USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 106 THR OG1 : rot 19:sc= 0.28 USER MOD Set 1.2: A 109 SER OG : rot 91:sc= 0.369 USER MOD Set 2.1: A 74 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot -14:sc= 0.962 USER MOD Set 3.2: A 67 ASN : amide:sc= 0.91 K(o=1.9,f=-2) USER MOD Single : A 33 MET CE :methyl 162:sc= -0.239 (180deg=-1.09) USER MOD Single : A 42 ASN : amide:sc= -0.819 K(o=-0.82,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.718 K(o=0.72,f=-1.6) USER MOD Single : A 50 ASN : amide:sc= -0.0648 X(o=-0.065,f=-0.12) USER MOD Single : A 51 MET CE :methyl 128:sc= -0.603 (180deg=-1.78) USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00779) USER MOD Single : A 56 SER OG : rot 83:sc= 1.25 USER MOD Single : A 59 CYS SG : rot 42:sc= 0 USER MOD Single : A 65 TYR OH : rot 35:sc= 1.27 USER MOD Single : A 70 THR OG1 : rot 136:sc= 1.17 USER MOD Single : A 71 LYS NZ :NH3+ -120:sc= 0.0563 (180deg=-1.41) USER MOD Single : A 77 CYS SG : rot 49:sc= 1.94 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 86 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.861) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.042) USER MOD Single : A 100 GLN : amide:sc=-0.00897 K(o=-0.009,f=-1) USER MOD Single : A 101 THR OG1 : rot -107:sc= 0.413 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.00068) USER MOD Single : A 108 TYR OH : rot -136:sc= 1.18 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 0:sc= -1.03 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.376 4.982 -3.427 1.00 0.00 N ATOM 439 CA ASP A 32 11.595 5.340 -2.252 1.00 0.00 C ATOM 440 C ASP A 32 10.128 5.013 -2.494 1.00 0.00 C ATOM 441 O ASP A 32 9.466 5.651 -3.315 1.00 0.00 O ATOM 442 CB ASP A 32 11.781 6.829 -1.939 1.00 0.00 C ATOM 443 CG ASP A 32 11.016 7.279 -0.712 1.00 0.00 C ATOM 444 OD1 ASP A 32 9.835 7.643 -0.849 1.00 0.00 O ATOM 445 OD2 ASP A 32 11.603 7.303 0.390 1.00 0.00 O ATOM 0 HA ASP A 32 11.940 4.764 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.842 7.034 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.458 7.418 -2.797 1.00 0.00 H new ATOM 450 N MET A 33 9.627 4.001 -1.794 1.00 0.00 N ATOM 451 CA MET A 33 8.278 3.496 -2.030 1.00 0.00 C ATOM 452 C MET A 33 7.212 4.523 -1.644 1.00 0.00 C ATOM 453 O MET A 33 6.075 4.441 -2.098 1.00 0.00 O ATOM 454 CB MET A 33 8.057 2.196 -1.255 1.00 0.00 C ATOM 455 CG MET A 33 6.871 1.381 -1.750 1.00 0.00 C ATOM 456 SD MET A 33 7.028 0.912 -3.488 1.00 0.00 S ATOM 457 CE MET A 33 8.644 0.142 -3.469 1.00 0.00 C ATOM 0 H MET A 33 10.136 3.513 -1.057 1.00 0.00 H new ATOM 0 HA MET A 33 8.182 3.302 -3.098 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.958 1.586 -1.322 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.909 2.433 -0.201 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.774 0.482 -1.142 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.956 1.958 -1.614 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.763 -0.476 -4.359 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.414 0.913 -3.457 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.740 -0.481 -2.579 1.00 0.00 H new ATOM 467 N ARG A 34 7.585 5.490 -0.813 1.00 0.00 N ATOM 468 CA ARG A 34 6.652 6.538 -0.383 1.00 0.00 C ATOM 469 C ARG A 34 6.139 7.341 -1.579 1.00 0.00 C ATOM 470 O ARG A 34 4.984 7.761 -1.603 1.00 0.00 O ATOM 471 CB ARG A 34 7.325 7.503 0.590 1.00 0.00 C ATOM 472 CG ARG A 34 7.923 6.856 1.826 1.00 0.00 C ATOM 473 CD ARG A 34 8.839 7.838 2.537 1.00 0.00 C ATOM 474 NE ARG A 34 9.348 7.329 3.807 1.00 0.00 N ATOM 475 CZ ARG A 34 10.643 7.170 4.076 1.00 0.00 C ATOM 476 NH1 ARG A 34 11.554 7.304 3.120 1.00 0.00 N ATOM 477 NH2 ARG A 34 11.029 6.833 5.300 1.00 0.00 N ATOM 0 H ARG A 34 8.523 5.574 -0.422 1.00 0.00 H new ATOM 0 HA ARG A 34 5.818 6.039 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.114 8.037 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.593 8.246 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.128 6.535 2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.482 5.963 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.679 8.079 1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.298 8.767 2.715 1.00 0.00 H new ATOM 0 HE ARG A 34 8.673 7.081 4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.265 7.531 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.543 7.180 3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.334 6.696 6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.020 6.711 5.507 1.00 0.00 H new ATOM 491 N LEU A 35 7.007 7.553 -2.561 1.00 0.00 N ATOM 492 CA LEU A 35 6.666 8.350 -3.740 1.00 0.00 C ATOM 493 C LEU A 35 5.634 7.631 -4.584 1.00 0.00 C ATOM 494 O LEU A 35 4.580 8.183 -4.899 1.00 0.00 O ATOM 495 CB LEU A 35 7.916 8.605 -4.569 1.00 0.00 C ATOM 496 CG LEU A 35 9.137 8.961 -3.741 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.390 8.978 -4.602 1.00 0.00 C ATOM 498 CD2 LEU A 35 8.946 10.305 -3.056 1.00 0.00 C ATOM 0 H LEU A 35 7.958 7.183 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 35 6.249 9.301 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.136 7.716 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.716 9.414 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 35 9.260 8.196 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.251 9.236 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.541 7.993 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.277 9.718 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.832 10.542 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.792 11.078 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.076 10.259 -2.400 1.00 0.00 H new ATOM 510 N GLU A 36 5.945 6.391 -4.940 1.00 0.00 N ATOM 511 CA GLU A 36 5.013 5.554 -5.677 1.00 0.00 C ATOM 512 C GLU A 36 3.754 5.322 -4.853 1.00 0.00 C ATOM 513 O GLU A 36 2.681 5.068 -5.398 1.00 0.00 O ATOM 514 CB GLU A 36 5.663 4.218 -6.050 1.00 0.00 C ATOM 515 CG GLU A 36 6.407 4.234 -7.381 1.00 0.00 C ATOM 516 CD GLU A 36 7.444 5.334 -7.476 1.00 0.00 C ATOM 517 OE1 GLU A 36 8.589 5.114 -7.035 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.126 6.420 -8.008 1.00 0.00 O ATOM 0 H GLU A 36 6.837 5.944 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 36 4.740 6.068 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.359 3.933 -5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.891 3.449 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.895 3.271 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.687 4.353 -8.190 1.00 0.00 H new ATOM 525 N ALA A 37 3.882 5.443 -3.537 1.00 0.00 N ATOM 526 CA ALA A 37 2.725 5.288 -2.658 1.00 0.00 C ATOM 527 C ALA A 37 1.809 6.497 -2.775 1.00 0.00 C ATOM 528 O ALA A 37 0.603 6.359 -2.990 1.00 0.00 O ATOM 529 CB ALA A 37 3.153 5.085 -1.212 1.00 0.00 C ATOM 0 H ALA A 37 4.760 5.645 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 37 2.179 4.399 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.270 4.973 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.768 4.188 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.729 5.948 -0.878 1.00 0.00 H new ATOM 535 N GLU A 38 2.400 7.680 -2.660 1.00 0.00 N ATOM 536 CA GLU A 38 1.665 8.932 -2.771 1.00 0.00 C ATOM 537 C GLU A 38 1.013 9.040 -4.148 1.00 0.00 C ATOM 538 O GLU A 38 -0.141 9.458 -4.270 1.00 0.00 O ATOM 539 CB GLU A 38 2.621 10.108 -2.504 1.00 0.00 C ATOM 540 CG GLU A 38 1.965 11.483 -2.507 1.00 0.00 C ATOM 541 CD GLU A 38 1.889 12.102 -3.889 1.00 0.00 C ATOM 542 OE1 GLU A 38 2.949 12.474 -4.438 1.00 0.00 O ATOM 543 OE2 GLU A 38 0.771 12.241 -4.428 1.00 0.00 O ATOM 0 H GLU A 38 3.398 7.798 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 38 0.868 8.960 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.102 9.954 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.408 10.096 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.959 11.400 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.524 12.147 -1.848 1.00 0.00 H new ATOM 550 N ALA A 39 1.751 8.629 -5.174 1.00 0.00 N ATOM 551 CA ALA A 39 1.240 8.630 -6.538 1.00 0.00 C ATOM 552 C ALA A 39 -0.055 7.832 -6.636 1.00 0.00 C ATOM 553 O ALA A 39 -1.032 8.296 -7.221 1.00 0.00 O ATOM 554 CB ALA A 39 2.281 8.073 -7.494 1.00 0.00 C ATOM 0 H ALA A 39 2.709 8.290 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 39 1.024 9.661 -6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.884 8.080 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.180 8.688 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.527 7.050 -7.208 1.00 0.00 H new ATOM 560 N VAL A 40 -0.057 6.643 -6.040 1.00 0.00 N ATOM 561 CA VAL A 40 -1.237 5.787 -6.025 1.00 0.00 C ATOM 562 C VAL A 40 -2.373 6.429 -5.231 1.00 0.00 C ATOM 563 O VAL A 40 -3.514 6.474 -5.693 1.00 0.00 O ATOM 564 CB VAL A 40 -0.912 4.397 -5.430 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.178 3.578 -5.224 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.062 3.643 -6.325 1.00 0.00 C ATOM 0 H VAL A 40 0.751 6.249 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.556 5.661 -7.060 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.445 4.553 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.918 2.606 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.843 4.103 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.680 3.438 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.277 2.668 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.380 3.509 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.987 4.212 -6.416 1.00 0.00 H new ATOM 576 N VAL A 41 -2.047 6.939 -4.045 1.00 0.00 N ATOM 577 CA VAL A 41 -3.035 7.560 -3.163 1.00 0.00 C ATOM 578 C VAL A 41 -3.802 8.674 -3.873 1.00 0.00 C ATOM 579 O VAL A 41 -5.020 8.778 -3.746 1.00 0.00 O ATOM 580 CB VAL A 41 -2.365 8.129 -1.890 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.353 8.933 -1.057 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.767 7.009 -1.055 1.00 0.00 C ATOM 0 H VAL A 41 -1.099 6.934 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.740 6.779 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.566 8.798 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.851 9.319 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.735 9.765 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.181 8.292 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.300 7.429 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.554 6.315 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.017 6.478 -1.642 1.00 0.00 H new ATOM 592 N ASN A 42 -3.089 9.493 -4.630 1.00 0.00 N ATOM 593 CA ASN A 42 -3.707 10.615 -5.324 1.00 0.00 C ATOM 594 C ASN A 42 -4.394 10.162 -6.613 1.00 0.00 C ATOM 595 O ASN A 42 -5.433 10.699 -6.992 1.00 0.00 O ATOM 596 CB ASN A 42 -2.653 11.684 -5.640 1.00 0.00 C ATOM 597 CG ASN A 42 -3.239 12.936 -6.271 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.598 13.583 -7.102 1.00 0.00 O ATOM 599 ND2 ASN A 42 -4.446 13.302 -5.870 1.00 0.00 N ATOM 0 H ASN A 42 -2.084 9.403 -4.780 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.467 11.039 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.135 11.957 -4.721 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.907 11.261 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.876 14.145 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.946 12.741 -5.180 1.00 0.00 H new ATOM 606 N ASP A 43 -3.821 9.156 -7.262 1.00 0.00 N ATOM 607 CA ASP A 43 -4.286 8.720 -8.580 1.00 0.00 C ATOM 608 C ASP A 43 -5.703 8.153 -8.521 1.00 0.00 C ATOM 609 O ASP A 43 -6.595 8.618 -9.227 1.00 0.00 O ATOM 610 CB ASP A 43 -3.333 7.669 -9.150 1.00 0.00 C ATOM 611 CG ASP A 43 -3.541 7.425 -10.633 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.057 8.246 -11.443 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.150 6.403 -10.995 1.00 0.00 O ATOM 0 H ASP A 43 -3.031 8.623 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.301 9.594 -9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.305 7.988 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.469 6.732 -8.610 1.00 0.00 H new ATOM 618 N VAL A 44 -5.916 7.171 -7.656 1.00 0.00 N ATOM 619 CA VAL A 44 -7.196 6.469 -7.601 1.00 0.00 C ATOM 620 C VAL A 44 -8.040 6.944 -6.422 1.00 0.00 C ATOM 621 O VAL A 44 -9.011 6.291 -6.035 1.00 0.00 O ATOM 622 CB VAL A 44 -6.999 4.940 -7.511 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.390 4.401 -8.799 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.133 4.573 -6.316 1.00 0.00 C ATOM 0 H VAL A 44 -5.223 6.841 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.722 6.700 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.978 4.481 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.259 3.322 -8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.053 4.623 -9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.422 4.872 -8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.009 3.491 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.156 5.046 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.612 4.918 -5.400 1.00 0.00 H new ATOM 634 N LEU A 45 -7.679 8.101 -5.882 1.00 0.00 N ATOM 635 CA LEU A 45 -8.358 8.663 -4.714 1.00 0.00 C ATOM 636 C LEU A 45 -9.865 8.818 -4.950 1.00 0.00 C ATOM 637 O LEU A 45 -10.673 8.523 -4.069 1.00 0.00 O ATOM 638 CB LEU A 45 -7.748 10.022 -4.361 1.00 0.00 C ATOM 639 CG LEU A 45 -8.299 10.677 -3.093 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.027 9.806 -1.876 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.696 12.059 -2.906 1.00 0.00 C ATOM 0 H LEU A 45 -6.914 8.675 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.220 7.969 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.671 9.900 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.906 10.701 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.378 10.782 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.427 10.290 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.507 8.836 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.952 9.666 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.098 12.512 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.613 11.975 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.944 12.683 -3.764 1.00 0.00 H new ATOM 653 N PHE A 46 -10.240 9.252 -6.149 1.00 0.00 N ATOM 654 CA PHE A 46 -11.643 9.542 -6.450 1.00 0.00 C ATOM 655 C PHE A 46 -12.450 8.260 -6.688 1.00 0.00 C ATOM 656 O PHE A 46 -13.667 8.307 -6.880 1.00 0.00 O ATOM 657 CB PHE A 46 -11.760 10.489 -7.655 1.00 0.00 C ATOM 658 CG PHE A 46 -11.140 9.973 -8.926 1.00 0.00 C ATOM 659 CD1 PHE A 46 -9.801 10.194 -9.200 1.00 0.00 C ATOM 660 CD2 PHE A 46 -11.902 9.283 -9.851 1.00 0.00 C ATOM 661 CE1 PHE A 46 -9.233 9.731 -10.372 1.00 0.00 C ATOM 662 CE2 PHE A 46 -11.340 8.814 -11.024 1.00 0.00 C ATOM 663 CZ PHE A 46 -10.004 9.042 -11.287 1.00 0.00 C ATOM 0 H PHE A 46 -9.598 9.411 -6.926 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.066 10.039 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.815 10.692 -7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.292 11.440 -7.399 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.193 10.735 -8.490 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.950 9.108 -9.655 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.187 9.908 -10.572 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -11.945 8.270 -11.734 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.563 8.683 -12.205 1.00 0.00 H new ATOM 673 N ALA A 47 -11.777 7.118 -6.661 1.00 0.00 N ATOM 674 CA ALA A 47 -12.452 5.838 -6.818 1.00 0.00 C ATOM 675 C ALA A 47 -12.969 5.343 -5.470 1.00 0.00 C ATOM 676 O ALA A 47 -13.887 4.530 -5.404 1.00 0.00 O ATOM 677 CB ALA A 47 -11.519 4.810 -7.443 1.00 0.00 C ATOM 0 H ALA A 47 -10.767 7.052 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.302 5.976 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.044 3.861 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.196 5.160 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.648 4.672 -6.802 1.00 0.00 H new ATOM 683 N VAL A 48 -12.405 5.879 -4.397 1.00 0.00 N ATOM 684 CA VAL A 48 -12.751 5.455 -3.045 1.00 0.00 C ATOM 685 C VAL A 48 -13.139 6.662 -2.197 1.00 0.00 C ATOM 686 O VAL A 48 -13.365 7.745 -2.734 1.00 0.00 O ATOM 687 CB VAL A 48 -11.579 4.702 -2.374 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.274 3.409 -3.116 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.340 5.582 -2.302 1.00 0.00 C ATOM 0 H VAL A 48 -11.700 6.615 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.599 4.774 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.878 4.451 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.446 2.895 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.155 2.768 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.002 3.636 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.529 5.030 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.040 5.871 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.562 6.476 -1.719 1.00 0.00 H new ATOM 699 N ASN A 49 -13.251 6.472 -0.889 1.00 0.00 N ATOM 700 CA ASN A 49 -13.542 7.585 0.011 1.00 0.00 C ATOM 701 C ASN A 49 -12.265 8.336 0.355 1.00 0.00 C ATOM 702 O ASN A 49 -12.159 9.543 0.138 1.00 0.00 O ATOM 703 CB ASN A 49 -14.192 7.112 1.315 1.00 0.00 C ATOM 704 CG ASN A 49 -15.555 6.484 1.122 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.245 6.746 0.135 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.967 5.681 2.089 1.00 0.00 N ATOM 0 H ASN A 49 -13.146 5.568 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.239 8.239 -0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.534 6.389 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.285 7.961 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.890 5.250 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.362 5.492 2.888 1.00 0.00 H new ATOM 713 N ASN A 50 -11.298 7.612 0.901 1.00 0.00 N ATOM 714 CA ASN A 50 -10.054 8.215 1.360 1.00 0.00 C ATOM 715 C ASN A 50 -8.930 7.187 1.374 1.00 0.00 C ATOM 716 O ASN A 50 -9.154 6.008 1.658 1.00 0.00 O ATOM 717 CB ASN A 50 -10.244 8.810 2.761 1.00 0.00 C ATOM 718 CG ASN A 50 -8.948 9.303 3.379 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.268 8.568 4.096 1.00 0.00 O ATOM 720 ND2 ASN A 50 -8.601 10.551 3.109 1.00 0.00 N ATOM 0 H ASN A 50 -11.351 6.603 1.037 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.781 9.012 0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.951 9.638 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.687 8.056 3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.742 10.937 3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.193 11.127 2.510 1.00 0.00 H new ATOM 727 N MET A 51 -7.729 7.641 1.047 1.00 0.00 N ATOM 728 CA MET A 51 -6.544 6.810 1.114 1.00 0.00 C ATOM 729 C MET A 51 -5.479 7.514 1.940 1.00 0.00 C ATOM 730 O MET A 51 -5.393 8.742 1.935 1.00 0.00 O ATOM 731 CB MET A 51 -6.007 6.503 -0.286 1.00 0.00 C ATOM 732 CG MET A 51 -6.974 5.714 -1.151 1.00 0.00 C ATOM 733 SD MET A 51 -6.281 5.265 -2.753 1.00 0.00 S ATOM 734 CE MET A 51 -4.934 4.198 -2.251 1.00 0.00 C ATOM 0 H MET A 51 -7.552 8.594 0.729 1.00 0.00 H new ATOM 0 HA MET A 51 -6.808 5.864 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.767 7.441 -0.787 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.076 5.943 -0.194 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.269 4.808 -0.622 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.879 6.302 -1.305 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.998 3.253 -2.790 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.983 4.681 -2.478 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.999 4.010 -1.179 1.00 0.00 H new ATOM 744 N PHE A 52 -4.677 6.733 2.642 1.00 0.00 N ATOM 745 CA PHE A 52 -3.662 7.267 3.538 1.00 0.00 C ATOM 746 C PHE A 52 -2.483 6.297 3.580 1.00 0.00 C ATOM 747 O PHE A 52 -2.530 5.251 2.946 1.00 0.00 O ATOM 748 CB PHE A 52 -4.271 7.461 4.937 1.00 0.00 C ATOM 749 CG PHE A 52 -3.413 8.240 5.895 1.00 0.00 C ATOM 750 CD1 PHE A 52 -3.058 9.551 5.622 1.00 0.00 C ATOM 751 CD2 PHE A 52 -2.971 7.662 7.074 1.00 0.00 C ATOM 752 CE1 PHE A 52 -2.278 10.270 6.506 1.00 0.00 C ATOM 753 CE2 PHE A 52 -2.189 8.376 7.962 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.841 9.681 7.677 1.00 0.00 C ATOM 0 H PHE A 52 -4.709 5.714 2.609 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.307 8.234 3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.229 7.970 4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.475 6.481 5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.395 10.016 4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.241 6.641 7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.010 11.292 6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.851 7.914 8.878 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.228 10.241 8.368 1.00 0.00 H new ATOM 764 N VAL A 53 -1.435 6.635 4.306 1.00 0.00 N ATOM 765 CA VAL A 53 -0.291 5.746 4.437 1.00 0.00 C ATOM 766 C VAL A 53 -0.159 5.274 5.886 1.00 0.00 C ATOM 767 O VAL A 53 -0.220 6.076 6.820 1.00 0.00 O ATOM 768 CB VAL A 53 1.017 6.430 3.967 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.295 7.700 4.760 1.00 0.00 C ATOM 770 CG2 VAL A 53 2.194 5.470 4.052 1.00 0.00 C ATOM 0 H VAL A 53 -1.349 7.515 4.814 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.459 4.882 3.794 1.00 0.00 H new ATOM 0 HB VAL A 53 0.884 6.713 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.220 8.155 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.471 8.401 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.394 7.454 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.100 5.975 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.322 5.142 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.004 4.605 3.417 1.00 0.00 H new ATOM 780 N SER A 54 0.005 3.972 6.067 1.00 0.00 N ATOM 781 CA SER A 54 0.054 3.382 7.393 1.00 0.00 C ATOM 782 C SER A 54 1.337 3.771 8.117 1.00 0.00 C ATOM 783 O SER A 54 2.428 3.294 7.797 1.00 0.00 O ATOM 784 CB SER A 54 -0.063 1.866 7.289 1.00 0.00 C ATOM 785 OG SER A 54 -1.202 1.503 6.529 1.00 0.00 O ATOM 0 H SER A 54 0.107 3.301 5.305 1.00 0.00 H new ATOM 0 HA SER A 54 -0.785 3.764 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.835 1.458 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.132 1.432 8.287 1.00 0.00 H new ATOM 0 HG SER A 54 -1.791 2.280 6.431 1.00 0.00 H new ATOM 791 N LYS A 55 1.194 4.649 9.093 1.00 0.00 N ATOM 792 CA LYS A 55 2.325 5.150 9.850 1.00 0.00 C ATOM 793 C LYS A 55 2.455 4.408 11.171 1.00 0.00 C ATOM 794 O LYS A 55 3.153 4.849 12.082 1.00 0.00 O ATOM 795 CB LYS A 55 2.161 6.653 10.081 1.00 0.00 C ATOM 796 CG LYS A 55 2.412 7.483 8.830 1.00 0.00 C ATOM 797 CD LYS A 55 1.855 8.892 8.960 1.00 0.00 C ATOM 798 CE LYS A 55 2.408 9.618 10.178 1.00 0.00 C ATOM 799 NZ LYS A 55 3.884 9.800 10.120 1.00 0.00 N ATOM 0 H LYS A 55 0.294 5.033 9.382 1.00 0.00 H new ATOM 0 HA LYS A 55 3.240 4.980 9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.152 6.850 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.849 6.971 10.864 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.484 7.533 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.956 6.991 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.094 9.460 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.768 8.846 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.929 10.594 10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.151 9.058 11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.202 10.329 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.348 8.869 10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.135 10.329 9.260 1.00 0.00 H new ATOM 813 N SER A 56 1.787 3.267 11.262 1.00 0.00 N ATOM 814 CA SER A 56 1.866 2.442 12.454 1.00 0.00 C ATOM 815 C SER A 56 2.789 1.266 12.177 1.00 0.00 C ATOM 816 O SER A 56 3.010 0.404 13.026 1.00 0.00 O ATOM 817 CB SER A 56 0.473 1.949 12.841 1.00 0.00 C ATOM 818 OG SER A 56 -0.469 3.006 12.775 1.00 0.00 O ATOM 0 H SER A 56 1.187 2.894 10.526 1.00 0.00 H new ATOM 0 HA SER A 56 2.264 3.026 13.284 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.169 1.142 12.174 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.495 1.537 13.850 1.00 0.00 H new ATOM 0 HG SER A 56 -0.779 3.111 11.851 1.00 0.00 H new ATOM 824 N LEU A 57 3.325 1.249 10.964 1.00 0.00 N ATOM 825 CA LEU A 57 4.200 0.192 10.515 1.00 0.00 C ATOM 826 C LEU A 57 5.448 0.814 9.907 1.00 0.00 C ATOM 827 O LEU A 57 5.872 1.893 10.320 1.00 0.00 O ATOM 828 CB LEU A 57 3.492 -0.691 9.475 1.00 0.00 C ATOM 829 CG LEU A 57 2.180 -1.349 9.921 1.00 0.00 C ATOM 830 CD1 LEU A 57 1.004 -0.403 9.767 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.927 -2.603 9.122 1.00 0.00 C ATOM 0 H LEU A 57 3.160 1.974 10.266 1.00 0.00 H new ATOM 0 HA LEU A 57 4.473 -0.436 11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.287 -0.084 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.182 -1.477 9.168 1.00 0.00 H new ATOM 0 HG LEU A 57 2.280 -1.602 10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.091 -0.902 10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.169 0.485 10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.906 -0.112 8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.993 -3.060 9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.858 -2.352 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.747 -3.304 9.276 1.00 0.00 H new ATOM 843 N ARG A 58 6.022 0.148 8.923 1.00 0.00 N ATOM 844 CA ARG A 58 7.198 0.665 8.245 1.00 0.00 C ATOM 845 C ARG A 58 6.899 0.929 6.779 1.00 0.00 C ATOM 846 O ARG A 58 6.232 0.134 6.115 1.00 0.00 O ATOM 847 CB ARG A 58 8.377 -0.306 8.364 1.00 0.00 C ATOM 848 CG ARG A 58 8.103 -1.680 7.780 1.00 0.00 C ATOM 849 CD ARG A 58 9.337 -2.561 7.830 1.00 0.00 C ATOM 850 NE ARG A 58 8.994 -3.974 7.981 1.00 0.00 N ATOM 851 CZ ARG A 58 9.287 -4.922 7.093 1.00 0.00 C ATOM 852 NH1 ARG A 58 9.892 -4.614 5.951 1.00 0.00 N ATOM 853 NH2 ARG A 58 8.969 -6.183 7.350 1.00 0.00 N ATOM 0 H ARG A 58 5.694 -0.753 8.574 1.00 0.00 H new ATOM 0 HA ARG A 58 7.470 1.603 8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.243 0.126 7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.641 -0.415 9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.292 -2.156 8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.769 -1.578 6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.918 -2.424 6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.971 -2.251 8.661 1.00 0.00 H new ATOM 0 HE ARG A 58 8.495 -4.253 8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.136 -3.645 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.112 -5.347 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.502 -6.423 8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.191 -6.913 6.673 1.00 0.00 H new ATOM 867 N CYS A 59 7.371 2.058 6.292 1.00 0.00 N ATOM 868 CA CYS A 59 7.292 2.381 4.883 1.00 0.00 C ATOM 869 C CYS A 59 8.372 3.371 4.520 1.00 0.00 C ATOM 870 O CYS A 59 8.408 4.493 5.032 1.00 0.00 O ATOM 871 CB CYS A 59 5.924 2.938 4.506 1.00 0.00 C ATOM 872 SG CYS A 59 5.274 4.175 5.659 1.00 0.00 S ATOM 0 H CYS A 59 7.819 2.776 6.861 1.00 0.00 H new ATOM 0 HA CYS A 59 7.439 1.458 4.322 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.988 3.383 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.215 2.113 4.440 1.00 0.00 H new ATOM 0 HG CYS A 59 6.232 4.975 6.022 1.00 0.00 H new ATOM 878 N ALA A 60 9.264 2.951 3.652 1.00 0.00 N ATOM 879 CA ALA A 60 10.375 3.795 3.261 1.00 0.00 C ATOM 880 C ALA A 60 10.854 3.477 1.862 1.00 0.00 C ATOM 881 O ALA A 60 10.799 4.306 0.957 1.00 0.00 O ATOM 882 CB ALA A 60 11.527 3.612 4.236 1.00 0.00 C ATOM 0 H ALA A 60 9.244 2.035 3.204 1.00 0.00 H new ATOM 0 HA ALA A 60 10.027 4.828 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.360 4.248 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.201 3.886 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.846 2.570 4.230 1.00 0.00 H new ATOM 888 N ASP A 61 11.282 2.248 1.696 1.00 0.00 N ATOM 889 CA ASP A 61 12.106 1.870 0.559 1.00 0.00 C ATOM 890 C ASP A 61 11.472 0.764 -0.275 1.00 0.00 C ATOM 891 O ASP A 61 11.069 0.993 -1.414 1.00 0.00 O ATOM 892 CB ASP A 61 13.517 1.454 1.039 1.00 0.00 C ATOM 893 CG ASP A 61 13.519 0.411 2.160 1.00 0.00 C ATOM 894 OD1 ASP A 61 12.439 0.100 2.710 1.00 0.00 O ATOM 895 OD2 ASP A 61 14.610 -0.096 2.506 1.00 0.00 O ATOM 0 H ASP A 61 11.074 1.482 2.337 1.00 0.00 H new ATOM 0 HA ASP A 61 12.190 2.743 -0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.075 1.059 0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.047 2.342 1.384 1.00 0.00 H new ATOM 900 N ASP A 62 11.368 -0.423 0.292 1.00 0.00 N ATOM 901 CA ASP A 62 10.912 -1.583 -0.467 1.00 0.00 C ATOM 902 C ASP A 62 9.438 -1.850 -0.222 1.00 0.00 C ATOM 903 O ASP A 62 8.774 -2.514 -1.021 1.00 0.00 O ATOM 904 CB ASP A 62 11.729 -2.829 -0.099 1.00 0.00 C ATOM 905 CG ASP A 62 11.303 -3.449 1.221 1.00 0.00 C ATOM 906 OD1 ASP A 62 11.597 -2.863 2.286 1.00 0.00 O ATOM 907 OD2 ASP A 62 10.673 -4.525 1.197 1.00 0.00 O ATOM 0 H ASP A 62 11.590 -0.614 1.269 1.00 0.00 H new ATOM 0 HA ASP A 62 11.057 -1.362 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.628 -3.570 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.784 -2.562 -0.045 1.00 0.00 H new ATOM 912 N VAL A 63 8.926 -1.313 0.872 1.00 0.00 N ATOM 913 CA VAL A 63 7.560 -1.579 1.280 1.00 0.00 C ATOM 914 C VAL A 63 6.885 -0.315 1.794 1.00 0.00 C ATOM 915 O VAL A 63 7.510 0.518 2.458 1.00 0.00 O ATOM 916 CB VAL A 63 7.504 -2.689 2.362 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.335 -2.311 3.576 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.068 -2.984 2.772 1.00 0.00 C ATOM 0 H VAL A 63 9.439 -0.688 1.494 1.00 0.00 H new ATOM 0 HA VAL A 63 7.020 -1.927 0.400 1.00 0.00 H new ATOM 0 HB VAL A 63 7.927 -3.594 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.278 -3.107 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.373 -2.169 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.951 -1.386 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.060 -3.766 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.612 -2.080 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.502 -3.317 1.902 1.00 0.00 H new ATOM 928 N ALA A 64 5.624 -0.160 1.436 1.00 0.00 N ATOM 929 CA ALA A 64 4.797 0.907 1.960 1.00 0.00 C ATOM 930 C ALA A 64 3.379 0.406 2.170 1.00 0.00 C ATOM 931 O ALA A 64 2.728 -0.041 1.227 1.00 0.00 O ATOM 932 CB ALA A 64 4.804 2.105 1.025 1.00 0.00 C ATOM 0 H ALA A 64 5.146 -0.771 0.774 1.00 0.00 H new ATOM 0 HA ALA A 64 5.206 1.225 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.176 2.894 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.824 2.474 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.417 1.808 0.050 1.00 0.00 H new ATOM 938 N TYR A 65 2.909 0.464 3.404 1.00 0.00 N ATOM 939 CA TYR A 65 1.552 0.057 3.709 1.00 0.00 C ATOM 940 C TYR A 65 0.609 1.227 3.498 1.00 0.00 C ATOM 941 O TYR A 65 0.838 2.316 4.017 1.00 0.00 O ATOM 942 CB TYR A 65 1.451 -0.470 5.142 1.00 0.00 C ATOM 943 CG TYR A 65 2.205 -1.762 5.356 1.00 0.00 C ATOM 944 CD1 TYR A 65 1.614 -2.987 5.071 1.00 0.00 C ATOM 945 CD2 TYR A 65 3.508 -1.758 5.835 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.301 -4.168 5.257 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.201 -2.938 6.023 1.00 0.00 C ATOM 948 CZ TYR A 65 3.593 -4.140 5.733 1.00 0.00 C ATOM 949 OH TYR A 65 4.278 -5.315 5.915 1.00 0.00 O ATOM 0 H TYR A 65 3.447 0.788 4.208 1.00 0.00 H new ATOM 0 HA TYR A 65 1.267 -0.753 3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.835 0.285 5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.401 -0.624 5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.601 -3.014 4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.987 -0.818 6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.827 -5.112 5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.215 -2.919 6.396 1.00 0.00 H new ATOM 0 HH TYR A 65 4.025 -5.953 5.215 1.00 0.00 H new ATOM 959 N ILE A 66 -0.426 1.007 2.710 1.00 0.00 N ATOM 960 CA ILE A 66 -1.359 2.062 2.359 1.00 0.00 C ATOM 961 C ILE A 66 -2.767 1.723 2.838 1.00 0.00 C ATOM 962 O ILE A 66 -3.261 0.615 2.632 1.00 0.00 O ATOM 963 CB ILE A 66 -1.382 2.293 0.832 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.010 2.686 0.328 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.405 3.360 0.461 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.085 2.854 -1.173 1.00 0.00 C ATOM 0 H ILE A 66 -0.643 0.100 2.298 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.022 2.974 2.853 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.674 1.360 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.310 3.619 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.727 1.925 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.403 3.506 -0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.396 3.041 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.148 4.298 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.100 3.132 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.184 1.916 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.607 3.636 -1.487 1.00 0.00 H new ATOM 978 N ASN A 67 -3.393 2.687 3.482 1.00 0.00 N ATOM 979 CA ASN A 67 -4.769 2.559 3.930 1.00 0.00 C ATOM 980 C ASN A 67 -5.700 3.006 2.816 1.00 0.00 C ATOM 981 O ASN A 67 -5.561 4.111 2.297 1.00 0.00 O ATOM 982 CB ASN A 67 -5.020 3.433 5.162 1.00 0.00 C ATOM 983 CG ASN A 67 -4.088 3.128 6.319 1.00 0.00 C ATOM 984 OD1 ASN A 67 -2.978 3.647 6.387 1.00 0.00 O ATOM 985 ND2 ASN A 67 -4.541 2.302 7.247 1.00 0.00 N ATOM 0 H ASN A 67 -2.963 3.583 3.711 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.955 1.517 4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.910 4.481 4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.051 3.297 5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.962 2.076 8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.470 1.891 7.154 1.00 0.00 H new ATOM 992 N VAL A 68 -6.635 2.158 2.437 1.00 0.00 N ATOM 993 CA VAL A 68 -7.576 2.508 1.387 1.00 0.00 C ATOM 994 C VAL A 68 -9.007 2.199 1.813 1.00 0.00 C ATOM 995 O VAL A 68 -9.370 1.049 2.048 1.00 0.00 O ATOM 996 CB VAL A 68 -7.239 1.797 0.052 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.128 0.290 0.232 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.272 2.132 -1.014 1.00 0.00 C ATOM 0 H VAL A 68 -6.765 1.228 2.835 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.489 3.582 1.220 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.267 2.164 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.891 -0.174 -0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.338 0.066 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.075 -0.103 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.015 1.622 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.257 1.806 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.284 3.209 -1.183 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.807 3.240 1.940 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.204 3.084 2.291 1.00 0.00 C ATOM 1010 C GLU A 69 -12.063 3.225 1.045 1.00 0.00 C ATOM 1011 O GLU A 69 -12.228 4.330 0.527 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.611 4.132 3.326 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.038 3.977 3.828 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.445 5.082 4.776 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -12.879 5.161 5.883 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -14.349 5.869 4.423 1.00 0.00 O ATOM 0 H GLU A 69 -9.511 4.207 1.805 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.352 2.093 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.929 4.075 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.495 5.124 2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.719 3.964 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.139 3.016 4.332 1.00 0.00 H new ATOM 1023 N THR A 70 -12.592 2.113 0.559 1.00 0.00 N ATOM 1024 CA THR A 70 -13.406 2.121 -0.645 1.00 0.00 C ATOM 1025 C THR A 70 -14.740 2.812 -0.380 1.00 0.00 C ATOM 1026 O THR A 70 -15.032 3.194 0.753 1.00 0.00 O ATOM 1027 CB THR A 70 -13.659 0.689 -1.158 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.417 -0.056 -0.198 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.349 -0.029 -1.436 1.00 0.00 C ATOM 0 H THR A 70 -12.472 1.192 0.981 1.00 0.00 H new ATOM 0 HA THR A 70 -12.859 2.671 -1.411 1.00 0.00 H new ATOM 0 HB THR A 70 -14.223 0.762 -2.088 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.122 -0.559 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.556 -1.037 -1.797 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.787 0.519 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.763 -0.085 -0.519 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.560 2.948 -1.414 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.857 3.605 -1.275 1.00 0.00 C ATOM 1039 C LYS A 71 -17.859 2.701 -0.551 1.00 0.00 C ATOM 1040 O LYS A 71 -19.029 3.048 -0.393 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.386 4.038 -2.645 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.745 5.323 -3.154 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.190 5.665 -4.568 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.808 7.093 -4.942 1.00 0.00 C ATOM 1045 NZ LYS A 71 -15.359 7.365 -4.747 1.00 0.00 N ATOM 0 H LYS A 71 -15.353 2.614 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.725 4.499 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.208 3.240 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.465 4.177 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.001 6.145 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.660 5.220 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.735 4.969 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.270 5.542 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.071 7.275 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.390 7.791 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.240 8.138 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.890 6.509 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.932 7.639 -5.655 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.383 1.544 -0.113 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.159 0.669 0.754 1.00 0.00 C ATOM 1061 C GLU A 72 -17.887 1.033 2.209 1.00 0.00 C ATOM 1062 O GLU A 72 -18.504 0.489 3.127 1.00 0.00 O ATOM 1063 CB GLU A 72 -17.797 -0.802 0.518 1.00 0.00 C ATOM 1064 CG GLU A 72 -18.181 -1.333 -0.855 1.00 0.00 C ATOM 1065 CD GLU A 72 -17.397 -0.698 -1.985 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -16.175 -0.911 -2.059 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -18.009 0.007 -2.813 1.00 0.00 O ATOM 0 H GLU A 72 -16.456 1.188 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.216 0.802 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.723 -0.925 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.286 -1.410 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.026 -2.412 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.245 -1.161 -1.019 1.00 0.00 H new ATOM 1074 N ARG A 73 -16.933 1.949 2.391 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.519 2.437 3.706 1.00 0.00 C ATOM 1076 C ARG A 73 -15.722 1.368 4.451 1.00 0.00 C ATOM 1077 O ARG A 73 -15.469 1.484 5.648 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.727 2.902 4.532 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.513 4.249 5.207 1.00 0.00 C ATOM 1080 CD ARG A 73 -16.540 4.157 6.371 1.00 0.00 C ATOM 1081 NE ARG A 73 -15.967 5.456 6.707 1.00 0.00 N ATOM 1082 CZ ARG A 73 -15.999 5.999 7.921 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -16.659 5.399 8.903 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -15.387 7.154 8.143 1.00 0.00 N ATOM 0 H ARG A 73 -16.421 2.377 1.620 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.871 3.301 3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.600 2.964 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.948 2.153 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.136 4.965 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.469 4.631 5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.054 3.751 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.739 3.461 6.120 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.512 5.983 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.144 4.519 8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.682 5.818 9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.893 7.624 7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.410 7.573 9.073 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.309 0.337 3.733 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.472 -0.696 4.313 1.00 0.00 C ATOM 1100 C ASN A 74 -13.013 -0.348 4.073 1.00 0.00 C ATOM 1101 O ASN A 74 -12.628 0.014 2.960 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.817 -2.069 3.728 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.085 -3.198 4.430 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -13.690 -3.073 5.593 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -13.928 -4.319 3.745 1.00 0.00 N ATOM 0 H ASN A 74 -15.540 0.194 2.750 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.653 -0.747 5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.892 -2.234 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.567 -2.082 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.466 -5.120 4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.269 -4.382 2.786 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.215 -0.431 5.123 1.00 0.00 N ATOM 1113 CA ARG A 75 -10.830 0.003 5.066 1.00 0.00 C ATOM 1114 C ARG A 75 -9.916 -1.184 4.826 1.00 0.00 C ATOM 1115 O ARG A 75 -9.919 -2.136 5.595 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.415 0.714 6.366 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.128 2.037 6.632 1.00 0.00 C ATOM 1118 CD ARG A 75 -12.566 1.842 7.093 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.650 1.052 8.323 1.00 0.00 N ATOM 1120 CZ ARG A 75 -13.523 0.062 8.512 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -14.461 -0.180 7.602 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -13.482 -0.659 9.627 1.00 0.00 N ATOM 0 H ARG A 75 -12.504 -0.797 6.030 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.737 0.708 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.601 0.043 7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.341 0.897 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.579 2.596 7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.120 2.640 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.029 2.815 7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.134 1.347 6.306 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.003 1.272 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.513 0.392 6.759 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.129 -0.937 7.747 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.782 -0.456 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.151 -1.416 9.770 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.142 -1.128 3.762 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.179 -2.176 3.469 1.00 0.00 C ATOM 1138 C TYR A 76 -6.760 -1.686 3.723 1.00 0.00 C ATOM 1139 O TYR A 76 -6.470 -0.492 3.601 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.291 -2.637 2.011 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.568 -3.376 1.672 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -9.740 -4.707 2.035 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.588 -2.752 0.967 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -10.893 -5.393 1.703 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.745 -3.431 0.635 1.00 0.00 C ATOM 1146 CZ TYR A 76 -11.893 -4.751 1.003 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.037 -5.434 0.661 1.00 0.00 O ATOM 0 H TYR A 76 -9.159 -0.367 3.083 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.401 -3.016 4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.210 -1.765 1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.443 -3.283 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.960 -5.213 2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.476 -1.719 0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.010 -6.427 1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.530 -2.929 0.089 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.641 -4.837 0.172 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.885 -2.608 4.091 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.470 -2.307 4.244 1.00 0.00 C ATOM 1159 C CYS A 77 -3.683 -2.958 3.115 1.00 0.00 C ATOM 1160 O CYS A 77 -3.653 -4.183 2.996 1.00 0.00 O ATOM 1161 CB CYS A 77 -3.952 -2.801 5.597 1.00 0.00 C ATOM 1162 SG CYS A 77 -4.745 -2.022 7.025 1.00 0.00 S ATOM 0 H CYS A 77 -6.132 -3.577 4.291 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.337 -1.226 4.202 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.099 -3.879 5.658 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -2.878 -2.622 5.650 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.036 -2.057 6.877 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.070 -2.141 2.275 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.336 -2.646 1.126 1.00 0.00 C ATOM 1170 C LEU A 78 -0.836 -2.627 1.381 1.00 0.00 C ATOM 1171 O LEU A 78 -0.284 -1.624 1.826 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.655 -1.816 -0.121 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.127 -1.784 -0.527 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.317 -0.916 -1.759 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.652 -3.190 -0.778 1.00 0.00 C ATOM 0 H LEU A 78 -3.066 -1.125 2.367 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.648 -3.677 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.320 -0.793 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.074 -2.207 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.698 -1.352 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.371 -0.903 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.986 0.100 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.730 -1.321 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.702 -3.140 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.078 -3.655 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.552 -3.783 0.131 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.187 -3.744 1.102 1.00 0.00 N ATOM 1188 CA GLU A 79 1.258 -3.834 1.166 1.00 0.00 C ATOM 1189 C GLU A 79 1.832 -3.560 -0.219 1.00 0.00 C ATOM 1190 O GLU A 79 1.805 -4.425 -1.097 1.00 0.00 O ATOM 1191 CB GLU A 79 1.683 -5.218 1.679 1.00 0.00 C ATOM 1192 CG GLU A 79 3.189 -5.419 1.767 1.00 0.00 C ATOM 1193 CD GLU A 79 3.573 -6.708 2.475 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.364 -7.804 1.904 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.095 -6.630 3.608 1.00 0.00 O ATOM 0 H GLU A 79 -0.647 -4.611 0.826 1.00 0.00 H new ATOM 0 HA GLU A 79 1.645 -3.091 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.249 -5.375 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.264 -5.980 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.609 -5.424 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.633 -4.575 2.294 1.00 0.00 H new ATOM 1202 N LEU A 80 2.288 -2.330 -0.426 1.00 0.00 N ATOM 1203 CA LEU A 80 2.865 -1.929 -1.700 1.00 0.00 C ATOM 1204 C LEU A 80 4.359 -2.208 -1.710 1.00 0.00 C ATOM 1205 O LEU A 80 5.115 -1.636 -0.922 1.00 0.00 O ATOM 1206 CB LEU A 80 2.606 -0.442 -1.970 1.00 0.00 C ATOM 1207 CG LEU A 80 3.250 0.116 -3.243 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.699 -0.576 -4.479 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.032 1.615 -3.327 1.00 0.00 C ATOM 0 H LEU A 80 2.268 -1.591 0.277 1.00 0.00 H new ATOM 0 HA LEU A 80 2.389 -2.511 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.529 -0.283 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.968 0.133 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 80 4.322 -0.079 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.172 -0.162 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.907 -1.644 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.622 -0.419 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.494 2.000 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.963 1.827 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.482 2.097 -2.459 1.00 0.00 H new ATOM 1221 N THR A 81 4.774 -3.101 -2.587 1.00 0.00 N ATOM 1222 CA THR A 81 6.176 -3.442 -2.722 1.00 0.00 C ATOM 1223 C THR A 81 6.575 -3.433 -4.191 1.00 0.00 C ATOM 1224 O THR A 81 5.805 -3.001 -5.051 1.00 0.00 O ATOM 1225 CB THR A 81 6.467 -4.835 -2.130 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.590 -5.801 -2.721 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.295 -4.841 -0.617 1.00 0.00 C ATOM 0 H THR A 81 4.155 -3.607 -3.221 1.00 0.00 H new ATOM 0 HA THR A 81 6.756 -2.699 -2.175 1.00 0.00 H new ATOM 0 HB THR A 81 7.503 -5.090 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.777 -6.686 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.507 -5.838 -0.231 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.983 -4.124 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.271 -4.565 -0.366 1.00 0.00 H new ATOM 1235 N GLU A 82 7.777 -3.917 -4.478 1.00 0.00 N ATOM 1236 CA GLU A 82 8.233 -4.071 -5.854 1.00 0.00 C ATOM 1237 C GLU A 82 7.630 -5.327 -6.479 1.00 0.00 C ATOM 1238 O GLU A 82 7.839 -5.618 -7.656 1.00 0.00 O ATOM 1239 CB GLU A 82 9.764 -4.110 -5.906 1.00 0.00 C ATOM 1240 CG GLU A 82 10.397 -5.000 -4.846 1.00 0.00 C ATOM 1241 CD GLU A 82 11.905 -4.871 -4.810 1.00 0.00 C ATOM 1242 OE1 GLU A 82 12.404 -3.735 -4.670 1.00 0.00 O ATOM 1243 OE2 GLU A 82 12.602 -5.901 -4.908 1.00 0.00 O ATOM 0 H GLU A 82 8.455 -4.210 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 82 7.896 -3.212 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.075 -4.458 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.147 -3.096 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.990 -4.742 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.128 -6.038 -5.040 1.00 0.00 H new ATOM 1250 N ALA A 83 6.874 -6.067 -5.679 1.00 0.00 N ATOM 1251 CA ALA A 83 6.149 -7.227 -6.169 1.00 0.00 C ATOM 1252 C ALA A 83 4.718 -6.841 -6.522 1.00 0.00 C ATOM 1253 O ALA A 83 3.964 -7.640 -7.074 1.00 0.00 O ATOM 1254 CB ALA A 83 6.164 -8.343 -5.135 1.00 0.00 C ATOM 0 H ALA A 83 6.748 -5.882 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 83 6.643 -7.592 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.616 -9.203 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.194 -8.632 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.693 -7.994 -4.216 1.00 0.00 H new ATOM 1260 N GLY A 84 4.357 -5.606 -6.200 1.00 0.00 N ATOM 1261 CA GLY A 84 3.026 -5.118 -6.497 1.00 0.00 C ATOM 1262 C GLY A 84 2.248 -4.764 -5.246 1.00 0.00 C ATOM 1263 O GLY A 84 2.836 -4.482 -4.198 1.00 0.00 O ATOM 0 H GLY A 84 4.966 -4.931 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.099 -4.239 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.481 -5.877 -7.058 1.00 0.00 H new ATOM 1267 N LEU A 85 0.928 -4.774 -5.363 1.00 0.00 N ATOM 1268 CA LEU A 85 0.047 -4.473 -4.249 1.00 0.00 C ATOM 1269 C LEU A 85 -0.588 -5.754 -3.732 1.00 0.00 C ATOM 1270 O LEU A 85 -1.050 -6.594 -4.512 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.053 -3.483 -4.655 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.581 -2.082 -5.056 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.038 -2.073 -6.477 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.719 -1.084 -4.918 1.00 0.00 C ATOM 0 H LEU A 85 0.440 -4.991 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 85 0.646 -4.013 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.609 -3.910 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.751 -3.385 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 85 0.227 -1.791 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.290 -1.066 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.806 -2.759 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.820 -2.388 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.370 -0.092 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.544 -1.381 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.060 -1.062 -3.883 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.604 -5.892 -2.419 1.00 0.00 N ATOM 1287 CA LYS A 86 -1.104 -7.093 -1.766 1.00 0.00 C ATOM 1288 C LYS A 86 -1.897 -6.719 -0.516 1.00 0.00 C ATOM 1289 O LYS A 86 -1.345 -6.153 0.424 1.00 0.00 O ATOM 1290 CB LYS A 86 0.103 -7.963 -1.410 1.00 0.00 C ATOM 1291 CG LYS A 86 -0.151 -9.062 -0.393 1.00 0.00 C ATOM 1292 CD LYS A 86 1.168 -9.522 0.201 1.00 0.00 C ATOM 1293 CE LYS A 86 0.986 -10.289 1.495 1.00 0.00 C ATOM 1294 NZ LYS A 86 2.270 -10.406 2.230 1.00 0.00 N ATOM 0 H LYS A 86 -0.271 -5.176 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.775 -7.642 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.480 -8.421 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.893 -7.316 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.809 -8.696 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.659 -9.901 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.688 -10.152 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.803 -8.655 0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.250 -9.784 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.594 -11.283 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.080 -10.635 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.846 -11.161 1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.785 -9.504 2.174 1.00 0.00 H new ATOM 1308 N VAL A 87 -3.192 -7.015 -0.506 1.00 0.00 N ATOM 1309 CA VAL A 87 -4.029 -6.670 0.636 1.00 0.00 C ATOM 1310 C VAL A 87 -3.711 -7.572 1.830 1.00 0.00 C ATOM 1311 O VAL A 87 -3.844 -8.797 1.762 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.544 -6.717 0.300 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -5.944 -8.055 -0.297 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -6.380 -6.414 1.537 1.00 0.00 C ATOM 0 H VAL A 87 -3.680 -7.488 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.796 -5.639 0.900 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.737 -5.949 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.011 -8.050 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.383 -8.226 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.725 -8.851 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.438 -6.452 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.168 -7.153 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.133 -5.420 1.909 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.267 -6.945 2.912 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.827 -7.661 4.103 1.00 0.00 C ATOM 1326 C VAL A 88 -3.749 -7.399 5.289 1.00 0.00 C ATOM 1327 O VAL A 88 -3.459 -7.807 6.409 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.383 -7.267 4.493 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.391 -7.773 3.463 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.261 -5.758 4.653 1.00 0.00 C ATOM 0 H VAL A 88 -3.202 -5.930 2.989 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.858 -8.722 3.857 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.152 -7.734 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.618 -7.485 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.454 -8.859 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.623 -7.339 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.237 -5.503 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.517 -5.271 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.941 -5.419 5.434 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.858 -6.719 5.044 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.798 -6.454 6.115 1.00 0.00 C ATOM 1342 C GLY A 89 -7.063 -5.783 5.633 1.00 0.00 C ATOM 1343 O GLY A 89 -7.067 -5.134 4.587 1.00 0.00 O ATOM 0 H GLY A 89 -5.124 -6.348 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.055 -7.392 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.320 -5.822 6.864 1.00 0.00 H new ATOM 1347 N TYR A 90 -8.133 -5.946 6.399 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.415 -5.325 6.086 1.00 0.00 C ATOM 1349 C TYR A 90 -9.890 -4.486 7.260 1.00 0.00 C ATOM 1350 O TYR A 90 -11.072 -4.458 7.604 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.465 -6.370 5.691 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.366 -7.679 6.442 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.842 -7.804 7.738 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.801 -8.792 5.838 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.756 -9.006 8.412 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.710 -9.995 6.502 1.00 0.00 C ATOM 1357 CZ TYR A 90 -10.188 -10.099 7.790 1.00 0.00 C ATOM 1358 OH TYR A 90 -10.103 -11.300 8.458 1.00 0.00 O ATOM 0 H TYR A 90 -8.139 -6.508 7.250 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.275 -4.671 5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.457 -5.948 5.853 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.374 -6.571 4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.286 -6.950 8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.425 -8.714 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.131 -9.090 9.421 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.267 -10.852 6.016 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.678 -11.967 7.879 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.940 -3.795 7.860 1.00 0.00 N ATOM 1369 CA ALA A 91 -9.216 -2.825 8.899 1.00 0.00 C ATOM 1370 C ALA A 91 -8.306 -1.624 8.691 1.00 0.00 C ATOM 1371 O ALA A 91 -7.565 -1.572 7.709 1.00 0.00 O ATOM 1372 CB ALA A 91 -9.008 -3.438 10.275 1.00 0.00 C ATOM 0 H ALA A 91 -7.949 -3.892 7.638 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.257 -2.506 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.221 -2.693 11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.679 -4.288 10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.975 -3.773 10.372 1.00 0.00 H new ATOM 1378 N PHE A 92 -8.348 -0.666 9.597 1.00 0.00 N ATOM 1379 CA PHE A 92 -7.496 0.503 9.482 1.00 0.00 C ATOM 1380 C PHE A 92 -6.241 0.293 10.321 1.00 0.00 C ATOM 1381 O PHE A 92 -6.317 0.237 11.549 1.00 0.00 O ATOM 1382 CB PHE A 92 -8.253 1.754 9.931 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.685 3.043 9.400 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.851 3.389 8.067 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -6.992 3.909 10.228 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -7.339 4.575 7.574 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -6.479 5.098 9.739 1.00 0.00 C ATOM 1388 CZ PHE A 92 -6.650 5.429 8.411 1.00 0.00 C ATOM 0 H PHE A 92 -8.958 -0.673 10.415 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.204 0.644 8.441 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -9.292 1.670 9.613 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.255 1.792 11.020 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.387 2.724 7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.850 3.654 11.268 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.478 4.833 6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.945 5.767 10.398 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.246 6.354 8.027 1.00 0.00 H new ATOM 1398 N ASP A 93 -5.104 0.137 9.641 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.820 -0.154 10.291 1.00 0.00 C ATOM 1400 C ASP A 93 -3.862 -1.515 10.977 1.00 0.00 C ATOM 1401 O ASP A 93 -3.585 -1.633 12.171 1.00 0.00 O ATOM 1402 CB ASP A 93 -3.430 0.931 11.307 1.00 0.00 C ATOM 1403 CG ASP A 93 -2.992 2.228 10.656 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -3.867 3.021 10.255 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -1.768 2.468 10.556 1.00 0.00 O ATOM 0 H ASP A 93 -5.045 0.208 8.625 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.061 -0.168 9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.279 1.129 11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.623 0.557 11.936 1.00 0.00 H new ATOM 1410 N GLN A 94 -4.208 -2.545 10.214 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.274 -3.898 10.746 1.00 0.00 C ATOM 1412 C GLN A 94 -3.790 -4.897 9.705 1.00 0.00 C ATOM 1413 O GLN A 94 -4.501 -5.210 8.751 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.700 -4.253 11.179 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.783 -5.521 12.025 1.00 0.00 C ATOM 1416 CD GLN A 94 -7.182 -5.793 12.549 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -7.564 -5.313 13.616 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -7.948 -6.589 11.818 1.00 0.00 N ATOM 0 H GLN A 94 -4.447 -2.468 9.225 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.626 -3.945 11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.117 -3.420 11.745 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.320 -4.377 10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.452 -6.371 11.429 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.096 -5.435 12.867 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.597 -6.968 10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.889 -6.823 12.135 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.575 -5.375 9.892 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.987 -6.351 8.992 1.00 0.00 C ATOM 1429 C VAL A 95 -2.111 -7.745 9.590 1.00 0.00 C ATOM 1430 O VAL A 95 -1.578 -8.021 10.665 1.00 0.00 O ATOM 1431 CB VAL A 95 -0.512 -6.008 8.704 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.175 -7.105 7.912 1.00 0.00 C ATOM 1433 CG2 VAL A 95 -0.434 -4.698 7.947 1.00 0.00 C ATOM 0 H VAL A 95 -1.970 -5.101 10.666 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.526 -6.327 8.045 1.00 0.00 H new ATOM 0 HB VAL A 95 0.006 -5.916 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.213 -6.826 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.144 -8.036 8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.337 -7.242 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.609 -4.457 7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.975 -4.789 7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.880 -3.904 8.546 1.00 0.00 H new ATOM 1443 N ASP A 96 -2.831 -8.608 8.894 1.00 0.00 N ATOM 1444 CA ASP A 96 -3.177 -9.918 9.419 1.00 0.00 C ATOM 1445 C ASP A 96 -2.475 -11.026 8.643 1.00 0.00 C ATOM 1446 O ASP A 96 -2.299 -10.937 7.428 1.00 0.00 O ATOM 1447 CB ASP A 96 -4.692 -10.114 9.364 1.00 0.00 C ATOM 1448 CG ASP A 96 -5.137 -11.417 9.990 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -5.152 -11.509 11.235 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -5.484 -12.349 9.243 1.00 0.00 O ATOM 0 H ASP A 96 -3.190 -8.423 7.957 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.843 -9.971 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.180 -9.285 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.020 -10.084 8.325 1.00 0.00 H new ATOM 1455 N ASP A 97 -2.100 -12.072 9.366 1.00 0.00 N ATOM 1456 CA ASP A 97 -1.358 -13.203 8.812 1.00 0.00 C ATOM 1457 C ASP A 97 -2.215 -14.051 7.872 1.00 0.00 C ATOM 1458 O ASP A 97 -1.696 -14.774 7.019 1.00 0.00 O ATOM 1459 CB ASP A 97 -0.832 -14.064 9.968 1.00 0.00 C ATOM 1460 CG ASP A 97 -0.330 -15.428 9.530 1.00 0.00 C ATOM 1461 OD1 ASP A 97 0.860 -15.542 9.164 1.00 0.00 O ATOM 1462 OD2 ASP A 97 -1.119 -16.395 9.574 1.00 0.00 O ATOM 0 H ASP A 97 -2.302 -12.163 10.362 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.530 -12.812 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.023 -13.531 10.468 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.627 -14.197 10.702 1.00 0.00 H new ATOM 1467 N HIS A 98 -3.530 -13.951 8.006 1.00 0.00 N ATOM 1468 CA HIS A 98 -4.428 -14.815 7.255 1.00 0.00 C ATOM 1469 C HIS A 98 -4.680 -14.262 5.852 1.00 0.00 C ATOM 1470 O HIS A 98 -5.293 -14.928 5.015 1.00 0.00 O ATOM 1471 CB HIS A 98 -5.747 -15.000 8.016 1.00 0.00 C ATOM 1472 CG HIS A 98 -6.633 -16.069 7.459 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -7.991 -15.910 7.279 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -6.345 -17.327 7.053 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -8.497 -17.026 6.787 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -7.519 -17.898 6.640 1.00 0.00 N ATOM 0 H HIS A 98 -3.996 -13.285 8.623 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.952 -15.790 7.145 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.523 -15.235 9.056 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.291 -14.055 8.013 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.371 -17.794 7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -9.536 -17.196 6.546 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.621 -18.846 6.277 1.00 0.00 H new ATOM 1485 N LEU A 99 -4.213 -13.047 5.583 1.00 0.00 N ATOM 1486 CA LEU A 99 -4.361 -12.482 4.249 1.00 0.00 C ATOM 1487 C LEU A 99 -3.124 -12.716 3.401 1.00 0.00 C ATOM 1488 O LEU A 99 -2.186 -11.919 3.403 1.00 0.00 O ATOM 1489 CB LEU A 99 -4.687 -10.990 4.275 1.00 0.00 C ATOM 1490 CG LEU A 99 -6.095 -10.639 4.750 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -6.096 -10.324 6.236 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -6.651 -9.478 3.944 1.00 0.00 C ATOM 0 H LEU A 99 -3.738 -12.446 6.257 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.206 -13.004 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.967 -10.489 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.549 -10.587 3.272 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.741 -11.502 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.109 -10.076 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.743 -11.192 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.438 -9.477 6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.655 -9.240 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.007 -8.607 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.690 -9.753 2.890 1.00 0.00 H new ATOM 1504 N GLN A 100 -3.127 -13.826 2.688 1.00 0.00 N ATOM 1505 CA GLN A 100 -2.106 -14.098 1.693 1.00 0.00 C ATOM 1506 C GLN A 100 -2.743 -14.084 0.308 1.00 0.00 C ATOM 1507 O GLN A 100 -3.012 -15.125 -0.297 1.00 0.00 O ATOM 1508 CB GLN A 100 -1.388 -15.421 1.986 1.00 0.00 C ATOM 1509 CG GLN A 100 -2.317 -16.600 2.238 1.00 0.00 C ATOM 1510 CD GLN A 100 -1.566 -17.832 2.705 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -0.537 -17.727 3.371 1.00 0.00 O ATOM 1512 NE2 GLN A 100 -2.070 -19.006 2.358 1.00 0.00 N ATOM 0 H GLN A 100 -3.830 -14.559 2.780 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.343 -13.320 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.737 -15.661 1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.747 -15.287 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.058 -16.323 2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.861 -16.834 1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.926 -19.050 1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.602 -19.866 2.644 1.00 0.00 H new ATOM 1521 N THR A 101 -3.016 -12.877 -0.159 1.00 0.00 N ATOM 1522 CA THR A 101 -3.782 -12.664 -1.373 1.00 0.00 C ATOM 1523 C THR A 101 -2.897 -12.608 -2.621 1.00 0.00 C ATOM 1524 O THR A 101 -1.685 -12.403 -2.524 1.00 0.00 O ATOM 1525 CB THR A 101 -4.590 -11.361 -1.250 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.749 -10.316 -0.732 1.00 0.00 O ATOM 1527 CG2 THR A 101 -5.792 -11.556 -0.338 1.00 0.00 C ATOM 0 H THR A 101 -2.711 -12.016 0.295 1.00 0.00 H new ATOM 0 HA THR A 101 -4.453 -13.515 -1.490 1.00 0.00 H new ATOM 0 HB THR A 101 -4.950 -11.081 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.002 -10.122 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.349 -10.622 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.438 -12.333 -0.748 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.452 -11.853 0.654 1.00 0.00 H new ATOM 1535 N PRO A 102 -3.498 -12.815 -3.808 1.00 0.00 N ATOM 1536 CA PRO A 102 -2.780 -12.738 -5.083 1.00 0.00 C ATOM 1537 C PRO A 102 -2.231 -11.337 -5.355 1.00 0.00 C ATOM 1538 O PRO A 102 -2.969 -10.349 -5.348 1.00 0.00 O ATOM 1539 CB PRO A 102 -3.837 -13.119 -6.127 1.00 0.00 C ATOM 1540 CG PRO A 102 -5.147 -12.877 -5.459 1.00 0.00 C ATOM 1541 CD PRO A 102 -4.921 -13.147 -4.001 1.00 0.00 C ATOM 0 HA PRO A 102 -1.908 -13.392 -5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.737 -12.515 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.735 -14.161 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.484 -11.853 -5.619 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.918 -13.533 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.566 -12.531 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.129 -14.187 -3.748 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.931 -11.269 -5.581 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.243 -10.007 -5.823 1.00 0.00 C ATOM 1551 C TYR A 103 -0.589 -9.455 -7.207 1.00 0.00 C ATOM 1552 O TYR A 103 -0.523 -10.175 -8.205 1.00 0.00 O ATOM 1553 CB TYR A 103 1.268 -10.224 -5.718 1.00 0.00 C ATOM 1554 CG TYR A 103 1.669 -11.150 -4.587 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.911 -10.664 -3.310 1.00 0.00 C ATOM 1556 CD2 TYR A 103 1.794 -12.521 -4.800 1.00 0.00 C ATOM 1557 CE1 TYR A 103 2.266 -11.514 -2.277 1.00 0.00 C ATOM 1558 CE2 TYR A 103 2.146 -13.375 -3.773 1.00 0.00 C ATOM 1559 CZ TYR A 103 2.381 -12.869 -2.515 1.00 0.00 C ATOM 1560 OH TYR A 103 2.729 -13.721 -1.489 1.00 0.00 O ATOM 0 H TYR A 103 -0.320 -12.085 -5.603 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.566 -9.284 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.634 -10.633 -6.659 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.757 -9.260 -5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.821 -9.605 -3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.612 -12.923 -5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.452 -11.119 -1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.236 -14.435 -3.957 1.00 0.00 H new ATOM 0 HH TYR A 103 2.765 -14.641 -1.825 1.00 0.00 H new ATOM 1570 N HIS A 104 -0.970 -8.184 -7.259 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.267 -7.520 -8.528 1.00 0.00 C ATOM 1572 C HIS A 104 -0.281 -6.385 -8.757 1.00 0.00 C ATOM 1573 O HIS A 104 0.115 -5.714 -7.813 1.00 0.00 O ATOM 1574 CB HIS A 104 -2.698 -6.967 -8.546 1.00 0.00 C ATOM 1575 CG HIS A 104 -3.763 -8.012 -8.689 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.907 -7.825 -9.435 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -3.857 -9.259 -8.176 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.653 -8.909 -9.374 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.040 -9.800 -8.616 1.00 0.00 N ATOM 0 H HIS A 104 -1.081 -7.590 -6.437 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.175 -8.258 -9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.872 -6.412 -7.624 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -2.790 -6.257 -9.368 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -3.133 -9.742 -7.536 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.607 -9.046 -9.862 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -5.387 -10.733 -8.395 1.00 0.00 H new ATOM 1588 N GLU A 105 0.099 -6.160 -10.003 1.00 0.00 N ATOM 1589 CA GLU A 105 1.106 -5.149 -10.316 1.00 0.00 C ATOM 1590 C GLU A 105 0.539 -3.743 -10.201 1.00 0.00 C ATOM 1591 O GLU A 105 1.171 -2.845 -9.641 1.00 0.00 O ATOM 1592 CB GLU A 105 1.658 -5.346 -11.726 1.00 0.00 C ATOM 1593 CG GLU A 105 2.541 -6.568 -11.877 1.00 0.00 C ATOM 1594 CD GLU A 105 3.226 -6.615 -13.224 1.00 0.00 C ATOM 1595 OE1 GLU A 105 4.264 -5.940 -13.392 1.00 0.00 O ATOM 1596 OE2 GLU A 105 2.730 -7.321 -14.121 1.00 0.00 O ATOM 0 H GLU A 105 -0.269 -6.658 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 105 1.910 -5.268 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.824 -5.424 -12.424 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.228 -4.461 -12.009 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.293 -6.570 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.939 -7.467 -11.746 1.00 0.00 H new ATOM 1603 N THR A 106 -0.650 -3.557 -10.736 1.00 0.00 N ATOM 1604 CA THR A 106 -1.246 -2.242 -10.805 1.00 0.00 C ATOM 1605 C THR A 106 -2.386 -2.097 -9.805 1.00 0.00 C ATOM 1606 O THR A 106 -3.182 -3.021 -9.613 1.00 0.00 O ATOM 1607 CB THR A 106 -1.762 -1.958 -12.226 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.742 -2.936 -12.595 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.614 -1.981 -13.224 1.00 0.00 C ATOM 0 H THR A 106 -1.223 -4.303 -11.130 1.00 0.00 H new ATOM 0 HA THR A 106 -0.473 -1.517 -10.552 1.00 0.00 H new ATOM 0 HB THR A 106 -2.218 -0.968 -12.238 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.085 -3.376 -11.789 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.997 -1.778 -14.224 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.118 -1.219 -12.954 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.139 -2.962 -13.210 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.447 -0.940 -9.157 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.545 -0.622 -8.255 1.00 0.00 C ATOM 1619 C VAL A 107 -4.867 -0.608 -9.020 1.00 0.00 C ATOM 1620 O VAL A 107 -5.927 -0.870 -8.457 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.326 0.739 -7.547 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.225 1.877 -8.554 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.435 1.008 -6.537 1.00 0.00 C ATOM 0 H VAL A 107 -1.745 -0.204 -9.241 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.580 -1.396 -7.488 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.379 0.685 -7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.072 2.818 -8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.385 1.696 -9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.146 1.933 -9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.261 1.969 -6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.397 1.030 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.442 0.218 -5.786 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.778 -0.337 -10.319 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.946 -0.301 -11.187 1.00 0.00 C ATOM 1635 C TYR A 108 -6.650 -1.654 -11.184 1.00 0.00 C ATOM 1636 O TYR A 108 -7.819 -1.762 -10.801 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.527 0.067 -12.616 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.840 1.410 -12.730 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -3.479 1.545 -12.484 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -5.555 2.547 -13.072 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -2.854 2.773 -12.578 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -4.941 3.777 -13.172 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.591 3.887 -12.919 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.981 5.117 -13.003 1.00 0.00 O ATOM 0 H TYR A 108 -3.898 -0.138 -10.795 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.636 0.455 -10.812 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.859 -0.705 -12.998 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.411 0.067 -13.254 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.900 0.674 -12.215 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -6.615 2.468 -13.264 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.795 2.860 -12.386 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.515 4.650 -13.447 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.543 5.791 -12.568 1.00 0.00 H new ATOM 1654 N SER A 109 -5.913 -2.693 -11.562 1.00 0.00 N ATOM 1655 CA SER A 109 -6.472 -4.033 -11.671 1.00 0.00 C ATOM 1656 C SER A 109 -6.703 -4.660 -10.294 1.00 0.00 C ATOM 1657 O SER A 109 -7.220 -5.769 -10.188 1.00 0.00 O ATOM 1658 CB SER A 109 -5.540 -4.919 -12.498 1.00 0.00 C ATOM 1659 OG SER A 109 -5.180 -4.284 -13.714 1.00 0.00 O ATOM 0 H SER A 109 -4.923 -2.631 -11.799 1.00 0.00 H new ATOM 0 HA SER A 109 -7.439 -3.954 -12.168 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.642 -5.145 -11.922 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.030 -5.869 -12.711 1.00 0.00 H new ATOM 0 HG SER A 109 -4.357 -3.769 -13.583 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.303 -3.961 -9.239 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.537 -4.443 -7.887 1.00 0.00 C ATOM 1667 C LEU A 110 -7.805 -3.826 -7.304 1.00 0.00 C ATOM 1668 O LEU A 110 -8.704 -4.535 -6.855 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.349 -4.124 -6.983 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.536 -4.536 -5.522 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.537 -6.053 -5.385 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.462 -3.917 -4.646 1.00 0.00 C ATOM 0 H LEU A 110 -5.819 -3.065 -9.294 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.661 -5.525 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.464 -4.623 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.155 -3.052 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.504 -4.164 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.671 -6.324 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.352 -6.471 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.588 -6.451 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.615 -4.224 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.481 -4.251 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.518 -2.831 -4.714 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.876 -2.501 -7.331 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.986 -1.778 -6.724 1.00 0.00 C ATOM 1686 C LEU A 111 -10.273 -1.989 -7.515 1.00 0.00 C ATOM 1687 O LEU A 111 -11.372 -1.856 -6.975 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.657 -0.284 -6.642 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.665 0.577 -5.875 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.765 0.122 -4.427 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.270 2.043 -5.945 1.00 0.00 C ATOM 0 H LEU A 111 -7.175 -1.903 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.138 -2.167 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.680 -0.171 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.571 0.106 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.644 0.458 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.486 0.746 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.091 -0.917 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.789 0.211 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.996 2.642 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.282 2.175 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.248 2.365 -6.986 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.126 -2.378 -8.775 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.276 -2.572 -9.660 1.00 0.00 C ATOM 1705 C ASP A 112 -11.926 -3.894 -9.311 1.00 0.00 C ATOM 1706 O ASP A 112 -13.112 -4.134 -9.553 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.834 -2.561 -11.125 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.980 -2.793 -12.088 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.839 -1.899 -12.221 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -12.010 -3.865 -12.733 1.00 0.00 O ATOM 0 H ASP A 112 -9.223 -2.566 -9.211 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.990 -1.760 -9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.365 -1.603 -11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.077 -3.330 -11.277 1.00 0.00 H new ATOM 1715 N THR A 113 -11.105 -4.739 -8.727 1.00 0.00 N ATOM 1716 CA THR A 113 -11.519 -6.008 -8.186 1.00 0.00 C ATOM 1717 C THR A 113 -12.168 -5.823 -6.807 1.00 0.00 C ATOM 1718 O THR A 113 -13.046 -6.593 -6.407 1.00 0.00 O ATOM 1719 CB THR A 113 -10.278 -6.923 -8.099 1.00 0.00 C ATOM 1720 OG1 THR A 113 -10.051 -7.563 -9.357 1.00 0.00 O ATOM 1721 CG2 THR A 113 -10.401 -7.953 -7.004 1.00 0.00 C ATOM 0 H THR A 113 -10.108 -4.555 -8.614 1.00 0.00 H new ATOM 0 HA THR A 113 -12.267 -6.466 -8.834 1.00 0.00 H new ATOM 0 HB THR A 113 -9.425 -6.291 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.261 -8.140 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.504 -8.571 -6.984 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.517 -7.451 -6.044 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.271 -8.582 -7.192 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.762 -4.769 -6.105 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.240 -4.522 -4.750 1.00 0.00 C ATOM 1731 C LEU A 114 -13.580 -3.798 -4.763 1.00 0.00 C ATOM 1732 O LEU A 114 -14.547 -4.256 -4.154 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.216 -3.698 -3.965 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.849 -4.364 -3.779 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.900 -3.440 -3.030 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -9.995 -5.688 -3.042 1.00 0.00 C ATOM 0 H LEU A 114 -11.103 -4.073 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.374 -5.488 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.072 -2.745 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.630 -3.474 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.429 -4.563 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.935 -3.931 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.769 -2.517 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.316 -3.209 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.014 -6.146 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.438 -5.512 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.638 -6.355 -3.616 1.00 0.00 H new ATOM 1748 N SER A 115 -13.643 -2.681 -5.469 1.00 0.00 N ATOM 1749 CA SER A 115 -14.842 -1.865 -5.481 1.00 0.00 C ATOM 1750 C SER A 115 -15.352 -1.683 -6.906 1.00 0.00 C ATOM 1751 O SER A 115 -14.667 -1.108 -7.751 1.00 0.00 O ATOM 1752 CB SER A 115 -14.564 -0.502 -4.836 1.00 0.00 C ATOM 1753 OG SER A 115 -15.762 0.238 -4.657 1.00 0.00 O ATOM 0 H SER A 115 -12.878 -2.321 -6.040 1.00 0.00 H new ATOM 0 HA SER A 115 -15.612 -2.375 -4.902 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.076 -0.646 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.874 0.065 -5.461 1.00 0.00 H new ATOM 0 HG SER A 115 -15.554 1.101 -4.242 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.565 -2.189 -7.192 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.220 -2.017 -8.496 1.00 0.00 C ATOM 1761 C PRO A 116 -17.431 -0.546 -8.852 1.00 0.00 C ATOM 1762 O PRO A 116 -17.572 -0.194 -10.028 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.571 -2.719 -8.322 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.380 -3.651 -7.178 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.381 -2.993 -6.270 1.00 0.00 C ATOM 0 HA PRO A 116 -16.615 -2.425 -9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.365 -2.001 -8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.855 -3.258 -9.226 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.322 -3.829 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -18.017 -4.620 -7.521 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.868 -2.372 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.778 -3.727 -5.735 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.431 0.312 -7.833 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.619 1.747 -8.022 1.00 0.00 C ATOM 1775 C ALA A 117 -16.418 2.366 -8.730 1.00 0.00 C ATOM 1776 O ALA A 117 -16.462 3.520 -9.163 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.851 2.423 -6.678 1.00 0.00 C ATOM 0 H ALA A 117 -17.302 0.033 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.496 1.900 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.990 3.494 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.741 2.004 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.988 2.256 -6.033 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.349 1.587 -8.842 1.00 0.00 N ATOM 1784 CA TYR A 118 -14.149 2.003 -9.554 1.00 0.00 C ATOM 1785 C TYR A 118 -14.481 2.362 -11.000 1.00 0.00 C ATOM 1786 O TYR A 118 -14.003 3.362 -11.533 1.00 0.00 O ATOM 1787 CB TYR A 118 -13.121 0.871 -9.513 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.780 1.233 -10.094 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.788 1.781 -9.297 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.507 1.020 -11.436 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.557 2.111 -9.821 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.278 1.348 -11.969 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.308 1.891 -11.157 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.084 2.219 -11.681 1.00 0.00 O ATOM 0 H TYR A 118 -15.290 0.651 -8.442 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.735 2.888 -9.071 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.983 0.558 -8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.520 0.014 -10.055 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.983 1.952 -8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.267 0.591 -12.073 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.793 2.539 -9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.078 1.180 -13.017 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.516 2.594 -10.976 1.00 0.00 H new ATOM 1804 N ARG A 119 -15.326 1.545 -11.613 1.00 0.00 N ATOM 1805 CA ARG A 119 -15.736 1.747 -12.997 1.00 0.00 C ATOM 1806 C ARG A 119 -16.536 3.038 -13.152 1.00 0.00 C ATOM 1807 O ARG A 119 -16.469 3.700 -14.189 1.00 0.00 O ATOM 1808 CB ARG A 119 -16.568 0.558 -13.470 1.00 0.00 C ATOM 1809 CG ARG A 119 -15.763 -0.715 -13.665 1.00 0.00 C ATOM 1810 CD ARG A 119 -16.659 -1.938 -13.626 1.00 0.00 C ATOM 1811 NE ARG A 119 -15.965 -3.158 -14.045 1.00 0.00 N ATOM 1812 CZ ARG A 119 -15.337 -3.990 -13.213 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -15.233 -3.700 -11.922 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -14.798 -5.109 -13.681 1.00 0.00 N ATOM 0 H ARG A 119 -15.745 0.728 -11.169 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.838 1.829 -13.610 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.359 0.369 -12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -17.053 0.818 -14.411 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -15.238 -0.675 -14.620 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -15.003 -0.792 -12.887 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -17.042 -2.071 -12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -17.520 -1.774 -14.274 1.00 0.00 H new ATOM 0 HE ARG A 119 -15.962 -3.386 -15.039 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -15.635 -2.835 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -14.751 -4.342 -11.292 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -14.865 -5.331 -14.674 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.317 -5.747 -13.047 1.00 0.00 H new ATOM 1828 N GLU A 120 -17.285 3.396 -12.113 1.00 0.00 N ATOM 1829 CA GLU A 120 -18.074 4.620 -12.132 1.00 0.00 C ATOM 1830 C GLU A 120 -17.146 5.827 -12.134 1.00 0.00 C ATOM 1831 O GLU A 120 -17.342 6.780 -12.890 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.010 4.679 -10.922 1.00 0.00 C ATOM 1833 CG GLU A 120 -19.942 5.879 -10.932 1.00 0.00 C ATOM 1834 CD GLU A 120 -20.842 5.931 -9.717 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -21.749 5.079 -9.610 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -20.662 6.837 -8.877 1.00 0.00 O ATOM 0 H GLU A 120 -17.361 2.857 -11.251 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.683 4.630 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -19.606 3.767 -10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.412 4.702 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -19.350 6.793 -10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -20.556 5.849 -11.832 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.119 5.763 -11.292 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.120 6.819 -11.217 1.00 0.00 C ATOM 1845 C ALA A 121 -14.354 6.925 -12.532 1.00 0.00 C ATOM 1846 O ALA A 121 -14.001 8.019 -12.970 1.00 0.00 O ATOM 1847 CB ALA A 121 -14.161 6.558 -10.066 1.00 0.00 C ATOM 0 H ALA A 121 -15.958 4.987 -10.650 1.00 0.00 H new ATOM 0 HA ALA A 121 -15.630 7.765 -11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -13.420 7.356 -10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -14.717 6.527 -9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -13.658 5.603 -10.221 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.109 5.780 -13.156 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.431 5.734 -14.444 1.00 0.00 C ATOM 1855 C PHE A 122 -14.261 6.452 -15.507 1.00 0.00 C ATOM 1856 O PHE A 122 -13.748 7.295 -16.248 1.00 0.00 O ATOM 1857 CB PHE A 122 -13.176 4.277 -14.854 1.00 0.00 C ATOM 1858 CG PHE A 122 -12.417 4.129 -16.141 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -11.066 4.429 -16.200 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -13.055 3.695 -17.292 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -10.365 4.296 -17.384 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -12.359 3.560 -18.479 1.00 0.00 C ATOM 1863 CZ PHE A 122 -11.011 3.863 -18.526 1.00 0.00 C ATOM 0 H PHE A 122 -14.372 4.866 -12.788 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.472 6.244 -14.355 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.623 3.778 -14.058 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -14.133 3.764 -14.947 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.555 4.770 -15.312 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -14.109 3.459 -17.262 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.311 4.531 -17.416 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -12.868 3.218 -19.368 1.00 0.00 H new ATOM 0 HZ PHE A 122 -10.465 3.762 -19.452 1.00 0.00 H new