USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.2!) USER MOD Single : A 39 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.16) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0967 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.941 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.182 F(o=-0.72,f=-0.18) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -0.0861 (180deg=-0.263) USER MOD Single : A 66 THR OG1 : rot 140:sc= -0.647 USER MOD Single : A 67 MET CE :methyl 163:sc= -0.821 (180deg=-1.12) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.206 F(o=-1.2,f=-0.21) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -143:sc=-3.25e-05 (180deg=-0.244) USER MOD Single : A 88 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 89 TYR OH : rot -68:sc= 0.0278 USER MOD Single : A 90 THR OG1 : rot 36:sc= 0.333 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 13.875 1.620 7.171 1.00 32.42 N ATOM 433 CA VAL A 31 13.483 2.049 5.835 1.00 43.21 C ATOM 434 C VAL A 31 12.971 0.876 5.007 1.00 33.43 C ATOM 435 O VAL A 31 13.320 0.730 3.837 1.00 55.54 O ATOM 436 CB VAL A 31 14.658 2.713 5.091 1.00 31.22 C ATOM 437 CG1 VAL A 31 15.090 3.985 5.804 1.00 5.11 C ATOM 438 CG2 VAL A 31 15.822 1.742 4.962 1.00 41.02 C ATOM 0 HA VAL A 31 12.682 2.778 5.960 1.00 43.21 H new ATOM 0 HB VAL A 31 14.326 2.982 4.088 1.00 31.22 H new ATOM 0 HG11 VAL A 31 15.921 4.440 5.265 1.00 5.11 H new ATOM 0 HG12 VAL A 31 14.254 4.684 5.840 1.00 5.11 H new ATOM 0 HG13 VAL A 31 15.405 3.744 6.819 1.00 5.11 H new ATOM 0 HG21 VAL A 31 16.643 2.227 4.434 1.00 41.02 H new ATOM 0 HG22 VAL A 31 16.156 1.441 5.955 1.00 41.02 H new ATOM 0 HG23 VAL A 31 15.502 0.862 4.404 1.00 41.02 H new ATOM 448 N GLU A 32 12.141 0.041 5.625 1.00 34.41 N ATOM 449 CA GLU A 32 11.580 -1.121 4.946 1.00 63.15 C ATOM 450 C GLU A 32 10.312 -0.747 4.185 1.00 72.00 C ATOM 451 O GLU A 32 9.861 -1.483 3.307 1.00 34.45 O ATOM 452 CB GLU A 32 11.276 -2.231 5.954 1.00 71.35 C ATOM 453 CG GLU A 32 10.046 -1.960 6.804 1.00 72.23 C ATOM 454 CD GLU A 32 9.736 -3.097 7.759 1.00 41.43 C ATOM 455 OE1 GLU A 32 9.293 -2.815 8.893 1.00 11.40 O ATOM 456 OE2 GLU A 32 9.935 -4.268 7.373 1.00 12.54 O ATOM 0 H GLU A 32 11.842 0.148 6.594 1.00 34.41 H new ATOM 0 HA GLU A 32 12.318 -1.483 4.230 1.00 63.15 H new ATOM 0 HB2 GLU A 32 11.137 -3.170 5.417 1.00 71.35 H new ATOM 0 HB3 GLU A 32 12.138 -2.362 6.608 1.00 71.35 H new ATOM 0 HG2 GLU A 32 10.197 -1.043 7.373 1.00 72.23 H new ATOM 0 HG3 GLU A 32 9.188 -1.793 6.153 1.00 72.23 H new ATOM 464 N SER A 33 9.739 0.403 4.529 1.00 3.34 N ATOM 465 CA SER A 33 8.520 0.874 3.883 1.00 53.00 C ATOM 466 C SER A 33 8.784 2.149 3.088 1.00 1.32 C ATOM 467 O SER A 33 8.024 2.500 2.185 1.00 33.43 O ATOM 468 CB SER A 33 7.429 1.125 4.926 1.00 2.31 C ATOM 469 OG SER A 33 7.450 0.132 5.935 1.00 61.44 O ATOM 0 H SER A 33 10.100 1.025 5.252 1.00 3.34 H new ATOM 0 HA SER A 33 8.182 0.101 3.193 1.00 53.00 H new ATOM 0 HB2 SER A 33 7.571 2.108 5.376 1.00 2.31 H new ATOM 0 HB3 SER A 33 6.453 1.134 4.441 1.00 2.31 H new ATOM 0 HG SER A 33 6.745 0.316 6.590 1.00 61.44 H new ATOM 475 N ASP A 34 9.867 2.839 3.431 1.00 63.03 N ATOM 476 CA ASP A 34 10.234 4.075 2.750 1.00 53.01 C ATOM 477 C ASP A 34 10.481 3.824 1.265 1.00 10.13 C ATOM 478 O ASP A 34 10.286 4.713 0.434 1.00 62.31 O ATOM 479 CB ASP A 34 11.479 4.686 3.392 1.00 63.21 C ATOM 480 CG ASP A 34 11.913 5.968 2.709 1.00 1.33 C ATOM 481 OD1 ASP A 34 13.130 6.140 2.488 1.00 62.22 O ATOM 482 OD2 ASP A 34 11.036 6.799 2.396 1.00 62.33 O ATOM 0 H ASP A 34 10.506 2.563 4.177 1.00 63.03 H new ATOM 0 HA ASP A 34 9.405 4.776 2.848 1.00 53.01 H new ATOM 0 HB2 ASP A 34 11.280 4.888 4.444 1.00 63.21 H new ATOM 0 HB3 ASP A 34 12.295 3.964 3.355 1.00 63.21 H new ATOM 488 N LEU A 35 10.914 2.611 0.940 1.00 0.42 N ATOM 489 CA LEU A 35 11.191 2.244 -0.445 1.00 14.21 C ATOM 490 C LEU A 35 9.986 1.555 -1.077 1.00 33.15 C ATOM 491 O LEU A 35 10.099 0.922 -2.127 1.00 11.51 O ATOM 492 CB LEU A 35 12.413 1.327 -0.515 1.00 42.41 C ATOM 493 CG LEU A 35 13.775 2.019 -0.469 1.00 33.34 C ATOM 494 CD1 LEU A 35 14.893 0.992 -0.382 1.00 30.21 C ATOM 495 CD2 LEU A 35 13.963 2.913 -1.686 1.00 15.03 C ATOM 0 H LEU A 35 11.081 1.865 1.616 1.00 0.42 H new ATOM 0 HA LEU A 35 11.398 3.157 -1.003 1.00 14.21 H new ATOM 0 HB2 LEU A 35 12.359 0.620 0.313 1.00 42.41 H new ATOM 0 HB3 LEU A 35 12.354 0.746 -1.435 1.00 42.41 H new ATOM 0 HG LEU A 35 13.812 2.644 0.424 1.00 33.34 H new ATOM 0 HD11 LEU A 35 15.855 1.503 -0.350 1.00 30.21 H new ATOM 0 HD12 LEU A 35 14.769 0.395 0.522 1.00 30.21 H new ATOM 0 HD13 LEU A 35 14.857 0.340 -1.255 1.00 30.21 H new ATOM 0 HD21 LEU A 35 14.938 3.397 -1.635 1.00 15.03 H new ATOM 0 HD22 LEU A 35 13.904 2.311 -2.593 1.00 15.03 H new ATOM 0 HD23 LEU A 35 13.182 3.673 -1.703 1.00 15.03 H new ATOM 507 N ASP A 36 8.832 1.682 -0.430 1.00 42.03 N ATOM 508 CA ASP A 36 7.605 1.074 -0.930 1.00 52.10 C ATOM 509 C ASP A 36 7.216 1.664 -2.282 1.00 45.21 C ATOM 510 O ASP A 36 6.574 1.004 -3.097 1.00 71.42 O ATOM 511 CB ASP A 36 6.466 1.274 0.072 1.00 22.33 C ATOM 512 CG ASP A 36 6.551 0.314 1.243 1.00 55.01 C ATOM 513 OD1 ASP A 36 7.307 -0.676 1.146 1.00 21.21 O ATOM 514 OD2 ASP A 36 5.861 0.552 2.256 1.00 5.22 O ATOM 0 H ASP A 36 8.721 2.200 0.441 1.00 42.03 H new ATOM 0 HA ASP A 36 7.785 0.007 -1.057 1.00 52.10 H new ATOM 0 HB2 ASP A 36 6.488 2.299 0.443 1.00 22.33 H new ATOM 0 HB3 ASP A 36 5.511 1.140 -0.436 1.00 22.33 H new ATOM 520 N MET A 37 7.612 2.912 -2.513 1.00 1.13 N ATOM 521 CA MET A 37 7.306 3.591 -3.767 1.00 21.14 C ATOM 522 C MET A 37 8.219 3.102 -4.886 1.00 23.20 C ATOM 523 O MET A 37 7.861 3.164 -6.062 1.00 75.32 O ATOM 524 CB MET A 37 7.450 5.105 -3.599 1.00 60.13 C ATOM 525 CG MET A 37 7.428 5.867 -4.915 1.00 70.40 C ATOM 526 SD MET A 37 6.716 7.514 -4.752 1.00 14.21 S ATOM 527 CE MET A 37 5.024 7.202 -5.252 1.00 10.42 C ATOM 0 H MET A 37 8.145 3.473 -1.849 1.00 1.13 H new ATOM 0 HA MET A 37 6.276 3.359 -4.036 1.00 21.14 H new ATOM 0 HB2 MET A 37 6.643 5.470 -2.963 1.00 60.13 H new ATOM 0 HB3 MET A 37 8.385 5.318 -3.081 1.00 60.13 H new ATOM 0 HG2 MET A 37 8.445 5.951 -5.298 1.00 70.40 H new ATOM 0 HG3 MET A 37 6.856 5.299 -5.649 1.00 70.40 H new ATOM 0 HE1 MET A 37 4.453 8.129 -5.204 1.00 10.42 H new ATOM 0 HE2 MET A 37 5.011 6.820 -6.273 1.00 10.42 H new ATOM 0 HE3 MET A 37 4.577 6.466 -4.584 1.00 10.42 H new ATOM 537 N GLN A 38 9.399 2.617 -4.513 1.00 11.01 N ATOM 538 CA GLN A 38 10.362 2.120 -5.487 1.00 64.21 C ATOM 539 C GLN A 38 9.913 0.779 -6.061 1.00 51.32 C ATOM 540 O GLN A 38 10.356 0.375 -7.136 1.00 31.12 O ATOM 541 CB GLN A 38 11.743 1.975 -4.844 1.00 32.23 C ATOM 542 CG GLN A 38 12.852 2.660 -5.624 1.00 41.45 C ATOM 543 CD GLN A 38 14.204 2.535 -4.950 1.00 24.52 C ATOM 544 OE1 GLN A 38 14.735 1.434 -4.799 1.00 23.02 O ATOM 545 NE2 GLN A 38 14.769 3.664 -4.540 1.00 3.43 N ATOM 0 H GLN A 38 9.710 2.558 -3.544 1.00 11.01 H new ATOM 0 HA GLN A 38 10.422 2.842 -6.301 1.00 64.21 H new ATOM 0 HB2 GLN A 38 11.710 2.388 -3.836 1.00 32.23 H new ATOM 0 HB3 GLN A 38 11.980 0.915 -4.747 1.00 32.23 H new ATOM 0 HG2 GLN A 38 12.908 2.229 -6.624 1.00 41.45 H new ATOM 0 HG3 GLN A 38 12.607 3.715 -5.745 1.00 41.45 H new ATOM 0 HE21 GLN A 38 14.293 4.555 -4.686 1.00 3.43 H new ATOM 0 HE22 GLN A 38 15.679 3.641 -4.079 1.00 3.43 H new ATOM 554 N GLN A 39 9.033 0.096 -5.337 1.00 32.32 N ATOM 555 CA GLN A 39 8.525 -1.199 -5.774 1.00 22.33 C ATOM 556 C GLN A 39 7.991 -1.121 -7.200 1.00 21.51 C ATOM 557 O GLN A 39 8.442 -1.851 -8.083 1.00 13.34 O ATOM 558 CB GLN A 39 7.424 -1.684 -4.829 1.00 21.13 C ATOM 559 CG GLN A 39 7.916 -1.979 -3.422 1.00 73.20 C ATOM 560 CD GLN A 39 9.071 -2.960 -3.401 1.00 2.41 C ATOM 561 OE1 GLN A 39 8.870 -4.173 -3.336 1.00 44.01 O ATOM 562 NE2 GLN A 39 10.291 -2.439 -3.456 1.00 21.41 N ATOM 0 H GLN A 39 8.657 0.418 -4.445 1.00 32.32 H new ATOM 0 HA GLN A 39 9.350 -1.911 -5.754 1.00 22.33 H new ATOM 0 HB2 GLN A 39 6.640 -0.928 -4.780 1.00 21.13 H new ATOM 0 HB3 GLN A 39 6.972 -2.585 -5.243 1.00 21.13 H new ATOM 0 HG2 GLN A 39 8.226 -1.048 -2.947 1.00 73.20 H new ATOM 0 HG3 GLN A 39 7.093 -2.380 -2.830 1.00 73.20 H new ATOM 0 HE21 GLN A 39 10.412 -1.428 -3.509 1.00 21.41 H new ATOM 0 HE22 GLN A 39 11.108 -3.050 -3.445 1.00 21.41 H new ATOM 571 N ALA A 40 7.027 -0.232 -7.418 1.00 21.31 N ATOM 572 CA ALA A 40 6.433 -0.058 -8.737 1.00 24.11 C ATOM 573 C ALA A 40 7.466 0.437 -9.743 1.00 11.20 C ATOM 574 O ALA A 40 7.330 0.215 -10.946 1.00 10.51 O ATOM 575 CB ALA A 40 5.259 0.907 -8.664 1.00 61.20 C ATOM 0 H ALA A 40 6.641 0.379 -6.698 1.00 21.31 H new ATOM 0 HA ALA A 40 6.070 -1.028 -9.076 1.00 24.11 H new ATOM 0 HB1 ALA A 40 4.825 1.028 -9.657 1.00 61.20 H new ATOM 0 HB2 ALA A 40 4.505 0.512 -7.984 1.00 61.20 H new ATOM 0 HB3 ALA A 40 5.605 1.874 -8.299 1.00 61.20 H new ATOM 581 N MET A 41 8.497 1.111 -9.244 1.00 31.41 N ATOM 582 CA MET A 41 9.553 1.637 -10.101 1.00 34.25 C ATOM 583 C MET A 41 10.510 0.528 -10.527 1.00 64.13 C ATOM 584 O MET A 41 11.162 0.624 -11.568 1.00 32.24 O ATOM 585 CB MET A 41 10.325 2.741 -9.374 1.00 41.42 C ATOM 586 CG MET A 41 9.439 3.863 -8.859 1.00 72.12 C ATOM 587 SD MET A 41 9.042 5.076 -10.133 1.00 1.44 S ATOM 588 CE MET A 41 10.501 6.114 -10.077 1.00 44.14 C ATOM 0 H MET A 41 8.624 1.306 -8.251 1.00 31.41 H new ATOM 0 HA MET A 41 9.088 2.055 -10.994 1.00 34.25 H new ATOM 0 HB2 MET A 41 10.867 2.303 -8.536 1.00 41.42 H new ATOM 0 HB3 MET A 41 11.070 3.159 -10.051 1.00 41.42 H new ATOM 0 HG2 MET A 41 8.515 3.439 -8.466 1.00 72.12 H new ATOM 0 HG3 MET A 41 9.939 4.363 -8.030 1.00 72.12 H new ATOM 0 HE1 MET A 41 10.407 6.914 -10.811 1.00 44.14 H new ATOM 0 HE2 MET A 41 10.603 6.545 -9.081 1.00 44.14 H new ATOM 0 HE3 MET A 41 11.383 5.515 -10.305 1.00 44.14 H new ATOM 598 N LEU A 42 10.590 -0.522 -9.718 1.00 44.14 N ATOM 599 CA LEU A 42 11.468 -1.650 -10.013 1.00 20.11 C ATOM 600 C LEU A 42 10.851 -2.559 -11.070 1.00 75.22 C ATOM 601 O LEU A 42 11.502 -3.472 -11.577 1.00 42.23 O ATOM 602 CB LEU A 42 11.749 -2.448 -8.739 1.00 62.31 C ATOM 603 CG LEU A 42 13.053 -2.116 -8.013 1.00 2.43 C ATOM 604 CD1 LEU A 42 14.248 -2.355 -8.924 1.00 2.51 C ATOM 605 CD2 LEU A 42 13.037 -0.676 -7.519 1.00 64.24 C ATOM 0 H LEU A 42 10.058 -0.617 -8.853 1.00 44.14 H new ATOM 0 HA LEU A 42 12.407 -1.256 -10.403 1.00 20.11 H new ATOM 0 HB2 LEU A 42 10.921 -2.292 -8.047 1.00 62.31 H new ATOM 0 HB3 LEU A 42 11.757 -3.508 -8.993 1.00 62.31 H new ATOM 0 HG LEU A 42 13.143 -2.775 -7.149 1.00 2.43 H new ATOM 0 HD11 LEU A 42 15.167 -2.113 -8.390 1.00 2.51 H new ATOM 0 HD12 LEU A 42 14.270 -3.401 -9.228 1.00 2.51 H new ATOM 0 HD13 LEU A 42 14.165 -1.722 -9.807 1.00 2.51 H new ATOM 0 HD21 LEU A 42 13.973 -0.457 -7.005 1.00 64.24 H new ATOM 0 HD22 LEU A 42 12.923 -0.001 -8.368 1.00 64.24 H new ATOM 0 HD23 LEU A 42 12.204 -0.537 -6.830 1.00 64.24 H new ATOM 617 N THR A 43 9.588 -2.302 -11.400 1.00 62.45 N ATOM 618 CA THR A 43 8.883 -3.096 -12.399 1.00 1.32 C ATOM 619 C THR A 43 8.383 -2.223 -13.544 1.00 11.14 C ATOM 620 O THR A 43 8.863 -2.326 -14.671 1.00 23.34 O ATOM 621 CB THR A 43 7.687 -3.844 -11.779 1.00 4.22 C ATOM 622 OG1 THR A 43 6.606 -3.901 -12.715 1.00 50.32 O ATOM 623 CG2 THR A 43 7.224 -3.159 -10.502 1.00 70.44 C ATOM 0 H THR A 43 9.033 -1.551 -10.990 1.00 62.45 H new ATOM 0 HA THR A 43 9.597 -3.823 -12.786 1.00 1.32 H new ATOM 0 HB THR A 43 8.007 -4.857 -11.534 1.00 4.22 H new ATOM 0 HG1 THR A 43 5.851 -4.379 -12.314 1.00 50.32 H new ATOM 0 HG21 THR A 43 6.379 -3.705 -10.082 1.00 70.44 H new ATOM 0 HG22 THR A 43 8.041 -3.144 -9.780 1.00 70.44 H new ATOM 0 HG23 THR A 43 6.920 -2.137 -10.727 1.00 70.44 H new ATOM 631 N ASN A 44 7.416 -1.361 -13.245 1.00 62.14 N ATOM 632 CA ASN A 44 6.851 -0.469 -14.251 1.00 1.40 C ATOM 633 C ASN A 44 6.381 -1.253 -15.473 1.00 21.23 C ATOM 634 O ASN A 44 7.156 -1.514 -16.393 1.00 10.34 O ATOM 635 CB ASN A 44 7.884 0.580 -14.671 1.00 33.34 C ATOM 636 CG ASN A 44 7.349 1.528 -15.726 1.00 13.50 C ATOM 637 OD1 ASN A 44 7.817 1.535 -16.864 1.00 41.43 O ATOM 638 ND2 ASN A 44 6.363 2.335 -15.352 1.00 20.45 N ATOM 0 H ASN A 44 7.008 -1.262 -12.315 1.00 62.14 H new ATOM 0 HA ASN A 44 5.990 0.034 -13.811 1.00 1.40 H new ATOM 0 HB2 ASN A 44 8.194 1.152 -13.796 1.00 33.34 H new ATOM 0 HB3 ASN A 44 8.772 0.078 -15.054 1.00 33.34 H new ATOM 0 HD21 ASN A 44 5.963 2.995 -16.019 1.00 20.45 H new ATOM 0 HD22 ASN A 44 6.005 2.295 -14.398 1.00 20.45 H new ATOM 718 N VAL A 49 0.429 3.023 -18.851 1.00 42.02 N ATOM 719 CA VAL A 49 -0.196 2.602 -17.603 1.00 13.43 C ATOM 720 C VAL A 49 -0.184 3.729 -16.576 1.00 2.23 C ATOM 721 O VAL A 49 -1.091 3.843 -15.751 1.00 22.14 O ATOM 722 CB VAL A 49 0.511 1.372 -17.006 1.00 61.02 C ATOM 723 CG1 VAL A 49 0.031 1.115 -15.586 1.00 72.44 C ATOM 724 CG2 VAL A 49 0.284 0.150 -17.884 1.00 0.33 C ATOM 0 HA VAL A 49 -1.227 2.339 -17.839 1.00 13.43 H new ATOM 0 HB VAL A 49 1.582 1.572 -16.970 1.00 61.02 H new ATOM 0 HG11 VAL A 49 0.542 0.242 -15.182 1.00 72.44 H new ATOM 0 HG12 VAL A 49 0.250 1.984 -14.965 1.00 72.44 H new ATOM 0 HG13 VAL A 49 -1.044 0.935 -15.592 1.00 72.44 H new ATOM 0 HG21 VAL A 49 0.791 -0.711 -17.448 1.00 0.33 H new ATOM 0 HG22 VAL A 49 -0.784 -0.055 -17.954 1.00 0.33 H new ATOM 0 HG23 VAL A 49 0.683 0.339 -18.881 1.00 0.33 H new ATOM 734 N LEU A 50 0.851 4.561 -16.632 1.00 12.23 N ATOM 735 CA LEU A 50 0.983 5.682 -15.706 1.00 33.00 C ATOM 736 C LEU A 50 -0.198 6.639 -15.839 1.00 23.35 C ATOM 737 O LEU A 50 -0.598 7.285 -14.871 1.00 15.20 O ATOM 738 CB LEU A 50 2.292 6.430 -15.963 1.00 22.22 C ATOM 739 CG LEU A 50 3.559 5.574 -15.994 1.00 12.31 C ATOM 740 CD1 LEU A 50 4.731 6.375 -16.538 1.00 25.34 C ATOM 741 CD2 LEU A 50 3.875 5.039 -14.604 1.00 73.04 C ATOM 0 H LEU A 50 1.611 4.481 -17.308 1.00 12.23 H new ATOM 0 HA LEU A 50 0.993 5.284 -14.691 1.00 33.00 H new ATOM 0 HB2 LEU A 50 2.207 6.953 -16.916 1.00 22.22 H new ATOM 0 HB3 LEU A 50 2.410 7.191 -15.191 1.00 22.22 H new ATOM 0 HG LEU A 50 3.386 4.726 -16.657 1.00 12.31 H new ATOM 0 HD11 LEU A 50 5.624 5.750 -16.553 1.00 25.34 H new ATOM 0 HD12 LEU A 50 4.505 6.708 -17.551 1.00 25.34 H new ATOM 0 HD13 LEU A 50 4.906 7.242 -15.901 1.00 25.34 H new ATOM 0 HD21 LEU A 50 4.780 4.432 -14.645 1.00 73.04 H new ATOM 0 HD22 LEU A 50 4.028 5.873 -13.919 1.00 73.04 H new ATOM 0 HD23 LEU A 50 3.044 4.428 -14.252 1.00 73.04 H new ATOM 753 N LYS A 51 -0.752 6.724 -17.043 1.00 4.12 N ATOM 754 CA LYS A 51 -1.889 7.600 -17.303 1.00 64.21 C ATOM 755 C LYS A 51 -3.003 7.359 -16.290 1.00 33.21 C ATOM 756 O LYS A 51 -3.745 8.276 -15.940 1.00 2.33 O ATOM 757 CB LYS A 51 -2.417 7.375 -18.722 1.00 74.23 C ATOM 758 CG LYS A 51 -1.443 7.795 -19.808 1.00 41.13 C ATOM 759 CD LYS A 51 -1.476 9.297 -20.037 1.00 14.12 C ATOM 760 CE LYS A 51 -0.578 9.704 -21.195 1.00 54.41 C ATOM 761 NZ LYS A 51 -0.871 11.087 -21.663 1.00 13.30 N ATOM 0 H LYS A 51 -0.432 6.197 -17.855 1.00 4.12 H new ATOM 0 HA LYS A 51 -1.552 8.632 -17.207 1.00 64.21 H new ATOM 0 HB2 LYS A 51 -2.655 6.319 -18.848 1.00 74.23 H new ATOM 0 HB3 LYS A 51 -3.347 7.929 -18.846 1.00 74.23 H new ATOM 0 HG2 LYS A 51 -0.434 7.491 -19.530 1.00 41.13 H new ATOM 0 HG3 LYS A 51 -1.687 7.279 -20.737 1.00 41.13 H new ATOM 0 HD2 LYS A 51 -2.499 9.613 -20.240 1.00 14.12 H new ATOM 0 HD3 LYS A 51 -1.158 9.811 -19.130 1.00 14.12 H new ATOM 0 HE2 LYS A 51 0.465 9.638 -20.886 1.00 54.41 H new ATOM 0 HE3 LYS A 51 -0.711 9.005 -22.021 1.00 54.41 H new ATOM 0 HZ1 LYS A 51 -0.239 11.328 -22.453 1.00 13.30 H new ATOM 0 HZ2 LYS A 51 -1.859 11.144 -21.981 1.00 13.30 H new ATOM 0 HZ3 LYS A 51 -0.720 11.757 -20.882 1.00 13.30 H new ATOM 775 N ALA A 52 -3.114 6.120 -15.822 1.00 72.12 N ATOM 776 CA ALA A 52 -4.136 5.761 -14.847 1.00 30.05 C ATOM 777 C ALA A 52 -3.811 6.339 -13.473 1.00 5.11 C ATOM 778 O ALA A 52 -4.701 6.782 -12.747 1.00 74.05 O ATOM 779 CB ALA A 52 -4.279 4.249 -14.764 1.00 65.43 C ATOM 0 H ALA A 52 -2.509 5.348 -16.102 1.00 72.12 H new ATOM 0 HA ALA A 52 -5.083 6.187 -15.177 1.00 30.05 H new ATOM 0 HB1 ALA A 52 -5.046 3.996 -14.032 1.00 65.43 H new ATOM 0 HB2 ALA A 52 -4.565 3.856 -15.740 1.00 65.43 H new ATOM 0 HB3 ALA A 52 -3.329 3.810 -14.461 1.00 65.43 H new ATOM 785 N LEU A 53 -2.529 6.331 -13.121 1.00 43.45 N ATOM 786 CA LEU A 53 -2.086 6.855 -11.834 1.00 54.04 C ATOM 787 C LEU A 53 -2.445 8.330 -11.693 1.00 1.42 C ATOM 788 O LEU A 53 -2.499 8.862 -10.585 1.00 33.12 O ATOM 789 CB LEU A 53 -0.576 6.667 -11.678 1.00 11.21 C ATOM 790 CG LEU A 53 -0.057 5.239 -11.839 1.00 64.41 C ATOM 791 CD1 LEU A 53 1.461 5.229 -11.929 1.00 3.40 C ATOM 792 CD2 LEU A 53 -0.529 4.366 -10.684 1.00 43.32 C ATOM 0 H LEU A 53 -1.779 5.967 -13.709 1.00 43.45 H new ATOM 0 HA LEU A 53 -2.598 6.300 -11.048 1.00 54.04 H new ATOM 0 HB2 LEU A 53 -0.074 7.299 -12.410 1.00 11.21 H new ATOM 0 HB3 LEU A 53 -0.285 7.029 -10.692 1.00 11.21 H new ATOM 0 HG LEU A 53 -0.459 4.830 -12.766 1.00 64.41 H new ATOM 0 HD11 LEU A 53 1.812 4.203 -12.043 1.00 3.40 H new ATOM 0 HD12 LEU A 53 1.778 5.819 -12.789 1.00 3.40 H new ATOM 0 HD13 LEU A 53 1.882 5.657 -11.019 1.00 3.40 H new ATOM 0 HD21 LEU A 53 -0.150 3.353 -10.815 1.00 43.32 H new ATOM 0 HD22 LEU A 53 -0.157 4.774 -9.744 1.00 43.32 H new ATOM 0 HD23 LEU A 53 -1.619 4.346 -10.665 1.00 43.32 H new ATOM 804 N GLU A 54 -2.690 8.985 -12.824 1.00 21.34 N ATOM 805 CA GLU A 54 -3.045 10.399 -12.825 1.00 0.52 C ATOM 806 C GLU A 54 -4.374 10.628 -12.111 1.00 71.34 C ATOM 807 O GLU A 54 -4.518 11.569 -11.332 1.00 52.33 O ATOM 808 CB GLU A 54 -3.126 10.925 -14.260 1.00 14.53 C ATOM 809 CG GLU A 54 -1.842 10.742 -15.049 1.00 40.25 C ATOM 810 CD GLU A 54 -1.643 11.817 -16.100 1.00 15.01 C ATOM 811 OE1 GLU A 54 -0.979 12.830 -15.794 1.00 32.30 O ATOM 812 OE2 GLU A 54 -2.153 11.647 -17.228 1.00 2.12 O ATOM 0 H GLU A 54 -2.649 8.559 -13.750 1.00 21.34 H new ATOM 0 HA GLU A 54 -2.267 10.943 -12.289 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -3.937 10.415 -14.779 1.00 14.53 H new ATOM 0 HB3 GLU A 54 -3.379 11.985 -14.236 1.00 14.53 H new ATOM 0 HG2 GLU A 54 -0.995 10.749 -14.363 1.00 40.25 H new ATOM 0 HG3 GLU A 54 -1.853 9.765 -15.532 1.00 40.25 H new ATOM 820 N ARG A 55 -5.343 9.759 -12.385 1.00 23.33 N ATOM 821 CA ARG A 55 -6.661 9.866 -11.771 1.00 62.02 C ATOM 822 C ARG A 55 -6.636 9.349 -10.336 1.00 1.23 C ATOM 823 O ARG A 55 -7.359 9.845 -9.472 1.00 33.42 O ATOM 824 CB ARG A 55 -7.692 9.086 -12.588 1.00 30.42 C ATOM 825 CG ARG A 55 -9.029 8.923 -11.885 1.00 14.33 C ATOM 826 CD ARG A 55 -9.632 10.270 -11.515 1.00 43.11 C ATOM 827 NE ARG A 55 -11.031 10.375 -11.924 1.00 24.10 N ATOM 828 CZ ARG A 55 -11.833 11.366 -11.551 1.00 25.21 C ATOM 829 NH1 ARG A 55 -11.378 12.331 -10.765 1.00 43.10 N ATOM 830 NH2 ARG A 55 -13.094 11.391 -11.965 1.00 20.14 N ATOM 0 H ARG A 55 -5.239 8.974 -13.028 1.00 23.33 H new ATOM 0 HA ARG A 55 -6.942 10.919 -11.754 1.00 62.02 H new ATOM 0 HB2 ARG A 55 -7.851 9.595 -13.538 1.00 30.42 H new ATOM 0 HB3 ARG A 55 -7.290 8.100 -12.818 1.00 30.42 H new ATOM 0 HG2 ARG A 55 -9.718 8.380 -12.532 1.00 14.33 H new ATOM 0 HG3 ARG A 55 -8.897 8.323 -10.985 1.00 14.33 H new ATOM 0 HD2 ARG A 55 -9.557 10.417 -10.438 1.00 43.11 H new ATOM 0 HD3 ARG A 55 -9.056 11.067 -11.986 1.00 43.11 H new ATOM 0 HE ARG A 55 -11.412 9.648 -12.529 1.00 24.10 H new ATOM 0 HH11 ARG A 55 -10.410 12.314 -10.445 1.00 43.10 H new ATOM 0 HH12 ARG A 55 -11.996 13.091 -10.480 1.00 43.10 H new ATOM 0 HH21 ARG A 55 -13.447 10.649 -12.570 1.00 20.14 H new ATOM 0 HH22 ARG A 55 -13.710 12.152 -11.679 1.00 20.14 H new ATOM 844 N THR A 56 -5.797 8.348 -10.087 1.00 50.13 N ATOM 845 CA THR A 56 -5.678 7.761 -8.759 1.00 12.45 C ATOM 846 C THR A 56 -4.962 8.708 -7.802 1.00 40.40 C ATOM 847 O THR A 56 -5.407 8.919 -6.673 1.00 1.11 O ATOM 848 CB THR A 56 -4.919 6.422 -8.801 1.00 2.33 C ATOM 849 OG1 THR A 56 -3.520 6.657 -8.990 1.00 4.45 O ATOM 850 CG2 THR A 56 -5.445 5.537 -9.921 1.00 33.15 C ATOM 0 H THR A 56 -5.189 7.927 -10.790 1.00 50.13 H new ATOM 0 HA THR A 56 -6.692 7.583 -8.401 1.00 12.45 H new ATOM 0 HB THR A 56 -5.076 5.911 -7.851 1.00 2.33 H new ATOM 0 HG1 THR A 56 -3.045 5.800 -9.014 1.00 4.45 H new ATOM 0 HG21 THR A 56 -4.894 4.597 -9.931 1.00 33.15 H new ATOM 0 HG22 THR A 56 -6.504 5.335 -9.759 1.00 33.15 H new ATOM 0 HG23 THR A 56 -5.315 6.044 -10.877 1.00 33.15 H new ATOM 858 N ARG A 57 -3.852 9.277 -8.261 1.00 21.22 N ATOM 859 CA ARG A 57 -3.074 10.202 -7.445 1.00 33.54 C ATOM 860 C ARG A 57 -3.939 11.366 -6.968 1.00 62.11 C ATOM 861 O ARG A 57 -3.672 11.963 -5.927 1.00 21.14 O ATOM 862 CB ARG A 57 -1.878 10.732 -8.236 1.00 24.54 C ATOM 863 CG ARG A 57 -2.263 11.670 -9.367 1.00 14.12 C ATOM 864 CD ARG A 57 -1.068 12.473 -9.857 1.00 22.42 C ATOM 865 NE ARG A 57 0.060 11.614 -10.211 1.00 72.04 N ATOM 866 CZ ARG A 57 1.298 12.061 -10.384 1.00 63.43 C ATOM 867 NH1 ARG A 57 1.568 13.350 -10.235 1.00 53.53 N ATOM 868 NH2 ARG A 57 2.270 11.217 -10.705 1.00 45.42 N ATOM 0 H ARG A 57 -3.471 9.114 -9.193 1.00 21.22 H new ATOM 0 HA ARG A 57 -2.711 9.660 -6.572 1.00 33.54 H new ATOM 0 HB2 ARG A 57 -1.206 11.254 -7.555 1.00 24.54 H new ATOM 0 HB3 ARG A 57 -1.323 9.889 -8.648 1.00 24.54 H new ATOM 0 HG2 ARG A 57 -2.679 11.094 -10.193 1.00 14.12 H new ATOM 0 HG3 ARG A 57 -3.045 12.350 -9.027 1.00 14.12 H new ATOM 0 HD2 ARG A 57 -1.360 13.064 -10.725 1.00 22.42 H new ATOM 0 HD3 ARG A 57 -0.760 13.175 -9.082 1.00 22.42 H new ATOM 0 HE ARG A 57 -0.113 10.616 -10.332 1.00 72.04 H new ATOM 0 HH11 ARG A 57 0.824 14.002 -9.987 1.00 53.53 H new ATOM 0 HH12 ARG A 57 2.520 13.690 -10.369 1.00 53.53 H new ATOM 0 HH21 ARG A 57 2.066 10.224 -10.819 1.00 45.42 H new ATOM 0 HH22 ARG A 57 3.221 11.561 -10.838 1.00 45.42 H new ATOM 882 N GLN A 58 -4.974 11.682 -7.740 1.00 35.22 N ATOM 883 CA GLN A 58 -5.876 12.775 -7.397 1.00 41.43 C ATOM 884 C GLN A 58 -6.622 12.480 -6.100 1.00 62.51 C ATOM 885 O GLN A 58 -6.814 13.366 -5.267 1.00 13.12 O ATOM 886 CB GLN A 58 -6.875 13.014 -8.530 1.00 51.35 C ATOM 887 CG GLN A 58 -6.277 13.737 -9.726 1.00 63.33 C ATOM 888 CD GLN A 58 -5.963 15.191 -9.432 1.00 42.34 C ATOM 889 OE1 GLN A 58 -4.788 15.440 -8.866 1.00 14.34 O flip ATOM 890 NE2 GLN A 58 -6.768 16.080 -9.711 1.00 54.34 N flip ATOM 0 H GLN A 58 -5.208 11.197 -8.606 1.00 35.22 H new ATOM 0 HA GLN A 58 -5.277 13.674 -7.253 1.00 41.43 H new ATOM 0 HB2 GLN A 58 -7.275 12.055 -8.859 1.00 51.35 H new ATOM 0 HB3 GLN A 58 -7.714 13.595 -8.147 1.00 51.35 H new ATOM 0 HG2 GLN A 58 -5.364 13.227 -10.035 1.00 63.33 H new ATOM 0 HG3 GLN A 58 -6.972 13.682 -10.564 1.00 63.33 H new ATOM 0 HE21 GLN A 58 -7.660 15.843 -10.146 1.00 54.34 H new ATOM 0 HE22 GLN A 58 -6.543 17.054 -9.508 1.00 54.34 H new ATOM 899 N LEU A 59 -7.040 11.229 -5.935 1.00 3.52 N ATOM 900 CA LEU A 59 -7.765 10.816 -4.740 1.00 13.25 C ATOM 901 C LEU A 59 -6.806 10.295 -3.674 1.00 4.04 C ATOM 902 O LEU A 59 -7.224 9.666 -2.702 1.00 71.54 O ATOM 903 CB LEU A 59 -8.792 9.738 -5.089 1.00 31.12 C ATOM 904 CG LEU A 59 -9.651 10.005 -6.325 1.00 64.34 C ATOM 905 CD1 LEU A 59 -9.565 8.837 -7.296 1.00 32.32 C ATOM 906 CD2 LEU A 59 -11.095 10.265 -5.927 1.00 73.10 C ATOM 0 H LEU A 59 -6.889 10.484 -6.615 1.00 3.52 H new ATOM 0 HA LEU A 59 -8.284 11.687 -4.341 1.00 13.25 H new ATOM 0 HB2 LEU A 59 -8.264 8.795 -5.235 1.00 31.12 H new ATOM 0 HB3 LEU A 59 -9.454 9.604 -4.233 1.00 31.12 H new ATOM 0 HG LEU A 59 -9.268 10.895 -6.824 1.00 64.34 H new ATOM 0 HD11 LEU A 59 -10.183 9.044 -8.170 1.00 32.32 H new ATOM 0 HD12 LEU A 59 -8.530 8.699 -7.608 1.00 32.32 H new ATOM 0 HD13 LEU A 59 -9.921 7.930 -6.807 1.00 32.32 H new ATOM 0 HD21 LEU A 59 -11.690 10.453 -6.820 1.00 73.10 H new ATOM 0 HD22 LEU A 59 -11.491 9.394 -5.404 1.00 73.10 H new ATOM 0 HD23 LEU A 59 -11.141 11.134 -5.271 1.00 73.10 H new ATOM 918 N ASP A 60 -5.518 10.562 -3.862 1.00 51.11 N ATOM 919 CA ASP A 60 -4.499 10.123 -2.916 1.00 70.35 C ATOM 920 C ASP A 60 -4.418 8.600 -2.874 1.00 23.32 C ATOM 921 O ASP A 60 -4.854 7.972 -1.907 1.00 43.21 O ATOM 922 CB ASP A 60 -4.801 10.669 -1.520 1.00 25.42 C ATOM 923 CG ASP A 60 -5.380 12.070 -1.558 1.00 24.10 C ATOM 924 OD1 ASP A 60 -6.427 12.297 -0.917 1.00 41.00 O ATOM 925 OD2 ASP A 60 -4.784 12.939 -2.229 1.00 72.32 O ATOM 0 H ASP A 60 -5.155 11.081 -4.662 1.00 51.11 H new ATOM 0 HA ASP A 60 -3.536 10.511 -3.249 1.00 70.35 H new ATOM 0 HB2 ASP A 60 -5.502 10.003 -1.017 1.00 25.42 H new ATOM 0 HB3 ASP A 60 -3.885 10.674 -0.929 1.00 25.42 H new ATOM 931 N ILE A 61 -3.859 8.012 -3.926 1.00 14.40 N ATOM 932 CA ILE A 61 -3.721 6.564 -4.009 1.00 34.12 C ATOM 933 C ILE A 61 -2.308 6.169 -4.425 1.00 54.10 C ATOM 934 O ILE A 61 -1.753 6.685 -5.396 1.00 14.33 O ATOM 935 CB ILE A 61 -4.727 5.958 -5.005 1.00 61.12 C ATOM 936 CG1 ILE A 61 -6.139 6.471 -4.714 1.00 44.53 C ATOM 937 CG2 ILE A 61 -4.686 4.439 -4.942 1.00 33.40 C ATOM 938 CD1 ILE A 61 -7.140 6.135 -5.798 1.00 24.52 C ATOM 0 H ILE A 61 -3.494 8.517 -4.734 1.00 14.40 H new ATOM 0 HA ILE A 61 -3.927 6.170 -3.014 1.00 34.12 H new ATOM 0 HB ILE A 61 -4.449 6.268 -6.012 1.00 61.12 H new ATOM 0 HG12 ILE A 61 -6.483 6.049 -3.770 1.00 44.53 H new ATOM 0 HG13 ILE A 61 -6.104 7.553 -4.585 1.00 44.53 H new ATOM 0 HG21 ILE A 61 -5.403 4.026 -5.652 1.00 33.40 H new ATOM 0 HG22 ILE A 61 -3.684 4.091 -5.194 1.00 33.40 H new ATOM 0 HG23 ILE A 61 -4.942 4.110 -3.935 1.00 33.40 H new ATOM 0 HD11 ILE A 61 -8.119 6.529 -5.525 1.00 24.52 H new ATOM 0 HD12 ILE A 61 -6.820 6.580 -6.740 1.00 24.52 H new ATOM 0 HD13 ILE A 61 -7.204 5.053 -5.912 1.00 24.52 H new ATOM 950 N PRO A 62 -1.712 5.230 -3.677 1.00 24.21 N ATOM 951 CA PRO A 62 -0.356 4.742 -3.951 1.00 12.51 C ATOM 952 C PRO A 62 -0.286 3.910 -5.226 1.00 52.22 C ATOM 953 O PRO A 62 -1.172 3.099 -5.498 1.00 4.10 O ATOM 954 CB PRO A 62 -0.037 3.877 -2.729 1.00 11.41 C ATOM 955 CG PRO A 62 -1.365 3.440 -2.217 1.00 32.30 C ATOM 956 CD PRO A 62 -2.313 4.571 -2.506 1.00 10.22 C ATOM 0 HA PRO A 62 0.348 5.560 -4.107 1.00 12.51 H new ATOM 0 HB2 PRO A 62 0.583 3.023 -3.000 1.00 11.41 H new ATOM 0 HB3 PRO A 62 0.511 4.443 -1.976 1.00 11.41 H new ATOM 0 HG2 PRO A 62 -1.690 2.523 -2.708 1.00 32.30 H new ATOM 0 HG3 PRO A 62 -1.322 3.231 -1.148 1.00 32.30 H new ATOM 0 HD2 PRO A 62 -3.318 4.208 -2.721 1.00 10.22 H new ATOM 0 HD3 PRO A 62 -2.395 5.253 -1.659 1.00 10.22 H new ATOM 964 N ASP A 63 0.771 4.114 -6.003 1.00 54.45 N ATOM 965 CA ASP A 63 0.957 3.381 -7.251 1.00 32.04 C ATOM 966 C ASP A 63 1.222 1.904 -6.977 1.00 74.52 C ATOM 967 O ASP A 63 1.218 1.083 -7.895 1.00 1.15 O ATOM 968 CB ASP A 63 2.113 3.980 -8.052 1.00 5.11 C ATOM 969 CG ASP A 63 2.033 5.490 -8.143 1.00 5.43 C ATOM 970 OD1 ASP A 63 3.061 6.156 -7.893 1.00 35.52 O ATOM 971 OD2 ASP A 63 0.945 6.008 -8.466 1.00 52.12 O ATOM 0 H ASP A 63 1.513 4.781 -5.791 1.00 54.45 H new ATOM 0 HA ASP A 63 0.040 3.466 -7.835 1.00 32.04 H new ATOM 0 HB2 ASP A 63 3.058 3.697 -7.588 1.00 5.11 H new ATOM 0 HB3 ASP A 63 2.112 3.558 -9.057 1.00 5.11 H new ATOM 977 N GLU A 64 1.451 1.573 -5.710 1.00 11.24 N ATOM 978 CA GLU A 64 1.720 0.195 -5.317 1.00 42.43 C ATOM 979 C GLU A 64 0.439 -0.634 -5.331 1.00 43.11 C ATOM 980 O GLU A 64 0.445 -1.803 -5.719 1.00 24.24 O ATOM 981 CB GLU A 64 2.354 0.152 -3.926 1.00 34.03 C ATOM 982 CG GLU A 64 3.608 1.001 -3.801 1.00 74.10 C ATOM 983 CD GLU A 64 3.904 1.398 -2.368 1.00 2.20 C ATOM 984 OE1 GLU A 64 4.523 2.464 -2.164 1.00 72.11 O ATOM 985 OE2 GLU A 64 3.517 0.644 -1.451 1.00 0.35 O ATOM 0 H GLU A 64 1.456 2.240 -4.939 1.00 11.24 H new ATOM 0 HA GLU A 64 2.417 -0.232 -6.038 1.00 42.43 H new ATOM 0 HB2 GLU A 64 1.622 0.490 -3.192 1.00 34.03 H new ATOM 0 HB3 GLU A 64 2.599 -0.881 -3.680 1.00 34.03 H new ATOM 0 HG2 GLU A 64 4.457 0.449 -4.204 1.00 74.10 H new ATOM 0 HG3 GLU A 64 3.495 1.900 -4.407 1.00 74.10 H new ATOM 993 N LYS A 65 -0.659 -0.021 -4.905 1.00 34.11 N ATOM 994 CA LYS A 65 -1.950 -0.699 -4.867 1.00 64.54 C ATOM 995 C LYS A 65 -2.716 -0.483 -6.168 1.00 55.43 C ATOM 996 O LYS A 65 -3.518 -1.324 -6.577 1.00 61.40 O ATOM 997 CB LYS A 65 -2.780 -0.197 -3.684 1.00 31.31 C ATOM 998 CG LYS A 65 -3.474 1.128 -3.947 1.00 60.54 C ATOM 999 CD LYS A 65 -4.126 1.675 -2.688 1.00 50.40 C ATOM 1000 CE LYS A 65 -5.192 0.730 -2.156 1.00 74.51 C ATOM 1001 NZ LYS A 65 -4.891 0.279 -0.768 1.00 43.44 N ATOM 0 H LYS A 65 -0.682 0.946 -4.581 1.00 34.11 H new ATOM 0 HA LYS A 65 -1.767 -1.767 -4.746 1.00 64.54 H new ATOM 0 HB2 LYS A 65 -3.530 -0.947 -3.433 1.00 31.31 H new ATOM 0 HB3 LYS A 65 -2.131 -0.092 -2.814 1.00 31.31 H new ATOM 0 HG2 LYS A 65 -2.751 1.850 -4.326 1.00 60.54 H new ATOM 0 HG3 LYS A 65 -4.230 0.997 -4.722 1.00 60.54 H new ATOM 0 HD2 LYS A 65 -3.366 1.835 -1.923 1.00 50.40 H new ATOM 0 HD3 LYS A 65 -4.573 2.646 -2.901 1.00 50.40 H new ATOM 0 HE2 LYS A 65 -6.161 1.229 -2.174 1.00 74.51 H new ATOM 0 HE3 LYS A 65 -5.268 -0.138 -2.811 1.00 74.51 H new ATOM 0 HZ1 LYS A 65 -5.530 -0.500 -0.510 1.00 43.44 H new ATOM 0 HZ2 LYS A 65 -3.906 -0.050 -0.716 1.00 43.44 H new ATOM 0 HZ3 LYS A 65 -5.026 1.072 -0.108 1.00 43.44 H new ATOM 1015 N THR A 66 -2.465 0.650 -6.816 1.00 14.12 N ATOM 1016 CA THR A 66 -3.132 0.977 -8.070 1.00 43.42 C ATOM 1017 C THR A 66 -2.583 0.140 -9.219 1.00 4.12 C ATOM 1018 O THR A 66 -3.298 -0.171 -10.171 1.00 74.40 O ATOM 1019 CB THR A 66 -2.975 2.470 -8.417 1.00 24.11 C ATOM 1020 OG1 THR A 66 -3.567 3.276 -7.392 1.00 12.31 O ATOM 1021 CG2 THR A 66 -3.624 2.786 -9.756 1.00 14.21 C ATOM 0 H THR A 66 -1.804 1.357 -6.493 1.00 14.12 H new ATOM 0 HA THR A 66 -4.190 0.752 -7.933 1.00 43.42 H new ATOM 0 HB THR A 66 -1.911 2.694 -8.486 1.00 24.11 H new ATOM 0 HG1 THR A 66 -3.000 4.057 -7.221 1.00 12.31 H new ATOM 0 HG21 THR A 66 -3.500 3.846 -9.979 1.00 14.21 H new ATOM 0 HG22 THR A 66 -3.151 2.193 -10.539 1.00 14.21 H new ATOM 0 HG23 THR A 66 -4.686 2.546 -9.711 1.00 14.21 H new ATOM 1029 N MET A 67 -1.307 -0.222 -9.125 1.00 12.33 N ATOM 1030 CA MET A 67 -0.663 -1.025 -10.157 1.00 24.42 C ATOM 1031 C MET A 67 -1.502 -2.255 -10.492 1.00 4.22 C ATOM 1032 O MET A 67 -1.925 -2.455 -11.631 1.00 24.35 O ATOM 1033 CB MET A 67 0.734 -1.456 -9.700 1.00 54.44 C ATOM 1034 CG MET A 67 1.845 -0.554 -10.211 1.00 51.42 C ATOM 1035 SD MET A 67 2.641 -1.204 -11.693 1.00 0.44 S ATOM 1036 CE MET A 67 1.755 -0.316 -12.971 1.00 65.03 C ATOM 0 H MET A 67 -0.700 0.028 -8.345 1.00 12.33 H new ATOM 0 HA MET A 67 -0.572 -0.413 -11.054 1.00 24.42 H new ATOM 0 HB2 MET A 67 0.762 -1.472 -8.610 1.00 54.44 H new ATOM 0 HB3 MET A 67 0.920 -2.475 -10.039 1.00 54.44 H new ATOM 0 HG2 MET A 67 1.436 0.433 -10.426 1.00 51.42 H new ATOM 0 HG3 MET A 67 2.593 -0.426 -9.428 1.00 51.42 H new ATOM 0 HE1 MET A 67 2.314 -0.369 -13.905 1.00 65.03 H new ATOM 0 HE2 MET A 67 0.771 -0.764 -13.110 1.00 65.03 H new ATOM 0 HE3 MET A 67 1.640 0.727 -12.676 1.00 65.03 H new ATOM 1046 N PRO A 68 -1.749 -3.098 -9.479 1.00 34.30 N ATOM 1047 CA PRO A 68 -2.541 -4.322 -9.642 1.00 4.52 C ATOM 1048 C PRO A 68 -4.016 -4.028 -9.888 1.00 70.04 C ATOM 1049 O PRO A 68 -4.778 -4.912 -10.282 1.00 42.24 O ATOM 1050 CB PRO A 68 -2.354 -5.045 -8.307 1.00 33.24 C ATOM 1051 CG PRO A 68 -2.044 -3.964 -7.330 1.00 31.13 C ATOM 1052 CD PRO A 68 -1.277 -2.922 -8.096 1.00 22.44 C ATOM 0 HA PRO A 68 -2.220 -4.904 -10.506 1.00 4.52 H new ATOM 0 HB2 PRO A 68 -3.254 -5.589 -8.022 1.00 33.24 H new ATOM 0 HB3 PRO A 68 -1.545 -5.773 -8.361 1.00 33.24 H new ATOM 0 HG2 PRO A 68 -2.958 -3.545 -6.909 1.00 31.13 H new ATOM 0 HG3 PRO A 68 -1.456 -4.348 -6.497 1.00 31.13 H new ATOM 0 HD2 PRO A 68 -1.484 -1.918 -7.726 1.00 22.44 H new ATOM 0 HD3 PRO A 68 -0.201 -3.076 -8.016 1.00 22.44 H new ATOM 1060 N VAL A 69 -4.415 -2.782 -9.655 1.00 21.34 N ATOM 1061 CA VAL A 69 -5.800 -2.373 -9.853 1.00 52.33 C ATOM 1062 C VAL A 69 -6.084 -2.088 -11.324 1.00 23.51 C ATOM 1063 O VAL A 69 -6.974 -2.692 -11.923 1.00 40.41 O ATOM 1064 CB VAL A 69 -6.139 -1.119 -9.024 1.00 23.13 C ATOM 1065 CG1 VAL A 69 -7.455 -0.513 -9.486 1.00 30.21 C ATOM 1066 CG2 VAL A 69 -6.190 -1.459 -7.542 1.00 0.54 C ATOM 0 H VAL A 69 -3.798 -2.038 -9.329 1.00 21.34 H new ATOM 0 HA VAL A 69 -6.425 -3.201 -9.519 1.00 52.33 H new ATOM 0 HB VAL A 69 -5.353 -0.380 -9.177 1.00 23.13 H new ATOM 0 HG11 VAL A 69 -7.678 0.371 -8.889 1.00 30.21 H new ATOM 0 HG12 VAL A 69 -7.377 -0.232 -10.536 1.00 30.21 H new ATOM 0 HG13 VAL A 69 -8.255 -1.244 -9.364 1.00 30.21 H new ATOM 0 HG21 VAL A 69 -6.431 -0.562 -6.971 1.00 0.54 H new ATOM 0 HG22 VAL A 69 -6.955 -2.216 -7.368 1.00 0.54 H new ATOM 0 HG23 VAL A 69 -5.221 -1.843 -7.223 1.00 0.54 H new ATOM 1076 N LEU A 70 -5.322 -1.165 -11.899 1.00 63.01 N ATOM 1077 CA LEU A 70 -5.491 -0.799 -13.302 1.00 23.40 C ATOM 1078 C LEU A 70 -5.326 -2.018 -14.205 1.00 41.33 C ATOM 1079 O LEU A 70 -6.098 -2.215 -15.143 1.00 64.54 O ATOM 1080 CB LEU A 70 -4.481 0.280 -13.693 1.00 22.32 C ATOM 1081 CG LEU A 70 -3.010 -0.139 -13.676 1.00 32.00 C ATOM 1082 CD1 LEU A 70 -2.576 -0.620 -15.052 1.00 14.30 C ATOM 1083 CD2 LEU A 70 -2.133 1.013 -13.211 1.00 4.34 C ATOM 0 H LEU A 70 -4.581 -0.656 -11.417 1.00 63.01 H new ATOM 0 HA LEU A 70 -6.500 -0.407 -13.432 1.00 23.40 H new ATOM 0 HB2 LEU A 70 -4.726 0.633 -14.695 1.00 22.32 H new ATOM 0 HB3 LEU A 70 -4.605 1.127 -13.018 1.00 22.32 H new ATOM 0 HG LEU A 70 -2.895 -0.964 -12.973 1.00 32.00 H new ATOM 0 HD11 LEU A 70 -1.527 -0.914 -15.021 1.00 14.30 H new ATOM 0 HD12 LEU A 70 -3.184 -1.475 -15.347 1.00 14.30 H new ATOM 0 HD13 LEU A 70 -2.706 0.184 -15.776 1.00 14.30 H new ATOM 0 HD21 LEU A 70 -1.090 0.697 -13.205 1.00 4.34 H new ATOM 0 HD22 LEU A 70 -2.252 1.858 -13.889 1.00 4.34 H new ATOM 0 HD23 LEU A 70 -2.427 1.311 -12.205 1.00 4.34 H new ATOM 1095 N MET A 71 -4.317 -2.832 -13.914 1.00 12.41 N ATOM 1096 CA MET A 71 -4.054 -4.033 -14.698 1.00 45.54 C ATOM 1097 C MET A 71 -5.254 -4.973 -14.672 1.00 74.23 C ATOM 1098 O MET A 71 -5.429 -5.799 -15.568 1.00 21.10 O ATOM 1099 CB MET A 71 -2.814 -4.754 -14.167 1.00 4.21 C ATOM 1100 CG MET A 71 -3.092 -5.626 -12.954 1.00 63.31 C ATOM 1101 SD MET A 71 -3.395 -7.348 -13.392 1.00 61.55 S ATOM 1102 CE MET A 71 -2.794 -8.183 -11.925 1.00 41.33 C ATOM 0 H MET A 71 -3.668 -2.682 -13.141 1.00 12.41 H new ATOM 0 HA MET A 71 -3.875 -3.731 -15.730 1.00 45.54 H new ATOM 0 HB2 MET A 71 -2.396 -5.373 -14.961 1.00 4.21 H new ATOM 0 HB3 MET A 71 -2.057 -4.014 -13.907 1.00 4.21 H new ATOM 0 HG2 MET A 71 -2.244 -5.573 -12.271 1.00 63.31 H new ATOM 0 HG3 MET A 71 -3.957 -5.233 -12.420 1.00 63.31 H new ATOM 0 HE1 MET A 71 -2.915 -9.260 -12.044 1.00 41.33 H new ATOM 0 HE2 MET A 71 -1.739 -7.950 -11.780 1.00 41.33 H new ATOM 0 HE3 MET A 71 -3.362 -7.848 -11.057 1.00 41.33 H new ATOM 1112 N LYS A 72 -6.079 -4.845 -13.638 1.00 1.33 N ATOM 1113 CA LYS A 72 -7.263 -5.682 -13.494 1.00 1.02 C ATOM 1114 C LYS A 72 -8.350 -5.260 -14.477 1.00 34.31 C ATOM 1115 O LYS A 72 -9.153 -6.083 -14.921 1.00 11.14 O ATOM 1116 CB LYS A 72 -7.798 -5.604 -12.062 1.00 2.14 C ATOM 1117 CG LYS A 72 -8.770 -6.717 -11.714 1.00 60.11 C ATOM 1118 CD LYS A 72 -8.060 -7.896 -11.071 1.00 74.13 C ATOM 1119 CE LYS A 72 -8.553 -9.220 -11.637 1.00 14.23 C ATOM 1120 NZ LYS A 72 -9.548 -9.870 -10.741 1.00 23.31 N ATOM 0 H LYS A 72 -5.948 -4.168 -12.886 1.00 1.33 H new ATOM 0 HA LYS A 72 -6.978 -6.711 -13.713 1.00 1.02 H new ATOM 0 HB2 LYS A 72 -6.959 -5.636 -11.367 1.00 2.14 H new ATOM 0 HB3 LYS A 72 -8.293 -4.643 -11.920 1.00 2.14 H new ATOM 0 HG2 LYS A 72 -9.533 -6.336 -11.035 1.00 60.11 H new ATOM 0 HG3 LYS A 72 -9.283 -7.048 -12.617 1.00 60.11 H new ATOM 0 HD2 LYS A 72 -6.986 -7.807 -11.233 1.00 74.13 H new ATOM 0 HD3 LYS A 72 -8.223 -7.877 -9.993 1.00 74.13 H new ATOM 0 HE2 LYS A 72 -9.001 -9.052 -12.616 1.00 14.23 H new ATOM 0 HE3 LYS A 72 -7.706 -9.890 -11.785 1.00 14.23 H new ATOM 0 HZ1 LYS A 72 -9.859 -10.769 -11.162 1.00 23.31 H new ATOM 0 HZ2 LYS A 72 -9.113 -10.054 -9.814 1.00 23.31 H new ATOM 0 HZ3 LYS A 72 -10.368 -9.242 -10.620 1.00 23.31 H new ATOM 1134 N LEU A 73 -8.371 -3.975 -14.815 1.00 61.33 N ATOM 1135 CA LEU A 73 -9.358 -3.445 -15.748 1.00 53.10 C ATOM 1136 C LEU A 73 -9.028 -3.850 -17.180 1.00 72.51 C ATOM 1137 O LEU A 73 -9.876 -4.382 -17.898 1.00 44.33 O ATOM 1138 CB LEU A 73 -9.425 -1.920 -15.639 1.00 64.43 C ATOM 1139 CG LEU A 73 -9.229 -1.339 -14.239 1.00 75.01 C ATOM 1140 CD1 LEU A 73 -9.341 0.178 -14.271 1.00 65.32 C ATOM 1141 CD2 LEU A 73 -10.243 -1.929 -13.270 1.00 14.34 C ATOM 0 H LEU A 73 -7.715 -3.281 -14.456 1.00 61.33 H new ATOM 0 HA LEU A 73 -10.329 -3.865 -15.487 1.00 53.10 H new ATOM 0 HB2 LEU A 73 -8.667 -1.495 -16.297 1.00 64.43 H new ATOM 0 HB3 LEU A 73 -10.394 -1.591 -16.015 1.00 64.43 H new ATOM 0 HG LEU A 73 -8.229 -1.603 -13.893 1.00 75.01 H new ATOM 0 HD11 LEU A 73 -9.199 0.575 -13.266 1.00 65.32 H new ATOM 0 HD12 LEU A 73 -8.577 0.585 -14.933 1.00 65.32 H new ATOM 0 HD13 LEU A 73 -10.328 0.462 -14.637 1.00 65.32 H new ATOM 0 HD21 LEU A 73 -10.089 -1.504 -12.278 1.00 14.34 H new ATOM 0 HD22 LEU A 73 -11.251 -1.696 -13.612 1.00 14.34 H new ATOM 0 HD23 LEU A 73 -10.116 -3.011 -13.225 1.00 14.34 H new ATOM 1153 N LEU A 74 -7.790 -3.599 -17.589 1.00 45.41 N ATOM 1154 CA LEU A 74 -7.345 -3.939 -18.936 1.00 65.44 C ATOM 1155 C LEU A 74 -7.474 -5.438 -19.190 1.00 41.13 C ATOM 1156 O LEU A 74 -7.586 -5.875 -20.335 1.00 21.33 O ATOM 1157 CB LEU A 74 -5.894 -3.499 -19.143 1.00 35.31 C ATOM 1158 CG LEU A 74 -5.671 -2.000 -19.350 1.00 54.24 C ATOM 1159 CD1 LEU A 74 -6.509 -1.492 -20.513 1.00 53.31 C ATOM 1160 CD2 LEU A 74 -5.997 -1.231 -18.080 1.00 33.34 C ATOM 0 H LEU A 74 -7.076 -3.161 -17.007 1.00 45.41 H new ATOM 0 HA LEU A 74 -7.983 -3.412 -19.646 1.00 65.44 H new ATOM 0 HB2 LEU A 74 -5.312 -3.817 -18.278 1.00 35.31 H new ATOM 0 HB3 LEU A 74 -5.494 -4.028 -20.008 1.00 35.31 H new ATOM 0 HG LEU A 74 -4.620 -1.838 -19.588 1.00 54.24 H new ATOM 0 HD11 LEU A 74 -6.338 -0.424 -20.646 1.00 53.31 H new ATOM 0 HD12 LEU A 74 -6.226 -2.021 -21.423 1.00 53.31 H new ATOM 0 HD13 LEU A 74 -7.564 -1.667 -20.305 1.00 53.31 H new ATOM 0 HD21 LEU A 74 -5.832 -0.167 -18.247 1.00 33.34 H new ATOM 0 HD22 LEU A 74 -7.040 -1.399 -17.810 1.00 33.34 H new ATOM 0 HD23 LEU A 74 -5.353 -1.575 -17.271 1.00 33.34 H new ATOM 1172 N GLU A 75 -7.460 -6.218 -18.113 1.00 64.14 N ATOM 1173 CA GLU A 75 -7.577 -7.668 -18.221 1.00 12.41 C ATOM 1174 C GLU A 75 -8.872 -8.059 -18.926 1.00 11.11 C ATOM 1175 O GLU A 75 -8.857 -8.801 -19.907 1.00 25.51 O ATOM 1176 CB GLU A 75 -7.526 -8.309 -16.833 1.00 22.12 C ATOM 1177 CG GLU A 75 -6.189 -8.954 -16.509 1.00 24.42 C ATOM 1178 CD GLU A 75 -6.022 -10.313 -17.164 1.00 14.44 C ATOM 1179 OE1 GLU A 75 -5.030 -10.499 -17.899 1.00 12.34 O ATOM 1180 OE2 GLU A 75 -6.884 -11.188 -16.941 1.00 71.51 O ATOM 0 H GLU A 75 -7.369 -5.871 -17.158 1.00 64.14 H new ATOM 0 HA GLU A 75 -6.738 -8.032 -18.814 1.00 12.41 H new ATOM 0 HB2 GLU A 75 -7.744 -7.549 -16.083 1.00 22.12 H new ATOM 0 HB3 GLU A 75 -8.310 -9.063 -16.761 1.00 22.12 H new ATOM 0 HG2 GLU A 75 -5.384 -8.296 -16.836 1.00 24.42 H new ATOM 0 HG3 GLU A 75 -6.094 -9.062 -15.428 1.00 24.42 H new ATOM 1188 N GLU A 76 -9.992 -7.552 -18.418 1.00 34.00 N ATOM 1189 CA GLU A 76 -11.296 -7.850 -18.999 1.00 2.43 C ATOM 1190 C GLU A 76 -11.521 -7.041 -20.274 1.00 20.31 C ATOM 1191 O GLU A 76 -12.216 -7.484 -21.187 1.00 31.10 O ATOM 1192 CB GLU A 76 -12.408 -7.552 -17.991 1.00 23.54 C ATOM 1193 CG GLU A 76 -12.229 -8.263 -16.660 1.00 71.30 C ATOM 1194 CD GLU A 76 -12.266 -9.774 -16.796 1.00 13.31 C ATOM 1195 OE1 GLU A 76 -13.370 -10.350 -16.699 1.00 14.44 O ATOM 1196 OE2 GLU A 76 -11.193 -10.378 -16.998 1.00 62.42 O ATOM 0 H GLU A 76 -10.022 -6.934 -17.607 1.00 34.00 H new ATOM 0 HA GLU A 76 -11.319 -8.910 -19.252 1.00 2.43 H new ATOM 0 HB2 GLU A 76 -12.450 -6.477 -17.816 1.00 23.54 H new ATOM 0 HB3 GLU A 76 -13.366 -7.843 -18.423 1.00 23.54 H new ATOM 0 HG2 GLU A 76 -11.278 -7.965 -16.218 1.00 71.30 H new ATOM 0 HG3 GLU A 76 -13.014 -7.944 -15.974 1.00 71.30 H new ATOM 1204 N ALA A 77 -10.927 -5.854 -20.326 1.00 54.54 N ATOM 1205 CA ALA A 77 -11.061 -4.984 -21.489 1.00 31.25 C ATOM 1206 C ALA A 77 -10.056 -5.357 -22.572 1.00 43.25 C ATOM 1207 O ALA A 77 -9.963 -4.691 -23.602 1.00 42.11 O ATOM 1208 CB ALA A 77 -10.885 -3.528 -21.082 1.00 74.13 C ATOM 0 H ALA A 77 -10.349 -5.472 -19.577 1.00 54.54 H new ATOM 0 HA ALA A 77 -12.063 -5.117 -21.898 1.00 31.25 H new ATOM 0 HB1 ALA A 77 -10.987 -2.890 -21.960 1.00 74.13 H new ATOM 0 HB2 ALA A 77 -11.646 -3.261 -20.348 1.00 74.13 H new ATOM 0 HB3 ALA A 77 -9.896 -3.389 -20.646 1.00 74.13 H new ATOM 1214 N GLY A 78 -9.304 -6.427 -22.332 1.00 64.23 N ATOM 1215 CA GLY A 78 -8.315 -6.870 -23.298 1.00 24.52 C ATOM 1216 C GLY A 78 -7.327 -5.778 -23.658 1.00 1.23 C ATOM 1217 O GLY A 78 -6.711 -5.814 -24.722 1.00 73.41 O ATOM 0 H GLY A 78 -9.362 -6.995 -21.487 1.00 64.23 H new ATOM 0 HA2 GLY A 78 -7.775 -7.726 -22.894 1.00 24.52 H new ATOM 0 HA3 GLY A 78 -8.821 -7.210 -24.201 1.00 24.52 H new ATOM 1221 N GLY A 79 -7.175 -4.801 -22.768 1.00 54.25 N ATOM 1222 CA GLY A 79 -6.257 -3.707 -23.016 1.00 45.51 C ATOM 1223 C GLY A 79 -6.920 -2.542 -23.725 1.00 1.13 C ATOM 1224 O GLY A 79 -6.327 -1.926 -24.610 1.00 73.32 O ATOM 0 H GLY A 79 -7.673 -4.749 -21.879 1.00 54.25 H new ATOM 0 HA2 GLY A 79 -5.842 -3.363 -22.068 1.00 45.51 H new ATOM 0 HA3 GLY A 79 -5.422 -4.067 -23.617 1.00 45.51 H new ATOM 1228 N ASN A 80 -8.153 -2.239 -23.334 1.00 21.41 N ATOM 1229 CA ASN A 80 -8.899 -1.141 -23.939 1.00 52.31 C ATOM 1230 C ASN A 80 -9.181 -0.046 -22.915 1.00 11.14 C ATOM 1231 O ASN A 80 -10.038 -0.202 -22.045 1.00 20.13 O ATOM 1232 CB ASN A 80 -10.214 -1.654 -24.529 1.00 70.22 C ATOM 1233 CG ASN A 80 -10.580 -0.951 -25.822 1.00 51.14 C ATOM 1234 OD1 ASN A 80 -10.945 0.322 -25.721 1.00 61.14 O flip ATOM 1235 ND2 ASN A 80 -10.536 -1.546 -26.899 1.00 30.33 N flip ATOM 0 H ASN A 80 -8.657 -2.738 -22.601 1.00 21.41 H new ATOM 0 HA ASN A 80 -8.290 -0.718 -24.739 1.00 52.31 H new ATOM 0 HB2 ASN A 80 -10.134 -2.726 -24.711 1.00 70.22 H new ATOM 0 HB3 ASN A 80 -11.014 -1.513 -23.803 1.00 70.22 H new ATOM 0 HD21 ASN A 80 -10.250 -2.524 -26.930 1.00 30.33 H new ATOM 0 HD22 ASN A 80 -10.786 -1.060 -27.760 1.00 30.33 H new ATOM 1242 N TRP A 81 -8.456 1.061 -23.025 1.00 53.04 N ATOM 1243 CA TRP A 81 -8.629 2.182 -22.110 1.00 1.22 C ATOM 1244 C TRP A 81 -9.805 3.055 -22.534 1.00 1.41 C ATOM 1245 O TRP A 81 -10.348 3.814 -21.731 1.00 53.15 O ATOM 1246 CB TRP A 81 -7.351 3.021 -22.050 1.00 21.03 C ATOM 1247 CG TRP A 81 -6.154 2.246 -21.591 1.00 24.02 C ATOM 1248 CD1 TRP A 81 -5.416 1.365 -22.328 1.00 63.23 C ATOM 1249 CD2 TRP A 81 -5.557 2.281 -20.290 1.00 71.21 C ATOM 1250 NE1 TRP A 81 -4.396 0.850 -21.565 1.00 34.13 N ATOM 1251 CE2 TRP A 81 -4.460 1.397 -20.310 1.00 32.21 C ATOM 1252 CE3 TRP A 81 -5.841 2.975 -19.111 1.00 32.53 C ATOM 1253 CZ2 TRP A 81 -3.651 1.189 -19.197 1.00 13.45 C ATOM 1254 CZ3 TRP A 81 -5.037 2.767 -18.006 1.00 20.02 C ATOM 1255 CH2 TRP A 81 -3.953 1.882 -18.055 1.00 22.20 C ATOM 0 H TRP A 81 -7.742 1.206 -23.739 1.00 53.04 H new ATOM 0 HA TRP A 81 -8.838 1.780 -21.119 1.00 1.22 H new ATOM 0 HB2 TRP A 81 -7.150 3.435 -23.038 1.00 21.03 H new ATOM 0 HB3 TRP A 81 -7.509 3.864 -21.377 1.00 21.03 H new ATOM 0 HD1 TRP A 81 -5.606 1.110 -23.360 1.00 63.23 H new ATOM 0 HE1 TRP A 81 -3.704 0.171 -21.881 1.00 34.13 H new ATOM 0 HE3 TRP A 81 -6.673 3.661 -19.064 1.00 32.53 H new ATOM 0 HZ2 TRP A 81 -2.815 0.506 -19.232 1.00 13.45 H new ATOM 0 HZ3 TRP A 81 -5.249 3.296 -17.089 1.00 20.02 H new ATOM 0 HH2 TRP A 81 -3.343 1.743 -17.175 1.00 22.20 H new ATOM 1266 N SER A 82 -10.192 2.944 -23.800 1.00 55.12 N ATOM 1267 CA SER A 82 -11.303 3.726 -24.332 1.00 2.21 C ATOM 1268 C SER A 82 -12.542 3.577 -23.454 1.00 4.55 C ATOM 1269 O SER A 82 -13.152 4.567 -23.050 1.00 32.31 O ATOM 1270 CB SER A 82 -11.622 3.290 -25.763 1.00 53.24 C ATOM 1271 OG SER A 82 -12.313 4.310 -26.464 1.00 73.43 O ATOM 0 H SER A 82 -9.753 2.320 -24.477 1.00 55.12 H new ATOM 0 HA SER A 82 -11.007 4.775 -24.337 1.00 2.21 H new ATOM 0 HB2 SER A 82 -10.698 3.046 -26.287 1.00 53.24 H new ATOM 0 HB3 SER A 82 -12.227 2.383 -25.744 1.00 53.24 H new ATOM 0 HG SER A 82 -12.504 4.008 -27.377 1.00 73.43 H new ATOM 1277 N TYR A 83 -12.908 2.334 -23.164 1.00 64.51 N ATOM 1278 CA TYR A 83 -14.075 2.053 -22.336 1.00 24.11 C ATOM 1279 C TYR A 83 -13.750 2.236 -20.857 1.00 74.33 C ATOM 1280 O TYR A 83 -14.539 2.807 -20.103 1.00 64.20 O ATOM 1281 CB TYR A 83 -14.574 0.630 -22.589 1.00 32.31 C ATOM 1282 CG TYR A 83 -15.422 0.078 -21.464 1.00 41.23 C ATOM 1283 CD1 TYR A 83 -16.800 0.259 -21.455 1.00 71.22 C ATOM 1284 CD2 TYR A 83 -14.846 -0.623 -20.412 1.00 53.34 C ATOM 1285 CE1 TYR A 83 -17.579 -0.244 -20.430 1.00 1.42 C ATOM 1286 CE2 TYR A 83 -15.617 -1.129 -19.384 1.00 11.22 C ATOM 1287 CZ TYR A 83 -16.983 -0.937 -19.397 1.00 41.40 C ATOM 1288 OH TYR A 83 -17.754 -1.438 -18.374 1.00 71.41 O ATOM 0 H TYR A 83 -12.413 1.504 -23.490 1.00 64.51 H new ATOM 0 HA TYR A 83 -14.860 2.759 -22.606 1.00 24.11 H new ATOM 0 HB2 TYR A 83 -15.155 0.616 -23.511 1.00 32.31 H new ATOM 0 HB3 TYR A 83 -13.716 -0.025 -22.742 1.00 32.31 H new ATOM 0 HD1 TYR A 83 -17.270 0.802 -22.262 1.00 71.22 H new ATOM 0 HD2 TYR A 83 -13.777 -0.775 -20.398 1.00 53.34 H new ATOM 0 HE1 TYR A 83 -18.649 -0.095 -20.438 1.00 1.42 H new ATOM 0 HE2 TYR A 83 -15.153 -1.672 -18.574 1.00 11.22 H new ATOM 0 HH TYR A 83 -17.180 -1.900 -17.728 1.00 71.41 H new ATOM 1298 N ILE A 84 -12.583 1.748 -20.450 1.00 33.42 N ATOM 1299 CA ILE A 84 -12.153 1.858 -19.061 1.00 3.22 C ATOM 1300 C ILE A 84 -12.108 3.315 -18.614 1.00 21.34 C ATOM 1301 O ILE A 84 -12.264 3.618 -17.430 1.00 51.53 O ATOM 1302 CB ILE A 84 -10.765 1.225 -18.851 1.00 30.34 C ATOM 1303 CG1 ILE A 84 -10.819 -0.279 -19.125 1.00 31.23 C ATOM 1304 CG2 ILE A 84 -10.270 1.494 -17.437 1.00 30.33 C ATOM 1305 CD1 ILE A 84 -9.464 -0.950 -19.084 1.00 42.45 C ATOM 0 H ILE A 84 -11.919 1.273 -21.061 1.00 33.42 H new ATOM 0 HA ILE A 84 -12.885 1.318 -18.459 1.00 3.22 H new ATOM 0 HB ILE A 84 -10.065 1.678 -19.553 1.00 30.34 H new ATOM 0 HG12 ILE A 84 -11.471 -0.751 -18.390 1.00 31.23 H new ATOM 0 HG13 ILE A 84 -11.269 -0.446 -20.104 1.00 31.23 H new ATOM 0 HG21 ILE A 84 -9.288 1.041 -17.303 1.00 30.33 H new ATOM 0 HG22 ILE A 84 -10.198 2.570 -17.275 1.00 30.33 H new ATOM 0 HG23 ILE A 84 -10.969 1.065 -16.719 1.00 30.33 H new ATOM 0 HD11 ILE A 84 -9.579 -2.015 -19.287 1.00 42.45 H new ATOM 0 HD12 ILE A 84 -8.815 -0.505 -19.838 1.00 42.45 H new ATOM 0 HD13 ILE A 84 -9.021 -0.815 -18.098 1.00 42.45 H new ATOM 1317 N LYS A 85 -11.896 4.215 -19.568 1.00 14.03 N ATOM 1318 CA LYS A 85 -11.833 5.642 -19.274 1.00 55.21 C ATOM 1319 C LYS A 85 -13.176 6.313 -19.550 1.00 3.55 C ATOM 1320 O LYS A 85 -13.331 7.518 -19.348 1.00 2.11 O ATOM 1321 CB LYS A 85 -10.737 6.308 -20.108 1.00 11.12 C ATOM 1322 CG LYS A 85 -11.232 6.862 -21.433 1.00 41.22 C ATOM 1323 CD LYS A 85 -10.145 6.825 -22.494 1.00 73.33 C ATOM 1324 CE LYS A 85 -8.849 7.438 -21.987 1.00 1.42 C ATOM 1325 NZ LYS A 85 -9.064 8.799 -21.422 1.00 21.11 N ATOM 0 H LYS A 85 -11.765 3.981 -20.552 1.00 14.03 H new ATOM 0 HA LYS A 85 -11.597 5.760 -18.216 1.00 55.21 H new ATOM 0 HB2 LYS A 85 -10.293 7.117 -19.529 1.00 11.12 H new ATOM 0 HB3 LYS A 85 -9.947 5.582 -20.300 1.00 11.12 H new ATOM 0 HG2 LYS A 85 -12.092 6.284 -21.772 1.00 41.22 H new ATOM 0 HG3 LYS A 85 -11.572 7.888 -21.295 1.00 41.22 H new ATOM 0 HD2 LYS A 85 -9.966 5.793 -22.797 1.00 73.33 H new ATOM 0 HD3 LYS A 85 -10.481 7.364 -23.380 1.00 73.33 H new ATOM 0 HE2 LYS A 85 -8.416 6.792 -21.223 1.00 1.42 H new ATOM 0 HE3 LYS A 85 -8.129 7.493 -22.804 1.00 1.42 H new ATOM 0 HZ1 LYS A 85 -8.254 9.406 -21.660 1.00 21.11 H new ATOM 0 HZ2 LYS A 85 -9.932 9.208 -21.823 1.00 21.11 H new ATOM 0 HZ3 LYS A 85 -9.156 8.735 -20.388 1.00 21.11 H new ATOM 1339 N LEU A 86 -14.141 5.527 -20.012 1.00 2.05 N ATOM 1340 CA LEU A 86 -15.471 6.045 -20.314 1.00 10.22 C ATOM 1341 C LEU A 86 -16.077 6.732 -19.095 1.00 72.12 C ATOM 1342 O LEU A 86 -16.952 7.589 -19.224 1.00 22.41 O ATOM 1343 CB LEU A 86 -16.386 4.913 -20.784 1.00 72.01 C ATOM 1344 CG LEU A 86 -17.638 5.337 -21.553 1.00 45.42 C ATOM 1345 CD1 LEU A 86 -18.046 4.260 -22.546 1.00 21.53 C ATOM 1346 CD2 LEU A 86 -18.778 5.638 -20.591 1.00 3.43 C ATOM 0 H LEU A 86 -14.028 4.528 -20.186 1.00 2.05 H new ATOM 0 HA LEU A 86 -15.375 6.781 -21.112 1.00 10.22 H new ATOM 0 HB2 LEU A 86 -15.805 4.242 -21.417 1.00 72.01 H new ATOM 0 HB3 LEU A 86 -16.697 4.338 -19.912 1.00 72.01 H new ATOM 0 HG LEU A 86 -17.409 6.246 -22.109 1.00 45.42 H new ATOM 0 HD11 LEU A 86 -18.939 4.580 -23.083 1.00 21.53 H new ATOM 0 HD12 LEU A 86 -17.235 4.093 -23.255 1.00 21.53 H new ATOM 0 HD13 LEU A 86 -18.257 3.334 -22.012 1.00 21.53 H new ATOM 0 HD21 LEU A 86 -19.661 5.938 -21.156 1.00 3.43 H new ATOM 0 HD22 LEU A 86 -19.006 4.746 -20.007 1.00 3.43 H new ATOM 0 HD23 LEU A 86 -18.484 6.445 -19.920 1.00 3.43 H new ATOM 1358 N ASP A 87 -15.607 6.351 -17.913 1.00 2.23 N ATOM 1359 CA ASP A 87 -16.101 6.932 -16.670 1.00 11.23 C ATOM 1360 C ASP A 87 -14.953 7.505 -15.844 1.00 22.33 C ATOM 1361 O ASP A 87 -15.048 7.613 -14.622 1.00 43.41 O ATOM 1362 CB ASP A 87 -16.857 5.883 -15.856 1.00 31.40 C ATOM 1363 CG ASP A 87 -17.662 4.941 -16.730 1.00 21.13 C ATOM 1364 OD1 ASP A 87 -17.104 3.912 -17.166 1.00 70.41 O ATOM 1365 OD2 ASP A 87 -18.850 5.233 -16.979 1.00 32.32 O ATOM 0 H ASP A 87 -14.884 5.642 -17.789 1.00 2.23 H new ATOM 0 HA ASP A 87 -16.783 7.744 -16.924 1.00 11.23 H new ATOM 0 HB2 ASP A 87 -16.147 5.306 -15.263 1.00 31.40 H new ATOM 0 HB3 ASP A 87 -17.525 6.383 -15.155 1.00 31.40 H new ATOM 1371 N ASN A 88 -13.868 7.867 -16.520 1.00 0.44 N ATOM 1372 CA ASN A 88 -12.700 8.427 -15.848 1.00 73.21 C ATOM 1373 C ASN A 88 -12.043 7.388 -14.944 1.00 42.31 C ATOM 1374 O ASN A 88 -11.614 7.699 -13.833 1.00 12.41 O ATOM 1375 CB ASN A 88 -13.097 9.655 -15.027 1.00 54.42 C ATOM 1376 CG ASN A 88 -12.074 10.770 -15.120 1.00 62.52 C ATOM 1377 OD1 ASN A 88 -12.417 11.924 -15.378 1.00 73.44 O ATOM 1378 ND2 ASN A 88 -10.807 10.429 -14.911 1.00 71.13 N ATOM 0 H ASN A 88 -13.773 7.783 -17.532 1.00 0.44 H new ATOM 0 HA ASN A 88 -11.982 8.726 -16.611 1.00 73.21 H new ATOM 0 HB2 ASN A 88 -14.063 10.023 -15.373 1.00 54.42 H new ATOM 0 HB3 ASN A 88 -13.221 9.366 -13.983 1.00 54.42 H new ATOM 0 HD21 ASN A 88 -10.074 11.136 -14.962 1.00 71.13 H new ATOM 0 HD22 ASN A 88 -10.568 9.460 -14.700 1.00 71.13 H new ATOM 1385 N TYR A 89 -11.967 6.154 -15.429 1.00 64.14 N ATOM 1386 CA TYR A 89 -11.363 5.069 -14.665 1.00 71.24 C ATOM 1387 C TYR A 89 -12.120 4.833 -13.361 1.00 53.51 C ATOM 1388 O TYR A 89 -11.519 4.596 -12.314 1.00 60.31 O ATOM 1389 CB TYR A 89 -9.896 5.380 -14.366 1.00 12.54 C ATOM 1390 CG TYR A 89 -9.071 5.653 -15.603 1.00 54.15 C ATOM 1391 CD1 TYR A 89 -9.363 5.028 -16.809 1.00 1.40 C ATOM 1392 CD2 TYR A 89 -8.000 6.537 -15.567 1.00 2.25 C ATOM 1393 CE1 TYR A 89 -8.612 5.273 -17.942 1.00 3.01 C ATOM 1394 CE2 TYR A 89 -7.243 6.791 -16.694 1.00 60.45 C ATOM 1395 CZ TYR A 89 -7.553 6.156 -17.880 1.00 22.51 C ATOM 1396 OH TYR A 89 -6.802 6.403 -19.006 1.00 2.44 O ATOM 0 H TYR A 89 -12.316 5.880 -16.347 1.00 64.14 H new ATOM 0 HA TYR A 89 -11.419 4.162 -15.267 1.00 71.24 H new ATOM 0 HB2 TYR A 89 -9.844 6.246 -13.706 1.00 12.54 H new ATOM 0 HB3 TYR A 89 -9.458 4.541 -13.825 1.00 12.54 H new ATOM 0 HD1 TYR A 89 -10.192 4.338 -16.861 1.00 1.40 H new ATOM 0 HD2 TYR A 89 -7.755 7.035 -14.641 1.00 2.25 H new ATOM 0 HE1 TYR A 89 -8.852 4.777 -18.871 1.00 3.01 H new ATOM 0 HE2 TYR A 89 -6.414 7.482 -16.648 1.00 60.45 H new ATOM 0 HH TYR A 89 -6.298 5.598 -19.246 1.00 2.44 H new ATOM 1406 N THR A 90 -13.447 4.902 -13.434 1.00 62.40 N ATOM 1407 CA THR A 90 -14.288 4.697 -12.262 1.00 51.23 C ATOM 1408 C THR A 90 -13.930 3.398 -11.548 1.00 3.42 C ATOM 1409 O THR A 90 -14.018 3.308 -10.323 1.00 42.33 O ATOM 1410 CB THR A 90 -15.781 4.667 -12.641 1.00 21.34 C ATOM 1411 OG1 THR A 90 -16.210 5.971 -13.044 1.00 54.43 O ATOM 1412 CG2 THR A 90 -16.626 4.189 -11.470 1.00 31.41 C ATOM 0 H THR A 90 -13.961 5.098 -14.293 1.00 62.40 H new ATOM 0 HA THR A 90 -14.107 5.538 -11.592 1.00 51.23 H new ATOM 0 HB THR A 90 -15.909 3.971 -13.470 1.00 21.34 H new ATOM 0 HG1 THR A 90 -15.483 6.421 -13.524 1.00 54.43 H new ATOM 0 HG21 THR A 90 -17.676 4.176 -11.761 1.00 31.41 H new ATOM 0 HG22 THR A 90 -16.316 3.184 -11.184 1.00 31.41 H new ATOM 0 HG23 THR A 90 -16.492 4.864 -10.625 1.00 31.41 H new ATOM 1420 N ALA A 91 -13.525 2.396 -12.321 1.00 11.44 N ATOM 1421 CA ALA A 91 -13.151 1.103 -11.761 1.00 11.41 C ATOM 1422 C ALA A 91 -12.135 1.266 -10.635 1.00 20.02 C ATOM 1423 O ALA A 91 -12.162 0.528 -9.649 1.00 32.21 O ATOM 1424 CB ALA A 91 -12.594 0.198 -12.849 1.00 72.31 C ATOM 0 H ALA A 91 -13.447 2.455 -13.336 1.00 11.44 H new ATOM 0 HA ALA A 91 -14.047 0.643 -11.344 1.00 11.41 H new ATOM 0 HB1 ALA A 91 -12.319 -0.764 -12.417 1.00 72.31 H new ATOM 0 HB2 ALA A 91 -13.350 0.047 -13.619 1.00 72.31 H new ATOM 0 HB3 ALA A 91 -11.713 0.662 -13.292 1.00 72.31 H new ATOM 1430 N LEU A 92 -11.240 2.235 -10.788 1.00 33.02 N ATOM 1431 CA LEU A 92 -10.214 2.495 -9.784 1.00 20.43 C ATOM 1432 C LEU A 92 -10.835 3.025 -8.495 1.00 25.20 C ATOM 1433 O LEU A 92 -10.358 2.734 -7.398 1.00 71.43 O ATOM 1434 CB LEU A 92 -9.189 3.495 -10.320 1.00 52.22 C ATOM 1435 CG LEU A 92 -9.560 4.972 -10.185 1.00 13.51 C ATOM 1436 CD1 LEU A 92 -9.083 5.524 -8.850 1.00 61.24 C ATOM 1437 CD2 LEU A 92 -8.975 5.777 -11.337 1.00 24.50 C ATOM 0 H LEU A 92 -11.204 2.854 -11.598 1.00 33.02 H new ATOM 0 HA LEU A 92 -9.711 1.554 -9.562 1.00 20.43 H new ATOM 0 HB2 LEU A 92 -8.244 3.329 -9.802 1.00 52.22 H new ATOM 0 HB3 LEU A 92 -9.017 3.279 -11.374 1.00 52.22 H new ATOM 0 HG LEU A 92 -10.646 5.058 -10.222 1.00 13.51 H new ATOM 0 HD11 LEU A 92 -9.356 6.576 -8.773 1.00 61.24 H new ATOM 0 HD12 LEU A 92 -9.551 4.967 -8.038 1.00 61.24 H new ATOM 0 HD13 LEU A 92 -8.000 5.425 -8.781 1.00 61.24 H new ATOM 0 HD21 LEU A 92 -9.249 6.826 -11.224 1.00 24.50 H new ATOM 0 HD22 LEU A 92 -7.889 5.683 -11.332 1.00 24.50 H new ATOM 0 HD23 LEU A 92 -9.367 5.399 -12.281 1.00 24.50 H new ATOM 1449 N VAL A 93 -11.902 3.804 -8.636 1.00 51.02 N ATOM 1450 CA VAL A 93 -12.591 4.372 -7.483 1.00 4.41 C ATOM 1451 C VAL A 93 -13.194 3.280 -6.609 1.00 60.34 C ATOM 1452 O VAL A 93 -13.004 3.268 -5.393 1.00 22.10 O ATOM 1453 CB VAL A 93 -13.707 5.341 -7.918 1.00 51.24 C ATOM 1454 CG1 VAL A 93 -14.623 5.662 -6.746 1.00 63.45 C ATOM 1455 CG2 VAL A 93 -13.111 6.613 -8.503 1.00 24.54 C ATOM 0 H VAL A 93 -12.308 4.056 -9.537 1.00 51.02 H new ATOM 0 HA VAL A 93 -11.845 4.922 -6.908 1.00 4.41 H new ATOM 0 HB VAL A 93 -14.303 4.857 -8.692 1.00 51.24 H new ATOM 0 HG11 VAL A 93 -15.405 6.348 -7.072 1.00 63.45 H new ATOM 0 HG12 VAL A 93 -15.077 4.743 -6.377 1.00 63.45 H new ATOM 0 HG13 VAL A 93 -14.044 6.126 -5.948 1.00 63.45 H new ATOM 0 HG21 VAL A 93 -13.914 7.286 -8.805 1.00 24.54 H new ATOM 0 HG22 VAL A 93 -12.490 7.103 -7.753 1.00 24.54 H new ATOM 0 HG23 VAL A 93 -12.501 6.363 -9.371 1.00 24.54 H new ATOM 1465 N ASP A 94 -13.920 2.362 -7.236 1.00 63.55 N ATOM 1466 CA ASP A 94 -14.550 1.261 -6.516 1.00 13.10 C ATOM 1467 C ASP A 94 -13.518 0.214 -6.112 1.00 24.10 C ATOM 1468 O ASP A 94 -13.674 -0.468 -5.099 1.00 23.03 O ATOM 1469 CB ASP A 94 -15.639 0.617 -7.376 1.00 15.33 C ATOM 1470 CG ASP A 94 -16.603 -0.220 -6.558 1.00 13.03 C ATOM 1471 OD1 ASP A 94 -16.346 -1.431 -6.394 1.00 44.32 O ATOM 1472 OD2 ASP A 94 -17.614 0.336 -6.081 1.00 61.34 O ATOM 0 H ASP A 94 -14.087 2.358 -8.242 1.00 63.55 H new ATOM 0 HA ASP A 94 -15.004 1.665 -5.611 1.00 13.10 H new ATOM 0 HB2 ASP A 94 -16.193 1.396 -7.899 1.00 15.33 H new ATOM 0 HB3 ASP A 94 -15.174 -0.009 -8.137 1.00 15.33 H new ATOM 1478 N ALA A 95 -12.464 0.090 -6.912 1.00 44.41 N ATOM 1479 CA ALA A 95 -11.406 -0.874 -6.637 1.00 44.33 C ATOM 1480 C ALA A 95 -10.563 -0.439 -5.442 1.00 74.22 C ATOM 1481 O ALA A 95 -10.433 -1.175 -4.463 1.00 13.52 O ATOM 1482 CB ALA A 95 -10.527 -1.056 -7.866 1.00 2.43 C ATOM 0 H ALA A 95 -12.320 0.645 -7.756 1.00 44.41 H new ATOM 0 HA ALA A 95 -11.872 -1.828 -6.391 1.00 44.33 H new ATOM 0 HB1 ALA A 95 -9.741 -1.779 -7.647 1.00 2.43 H new ATOM 0 HB2 ALA A 95 -11.133 -1.419 -8.696 1.00 2.43 H new ATOM 0 HB3 ALA A 95 -10.077 -0.101 -8.136 1.00 2.43 H new ATOM 1488 N ILE A 96 -9.994 0.758 -5.530 1.00 74.12 N ATOM 1489 CA ILE A 96 -9.166 1.290 -4.455 1.00 63.31 C ATOM 1490 C ILE A 96 -9.954 1.397 -3.155 1.00 33.25 C ATOM 1491 O ILE A 96 -9.431 1.123 -2.074 1.00 73.44 O ATOM 1492 CB ILE A 96 -8.598 2.675 -4.813 1.00 51.43 C ATOM 1493 CG1 ILE A 96 -7.686 2.575 -6.037 1.00 43.24 C ATOM 1494 CG2 ILE A 96 -7.843 3.261 -3.630 1.00 24.11 C ATOM 1495 CD1 ILE A 96 -6.454 1.728 -5.806 1.00 42.42 C ATOM 0 H ILE A 96 -10.091 1.378 -6.334 1.00 74.12 H new ATOM 0 HA ILE A 96 -8.340 0.592 -4.320 1.00 63.31 H new ATOM 0 HB ILE A 96 -9.428 3.340 -5.054 1.00 51.43 H new ATOM 0 HG12 ILE A 96 -8.253 2.158 -6.869 1.00 43.24 H new ATOM 0 HG13 ILE A 96 -7.377 3.578 -6.333 1.00 43.24 H new ATOM 0 HG21 ILE A 96 -7.448 4.240 -3.900 1.00 24.11 H new ATOM 0 HG22 ILE A 96 -8.519 3.364 -2.781 1.00 24.11 H new ATOM 0 HG23 ILE A 96 -7.020 2.599 -3.360 1.00 24.11 H new ATOM 0 HD11 ILE A 96 -5.854 1.702 -6.716 1.00 42.42 H new ATOM 0 HD12 ILE A 96 -5.865 2.156 -4.995 1.00 42.42 H new ATOM 0 HD13 ILE A 96 -6.754 0.714 -5.540 1.00 42.42 H new ATOM 1507 N TYR A 97 -11.216 1.796 -3.266 1.00 20.23 N ATOM 1508 CA TYR A 97 -12.078 1.940 -2.098 1.00 40.22 C ATOM 1509 C TYR A 97 -12.236 0.609 -1.370 1.00 1.11 C ATOM 1510 O TYR A 97 -12.363 0.570 -0.146 1.00 51.32 O ATOM 1511 CB TYR A 97 -13.451 2.472 -2.515 1.00 25.12 C ATOM 1512 CG TYR A 97 -13.546 3.982 -2.498 1.00 74.44 C ATOM 1513 CD1 TYR A 97 -12.502 4.767 -2.969 1.00 3.53 C ATOM 1514 CD2 TYR A 97 -14.679 4.621 -2.012 1.00 34.43 C ATOM 1515 CE1 TYR A 97 -12.584 6.147 -2.955 1.00 44.33 C ATOM 1516 CE2 TYR A 97 -14.771 5.999 -1.996 1.00 62.11 C ATOM 1517 CZ TYR A 97 -13.720 6.757 -2.468 1.00 74.01 C ATOM 1518 OH TYR A 97 -13.807 8.131 -2.452 1.00 64.33 O ATOM 0 H TYR A 97 -11.665 2.026 -4.153 1.00 20.23 H new ATOM 0 HA TYR A 97 -11.610 2.652 -1.418 1.00 40.22 H new ATOM 0 HB2 TYR A 97 -13.681 2.113 -3.518 1.00 25.12 H new ATOM 0 HB3 TYR A 97 -14.209 2.061 -1.848 1.00 25.12 H new ATOM 0 HD1 TYR A 97 -11.611 4.292 -3.353 1.00 3.53 H new ATOM 0 HD2 TYR A 97 -15.503 4.030 -1.640 1.00 34.43 H new ATOM 0 HE1 TYR A 97 -11.763 6.744 -3.324 1.00 44.33 H new ATOM 0 HE2 TYR A 97 -15.660 6.480 -1.616 1.00 62.11 H new ATOM 0 HH TYR A 97 -14.673 8.400 -2.079 1.00 64.33 H new ATOM 1528 N SER A 98 -12.226 -0.480 -2.131 1.00 44.53 N ATOM 1529 CA SER A 98 -12.371 -1.813 -1.560 1.00 24.22 C ATOM 1530 C SER A 98 -11.074 -2.264 -0.896 1.00 1.35 C ATOM 1531 O SER A 98 -11.058 -2.627 0.280 1.00 33.13 O ATOM 1532 CB SER A 98 -12.776 -2.814 -2.644 1.00 61.00 C ATOM 1533 OG SER A 98 -14.178 -2.802 -2.852 1.00 43.44 O ATOM 0 H SER A 98 -12.119 -0.465 -3.145 1.00 44.53 H new ATOM 0 HA SER A 98 -13.153 -1.773 -0.801 1.00 24.22 H new ATOM 0 HB2 SER A 98 -12.265 -2.572 -3.576 1.00 61.00 H new ATOM 0 HB3 SER A 98 -12.457 -3.816 -2.356 1.00 61.00 H new ATOM 0 HG SER A 98 -14.411 -3.449 -3.550 1.00 43.44 H new ATOM 1539 N VAL A 99 -9.985 -2.236 -1.658 1.00 30.45 N ATOM 1540 CA VAL A 99 -8.681 -2.640 -1.143 1.00 41.55 C ATOM 1541 C VAL A 99 -8.255 -1.759 0.026 1.00 73.41 C ATOM 1542 O VAL A 99 -7.941 -2.257 1.107 1.00 61.12 O ATOM 1543 CB VAL A 99 -7.602 -2.574 -2.240 1.00 21.40 C ATOM 1544 CG1 VAL A 99 -6.299 -3.181 -1.743 1.00 63.11 C ATOM 1545 CG2 VAL A 99 -8.080 -3.279 -3.500 1.00 41.35 C ATOM 0 H VAL A 99 -9.979 -1.938 -2.633 1.00 30.45 H new ATOM 0 HA VAL A 99 -8.780 -3.670 -0.801 1.00 41.55 H new ATOM 0 HB VAL A 99 -7.419 -1.527 -2.483 1.00 21.40 H new ATOM 0 HG11 VAL A 99 -5.548 -3.126 -2.531 1.00 63.11 H new ATOM 0 HG12 VAL A 99 -5.950 -2.629 -0.870 1.00 63.11 H new ATOM 0 HG13 VAL A 99 -6.464 -4.224 -1.471 1.00 63.11 H new ATOM 0 HG21 VAL A 99 -7.305 -3.223 -4.265 1.00 41.35 H new ATOM 0 HG22 VAL A 99 -8.292 -4.324 -3.274 1.00 41.35 H new ATOM 0 HG23 VAL A 99 -8.986 -2.796 -3.866 1.00 41.35 H new ATOM 1555 N GLU A 100 -8.249 -0.449 -0.198 1.00 21.53 N ATOM 1556 CA GLU A 100 -7.860 0.500 0.840 1.00 41.23 C ATOM 1557 C GLU A 100 -8.625 0.235 2.133 1.00 12.51 C ATOM 1558 O GLU A 100 -8.117 0.479 3.228 1.00 51.21 O ATOM 1559 CB GLU A 100 -8.113 1.934 0.370 1.00 41.24 C ATOM 1560 CG GLU A 100 -9.556 2.381 0.529 1.00 52.54 C ATOM 1561 CD GLU A 100 -9.812 3.749 -0.077 1.00 72.43 C ATOM 1562 OE1 GLU A 100 -8.881 4.309 -0.692 1.00 61.31 O ATOM 1563 OE2 GLU A 100 -10.944 4.258 0.065 1.00 62.20 O ATOM 0 H GLU A 100 -8.508 -0.021 -1.087 1.00 21.53 H new ATOM 0 HA GLU A 100 -6.795 0.371 1.035 1.00 41.23 H new ATOM 0 HB2 GLU A 100 -7.468 2.610 0.931 1.00 41.24 H new ATOM 0 HB3 GLU A 100 -7.829 2.019 -0.679 1.00 41.24 H new ATOM 0 HG2 GLU A 100 -10.213 1.650 0.058 1.00 52.54 H new ATOM 0 HG3 GLU A 100 -9.811 2.403 1.588 1.00 52.54 H new