USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=24 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 -99:sc= 2.18 USER MOD Set 1.2: A 109 SER OG : rot -88:sc= 1.53 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.887 K(o=1.1,f=-1.6!) USER MOD Set 2.2: A 77 CYS SG : rot 54:sc= 2.03 USER MOD Set 3.1: A 74 ASN : amide:sc=-0.00941 K(o=-0.0094,f=-0.6) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 162:sc= -0.142 (180deg=-0.748) USER MOD Single : A 42 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.22 K(o=1.2,f=-0.7) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.129 F(o=-1.3!,f=-0.13) USER MOD Single : A 51 MET CE :methyl -126:sc= 0 (180deg=-1.11) USER MOD Single : A 54 SER OG : rot -140:sc= -0.23 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000553) USER MOD Single : A 56 SER OG : rot -28:sc= 0.478 USER MOD Single : A 59 CYS SG : rot 5:sc= 0.0352 USER MOD Single : A 65 TYR OH : rot 53:sc= 1.29 USER MOD Single : A 70 THR OG1 : rot -70:sc= 1.06 USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 1.35 (180deg=0.847) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 1.03 (180deg=0.96) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.544 K(o=0.54,f=-4.5!) USER MOD Single : A 98 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.46) USER MOD Single : A 101 THR OG1 : rot -146:sc= 0.056 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= 0.442 K(o=0.44,f=-1.5) USER MOD Single : A 108 TYR OH : rot 19:sc= 1.24 USER MOD Single : A 113 THR OG1 : rot -15:sc= 1.18 USER MOD Single : A 115 SER OG : rot -165:sc= 0.288 USER MOD Single : A 118 TYR OH : rot 180:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 11.283 4.797 -5.257 1.00 0.00 N ATOM 439 CA ASP A 32 10.907 4.713 -3.853 1.00 0.00 C ATOM 440 C ASP A 32 9.435 4.353 -3.734 1.00 0.00 C ATOM 441 O ASP A 32 8.581 5.000 -4.342 1.00 0.00 O ATOM 442 CB ASP A 32 11.178 6.039 -3.141 1.00 0.00 C ATOM 443 CG ASP A 32 12.658 6.335 -3.002 1.00 0.00 C ATOM 444 OD1 ASP A 32 13.238 6.932 -3.933 1.00 0.00 O ATOM 445 OD2 ASP A 32 13.247 5.978 -1.961 1.00 0.00 O ATOM 0 HA ASP A 32 11.508 3.937 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.700 6.848 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.722 6.016 -2.151 1.00 0.00 H new ATOM 450 N MET A 33 9.141 3.315 -2.964 1.00 0.00 N ATOM 451 CA MET A 33 7.776 2.825 -2.835 1.00 0.00 C ATOM 452 C MET A 33 6.869 3.880 -2.207 1.00 0.00 C ATOM 453 O MET A 33 5.698 3.980 -2.551 1.00 0.00 O ATOM 454 CB MET A 33 7.749 1.546 -1.999 1.00 0.00 C ATOM 455 CG MET A 33 6.605 0.613 -2.351 1.00 0.00 C ATOM 456 SD MET A 33 6.673 0.054 -4.066 1.00 0.00 S ATOM 457 CE MET A 33 8.296 -0.700 -4.115 1.00 0.00 C ATOM 0 H MET A 33 9.829 2.796 -2.419 1.00 0.00 H new ATOM 0 HA MET A 33 7.402 2.606 -3.835 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.692 1.016 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.678 1.813 -0.945 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.629 -0.252 -1.689 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.658 1.122 -2.175 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.365 -1.360 -4.980 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.056 0.077 -4.190 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.457 -1.277 -3.205 1.00 0.00 H new ATOM 467 N ARG A 34 7.422 4.672 -1.295 1.00 0.00 N ATOM 468 CA ARG A 34 6.661 5.727 -0.635 1.00 0.00 C ATOM 469 C ARG A 34 6.353 6.836 -1.645 1.00 0.00 C ATOM 470 O ARG A 34 5.263 7.404 -1.650 1.00 0.00 O ATOM 471 CB ARG A 34 7.459 6.264 0.563 1.00 0.00 C ATOM 472 CG ARG A 34 6.620 6.847 1.700 1.00 0.00 C ATOM 473 CD ARG A 34 6.053 8.222 1.374 1.00 0.00 C ATOM 474 NE ARG A 34 4.637 8.167 1.004 1.00 0.00 N ATOM 475 CZ ARG A 34 3.896 9.246 0.737 1.00 0.00 C ATOM 476 NH1 ARG A 34 4.435 10.456 0.793 1.00 0.00 N ATOM 477 NH2 ARG A 34 2.616 9.111 0.400 1.00 0.00 N ATOM 0 H ARG A 34 8.395 4.604 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 34 5.716 5.333 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.070 5.455 0.963 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.143 7.034 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.800 6.166 1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.233 6.916 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.175 8.877 2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.623 8.663 0.556 1.00 0.00 H new ATOM 0 HE ARG A 34 4.191 7.252 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.418 10.565 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.866 11.278 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.198 8.182 0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.052 9.936 0.197 1.00 0.00 H new ATOM 491 N LEU A 35 7.319 7.104 -2.514 1.00 0.00 N ATOM 492 CA LEU A 35 7.160 8.078 -3.589 1.00 0.00 C ATOM 493 C LEU A 35 5.983 7.706 -4.492 1.00 0.00 C ATOM 494 O LEU A 35 5.020 8.470 -4.637 1.00 0.00 O ATOM 495 CB LEU A 35 8.442 8.133 -4.419 1.00 0.00 C ATOM 496 CG LEU A 35 8.373 9.015 -5.660 1.00 0.00 C ATOM 497 CD1 LEU A 35 8.402 10.484 -5.274 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.507 8.684 -6.614 1.00 0.00 C ATOM 0 H LEU A 35 8.234 6.654 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 35 6.961 9.054 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.252 8.490 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.701 7.120 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 35 7.431 8.817 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.352 11.098 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.549 10.709 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.326 10.701 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.441 9.324 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.462 8.850 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.433 7.640 -6.918 1.00 0.00 H new ATOM 510 N GLU A 36 6.066 6.521 -5.087 1.00 0.00 N ATOM 511 CA GLU A 36 5.022 6.031 -5.978 1.00 0.00 C ATOM 512 C GLU A 36 3.700 5.903 -5.234 1.00 0.00 C ATOM 513 O GLU A 36 2.628 6.062 -5.816 1.00 0.00 O ATOM 514 CB GLU A 36 5.426 4.684 -6.576 1.00 0.00 C ATOM 515 CG GLU A 36 6.681 4.754 -7.428 1.00 0.00 C ATOM 516 CD GLU A 36 6.501 5.621 -8.659 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.088 5.084 -9.711 1.00 0.00 O ATOM 518 OE2 GLU A 36 6.777 6.836 -8.586 1.00 0.00 O ATOM 0 H GLU A 36 6.850 5.880 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 36 4.894 6.750 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.584 3.969 -5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.605 4.303 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.502 5.147 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.964 3.747 -7.735 1.00 0.00 H new ATOM 525 N ALA A 37 3.790 5.641 -3.936 1.00 0.00 N ATOM 526 CA ALA A 37 2.610 5.533 -3.092 1.00 0.00 C ATOM 527 C ALA A 37 1.872 6.862 -3.046 1.00 0.00 C ATOM 528 O ALA A 37 0.644 6.903 -3.101 1.00 0.00 O ATOM 529 CB ALA A 37 2.989 5.095 -1.686 1.00 0.00 C ATOM 0 H ALA A 37 4.673 5.499 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 37 1.952 4.777 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.091 5.021 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.481 4.123 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.668 5.826 -1.248 1.00 0.00 H new ATOM 535 N GLU A 38 2.633 7.948 -2.957 1.00 0.00 N ATOM 536 CA GLU A 38 2.063 9.287 -2.934 1.00 0.00 C ATOM 537 C GLU A 38 1.266 9.537 -4.208 1.00 0.00 C ATOM 538 O GLU A 38 0.139 10.040 -4.166 1.00 0.00 O ATOM 539 CB GLU A 38 3.169 10.336 -2.806 1.00 0.00 C ATOM 540 CG GLU A 38 2.656 11.722 -2.459 1.00 0.00 C ATOM 541 CD GLU A 38 2.175 11.812 -1.026 1.00 0.00 C ATOM 542 OE1 GLU A 38 1.113 11.242 -0.707 1.00 0.00 O ATOM 543 OE2 GLU A 38 2.874 12.438 -0.203 1.00 0.00 O ATOM 0 H GLU A 38 3.651 7.924 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 38 1.400 9.366 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.874 10.016 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.721 10.387 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.449 12.452 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.839 11.984 -3.132 1.00 0.00 H new ATOM 550 N ALA A 39 1.860 9.161 -5.335 1.00 0.00 N ATOM 551 CA ALA A 39 1.206 9.308 -6.628 1.00 0.00 C ATOM 552 C ALA A 39 -0.074 8.481 -6.685 1.00 0.00 C ATOM 553 O ALA A 39 -1.125 8.977 -7.085 1.00 0.00 O ATOM 554 CB ALA A 39 2.151 8.904 -7.753 1.00 0.00 C ATOM 0 H ALA A 39 2.793 8.752 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 39 0.940 10.357 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.646 9.020 -8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.036 9.539 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.448 7.863 -7.623 1.00 0.00 H new ATOM 560 N VAL A 40 0.022 7.226 -6.260 1.00 0.00 N ATOM 561 CA VAL A 40 -1.116 6.309 -6.277 1.00 0.00 C ATOM 562 C VAL A 40 -2.287 6.847 -5.452 1.00 0.00 C ATOM 563 O VAL A 40 -3.413 6.937 -5.947 1.00 0.00 O ATOM 564 CB VAL A 40 -0.710 4.915 -5.745 1.00 0.00 C ATOM 565 CG1 VAL A 40 -1.930 4.033 -5.527 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.262 4.245 -6.704 1.00 0.00 C ATOM 0 H VAL A 40 0.883 6.816 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.436 6.219 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.217 5.053 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.613 3.060 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.593 4.503 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.459 3.904 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.539 3.265 -6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.211 4.129 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.156 4.861 -6.805 1.00 0.00 H new ATOM 576 N VAL A 41 -2.006 7.218 -4.206 1.00 0.00 N ATOM 577 CA VAL A 41 -3.045 7.669 -3.279 1.00 0.00 C ATOM 578 C VAL A 41 -3.817 8.866 -3.829 1.00 0.00 C ATOM 579 O VAL A 41 -5.039 8.931 -3.715 1.00 0.00 O ATOM 580 CB VAL A 41 -2.448 8.037 -1.900 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.515 8.602 -0.973 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.788 6.823 -1.268 1.00 0.00 C ATOM 0 H VAL A 41 -1.065 7.216 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.735 6.834 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.693 8.808 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.066 8.852 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.944 9.500 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.299 7.859 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.373 7.098 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.528 6.034 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.989 6.465 -1.917 1.00 0.00 H new ATOM 592 N ASN A 42 -3.106 9.798 -4.443 1.00 0.00 N ATOM 593 CA ASN A 42 -3.731 11.022 -4.938 1.00 0.00 C ATOM 594 C ASN A 42 -4.412 10.804 -6.286 1.00 0.00 C ATOM 595 O ASN A 42 -5.242 11.610 -6.702 1.00 0.00 O ATOM 596 CB ASN A 42 -2.698 12.148 -5.052 1.00 0.00 C ATOM 597 CG ASN A 42 -2.339 12.748 -3.705 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.949 13.722 -3.265 1.00 0.00 O ATOM 599 ND2 ASN A 42 -1.340 12.182 -3.045 1.00 0.00 N ATOM 0 H ASN A 42 -2.102 9.735 -4.612 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.496 11.309 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.796 11.762 -5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.089 12.931 -5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.052 12.553 -2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.858 11.376 -3.442 1.00 0.00 H new ATOM 606 N ASP A 43 -4.075 9.713 -6.956 1.00 0.00 N ATOM 607 CA ASP A 43 -4.606 9.455 -8.290 1.00 0.00 C ATOM 608 C ASP A 43 -5.888 8.628 -8.232 1.00 0.00 C ATOM 609 O ASP A 43 -6.887 8.977 -8.862 1.00 0.00 O ATOM 610 CB ASP A 43 -3.560 8.747 -9.156 1.00 0.00 C ATOM 611 CG ASP A 43 -4.038 8.512 -10.578 1.00 0.00 C ATOM 612 OD1 ASP A 43 -4.041 9.471 -11.381 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.396 7.365 -10.907 1.00 0.00 O ATOM 0 H ASP A 43 -3.441 8.996 -6.604 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.847 10.418 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.648 9.344 -9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.304 7.790 -8.700 1.00 0.00 H new ATOM 618 N VAL A 44 -5.869 7.544 -7.464 1.00 0.00 N ATOM 619 CA VAL A 44 -7.007 6.622 -7.430 1.00 0.00 C ATOM 620 C VAL A 44 -7.974 6.937 -6.290 1.00 0.00 C ATOM 621 O VAL A 44 -8.945 6.209 -6.075 1.00 0.00 O ATOM 622 CB VAL A 44 -6.554 5.150 -7.317 1.00 0.00 C ATOM 623 CG1 VAL A 44 -5.674 4.771 -8.501 1.00 0.00 C ATOM 624 CG2 VAL A 44 -5.831 4.902 -6.001 1.00 0.00 C ATOM 0 H VAL A 44 -5.089 7.281 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.527 6.762 -8.378 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.441 4.517 -7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.364 3.730 -8.405 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.235 4.899 -9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.793 5.412 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.523 3.858 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.952 5.544 -5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.500 5.126 -5.170 1.00 0.00 H new ATOM 634 N LEU A 45 -7.724 8.038 -5.586 1.00 0.00 N ATOM 635 CA LEU A 45 -8.564 8.451 -4.459 1.00 0.00 C ATOM 636 C LEU A 45 -10.026 8.636 -4.877 1.00 0.00 C ATOM 637 O LEU A 45 -10.942 8.443 -4.077 1.00 0.00 O ATOM 638 CB LEU A 45 -8.031 9.759 -3.865 1.00 0.00 C ATOM 639 CG LEU A 45 -8.810 10.308 -2.664 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.768 9.331 -1.500 1.00 0.00 C ATOM 641 CD2 LEU A 45 -8.251 11.661 -2.245 1.00 0.00 C ATOM 0 H LEU A 45 -6.942 8.665 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.526 7.659 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.995 9.604 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.025 10.517 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.851 10.437 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.327 9.742 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.214 8.384 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.733 9.166 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.814 12.039 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.202 11.552 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.336 12.363 -3.075 1.00 0.00 H new ATOM 653 N PHE A 46 -10.237 8.999 -6.135 1.00 0.00 N ATOM 654 CA PHE A 46 -11.578 9.282 -6.637 1.00 0.00 C ATOM 655 C PHE A 46 -12.403 7.999 -6.777 1.00 0.00 C ATOM 656 O PHE A 46 -13.634 8.036 -6.773 1.00 0.00 O ATOM 657 CB PHE A 46 -11.486 10.010 -7.982 1.00 0.00 C ATOM 658 CG PHE A 46 -12.802 10.537 -8.479 1.00 0.00 C ATOM 659 CD1 PHE A 46 -13.417 11.606 -7.847 1.00 0.00 C ATOM 660 CD2 PHE A 46 -13.425 9.965 -9.576 1.00 0.00 C ATOM 661 CE1 PHE A 46 -14.627 12.093 -8.299 1.00 0.00 C ATOM 662 CE2 PHE A 46 -14.637 10.448 -10.033 1.00 0.00 C ATOM 663 CZ PHE A 46 -15.238 11.516 -9.393 1.00 0.00 C ATOM 0 H PHE A 46 -9.497 9.105 -6.829 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.085 9.923 -5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.785 10.840 -7.888 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.074 9.328 -8.726 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.944 12.064 -6.991 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.958 9.132 -10.080 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.095 12.926 -7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -15.113 9.992 -10.888 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.184 11.898 -9.749 1.00 0.00 H new ATOM 673 N ALA A 47 -11.725 6.863 -6.868 1.00 0.00 N ATOM 674 CA ALA A 47 -12.405 5.589 -7.074 1.00 0.00 C ATOM 675 C ALA A 47 -12.827 4.960 -5.749 1.00 0.00 C ATOM 676 O ALA A 47 -13.515 3.938 -5.724 1.00 0.00 O ATOM 677 CB ALA A 47 -11.512 4.640 -7.857 1.00 0.00 C ATOM 0 H ALA A 47 -10.709 6.796 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.311 5.779 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.030 3.692 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.275 5.079 -8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.590 4.467 -7.302 1.00 0.00 H new ATOM 683 N VAL A 48 -12.421 5.582 -4.652 1.00 0.00 N ATOM 684 CA VAL A 48 -12.760 5.093 -3.323 1.00 0.00 C ATOM 685 C VAL A 48 -13.272 6.235 -2.459 1.00 0.00 C ATOM 686 O VAL A 48 -13.528 7.329 -2.962 1.00 0.00 O ATOM 687 CB VAL A 48 -11.559 4.411 -2.626 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.113 3.182 -3.401 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.400 5.379 -2.445 1.00 0.00 C ATOM 0 H VAL A 48 -11.854 6.430 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.541 4.343 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.888 4.095 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.267 2.718 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.936 2.470 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.815 3.475 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.573 4.868 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.074 5.742 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.722 6.222 -1.833 1.00 0.00 H new ATOM 699 N ASN A 49 -13.441 5.977 -1.171 1.00 0.00 N ATOM 700 CA ASN A 49 -13.914 6.998 -0.249 1.00 0.00 C ATOM 701 C ASN A 49 -12.734 7.763 0.323 1.00 0.00 C ATOM 702 O ASN A 49 -12.613 8.973 0.139 1.00 0.00 O ATOM 703 CB ASN A 49 -14.723 6.370 0.892 1.00 0.00 C ATOM 704 CG ASN A 49 -15.284 7.413 1.846 1.00 0.00 C ATOM 705 OD1 ASN A 49 -15.630 8.524 1.442 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.372 7.067 3.119 1.00 0.00 N ATOM 0 H ASN A 49 -13.258 5.070 -0.741 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.561 7.682 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.543 5.785 0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.088 5.678 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.736 7.730 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.076 6.137 3.417 1.00 0.00 H new ATOM 713 N ASN A 50 -11.852 7.043 1.000 1.00 0.00 N ATOM 714 CA ASN A 50 -10.692 7.645 1.659 1.00 0.00 C ATOM 715 C ASN A 50 -9.455 6.797 1.408 1.00 0.00 C ATOM 716 O ASN A 50 -9.568 5.603 1.132 1.00 0.00 O ATOM 717 CB ASN A 50 -10.933 7.775 3.171 1.00 0.00 C ATOM 718 CG ASN A 50 -11.523 9.116 3.583 1.00 0.00 C ATOM 719 OD1 ASN A 50 -12.236 9.771 2.684 1.00 0.00 O flip ATOM 720 ND2 ASN A 50 -11.325 9.568 4.711 1.00 0.00 N flip ATOM 0 H ASN A 50 -11.915 6.031 1.110 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.539 8.641 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.604 6.979 3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.988 7.627 3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.770 9.038 5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.716 10.473 4.974 1.00 0.00 H new ATOM 727 N MET A 51 -8.280 7.403 1.504 1.00 0.00 N ATOM 728 CA MET A 51 -7.036 6.687 1.252 1.00 0.00 C ATOM 729 C MET A 51 -5.849 7.502 1.747 1.00 0.00 C ATOM 730 O MET A 51 -5.756 8.701 1.482 1.00 0.00 O ATOM 731 CB MET A 51 -6.885 6.395 -0.246 1.00 0.00 C ATOM 732 CG MET A 51 -5.871 5.311 -0.556 1.00 0.00 C ATOM 733 SD MET A 51 -5.682 5.023 -2.322 1.00 0.00 S ATOM 734 CE MET A 51 -4.671 3.551 -2.290 1.00 0.00 C ATOM 0 H MET A 51 -8.161 8.385 1.754 1.00 0.00 H new ATOM 0 HA MET A 51 -7.064 5.741 1.793 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.854 6.100 -0.649 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.592 7.312 -0.758 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.906 5.589 -0.132 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.177 4.384 -0.071 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.776 3.711 -2.891 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.384 3.329 -1.262 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.236 2.713 -2.698 1.00 0.00 H new ATOM 744 N PHE A 52 -4.957 6.852 2.480 1.00 0.00 N ATOM 745 CA PHE A 52 -3.765 7.508 2.997 1.00 0.00 C ATOM 746 C PHE A 52 -2.702 6.471 3.321 1.00 0.00 C ATOM 747 O PHE A 52 -3.021 5.311 3.564 1.00 0.00 O ATOM 748 CB PHE A 52 -4.100 8.331 4.253 1.00 0.00 C ATOM 749 CG PHE A 52 -4.616 7.515 5.411 1.00 0.00 C ATOM 750 CD1 PHE A 52 -5.957 7.174 5.497 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.758 7.092 6.415 1.00 0.00 C ATOM 752 CE1 PHE A 52 -6.431 6.427 6.559 1.00 0.00 C ATOM 753 CE2 PHE A 52 -4.227 6.344 7.478 1.00 0.00 C ATOM 754 CZ PHE A 52 -5.566 6.012 7.551 1.00 0.00 C ATOM 0 H PHE A 52 -5.037 5.867 2.731 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.383 8.185 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.206 8.867 4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.846 9.082 3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.640 7.496 4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.711 7.350 6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.478 6.168 6.612 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.547 6.019 8.252 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.935 5.429 8.382 1.00 0.00 H new ATOM 764 N VAL A 53 -1.444 6.877 3.304 1.00 0.00 N ATOM 765 CA VAL A 53 -0.371 5.985 3.708 1.00 0.00 C ATOM 766 C VAL A 53 -0.400 5.804 5.220 1.00 0.00 C ATOM 767 O VAL A 53 -0.514 6.777 5.969 1.00 0.00 O ATOM 768 CB VAL A 53 1.018 6.485 3.251 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.162 6.347 1.743 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.247 7.930 3.674 1.00 0.00 C ATOM 0 H VAL A 53 -1.142 7.808 3.018 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.536 5.026 3.217 1.00 0.00 H new ATOM 0 HB VAL A 53 1.774 5.867 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.146 6.703 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.052 5.300 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.392 6.939 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.232 8.255 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.483 8.566 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.190 8.005 4.760 1.00 0.00 H new ATOM 780 N SER A 54 -0.333 4.563 5.661 1.00 0.00 N ATOM 781 CA SER A 54 -0.468 4.251 7.069 1.00 0.00 C ATOM 782 C SER A 54 0.707 4.791 7.867 1.00 0.00 C ATOM 783 O SER A 54 1.873 4.577 7.518 1.00 0.00 O ATOM 784 CB SER A 54 -0.587 2.748 7.253 1.00 0.00 C ATOM 785 OG SER A 54 -1.643 2.227 6.466 1.00 0.00 O ATOM 0 H SER A 54 -0.185 3.752 5.061 1.00 0.00 H new ATOM 0 HA SER A 54 -1.372 4.731 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.351 2.268 6.975 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.763 2.519 8.304 1.00 0.00 H new ATOM 0 HG SER A 54 -2.122 1.540 6.975 1.00 0.00 H new ATOM 791 N LYS A 55 0.389 5.487 8.941 1.00 0.00 N ATOM 792 CA LYS A 55 1.396 6.117 9.771 1.00 0.00 C ATOM 793 C LYS A 55 1.589 5.358 11.078 1.00 0.00 C ATOM 794 O LYS A 55 2.306 5.811 11.971 1.00 0.00 O ATOM 795 CB LYS A 55 1.036 7.585 10.032 1.00 0.00 C ATOM 796 CG LYS A 55 -0.459 7.855 10.157 1.00 0.00 C ATOM 797 CD LYS A 55 -0.735 9.338 10.361 1.00 0.00 C ATOM 798 CE LYS A 55 -2.210 9.677 10.181 1.00 0.00 C ATOM 799 NZ LYS A 55 -3.087 8.958 11.142 1.00 0.00 N ATOM 0 H LYS A 55 -0.569 5.631 9.261 1.00 0.00 H new ATOM 0 HA LYS A 55 2.344 6.088 9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.529 7.910 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.436 8.194 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.970 7.507 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.865 7.288 10.995 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.415 9.632 11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.141 9.917 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.349 10.751 10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.514 9.430 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.076 9.238 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.991 7.932 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.808 9.199 12.114 1.00 0.00 H new ATOM 813 N SER A 56 0.950 4.198 11.184 1.00 0.00 N ATOM 814 CA SER A 56 1.165 3.309 12.314 1.00 0.00 C ATOM 815 C SER A 56 1.996 2.128 11.840 1.00 0.00 C ATOM 816 O SER A 56 2.351 1.231 12.609 1.00 0.00 O ATOM 817 CB SER A 56 -0.176 2.831 12.887 1.00 0.00 C ATOM 818 OG SER A 56 0.011 1.942 13.977 1.00 0.00 O ATOM 0 H SER A 56 0.278 3.853 10.498 1.00 0.00 H new ATOM 0 HA SER A 56 1.692 3.838 13.108 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.760 3.691 13.214 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.750 2.334 12.105 1.00 0.00 H new ATOM 0 HG SER A 56 0.865 1.473 13.874 1.00 0.00 H new ATOM 824 N LEU A 57 2.311 2.161 10.555 1.00 0.00 N ATOM 825 CA LEU A 57 3.058 1.118 9.904 1.00 0.00 C ATOM 826 C LEU A 57 4.402 1.673 9.460 1.00 0.00 C ATOM 827 O LEU A 57 4.904 2.631 10.049 1.00 0.00 O ATOM 828 CB LEU A 57 2.237 0.588 8.725 1.00 0.00 C ATOM 829 CG LEU A 57 1.050 -0.285 9.143 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.021 -0.428 8.035 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.555 -1.647 9.537 1.00 0.00 C ATOM 0 H LEU A 57 2.048 2.926 9.934 1.00 0.00 H new ATOM 0 HA LEU A 57 3.249 0.288 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.868 1.432 8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.889 0.010 8.071 1.00 0.00 H new ATOM 0 HG LEU A 57 0.558 0.203 9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.801 -1.056 8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.363 0.556 7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.487 -0.887 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.715 -2.274 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.066 -2.105 8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.250 -1.550 10.371 1.00 0.00 H new ATOM 843 N ARG A 58 4.980 1.094 8.430 1.00 0.00 N ATOM 844 CA ARG A 58 6.312 1.497 8.002 1.00 0.00 C ATOM 845 C ARG A 58 6.355 1.729 6.495 1.00 0.00 C ATOM 846 O ARG A 58 5.626 1.085 5.738 1.00 0.00 O ATOM 847 CB ARG A 58 7.354 0.446 8.408 1.00 0.00 C ATOM 848 CG ARG A 58 7.387 -0.782 7.511 1.00 0.00 C ATOM 849 CD ARG A 58 8.378 -1.820 8.014 1.00 0.00 C ATOM 850 NE ARG A 58 8.693 -2.808 6.982 1.00 0.00 N ATOM 851 CZ ARG A 58 8.272 -4.073 6.996 1.00 0.00 C ATOM 852 NH1 ARG A 58 7.503 -4.512 7.987 1.00 0.00 N ATOM 853 NH2 ARG A 58 8.613 -4.893 6.008 1.00 0.00 N ATOM 0 H ARG A 58 4.558 0.350 7.875 1.00 0.00 H new ATOM 0 HA ARG A 58 6.553 2.436 8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.340 0.910 8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.153 0.129 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.392 -1.223 7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.655 -0.485 6.497 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.294 -1.324 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.965 -2.324 8.888 1.00 0.00 H new ATOM 0 HE ARG A 58 9.274 -2.509 6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.233 -3.880 8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.183 -5.481 7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.195 -4.554 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.293 -5.861 6.015 1.00 0.00 H new ATOM 867 N CYS A 59 7.194 2.664 6.071 1.00 0.00 N ATOM 868 CA CYS A 59 7.407 2.936 4.654 1.00 0.00 C ATOM 869 C CYS A 59 8.787 3.526 4.440 1.00 0.00 C ATOM 870 O CYS A 59 9.331 4.183 5.326 1.00 0.00 O ATOM 871 CB CYS A 59 6.376 3.921 4.097 1.00 0.00 C ATOM 872 SG CYS A 59 4.650 3.445 4.338 1.00 0.00 S ATOM 0 H CYS A 59 7.744 3.254 6.695 1.00 0.00 H new ATOM 0 HA CYS A 59 7.305 1.986 4.130 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.537 4.893 4.563 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.556 4.046 3.029 1.00 0.00 H new ATOM 0 HG CYS A 59 4.594 2.368 5.063 1.00 0.00 H new ATOM 878 N ALA A 60 9.342 3.295 3.263 1.00 0.00 N ATOM 879 CA ALA A 60 10.612 3.897 2.888 1.00 0.00 C ATOM 880 C ALA A 60 10.809 3.820 1.383 1.00 0.00 C ATOM 881 O ALA A 60 10.572 4.786 0.663 1.00 0.00 O ATOM 882 CB ALA A 60 11.770 3.220 3.614 1.00 0.00 C ATOM 0 H ALA A 60 8.933 2.693 2.548 1.00 0.00 H new ATOM 0 HA ALA A 60 10.594 4.946 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.709 3.688 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.636 3.326 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.794 2.162 3.354 1.00 0.00 H new ATOM 888 N ASP A 61 11.185 2.646 0.917 1.00 0.00 N ATOM 889 CA ASP A 61 11.509 2.442 -0.489 1.00 0.00 C ATOM 890 C ASP A 61 11.173 1.023 -0.932 1.00 0.00 C ATOM 891 O ASP A 61 10.657 0.819 -2.026 1.00 0.00 O ATOM 892 CB ASP A 61 12.990 2.761 -0.780 1.00 0.00 C ATOM 893 CG ASP A 61 13.982 2.102 0.176 1.00 0.00 C ATOM 894 OD1 ASP A 61 13.594 1.198 0.951 1.00 0.00 O ATOM 895 OD2 ASP A 61 15.164 2.509 0.169 1.00 0.00 O ATOM 0 H ASP A 61 11.276 1.809 1.494 1.00 0.00 H new ATOM 0 HA ASP A 61 10.896 3.135 -1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.223 2.447 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.130 3.841 -0.740 1.00 0.00 H new ATOM 900 N ASP A 62 11.475 0.053 -0.084 1.00 0.00 N ATOM 901 CA ASP A 62 11.142 -1.343 -0.356 1.00 0.00 C ATOM 902 C ASP A 62 9.667 -1.618 -0.106 1.00 0.00 C ATOM 903 O ASP A 62 9.025 -2.368 -0.842 1.00 0.00 O ATOM 904 CB ASP A 62 11.992 -2.264 0.525 1.00 0.00 C ATOM 905 CG ASP A 62 11.611 -3.722 0.383 1.00 0.00 C ATOM 906 OD1 ASP A 62 12.048 -4.357 -0.602 1.00 0.00 O ATOM 907 OD2 ASP A 62 10.889 -4.243 1.261 1.00 0.00 O ATOM 0 H ASP A 62 11.953 0.204 0.804 1.00 0.00 H new ATOM 0 HA ASP A 62 11.354 -1.540 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.043 -2.140 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.884 -1.964 1.567 1.00 0.00 H new ATOM 912 N VAL A 63 9.129 -0.987 0.924 1.00 0.00 N ATOM 913 CA VAL A 63 7.772 -1.263 1.355 1.00 0.00 C ATOM 914 C VAL A 63 6.983 0.030 1.542 1.00 0.00 C ATOM 915 O VAL A 63 7.548 1.074 1.892 1.00 0.00 O ATOM 916 CB VAL A 63 7.765 -2.070 2.677 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.310 -1.238 3.833 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.368 -2.580 2.996 1.00 0.00 C ATOM 0 H VAL A 63 9.613 -0.280 1.477 1.00 0.00 H new ATOM 0 HA VAL A 63 7.296 -1.857 0.575 1.00 0.00 H new ATOM 0 HB VAL A 63 8.420 -2.931 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.293 -1.831 4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.335 -0.938 3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.692 -0.350 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.391 -3.143 3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.687 -1.735 3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.024 -3.228 2.189 1.00 0.00 H new ATOM 928 N ALA A 64 5.688 -0.042 1.275 1.00 0.00 N ATOM 929 CA ALA A 64 4.779 1.053 1.543 1.00 0.00 C ATOM 930 C ALA A 64 3.441 0.513 2.030 1.00 0.00 C ATOM 931 O ALA A 64 2.688 -0.092 1.270 1.00 0.00 O ATOM 932 CB ALA A 64 4.586 1.911 0.301 1.00 0.00 C ATOM 0 H ALA A 64 5.241 -0.863 0.866 1.00 0.00 H new ATOM 0 HA ALA A 64 5.212 1.679 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.899 2.727 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.547 2.320 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.173 1.301 -0.502 1.00 0.00 H new ATOM 938 N TYR A 65 3.169 0.709 3.309 1.00 0.00 N ATOM 939 CA TYR A 65 1.906 0.295 3.899 1.00 0.00 C ATOM 940 C TYR A 65 0.862 1.389 3.719 1.00 0.00 C ATOM 941 O TYR A 65 0.974 2.469 4.297 1.00 0.00 O ATOM 942 CB TYR A 65 2.092 -0.030 5.374 1.00 0.00 C ATOM 943 CG TYR A 65 2.713 -1.389 5.611 1.00 0.00 C ATOM 944 CD1 TYR A 65 1.992 -2.551 5.359 1.00 0.00 C ATOM 945 CD2 TYR A 65 4.014 -1.515 6.077 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.551 -3.798 5.566 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.581 -2.759 6.285 1.00 0.00 C ATOM 948 CZ TYR A 65 3.845 -3.896 6.028 1.00 0.00 C ATOM 949 OH TYR A 65 4.407 -5.134 6.232 1.00 0.00 O ATOM 0 H TYR A 65 3.811 1.156 3.964 1.00 0.00 H new ATOM 0 HA TYR A 65 1.558 -0.605 3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.720 0.734 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.124 0.012 5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.978 -2.478 4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.593 -0.627 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.976 -4.691 5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.595 -2.839 6.647 1.00 0.00 H new ATOM 0 HH TYR A 65 4.320 -5.671 5.417 1.00 0.00 H new ATOM 959 N ILE A 66 -0.134 1.114 2.892 1.00 0.00 N ATOM 960 CA ILE A 66 -1.151 2.105 2.567 1.00 0.00 C ATOM 961 C ILE A 66 -2.530 1.649 3.036 1.00 0.00 C ATOM 962 O ILE A 66 -2.925 0.508 2.808 1.00 0.00 O ATOM 963 CB ILE A 66 -1.204 2.375 1.046 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.178 2.785 0.529 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.232 3.454 0.730 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.215 3.052 -0.960 1.00 0.00 C ATOM 0 H ILE A 66 -0.261 0.212 2.432 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.877 3.024 3.085 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.504 1.456 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.503 3.681 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.893 1.997 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.255 3.631 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.216 3.128 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.961 4.376 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.225 3.337 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.079 2.151 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.475 3.860 -1.202 1.00 0.00 H new ATOM 978 N ASN A 67 -3.256 2.543 3.685 1.00 0.00 N ATOM 979 CA ASN A 67 -4.608 2.252 4.135 1.00 0.00 C ATOM 980 C ASN A 67 -5.613 2.863 3.165 1.00 0.00 C ATOM 981 O ASN A 67 -5.560 4.061 2.873 1.00 0.00 O ATOM 982 CB ASN A 67 -4.836 2.810 5.539 1.00 0.00 C ATOM 983 CG ASN A 67 -6.164 2.375 6.129 1.00 0.00 C ATOM 984 OD1 ASN A 67 -6.249 1.359 6.817 1.00 0.00 O ATOM 985 ND2 ASN A 67 -7.212 3.140 5.860 1.00 0.00 N ATOM 0 H ASN A 67 -2.930 3.482 3.914 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.744 1.171 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.027 2.482 6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.797 3.899 5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.131 2.894 6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.100 3.975 5.285 1.00 0.00 H new ATOM 992 N VAL A 68 -6.529 2.050 2.678 1.00 0.00 N ATOM 993 CA VAL A 68 -7.484 2.494 1.672 1.00 0.00 C ATOM 994 C VAL A 68 -8.900 2.094 2.073 1.00 0.00 C ATOM 995 O VAL A 68 -9.096 1.083 2.736 1.00 0.00 O ATOM 996 CB VAL A 68 -7.140 1.909 0.275 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.188 0.387 0.285 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.069 2.464 -0.798 1.00 0.00 C ATOM 0 H VAL A 68 -6.636 1.076 2.961 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.425 3.581 1.610 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.121 2.214 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.943 0.009 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.467 0.005 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.189 0.056 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.804 2.037 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.100 2.204 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.968 3.549 -0.841 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.876 2.899 1.693 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.269 2.592 1.973 1.00 0.00 C ATOM 1010 C GLU A 69 -12.112 2.820 0.725 1.00 0.00 C ATOM 1011 O GLU A 69 -12.225 3.945 0.239 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.798 3.442 3.130 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.189 3.030 3.589 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.735 3.921 4.682 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.443 3.666 5.870 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -14.467 4.878 4.359 1.00 0.00 O ATOM 0 H GLU A 69 -9.730 3.773 1.188 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.337 1.544 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.108 3.369 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.818 4.488 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.868 3.051 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.158 2.001 3.947 1.00 0.00 H new ATOM 1023 N THR A 70 -12.683 1.742 0.213 1.00 0.00 N ATOM 1024 CA THR A 70 -13.489 1.776 -0.999 1.00 0.00 C ATOM 1025 C THR A 70 -14.756 2.610 -0.813 1.00 0.00 C ATOM 1026 O THR A 70 -15.105 2.987 0.306 1.00 0.00 O ATOM 1027 CB THR A 70 -13.886 0.348 -1.418 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.561 -0.306 -0.334 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.661 -0.460 -1.817 1.00 0.00 C ATOM 0 H THR A 70 -12.601 0.814 0.628 1.00 0.00 H new ATOM 0 HA THR A 70 -12.881 2.238 -1.777 1.00 0.00 H new ATOM 0 HB THR A 70 -14.552 0.415 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.921 -0.495 0.384 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.967 -1.465 -2.109 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.162 0.025 -2.656 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.974 -0.521 -0.973 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.452 2.887 -1.914 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.701 3.643 -1.862 1.00 0.00 C ATOM 1039 C LYS A 71 -17.814 2.824 -1.210 1.00 0.00 C ATOM 1040 O LYS A 71 -18.852 3.364 -0.831 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.116 4.104 -3.262 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.618 5.503 -3.601 1.00 0.00 C ATOM 1043 CD LYS A 71 -16.925 5.883 -5.042 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.838 7.391 -5.261 1.00 0.00 C ATOM 1045 NZ LYS A 71 -15.540 7.962 -4.810 1.00 0.00 N ATOM 0 H LYS A 71 -15.172 2.599 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.531 4.527 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.732 3.399 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.203 4.083 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.081 6.226 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.542 5.556 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.225 5.378 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.924 5.534 -5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.978 7.609 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.651 7.880 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.645 8.986 -4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.252 7.509 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.815 7.791 -5.536 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.578 1.521 -1.070 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.495 0.643 -0.351 1.00 0.00 C ATOM 1061 C GLU A 72 -18.178 0.642 1.139 1.00 0.00 C ATOM 1062 O GLU A 72 -18.682 -0.192 1.892 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.437 -0.784 -0.907 1.00 0.00 C ATOM 1064 CG GLU A 72 -19.392 -1.018 -2.066 1.00 0.00 C ATOM 1065 CD GLU A 72 -20.842 -0.863 -1.649 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -21.348 0.276 -1.646 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -21.485 -1.881 -1.302 1.00 0.00 O ATOM 0 H GLU A 72 -16.756 1.050 -1.447 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.506 1.025 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.420 -0.997 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.668 -1.488 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.168 -0.314 -2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.236 -2.019 -2.468 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.314 1.576 1.547 1.00 0.00 N ATOM 1075 CA ARG A 73 -17.006 1.809 2.959 1.00 0.00 C ATOM 1076 C ARG A 73 -16.267 0.621 3.564 1.00 0.00 C ATOM 1077 O ARG A 73 -16.220 0.458 4.781 1.00 0.00 O ATOM 1078 CB ARG A 73 -18.292 2.108 3.742 1.00 0.00 C ATOM 1079 CG ARG A 73 -19.071 3.279 3.168 1.00 0.00 C ATOM 1080 CD ARG A 73 -20.403 3.488 3.872 1.00 0.00 C ATOM 1081 NE ARG A 73 -21.195 4.523 3.210 1.00 0.00 N ATOM 1082 CZ ARG A 73 -22.042 5.338 3.831 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -22.301 5.181 5.123 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -22.658 6.293 3.144 1.00 0.00 N ATOM 0 H ARG A 73 -16.810 2.191 0.908 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.349 2.676 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.926 1.221 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.039 2.320 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.473 4.186 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.247 3.110 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.961 2.552 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.228 3.769 4.911 1.00 0.00 H new ATOM 0 HE ARG A 73 -21.090 4.627 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.849 4.431 5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.952 5.810 5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -22.480 6.398 2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -23.309 6.921 3.615 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.680 -0.201 2.704 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.865 -1.313 3.161 1.00 0.00 C ATOM 1100 C ASN A 74 -13.395 -0.970 2.986 1.00 0.00 C ATOM 1101 O ASN A 74 -12.969 -0.535 1.911 1.00 0.00 O ATOM 1102 CB ASN A 74 -15.204 -2.597 2.402 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.519 -3.811 3.005 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -14.270 -3.865 4.210 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -14.212 -4.794 2.174 1.00 0.00 N ATOM 0 H ASN A 74 -15.754 -0.117 1.690 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.075 -1.486 4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.283 -2.749 2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.904 -2.492 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.753 -5.634 2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.435 -4.712 1.182 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.627 -1.169 4.039 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.241 -0.737 4.071 1.00 0.00 C ATOM 1114 C ARG A 75 -10.288 -1.909 3.886 1.00 0.00 C ATOM 1115 O ARG A 75 -10.603 -3.046 4.227 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.922 -0.013 5.385 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.259 -0.817 6.636 1.00 0.00 C ATOM 1118 CD ARG A 75 -12.741 -0.751 6.967 1.00 0.00 C ATOM 1119 NE ARG A 75 -13.125 -1.757 7.955 1.00 0.00 N ATOM 1120 CZ ARG A 75 -14.014 -1.546 8.929 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -14.591 -0.355 9.070 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -14.333 -2.529 9.764 1.00 0.00 N ATOM 0 H ARG A 75 -12.942 -1.631 4.892 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.101 -0.044 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.861 0.237 5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.472 0.928 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.965 -1.856 6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.681 -0.438 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.984 0.241 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.323 -0.896 6.057 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.687 -2.676 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.355 0.405 8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.269 -0.202 9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.899 -3.446 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.012 -2.366 10.507 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.126 -1.610 3.336 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.081 -2.595 3.125 1.00 0.00 C ATOM 1138 C TYR A 76 -6.733 -1.999 3.500 1.00 0.00 C ATOM 1139 O TYR A 76 -6.500 -0.804 3.310 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.024 -3.037 1.656 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.272 -3.720 1.140 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.303 -2.985 0.570 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -9.407 -5.101 1.203 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.436 -3.605 0.082 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -10.535 -5.729 0.712 1.00 0.00 C ATOM 1146 CZ TYR A 76 -11.547 -4.976 0.153 1.00 0.00 C ATOM 1147 OH TYR A 76 -12.671 -5.598 -0.337 1.00 0.00 O ATOM 0 H TYR A 76 -8.879 -0.672 3.021 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.306 -3.460 3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.826 -2.162 1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.180 -3.715 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.217 -1.910 0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.618 -5.693 1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.231 -3.018 -0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.624 -6.804 0.765 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.590 -6.566 -0.211 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.860 -2.822 4.046 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.476 -2.431 4.247 1.00 0.00 C ATOM 1159 C CYS A 77 -3.622 -3.058 3.151 1.00 0.00 C ATOM 1160 O CYS A 77 -3.593 -4.277 3.003 1.00 0.00 O ATOM 1161 CB CYS A 77 -3.983 -2.862 5.630 1.00 0.00 C ATOM 1162 SG CYS A 77 -4.842 -2.063 7.008 1.00 0.00 S ATOM 0 H CYS A 77 -6.083 -3.767 4.359 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.396 -1.345 4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.097 -3.942 5.723 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -2.917 -2.646 5.707 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.124 -2.237 6.880 1.00 0.00 H new ATOM 1168 N LEU A 78 -2.951 -2.231 2.368 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.181 -2.719 1.235 1.00 0.00 C ATOM 1170 C LEU A 78 -0.694 -2.712 1.543 1.00 0.00 C ATOM 1171 O LEU A 78 -0.139 -1.694 1.959 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.445 -1.859 -0.007 1.00 0.00 C ATOM 1173 CG LEU A 78 -3.914 -1.723 -0.407 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.037 -0.917 -1.686 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.552 -3.088 -0.583 1.00 0.00 C ATOM 0 H LEU A 78 -2.923 -1.219 2.495 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.497 -3.744 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.040 -0.863 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.895 -2.284 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.440 -1.199 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.088 -0.828 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.616 0.077 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.495 -1.420 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.597 -2.967 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.025 -3.638 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.493 -3.641 0.355 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.058 -3.853 1.341 1.00 0.00 N ATOM 1188 CA GLU A 79 1.382 -3.949 1.443 1.00 0.00 C ATOM 1189 C GLU A 79 1.978 -3.774 0.053 1.00 0.00 C ATOM 1190 O GLU A 79 2.017 -4.714 -0.748 1.00 0.00 O ATOM 1191 CB GLU A 79 1.796 -5.292 2.058 1.00 0.00 C ATOM 1192 CG GLU A 79 3.298 -5.452 2.239 1.00 0.00 C ATOM 1193 CD GLU A 79 3.661 -6.735 2.959 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.417 -7.824 2.403 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.180 -6.660 4.094 1.00 0.00 O ATOM 0 H GLU A 79 -0.523 -4.729 1.104 1.00 0.00 H new ATOM 0 HA GLU A 79 1.759 -3.166 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.310 -5.401 3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.429 -6.099 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.782 -5.437 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.686 -4.602 2.800 1.00 0.00 H new ATOM 1202 N LEU A 80 2.373 -2.546 -0.244 1.00 0.00 N ATOM 1203 CA LEU A 80 2.924 -2.211 -1.544 1.00 0.00 C ATOM 1204 C LEU A 80 4.416 -2.497 -1.582 1.00 0.00 C ATOM 1205 O LEU A 80 5.192 -1.927 -0.813 1.00 0.00 O ATOM 1206 CB LEU A 80 2.653 -0.735 -1.867 1.00 0.00 C ATOM 1207 CG LEU A 80 3.266 -0.222 -3.173 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.723 -0.992 -4.366 1.00 0.00 C ATOM 1209 CD2 LEU A 80 2.999 1.265 -3.337 1.00 0.00 C ATOM 0 H LEU A 80 2.321 -1.760 0.405 1.00 0.00 H new ATOM 0 HA LEU A 80 2.438 -2.830 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.575 -0.582 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.030 -0.126 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 80 4.343 -0.380 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.173 -0.609 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.965 -2.049 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.641 -0.870 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.441 1.613 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.924 1.442 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.440 1.808 -2.501 1.00 0.00 H new ATOM 1221 N THR A 81 4.800 -3.399 -2.468 1.00 0.00 N ATOM 1222 CA THR A 81 6.195 -3.749 -2.664 1.00 0.00 C ATOM 1223 C THR A 81 6.481 -3.864 -4.153 1.00 0.00 C ATOM 1224 O THR A 81 5.583 -3.674 -4.976 1.00 0.00 O ATOM 1225 CB THR A 81 6.540 -5.085 -1.973 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.604 -6.094 -2.378 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.525 -4.950 -0.456 1.00 0.00 C ATOM 0 H THR A 81 4.154 -3.909 -3.071 1.00 0.00 H new ATOM 0 HA THR A 81 6.810 -2.966 -2.221 1.00 0.00 H new ATOM 0 HB THR A 81 7.548 -5.371 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.826 -6.942 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.772 -5.910 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.259 -4.204 -0.150 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.533 -4.639 -0.128 1.00 0.00 H new ATOM 1235 N GLU A 82 7.713 -4.197 -4.507 1.00 0.00 N ATOM 1236 CA GLU A 82 8.069 -4.372 -5.909 1.00 0.00 C ATOM 1237 C GLU A 82 7.558 -5.717 -6.424 1.00 0.00 C ATOM 1238 O GLU A 82 7.789 -6.084 -7.575 1.00 0.00 O ATOM 1239 CB GLU A 82 9.585 -4.261 -6.103 1.00 0.00 C ATOM 1240 CG GLU A 82 10.383 -5.339 -5.385 1.00 0.00 C ATOM 1241 CD GLU A 82 11.873 -5.223 -5.636 1.00 0.00 C ATOM 1242 OE1 GLU A 82 12.310 -5.488 -6.776 1.00 0.00 O ATOM 1243 OE2 GLU A 82 12.615 -4.882 -4.694 1.00 0.00 O ATOM 0 H GLU A 82 8.478 -4.351 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 82 7.595 -3.578 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.809 -4.308 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.915 -3.284 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.192 -5.275 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.038 -6.320 -5.712 1.00 0.00 H new ATOM 1250 N ALA A 83 6.858 -6.444 -5.558 1.00 0.00 N ATOM 1251 CA ALA A 83 6.278 -7.725 -5.924 1.00 0.00 C ATOM 1252 C ALA A 83 4.782 -7.584 -6.194 1.00 0.00 C ATOM 1253 O ALA A 83 4.106 -8.559 -6.518 1.00 0.00 O ATOM 1254 CB ALA A 83 6.527 -8.748 -4.827 1.00 0.00 C ATOM 0 H ALA A 83 6.680 -6.163 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 83 6.757 -8.071 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.087 -9.703 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.600 -8.872 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.072 -8.404 -3.898 1.00 0.00 H new ATOM 1260 N GLY A 84 4.277 -6.365 -6.058 1.00 0.00 N ATOM 1261 CA GLY A 84 2.874 -6.102 -6.317 1.00 0.00 C ATOM 1262 C GLY A 84 2.147 -5.599 -5.087 1.00 0.00 C ATOM 1263 O GLY A 84 2.761 -5.389 -4.036 1.00 0.00 O ATOM 0 H GLY A 84 4.817 -5.549 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.786 -5.365 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.395 -7.015 -6.672 1.00 0.00 H new ATOM 1267 N LEU A 85 0.842 -5.396 -5.219 1.00 0.00 N ATOM 1268 CA LEU A 85 0.023 -4.947 -4.101 1.00 0.00 C ATOM 1269 C LEU A 85 -0.717 -6.124 -3.480 1.00 0.00 C ATOM 1270 O LEU A 85 -1.618 -6.701 -4.098 1.00 0.00 O ATOM 1271 CB LEU A 85 -0.992 -3.879 -4.533 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.411 -2.537 -4.987 1.00 0.00 C ATOM 1273 CD1 LEU A 85 0.085 -2.619 -6.419 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.449 -1.436 -4.845 1.00 0.00 C ATOM 0 H LEU A 85 0.328 -5.535 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 85 0.694 -4.504 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.591 -4.286 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.670 -3.694 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 85 0.439 -2.299 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.493 -1.654 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.862 -3.380 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.743 -2.882 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.021 -0.488 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.317 -1.673 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.754 -1.356 -3.802 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.329 -6.479 -2.267 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.973 -7.566 -1.546 1.00 0.00 C ATOM 1288 C LYS A 86 -1.681 -7.027 -0.308 1.00 0.00 C ATOM 1289 O LYS A 86 -1.084 -6.300 0.486 1.00 0.00 O ATOM 1290 CB LYS A 86 0.067 -8.619 -1.154 1.00 0.00 C ATOM 1291 CG LYS A 86 -0.479 -9.728 -0.265 1.00 0.00 C ATOM 1292 CD LYS A 86 0.573 -10.786 0.030 1.00 0.00 C ATOM 1293 CE LYS A 86 1.811 -10.188 0.678 1.00 0.00 C ATOM 1294 NZ LYS A 86 1.502 -9.515 1.965 1.00 0.00 N ATOM 0 H LYS A 86 0.432 -6.029 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.716 -8.033 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.478 -9.063 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.891 -8.126 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.836 -9.300 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.337 -10.194 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.150 -11.545 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.854 -11.287 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.545 -10.975 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.266 -9.471 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.383 -9.167 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.861 -8.714 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.046 -10.192 2.610 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.953 -7.373 -0.151 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.726 -6.917 0.998 1.00 0.00 C ATOM 1310 C VAL A 87 -3.314 -7.694 2.251 1.00 0.00 C ATOM 1311 O VAL A 87 -3.122 -8.911 2.205 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.257 -7.046 0.772 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -5.677 -6.313 -0.492 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.703 -8.498 0.711 1.00 0.00 C ATOM 0 H VAL A 87 -3.469 -7.965 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.507 -5.858 1.133 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.748 -6.586 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.753 -6.416 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.422 -5.257 -0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.157 -6.740 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.780 -8.541 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.194 -9.001 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.455 -8.995 1.649 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.154 -6.986 3.356 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.717 -7.601 4.604 1.00 0.00 C ATOM 1326 C VAL A 88 -3.756 -7.433 5.705 1.00 0.00 C ATOM 1327 O VAL A 88 -3.572 -7.917 6.818 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.370 -7.016 5.081 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.241 -7.454 4.165 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.435 -5.498 5.149 1.00 0.00 C ATOM 0 H VAL A 88 -3.320 -5.981 3.417 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.589 -8.664 4.399 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.172 -7.398 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.699 -7.031 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.173 -8.542 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.438 -7.104 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.475 -5.108 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.661 -5.099 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.216 -5.198 5.848 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.848 -6.752 5.391 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.888 -6.553 6.374 1.00 0.00 C ATOM 1342 C GLY A 89 -7.122 -5.907 5.790 1.00 0.00 C ATOM 1343 O GLY A 89 -7.051 -5.254 4.748 1.00 0.00 O ATOM 0 H GLY A 89 -5.031 -6.336 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.158 -7.514 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.505 -5.931 7.183 1.00 0.00 H new ATOM 1347 N TYR A 90 -8.252 -6.095 6.459 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.520 -5.511 6.029 1.00 0.00 C ATOM 1349 C TYR A 90 -10.037 -4.538 7.084 1.00 0.00 C ATOM 1350 O TYR A 90 -11.231 -4.237 7.160 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.554 -6.607 5.738 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.283 -7.928 6.428 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.644 -8.137 7.751 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.664 -8.969 5.743 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.398 -9.348 8.375 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.417 -10.181 6.358 1.00 0.00 C ATOM 1357 CZ TYR A 90 -9.784 -10.367 7.674 1.00 0.00 C ATOM 1358 OH TYR A 90 -9.541 -11.574 8.289 1.00 0.00 O ATOM 0 H TYR A 90 -8.318 -6.653 7.310 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.352 -4.958 5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.538 -6.249 6.040 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.593 -6.775 4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.124 -7.343 8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.372 -8.827 4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.685 -9.495 9.406 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.938 -10.979 5.810 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.104 -12.182 7.656 1.00 0.00 H new ATOM 1368 N ALA A 91 -9.110 -4.049 7.891 1.00 0.00 N ATOM 1369 CA ALA A 91 -9.398 -3.036 8.892 1.00 0.00 C ATOM 1370 C ALA A 91 -8.412 -1.889 8.736 1.00 0.00 C ATOM 1371 O ALA A 91 -7.697 -1.822 7.737 1.00 0.00 O ATOM 1372 CB ALA A 91 -9.324 -3.633 10.292 1.00 0.00 C ATOM 0 H ALA A 91 -8.134 -4.344 7.870 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.410 -2.658 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.542 -2.860 11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.053 -4.438 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.323 -4.028 10.467 1.00 0.00 H new ATOM 1378 N PHE A 92 -8.372 -0.989 9.704 1.00 0.00 N ATOM 1379 CA PHE A 92 -7.411 0.101 9.676 1.00 0.00 C ATOM 1380 C PHE A 92 -6.154 -0.293 10.440 1.00 0.00 C ATOM 1381 O PHE A 92 -6.235 -0.711 11.596 1.00 0.00 O ATOM 1382 CB PHE A 92 -8.012 1.373 10.275 1.00 0.00 C ATOM 1383 CG PHE A 92 -9.227 1.873 9.549 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -9.148 2.266 8.222 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -10.448 1.960 10.198 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -10.265 2.736 7.558 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -11.567 2.427 9.539 1.00 0.00 C ATOM 1388 CZ PHE A 92 -11.475 2.816 8.217 1.00 0.00 C ATOM 0 H PHE A 92 -8.990 -0.991 10.515 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.150 0.302 8.637 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.275 1.183 11.316 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.254 2.156 10.276 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.204 2.204 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -10.525 1.659 11.232 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.191 3.040 6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.513 2.488 10.056 1.00 0.00 H new ATOM 0 HZ PHE A 92 -12.349 3.182 7.699 1.00 0.00 H new ATOM 1398 N ASP A 93 -5.005 -0.174 9.774 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.707 -0.506 10.370 1.00 0.00 C ATOM 1400 C ASP A 93 -3.667 -1.967 10.814 1.00 0.00 C ATOM 1401 O ASP A 93 -3.338 -2.275 11.963 1.00 0.00 O ATOM 1402 CB ASP A 93 -3.390 0.412 11.561 1.00 0.00 C ATOM 1403 CG ASP A 93 -3.155 1.854 11.154 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -2.114 2.138 10.523 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -4.004 2.713 11.473 1.00 0.00 O ATOM 0 H ASP A 93 -4.946 0.154 8.810 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.948 -0.352 9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.214 0.371 12.273 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.505 0.037 12.076 1.00 0.00 H new ATOM 1410 N GLN A 94 -4.000 -2.864 9.898 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.040 -4.288 10.196 1.00 0.00 C ATOM 1412 C GLN A 94 -3.146 -5.063 9.234 1.00 0.00 C ATOM 1413 O GLN A 94 -3.313 -4.978 8.018 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.481 -4.799 10.107 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.609 -6.313 10.195 1.00 0.00 C ATOM 1416 CD GLN A 94 -7.052 -6.773 10.192 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -7.646 -6.995 9.136 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -7.623 -6.926 11.374 1.00 0.00 N ATOM 0 H GLN A 94 -4.248 -2.629 8.937 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.669 -4.443 11.209 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.065 -4.348 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.917 -4.462 9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.084 -6.768 9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.121 -6.664 11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.095 -6.731 12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.592 -7.239 11.436 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.198 -5.813 9.779 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.310 -6.627 8.964 1.00 0.00 C ATOM 1429 C VAL A 95 -1.274 -8.062 9.470 1.00 0.00 C ATOM 1430 O VAL A 95 -0.738 -8.344 10.542 1.00 0.00 O ATOM 1431 CB VAL A 95 0.127 -6.059 8.934 1.00 0.00 C ATOM 1432 CG1 VAL A 95 1.064 -6.983 8.164 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.129 -4.671 8.315 1.00 0.00 C ATOM 0 H VAL A 95 -2.025 -5.874 10.782 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.708 -6.609 7.950 1.00 0.00 H new ATOM 0 HB VAL A 95 0.488 -5.990 9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.068 -6.560 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.085 -7.962 8.644 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.709 -7.089 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.147 -4.281 8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.254 -4.726 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.504 -4.009 8.905 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.876 -8.954 8.705 1.00 0.00 N ATOM 1444 CA ASP A 96 -1.844 -10.375 9.007 1.00 0.00 C ATOM 1445 C ASP A 96 -0.879 -11.072 8.053 1.00 0.00 C ATOM 1446 O ASP A 96 -0.984 -10.922 6.831 1.00 0.00 O ATOM 1447 CB ASP A 96 -3.248 -10.971 8.881 1.00 0.00 C ATOM 1448 CG ASP A 96 -3.305 -12.439 9.251 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -2.907 -13.277 8.426 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -3.770 -12.760 10.364 1.00 0.00 O ATOM 0 H ASP A 96 -2.398 -8.717 7.861 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.501 -10.522 10.031 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.932 -10.414 9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.599 -10.847 7.856 1.00 0.00 H new ATOM 1455 N ASP A 97 0.063 -11.823 8.608 1.00 0.00 N ATOM 1456 CA ASP A 97 1.114 -12.448 7.807 1.00 0.00 C ATOM 1457 C ASP A 97 0.688 -13.840 7.337 1.00 0.00 C ATOM 1458 O ASP A 97 1.323 -14.441 6.467 1.00 0.00 O ATOM 1459 CB ASP A 97 2.414 -12.523 8.615 1.00 0.00 C ATOM 1460 CG ASP A 97 3.591 -13.020 7.796 1.00 0.00 C ATOM 1461 OD1 ASP A 97 4.176 -12.216 7.042 1.00 0.00 O ATOM 1462 OD2 ASP A 97 3.943 -14.211 7.919 1.00 0.00 O ATOM 0 H ASP A 97 0.123 -12.016 9.608 1.00 0.00 H new ATOM 0 HA ASP A 97 1.286 -11.836 6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.646 -11.535 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.267 -13.184 9.469 1.00 0.00 H new ATOM 1467 N HIS A 98 -0.400 -14.340 7.900 1.00 0.00 N ATOM 1468 CA HIS A 98 -0.949 -15.631 7.506 1.00 0.00 C ATOM 1469 C HIS A 98 -1.734 -15.487 6.205 1.00 0.00 C ATOM 1470 O HIS A 98 -1.813 -16.422 5.404 1.00 0.00 O ATOM 1471 CB HIS A 98 -1.848 -16.191 8.621 1.00 0.00 C ATOM 1472 CG HIS A 98 -2.578 -17.448 8.250 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -2.052 -18.704 8.430 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -3.795 -17.631 7.688 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -2.907 -19.605 7.992 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -3.977 -18.982 7.533 1.00 0.00 N ATOM 0 H HIS A 98 -0.925 -13.869 8.637 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.129 -16.331 7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.236 -16.386 9.502 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -2.577 -15.430 8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.495 -16.856 7.412 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.758 -20.675 8.006 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.800 -19.430 7.131 1.00 0.00 H new ATOM 1485 N LEU A 99 -2.328 -14.314 6.017 1.00 0.00 N ATOM 1486 CA LEU A 99 -3.082 -14.010 4.808 1.00 0.00 C ATOM 1487 C LEU A 99 -2.259 -14.248 3.553 1.00 0.00 C ATOM 1488 O LEU A 99 -1.201 -13.648 3.362 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.567 -12.559 4.818 1.00 0.00 C ATOM 1490 CG LEU A 99 -4.639 -12.230 5.852 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -5.084 -10.788 5.699 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -5.820 -13.170 5.703 1.00 0.00 C ATOM 0 H LEU A 99 -2.301 -13.552 6.694 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.939 -14.683 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.709 -11.909 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.956 -12.318 3.829 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.219 -12.361 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.849 -10.563 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.230 -10.126 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.492 -10.637 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.577 -12.924 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.245 -13.065 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.488 -14.198 5.850 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.753 -15.125 2.703 1.00 0.00 N ATOM 1505 CA GLN A 100 -2.144 -15.352 1.408 1.00 0.00 C ATOM 1506 C GLN A 100 -3.100 -14.849 0.340 1.00 0.00 C ATOM 1507 O GLN A 100 -3.943 -15.594 -0.161 1.00 0.00 O ATOM 1508 CB GLN A 100 -1.825 -16.835 1.183 1.00 0.00 C ATOM 1509 CG GLN A 100 -0.640 -17.086 0.249 1.00 0.00 C ATOM 1510 CD GLN A 100 -0.742 -16.348 -1.077 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -1.306 -16.858 -2.046 1.00 0.00 O ATOM 1512 NE2 GLN A 100 -0.181 -15.147 -1.134 1.00 0.00 N ATOM 0 H GLN A 100 -3.579 -15.695 2.887 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.198 -14.813 1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.619 -17.301 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.707 -17.327 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.279 -16.785 0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.562 -18.156 0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.277 -14.758 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.208 -14.612 -2.002 1.00 0.00 H new ATOM 1521 N THR A 101 -2.997 -13.570 0.036 1.00 0.00 N ATOM 1522 CA THR A 101 -3.875 -12.943 -0.928 1.00 0.00 C ATOM 1523 C THR A 101 -3.123 -12.646 -2.219 1.00 0.00 C ATOM 1524 O THR A 101 -1.909 -12.426 -2.200 1.00 0.00 O ATOM 1525 CB THR A 101 -4.472 -11.648 -0.348 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.421 -10.797 0.134 1.00 0.00 O ATOM 1527 CG2 THR A 101 -5.436 -11.965 0.787 1.00 0.00 C ATOM 0 H THR A 101 -2.307 -12.941 0.448 1.00 0.00 H new ATOM 0 HA THR A 101 -4.690 -13.632 -1.151 1.00 0.00 H new ATOM 0 HB THR A 101 -5.019 -11.135 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.735 -10.303 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.848 -11.037 1.184 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.246 -12.591 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.905 -12.494 1.578 1.00 0.00 H new ATOM 1535 N PRO A 102 -3.825 -12.675 -3.359 1.00 0.00 N ATOM 1536 CA PRO A 102 -3.209 -12.418 -4.656 1.00 0.00 C ATOM 1537 C PRO A 102 -2.704 -10.994 -4.798 1.00 0.00 C ATOM 1538 O PRO A 102 -3.478 -10.030 -4.812 1.00 0.00 O ATOM 1539 CB PRO A 102 -4.320 -12.696 -5.664 1.00 0.00 C ATOM 1540 CG PRO A 102 -5.593 -12.611 -4.891 1.00 0.00 C ATOM 1541 CD PRO A 102 -5.261 -12.982 -3.473 1.00 0.00 C ATOM 0 HA PRO A 102 -2.328 -13.043 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.305 -11.968 -6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.201 -13.680 -6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.010 -11.605 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.342 -13.287 -5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.851 -12.407 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.462 -14.035 -3.277 1.00 0.00 H new ATOM 1549 N TYR A 103 -1.398 -10.872 -4.901 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.775 -9.583 -5.121 1.00 0.00 C ATOM 1551 C TYR A 103 -0.987 -9.163 -6.566 1.00 0.00 C ATOM 1552 O TYR A 103 -0.555 -9.841 -7.495 1.00 0.00 O ATOM 1553 CB TYR A 103 0.716 -9.616 -4.757 1.00 0.00 C ATOM 1554 CG TYR A 103 1.410 -10.920 -5.089 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.921 -11.161 -6.358 1.00 0.00 C ATOM 1556 CD2 TYR A 103 1.553 -11.911 -4.126 1.00 0.00 C ATOM 1557 CE1 TYR A 103 2.552 -12.352 -6.658 1.00 0.00 C ATOM 1558 CE2 TYR A 103 2.183 -13.104 -4.416 1.00 0.00 C ATOM 1559 CZ TYR A 103 2.680 -13.321 -5.682 1.00 0.00 C ATOM 1560 OH TYR A 103 3.304 -14.513 -5.974 1.00 0.00 O ATOM 0 H TYR A 103 -0.744 -11.652 -4.836 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.242 -8.845 -4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.223 -8.805 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.822 -9.423 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.823 -10.404 -7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.164 -11.745 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.943 -12.525 -7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.286 -13.863 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 103 3.311 -15.083 -5.177 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.683 -8.057 -6.748 1.00 0.00 N ATOM 1571 CA HIS A 104 -2.093 -7.636 -8.077 1.00 0.00 C ATOM 1572 C HIS A 104 -1.037 -6.780 -8.748 1.00 0.00 C ATOM 1573 O HIS A 104 -0.244 -6.116 -8.079 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.432 -6.900 -8.025 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.616 -7.816 -7.966 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.913 -8.613 -6.878 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -5.576 -8.070 -8.884 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -6.008 -9.307 -7.133 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -6.429 -9.000 -8.342 1.00 0.00 N ATOM 0 H HIS A 104 -1.976 -7.434 -5.995 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.215 -8.536 -8.679 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.445 -6.246 -7.153 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.521 -6.261 -8.904 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -4.373 -8.659 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.657 -7.623 -9.864 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.479 -10.009 -6.461 1.00 0.00 H new ATOM 1588 N GLU A 105 -1.053 -6.828 -10.076 1.00 0.00 N ATOM 1589 CA GLU A 105 -0.127 -6.090 -10.930 1.00 0.00 C ATOM 1590 C GLU A 105 -0.051 -4.616 -10.539 1.00 0.00 C ATOM 1591 O GLU A 105 1.002 -4.111 -10.152 1.00 0.00 O ATOM 1592 CB GLU A 105 -0.598 -6.210 -12.383 1.00 0.00 C ATOM 1593 CG GLU A 105 0.136 -5.307 -13.358 1.00 0.00 C ATOM 1594 CD GLU A 105 -0.695 -5.005 -14.586 1.00 0.00 C ATOM 1595 OE1 GLU A 105 -1.475 -4.029 -14.554 1.00 0.00 O ATOM 1596 OE2 GLU A 105 -0.589 -5.754 -15.582 1.00 0.00 O ATOM 0 H GLU A 105 -1.723 -7.392 -10.600 1.00 0.00 H new ATOM 0 HA GLU A 105 0.869 -6.516 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.480 -7.244 -12.706 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.663 -5.982 -12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.399 -4.374 -12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.070 -5.782 -13.660 1.00 0.00 H new ATOM 1603 N THR A 106 -1.177 -3.937 -10.643 1.00 0.00 N ATOM 1604 CA THR A 106 -1.226 -2.510 -10.404 1.00 0.00 C ATOM 1605 C THR A 106 -2.358 -2.160 -9.451 1.00 0.00 C ATOM 1606 O THR A 106 -3.237 -2.985 -9.188 1.00 0.00 O ATOM 1607 CB THR A 106 -1.408 -1.735 -11.727 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.368 -2.405 -12.562 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.084 -1.594 -12.469 1.00 0.00 C ATOM 0 H THR A 106 -2.074 -4.354 -10.893 1.00 0.00 H new ATOM 0 HA THR A 106 -0.278 -2.220 -9.952 1.00 0.00 H new ATOM 0 HB THR A 106 -1.772 -0.736 -11.487 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.899 -2.948 -13.229 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.243 -1.044 -13.397 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.627 -1.054 -11.844 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.312 -2.583 -12.697 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.332 -0.938 -8.935 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.397 -0.461 -8.062 1.00 0.00 C ATOM 1619 C VAL A 107 -4.698 -0.330 -8.849 1.00 0.00 C ATOM 1620 O VAL A 107 -5.784 -0.479 -8.302 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.040 0.896 -7.403 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.856 1.982 -8.451 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.103 1.301 -6.386 1.00 0.00 C ATOM 0 H VAL A 107 -1.588 -0.261 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.523 -1.194 -7.265 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.093 0.773 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.606 2.923 -7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.050 1.701 -9.128 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.780 2.102 -9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.831 2.256 -5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.067 1.396 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.171 0.540 -5.608 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.567 -0.086 -10.145 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.722 0.053 -11.020 1.00 0.00 C ATOM 1635 C TYR A 108 -6.462 -1.273 -11.137 1.00 0.00 C ATOM 1636 O TYR A 108 -7.672 -1.337 -10.932 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.285 0.551 -12.400 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.646 1.920 -12.362 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.428 3.067 -12.322 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.266 2.069 -12.359 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -4.857 4.320 -12.282 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -2.687 3.321 -12.320 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.487 4.441 -12.280 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.916 5.689 -12.234 1.00 0.00 O ATOM 0 H TYR A 108 -3.668 0.020 -10.615 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.402 0.787 -10.588 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.580 -0.161 -12.830 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.152 0.579 -13.060 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.504 2.975 -12.322 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.636 1.192 -12.388 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.481 5.201 -12.252 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.612 3.422 -12.321 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.572 6.337 -11.903 1.00 0.00 H new ATOM 1654 N SER A 109 -5.720 -2.335 -11.431 1.00 0.00 N ATOM 1655 CA SER A 109 -6.304 -3.662 -11.561 1.00 0.00 C ATOM 1656 C SER A 109 -6.776 -4.187 -10.204 1.00 0.00 C ATOM 1657 O SER A 109 -7.803 -4.858 -10.109 1.00 0.00 O ATOM 1658 CB SER A 109 -5.288 -4.617 -12.192 1.00 0.00 C ATOM 1659 OG SER A 109 -3.995 -4.424 -11.639 1.00 0.00 O ATOM 0 H SER A 109 -4.712 -2.301 -11.584 1.00 0.00 H new ATOM 0 HA SER A 109 -7.176 -3.598 -12.212 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.605 -5.648 -12.033 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.254 -4.457 -13.270 1.00 0.00 H new ATOM 0 HG SER A 109 -3.522 -3.732 -12.147 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.026 -3.868 -9.155 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.382 -4.283 -7.803 1.00 0.00 C ATOM 1667 C LEU A 110 -7.665 -3.604 -7.335 1.00 0.00 C ATOM 1668 O LEU A 110 -8.600 -4.265 -6.888 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.250 -3.954 -6.829 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.574 -4.218 -5.358 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.716 -5.710 -5.102 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.503 -3.621 -4.460 1.00 0.00 C ATOM 0 H LEU A 110 -5.166 -3.322 -9.215 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.545 -5.361 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.372 -4.538 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.983 -2.904 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.524 -3.738 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.946 -5.878 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.521 -6.110 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.782 -6.213 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.751 -3.819 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.538 -4.071 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.451 -2.544 -4.622 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.710 -2.287 -7.453 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.848 -1.516 -6.975 1.00 0.00 C ATOM 1686 C LEU A 111 -10.094 -1.872 -7.776 1.00 0.00 C ATOM 1687 O LEU A 111 -11.215 -1.772 -7.284 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.557 -0.017 -7.082 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.395 0.881 -6.170 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.079 0.594 -4.708 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.139 2.344 -6.490 1.00 0.00 C ATOM 0 H LEU A 111 -6.970 -1.727 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.023 -1.761 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.503 0.148 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.715 0.294 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.449 0.667 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.683 1.241 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.305 -0.449 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.022 0.784 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.742 2.971 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.083 2.570 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.408 2.542 -7.528 1.00 0.00 H new ATOM 1703 N ASP A 112 -9.879 -2.324 -9.004 1.00 0.00 N ATOM 1704 CA ASP A 112 -10.972 -2.715 -9.887 1.00 0.00 C ATOM 1705 C ASP A 112 -11.657 -3.982 -9.381 1.00 0.00 C ATOM 1706 O ASP A 112 -12.853 -4.185 -9.593 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.447 -2.932 -11.309 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.522 -3.390 -12.274 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.468 -2.620 -12.534 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.427 -4.527 -12.783 1.00 0.00 O ATOM 0 H ASP A 112 -8.951 -2.430 -9.414 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.708 -1.911 -9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.010 -2.003 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.648 -3.673 -11.286 1.00 0.00 H new ATOM 1715 N THR A 113 -10.898 -4.824 -8.693 1.00 0.00 N ATOM 1716 CA THR A 113 -11.432 -6.075 -8.173 1.00 0.00 C ATOM 1717 C THR A 113 -12.070 -5.879 -6.798 1.00 0.00 C ATOM 1718 O THR A 113 -12.763 -6.760 -6.293 1.00 0.00 O ATOM 1719 CB THR A 113 -10.333 -7.160 -8.072 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.291 -6.750 -7.178 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.735 -7.453 -9.434 1.00 0.00 C ATOM 0 H THR A 113 -9.913 -4.664 -8.482 1.00 0.00 H new ATOM 0 HA THR A 113 -12.196 -6.406 -8.877 1.00 0.00 H new ATOM 0 HB THR A 113 -10.802 -8.065 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.364 -5.787 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.965 -8.219 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.517 -7.808 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.293 -6.543 -9.840 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.843 -4.717 -6.198 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.274 -4.477 -4.826 1.00 0.00 C ATOM 1731 C LEU A 114 -13.343 -3.389 -4.745 1.00 0.00 C ATOM 1732 O LEU A 114 -14.159 -3.376 -3.821 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.066 -4.095 -3.972 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.948 -5.141 -3.946 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.701 -4.576 -3.292 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.410 -6.397 -3.221 1.00 0.00 C ATOM 0 H LEU A 114 -11.366 -3.930 -6.637 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.719 -5.397 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.658 -3.155 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.402 -3.916 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.703 -5.407 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.919 -5.335 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.358 -3.707 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.930 -4.279 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.603 -7.130 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.683 -6.146 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.275 -6.816 -3.735 1.00 0.00 H new ATOM 1748 N SER A 115 -13.341 -2.484 -5.713 1.00 0.00 N ATOM 1749 CA SER A 115 -14.284 -1.382 -5.723 1.00 0.00 C ATOM 1750 C SER A 115 -15.093 -1.382 -7.020 1.00 0.00 C ATOM 1751 O SER A 115 -14.594 -0.992 -8.076 1.00 0.00 O ATOM 1752 CB SER A 115 -13.541 -0.048 -5.548 1.00 0.00 C ATOM 1753 OG SER A 115 -14.441 1.043 -5.401 1.00 0.00 O ATOM 0 H SER A 115 -12.694 -2.494 -6.502 1.00 0.00 H new ATOM 0 HA SER A 115 -14.976 -1.506 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.893 -0.105 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 115 -12.898 0.125 -6.411 1.00 0.00 H new ATOM 0 HG SER A 115 -13.956 1.886 -5.524 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.354 -1.833 -6.955 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.281 -1.814 -8.097 1.00 0.00 C ATOM 1761 C PRO A 116 -17.789 -0.407 -8.398 1.00 0.00 C ATOM 1762 O PRO A 116 -18.823 -0.228 -9.041 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.442 -2.716 -7.647 1.00 0.00 C ATOM 1764 CG PRO A 116 -17.996 -3.352 -6.369 1.00 0.00 C ATOM 1765 CD PRO A 116 -16.981 -2.424 -5.770 1.00 0.00 C ATOM 0 HA PRO A 116 -16.799 -2.153 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.352 -2.135 -7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.666 -3.470 -8.401 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -18.838 -3.497 -5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -17.563 -4.335 -6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.446 -1.668 -5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.259 -2.957 -5.152 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.063 0.584 -7.909 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.330 1.969 -8.239 1.00 0.00 C ATOM 1775 C ALA A 117 -16.119 2.576 -8.935 1.00 0.00 C ATOM 1776 O ALA A 117 -16.123 3.748 -9.309 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.681 2.755 -6.985 1.00 0.00 C ATOM 0 H ALA A 117 -16.276 0.450 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.182 2.015 -8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.879 3.794 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.568 2.324 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.848 2.712 -6.283 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.081 1.757 -9.102 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.845 2.184 -9.747 1.00 0.00 C ATOM 1785 C TYR A 118 -14.090 2.527 -11.211 1.00 0.00 C ATOM 1786 O TYR A 118 -13.664 3.575 -11.694 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.787 1.078 -9.628 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.550 1.293 -10.478 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.540 2.155 -10.072 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.395 0.625 -11.687 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.414 2.349 -10.851 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.272 0.812 -12.469 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.285 1.672 -12.047 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.164 1.861 -12.821 1.00 0.00 O ATOM 0 H TYR A 118 -15.075 0.784 -8.795 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.482 3.081 -9.245 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.484 0.994 -8.584 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.242 0.127 -9.906 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.635 2.682 -9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.167 -0.053 -12.021 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.639 3.027 -10.525 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.169 0.286 -13.407 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.228 1.311 -13.629 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.791 1.638 -11.901 1.00 0.00 N ATOM 1805 CA ARG A 119 -15.090 1.820 -13.318 1.00 0.00 C ATOM 1806 C ARG A 119 -15.946 3.062 -13.506 1.00 0.00 C ATOM 1807 O ARG A 119 -15.666 3.917 -14.351 1.00 0.00 O ATOM 1808 CB ARG A 119 -15.847 0.606 -13.876 1.00 0.00 C ATOM 1809 CG ARG A 119 -15.185 -0.741 -13.618 1.00 0.00 C ATOM 1810 CD ARG A 119 -15.503 -1.254 -12.221 1.00 0.00 C ATOM 1811 NE ARG A 119 -16.928 -1.122 -11.917 1.00 0.00 N ATOM 1812 CZ ARG A 119 -17.768 -2.147 -11.793 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -17.328 -3.397 -11.883 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -19.052 -1.908 -11.572 1.00 0.00 N ATOM 0 H ARG A 119 -15.166 0.778 -11.501 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.147 1.929 -13.854 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -16.847 0.591 -13.444 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -15.967 0.735 -14.952 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -15.525 -1.464 -14.359 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -14.106 -0.647 -13.736 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.207 -2.300 -12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -14.919 -0.699 -11.486 1.00 0.00 H new ATOM 0 HE ARG A 119 -17.303 -0.182 -11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -16.338 -3.579 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -17.980 -4.175 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -19.387 -0.947 -11.499 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -19.706 -2.685 -11.475 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.985 3.142 -12.691 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.925 4.246 -12.699 1.00 0.00 C ATOM 1830 C GLU A 120 -17.213 5.572 -12.437 1.00 0.00 C ATOM 1831 O GLU A 120 -17.424 6.552 -13.151 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.011 4.011 -11.639 1.00 0.00 C ATOM 1833 CG GLU A 120 -19.981 2.866 -11.952 1.00 0.00 C ATOM 1834 CD GLU A 120 -19.351 1.477 -11.942 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -18.235 1.310 -11.401 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -19.977 0.539 -12.483 1.00 0.00 O ATOM 0 H GLU A 120 -17.201 2.429 -11.994 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.388 4.299 -13.685 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -18.528 3.807 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.584 4.930 -11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -20.793 2.887 -11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -20.425 3.042 -12.932 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.360 5.589 -11.418 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.617 6.791 -11.059 1.00 0.00 C ATOM 1845 C ALA A 121 -14.644 7.181 -12.166 1.00 0.00 C ATOM 1846 O ALA A 121 -14.506 8.358 -12.493 1.00 0.00 O ATOM 1847 CB ALA A 121 -14.873 6.588 -9.751 1.00 0.00 C ATOM 0 H ALA A 121 -16.166 4.782 -10.825 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.332 7.603 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -14.324 7.496 -9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.586 6.364 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.174 5.759 -9.855 1.00 0.00 H new ATOM 1853 N PHE A 122 -13.982 6.187 -12.748 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.035 6.435 -13.826 1.00 0.00 C ATOM 1855 C PHE A 122 -13.749 7.054 -15.026 1.00 0.00 C ATOM 1856 O PHE A 122 -13.292 8.050 -15.588 1.00 0.00 O ATOM 1857 CB PHE A 122 -12.331 5.137 -14.232 1.00 0.00 C ATOM 1858 CG PHE A 122 -11.226 5.334 -15.230 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -10.001 5.844 -14.828 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -11.409 5.010 -16.565 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -8.981 6.029 -15.741 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -10.393 5.192 -17.482 1.00 0.00 C ATOM 1863 CZ PHE A 122 -9.176 5.704 -17.071 1.00 0.00 C ATOM 0 H PHE A 122 -14.084 5.205 -12.492 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.281 7.137 -13.470 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.922 4.662 -13.340 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.067 4.450 -14.650 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.843 6.099 -13.791 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.358 4.610 -16.892 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.031 6.427 -15.416 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -10.549 4.935 -18.519 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.380 5.850 -17.786 1.00 0.00 H new