00 13.43 H new ATOM 0 HB2 ASP A 27 11.542 12.923 1.689 1.00 13.23 H new ATOM 0 HB3 ASP A 27 10.191 12.358 0.727 1.00 13.23 H new ATOM 383 N ASP A 28 8.902 11.497 4.435 1.00 31.14 N ATOM 384 CA ASP A 28 8.655 10.176 5.056 1.00 23.34 C ATOM 385 C ASP A 28 7.639 9.337 4.238 1.00 72.40 C ATOM 386 O ASP A 28 7.805 8.120 4.089 1.00 53.13 O ATOM 387 CB ASP A 28 8.146 10.375 6.501 1.00 53.31 C ATOM 388 CG ASP A 28 9.128 11.190 7.356 1.00 43.22 C ATOM 389 OD1 ASP A 28 10.104 10.599 7.872 1.00 70.34 O ATOM 390 OD2 ASP A 28 8.946 12.424 7.490 1.00 44.40 O ATOM 0 H ASP A 28 8.653 12.281 5.038 1.00 31.14 H new ATOM 0 HA ASP A 28 9.595 9.624 5.069 1.00 23.34 H new ATOM 0 HB2 ASP A 28 7.181 10.881 6.478 1.00 53.31 H new ATOM 0 HB3 ASP A 28 7.985 9.402 6.965 1.00 53.31 H new ATOM 395 N MET A 29 6.596 10.011 3.706 1.00 4.22 N ATOM 396 CA MET A 29 5.617 9.375 2.801 1.00 24.43 C ATOM 397 C MET A 29 6.282 8.930 1.482 1.00 31.12 C ATOM 398 O MET A 29 6.023 7.839 1.000 1.00 51.25 O ATOM 399 CB MET A 29 4.435 10.324 2.479 1.00 64.14 C ATOM 400 CG MET A 29 3.737 10.934 3.702 1.00 35.52 C ATOM 401 SD MET A 29 2.033 11.418 3.355 1.00 42.55 S ATOM 402 CE MET A 29 1.246 9.812 3.257 1.00 22.52 C ATOM 0 H MET A 29 6.411 10.997 3.889 1.00 4.22 H new ATOM 0 HA MET A 29 5.233 8.499 3.324 1.00 24.43 H new ATOM 0 HB2 MET A 29 4.801 11.134 1.848 1.00 64.14 H new ATOM 0 HB3 MET A 29 3.697 9.774 1.896 1.00 64.14 H new ATOM 0 HG2 MET A 29 3.747 10.213 4.519 1.00 35.52 H new ATOM 0 HG3 MET A 29 4.298 11.806 4.039 1.00 35.52 H new ATOM 0 HE1 MET A 29 0.164 9.938 3.225 1.00 22.52 H new ATOM 0 HE2 MET A 29 1.578 9.298 2.355 1.00 22.52 H new ATOM 0 HE3 MET A 29 1.516 9.220 4.132 1.00 22.52 H new ATOM 412 N ASN A 30 7.144 9.807 0.922 1.00 42.22 N ATOM 413 CA ASN A 30 7.840 9.564 -0.368 1.00 64.02 C ATOM 414 C ASN A 30 8.867 8.404 -0.246 1.00 42.01 C ATOM 415 O ASN A 30 9.113 7.691 -1.215 1.00 14.22 O ATOM 416 CB ASN A 30 8.521 10.877 -0.849 1.00 70.32 C ATOM 417 CG ASN A 30 9.206 10.756 -2.215 1.00 34.22 C ATOM 418 OD1 ASN A 30 10.391 10.453 -2.313 1.00 74.15 O ATOM 419 ND2 ASN A 30 8.465 10.982 -3.280 1.00 70.43 N ATOM 0 H ASN A 30 7.379 10.703 1.348 1.00 42.22 H new ATOM 0 HA ASN A 30 7.104 9.259 -1.112 1.00 64.02 H new ATOM 0 HB2 ASN A 30 7.771 11.667 -0.898 1.00 70.32 H new ATOM 0 HB3 ASN A 30 9.260 11.184 -0.109 1.00 70.32 H new ATOM 0 HD21 ASN A 30 8.874 10.906 -4.211 1.00 70.43 H new ATOM 0 HD22 ASN A 30 7.482 11.233 -3.174 1.00 70.43 H new ATOM 426 N HIS A 31 9.443 8.230 0.960 1.00 61.15 N ATOM 427 CA HIS A 31 10.340 7.091 1.284 1.00 20.24 C ATOM 428 C HIS A 31 9.544 5.761 1.310 1.00 61.14 C ATOM 429 O HIS A 31 10.028 4.721 0.848 1.00 12.24 O ATOM 430 CB HIS A 31 11.048 7.321 2.654 1.00 62.52 C ATOM 431 CG HIS A 31 12.050 8.455 2.693 1.00 61.50 C ATOM 432 ND1 HIS A 31 12.867 8.641 3.786 1.00 52.30 N ATOM 433 CD2 HIS A 31 12.332 9.424 1.777 1.00 24.53 C ATOM 434 CE1 HIS A 31 13.616 9.690 3.509 1.00 21.01 C ATOM 435 NE2 HIS A 31 13.326 10.197 2.310 1.00 40.13 N ATOM 0 H HIS A 31 9.303 8.872 1.740 1.00 61.15 H new ATOM 0 HA HIS A 31 11.101 7.026 0.507 1.00 20.24 H new ATOM 0 HB2 HIS A 31 10.285 7.509 3.409 1.00 62.52 H new ATOM 0 HB3 HIS A 31 11.558 6.400 2.938 1.00 62.52 H new ATOM 0 HD2 HIS A 31 11.861 9.556 0.814 1.00 24.53 H new ATOM 0 HE1 HIS A 31 14.371 10.089 4.171 1.00 21.01 H new ATOM 0 HE2 HIS A 31 13.763 11.008 1.873 1.00 40.13 H new ATOM 443 N CYS A 32 8.320 5.814 1.867 1.00 73.40 N ATOM 444 CA CYS A 32 7.381 4.667 1.854 1.00 15.54 C ATOM 445 C CYS A 32 6.879 4.372 0.415 1.00 32.10 C ATOM 446 O CYS A 32 6.766 3.212 0.014 1.00 11.41 O ATOM 447 CB CYS A 32 6.183 4.943 2.795 1.00 65.12 C ATOM 448 SG CYS A 32 6.631 5.164 4.536 1.00 32.42 S ATOM 0 H CYS A 32 7.953 6.642 2.335 1.00 73.40 H new ATOM 0 HA CYS A 32 7.916 3.788 2.212 1.00 15.54 H new ATOM 0 HB2 CYS A 32 5.665 5.838 2.450 1.00 65.12 H new ATOM 0 HB3 CYS A 32 5.478 4.116 2.717 1.00 65.12 H new ATOM 0 HG CYS A 32 7.168 6.336 4.700 1.00 32.42 H new ATOM 454 N TYR A 33 6.617 5.448 -0.352 1.00 22.00 N ATOM 455 CA TYR A 33 6.083 5.373 -1.730 1.00 51.50 C ATOM 456 C TYR A 33 7.121 4.834 -2.732 1.00 60.30 C ATOM 457 O TYR A 33 6.763 4.083 -3.641 1.00 73.53 O ATOM 458 CB TYR A 33 5.555 6.764 -2.194 1.00 42.13 C ATOM 459 CG TYR A 33 4.121 7.090 -1.732 1.00 41.10 C ATOM 460 CD1 TYR A 33 3.097 6.160 -1.912 1.00 44.52 C ATOM 461 CD2 TYR A 33 3.785 8.317 -1.149 1.00 63.14 C ATOM 462 CE1 TYR A 33 1.804 6.436 -1.541 1.00 13.44 C ATOM 463 CE2 TYR A 33 2.486 8.594 -0.767 1.00 54.21 C ATOM 464 CZ TYR A 33 1.502 7.649 -0.963 1.00 61.24 C ATOM 465 OH TYR A 33 0.212 7.925 -0.585 1.00 40.14 O ATOM 0 H TYR A 33 6.771 6.404 -0.031 1.00 22.00 H new ATOM 0 HA TYR A 33 5.254 4.666 -1.710 1.00 51.50 H new ATOM 0 HB2 TYR A 33 6.228 7.537 -1.821 1.00 42.13 H new ATOM 0 HB3 TYR A 33 5.591 6.808 -3.283 1.00 42.13 H new ATOM 0 HD1 TYR A 33 3.326 5.201 -2.353 1.00 44.52 H new ATOM 0 HD2 TYR A 33 4.554 9.060 -0.995 1.00 63.14 H new ATOM 0 HE1 TYR A 33 1.026 5.704 -1.702 1.00 13.44 H new ATOM 0 HE2 TYR A 33 2.243 9.546 -0.317 1.00 54.21 H new ATOM 0 HH TYR A 33 -0.053 8.799 -0.941 1.00 40.14 H new ATOM 475 N SER A 34 8.395 5.230 -2.568 1.00 54.45 N ATOM 476 CA SER A 34 9.507 4.742 -3.417 1.00 52.32 C ATOM 477 C SER A 34 9.701 3.228 -3.217 1.00 53.41 C ATOM 478 O SER A 34 9.910 2.487 -4.178 1.00 24.11 O ATOM 479 CB SER A 34 10.820 5.493 -3.094 1.00 71.13 C ATOM 480 OG SER A 34 11.212 5.302 -1.738 1.00 21.45 O ATOM 0 H SER A 34 8.687 5.893 -1.850 1.00 54.45 H new ATOM 0 HA SER A 34 9.251 4.935 -4.459 1.00 52.32 H new ATOM 0 HB2 SER A 34 11.612 5.143 -3.755 1.00 71.13 H new ATOM 0 HB3 SER A 34 10.689 6.557 -3.289 1.00 71.13 H new ATOM 0 HG SER A 34 10.415 5.183 -1.181 1.00 21.45 H new ATOM 486 N ARG A 35 9.592 2.795 -1.947 1.00 25.31 N ATOM 487 CA ARG A 35 9.647 1.383 -1.561 1.00 10.33 C ATOM 488 C ARG A 35 8.451 0.583 -2.138 1.00 64.40 C ATOM 489 O ARG A 35 8.629 -0.543 -2.598 1.00 24.44 O ATOM 490 CB ARG A 35 9.715 1.274 -0.029 1.00 2.04 C ATOM 491 CG ARG A 35 10.145 -0.115 0.465 1.00 44.42 C ATOM 492 CD ARG A 35 10.531 -0.110 1.937 1.00 61.40 C ATOM 493 NE ARG A 35 10.951 -1.443 2.397 1.00 50.25 N ATOM 494 CZ ARG A 35 11.372 -1.746 3.605 1.00 32.41 C ATOM 495 NH1 ARG A 35 11.349 -0.884 4.569 1.00 64.45 N ATOM 496 NH2 ARG A 35 11.790 -2.943 3.849 1.00 65.54 N ATOM 0 H ARG A 35 9.462 3.426 -1.156 1.00 25.31 H new ATOM 0 HA ARG A 35 10.547 0.939 -1.986 1.00 10.33 H new ATOM 0 HB2 ARG A 35 10.415 2.019 0.350 1.00 2.04 H new ATOM 0 HB3 ARG A 35 8.737 1.513 0.389 1.00 2.04 H new ATOM 0 HG2 ARG A 35 9.331 -0.822 0.308 1.00 44.42 H new ATOM 0 HG3 ARG A 35 10.990 -0.464 -0.129 1.00 44.42 H new ATOM 0 HD2 ARG A 35 11.341 0.602 2.098 1.00 61.40 H new ATOM 0 HD3 ARG A 35 9.684 0.230 2.533 1.00 61.40 H new ATOM 0 HE ARG A 35 10.912 -2.202 1.716 1.00 50.25 H new ATOM 0 HH11 ARG A 35 10.998 0.059 4.402 1.00 64.45 H new ATOM 0 HH12 ARG A 35 11.682 -1.147 5.496 1.00 64.45 H new ATOM 0 HH21 ARG A 35 11.792 -3.644 3.108 1.00 65.54 H new ATOM 0 HH22 ARG A 35 12.119 -3.188 4.783 1.00 65.54 H new ATOM 510 N LEU A 36 7.244 1.188 -2.124 1.00 24.41 N ATOM 511 CA LEU A 36 6.033 0.587 -2.742 1.00 60.31 C ATOM 512 C LEU A 36 6.217 0.386 -4.269 1.00 33.34 C ATOM 513 O LEU A 36 5.877 -0.667 -4.790 1.00 45.25 O ATOM 514 CB LEU A 36 4.770 1.444 -2.450 1.00 62.04 C ATOM 515 CG LEU A 36 4.259 1.442 -0.972 1.00 73.24 C ATOM 516 CD1 LEU A 36 3.069 2.409 -0.785 1.00 54.41 C ATOM 517 CD2 LEU A 36 3.885 0.009 -0.511 1.00 14.40 C ATOM 0 H LEU A 36 7.078 2.096 -1.691 1.00 24.41 H new ATOM 0 HA LEU A 36 5.890 -0.394 -2.290 1.00 60.31 H new ATOM 0 HB2 LEU A 36 4.981 2.474 -2.738 1.00 62.04 H new ATOM 0 HB3 LEU A 36 3.962 1.093 -3.092 1.00 62.04 H new ATOM 0 HG LEU A 36 5.076 1.796 -0.343 1.00 73.24 H new ATOM 0 HD11 LEU A 36 2.739 2.383 0.253 1.00 54.41 H new ATOM 0 HD12 LEU A 36 3.379 3.422 -1.042 1.00 54.41 H new ATOM 0 HD13 LEU A 36 2.248 2.106 -1.435 1.00 54.41 H new ATOM 0 HD21 LEU A 36 3.533 0.039 0.520 1.00 14.40 H new ATOM 0 HD22 LEU A 36 3.097 -0.385 -1.152 1.00 14.40 H new ATOM 0 HD23 LEU A 36 4.762 -0.635 -0.577 1.00 14.40 H new ATOM 529 N ARG A 37 6.802 1.392 -4.960 1.00 40.21 N ATOM 530 CA ARG A 37 7.143 1.307 -6.416 1.00 51.04 C ATOM 531 C ARG A 37 8.045 0.080 -6.733 1.00 52.24 C ATOM 532 O ARG A 37 8.008 -0.473 -7.834 1.00 64.43 O ATOM 533 CB ARG A 37 7.851 2.599 -6.887 1.00 23.14 C ATOM 534 CG ARG A 37 6.982 3.878 -6.843 1.00 53.25 C ATOM 535 CD ARG A 37 7.785 5.134 -7.218 1.00 12.11 C ATOM 536 NE ARG A 37 6.988 6.372 -7.101 1.00 73.05 N ATOM 537 CZ ARG A 37 7.460 7.577 -6.834 1.00 63.31 C ATOM 538 NH1 ARG A 37 8.732 7.795 -6.679 1.00 32.31 N ATOM 539 NH2 ARG A 37 6.642 8.575 -6.741 1.00 40.43 N ATOM 0 H ARG A 37 7.053 2.284 -4.535 1.00 40.21 H new ATOM 0 HA ARG A 37 6.203 1.187 -6.954 1.00 51.04 H new ATOM 0 HB2 ARG A 37 8.734 2.757 -6.268 1.00 23.14 H new ATOM 0 HB3 ARG A 37 8.201 2.451 -7.909 1.00 23.14 H new ATOM 0 HG2 ARG A 37 6.141 3.768 -7.527 1.00 53.25 H new ATOM 0 HG3 ARG A 37 6.566 3.999 -5.843 1.00 53.25 H new ATOM 0 HD2 ARG A 37 8.661 5.207 -6.573 1.00 12.11 H new ATOM 0 HD3 ARG A 37 8.150 5.036 -8.240 1.00 12.11 H new ATOM 0 HE ARG A 37 5.981 6.289 -7.239 1.00 73.05 H new ATOM 0 HH11 ARG A 37 9.395 7.025 -6.763 1.00 32.31 H new ATOM 0 HH12 ARG A 37 9.067 8.736 -6.473 1.00 32.31 H new ATOM 0 HH21 ARG A 37 5.641 8.428 -6.873 1.00 40.43 H new ATOM 0 HH22 ARG A 37 6.998 9.509 -6.535 1.00 40.43 H new ATOM 553 N GLU A 38 8.836 -0.331 -5.735 1.00 42.11 N ATOM 554 CA GLU A 38 9.783 -1.459 -5.844 1.00 63.21 C ATOM 555 C GLU A 38 9.075 -2.800 -5.512 1.00 2.14 C ATOM 556 O GLU A 38 9.404 -3.846 -6.081 1.00 63.33 O ATOM 557 CB GLU A 38 10.988 -1.212 -4.890 1.00 40.33 C ATOM 558 CG GLU A 38 11.816 0.054 -5.231 1.00 70.13 C ATOM 559 CD GLU A 38 12.932 0.363 -4.215 1.00 61.14 C ATOM 560 OE1 GLU A 38 12.626 0.907 -3.131 1.00 62.12 O ATOM 561 OE2 GLU A 38 14.114 0.054 -4.486 1.00 71.11 O ATOM 0 H GLU A 38 8.840 0.112 -4.816 1.00 42.11 H new ATOM 0 HA GLU A 38 10.151 -1.526 -6.868 1.00 63.21 H new ATOM 0 HB2 GLU A 38 10.617 -1.126 -3.869 1.00 40.33 H new ATOM 0 HB3 GLU A 38 11.645 -2.081 -4.919 1.00 40.33 H new ATOM 0 HG2 GLU A 38 12.261 -0.070 -6.218 1.00 70.13 H new ATOM 0 HG3 GLU A 38 11.144 0.910 -5.290 1.00 70.13 H new ATOM 568 N LEU A 39 8.087 -2.742 -4.593 1.00 1.35 N ATOM 569 CA LEU A 39 7.315 -3.929 -4.139 1.00 40.30 C ATOM 570 C LEU A 39 6.107 -4.252 -5.056 1.00 40.31 C ATOM 571 O LEU A 39 5.468 -5.295 -4.888 1.00 22.11 O ATOM 572 CB LEU A 39 6.840 -3.723 -2.672 1.00 65.15 C ATOM 573 CG LEU A 39 7.966 -3.493 -1.610 1.00 24.30 C ATOM 574 CD1 LEU A 39 7.387 -3.324 -0.189 1.00 43.45 C ATOM 575 CD2 LEU A 39 9.027 -4.619 -1.650 1.00 1.14 C ATOM 0 H LEU A 39 7.799 -1.873 -4.143 1.00 1.35 H new ATOM 0 HA LEU A 39 7.986 -4.786 -4.194 1.00 40.30 H new ATOM 0 HB2 LEU A 39 6.165 -2.868 -2.647 1.00 65.15 H new ATOM 0 HB3 LEU A 39 6.260 -4.596 -2.373 1.00 65.15 H new ATOM 0 HG LEU A 39 8.465 -2.560 -1.873 1.00 24.30 H new ATOM 0 HD11 LEU A 39 8.201 -3.166 0.519 1.00 43.45 H new ATOM 0 HD12 LEU A 39 6.717 -2.464 -0.169 1.00 43.45 H new ATOM 0 HD13 LEU A 39 6.834 -4.222 0.088 1.00 43.45 H new ATOM 0 HD21 LEU A 39 9.792 -4.425 -0.899 1.00 1.14 H new ATOM 0 HD22 LEU A 39 8.549 -5.577 -1.442 1.00 1.14 H new ATOM 0 HD23 LEU A 39 9.488 -4.650 -2.637 1.00 1.14 H new ATOM 587 N VAL A 40 5.784 -3.343 -6.005 1.00 23.03 N ATOM 588 CA VAL A 40 4.731 -3.579 -7.030 1.00 51.14 C ATOM 589 C VAL A 40 5.381 -3.950 -8.401 1.00 43.24 C ATOM 590 O VAL A 40 5.883 -3.068 -9.113 1.00 33.31 O ATOM 591 CB VAL A 40 3.772 -2.331 -7.201 1.00 60.44 C ATOM 592 CG1 VAL A 40 2.611 -2.621 -8.191 1.00 73.20 C ATOM 593 CG2 VAL A 40 3.223 -1.869 -5.831 1.00 63.32 C ATOM 0 H VAL A 40 6.238 -2.433 -6.085 1.00 23.03 H new ATOM 0 HA VAL A 40 4.122 -4.413 -6.681 1.00 51.14 H new ATOM 0 HB VAL A 40 4.366 -1.522 -7.627 1.00 60.44 H new ATOM 0 HG11 VAL A 40 1.978 -1.738 -8.278 1.00 73.20 H new ATOM 0 HG12 VAL A 40 3.021 -2.871 -9.169 1.00 73.20 H new ATOM 0 HG13 VAL A 40 2.018 -3.457 -7.821 1.00 73.20 H new ATOM 0 HG21 VAL A 40 2.567 -1.010 -5.973 1.00 63.32 H new ATOM 0 HG22 VAL A 40 2.662 -2.682 -5.371 1.00 63.32 H new ATOM 0 HG23 VAL A 40 4.053 -1.588 -5.183 1.00 63.32 H new ATOM 603 N PRO A 41 5.403 -5.277 -8.780 1.00 63.42 N ATOM 604 CA PRO A 41 5.955 -5.749 -10.079 1.00 65.43 C ATOM 605 C PRO A 41 5.106 -5.322 -11.313 1.00 35.22 C ATOM 606 O PRO A 41 5.652 -5.122 -12.408 1.00 72.15 O ATOM 607 CB PRO A 41 5.973 -7.309 -9.937 1.00 62.42 C ATOM 608 CG PRO A 41 5.740 -7.580 -8.475 1.00 41.44 C ATOM 609 CD PRO A 41 4.925 -6.421 -7.963 1.00 51.41 C ATOM 0 HA PRO A 41 6.935 -5.311 -10.265 1.00 65.43 H new ATOM 0 HB2 PRO A 41 5.198 -7.768 -10.550 1.00 62.42 H new ATOM 0 HB3 PRO A 41 6.926 -7.722 -10.266 1.00 62.42 H new ATOM 0 HG2 PRO A 41 5.211 -8.522 -8.332 1.00 41.44 H new ATOM 0 HG3 PRO A 41 6.685 -7.660 -7.938 1.00 41.44 H new ATOM 0 HD2 PRO A 41 3.857 -6.591 -8.096 1.00 51.41 H new ATOM 0 HD3 PRO A 41 5.091 -6.252 -6.899 1.00 51.41 H new ATOM 617 N GLY A 42 3.774 -5.203 -11.119 1.00 53.32 N ATOM 618 CA GLY A 42 2.826 -4.901 -12.213 1.00 44.12 C ATOM 619 C GLY A 42 2.755 -3.415 -12.572 1.00 13.01 C ATOM 620 O GLY A 42 1.724 -2.753 -12.380 1.00 4.32 O ATOM 0 H GLY A 42 3.329 -5.313 -10.208 1.00 53.32 H new ATOM 0 HA2 GLY A 42 3.115 -5.466 -13.099 1.00 44.12 H new ATOM 0 HA3 GLY A 42 1.832 -5.244 -11.926 1.00 44.12 H new ATOM 624 N VAL A 43 3.869 -2.892 -13.107 1.00 72.10 N ATOM 625 CA VAL A 43 4.013 -1.480 -13.518 1.00 55.31 C ATOM 626 C VAL A 43 4.640 -1.403 -14.939 1.00 32.20 C ATOM 627 O VAL A 43 5.647 -2.074 -15.198 1.00 53.33 O ATOM 628 CB VAL A 43 4.922 -0.679 -12.501 1.00 65.24 C ATOM 629 CG1 VAL A 43 5.174 0.775 -12.967 1.00 13.11 C ATOM 630 CG2 VAL A 43 4.331 -0.697 -11.067 1.00 51.25 C ATOM 0 H VAL A 43 4.711 -3.444 -13.270 1.00 72.10 H new ATOM 0 HA VAL A 43 3.021 -1.029 -13.526 1.00 55.31 H new ATOM 0 HB VAL A 43 5.884 -1.191 -12.477 1.00 65.24 H new ATOM 0 HG11 VAL A 43 5.803 1.287 -12.238 1.00 13.11 H new ATOM 0 HG12 VAL A 43 5.675 0.765 -13.935 1.00 13.11 H new ATOM 0 HG13 VAL A 43 4.222 1.299 -13.056 1.00 13.11 H new ATOM 0 HG21 VAL A 43 4.984 -0.137 -10.397 1.00 51.25 H new ATOM 0 HG22 VAL A 43 3.341 -0.240 -11.076 1.00 51.25 H new ATOM 0 HG23 VAL A 43 4.252 -1.727 -10.719 1.00 51.25 H new ATOM 640 N PRO A 44 4.045 -0.606 -15.892 1.00 24.20 N ATOM 641 CA PRO A 44 4.709 -0.268 -17.173 1.00 22.21 C ATOM 642 C PRO A 44 5.984 0.589 -16.926 1.00 54.33 C ATOM 643 O PRO A 44 5.906 1.691 -16.357 1.00 43.32 O ATOM 644 CB PRO A 44 3.620 0.511 -17.969 1.00 74.24 C ATOM 645 CG PRO A 44 2.327 0.191 -17.269 1.00 42.03 C ATOM 646 CD PRO A 44 2.689 -0.005 -15.817 1.00 54.50 C ATOM 0 HA PRO A 44 5.058 -1.145 -17.719 1.00 22.21 H new ATOM 0 HB2 PRO A 44 3.818 1.583 -17.964 1.00 74.24 H new ATOM 0 HB3 PRO A 44 3.593 0.197 -19.012 1.00 74.24 H new ATOM 0 HG2 PRO A 44 1.606 1.000 -17.387 1.00 42.03 H new ATOM 0 HG3 PRO A 44 1.869 -0.707 -17.683 1.00 42.03 H new ATOM 0 HD2 PRO A 44 2.695 0.938 -15.271 1.00 54.50 H new ATOM 0 HD3 PRO A 44 1.983 -0.663 -15.310 1.00 54.50 H new ATOM 654 N ARG A 45 7.152 0.059 -17.329 1.00 1.25 N ATOM 655 CA ARG A 45 8.462 0.666 -17.022 1.00 55.32 C ATOM 656 C ARG A 45 8.672 1.971 -17.842 1.00 73.13 C ATOM 657 O ARG A 45 8.898 1.922 -19.056 1.00 35.41 O ATOM 658 CB ARG A 45 9.590 -0.367 -17.307 1.00 43.43 C ATOM 659 CG ARG A 45 10.980 0.019 -16.751 1.00 23.34 C ATOM 660 CD ARG A 45 12.064 -1.023 -17.080 1.00 40.44 C ATOM 661 NE ARG A 45 13.344 -0.723 -16.417 1.00 65.00 N ATOM 662 CZ ARG A 45 14.502 -1.270 -16.710 1.00 0.31 C ATOM 663 NH1 ARG A 45 14.631 -2.108 -17.692 1.00 2.31 N ATOM 664 NH2 ARG A 45 15.540 -0.953 -16.012 1.00 44.34 N ATOM 0 H ARG A 45 7.216 -0.800 -17.875 1.00 1.25 H new ATOM 0 HA ARG A 45 8.494 0.937 -15.967 1.00 55.32 H new ATOM 0 HB2 ARG A 45 9.299 -1.328 -16.883 1.00 43.43 H new ATOM 0 HB3 ARG A 45 9.672 -0.506 -18.385 1.00 43.43 H new ATOM 0 HG2 ARG A 45 11.275 0.985 -17.161 1.00 23.34 H new ATOM 0 HG3 ARG A 45 10.913 0.138 -15.670 1.00 23.34 H new ATOM 0 HD2 ARG A 45 11.721 -2.011 -16.773 1.00 40.44 H new ATOM 0 HD3 ARG A 45 12.215 -1.059 -18.159 1.00 40.44 H new ATOM 0 HE ARG A 45 13.331 -0.032 -15.667 1.00 65.00 H new ATOM 0 HH11 ARG A 45 13.821 -2.357 -18.259 1.00 2.31 H new ATOM 0 HH12 ARG A 45 15.543 -2.517 -17.897 1.00 2.31 H new ATOM 0 HH21 ARG A 45 15.455 -0.286 -15.245 1.00 44.34 H new ATOM 0 HH22 ARG A 45 16.446 -1.369 -16.227 1.00 44.34 H new ATOM 678 N GLY A 46 8.555 3.129 -17.168 1.00 75.43 N ATOM 679 CA GLY A 46 8.673 4.451 -17.817 1.00 11.24 C ATOM 680 C GLY A 46 7.357 5.231 -17.854 1.00 35.43 C ATOM 681 O GLY A 46 7.077 5.950 -18.825 1.00 61.12 O ATOM 0 H GLY A 46 8.377 3.177 -16.165 1.00 75.43 H new ATOM 0 HA2 GLY A 46 9.422 5.041 -17.288 1.00 11.24 H new ATOM 0 HA3 GLY A 46 9.035 4.316 -18.836 1.00 11.24 H new ATOM 685 N THR A 47 6.545 5.089 -16.788 1.00 13.34 N ATOM 686 CA THR A 47 5.269 5.839 -16.623 1.00 0.01 C ATOM 687 C THR A 47 5.473 6.975 -15.560 1.00 64.41 C ATOM 688 O THR A 47 6.442 7.730 -15.676 1.00 22.32 O ATOM 689 CB THR A 47 4.087 4.841 -16.285 1.00 54.02 C ATOM 690 OG1 THR A 47 4.100 3.759 -17.232 1.00 75.15 O ATOM 691 CG2 THR A 47 2.691 5.503 -16.340 1.00 4.54 C ATOM 0 H THR A 47 6.748 4.455 -16.015 1.00 13.34 H new ATOM 0 HA THR A 47 4.982 6.328 -17.554 1.00 0.01 H new ATOM 0 HB THR A 47 4.253 4.497 -15.264 1.00 54.02 H new ATOM 0 HG1 THR A 47 4.753 3.085 -16.950 1.00 75.15 H new ATOM 0 HG21 THR A 47 1.928 4.763 -16.098 1.00 4.54 H new ATOM 0 HG22 THR A 47 2.647 6.319 -15.619 1.00 4.54 H new ATOM 0 HG23 THR A 47 2.513 5.894 -17.342 1.00 4.54 H new ATOM 699 N GLN A 48 4.597 7.107 -14.526 1.00 11.12 N ATOM 700 CA GLN A 48 4.647 8.229 -13.550 1.00 40.03 C ATOM 701 C GLN A 48 4.593 7.692 -12.103 1.00 4.44 C ATOM 702 O GLN A 48 5.628 7.589 -11.438 1.00 75.31 O ATOM 703 CB GLN A 48 3.477 9.225 -13.816 1.00 52.10 C ATOM 704 CG GLN A 48 3.511 9.909 -15.201 1.00 43.43 C ATOM 705 CD GLN A 48 2.300 10.807 -15.477 1.00 40.23 C ATOM 706 OE1 GLN A 48 1.196 10.549 -15.016 1.00 35.30 O ATOM 707 NE2 GLN A 48 2.496 11.869 -16.230 1.00 41.13 N ATOM 0 H GLN A 48 3.843 6.444 -14.347 1.00 11.12 H new ATOM 0 HA GLN A 48 5.589 8.762 -13.677 1.00 40.03 H new ATOM 0 HB2 GLN A 48 2.533 8.690 -13.714 1.00 52.10 H new ATOM 0 HB3 GLN A 48 3.492 9.996 -13.045 1.00 52.10 H new ATOM 0 HG2 GLN A 48 4.420 10.506 -15.279 1.00 43.43 H new ATOM 0 HG3 GLN A 48 3.566 9.142 -15.973 1.00 43.43 H new ATOM 0 HE21 GLN A 48 3.425 12.065 -16.604 1.00 41.13 H new ATOM 0 HE22 GLN A 48 1.719 12.496 -16.440 1.00 41.13 H new ATOM 716 N LEU A 49 3.368 7.331 -11.641 1.00 1.42 N ATOM 717 CA LEU A 49 3.102 6.866 -10.258 1.00 73.24 C ATOM 718 C LEU A 49 3.667 7.842 -9.190 1.00 71.55 C ATOM 719 O LEU A 49 4.628 7.525 -8.479 1.00 42.14 O ATOM 720 CB LEU A 49 3.619 5.412 -10.027 1.00 55.52 C ATOM 721 CG LEU A 49 3.165 4.324 -11.050 1.00 51.21 C ATOM 722 CD1 LEU A 49 3.507 2.910 -10.536 1.00 15.44 C ATOM 723 CD2 LEU A 49 1.665 4.448 -11.397 1.00 1.42 C ATOM 0 H LEU A 49 2.531 7.355 -12.224 1.00 1.42 H new ATOM 0 HA LEU A 49 2.019 6.854 -10.138 1.00 73.24 H new ATOM 0 HB2 LEU A 49 4.709 5.437 -10.022 1.00 55.52 H new ATOM 0 HB3 LEU A 49 3.303 5.095 -9.033 1.00 55.52 H new ATOM 0 HG LEU A 49 3.719 4.492 -11.973 1.00 51.21 H new ATOM 0 HD11 LEU A 49 3.181 2.169 -11.266 1.00 15.44 H new ATOM 0 HD12 LEU A 49 4.584 2.826 -10.390 1.00 15.44 H new ATOM 0 HD13 LEU A 49 2.998 2.734 -9.588 1.00 15.44 H new ATOM 0 HD21 LEU A 49 1.392 3.672 -12.112 1.00 1.42 H new ATOM 0 HD22 LEU A 49 1.071 4.332 -10.490 1.00 1.42 H new ATOM 0 HD23 LEU A 49 1.472 5.428 -11.834 1.00 1.42 H new ATOM 735 N SER A 50 3.079 9.043 -9.118 1.00 61.30 N ATOM 736 CA SER A 50 3.552 10.114 -8.215 1.00 64.23 C ATOM 737 C SER A 50 3.096 9.867 -6.757 1.00 53.44 C ATOM 738 O SER A 50 3.922 9.569 -5.884 1.00 12.44 O ATOM 739 CB SER A 50 3.064 11.498 -8.717 1.00 5.14 C ATOM 740 OG SER A 50 3.571 12.558 -7.914 1.00 44.23 O ATOM 0 H SER A 50 2.267 9.304 -9.678 1.00 61.30 H new ATOM 0 HA SER A 50 4.642 10.104 -8.224 1.00 64.23 H new ATOM 0 HB2 SER A 50 3.379 11.642 -9.751 1.00 5.14 H new ATOM 0 HB3 SER A 50 1.974 11.525 -8.709 1.00 5.14 H new ATOM 0 HG SER A 50 3.245 13.415 -8.260 1.00 44.23 H new ATOM 746 N GLN A 51 1.774 9.969 -6.505 1.00 14.34 N ATOM 747 CA GLN A 51 1.201 9.905 -5.134 1.00 32.33 C ATOM 748 C GLN A 51 0.072 8.840 -5.049 1.00 51.15 C ATOM 749 O GLN A 51 0.283 7.723 -4.560 1.00 55.24 O ATOM 750 CB GLN A 51 0.654 11.313 -4.722 1.00 41.01 C ATOM 751 CG GLN A 51 1.677 12.467 -4.824 1.00 40.44 C ATOM 752 CD GLN A 51 1.045 13.850 -4.622 1.00 11.42 C ATOM 753 OE1 GLN A 51 0.591 14.489 -5.567 1.00 22.32 O ATOM 754 NE2 GLN A 51 0.994 14.316 -3.391 1.00 51.13 N ATOM 0 H GLN A 51 1.075 10.097 -7.236 1.00 14.34 H new ATOM 0 HA GLN A 51 1.991 9.611 -4.443 1.00 32.33 H new ATOM 0 HB2 GLN A 51 -0.204 11.551 -5.351 1.00 41.01 H new ATOM 0 HB3 GLN A 51 0.291 11.259 -3.696 1.00 41.01 H new ATOM 0 HG2 GLN A 51 2.459 12.319 -4.079 1.00 40.44 H new ATOM 0 HG3 GLN A 51 2.158 12.433 -5.802 1.00 40.44 H new ATOM 0 HE21 GLN A 51 1.378 13.767 -2.622 1.00 51.13 H new ATOM 0 HE22 GLN A 51 0.571 15.226 -3.207 1.00 51.13 H new ATOM 763 N VAL A 52 -1.124 9.214 -5.548 1.00 0.14 N ATOM 764 CA VAL A 52 -2.356 8.389 -5.449 1.00 72.35 C ATOM 765 C VAL A 52 -2.318 7.181 -6.414 1.00 63.32 C ATOM 766 O VAL A 52 -2.856 6.113 -6.113 1.00 43.14 O ATOM 767 CB VAL A 52 -3.659 9.231 -5.748 1.00 32.24 C ATOM 768 CG1 VAL A 52 -4.900 8.542 -5.142 1.00 3.22 C ATOM 769 CG2 VAL A 52 -3.532 10.687 -5.252 1.00 63.31 C ATOM 0 H VAL A 52 -1.268 10.099 -6.034 1.00 0.14 H new ATOM 0 HA VAL A 52 -2.390 8.030 -4.420 1.00 72.35 H new ATOM 0 HB VAL A 52 -3.782 9.274 -6.830 1.00 32.24 H new ATOM 0 HG11 VAL A 52 -5.788 9.136 -5.358 1.00 3.22 H new ATOM 0 HG12 VAL A 52 -5.013 7.549 -5.577 1.00 3.22 H new ATOM 0 HG13 VAL A 52 -4.776 8.454 -4.063 1.00 3.22 H new ATOM 0 HG21 VAL A 52 -4.450 11.230 -5.478 1.00 63.31 H new ATOM 0 HG22 VAL A 52 -3.364 10.691 -4.175 1.00 63.31 H new ATOM 0 HG23 VAL A 52 -2.693 11.170 -5.752 1.00 63.31 H new ATOM 779 N GLU A 53 -1.687 7.400 -7.579 1.00 72.45 N ATOM 780 CA GLU A 53 -1.477 6.370 -8.629 1.00 72.21 C ATOM 781 C GLU A 53 -0.828 5.083 -8.055 1.00 60.21 C ATOM 782 O GLU A 53 -1.160 3.963 -8.459 1.00 54.52 O ATOM 783 CB GLU A 53 -0.554 6.955 -9.729 1.00 43.21 C ATOM 784 CG GLU A 53 -1.068 8.242 -10.418 1.00 63.11 C ATOM 785 CD GLU A 53 0.028 8.975 -11.219 1.00 21.44 C ATOM 786 OE1 GLU A 53 0.360 8.530 -12.335 1.00 74.51 O ATOM 787 OE2 GLU A 53 0.588 9.977 -10.712 1.00 2.52 O ATOM 0 H GLU A 53 -1.299 8.310 -7.829 1.00 72.45 H new ATOM 0 HA GLU A 53 -2.451 6.101 -9.039 1.00 72.21 H new ATOM 0 HB2 GLU A 53 0.420 7.165 -9.287 1.00 43.21 H new ATOM 0 HB3 GLU A 53 -0.400 6.192 -10.492 1.00 43.21 H new ATOM 0 HG2 GLU A 53 -1.890 7.986 -11.087 1.00 63.11 H new ATOM 0 HG3 GLU A 53 -1.471 8.916 -9.662 1.00 63.11 H new ATOM 794 N ILE A 54 0.107 5.281 -7.109 1.00 51.12 N ATOM 795 CA ILE A 54 0.746 4.193 -6.350 1.00 3.33 C ATOM 796 C ILE A 54 -0.304 3.432 -5.504 1.00 73.32 C ATOM 797 O ILE A 54 -0.448 2.223 -5.659 1.00 54.13 O ATOM 798 CB ILE A 54 1.885 4.756 -5.421 1.00 61.03 C ATOM 799 CG1 ILE A 54 2.983 5.474 -6.270 1.00 31.34 C ATOM 800 CG2 ILE A 54 2.509 3.650 -4.530 1.00 14.45 C ATOM 801 CD1 ILE A 54 4.070 6.158 -5.466 1.00 52.02 C ATOM 0 H ILE A 54 0.443 6.208 -6.848 1.00 51.12 H new ATOM 0 HA ILE A 54 1.192 3.499 -7.063 1.00 3.33 H new ATOM 0 HB ILE A 54 1.429 5.487 -4.753 1.00 61.03 H new ATOM 0 HG12 ILE A 54 3.447 4.741 -6.930 1.00 31.34 H new ATOM 0 HG13 ILE A 54 2.501 6.216 -6.906 1.00 31.34 H new ATOM 0 HG21 ILE A 54 3.290 4.083 -3.906 1.00 14.45 H new ATOM 0 HG22 ILE A 54 1.737 3.215 -3.895 1.00 14.45 H new ATOM 0 HG23 ILE A 54 2.939 2.873 -5.162 1.00 14.45 H new ATOM 0 HD11 ILE A 54 4.784 6.627 -6.144 1.00 52.02 H new ATOM 0 HD12 ILE A 54 3.624 6.919 -4.825 1.00 52.02 H new ATOM 0 HD13 ILE A 54 4.585 5.421 -4.850 1.00 52.02 H new ATOM 813 N LEU A 55 -1.050 4.175 -4.656 1.00 4.14 N ATOM 814 CA LEU A 55 -2.095 3.616 -3.753 1.00 75.42 C ATOM 815 C LEU A 55 -3.089 2.686 -4.492 1.00 33.21 C ATOM 816 O LEU A 55 -3.355 1.568 -4.049 1.00 11.11 O ATOM 817 CB LEU A 55 -2.881 4.771 -3.075 1.00 11.23 C ATOM 818 CG LEU A 55 -2.070 5.706 -2.127 1.00 41.20 C ATOM 819 CD1 LEU A 55 -2.944 6.878 -1.616 1.00 42.31 C ATOM 820 CD2 LEU A 55 -1.470 4.902 -0.953 1.00 63.21 C ATOM 0 H LEU A 55 -0.947 5.187 -4.574 1.00 4.14 H new ATOM 0 HA LEU A 55 -1.578 3.016 -3.004 1.00 75.42 H new ATOM 0 HB2 LEU A 55 -3.328 5.384 -3.858 1.00 11.23 H new ATOM 0 HB3 LEU A 55 -3.701 4.336 -2.504 1.00 11.23 H new ATOM 0 HG LEU A 55 -1.247 6.136 -2.697 1.00 41.20 H new ATOM 0 HD11 LEU A 55 -2.352 7.513 -0.957 1.00 42.31 H new ATOM 0 HD12 LEU A 55 -3.298 7.465 -2.464 1.00 42.31 H new ATOM 0 HD13 LEU A 55 -3.798 6.482 -1.067 1.00 42.31 H new ATOM 0 HD21 LEU A 55 -0.908 5.572 -0.303 1.00 63.21 H new ATOM 0 HD22 LEU A 55 -2.274 4.434 -0.384 1.00 63.21 H new ATOM 0 HD23 LEU A 55 -0.805 4.131 -1.342 1.00 63.21 H new ATOM 832 N GLN A 56 -3.600 3.173 -5.634 1.00 62.34 N ATOM 833 CA GLN A 56 -4.558 2.439 -6.490 1.00 53.04 C ATOM 834 C GLN A 56 -3.972 1.091 -7.002 1.00 30.24 C ATOM 835 O GLN A 56 -4.653 0.057 -6.973 1.00 34.14 O ATOM 836 CB GLN A 56 -4.973 3.341 -7.686 1.00 13.44 C ATOM 837 CG GLN A 56 -5.710 4.645 -7.283 1.00 42.13 C ATOM 838 CD GLN A 56 -6.008 5.591 -8.458 1.00 72.14 C ATOM 839 OE1 GLN A 56 -6.169 5.165 -9.598 1.00 41.33 O ATOM 840 NE2 GLN A 56 -6.111 6.877 -8.187 1.00 0.01 N ATOM 0 H GLN A 56 -3.360 4.096 -5.996 1.00 62.34 H new ATOM 0 HA GLN A 56 -5.434 2.196 -5.889 1.00 53.04 H new ATOM 0 HB2 GLN A 56 -4.080 3.604 -8.253 1.00 13.44 H new ATOM 0 HB3 GLN A 56 -5.616 2.766 -8.352 1.00 13.44 H new ATOM 0 HG2 GLN A 56 -6.649 4.382 -6.796 1.00 42.13 H new ATOM 0 HG3 GLN A 56 -5.107 5.177 -6.547 1.00 42.13 H new ATOM 0 HE21 GLN A 56 -5.973 7.210 -7.233 1.00 0.01 H new ATOM 0 HE22 GLN A 56 -6.328 7.539 -8.932 1.00 0.01 H new ATOM 849 N ARG A 57 -2.695 1.119 -7.454 1.00 13.21 N ATOM 850 CA ARG A 57 -1.987 -0.091 -7.945 1.00 61.30 C ATOM 851 C ARG A 57 -1.555 -1.040 -6.803 1.00 21.53 C ATOM 852 O ARG A 57 -1.367 -2.235 -7.042 1.00 13.44 O ATOM 853 CB ARG A 57 -0.756 0.290 -8.807 1.00 11.54 C ATOM 854 CG ARG A 57 -1.101 0.987 -10.137 1.00 12.05 C ATOM 855 CD ARG A 57 0.118 1.086 -11.069 1.00 34.04 C ATOM 856 NE ARG A 57 -0.212 1.757 -12.337 1.00 32.50 N ATOM 857 CZ ARG A 57 -0.225 1.197 -13.526 1.00 51.32 C ATOM 858 NH1 ARG A 57 0.045 -0.065 -13.678 1.00 73.45 N ATOM 859 NH2 ARG A 57 -0.521 1.913 -14.565 1.00 72.43 N ATOM 0 H ARG A 57 -2.132 1.969 -7.489 1.00 13.21 H new ATOM 0 HA ARG A 57 -2.706 -0.629 -8.563 1.00 61.30 H new ATOM 0 HB2 ARG A 57 -0.109 0.946 -8.224 1.00 11.54 H new ATOM 0 HB3 ARG A 57 -0.185 -0.613 -9.022 1.00 11.54 H new ATOM 0 HG2 ARG A 57 -1.897 0.437 -10.639 1.00 12.05 H new ATOM 0 HG3 ARG A 57 -1.484 1.987 -9.934 1.00 12.05 H new ATOM 0 HD2 ARG A 57 0.916 1.633 -10.566 1.00 34.04 H new ATOM 0 HD3 ARG A 57 0.499 0.086 -11.276 1.00 34.04 H new ATOM 0 HE ARG A 57 -0.453 2.747 -12.288 1.00 32.50 H new ATOM 0 HH11 ARG A 57 0.272 -0.639 -12.866 1.00 73.45 H new ATOM 0 HH12 ARG A 57 0.030 -0.481 -14.609 1.00 73.45 H new ATOM 0 HH21 ARG A 57 -0.741 2.903 -14.456 1.00 72.43 H new ATOM 0 HH22 ARG A 57 -0.533 1.487 -15.491 1.00 72.43 H new ATOM 873 N VAL A 58 -1.374 -0.506 -5.581 1.00 51.14 N ATOM 874 CA VAL A 58 -1.065 -1.329 -4.389 1.00 1.14 C ATOM 875 C VAL A 58 -2.307 -2.154 -3.963 1.00 31.33 C ATOM 876 O VAL A 58 -2.195 -3.339 -3.651 1.00 21.43 O ATOM 877 CB VAL A 58 -0.542 -0.449 -3.187 1.00 24.14 C ATOM 878 CG1 VAL A 58 -0.393 -1.278 -1.898 1.00 25.34 C ATOM 879 CG2 VAL A 58 0.804 0.236 -3.538 1.00 62.33 C ATOM 0 H VAL A 58 -1.436 0.494 -5.389 1.00 51.14 H new ATOM 0 HA VAL A 58 -0.264 -2.015 -4.662 1.00 1.14 H new ATOM 0 HB VAL A 58 -1.290 0.323 -3.009 1.00 24.14 H new ATOM 0 HG11 VAL A 58 -0.031 -0.638 -1.093 1.00 25.34 H new ATOM 0 HG12 VAL A 58 -1.360 -1.697 -1.621 1.00 25.34 H new ATOM 0 HG13 VAL A 58 0.318 -2.087 -2.066 1.00 25.34 H new ATOM 0 HG21 VAL A 58 1.139 0.835 -2.691 1.00 62.33 H new ATOM 0 HG22 VAL A 58 1.552 -0.525 -3.763 1.00 62.33 H new ATOM 0 HG23 VAL A 58 0.669 0.880 -4.407 1.00 62.33 H new ATOM 889 N ILE A 59 -3.488 -1.512 -3.975 1.00 4.20 N ATOM 890 CA ILE A 59 -4.783 -2.192 -3.735 1.00 70.41 C ATOM 891 C ILE A 59 -5.025 -3.280 -4.810 1.00 31.21 C ATOM 892 O ILE A 59 -5.360 -4.415 -4.491 1.00 54.51 O ATOM 893 CB ILE A 59 -5.962 -1.154 -3.755 1.00 12.12 C ATOM 894 CG1 ILE A 59 -5.742 -0.054 -2.677 1.00 1.41 C ATOM 895 CG2 ILE A 59 -7.338 -1.837 -3.560 1.00 11.34 C ATOM 896 CD1 ILE A 59 -6.705 1.108 -2.764 1.00 14.30 C ATOM 0 H ILE A 59 -3.577 -0.511 -4.150 1.00 4.20 H new ATOM 0 HA ILE A 59 -4.746 -2.663 -2.753 1.00 70.41 H new ATOM 0 HB ILE A 59 -5.966 -0.687 -4.740 1.00 12.12 H new ATOM 0 HG12 ILE A 59 -5.828 -0.508 -1.690 1.00 1.41 H new ATOM 0 HG13 ILE A 59 -4.724 0.326 -2.766 1.00 1.41 H new ATOM 0 HG21 ILE A 59 -8.125 -1.083 -3.580 1.00 11.34 H new ATOM 0 HG22 ILE A 59 -7.504 -2.556 -4.362 1.00 11.34 H new ATOM 0 HG23 ILE A 59 -7.355 -2.353 -2.600 1.00 11.34 H new ATOM 0 HD11 ILE A 59 -6.480 1.827 -1.976 1.00 14.30 H new ATOM 0 HD12 ILE A 59 -6.605 1.591 -3.736 1.00 14.30 H new ATOM 0 HD13 ILE A 59 -7.726 0.745 -2.643 1.00 14.30 H new ATOM 908 N ASP A 60 -4.822 -2.893 -6.082 1.00 34.22 N ATOM 909 CA ASP A 60 -4.921 -3.796 -7.253 1.00 73.54 C ATOM 910 C ASP A 60 -3.941 -5.002 -7.145 1.00 32.03 C ATOM 911 O ASP A 60 -4.274 -6.123 -7.542 1.00 30.55 O ATOM 912 CB ASP A 60 -4.646 -2.964 -8.532 1.00 74.44 C ATOM 913 CG ASP A 60 -4.663 -3.782 -9.833 1.00 70.23 C ATOM 914 OD1 ASP A 60 -5.753 -4.189 -10.280 1.00 2.45 O ATOM 915 OD2 ASP A 60 -3.581 -4.026 -10.413 1.00 23.22 O ATOM 0 H ASP A 60 -4.582 -1.934 -6.333 1.00 34.22 H new ATOM 0 HA ASP A 60 -5.923 -4.223 -7.293 1.00 73.54 H new ATOM 0 HB2 ASP A 60 -5.392 -2.173 -8.604 1.00 74.44 H new ATOM 0 HB3 ASP A 60 -3.675 -2.479 -8.434 1.00 74.44 H new ATOM 920 N TYR A 61 -2.736 -4.734 -6.606 1.00 15.02 N ATOM 921 CA TYR A 61 -1.693 -5.756 -6.341 1.00 71.21 C ATOM 922 C TYR A 61 -2.175 -6.797 -5.303 1.00 43.51 C ATOM 923 O TYR A 61 -2.131 -8.001 -5.560 1.00 43.15 O ATOM 924 CB TYR A 61 -0.380 -5.053 -5.868 1.00 4.02 C ATOM 925 CG TYR A 61 0.708 -5.980 -5.283 1.00 11.05 C ATOM 926 CD1 TYR A 61 1.494 -6.790 -6.108 1.00 12.21 C ATOM 927 CD2 TYR A 61 0.957 -6.022 -3.904 1.00 74.14 C ATOM 928 CE1 TYR A 61 2.465 -7.618 -5.579 1.00 23.24 C ATOM 929 CE2 TYR A 61 1.929 -6.849 -3.379 1.00 23.33 C ATOM 930 CZ TYR A 61 2.688 -7.635 -4.219 1.00 44.11 C ATOM 931 OH TYR A 61 3.660 -8.463 -3.696 1.00 33.05 O ATOM 0 H TYR A 61 -2.452 -3.792 -6.338 1.00 15.02 H new ATOM 0 HA TYR A 61 -1.491 -6.297 -7.265 1.00 71.21 H new ATOM 0 HB2 TYR A 61 0.046 -4.514 -6.714 1.00 4.02 H new ATOM 0 HB3 TYR A 61 -0.640 -4.309 -5.115 1.00 4.02 H new ATOM 0 HD1 TYR A 61 1.339 -6.768 -7.177 1.00 12.21 H new ATOM 0 HD2 TYR A 61 0.378 -5.396 -3.241 1.00 74.14 H new ATOM 0 HE1 TYR A 61 3.049 -8.251 -6.230 1.00 23.24 H new ATOM 0 HE2 TYR A 61 2.095 -6.880 -2.312 1.00 23.33 H new ATOM 0 HH TYR A 61 4.375 -8.586 -4.355 1.00 33.05 H new ATOM 941 N ILE A 62 -2.650 -6.311 -4.139 1.00 40.54 N ATOM 942 CA ILE A 62 -3.101 -7.178 -3.027 1.00 62.34 C ATOM 943 C ILE A 62 -4.365 -8.000 -3.425 1.00 74.03 C ATOM 944 O ILE A 62 -4.439 -9.199 -3.152 1.00 14.24 O ATOM 945 CB ILE A 62 -3.376 -6.335 -1.719 1.00 62.42 C ATOM 946 CG1 ILE A 62 -2.110 -5.501 -1.304 1.00 74.54 C ATOM 947 CG2 ILE A 62 -3.823 -7.248 -0.551 1.00 23.43 C ATOM 948 CD1 ILE A 62 -2.325 -4.546 -0.131 1.00 42.31 C ATOM 0 H ILE A 62 -2.732 -5.314 -3.942 1.00 40.54 H new ATOM 0 HA ILE A 62 -2.295 -7.880 -2.815 1.00 62.34 H new ATOM 0 HB ILE A 62 -4.186 -5.640 -1.942 1.00 62.42 H new ATOM 0 HG12 ILE A 62 -1.306 -6.191 -1.049 1.00 74.54 H new ATOM 0 HG13 ILE A 62 -1.774 -4.925 -2.166 1.00 74.54 H new ATOM 0 HG21 ILE A 62 -4.005 -6.641 0.336 1.00 23.43 H new ATOM 0 HG22 ILE A 62 -4.739 -7.771 -0.828 1.00 23.43 H new ATOM 0 HG23 ILE A 62 -3.040 -7.976 -0.338 1.00 23.43 H new ATOM 0 HD11 ILE A 62 -1.397 -4.016 0.081 1.00 42.31 H new ATOM 0 HD12 ILE A 62 -3.104 -3.827 -0.385 1.00 42.31 H new ATOM 0 HD13 ILE A 62 -2.628 -5.113 0.749 1.00 42.31 H new ATOM 960 N LEU A 63 -5.331 -7.338 -4.093 1.00 12.02 N ATOM 961 CA LEU A 63 -6.550 -7.990 -4.640 1.00 4.21 C ATOM 962 C LEU A 63 -6.219 -9.083 -5.687 1.00 25.30 C ATOM 963 O LEU A 63 -6.905 -10.106 -5.759 1.00 1.44 O ATOM 964 CB LEU A 63 -7.487 -6.926 -5.273 1.00 63.20 C ATOM 965 CG LEU A 63 -8.210 -5.967 -4.278 1.00 51.13 C ATOM 966 CD1 LEU A 63 -9.025 -4.893 -5.034 1.00 25.11 C ATOM 967 CD2 LEU A 63 -9.106 -6.763 -3.303 1.00 21.34 C ATOM 0 H LEU A 63 -5.293 -6.334 -4.272 1.00 12.02 H new ATOM 0 HA LEU A 63 -7.052 -8.478 -3.805 1.00 4.21 H new ATOM 0 HB2 LEU A 63 -6.901 -6.322 -5.966 1.00 63.20 H new ATOM 0 HB3 LEU A 63 -8.244 -7.443 -5.862 1.00 63.20 H new ATOM 0 HG LEU A 63 -7.449 -5.452 -3.691 1.00 51.13 H new ATOM 0 HD11 LEU A 63 -9.519 -4.238 -4.316 1.00 25.11 H new ATOM 0 HD12 LEU A 63 -8.356 -4.304 -5.662 1.00 25.11 H new ATOM 0 HD13 LEU A 63 -9.776 -5.378 -5.658 1.00 25.11 H new ATOM 0 HD21 LEU A 63 -9.600 -6.074 -2.618 1.00 21.34 H new ATOM 0 HD22 LEU A 63 -9.857 -7.315 -3.868 1.00 21.34 H new ATOM 0 HD23 LEU A 63 -8.493 -7.462 -2.734 1.00 21.34 H new ATOM 979 N ASP A 64 -5.166 -8.848 -6.491 1.00 11.43 N ATOM 980 CA ASP A 64 -4.684 -9.832 -7.490 1.00 22.24 C ATOM 981 C ASP A 64 -4.163 -11.122 -6.797 1.00 65.20 C ATOM 982 O ASP A 64 -4.330 -12.229 -7.322 1.00 23.05 O ATOM 983 CB ASP A 64 -3.577 -9.192 -8.364 1.00 41.10 C ATOM 984 CG ASP A 64 -3.120 -10.076 -9.538 1.00 33.33 C ATOM 985 OD1 ASP A 64 -3.727 -10.003 -10.627 1.00 31.12 O ATOM 986 OD2 ASP A 64 -2.151 -10.850 -9.375 1.00 4.12 O ATOM 0 H ASP A 64 -4.627 -7.982 -6.471 1.00 11.43 H new ATOM 0 HA ASP A 64 -5.519 -10.116 -8.130 1.00 22.24 H new ATOM 0 HB2 ASP A 64 -3.941 -8.243 -8.757 1.00 41.10 H new ATOM 0 HB3 ASP A 64 -2.716 -8.967 -7.735 1.00 41.10 H new ATOM 991 N LEU A 65 -3.530 -10.951 -5.620 1.00 32.23 N ATOM 992 CA LEU A 65 -3.022 -12.076 -4.792 1.00 73.54 C ATOM 993 C LEU A 65 -4.178 -12.825 -4.080 1.00 20.25 C ATOM 994 O LEU A 65 -4.182 -14.059 -3.991 1.00 50.43 O ATOM 995 CB LEU A 65 -2.005 -11.544 -3.747 1.00 33.03 C ATOM 996 CG LEU A 65 -0.807 -10.723 -4.319 1.00 15.42 C ATOM 997 CD1 LEU A 65 0.133 -10.238 -3.196 1.00 35.45 C ATOM 998 CD2 LEU A 65 -0.037 -11.521 -5.400 1.00 44.22 C ATOM 0 H LEU A 65 -3.354 -10.033 -5.212 1.00 32.23 H new ATOM 0 HA LEU A 65 -2.525 -12.785 -5.454 1.00 73.54 H new ATOM 0 HB2 LEU A 65 -2.541 -10.919 -3.033 1.00 33.03 H new ATOM 0 HB3 LEU A 65 -1.606 -12.393 -3.192 1.00 33.03 H new ATOM 0 HG LEU A 65 -1.220 -9.837 -4.802 1.00 15.42 H new ATOM 0 HD11 LEU A 65 0.956 -9.670 -3.630 1.00 35.45 H new ATOM 0 HD12 LEU A 65 -0.422 -9.603 -2.506 1.00 35.45 H new ATOM 0 HD13 LEU A 65 0.530 -11.098 -2.657 1.00 35.45 H new ATOM 0 HD21 LEU A 65 0.790 -10.919 -5.776 1.00 44.22 H new ATOM 0 HD22 LEU A 65 0.352 -12.441 -4.965 1.00 44.22 H new ATOM 0 HD23 LEU A 65 -0.711 -11.765 -6.221 1.00 44.22 H new ATOM 1010 N GLN A 66 -5.148 -12.044 -3.584 1.00 43.01 N ATOM 1011 CA GLN A 66 -6.352 -12.553 -2.888 1.00 31.11 C ATOM 1012 C GLN A 66 -7.428 -13.052 -3.890 1.00 3.05 C ATOM 1013 O GLN A 66 -7.251 -12.971 -5.110 1.00 32.21 O ATOM 1014 CB GLN A 66 -6.935 -11.423 -1.994 1.00 13.13 C ATOM 1015 CG GLN A 66 -5.982 -10.922 -0.880 1.00 13.01 C ATOM 1016 CD GLN A 66 -6.510 -9.692 -0.129 1.00 21.31 C ATOM 1017 OE1 GLN A 66 -7.226 -8.867 -0.687 1.00 11.22 O ATOM 1018 NE2 GLN A 66 -6.149 -9.547 1.133 1.00 61.15 N ATOM 0 H GLN A 66 -5.124 -11.027 -3.653 1.00 43.01 H new ATOM 0 HA GLN A 66 -6.062 -13.405 -2.274 1.00 31.11 H new ATOM 0 HB2 GLN A 66 -7.205 -10.579 -2.629 1.00 13.13 H new ATOM 0 HB3 GLN A 66 -7.855 -11.782 -1.532 1.00 13.13 H new ATOM 0 HG2 GLN A 66 -5.814 -11.729 -0.167 1.00 13.01 H new ATOM 0 HG3 GLN A 66 -5.015 -10.681 -1.322 1.00 13.01 H new ATOM 0 HE21 GLN A 66 -5.553 -10.246 1.576 1.00 61.15 H new ATOM 0 HE22 GLN A 66 -6.466 -8.736 1.664 1.00 61.15 H new ATOM 1431 N ASP B 27 -11.609 13.140 -2.096 1.00 73.12 N ATOM 1432 CA ASP B 27 -11.068 12.184 -1.101 1.00 71.04 C ATOM 1433 C ASP B 27 -10.472 10.915 -1.766 1.00 24.04 C ATOM 1434 O ASP B 27 -10.485 9.846 -1.164 1.00 64.52 O ATOM 1435 CB ASP B 27 -12.161 11.810 -0.051 1.00 65.03 C ATOM 1436 CG ASP B 27 -12.555 12.976 0.859 1.00 15.25 C ATOM 1437 OD1 ASP B 27 -13.468 13.746 0.491 1.00 71.52 O ATOM 1438 OD2 ASP B 27 -11.947 13.130 1.942 1.00 73.24 O ATOM 0 HA ASP B 27 -10.246 12.681 -0.586 1.00 71.04 H new ATOM 0 HB2 ASP B 27 -13.048 11.451 -0.573 1.00 65.03 H new ATOM 0 HB3 ASP B 27 -11.797 10.986 0.563 1.00 65.03 H new ATOM 1443 N ASP B 28 -9.905 11.060 -2.980 1.00 10.21 N ATOM 1444 CA ASP B 28 -9.408 9.913 -3.782 1.00 3.34 C ATOM 1445 C ASP B 28 -8.326 9.097 -3.007 1.00 13.52 C ATOM 1446 O ASP B 28 -8.317 7.865 -3.048 1.00 51.13 O ATOM 1447 CB ASP B 28 -8.863 10.413 -5.150 1.00 73.23 C ATOM 1448 CG ASP B 28 -8.860 9.313 -6.230 1.00 32.24 C ATOM 1449 OD1 ASP B 28 -7.904 8.516 -6.291 1.00 2.10 O ATOM 1450 OD2 ASP B 28 -9.830 9.239 -7.012 1.00 54.42 O ATOM 0 H ASP B 28 -9.777 11.965 -3.433 1.00 10.21 H new ATOM 0 HA ASP B 28 -10.244 9.239 -3.967 1.00 3.34 H new ATOM 0 HB2 ASP B 28 -9.470 11.251 -5.493 1.00 73.23 H new ATOM 0 HB3 ASP B 28 -7.848 10.788 -5.017 1.00 73.23 H new ATOM 1455 N MET B 29 -7.440 9.812 -2.276 1.00 45.45 N ATOM 1456 CA MET B 29 -6.426 9.181 -1.397 1.00 42.41 C ATOM 1457 C MET B 29 -7.091 8.467 -0.193 1.00 1.24 C ATOM 1458 O MET B 29 -6.667 7.387 0.197 1.00 52.43 O ATOM 1459 CB MET B 29 -5.408 10.227 -0.867 1.00 24.25 C ATOM 1460 CG MET B 29 -4.705 11.032 -1.959 1.00 44.34 C ATOM 1461 SD MET B 29 -3.276 11.965 -1.365 1.00 60.44 S ATOM 1462 CE MET B 29 -2.115 10.639 -1.016 1.00 35.53 C ATOM 0 H MET B 29 -7.407 10.831 -2.277 1.00 45.45 H new ATOM 0 HA MET B 29 -5.898 8.445 -2.003 1.00 42.41 H new ATOM 0 HB2 MET B 29 -5.927 10.917 -0.201 1.00 24.25 H new ATOM 0 HB3 MET B 29 -4.655 9.713 -0.269 1.00 24.25 H new ATOM 0 HG2 MET B 29 -4.382 10.353 -2.748 1.00 44.34 H new ATOM 0 HG3 MET B 29 -5.419 11.723 -2.406 1.00 44.34 H new ATOM 0 HE1 MET B 29 -1.106 11.046 -0.952 1.00 35.53 H new ATOM 0 HE2 MET B 29 -2.376 10.167 -0.069 1.00 35.53 H new ATOM 0 HE3 MET B 29 -2.158 9.899 -1.815 1.00 35.53 H new ATOM 1472 N ASN B 30 -8.138 9.109 0.372 1.00 70.23 N ATOM 1473 CA ASN B 30 -8.897 8.608 1.553 1.00 23.21 C ATOM 1474 C ASN B 30 -9.584 7.254 1.238 1.00 62.33 C ATOM 1475 O ASN B 30 -9.467 6.308 2.015 1.00 4.51 O ATOM 1476 CB ASN B 30 -9.945 9.689 1.969 1.00 23.21 C ATOM 1477 CG ASN B 30 -10.746 9.410 3.252 1.00 40.43 C ATOM 1478 OD1 ASN B 30 -10.932 8.273 3.681 1.00 73.43 O ATOM 1479 ND2 ASN B 30 -11.284 10.458 3.844 1.00 71.41 N ATOM 0 H ASN B 30 -8.488 10.000 0.021 1.00 70.23 H new ATOM 0 HA ASN B 30 -8.210 8.432 2.381 1.00 23.21 H new ATOM 0 HB2 ASN B 30 -9.425 10.639 2.091 1.00 23.21 H new ATOM 0 HB3 ASN B 30 -10.650 9.815 1.147 1.00 23.21 H new ATOM 0 HD21 ASN B 30 -11.866 10.333 4.672 1.00 71.41 H new ATOM 0 HD22 ASN B 30 -11.118 11.394 3.474 1.00 71.41 H new ATOM 1486 N HIS B 31 -10.294 7.179 0.089 1.00 22.41 N ATOM 1487 CA HIS B 31 -10.957 5.930 -0.379 1.00 0.24 C ATOM 1488 C HIS B 31 -9.932 4.798 -0.618 1.00 31.03 C ATOM 1489 O HIS B 31 -10.193 3.627 -0.306 1.00 10.05 O ATOM 1490 CB HIS B 31 -11.786 6.193 -1.663 1.00 32.10 C ATOM 1491 CG HIS B 31 -12.945 7.142 -1.454 1.00 5.32 C ATOM 1492 ND1 HIS B 31 -14.056 6.776 -0.730 1.00 2.12 N ATOM 1493 CD2 HIS B 31 -13.104 8.415 -1.874 1.00 24.14 C ATOM 1494 CE1 HIS B 31 -14.854 7.829 -0.731 1.00 3.05 C ATOM 1495 NE2 HIS B 31 -14.317 8.846 -1.412 1.00 13.44 N ATOM 0 H HIS B 31 -10.426 7.972 -0.538 1.00 22.41 H new ATOM 0 HA HIS B 31 -11.635 5.604 0.410 1.00 0.24 H new ATOM 0 HB2 HIS B 31 -11.129 6.599 -2.432 1.00 32.10 H new ATOM 0 HB3 HIS B 31 -12.168 5.244 -2.039 1.00 32.10 H new ATOM 0 HD2 HIS B 31 -12.404 8.987 -2.465 1.00 24.14 H new ATOM 0 HE1 HIS B 31 -15.817 7.864 -0.244 1.00 3.05 H new ATOM 0 HE2 HIS B 31 -14.732 9.766 -1.559 1.00 13.44 H new ATOM 1503 N CYS B 32 -8.758 5.177 -1.151 1.00 13.25 N ATOM 1504 CA CYS B 32 -7.626 4.249 -1.341 1.00 65.43 C ATOM 1505 C CYS B 32 -7.063 3.736 0.014 1.00 1.31 C ATOM 1506 O CYS B 32 -6.805 2.539 0.175 1.00 65.13 O ATOM 1507 CB CYS B 32 -6.510 4.922 -2.178 1.00 24.03 C ATOM 1508 SG CYS B 32 -6.966 5.252 -3.907 1.00 13.45 S ATOM 0 H CYS B 32 -8.566 6.129 -1.461 1.00 13.25 H new ATOM 0 HA CYS B 32 -8.000 3.382 -1.885 1.00 65.43 H new ATOM 0 HB2 CYS B 32 -6.232 5.862 -1.702 1.00 24.03 H new ATOM 0 HB3 CYS B 32 -5.626 4.284 -2.163 1.00 24.03 H new ATOM 0 HG CYS B 32 -7.636 6.364 -3.974 1.00 13.45 H new ATOM 1514 N TYR B 33 -6.904 4.649 0.989 1.00 73.30 N ATOM 1515 CA TYR B 33 -6.402 4.317 2.342 1.00 4.10 C ATOM 1516 C TYR B 33 -7.393 3.422 3.122 1.00 30.11 C ATOM 1517 O TYR B 33 -6.973 2.526 3.855 1.00 71.31 O ATOM 1518 CB TYR B 33 -6.080 5.612 3.147 1.00 74.35 C ATOM 1519 CG TYR B 33 -4.712 6.240 2.810 1.00 13.50 C ATOM 1520 CD1 TYR B 33 -3.564 5.449 2.803 1.00 41.35 C ATOM 1521 CD2 TYR B 33 -4.554 7.606 2.546 1.00 5.55 C ATOM 1522 CE1 TYR B 33 -2.327 5.978 2.535 1.00 11.32 C ATOM 1523 CE2 TYR B 33 -3.308 8.141 2.267 1.00 60.43 C ATOM 1524 CZ TYR B 33 -2.197 7.320 2.272 1.00 74.04 C ATOM 1525 OH TYR B 33 -0.953 7.844 2.003 1.00 33.44 O ATOM 0 H TYR B 33 -7.119 5.638 0.865 1.00 73.30 H new ATOM 0 HA TYR B 33 -5.480 3.749 2.214 1.00 4.10 H new ATOM 0 HB2 TYR B 33 -6.862 6.348 2.958 1.00 74.35 H new ATOM 0 HB3 TYR B 33 -6.109 5.382 4.212 1.00 74.35 H new ATOM 0 HD1 TYR B 33 -3.651 4.393 3.014 1.00 41.35 H new ATOM 0 HD2 TYR B 33 -5.419 8.253 2.560 1.00 5.55 H new ATOM 0 HE1 TYR B 33 -1.456 5.340 2.531 1.00 11.32 H new ATOM 0 HE2 TYR B 33 -3.205 9.193 2.047 1.00 60.43 H new ATOM 0 HH TYR B 33 -0.764 7.762 1.045 1.00 33.44 H new ATOM 1535 N SER B 34 -8.701 3.674 2.940 1.00 21.13 N ATOM 1536 CA SER B 34 -9.783 2.872 3.562 1.00 55.03 C ATOM 1537 C SER B 34 -9.724 1.408 3.083 1.00 62.15 C ATOM 1538 O SER B 34 -9.854 0.477 3.881 1.00 22.31 O ATOM 1539 CB SER B 34 -11.172 3.486 3.235 1.00 33.23 C ATOM 1540 OG SER B 34 -11.302 4.799 3.772 1.00 5.31 O ATOM 0 H SER B 34 -9.044 4.439 2.358 1.00 21.13 H new ATOM 0 HA SER B 34 -9.638 2.888 4.642 1.00 55.03 H new ATOM 0 HB2 SER B 34 -11.311 3.518 2.154 1.00 33.23 H new ATOM 0 HB3 SER B 34 -11.958 2.847 3.639 1.00 33.23 H new ATOM 0 HG SER B 34 -10.730 5.416 3.270 1.00 5.31 H new ATOM 1546 N ARG B 35 -9.494 1.233 1.769 1.00 43.45 N ATOM 1547 CA ARG B 35 -9.360 -0.093 1.130 1.00 43.24 C ATOM 1548 C ARG B 35 -8.080 -0.839 1.566 1.00 22.31 C ATOM 1549 O ARG B 35 -8.117 -2.058 1.755 1.00 43.52 O ATOM 1550 CB ARG B 35 -9.443 0.060 -0.400 1.00 4.22 C ATOM 1551 CG ARG B 35 -10.906 0.164 -0.870 1.00 14.12 C ATOM 1552 CD ARG B 35 -11.067 0.786 -2.245 1.00 24.04 C ATOM 1553 NE ARG B 35 -10.416 0.014 -3.329 1.00 32.51 N ATOM 1554 CZ ARG B 35 -10.996 -0.910 -4.078 1.00 0.33 C ATOM 1555 NH1 ARG B 35 -12.201 -1.329 -3.835 1.00 74.40 N ATOM 1556 NH2 ARG B 35 -10.341 -1.427 -5.066 1.00 23.14 N ATOM 0 H ARG B 35 -9.395 2.010 1.116 1.00 43.45 H new ATOM 0 HA ARG B 35 -10.189 -0.715 1.468 1.00 43.24 H new ATOM 0 HB2 ARG B 35 -8.895 0.950 -0.710 1.00 4.22 H new ATOM 0 HB3 ARG B 35 -8.964 -0.793 -0.880 1.00 4.22 H new ATOM 0 HG2 ARG B 35 -11.346 -0.833 -0.879 1.00 14.12 H new ATOM 0 HG3 ARG B 35 -11.469 0.754 -0.147 1.00 14.12 H new ATOM 0 HD2 ARG B 35 -12.130 0.883 -2.468 1.00 24.04 H new ATOM 0 HD3 ARG B 35 -10.652 1.794 -2.229 1.00 24.04 H new ATOM 0 HE ARG B 35 -9.433 0.212 -3.515 1.00 32.51 H new ATOM 0 HH11 ARG B 35 -12.726 -0.945 -3.049 1.00 74.40 H new ATOM 0 HH12 ARG B 35 -12.622 -2.042 -4.430 1.00 74.40 H new ATOM 0 HH21 ARG B 35 -9.387 -1.122 -5.261 1.00 23.14 H new ATOM 0 HH22 ARG B 35 -10.778 -2.140 -5.650 1.00 23.14 H new ATOM 1570 N LEU B 36 -6.962 -0.103 1.730 1.00 2.23 N ATOM 1571 CA LEU B 36 -5.704 -0.671 2.274 1.00 32.41 C ATOM 1572 C LEU B 36 -5.929 -1.273 3.684 1.00 11.40 C ATOM 1573 O LEU B 36 -5.548 -2.410 3.942 1.00 41.33 O ATOM 1574 CB LEU B 36 -4.587 0.406 2.313 1.00 24.14 C ATOM 1575 CG LEU B 36 -4.032 0.868 0.929 1.00 23.34 C ATOM 1576 CD1 LEU B 36 -3.029 2.034 1.075 1.00 34.35 C ATOM 1577 CD2 LEU B 36 -3.391 -0.318 0.164 1.00 40.01 C ATOM 0 H LEU B 36 -6.901 0.888 1.494 1.00 2.23 H new ATOM 0 HA LEU B 36 -5.385 -1.475 1.610 1.00 32.41 H new ATOM 0 HB2 LEU B 36 -4.971 1.280 2.838 1.00 24.14 H new ATOM 0 HB3 LEU B 36 -3.757 0.019 2.904 1.00 24.14 H new ATOM 0 HG LEU B 36 -4.877 1.234 0.346 1.00 23.34 H new ATOM 0 HD11 LEU B 36 -2.665 2.327 0.090 1.00 34.35 H new ATOM 0 HD12 LEU B 36 -3.524 2.883 1.546 1.00 34.35 H new ATOM 0 HD13 LEU B 36 -2.189 1.716 1.692 1.00 34.35 H new ATOM 0 HD21 LEU B 36 -3.012 0.031 -0.797 1.00 40.01 H new ATOM 0 HD22 LEU B 36 -2.569 -0.728 0.751 1.00 40.01 H new ATOM 0 HD23 LEU B 36 -4.140 -1.092 -0.001 1.00 40.01 H new ATOM 1589 N ARG B 37 -6.610 -0.510 4.562 1.00 55.02 N ATOM 1590 CA ARG B 37 -6.950 -0.950 5.945 1.00 20.41 C ATOM 1591 C ARG B 37 -7.745 -2.286 5.970 1.00 33.21 C ATOM 1592 O ARG B 37 -7.617 -3.084 6.904 1.00 11.51 O ATOM 1593 CB ARG B 37 -7.778 0.142 6.655 1.00 12.32 C ATOM 1594 CG ARG B 37 -7.066 1.501 6.810 1.00 15.34 C ATOM 1595 CD ARG B 37 -8.037 2.585 7.292 1.00 23.03 C ATOM 1596 NE ARG B 37 -7.420 3.917 7.404 1.00 52.12 N ATOM 1597 CZ ARG B 37 -6.933 4.434 8.507 1.00 13.14 C ATOM 1598 NH1 ARG B 37 -6.858 3.742 9.593 1.00 4.43 N ATOM 1599 NH2 ARG B 37 -6.504 5.648 8.513 1.00 72.14 N ATOM 0 H ARG B 37 -6.943 0.428 4.340 1.00 55.02 H new ATOM 0 HA ARG B 37 -6.006 -1.115 6.465 1.00 20.41 H new ATOM 0 HB2 ARG B 37 -8.703 0.295 6.099 1.00 12.32 H new ATOM 0 HB3 ARG B 37 -8.057 -0.220 7.645 1.00 12.32 H new ATOM 0 HG2 ARG B 37 -6.244 1.405 7.519 1.00 15.34 H new ATOM 0 HG3 ARG B 37 -6.631 1.797 5.856 1.00 15.34 H new ATOM 0 HD2 ARG B 37 -8.879 2.640 6.602 1.00 23.03 H new ATOM 0 HD3 ARG B 37 -8.439 2.296 8.263 1.00 23.03 H new ATOM 0 HE ARG B 37 -7.367 4.483 6.557 1.00 52.12 H new ATOM 0 HH11 ARG B 37 -7.181 2.774 9.604 1.00 4.43 H new ATOM 0 HH12 ARG B 37 -6.476 4.162 10.440 1.00 4.43 H new ATOM 0 HH21 ARG B 37 -6.543 6.207 7.661 1.00 72.14 H new ATOM 0 HH22 ARG B 37 -6.125 6.051 9.370 1.00 72.14 H new ATOM 1613 N GLU B 38 -8.554 -2.509 4.917 1.00 15.31 N ATOM 1614 CA GLU B 38 -9.427 -3.694 4.800 1.00 24.14 C ATOM 1615 C GLU B 38 -8.614 -4.936 4.364 1.00 62.13 C ATOM 1616 O GLU B 38 -8.830 -6.048 4.861 1.00 25.52 O ATOM 1617 CB GLU B 38 -10.560 -3.412 3.771 1.00 42.23 C ATOM 1618 CG GLU B 38 -11.525 -2.272 4.156 1.00 22.02 C ATOM 1619 CD GLU B 38 -12.430 -2.603 5.359 1.00 72.54 C ATOM 1620 OE1 GLU B 38 -13.540 -3.144 5.153 1.00 15.20 O ATOM 1621 OE2 GLU B 38 -12.049 -2.322 6.511 1.00 33.24 O ATOM 0 H GLU B 38 -8.621 -1.873 4.123 1.00 15.31 H new ATOM 0 HA GLU B 38 -9.866 -3.899 5.776 1.00 24.14 H new ATOM 0 HB2 GLU B 38 -10.105 -3.173 2.810 1.00 42.23 H new ATOM 0 HB3 GLU B 38 -11.139 -4.325 3.632 1.00 42.23 H new ATOM 0 HG2 GLU B 38 -10.944 -1.379 4.385 1.00 22.02 H new ATOM 0 HG3 GLU B 38 -12.152 -2.033 3.297 1.00 22.02 H new ATOM 1628 N LEU B 39 -7.667 -4.715 3.431 1.00 25.34 N ATOM 1629 CA LEU B 39 -6.861 -5.797 2.816 1.00 41.25 C ATOM 1630 C LEU B 39 -5.692 -6.261 3.717 1.00 11.03 C ATOM 1631 O LEU B 39 -5.199 -7.387 3.562 1.00 22.14 O ATOM 1632 CB LEU B 39 -6.314 -5.334 1.444 1.00 33.04 C ATOM 1633 CG LEU B 39 -7.381 -4.866 0.405 1.00 15.31 C ATOM 1634 CD1 LEU B 39 -6.726 -4.475 -0.934 1.00 31.13 C ATOM 1635 CD2 LEU B 39 -8.485 -5.933 0.203 1.00 63.04 C ATOM 0 H LEU B 39 -7.437 -3.785 3.081 1.00 25.34 H new ATOM 0 HA LEU B 39 -7.524 -6.652 2.686 1.00 41.25 H new ATOM 0 HB2 LEU B 39 -5.615 -4.515 1.612 1.00 33.04 H new ATOM 0 HB3 LEU B 39 -5.745 -6.154 1.006 1.00 33.04 H new ATOM 0 HG LEU B 39 -7.861 -3.975 0.810 1.00 15.31 H new ATOM 0 HD11 LEU B 39 -7.496 -4.154 -1.636 1.00 31.13 H new ATOM 0 HD12 LEU B 39 -6.022 -3.660 -0.770 1.00 31.13 H new ATOM 0 HD13 LEU B 39 -6.197 -5.335 -1.345 1.00 31.13 H new ATOM 0 HD21 LEU B 39 -9.210 -5.573 -0.527 1.00 63.04 H new ATOM 0 HD22 LEU B 39 -8.035 -6.858 -0.158 1.00 63.04 H new ATOM 0 HD23 LEU B 39 -8.988 -6.121 1.152 1.00 63.04 H new ATOM 1647 N VAL B 40 -5.241 -5.382 4.637 1.00 72.43 N ATOM 1648 CA VAL B 40 -4.114 -5.683 5.554 1.00 24.12 C ATOM 1649 C VAL B 40 -4.640 -6.163 6.937 1.00 71.44 C ATOM 1650 O VAL B 40 -5.149 -5.349 7.719 1.00 13.03 O ATOM 1651 CB VAL B 40 -3.171 -4.432 5.753 1.00 71.35 C ATOM 1652 CG1 VAL B 40 -1.882 -4.811 6.525 1.00 21.43 C ATOM 1653 CG2 VAL B 40 -2.834 -3.774 4.399 1.00 13.14 C ATOM 0 H VAL B 40 -5.641 -4.453 4.767 1.00 72.43 H new ATOM 0 HA VAL B 40 -3.532 -6.481 5.092 1.00 24.12 H new ATOM 0 HB VAL B 40 -3.712 -3.703 6.357 1.00 71.35 H new ATOM 0 HG11 VAL B 40 -1.256 -3.927 6.644 1.00 21.43 H new ATOM 0 HG12 VAL B 40 -2.148 -5.202 7.507 1.00 21.43 H new ATOM 0 HG13 VAL B 40 -1.334 -5.571 5.968 1.00 21.43 H new ATOM 0 HG21 VAL B 40 -2.183 -2.915 4.564 1.00 13.14 H new ATOM 0 HG22 VAL B 40 -2.326 -4.496 3.760 1.00 13.14 H new ATOM 0 HG23 VAL B 40 -3.754 -3.445 3.915 1.00 13.14 H new ATOM 1663 N PRO B 41 -4.515 -7.494 7.273 1.00 0.12 N ATOM 1664 CA PRO B 41 -4.892 -8.033 8.607 1.00 63.14 C ATOM 1665 C PRO B 41 -3.851 -7.694 9.705 1.00 4.55 C ATOM 1666 O PRO B 41 -4.093 -7.945 10.889 1.00 34.24 O ATOM 1667 CB PRO B 41 -4.983 -9.577 8.374 1.00 54.24 C ATOM 1668 CG PRO B 41 -4.790 -9.780 6.890 1.00 71.44 C ATOM 1669 CD PRO B 41 -4.013 -8.581 6.400 1.00 35.54 C ATOM 0 HA PRO B 41 -5.823 -7.597 8.970 1.00 63.14 H new ATOM 0 HB2 PRO B 41 -4.218 -10.104 8.944 1.00 54.24 H new ATOM 0 HB3 PRO B 41 -5.948 -9.966 8.700 1.00 54.24 H new ATOM 0 HG2 PRO B 41 -4.247 -10.704 6.691 1.00 71.44 H new ATOM 0 HG3 PRO B 41 -5.750 -9.857 6.379 1.00 71.44 H new ATOM 0 HD2 PRO B 41 -2.938 -8.723 6.507 1.00 35.54 H new ATOM 0 HD3 PRO B 41 -4.204 -8.376 5.347 1.00 35.54 H new ATOM 1677 N GLY B 42 -2.702 -7.112 9.279 1.00 15.22 N ATOM 1678 CA GLY B 42 -1.585 -6.775 10.171 1.00 74.23 C ATOM 1679 C GLY B 42 -1.872 -5.662 11.184 1.00 12.41 C ATOM 1680 O GLY B 42 -1.087 -5.478 12.118 1.00 34.24 O ATOM 0 H GLY B 42 -2.532 -6.866 8.304 1.00 15.22 H new ATOM 0 HA2 GLY B 42 -1.292 -7.673 10.715 1.00 74.23 H new ATOM 0 HA3 GLY B 42 -0.731 -6.479 9.562 1.00 74.23 H new ATOM 1684 N VAL B 43 -2.965 -4.897 10.985 1.00 30.34 N ATOM 1685 CA VAL B 43 -3.411 -3.867 11.952 1.00 22.22 C ATOM 1686 C VAL B 43 -4.091 -4.537 13.186 1.00 54.25 C ATOM 1687 O VAL B 43 -5.114 -5.219 13.021 1.00 33.50 O ATOM 1688 CB VAL B 43 -4.424 -2.850 11.295 1.00 13.40 C ATOM 1689 CG1 VAL B 43 -4.850 -1.731 12.286 1.00 22.12 C ATOM 1690 CG2 VAL B 43 -3.861 -2.256 9.981 1.00 25.13 C ATOM 0 H VAL B 43 -3.559 -4.972 10.159 1.00 30.34 H new ATOM 0 HA VAL B 43 -2.524 -3.318 12.269 1.00 22.22 H new ATOM 0 HB VAL B 43 -5.322 -3.414 11.043 1.00 13.40 H new ATOM 0 HG11 VAL B 43 -5.547 -1.054 11.792 1.00 22.12 H new ATOM 0 HG12 VAL B 43 -5.333 -2.179 13.155 1.00 22.12 H new ATOM 0 HG13 VAL B 43 -3.969 -1.175 12.607 1.00 22.12 H new ATOM 0 HG21 VAL B 43 -4.585 -1.560 9.557 1.00 25.13 H new ATOM 0 HG22 VAL B 43 -2.930 -1.729 10.190 1.00 25.13 H new ATOM 0 HG23 VAL B 43 -3.671 -3.060 9.270 1.00 25.13 H new ATOM 1700 N PRO B 44 -3.523 -4.388 14.434 1.00 60.51 N ATOM 1701 CA PRO B 44 -4.175 -4.891 15.671 1.00 21.23 C ATOM 1702 C PRO B 44 -5.557 -4.226 15.910 1.00 43.13 C ATOM 1703 O PRO B 44 -5.638 -2.999 16.031 1.00 61.41 O ATOM 1704 CB PRO B 44 -3.162 -4.533 16.798 1.00 5.51 C ATOM 1705 CG PRO B 44 -1.849 -4.353 16.088 1.00 53.13 C ATOM 1706 CD PRO B 44 -2.200 -3.773 14.734 1.00 31.10 C ATOM 0 HA PRO B 44 -4.388 -5.959 15.622 1.00 21.23 H new ATOM 0 HB2 PRO B 44 -3.457 -3.624 17.321 1.00 5.51 H new ATOM 0 HB3 PRO B 44 -3.103 -5.325 17.544 1.00 5.51 H new ATOM 0 HG2 PRO B 44 -1.191 -3.685 16.643 1.00 53.13 H new ATOM 0 HG3 PRO B 44 -1.325 -5.303 15.984 1.00 53.13 H new ATOM 0 HD2 PRO B 44 -2.259 -2.685 14.765 1.00 31.10 H new ATOM 0 HD3 PRO B 44 -1.456 -4.030 13.980 1.00 31.10 H new ATOM 1714 N ARG B 45 -6.629 -5.050 15.940 1.00 51.20 N ATOM 1715 CA ARG B 45 -8.021 -4.576 16.104 1.00 52.41 C ATOM 1716 C ARG B 45 -8.180 -3.711 17.389 1.00 12.12 C ATOM 1717 O ARG B 45 -8.180 -4.223 18.514 1.00 1.41 O ATOM 1718 CB ARG B 45 -9.006 -5.779 16.115 1.00 50.14 C ATOM 1719 CG ARG B 45 -10.493 -5.405 16.340 1.00 20.33 C ATOM 1720 CD ARG B 45 -11.415 -6.635 16.380 1.00 21.01 C ATOM 1721 NE ARG B 45 -12.803 -6.292 16.736 1.00 50.34 N ATOM 1722 CZ ARG B 45 -13.699 -7.141 17.202 1.00 15.04 C ATOM 1723 NH1 ARG B 45 -13.415 -8.398 17.377 1.00 74.45 N ATOM 1724 NH2 ARG B 45 -14.885 -6.726 17.497 1.00 14.13 N ATOM 0 H ARG B 45 -6.552 -6.063 15.851 1.00 51.20 H new ATOM 0 HA ARG B 45 -8.263 -3.940 15.252 1.00 52.41 H new ATOM 0 HB2 ARG B 45 -8.920 -6.309 15.166 1.00 50.14 H new ATOM 0 HB3 ARG B 45 -8.699 -6.474 16.897 1.00 50.14 H new ATOM 0 HG2 ARG B 45 -10.587 -4.855 17.276 1.00 20.33 H new ATOM 0 HG3 ARG B 45 -10.820 -4.737 15.543 1.00 20.33 H new ATOM 0 HD2 ARG B 45 -11.404 -7.124 15.406 1.00 21.01 H new ATOM 0 HD3 ARG B 45 -11.026 -7.353 17.102 1.00 21.01 H new ATOM 0 HE ARG B 45 -13.094 -5.322 16.613 1.00 50.34 H new ATOM 0 HH11 ARG B 45 -12.483 -8.746 17.153 1.00 74.45 H new ATOM 0 HH12 ARG B 45 -14.124 -9.036 17.739 1.00 74.45 H new ATOM 0 HH21 ARG B 45 -15.128 -5.744 17.370 1.00 14.13 H new ATOM 0 HH22 ARG B 45 -15.579 -7.380 17.857 1.00 14.13 H new ATOM 1738 N GLY B 46 -8.278 -2.387 17.189 1.00 21.43 N ATOM 1739 CA GLY B 46 -8.351 -1.415 18.288 1.00 21.41 C ATOM 1740 C GLY B 46 -7.606 -0.118 17.957 1.00 34.01 C ATOM 1741 O GLY B 46 -8.021 0.970 18.381 1.00 21.31 O ATOM 0 H GLY B 46 -8.309 -1.962 16.262 1.00 21.43 H new ATOM 0 HA2 GLY B 46 -9.395 -1.189 18.503 1.00 21.41 H new ATOM 0 HA3 GLY B 46 -7.928 -1.856 19.191 1.00 21.41 H new ATOM 1745 N THR B 47 -6.480 -0.232 17.209 1.00 32.40 N ATOM 1746 CA THR B 47 -5.695 0.951 16.755 1.00 3.03 C ATOM 1747 C THR B 47 -6.288 1.530 15.454 1.00 70.31 C ATOM 1748 O THR B 47 -6.791 0.779 14.599 1.00 55.31 O ATOM 1749 CB THR B 47 -4.165 0.627 16.544 1.00 23.32 C ATOM 1750 OG1 THR B 47 -3.419 1.845 16.332 1.00 44.51 O ATOM 1751 CG2 THR B 47 -3.903 -0.324 15.366 1.00 51.15 C ATOM 0 H THR B 47 -6.094 -1.126 16.907 1.00 32.40 H new ATOM 0 HA THR B 47 -5.764 1.691 17.553 1.00 3.03 H new ATOM 0 HB THR B 47 -3.836 0.125 17.454 1.00 23.32 H new ATOM 0 HG1 THR B 47 -2.471 1.630 16.204 1.00 44.51 H new ATOM 0 HG21 THR B 47 -2.832 -0.505 15.276 1.00 51.15 H new ATOM 0 HG22 THR B 47 -4.418 -1.269 15.540 1.00 51.15 H new ATOM 0 HG23 THR B 47 -4.273 0.127 14.445 1.00 51.15 H new ATOM 1759 N GLN B 48 -6.247 2.861 15.315 1.00 40.53 N ATOM 1760 CA GLN B 48 -6.740 3.548 14.107 1.00 60.52 C ATOM 1761 C GLN B 48 -5.648 3.606 13.017 1.00 64.34 C ATOM 1762 O GLN B 48 -5.854 3.081 11.925 1.00 43.13 O ATOM 1763 CB GLN B 48 -7.256 4.971 14.458 1.00 55.01 C ATOM 1764 CG GLN B 48 -8.464 4.984 15.432 1.00 12.43 C ATOM 1765 CD GLN B 48 -9.038 6.381 15.696 1.00 20.54 C ATOM 1766 OE1 GLN B 48 -8.979 7.271 14.853 1.00 52.25 O ATOM 1767 NE2 GLN B 48 -9.619 6.581 16.866 1.00 53.20 N ATOM 0 H GLN B 48 -5.876 3.490 16.027 1.00 40.53 H new ATOM 0 HA GLN B 48 -7.576 2.974 13.707 1.00 60.52 H new ATOM 0 HB2 GLN B 48 -6.440 5.543 14.900 1.00 55.01 H new ATOM 0 HB3 GLN B 48 -7.540 5.480 13.537 1.00 55.01 H new ATOM 0 HG2 GLN B 48 -9.252 4.350 15.026 1.00 12.43 H new ATOM 0 HG3 GLN B 48 -8.157 4.543 16.381 1.00 12.43 H new ATOM 0 HE21 GLN B 48 -9.657 5.827 17.552 1.00 53.20 H new ATOM 0 HE22 GLN B 48 -10.030 7.489 17.083 1.00 53.20 H new ATOM 1776 N LEU B 49 -4.480 4.216 13.360 1.00 43.40 N ATOM 1777 CA LEU B 49 -3.348 4.496 12.417 1.00 33.12 C ATOM 1778 C LEU B 49 -3.728 5.565 11.356 1.00 63.00 C ATOM 1779 O LEU B 49 -4.791 5.486 10.733 1.00 5.44 O ATOM 1780 CB LEU B 49 -2.828 3.204 11.701 1.00 75.10 C ATOM 1781 CG LEU B 49 -2.337 2.040 12.621 1.00 53.12 C ATOM 1782 CD1 LEU B 49 -1.953 0.794 11.789 1.00 32.13 C ATOM 1783 CD2 LEU B 49 -1.164 2.483 13.528 1.00 61.21 C ATOM 0 H LEU B 49 -4.291 4.533 14.311 1.00 43.40 H new ATOM 0 HA LEU B 49 -2.541 4.887 13.036 1.00 33.12 H new ATOM 0 HB2 LEU B 49 -3.627 2.822 11.066 1.00 75.10 H new ATOM 0 HB3 LEU B 49 -2.006 3.487 11.043 1.00 75.10 H new ATOM 0 HG LEU B 49 -3.169 1.769 13.271 1.00 53.12 H new ATOM 0 HD11 LEU B 49 -1.615 0.001 12.456 1.00 32.13 H new ATOM 0 HD12 LEU B 49 -2.821 0.450 11.227 1.00 32.13 H new ATOM 0 HD13 LEU B 49 -1.151 1.052 11.097 1.00 32.13 H new ATOM 0 HD21 LEU B 49 -0.851 1.646 14.153 1.00 61.21 H new ATOM 0 HD22 LEU B 49 -0.327 2.807 12.909 1.00 61.21 H new ATOM 0 HD23 LEU B 49 -1.486 3.309 14.162 1.00 61.21 H new ATOM 1795 N SER B 50 -2.857 6.567 11.152 1.00 61.53 N ATOM 1796 CA SER B 50 -3.039 7.585 10.080 1.00 52.21 C ATOM 1797 C SER B 50 -2.158 7.281 8.839 1.00 12.31 C ATOM 1798 O SER B 50 -1.479 6.251 8.792 1.00 63.31 O ATOM 1799 CB SER B 50 -2.814 9.017 10.638 1.00 4.24 C ATOM 1800 OG SER B 50 -1.578 9.155 11.316 1.00 14.24 O ATOM 0 H SER B 50 -2.015 6.702 11.712 1.00 61.53 H new ATOM 0 HA SER B 50 -4.071 7.532 9.735 1.00 52.21 H new ATOM 0 HB2 SER B 50 -2.854 9.732 9.817 1.00 4.24 H new ATOM 0 HB3 SER B 50 -3.627 9.268 11.319 1.00 4.24 H new ATOM 0 HG SER B 50 -1.098 8.301 11.297 1.00 14.24 H new ATOM 1806 N GLN B 51 -2.180 8.210 7.857 1.00 20.04 N ATOM 1807 CA GLN B 51 -1.730 7.991 6.450 1.00 60.20 C ATOM 1808 C GLN B 51 -0.383 7.221 6.280 1.00 75.33 C ATOM 1809 O GLN B 51 -0.317 6.233 5.536 1.00 23.43 O ATOM 1810 CB GLN B 51 -1.626 9.365 5.744 1.00 43.03 C ATOM 1811 CG GLN B 51 -2.920 10.206 5.775 1.00 72.51 C ATOM 1812 CD GLN B 51 -2.748 11.601 5.164 1.00 60.22 C ATOM 1813 OE1 GLN B 51 -2.970 11.809 3.976 1.00 42.42 O ATOM 1814 NE2 GLN B 51 -2.345 12.568 5.974 1.00 45.32 N ATOM 0 H GLN B 51 -2.518 9.159 8.018 1.00 20.04 H new ATOM 0 HA GLN B 51 -2.482 7.344 5.999 1.00 60.20 H new ATOM 0 HB2 GLN B 51 -0.825 9.938 6.211 1.00 43.03 H new ATOM 0 HB3 GLN B 51 -1.339 9.203 4.705 1.00 43.03 H new ATOM 0 HG2 GLN B 51 -3.704 9.674 5.236 1.00 72.51 H new ATOM 0 HG3 GLN B 51 -3.255 10.307 6.807 1.00 72.51 H new ATOM 0 HE21 GLN B 51 -2.167 12.368 6.958 1.00 45.32 H new ATOM 0 HE22 GLN B 51 -2.212 13.513 5.614 1.00 45.32 H new ATOM 1823 N VAL B 52 0.679 7.685 6.962 1.00 35.43 N ATOM 1824 CA VAL B 52 2.042 7.111 6.807 1.00 21.12 C ATOM 1825 C VAL B 52 2.160 5.707 7.466 1.00 12.31 C ATOM 1826 O VAL B 52 2.819 4.813 6.922 1.00 74.31 O ATOM 1827 CB VAL B 52 3.145 8.080 7.378 1.00 11.45 C ATOM 1828 CG1 VAL B 52 4.566 7.644 6.952 1.00 33.13 C ATOM 1829 CG2 VAL B 52 2.879 9.539 6.950 1.00 64.54 C ATOM 0 H VAL B 52 0.627 8.456 7.628 1.00 35.43 H new ATOM 0 HA VAL B 52 2.211 6.993 5.737 1.00 21.12 H new ATOM 0 HB VAL B 52 3.090 8.023 8.465 1.00 11.45 H new ATOM 0 HG11 VAL B 52 5.299 8.337 7.365 1.00 33.13 H new ATOM 0 HG12 VAL B 52 4.766 6.640 7.325 1.00 33.13 H new ATOM 0 HG13 VAL B 52 4.637 7.647 5.864 1.00 33.13 H new ATOM 0 HG21 VAL B 52 3.656 10.185 7.358 1.00 64.54 H new ATOM 0 HG22 VAL B 52 2.886 9.606 5.862 1.00 64.54 H new ATOM 0 HG23 VAL B 52 1.907 9.857 7.327 1.00 64.54 H new ATOM 1839 N GLU B 53 1.501 5.523 8.632 1.00 72.54 N ATOM 1840 CA GLU B 53 1.481 4.223 9.361 1.00 64.44 C ATOM 1841 C GLU B 53 0.749 3.127 8.558 1.00 74.41 C ATOM 1842 O GLU B 53 1.074 1.939 8.685 1.00 0.00 O ATOM 1843 CB GLU B 53 0.834 4.353 10.769 1.00 60.21 C ATOM 1844 CG GLU B 53 1.564 5.299 11.750 1.00 71.13 C ATOM 1845 CD GLU B 53 1.260 6.786 11.525 1.00 70.31 C ATOM 1846 OE1 GLU B 53 0.278 7.283 12.103 1.00 1.40 O ATOM 1847 OE2 GLU B 53 1.997 7.457 10.772 1.00 53.12 O ATOM 0 H GLU B 53 0.971 6.261 9.096 1.00 72.54 H new ATOM 0 HA GLU B 53 2.524 3.931 9.485 1.00 64.44 H new ATOM 0 HB2 GLU B 53 -0.191 4.703 10.648 1.00 60.21 H new ATOM 0 HB3 GLU B 53 0.781 3.362 11.219 1.00 60.21 H new ATOM 0 HG2 GLU B 53 1.287 5.032 12.770 1.00 71.13 H new ATOM 0 HG3 GLU B 53 2.639 5.141 11.660 1.00 71.13 H new ATOM 1854 N ILE B 54 -0.251 3.541 7.759 1.00 22.03 N ATOM 1855 CA ILE B 54 -0.921 2.662 6.783 1.00 5.23 C ATOM 1856 C ILE B 54 0.115 2.110 5.773 1.00 74.25 C ATOM 1857 O ILE B 54 0.223 0.899 5.592 1.00 33.41 O ATOM 1858 CB ILE B 54 -2.055 3.430 6.009 1.00 63.44 C ATOM 1859 CG1 ILE B 54 -3.168 3.936 6.984 1.00 42.04 C ATOM 1860 CG2 ILE B 54 -2.669 2.568 4.875 1.00 34.15 C ATOM 1861 CD1 ILE B 54 -4.161 4.893 6.346 1.00 1.11 C ATOM 0 H ILE B 54 -0.617 4.493 7.772 1.00 22.03 H new ATOM 0 HA ILE B 54 -1.377 1.837 7.330 1.00 5.23 H new ATOM 0 HB ILE B 54 -1.588 4.299 5.545 1.00 63.44 H new ATOM 0 HG12 ILE B 54 -3.710 3.076 7.378 1.00 42.04 H new ATOM 0 HG13 ILE B 54 -2.696 4.431 7.832 1.00 42.04 H new ATOM 0 HG21 ILE B 54 -3.448 3.137 4.367 1.00 34.15 H new ATOM 0 HG22 ILE B 54 -1.891 2.299 4.161 1.00 34.15 H new ATOM 0 HG23 ILE B 54 -3.100 1.662 5.300 1.00 34.15 H new ATOM 0 HD11 ILE B 54 -4.900 5.198 7.087 1.00 1.11 H new ATOM 0 HD12 ILE B 54 -3.633 5.772 5.977 1.00 1.11 H new ATOM 0 HD13 ILE B 54 -4.663 4.396 5.516 1.00 1.11 H new ATOM 1873 N LEU B 55 0.891 3.027 5.161 1.00 41.31 N ATOM 1874 CA LEU B 55 1.936 2.679 4.169 1.00 34.24 C ATOM 1875 C LEU B 55 2.982 1.693 4.751 1.00 45.24 C ATOM 1876 O LEU B 55 3.310 0.691 4.121 1.00 50.33 O ATOM 1877 CB LEU B 55 2.638 3.966 3.658 1.00 54.14 C ATOM 1878 CG LEU B 55 1.722 5.026 2.969 1.00 72.44 C ATOM 1879 CD1 LEU B 55 2.531 6.280 2.552 1.00 71.22 C ATOM 1880 CD2 LEU B 55 0.981 4.412 1.762 1.00 72.32 C ATOM 0 H LEU B 55 0.814 4.029 5.338 1.00 41.31 H new ATOM 0 HA LEU B 55 1.444 2.180 3.334 1.00 34.24 H new ATOM 0 HB2 LEU B 55 3.137 4.442 4.502 1.00 54.14 H new ATOM 0 HB3 LEU B 55 3.415 3.674 2.952 1.00 54.14 H new ATOM 0 HG LEU B 55 0.974 5.344 3.695 1.00 72.44 H new ATOM 0 HD11 LEU B 55 1.866 7.000 2.075 1.00 71.22 H new ATOM 0 HD12 LEU B 55 2.982 6.732 3.435 1.00 71.22 H new ATOM 0 HD13 LEU B 55 3.315 5.991 1.852 1.00 71.22 H new ATOM 0 HD21 LEU B 55 0.349 5.170 1.299 1.00 72.32 H new ATOM 0 HD22 LEU B 55 1.708 4.051 1.034 1.00 72.32 H new ATOM 0 HD23 LEU B 55 0.362 3.581 2.100 1.00 72.32 H new ATOM 1892 N GLN B 56 3.466 1.992 5.971 1.00 52.10 N ATOM 1893 CA GLN B 56 4.431 1.138 6.712 1.00 15.41 C ATOM 1894 C GLN B 56 3.867 -0.284 6.980 1.00 41.33 C ATOM 1895 O GLN B 56 4.589 -1.286 6.874 1.00 53.32 O ATOM 1896 CB GLN B 56 4.796 1.823 8.057 1.00 11.11 C ATOM 1897 CG GLN B 56 5.525 3.182 7.909 1.00 32.32 C ATOM 1898 CD GLN B 56 5.738 3.924 9.235 1.00 30.54 C ATOM 1899 OE1 GLN B 56 5.800 5.238 9.187 1.00 32.43 O flip ATOM 1900 NE2 GLN B 56 5.863 3.322 10.294 1.00 32.31 N flip ATOM 0 H GLN B 56 3.201 2.836 6.479 1.00 52.10 H new ATOM 0 HA GLN B 56 5.321 1.023 6.093 1.00 15.41 H new ATOM 0 HB2 GLN B 56 3.883 1.976 8.632 1.00 11.11 H new ATOM 0 HB3 GLN B 56 5.427 1.148 8.635 1.00 11.11 H new ATOM 0 HG2 GLN B 56 6.494 3.013 7.439 1.00 32.32 H new ATOM 0 HG3 GLN B 56 4.951 3.819 7.236 1.00 32.32 H new ATOM 0 HE21 GLN B 56 5.812 2.303 10.311 1.00 32.31 H new ATOM 0 HE22 GLN B 56 6.018 3.839 11.159 1.00 32.31 H new ATOM 1909 N ARG B 57 2.568 -0.343 7.323 1.00 62.43 N ATOM 1910 CA ARG B 57 1.851 -1.605 7.616 1.00 62.22 C ATOM 1911 C ARG B 57 1.662 -2.460 6.333 1.00 15.12 C ATOM 1912 O ARG B 57 1.742 -3.695 6.378 1.00 15.44 O ATOM 1913 CB ARG B 57 0.471 -1.271 8.249 1.00 2.25 C ATOM 1914 CG ARG B 57 -0.295 -2.457 8.888 1.00 21.53 C ATOM 1915 CD ARG B 57 0.258 -2.891 10.259 1.00 14.01 C ATOM 1916 NE ARG B 57 1.529 -3.635 10.188 1.00 74.24 N ATOM 1917 CZ ARG B 57 2.298 -3.922 11.226 1.00 0.41 C ATOM 1918 NH1 ARG B 57 2.002 -3.504 12.422 1.00 62.20 N ATOM 1919 NH2 ARG B 57 3.358 -4.633 11.059 1.00 40.54 N ATOM 0 H ARG B 57 1.979 0.486 7.406 1.00 62.43 H new ATOM 0 HA ARG B 57 2.447 -2.191 8.316 1.00 62.22 H new ATOM 0 HB2 ARG B 57 0.620 -0.508 9.013 1.00 2.25 H new ATOM 0 HB3 ARG B 57 -0.161 -0.830 7.478 1.00 2.25 H new ATOM 0 HG2 ARG B 57 -1.343 -2.181 9.001 1.00 21.53 H new ATOM 0 HG3 ARG B 57 -0.261 -3.308 8.207 1.00 21.53 H new ATOM 0 HD2 ARG B 57 0.402 -2.005 10.877 1.00 14.01 H new ATOM 0 HD3 ARG B 57 -0.486 -3.511 10.759 1.00 14.01 H new ATOM 0 HE ARG B 57 1.839 -3.952 9.270 1.00 74.24 H new ATOM 0 HH11 ARG B 57 1.163 -2.944 12.573 1.00 62.20 H new ATOM 0 HH12 ARG B 57 2.609 -3.737 13.208 1.00 62.20 H new ATOM 0 HH21 ARG B 57 3.603 -4.973 10.129 1.00 40.54 H new ATOM 0 HH22 ARG B 57 3.953 -4.856 11.857 1.00 40.54 H new ATOM 1933 N VAL B 58 1.393 -1.776 5.200 1.00 41.15 N ATOM 1934 CA VAL B 58 1.263 -2.414 3.871 1.00 75.12 C ATOM 1935 C VAL B 58 2.615 -3.002 3.401 1.00 20.13 C ATOM 1936 O VAL B 58 2.662 -4.137 2.920 1.00 32.13 O ATOM 1937 CB VAL B 58 0.714 -1.404 2.788 1.00 21.25 C ATOM 1938 CG1 VAL B 58 0.705 -2.038 1.376 1.00 15.25 C ATOM 1939 CG2 VAL B 58 -0.702 -0.893 3.156 1.00 5.41 C ATOM 0 H VAL B 58 1.260 -0.765 5.181 1.00 41.15 H new ATOM 0 HA VAL B 58 0.542 -3.225 3.978 1.00 75.12 H new ATOM 0 HB VAL B 58 1.392 -0.551 2.775 1.00 21.25 H new ATOM 0 HG11 VAL B 58 0.321 -1.316 0.655 1.00 15.25 H new ATOM 0 HG12 VAL B 58 1.720 -2.323 1.099 1.00 15.25 H new ATOM 0 HG13 VAL B 58 0.067 -2.922 1.378 1.00 15.25 H new ATOM 0 HG21 VAL B 58 -1.049 -0.200 2.390 1.00 5.41 H new ATOM 0 HG22 VAL B 58 -1.388 -1.737 3.220 1.00 5.41 H new ATOM 0 HG23 VAL B 58 -0.666 -0.382 4.118 1.00 5.41 H new ATOM 1949 N ILE B 59 3.703 -2.215 3.550 1.00 42.43 N ATOM 1950 CA ILE B 59 5.076 -2.667 3.231 1.00 60.43 C ATOM 1951 C ILE B 59 5.408 -3.964 4.007 1.00 32.24 C ATOM 1952 O ILE B 59 5.828 -4.945 3.408 1.00 51.24 O ATOM 1953 CB ILE B 59 6.138 -1.544 3.558 1.00 43.31 C ATOM 1954 CG1 ILE B 59 5.929 -0.298 2.633 1.00 75.22 C ATOM 1955 CG2 ILE B 59 7.593 -2.069 3.449 1.00 21.21 C ATOM 1956 CD1 ILE B 59 6.814 0.899 2.956 1.00 1.44 C ATOM 0 H ILE B 59 3.656 -1.255 3.892 1.00 42.43 H new ATOM 0 HA ILE B 59 5.123 -2.873 2.162 1.00 60.43 H new ATOM 0 HB ILE B 59 5.980 -1.242 4.593 1.00 43.31 H new ATOM 0 HG12 ILE B 59 6.110 -0.596 1.600 1.00 75.22 H new ATOM 0 HG13 ILE B 59 4.886 0.012 2.697 1.00 75.22 H new ATOM 0 HG21 ILE B 59 8.289 -1.263 3.682 1.00 21.21 H new ATOM 0 HG22 ILE B 59 7.738 -2.889 4.153 1.00 21.21 H new ATOM 0 HG23 ILE B 59 7.776 -2.425 2.435 1.00 21.21 H new ATOM 0 HD11 ILE B 59 6.596 1.711 2.262 1.00 1.44 H new ATOM 0 HD12 ILE B 59 6.619 1.231 3.976 1.00 1.44 H new ATOM 0 HD13 ILE B 59 7.862 0.613 2.862 1.00 1.44 H new ATOM 1968 N ASP B 60 5.151 -3.955 5.327 1.00 3.21 N ATOM 1969 CA ASP B 60 5.381 -5.122 6.217 1.00 11.03 C ATOM 1970 C ASP B 60 4.551 -6.369 5.781 1.00 53.21 C ATOM 1971 O ASP B 60 5.049 -7.498 5.840 1.00 5.24 O ATOM 1972 CB ASP B 60 5.039 -4.726 7.671 1.00 13.25 C ATOM 1973 CG ASP B 60 5.338 -5.829 8.703 1.00 53.31 C ATOM 1974 OD1 ASP B 60 6.512 -5.976 9.104 1.00 40.04 O ATOM 1975 OD2 ASP B 60 4.392 -6.532 9.132 1.00 11.22 O ATOM 0 H ASP B 60 4.777 -3.140 5.814 1.00 3.21 H new ATOM 0 HA ASP B 60 6.432 -5.403 6.145 1.00 11.03 H new ATOM 0 HB2 ASP B 60 5.602 -3.831 7.936 1.00 13.25 H new ATOM 0 HB3 ASP B 60 3.982 -4.466 7.728 1.00 13.25 H new ATOM 1980 N TYR B 61 3.290 -6.133 5.352 1.00 51.21 N ATOM 1981 CA TYR B 61 2.395 -7.183 4.787 1.00 62.34 C ATOM 1982 C TYR B 61 3.048 -7.871 3.560 1.00 71.24 C ATOM 1983 O TYR B 61 3.040 -9.101 3.446 1.00 72.21 O ATOM 1984 CB TYR B 61 1.022 -6.544 4.403 1.00 43.42 C ATOM 1985 CG TYR B 61 0.045 -7.465 3.631 1.00 74.02 C ATOM 1986 CD1 TYR B 61 -0.745 -8.409 4.296 1.00 40.31 C ATOM 1987 CD2 TYR B 61 -0.075 -7.387 2.234 1.00 75.34 C ATOM 1988 CE1 TYR B 61 -1.612 -9.232 3.602 1.00 21.41 C ATOM 1989 CE2 TYR B 61 -0.944 -8.211 1.543 1.00 34.53 C ATOM 1990 CZ TYR B 61 -1.709 -9.134 2.228 1.00 31.11 C ATOM 1991 OH TYR B 61 -2.577 -9.963 1.542 1.00 54.12 O ATOM 0 H TYR B 61 2.859 -5.209 5.386 1.00 51.21 H new ATOM 0 HA TYR B 61 2.231 -7.952 5.542 1.00 62.34 H new ATOM 0 HB2 TYR B 61 0.531 -6.208 5.316 1.00 43.42 H new ATOM 0 HB3 TYR B 61 1.211 -5.657 3.798 1.00 43.42 H new ATOM 0 HD1 TYR B 61 -0.676 -8.496 5.370 1.00 40.31 H new ATOM 0 HD2 TYR B 61 0.522 -6.671 1.690 1.00 75.34 H new ATOM 0 HE1 TYR B 61 -2.214 -9.953 4.135 1.00 21.41 H new ATOM 0 HE2 TYR B 61 -1.024 -8.133 0.469 1.00 34.53 H new ATOM 0 HH TYR B 61 -3.339 -10.185 2.116 1.00 54.12 H new ATOM 2001 N ILE B 62 3.612 -7.053 2.655 1.00 33.01 N ATOM 2002 CA ILE B 62 4.284 -7.542 1.431 1.00 11.33 C ATOM 2003 C ILE B 62 5.632 -8.249 1.770 1.00 65.32 C ATOM 2004 O ILE B 62 5.976 -9.262 1.154 1.00 13.21 O ATOM 2005 CB ILE B 62 4.520 -6.363 0.403 1.00 33.03 C ATOM 2006 CG1 ILE B 62 3.182 -5.596 0.113 1.00 14.45 C ATOM 2007 CG2 ILE B 62 5.140 -6.879 -0.921 1.00 31.11 C ATOM 2008 CD1 ILE B 62 3.329 -4.352 -0.760 1.00 2.20 C ATOM 0 H ILE B 62 3.617 -6.037 2.747 1.00 33.01 H new ATOM 0 HA ILE B 62 3.625 -8.275 0.966 1.00 11.33 H new ATOM 0 HB ILE B 62 5.227 -5.671 0.860 1.00 33.03 H new ATOM 0 HG12 ILE B 62 2.485 -6.281 -0.371 1.00 14.45 H new ATOM 0 HG13 ILE B 62 2.734 -5.304 1.063 1.00 14.45 H new ATOM 0 HG21 ILE B 62 5.288 -6.042 -1.604 1.00 31.11 H new ATOM 0 HG22 ILE B 62 6.100 -7.352 -0.713 1.00 31.11 H new ATOM 0 HG23 ILE B 62 4.468 -7.606 -1.378 1.00 31.11 H new ATOM 0 HD11 ILE B 62 2.352 -3.891 -0.904 1.00 2.20 H new ATOM 0 HD12 ILE B 62 3.997 -3.642 -0.272 1.00 2.20 H new ATOM 0 HD13 ILE B 62 3.744 -4.634 -1.728 1.00 2.20 H new ATOM 2020 N LEU B 63 6.377 -7.715 2.765 1.00 74.33 N ATOM 2021 CA LEU B 63 7.676 -8.287 3.214 1.00 71.54 C ATOM 2022 C LEU B 63 7.501 -9.707 3.800 1.00 11.31 C ATOM 2023 O LEU B 63 8.371 -10.566 3.629 1.00 22.12 O ATOM 2024 CB LEU B 63 8.363 -7.370 4.265 1.00 23.40 C ATOM 2025 CG LEU B 63 8.772 -5.940 3.791 1.00 74.21 C ATOM 2026 CD1 LEU B 63 9.454 -5.155 4.932 1.00 74.04 C ATOM 2027 CD2 LEU B 63 9.653 -5.985 2.523 1.00 30.15 C ATOM 0 H LEU B 63 6.100 -6.879 3.280 1.00 74.33 H new ATOM 0 HA LEU B 63 8.313 -8.352 2.332 1.00 71.54 H new ATOM 0 HB2 LEU B 63 7.691 -7.266 5.117 1.00 23.40 H new ATOM 0 HB3 LEU B 63 9.258 -7.877 4.625 1.00 23.40 H new ATOM 0 HG LEU B 63 7.859 -5.409 3.521 1.00 74.21 H new ATOM 0 HD11 LEU B 63 9.729 -4.162 4.577 1.00 74.04 H new ATOM 0 HD12 LEU B 63 8.765 -5.062 5.772 1.00 74.04 H new ATOM 0 HD13 LEU B 63 10.349 -5.686 5.254 1.00 74.04 H new ATOM 0 HD21 LEU B 63 9.916 -4.970 2.226 1.00 30.15 H new ATOM 0 HD22 LEU B 63 10.562 -6.549 2.732 1.00 30.15 H new ATOM 0 HD23 LEU B 63 9.104 -6.468 1.715 1.00 30.15 H new ATOM 2039 N ASP B 64 6.365 -9.928 4.487 1.00 22.04 N ATOM 2040 CA ASP B 64 5.995 -11.249 5.032 1.00 43.33 C ATOM 2041 C ASP B 64 5.817 -12.290 3.893 1.00 62.04 C ATOM 2042 O ASP B 64 6.263 -13.430 4.005 1.00 11.31 O ATOM 2043 CB ASP B 64 4.694 -11.124 5.868 1.00 54.41 C ATOM 2044 CG ASP B 64 4.276 -12.443 6.541 1.00 43.11 C ATOM 2045 OD1 ASP B 64 4.903 -12.816 7.557 1.00 65.35 O ATOM 2046 OD2 ASP B 64 3.348 -13.124 6.045 1.00 64.31 O ATOM 0 H ASP B 64 5.679 -9.198 4.680 1.00 22.04 H new ATOM 0 HA ASP B 64 6.800 -11.599 5.678 1.00 43.33 H new ATOM 0 HB2 ASP B 64 4.834 -10.361 6.634 1.00 54.41 H new ATOM 0 HB3 ASP B 64 3.886 -10.782 5.221 1.00 54.41 H new ATOM 2051 N LEU B 65 5.171 -11.863 2.797 1.00 23.33 N ATOM 2052 CA LEU B 65 4.924 -12.723 1.611 1.00 31.11 C ATOM 2053 C LEU B 65 6.238 -13.073 0.857 1.00 2.43 C ATOM 2054 O LEU B 65 6.382 -14.166 0.303 1.00 21.05 O ATOM 2055 CB LEU B 65 3.916 -12.013 0.659 1.00 14.42 C ATOM 2056 CG LEU B 65 2.561 -11.581 1.309 1.00 22.15 C ATOM 2057 CD1 LEU B 65 1.642 -10.859 0.298 1.00 3.24 C ATOM 2058 CD2 LEU B 65 1.842 -12.784 1.963 1.00 63.13 C ATOM 0 H LEU B 65 4.803 -10.917 2.700 1.00 23.33 H new ATOM 0 HA LEU B 65 4.500 -13.665 1.958 1.00 31.11 H new ATOM 0 HB2 LEU B 65 4.398 -11.128 0.244 1.00 14.42 H new ATOM 0 HB3 LEU B 65 3.701 -12.680 -0.176 1.00 14.42 H new ATOM 0 HG LEU B 65 2.796 -10.866 2.097 1.00 22.15 H new ATOM 0 HD11 LEU B 65 0.711 -10.576 0.790 1.00 3.24 H new ATOM 0 HD12 LEU B 65 2.142 -9.965 -0.074 1.00 3.24 H new ATOM 0 HD13 LEU B 65 1.423 -11.526 -0.536 1.00 3.24 H new ATOM 0 HD21 LEU B 65 0.904 -12.450 2.406 1.00 63.13 H new ATOM 0 HD22 LEU B 65 1.637 -13.541 1.206 1.00 63.13 H new ATOM 0 HD23 LEU B 65 2.478 -13.210 2.739 1.00 63.13 H new ATOM 2070 N GLN B 66 7.189 -12.126 0.861 1.00 44.21 N ATOM 2071 CA GLN B 66 8.474 -12.258 0.125 1.00 3.01 C ATOM 2072 C GLN B 66 9.534 -13.090 0.901 1.00 60.30 C ATOM 2073 O GLN B 66 9.987 -14.140 0.431 1.00 52.31 O ATOM 2074 CB GLN B 66 9.053 -10.847 -0.183 1.00 23.03 C ATOM 2075 CG GLN B 66 8.165 -9.963 -1.079 1.00 65.11 C ATOM 2076 CD GLN B 66 8.711 -8.543 -1.221 1.00 61.32 C ATOM 2077 OE1 GLN B 66 8.372 -7.689 -0.277 1.00 44.21 O flip ATOM 2078 NE2 GLN B 66 9.462 -8.227 -2.137 1.00 41.50 N flip ATOM 0 H GLN B 66 7.098 -11.247 1.370 1.00 44.21 H new ATOM 0 HA GLN B 66 8.254 -12.793 -0.799 1.00 3.01 H new ATOM 0 HB2 GLN B 66 9.225 -10.327 0.759 1.00 23.03 H new ATOM 0 HB3 GLN B 66 10.024 -10.966 -0.663 1.00 23.03 H new ATOM 0 HG2 GLN B 66 8.083 -10.418 -2.066 1.00 65.11 H new ATOM 0 HG3 GLN B 66 7.159 -9.922 -0.662 1.00 65.11 H new ATOM 0 HE21 GLN B 66 9.707 -8.910 -2.854 1.00 41.50 H new ATOM 0 HE22 GLN B 66 9.842 -7.281 -2.182 1.00 41.50 H new ATOM 2087 N VAL B 67 9.913 -12.600 2.101 1.00 60.54 N ATOM 2088 CA VAL B 67 11.124 -13.070 2.844 1.00 13.34 C ATOM 2089 C VAL B 67 10.835 -14.300 3.769 1.00 34.15 C ATOM 2090 O VAL B 67 11.666 -14.736 4.574 1.00 62.21 O ATOM 2091 CB VAL B 67 11.757 -11.864 3.655 1.00 55.15 C ATOM 2092 CG1 VAL B 67 13.164 -12.205 4.191 1.00 70.15 C ATOM 2093 CG2 VAL B 67 11.792 -10.566 2.794 1.00 23.32 C ATOM 0 H VAL B 67 9.396 -11.869 2.589 1.00 60.54 H new ATOM 0 HA VAL B 67 11.847 -13.422 2.108 1.00 13.34 H new ATOM 0 HB VAL B 67 11.114 -11.685 4.517 1.00 55.15 H new ATOM 0 HG11 VAL B 67 13.561 -11.351 4.740 1.00 70.15 H new ATOM 0 HG12 VAL B 67 13.101 -13.067 4.856 1.00 70.15 H new ATOM 0 HG13 VAL B 67 13.825 -12.438 3.356 1.00 70.15 H new ATOM 0 HG21 VAL B 67 12.231 -9.755 3.376 1.00 23.32 H new ATOM 0 HG22 VAL B 67 12.392 -10.738 1.901 1.00 23.32 H new ATOM 0 HG23 VAL B 67 10.777 -10.295 2.503 1.00 23.32 H new ATOM 2103 N VAL B 68 9.652 -14.873 3.600 1.00 2.23 N ATOM 2104 CA VAL B 68 9.237 -16.147 4.246 1.00 52.31 C ATOM 2105 C VAL B 68 8.983 -17.227 3.142 1.00 10.02 C ATOM 2106 O VAL B 68 9.814 -18.153 2.997 1.00 38.10 O ATOM 2107 CB VAL B 68 7.962 -15.966 5.165 1.00 54.00 C ATOM 2108 CG1 VAL B 68 7.568 -17.295 5.852 1.00 22.13 C ATOM 2109 CG2 VAL B 68 8.177 -14.844 6.220 1.00 4.22 C ATOM 2110 OXT VAL B 68 7.994 -17.102 2.385 1.00 38.10 O ATOM 0 H VAL B 68 8.928 -14.472 3.003 1.00 2.23 H new ATOM 0 HA VAL B 68 10.044 -16.476 4.900 1.00 52.31 H new ATOM 0 HB VAL B 68 7.138 -15.665 4.518 1.00 54.00 H new ATOM 0 HG11 VAL B 68 6.689 -17.135 6.476 1.00 22.13 H new ATOM 0 HG12 VAL B 68 7.343 -18.044 5.093 1.00 22.13 H new ATOM 0 HG13 VAL B 68 8.394 -17.643 6.472 1.00 22.13 H new ATOM 0 HG21 VAL B 68 7.282 -14.746 6.834 1.00 4.22 H new ATOM 0 HG22 VAL B 68 9.026 -15.099 6.854 1.00 4.22 H new ATOM 0 HG23 VAL B 68 8.373 -13.900 5.712 1.00 4.22 H new