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 104 HIS : no HD1:sc= -1.42 K(o=-0.26,f=-2.8!) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 113 THR OG1 : rot -8:sc= 1.17 USER MOD Set 2.1: A 54 SER OG : rot 153:sc= -0.446 USER MOD Set 2.2: A 67 ASN : amide:sc= 0.24 K(o=0.026,f=-1.8) USER MOD Set 2.3: A 77 CYS SG : rot 64:sc= 0.231 USER MOD Set 3.1: A 70 THR OG1 : rot -70:sc= 0.57 USER MOD Set 3.2: A 74 ASN : amide:sc= -0.0191 K(o=-1.8,f=-4.1!) USER MOD Set 3.3: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.4: A 115 SER OG : rot -100:sc= -2.39! USER MOD Single : A 33 MET CE :methyl 161:sc= -0.213 (180deg=-1.05) USER MOD Single : A 42 ASN :FLIP amide:sc=-0.00948 F(o=-1.2!,f=-0.0095) USER MOD Single : A 49 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.5!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0535 F(o=-1.6!,f=-0.054) USER MOD Single : A 51 MET CE :methyl -139:sc= -0.0141 (180deg=-1.72!) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc=-0.00354 (180deg=-0.123) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 28:sc= -0.0499 USER MOD Single : A 65 TYR OH : rot 35:sc= 1.26 USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 1.22 (180deg=1.06) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 2.43 (180deg=2.38) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.737 K(o=0.74,f=-4!) USER MOD Single : A 98 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.12) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot -136:sc= 1.37 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -83:sc= 1.25 USER MOD Single : A 108 TYR OH : rot 40:sc= 1.3 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.89 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.126 4.925 -4.518 1.00 0.00 N ATOM 439 CA ASP A 32 11.522 4.984 -3.186 1.00 0.00 C ATOM 440 C ASP A 32 10.034 4.661 -3.250 1.00 0.00 C ATOM 441 O ASP A 32 9.257 5.406 -3.850 1.00 0.00 O ATOM 442 CB ASP A 32 11.704 6.367 -2.555 1.00 0.00 C ATOM 443 CG ASP A 32 13.156 6.764 -2.383 1.00 0.00 C ATOM 444 OD1 ASP A 32 13.821 6.229 -1.477 1.00 0.00 O ATOM 445 OD2 ASP A 32 13.627 7.644 -3.133 1.00 0.00 O ATOM 0 HA ASP A 32 12.029 4.241 -2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.203 7.110 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.213 6.381 -1.582 1.00 0.00 H new ATOM 450 N MET A 33 9.632 3.560 -2.616 1.00 0.00 N ATOM 451 CA MET A 33 8.235 3.135 -2.640 1.00 0.00 C ATOM 452 C MET A 33 7.354 4.139 -1.903 1.00 0.00 C ATOM 453 O MET A 33 6.143 4.170 -2.089 1.00 0.00 O ATOM 454 CB MET A 33 8.085 1.753 -2.005 1.00 0.00 C ATOM 455 CG MET A 33 6.848 1.003 -2.461 1.00 0.00 C ATOM 456 SD MET A 33 6.862 0.666 -4.231 1.00 0.00 S ATOM 457 CE MET A 33 8.428 -0.185 -4.385 1.00 0.00 C ATOM 0 H MET A 33 10.251 2.950 -2.082 1.00 0.00 H new ATOM 0 HA MET A 33 7.915 3.084 -3.681 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.967 1.157 -2.240 1.00 0.00 H new ATOM 0 HB3 MET A 33 8.054 1.863 -0.921 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.775 0.062 -1.915 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.961 1.585 -2.212 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.445 -0.750 -5.317 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.239 0.543 -4.388 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.556 -0.867 -3.544 1.00 0.00 H new ATOM 467 N ARG A 34 7.978 4.958 -1.064 1.00 0.00 N ATOM 468 CA ARG A 34 7.266 5.980 -0.303 1.00 0.00 C ATOM 469 C ARG A 34 6.579 6.963 -1.259 1.00 0.00 C ATOM 470 O ARG A 34 5.443 7.384 -1.031 1.00 0.00 O ATOM 471 CB ARG A 34 8.259 6.711 0.615 1.00 0.00 C ATOM 472 CG ARG A 34 7.634 7.386 1.834 1.00 0.00 C ATOM 473 CD ARG A 34 6.896 8.668 1.475 1.00 0.00 C ATOM 474 NE ARG A 34 6.342 9.332 2.656 1.00 0.00 N ATOM 475 CZ ARG A 34 5.599 10.436 2.610 1.00 0.00 C ATOM 476 NH1 ARG A 34 5.319 11.006 1.449 1.00 0.00 N ATOM 477 NH2 ARG A 34 5.146 10.981 3.730 1.00 0.00 N ATOM 0 H ARG A 34 8.983 4.934 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 34 6.496 5.513 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.007 5.996 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.784 7.466 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.942 6.694 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.414 7.611 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.578 9.348 0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.091 8.439 0.777 1.00 0.00 H new ATOM 0 HE ARG A 34 6.537 8.924 3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.673 10.600 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.749 11.852 1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.366 10.555 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.577 11.827 3.692 1.00 0.00 H new ATOM 491 N LEU A 35 7.265 7.289 -2.348 1.00 0.00 N ATOM 492 CA LEU A 35 6.761 8.256 -3.319 1.00 0.00 C ATOM 493 C LEU A 35 5.721 7.605 -4.201 1.00 0.00 C ATOM 494 O LEU A 35 4.656 8.175 -4.448 1.00 0.00 O ATOM 495 CB LEU A 35 7.898 8.758 -4.196 1.00 0.00 C ATOM 496 CG LEU A 35 9.256 8.736 -3.526 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.354 8.936 -4.558 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.339 9.799 -2.441 1.00 0.00 C ATOM 0 H LEU A 35 8.177 6.896 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 35 6.318 9.092 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.941 8.149 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.677 9.778 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 35 9.394 7.762 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.325 8.918 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.308 8.136 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.217 9.897 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.323 9.765 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.181 10.783 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.573 9.612 -1.689 1.00 0.00 H new ATOM 510 N GLU A 36 6.047 6.402 -4.667 1.00 0.00 N ATOM 511 CA GLU A 36 5.134 5.621 -5.489 1.00 0.00 C ATOM 512 C GLU A 36 3.833 5.402 -4.739 1.00 0.00 C ATOM 513 O GLU A 36 2.755 5.369 -5.332 1.00 0.00 O ATOM 514 CB GLU A 36 5.757 4.268 -5.853 1.00 0.00 C ATOM 515 CG GLU A 36 7.142 4.372 -6.475 1.00 0.00 C ATOM 516 CD GLU A 36 7.178 5.298 -7.671 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.674 4.914 -8.746 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.715 6.416 -7.543 1.00 0.00 O ATOM 0 H GLU A 36 6.942 5.947 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 36 4.937 6.170 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.819 3.654 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.096 3.750 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.847 4.728 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.474 3.380 -6.779 1.00 0.00 H new ATOM 525 N ALA A 37 3.942 5.287 -3.421 1.00 0.00 N ATOM 526 CA ALA A 37 2.772 5.077 -2.581 1.00 0.00 C ATOM 527 C ALA A 37 1.874 6.304 -2.615 1.00 0.00 C ATOM 528 O ALA A 37 0.669 6.203 -2.851 1.00 0.00 O ATOM 529 CB ALA A 37 3.186 4.767 -1.150 1.00 0.00 C ATOM 0 H ALA A 37 4.825 5.336 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 37 2.217 4.223 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.296 4.614 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.797 3.864 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.762 5.601 -0.749 1.00 0.00 H new ATOM 535 N GLU A 38 2.484 7.464 -2.393 1.00 0.00 N ATOM 536 CA GLU A 38 1.779 8.738 -2.423 1.00 0.00 C ATOM 537 C GLU A 38 1.156 8.975 -3.799 1.00 0.00 C ATOM 538 O GLU A 38 0.012 9.426 -3.906 1.00 0.00 O ATOM 539 CB GLU A 38 2.751 9.868 -2.069 1.00 0.00 C ATOM 540 CG GLU A 38 2.157 11.263 -2.182 1.00 0.00 C ATOM 541 CD GLU A 38 3.142 12.339 -1.782 1.00 0.00 C ATOM 542 OE1 GLU A 38 4.224 12.421 -2.404 1.00 0.00 O ATOM 543 OE2 GLU A 38 2.844 13.110 -0.843 1.00 0.00 O ATOM 0 H GLU A 38 3.480 7.546 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 38 0.974 8.718 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.107 9.719 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.620 9.802 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.831 11.435 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.271 11.331 -1.550 1.00 0.00 H new ATOM 550 N ALA A 39 1.911 8.643 -4.844 1.00 0.00 N ATOM 551 CA ALA A 39 1.448 8.810 -6.220 1.00 0.00 C ATOM 552 C ALA A 39 0.192 7.983 -6.481 1.00 0.00 C ATOM 553 O ALA A 39 -0.762 8.467 -7.083 1.00 0.00 O ATOM 554 CB ALA A 39 2.548 8.432 -7.204 1.00 0.00 C ATOM 0 H ALA A 39 2.851 8.255 -4.763 1.00 0.00 H new ATOM 0 HA ALA A 39 1.197 9.861 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.185 8.563 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.416 9.072 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.831 7.391 -7.051 1.00 0.00 H new ATOM 560 N VAL A 40 0.200 6.737 -6.016 1.00 0.00 N ATOM 561 CA VAL A 40 -0.955 5.855 -6.150 1.00 0.00 C ATOM 562 C VAL A 40 -2.153 6.396 -5.368 1.00 0.00 C ATOM 563 O VAL A 40 -3.268 6.478 -5.892 1.00 0.00 O ATOM 564 CB VAL A 40 -0.624 4.422 -5.663 1.00 0.00 C ATOM 565 CG1 VAL A 40 -1.879 3.572 -5.560 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.380 3.761 -6.594 1.00 0.00 C ATOM 0 H VAL A 40 0.997 6.314 -5.541 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.211 5.817 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.185 4.502 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.614 2.572 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.570 4.028 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.354 3.505 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.601 2.755 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.038 3.705 -7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.298 4.348 -6.615 1.00 0.00 H new ATOM 576 N VAL A 41 -1.905 6.784 -4.123 1.00 0.00 N ATOM 577 CA VAL A 41 -2.951 7.301 -3.248 1.00 0.00 C ATOM 578 C VAL A 41 -3.665 8.500 -3.870 1.00 0.00 C ATOM 579 O VAL A 41 -4.890 8.591 -3.837 1.00 0.00 O ATOM 580 CB VAL A 41 -2.370 7.703 -1.873 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.381 8.492 -1.056 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.919 6.471 -1.105 1.00 0.00 C ATOM 0 H VAL A 41 -0.980 6.750 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.677 6.500 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.506 8.343 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.942 8.760 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.656 9.399 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.270 7.884 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.513 6.773 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.770 5.808 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.151 5.948 -1.675 1.00 0.00 H new ATOM 592 N ASN A 42 -2.900 9.407 -4.454 1.00 0.00 N ATOM 593 CA ASN A 42 -3.469 10.629 -5.004 1.00 0.00 C ATOM 594 C ASN A 42 -3.954 10.431 -6.439 1.00 0.00 C ATOM 595 O ASN A 42 -4.451 11.368 -7.066 1.00 0.00 O ATOM 596 CB ASN A 42 -2.449 11.769 -4.948 1.00 0.00 C ATOM 597 CG ASN A 42 -2.084 12.169 -3.526 1.00 0.00 C ATOM 598 OD1 ASN A 42 -3.022 12.024 -2.599 1.00 0.00 O flip ATOM 599 ND2 ASN A 42 -0.965 12.608 -3.260 1.00 0.00 N flip ATOM 0 H ASN A 42 -1.889 9.323 -4.560 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.332 10.891 -4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.546 11.468 -5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.852 12.636 -5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.267 12.707 -3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.736 12.873 -2.302 1.00 0.00 H new ATOM 606 N ASP A 43 -3.828 9.216 -6.951 1.00 0.00 N ATOM 607 CA ASP A 43 -4.236 8.926 -8.325 1.00 0.00 C ATOM 608 C ASP A 43 -5.668 8.408 -8.369 1.00 0.00 C ATOM 609 O ASP A 43 -6.472 8.848 -9.187 1.00 0.00 O ATOM 610 CB ASP A 43 -3.300 7.900 -8.962 1.00 0.00 C ATOM 611 CG ASP A 43 -3.531 7.749 -10.454 1.00 0.00 C ATOM 612 OD1 ASP A 43 -4.467 7.026 -10.851 1.00 0.00 O ATOM 613 OD2 ASP A 43 -2.762 8.346 -11.240 1.00 0.00 O ATOM 0 H ASP A 43 -3.449 8.417 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.181 9.856 -8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.266 8.198 -8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.441 6.934 -8.476 1.00 0.00 H new ATOM 618 N VAL A 44 -5.983 7.479 -7.474 1.00 0.00 N ATOM 619 CA VAL A 44 -7.303 6.856 -7.450 1.00 0.00 C ATOM 620 C VAL A 44 -8.118 7.315 -6.242 1.00 0.00 C ATOM 621 O VAL A 44 -9.107 6.684 -5.873 1.00 0.00 O ATOM 622 CB VAL A 44 -7.193 5.316 -7.430 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.588 4.805 -8.727 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.370 4.850 -6.234 1.00 0.00 C ATOM 0 H VAL A 44 -5.343 7.140 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.814 7.169 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.198 4.904 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.519 3.718 -8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.219 5.102 -9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.592 5.228 -8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.305 3.762 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.368 5.274 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.848 5.181 -5.312 1.00 0.00 H new ATOM 634 N LEU A 45 -7.715 8.437 -5.656 1.00 0.00 N ATOM 635 CA LEU A 45 -8.369 8.974 -4.461 1.00 0.00 C ATOM 636 C LEU A 45 -9.864 9.221 -4.689 1.00 0.00 C ATOM 637 O LEU A 45 -10.668 9.105 -3.764 1.00 0.00 O ATOM 638 CB LEU A 45 -7.684 10.278 -4.036 1.00 0.00 C ATOM 639 CG LEU A 45 -8.218 10.919 -2.753 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.019 9.986 -1.570 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.531 12.254 -2.504 1.00 0.00 C ATOM 0 H LEU A 45 -6.932 8.999 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.274 8.231 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.619 10.083 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.780 10.999 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.287 11.098 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.404 10.458 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.553 9.053 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.956 9.777 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.921 12.699 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.457 12.097 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.723 12.924 -3.342 1.00 0.00 H new ATOM 653 N PHE A 46 -10.237 9.542 -5.923 1.00 0.00 N ATOM 654 CA PHE A 46 -11.629 9.866 -6.243 1.00 0.00 C ATOM 655 C PHE A 46 -12.472 8.608 -6.473 1.00 0.00 C ATOM 656 O PHE A 46 -13.681 8.695 -6.699 1.00 0.00 O ATOM 657 CB PHE A 46 -11.696 10.779 -7.473 1.00 0.00 C ATOM 658 CG PHE A 46 -11.124 10.177 -8.728 1.00 0.00 C ATOM 659 CD1 PHE A 46 -11.924 9.439 -9.587 1.00 0.00 C ATOM 660 CD2 PHE A 46 -9.790 10.357 -9.054 1.00 0.00 C ATOM 661 CE1 PHE A 46 -11.404 8.892 -10.744 1.00 0.00 C ATOM 662 CE2 PHE A 46 -9.265 9.814 -10.212 1.00 0.00 C ATOM 663 CZ PHE A 46 -10.073 9.081 -11.058 1.00 0.00 C ATOM 0 H PHE A 46 -9.600 9.586 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.047 10.390 -5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.737 11.047 -7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.163 11.704 -7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.967 9.290 -9.349 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.152 10.928 -8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -12.038 8.317 -11.402 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.223 9.963 -10.455 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.665 8.656 -11.963 1.00 0.00 H new ATOM 673 N ALA A 47 -11.836 7.444 -6.418 1.00 0.00 N ATOM 674 CA ALA A 47 -12.540 6.183 -6.620 1.00 0.00 C ATOM 675 C ALA A 47 -12.932 5.573 -5.281 1.00 0.00 C ATOM 676 O ALA A 47 -13.549 4.507 -5.219 1.00 0.00 O ATOM 677 CB ALA A 47 -11.681 5.213 -7.422 1.00 0.00 C ATOM 0 H ALA A 47 -10.837 7.347 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.450 6.382 -7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.223 4.278 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.451 5.649 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.754 5.017 -6.884 1.00 0.00 H new ATOM 683 N VAL A 48 -12.573 6.268 -4.209 1.00 0.00 N ATOM 684 CA VAL A 48 -12.856 5.818 -2.854 1.00 0.00 C ATOM 685 C VAL A 48 -13.289 7.004 -1.999 1.00 0.00 C ATOM 686 O VAL A 48 -13.356 8.133 -2.487 1.00 0.00 O ATOM 687 CB VAL A 48 -11.625 5.135 -2.204 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.193 3.904 -2.992 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.471 6.113 -2.073 1.00 0.00 C ATOM 0 H VAL A 48 -12.078 7.159 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.658 5.082 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.918 4.810 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.328 3.449 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.012 3.185 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.930 4.197 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.619 5.611 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.189 6.477 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.775 6.954 -1.450 1.00 0.00 H new ATOM 699 N ASN A 49 -13.591 6.751 -0.733 1.00 0.00 N ATOM 700 CA ASN A 49 -13.928 7.828 0.185 1.00 0.00 C ATOM 701 C ASN A 49 -12.660 8.559 0.586 1.00 0.00 C ATOM 702 O ASN A 49 -12.480 9.733 0.273 1.00 0.00 O ATOM 703 CB ASN A 49 -14.647 7.300 1.434 1.00 0.00 C ATOM 704 CG ASN A 49 -16.085 6.905 1.163 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.736 7.446 0.270 1.00 0.00 O ATOM 706 ND2 ASN A 49 -16.601 5.966 1.938 1.00 0.00 N ATOM 0 H ASN A 49 -13.609 5.818 -0.322 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.608 8.512 -0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.105 6.437 1.822 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.626 8.065 2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.568 5.669 1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.032 5.539 2.669 1.00 0.00 H new ATOM 713 N ASN A 50 -11.767 7.839 1.253 1.00 0.00 N ATOM 714 CA ASN A 50 -10.485 8.387 1.668 1.00 0.00 C ATOM 715 C ASN A 50 -9.381 7.369 1.438 1.00 0.00 C ATOM 716 O ASN A 50 -9.617 6.160 1.462 1.00 0.00 O ATOM 717 CB ASN A 50 -10.496 8.792 3.148 1.00 0.00 C ATOM 718 CG ASN A 50 -11.287 10.055 3.440 1.00 0.00 C ATOM 719 OD1 ASN A 50 -11.329 10.977 2.493 1.00 0.00 O flip ATOM 720 ND2 ASN A 50 -11.847 10.206 4.522 1.00 0.00 N flip ATOM 0 H ASN A 50 -11.911 6.865 1.520 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.301 9.278 1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.911 7.973 3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.468 8.935 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.794 9.474 5.230 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.365 11.064 4.713 1.00 0.00 H new ATOM 727 N MET A 51 -8.179 7.866 1.213 1.00 0.00 N ATOM 728 CA MET A 51 -7.023 7.016 0.996 1.00 0.00 C ATOM 729 C MET A 51 -5.766 7.778 1.400 1.00 0.00 C ATOM 730 O MET A 51 -5.631 8.961 1.081 1.00 0.00 O ATOM 731 CB MET A 51 -6.939 6.597 -0.475 1.00 0.00 C ATOM 732 CG MET A 51 -6.066 5.380 -0.708 1.00 0.00 C ATOM 733 SD MET A 51 -5.874 4.983 -2.452 1.00 0.00 S ATOM 734 CE MET A 51 -5.028 3.414 -2.327 1.00 0.00 C ATOM 0 H MET A 51 -7.977 8.865 1.176 1.00 0.00 H new ATOM 0 HA MET A 51 -7.115 6.115 1.602 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.944 6.390 -0.843 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.551 7.430 -1.060 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.083 5.554 -0.269 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.499 4.524 -0.191 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.244 3.362 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.584 3.318 -1.336 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.739 2.603 -2.486 1.00 0.00 H new ATOM 744 N PHE A 52 -4.870 7.120 2.122 1.00 0.00 N ATOM 745 CA PHE A 52 -3.646 7.760 2.590 1.00 0.00 C ATOM 746 C PHE A 52 -2.606 6.711 2.960 1.00 0.00 C ATOM 747 O PHE A 52 -2.939 5.546 3.171 1.00 0.00 O ATOM 748 CB PHE A 52 -3.944 8.669 3.797 1.00 0.00 C ATOM 749 CG PHE A 52 -4.573 7.959 4.966 1.00 0.00 C ATOM 750 CD1 PHE A 52 -5.943 7.754 5.016 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.794 7.504 6.015 1.00 0.00 C ATOM 752 CE1 PHE A 52 -6.520 7.108 6.092 1.00 0.00 C ATOM 753 CE2 PHE A 52 -4.364 6.856 7.092 1.00 0.00 C ATOM 754 CZ PHE A 52 -5.729 6.657 7.131 1.00 0.00 C ATOM 0 H PHE A 52 -4.967 6.143 2.397 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.246 8.374 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.014 9.133 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.606 9.474 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.566 8.103 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.725 7.658 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.589 6.956 6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.743 6.505 7.903 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.178 6.150 7.972 1.00 0.00 H new ATOM 764 N VAL A 53 -1.345 7.121 3.021 1.00 0.00 N ATOM 765 CA VAL A 53 -0.288 6.232 3.472 1.00 0.00 C ATOM 766 C VAL A 53 -0.455 5.974 4.969 1.00 0.00 C ATOM 767 O VAL A 53 -0.719 6.901 5.740 1.00 0.00 O ATOM 768 CB VAL A 53 1.122 6.800 3.156 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.319 8.174 3.780 1.00 0.00 C ATOM 770 CG2 VAL A 53 2.209 5.840 3.615 1.00 0.00 C ATOM 0 H VAL A 53 -1.033 8.058 2.765 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.371 5.290 2.930 1.00 0.00 H new ATOM 0 HB VAL A 53 1.198 6.911 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.316 8.543 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.572 8.863 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.210 8.101 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.187 6.260 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.127 5.685 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.093 4.886 3.101 1.00 0.00 H new ATOM 780 N SER A 54 -0.334 4.714 5.364 1.00 0.00 N ATOM 781 CA SER A 54 -0.636 4.295 6.724 1.00 0.00 C ATOM 782 C SER A 54 0.214 5.026 7.754 1.00 0.00 C ATOM 783 O SER A 54 1.442 5.025 7.680 1.00 0.00 O ATOM 784 CB SER A 54 -0.422 2.795 6.851 1.00 0.00 C ATOM 785 OG SER A 54 -1.138 2.099 5.849 1.00 0.00 O ATOM 0 H SER A 54 -0.025 3.958 4.753 1.00 0.00 H new ATOM 0 HA SER A 54 -1.678 4.546 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.641 2.567 6.770 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.746 2.459 7.836 1.00 0.00 H new ATOM 0 HG SER A 54 -0.689 1.250 5.656 1.00 0.00 H new ATOM 791 N LYS A 55 -0.453 5.624 8.731 1.00 0.00 N ATOM 792 CA LYS A 55 0.221 6.386 9.773 1.00 0.00 C ATOM 793 C LYS A 55 0.484 5.505 10.991 1.00 0.00 C ATOM 794 O LYS A 55 1.101 5.938 11.960 1.00 0.00 O ATOM 795 CB LYS A 55 -0.634 7.592 10.171 1.00 0.00 C ATOM 796 CG LYS A 55 -1.055 8.458 8.990 1.00 0.00 C ATOM 797 CD LYS A 55 -2.046 9.534 9.403 1.00 0.00 C ATOM 798 CE LYS A 55 -1.392 10.621 10.242 1.00 0.00 C ATOM 799 NZ LYS A 55 -0.452 11.455 9.443 1.00 0.00 N ATOM 0 H LYS A 55 -1.468 5.595 8.824 1.00 0.00 H new ATOM 0 HA LYS A 55 1.178 6.738 9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.526 7.239 10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.076 8.204 10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.174 8.925 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.501 7.829 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.488 9.981 8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.859 9.080 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.163 11.258 10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.854 10.163 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.199 12.307 9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.408 10.908 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.908 11.734 8.551 1.00 0.00 H new ATOM 813 N SER A 56 0.009 4.266 10.929 1.00 0.00 N ATOM 814 CA SER A 56 0.181 3.322 12.020 1.00 0.00 C ATOM 815 C SER A 56 1.176 2.251 11.604 1.00 0.00 C ATOM 816 O SER A 56 1.447 1.303 12.340 1.00 0.00 O ATOM 817 CB SER A 56 -1.164 2.684 12.366 1.00 0.00 C ATOM 818 OG SER A 56 -2.172 3.673 12.517 1.00 0.00 O ATOM 0 H SER A 56 -0.501 3.893 10.128 1.00 0.00 H new ATOM 0 HA SER A 56 0.560 3.843 12.900 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.451 1.984 11.582 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.072 2.110 13.288 1.00 0.00 H new ATOM 0 HG SER A 56 -3.024 3.241 12.736 1.00 0.00 H new ATOM 824 N LEU A 57 1.725 2.431 10.415 1.00 0.00 N ATOM 825 CA LEU A 57 2.596 1.451 9.814 1.00 0.00 C ATOM 826 C LEU A 57 3.916 2.099 9.422 1.00 0.00 C ATOM 827 O LEU A 57 4.356 3.053 10.065 1.00 0.00 O ATOM 828 CB LEU A 57 1.884 0.825 8.612 1.00 0.00 C ATOM 829 CG LEU A 57 0.749 -0.135 8.988 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.213 -0.355 7.835 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.334 -1.459 9.412 1.00 0.00 C ATOM 0 H LEU A 57 1.576 3.263 9.844 1.00 0.00 H new ATOM 0 HA LEU A 57 2.825 0.659 10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.480 1.622 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.616 0.287 8.009 1.00 0.00 H new ATOM 0 HG LEU A 57 0.189 0.314 9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.001 -1.041 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.655 0.598 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.326 -0.780 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.529 -2.143 9.680 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.911 -1.882 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.985 -1.310 10.273 1.00 0.00 H new ATOM 843 N ARG A 58 4.547 1.590 8.383 1.00 0.00 N ATOM 844 CA ARG A 58 5.877 2.049 8.014 1.00 0.00 C ATOM 845 C ARG A 58 6.124 1.917 6.517 1.00 0.00 C ATOM 846 O ARG A 58 5.317 1.344 5.784 1.00 0.00 O ATOM 847 CB ARG A 58 6.941 1.252 8.779 1.00 0.00 C ATOM 848 CG ARG A 58 6.814 -0.252 8.603 1.00 0.00 C ATOM 849 CD ARG A 58 8.005 -0.997 9.185 1.00 0.00 C ATOM 850 NE ARG A 58 7.779 -2.441 9.191 1.00 0.00 N ATOM 851 CZ ARG A 58 7.832 -3.219 8.110 1.00 0.00 C ATOM 852 NH1 ARG A 58 8.166 -2.712 6.929 1.00 0.00 N ATOM 853 NH2 ARG A 58 7.564 -4.512 8.211 1.00 0.00 N ATOM 0 H ARG A 58 4.165 0.862 7.780 1.00 0.00 H new ATOM 0 HA ARG A 58 5.944 3.104 8.278 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.930 1.567 8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.871 1.493 9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.900 -0.597 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.723 -0.486 7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.898 -0.769 8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.190 -0.652 10.202 1.00 0.00 H new ATOM 0 HE ARG A 58 7.566 -2.884 10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.385 -1.719 6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.204 -3.315 6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.317 -4.912 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.605 -5.107 7.384 1.00 0.00 H new ATOM 867 N CYS A 59 7.246 2.457 6.080 1.00 0.00 N ATOM 868 CA CYS A 59 7.694 2.314 4.709 1.00 0.00 C ATOM 869 C CYS A 59 9.207 2.147 4.689 1.00 0.00 C ATOM 870 O CYS A 59 9.931 2.901 5.338 1.00 0.00 O ATOM 871 CB CYS A 59 7.274 3.528 3.877 1.00 0.00 C ATOM 872 SG CYS A 59 7.827 5.111 4.548 1.00 0.00 S ATOM 0 H CYS A 59 7.873 3.008 6.667 1.00 0.00 H new ATOM 0 HA CYS A 59 7.231 1.431 4.270 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.668 3.416 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.187 3.540 3.795 1.00 0.00 H new ATOM 0 HG CYS A 59 8.924 4.937 5.223 1.00 0.00 H new ATOM 878 N ALA A 60 9.679 1.150 3.964 1.00 0.00 N ATOM 879 CA ALA A 60 11.105 0.865 3.910 1.00 0.00 C ATOM 880 C ALA A 60 11.627 1.016 2.491 1.00 0.00 C ATOM 881 O ALA A 60 12.715 0.546 2.171 1.00 0.00 O ATOM 882 CB ALA A 60 11.382 -0.536 4.432 1.00 0.00 C ATOM 0 H ALA A 60 9.099 0.524 3.405 1.00 0.00 H new ATOM 0 HA ALA A 60 11.626 1.583 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.452 -0.736 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.042 -0.613 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.850 -1.264 3.820 1.00 0.00 H new ATOM 888 N ASP A 61 10.815 1.658 1.646 1.00 0.00 N ATOM 889 CA ASP A 61 11.148 1.914 0.234 1.00 0.00 C ATOM 890 C ASP A 61 11.117 0.629 -0.593 1.00 0.00 C ATOM 891 O ASP A 61 10.864 0.661 -1.793 1.00 0.00 O ATOM 892 CB ASP A 61 12.497 2.625 0.094 1.00 0.00 C ATOM 893 CG ASP A 61 12.521 3.949 0.834 1.00 0.00 C ATOM 894 OD1 ASP A 61 11.550 4.729 0.700 1.00 0.00 O ATOM 895 OD2 ASP A 61 13.501 4.212 1.564 1.00 0.00 O ATOM 0 H ASP A 61 9.901 2.019 1.920 1.00 0.00 H new ATOM 0 HA ASP A 61 10.380 2.580 -0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.288 1.981 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.709 2.796 -0.961 1.00 0.00 H new ATOM 900 N ASP A 62 11.391 -0.489 0.055 1.00 0.00 N ATOM 901 CA ASP A 62 11.122 -1.803 -0.511 1.00 0.00 C ATOM 902 C ASP A 62 9.641 -2.115 -0.343 1.00 0.00 C ATOM 903 O ASP A 62 9.049 -2.882 -1.099 1.00 0.00 O ATOM 904 CB ASP A 62 11.963 -2.864 0.208 1.00 0.00 C ATOM 905 CG ASP A 62 11.622 -4.282 -0.211 1.00 0.00 C ATOM 906 OD1 ASP A 62 12.224 -4.778 -1.188 1.00 0.00 O ATOM 907 OD2 ASP A 62 10.765 -4.916 0.442 1.00 0.00 O ATOM 0 H ASP A 62 11.805 -0.514 0.987 1.00 0.00 H new ATOM 0 HA ASP A 62 11.383 -1.809 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.018 -2.677 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.818 -2.765 1.284 1.00 0.00 H new ATOM 912 N VAL A 63 9.050 -1.472 0.656 1.00 0.00 N ATOM 913 CA VAL A 63 7.663 -1.705 1.021 1.00 0.00 C ATOM 914 C VAL A 63 7.008 -0.397 1.454 1.00 0.00 C ATOM 915 O VAL A 63 7.668 0.478 2.024 1.00 0.00 O ATOM 916 CB VAL A 63 7.548 -2.753 2.156 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.198 -2.249 3.438 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.095 -3.134 2.404 1.00 0.00 C ATOM 0 H VAL A 63 9.520 -0.775 1.234 1.00 0.00 H new ATOM 0 HA VAL A 63 7.146 -2.096 0.144 1.00 0.00 H new ATOM 0 HB VAL A 63 8.083 -3.647 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.102 -3.006 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.254 -2.048 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.704 -1.332 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.044 -3.871 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.530 -2.247 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.669 -3.557 1.494 1.00 0.00 H new ATOM 928 N ALA A 64 5.726 -0.256 1.160 1.00 0.00 N ATOM 929 CA ALA A 64 4.958 0.900 1.591 1.00 0.00 C ATOM 930 C ALA A 64 3.559 0.479 2.017 1.00 0.00 C ATOM 931 O ALA A 64 2.798 -0.068 1.221 1.00 0.00 O ATOM 932 CB ALA A 64 4.887 1.938 0.481 1.00 0.00 C ATOM 0 H ALA A 64 5.191 -0.935 0.619 1.00 0.00 H new ATOM 0 HA ALA A 64 5.461 1.348 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.308 2.796 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.895 2.261 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.407 1.502 -0.395 1.00 0.00 H new ATOM 938 N TYR A 65 3.234 0.715 3.275 1.00 0.00 N ATOM 939 CA TYR A 65 1.927 0.362 3.801 1.00 0.00 C ATOM 940 C TYR A 65 0.929 1.493 3.574 1.00 0.00 C ATOM 941 O TYR A 65 1.167 2.637 3.970 1.00 0.00 O ATOM 942 CB TYR A 65 2.040 0.008 5.276 1.00 0.00 C ATOM 943 CG TYR A 65 2.706 -1.335 5.502 1.00 0.00 C ATOM 944 CD1 TYR A 65 1.987 -2.518 5.368 1.00 0.00 C ATOM 945 CD2 TYR A 65 4.053 -1.422 5.827 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.595 -3.746 5.551 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.665 -2.646 6.015 1.00 0.00 C ATOM 948 CZ TYR A 65 3.932 -3.804 5.874 1.00 0.00 C ATOM 949 OH TYR A 65 4.539 -5.024 6.046 1.00 0.00 O ATOM 0 H TYR A 65 3.859 1.151 3.953 1.00 0.00 H new ATOM 0 HA TYR A 65 1.555 -0.513 3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.609 0.783 5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.045 -0.004 5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.937 -2.477 5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.632 -0.517 5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.024 -4.656 5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.713 -2.695 6.271 1.00 0.00 H new ATOM 0 HH TYR A 65 4.148 -5.674 5.425 1.00 0.00 H new ATOM 959 N ILE A 66 -0.178 1.168 2.917 1.00 0.00 N ATOM 960 CA ILE A 66 -1.182 2.158 2.548 1.00 0.00 C ATOM 961 C ILE A 66 -2.552 1.778 3.111 1.00 0.00 C ATOM 962 O ILE A 66 -2.937 0.607 3.089 1.00 0.00 O ATOM 963 CB ILE A 66 -1.285 2.287 1.009 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.068 2.684 0.412 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.358 3.294 0.618 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.070 2.759 -1.102 1.00 0.00 C ATOM 0 H ILE A 66 -0.404 0.217 2.627 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.872 3.114 2.970 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.570 1.315 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.362 3.653 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.821 1.964 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.411 3.366 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.322 2.968 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.110 4.270 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.062 3.046 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.192 1.785 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.658 3.500 -1.431 1.00 0.00 H new ATOM 978 N ASN A 67 -3.283 2.768 3.613 1.00 0.00 N ATOM 979 CA ASN A 67 -4.639 2.549 4.108 1.00 0.00 C ATOM 980 C ASN A 67 -5.650 3.150 3.142 1.00 0.00 C ATOM 981 O ASN A 67 -5.588 4.340 2.819 1.00 0.00 O ATOM 982 CB ASN A 67 -4.843 3.163 5.497 1.00 0.00 C ATOM 983 CG ASN A 67 -4.112 2.421 6.600 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.840 1.224 6.497 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.802 3.123 7.678 1.00 0.00 N ATOM 0 H ASN A 67 -2.959 3.732 3.688 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.789 1.472 4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.505 4.199 5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.909 3.179 5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.322 2.674 8.458 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.043 4.113 7.729 1.00 0.00 H new ATOM 992 N VAL A 68 -6.583 2.331 2.681 1.00 0.00 N ATOM 993 CA VAL A 68 -7.584 2.782 1.726 1.00 0.00 C ATOM 994 C VAL A 68 -8.993 2.468 2.221 1.00 0.00 C ATOM 995 O VAL A 68 -9.248 1.400 2.783 1.00 0.00 O ATOM 996 CB VAL A 68 -7.356 2.141 0.331 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.350 0.623 0.417 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.399 2.617 -0.669 1.00 0.00 C ATOM 0 H VAL A 68 -6.668 1.351 2.952 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.481 3.863 1.631 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.376 2.463 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.188 0.203 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.550 0.299 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.308 0.277 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.214 2.151 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.393 2.341 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.338 3.701 -0.770 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.896 3.415 2.029 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.296 3.226 2.381 1.00 0.00 C ATOM 1010 C GLU A 69 -12.166 3.581 1.184 1.00 0.00 C ATOM 1011 O GLU A 69 -12.287 4.750 0.814 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.677 4.084 3.592 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.111 3.875 4.056 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.463 4.719 5.261 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.916 5.866 5.075 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.295 4.239 6.402 1.00 0.00 O ATOM 0 H GLU A 69 -9.684 4.329 1.629 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.456 2.182 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.000 3.857 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.534 5.135 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.792 4.114 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.261 2.823 4.298 1.00 0.00 H new ATOM 1023 N THR A 70 -12.756 2.563 0.574 1.00 0.00 N ATOM 1024 CA THR A 70 -13.516 2.736 -0.654 1.00 0.00 C ATOM 1025 C THR A 70 -14.822 3.482 -0.410 1.00 0.00 C ATOM 1026 O THR A 70 -15.194 3.740 0.735 1.00 0.00 O ATOM 1027 CB THR A 70 -13.815 1.378 -1.305 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.558 0.555 -0.399 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.519 0.680 -1.681 1.00 0.00 C ATOM 0 H THR A 70 -12.722 1.602 0.913 1.00 0.00 H new ATOM 0 HA THR A 70 -12.901 3.333 -1.328 1.00 0.00 H new ATOM 0 HB THR A 70 -14.404 1.545 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.977 0.274 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.744 -0.282 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.964 1.299 -2.386 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.918 0.522 -0.786 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.514 3.826 -1.496 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.768 4.573 -1.412 1.00 0.00 C ATOM 1039 C LYS A 71 -17.809 3.789 -0.625 1.00 0.00 C ATOM 1040 O LYS A 71 -18.671 4.365 0.039 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.310 4.883 -2.809 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.285 5.516 -3.734 1.00 0.00 C ATOM 1043 CD LYS A 71 -16.911 5.946 -5.051 1.00 0.00 C ATOM 1044 CE LYS A 71 -17.855 7.121 -4.849 1.00 0.00 C ATOM 1045 NZ LYS A 71 -18.474 7.582 -6.120 1.00 0.00 N ATOM 0 H LYS A 71 -15.226 3.598 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.563 5.511 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.674 3.960 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.166 5.552 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.836 6.380 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.481 4.806 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.128 6.222 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.455 5.109 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.640 6.835 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.309 7.947 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.823 8.555 -6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.765 7.558 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.267 6.956 -6.367 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.695 2.469 -0.678 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.627 1.583 0.006 1.00 0.00 C ATOM 1061 C GLU A 72 -18.241 1.427 1.474 1.00 0.00 C ATOM 1062 O GLU A 72 -18.826 0.618 2.193 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.643 0.219 -0.680 1.00 0.00 C ATOM 1064 CG GLU A 72 -18.911 0.301 -2.174 1.00 0.00 C ATOM 1065 CD GLU A 72 -18.793 -1.041 -2.862 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -17.662 -1.546 -2.992 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -19.828 -1.596 -3.282 1.00 0.00 O ATOM 0 H GLU A 72 -16.959 1.985 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.624 2.021 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.685 -0.274 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.406 -0.405 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.911 0.702 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.208 1.000 -2.627 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.244 2.211 1.898 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.750 2.205 3.277 1.00 0.00 C ATOM 1076 C ARG A 73 -16.036 0.899 3.592 1.00 0.00 C ATOM 1077 O ARG A 73 -15.808 0.569 4.753 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.881 2.444 4.282 1.00 0.00 C ATOM 1079 CG ARG A 73 -18.536 3.807 4.142 1.00 0.00 C ATOM 1080 CD ARG A 73 -19.668 3.986 5.136 1.00 0.00 C ATOM 1081 NE ARG A 73 -20.368 5.251 4.941 1.00 0.00 N ATOM 1082 CZ ARG A 73 -21.693 5.365 4.893 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -22.461 4.297 5.074 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -22.249 6.549 4.686 1.00 0.00 N ATOM 0 H ARG A 73 -16.756 2.870 1.291 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.038 3.025 3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.639 1.671 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.486 2.341 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.790 4.587 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.919 3.925 3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.374 3.161 5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -19.271 3.943 6.150 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.809 6.098 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.036 3.387 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.476 4.387 5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.662 7.374 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -23.265 6.636 4.649 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.673 0.163 2.550 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.931 -1.071 2.723 1.00 0.00 C ATOM 1100 C ASN A 74 -13.451 -0.737 2.816 1.00 0.00 C ATOM 1101 O ASN A 74 -12.860 -0.213 1.867 1.00 0.00 O ATOM 1102 CB ASN A 74 -15.199 -2.034 1.564 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.845 -3.472 1.905 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -13.966 -3.736 2.724 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -15.525 -4.415 1.269 1.00 0.00 N ATOM 0 H ASN A 74 -15.881 0.401 1.580 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.253 -1.567 3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.252 -1.979 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.623 -1.719 0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.326 -5.399 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.247 -4.157 0.596 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.869 -1.010 3.968 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.507 -0.601 4.247 1.00 0.00 C ATOM 1114 C ARG A 75 -10.527 -1.730 3.967 1.00 0.00 C ATOM 1115 O ARG A 75 -10.791 -2.888 4.279 1.00 0.00 O ATOM 1116 CB ARG A 75 -11.394 -0.138 5.701 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.914 -1.159 6.702 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.915 -0.613 8.117 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.360 -1.616 9.083 1.00 0.00 N ATOM 1120 CZ ARG A 75 -12.142 -1.535 10.398 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -11.516 -0.481 10.908 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -12.547 -2.504 11.207 1.00 0.00 N ATOM 0 H ARG A 75 -13.322 -1.516 4.729 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.252 0.229 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.350 0.080 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.947 0.793 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.926 -1.455 6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.297 -2.056 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.912 -0.276 8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.568 0.258 8.170 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.868 -2.427 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.200 0.270 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.351 -0.423 11.913 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.029 -3.318 10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.377 -2.435 12.210 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.404 -1.383 3.365 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.362 -2.353 3.070 1.00 0.00 C ATOM 1138 C TYR A 76 -7.014 -1.818 3.528 1.00 0.00 C ATOM 1139 O TYR A 76 -6.798 -0.604 3.564 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.294 -2.659 1.568 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.597 -3.125 0.955 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.063 -4.421 1.147 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.353 -2.267 0.165 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.246 -4.845 0.569 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.537 -2.683 -0.411 1.00 0.00 C ATOM 1146 CZ TYR A 76 -11.979 -3.971 -0.207 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.156 -4.391 -0.785 1.00 0.00 O ATOM 0 H TYR A 76 -9.188 -0.431 3.069 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.602 -3.273 3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.962 -1.763 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.536 -3.425 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.493 -5.107 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.008 -1.257 -0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.594 -5.855 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.114 -2.001 -1.019 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.549 -3.655 -1.298 1.00 0.00 H new ATOM 1157 N CYS A 77 -6.119 -2.719 3.886 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.755 -2.344 4.212 1.00 0.00 C ATOM 1159 C CYS A 77 -3.819 -2.959 3.178 1.00 0.00 C ATOM 1160 O CYS A 77 -3.796 -4.182 2.996 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.389 -2.809 5.623 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.942 -1.977 6.314 1.00 0.00 S ATOM 0 H CYS A 77 -6.312 -3.718 3.959 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.658 -1.259 4.190 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.241 -2.643 6.282 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.204 -3.883 5.605 1.00 0.00 H new ATOM 0 HG CYS A 77 -3.193 -0.708 6.447 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.062 -2.116 2.492 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.268 -2.560 1.358 1.00 0.00 C ATOM 1170 C LEU A 78 -0.775 -2.513 1.653 1.00 0.00 C ATOM 1171 O LEU A 78 -0.249 -1.514 2.143 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.585 -1.703 0.128 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.057 -1.694 -0.294 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.258 -0.808 -1.511 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.540 -3.109 -0.576 1.00 0.00 C ATOM 0 H LEU A 78 -2.981 -1.121 2.701 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.532 -3.599 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.274 -0.678 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.985 -2.060 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.647 -1.287 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.310 -0.814 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.952 0.211 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.656 -1.184 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.588 -3.083 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.945 -3.543 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.434 -3.716 0.323 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.109 -3.611 1.347 1.00 0.00 N ATOM 1188 CA GLU A 79 1.333 -3.706 1.434 1.00 0.00 C ATOM 1189 C GLU A 79 1.922 -3.574 0.035 1.00 0.00 C ATOM 1190 O GLU A 79 1.927 -4.530 -0.744 1.00 0.00 O ATOM 1191 CB GLU A 79 1.729 -5.047 2.065 1.00 0.00 C ATOM 1192 CG GLU A 79 3.228 -5.268 2.196 1.00 0.00 C ATOM 1193 CD GLU A 79 3.569 -6.590 2.864 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.420 -7.649 2.218 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.001 -6.574 4.036 1.00 0.00 O ATOM 0 H GLU A 79 -0.560 -4.469 1.028 1.00 0.00 H new ATOM 0 HA GLU A 79 1.723 -2.905 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.277 -5.115 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.307 -5.854 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.684 -5.237 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.663 -4.451 2.772 1.00 0.00 H new ATOM 1202 N LEU A 80 2.359 -2.371 -0.300 1.00 0.00 N ATOM 1203 CA LEU A 80 2.952 -2.111 -1.601 1.00 0.00 C ATOM 1204 C LEU A 80 4.392 -2.604 -1.622 1.00 0.00 C ATOM 1205 O LEU A 80 5.240 -2.109 -0.877 1.00 0.00 O ATOM 1206 CB LEU A 80 2.883 -0.615 -1.925 1.00 0.00 C ATOM 1207 CG LEU A 80 3.461 -0.201 -3.283 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.763 -0.937 -4.416 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.336 1.305 -3.475 1.00 0.00 C ATOM 0 H LEU A 80 2.314 -1.557 0.313 1.00 0.00 H new ATOM 0 HA LEU A 80 2.391 -2.650 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.840 -0.301 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.412 -0.068 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 80 4.517 -0.471 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.190 -0.626 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.899 -2.011 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.699 -0.702 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.751 1.584 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.285 1.591 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.883 1.819 -2.685 1.00 0.00 H new ATOM 1221 N THR A 81 4.655 -3.587 -2.465 1.00 0.00 N ATOM 1222 CA THR A 81 5.965 -4.211 -2.532 1.00 0.00 C ATOM 1223 C THR A 81 6.465 -4.273 -3.971 1.00 0.00 C ATOM 1224 O THR A 81 5.850 -3.704 -4.875 1.00 0.00 O ATOM 1225 CB THR A 81 5.918 -5.636 -1.951 1.00 0.00 C ATOM 1226 OG1 THR A 81 4.826 -6.364 -2.532 1.00 0.00 O ATOM 1227 CG2 THR A 81 5.766 -5.605 -0.438 1.00 0.00 C ATOM 0 H THR A 81 3.973 -3.973 -3.118 1.00 0.00 H new ATOM 0 HA THR A 81 6.650 -3.603 -1.942 1.00 0.00 H new ATOM 0 HB THR A 81 6.858 -6.133 -2.192 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.802 -7.270 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.736 -6.625 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.612 -5.077 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.841 -5.091 -0.176 1.00 0.00 H new ATOM 1235 N GLU A 82 7.570 -4.979 -4.182 1.00 0.00 N ATOM 1236 CA GLU A 82 8.136 -5.157 -5.513 1.00 0.00 C ATOM 1237 C GLU A 82 7.191 -5.974 -6.399 1.00 0.00 C ATOM 1238 O GLU A 82 7.285 -5.945 -7.628 1.00 0.00 O ATOM 1239 CB GLU A 82 9.491 -5.861 -5.408 1.00 0.00 C ATOM 1240 CG GLU A 82 10.284 -5.850 -6.699 1.00 0.00 C ATOM 1241 CD GLU A 82 11.415 -6.854 -6.698 1.00 0.00 C ATOM 1242 OE1 GLU A 82 12.534 -6.505 -6.269 1.00 0.00 O ATOM 1243 OE2 GLU A 82 11.183 -8.002 -7.128 1.00 0.00 O ATOM 0 H GLU A 82 8.096 -5.441 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 82 8.271 -4.176 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.080 -5.382 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.331 -6.894 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.615 -6.063 -7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.690 -4.852 -6.863 1.00 0.00 H new ATOM 1250 N ALA A 83 6.279 -6.706 -5.764 1.00 0.00 N ATOM 1251 CA ALA A 83 5.318 -7.534 -6.483 1.00 0.00 C ATOM 1252 C ALA A 83 4.019 -6.772 -6.731 1.00 0.00 C ATOM 1253 O ALA A 83 3.045 -7.330 -7.235 1.00 0.00 O ATOM 1254 CB ALA A 83 5.045 -8.819 -5.712 1.00 0.00 C ATOM 0 H ALA A 83 6.186 -6.742 -4.749 1.00 0.00 H new ATOM 0 HA ALA A 83 5.747 -7.793 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.326 -9.427 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.974 -9.376 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.639 -8.575 -4.730 1.00 0.00 H new ATOM 1260 N GLY A 84 4.007 -5.497 -6.371 1.00 0.00 N ATOM 1261 CA GLY A 84 2.833 -4.678 -6.579 1.00 0.00 C ATOM 1262 C GLY A 84 2.060 -4.460 -5.297 1.00 0.00 C ATOM 1263 O GLY A 84 2.643 -4.397 -4.214 1.00 0.00 O ATOM 0 H GLY A 84 4.794 -5.014 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.132 -3.714 -6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.186 -5.153 -7.316 1.00 0.00 H new ATOM 1267 N LEU A 85 0.749 -4.354 -5.416 1.00 0.00 N ATOM 1268 CA LEU A 85 -0.107 -4.102 -4.267 1.00 0.00 C ATOM 1269 C LEU A 85 -0.687 -5.408 -3.747 1.00 0.00 C ATOM 1270 O LEU A 85 -1.310 -6.169 -4.489 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.243 -3.129 -4.618 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.825 -1.689 -4.945 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.273 -1.588 -6.358 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -2.000 -0.744 -4.765 1.00 0.00 C ATOM 0 H LEU A 85 0.250 -4.439 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 85 0.505 -3.644 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.786 -3.531 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.941 -3.101 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.034 -1.400 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.015 -0.557 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.599 -2.235 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.037 -1.900 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.688 0.273 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.810 -1.039 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.347 -0.787 -3.733 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.459 -5.653 -2.471 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.912 -6.862 -1.808 1.00 0.00 C ATOM 1288 C LYS A 86 -1.827 -6.504 -0.642 1.00 0.00 C ATOM 1289 O LYS A 86 -1.597 -5.515 0.047 1.00 0.00 O ATOM 1290 CB LYS A 86 0.317 -7.633 -1.326 1.00 0.00 C ATOM 1291 CG LYS A 86 0.044 -8.724 -0.309 1.00 0.00 C ATOM 1292 CD LYS A 86 1.346 -9.165 0.337 1.00 0.00 C ATOM 1293 CE LYS A 86 1.132 -9.968 1.610 1.00 0.00 C ATOM 1294 NZ LYS A 86 2.421 -10.219 2.310 1.00 0.00 N ATOM 0 H LYS A 86 0.050 -5.014 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.482 -7.485 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.806 -8.081 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.022 -6.924 -0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.645 -8.359 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.438 -9.573 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.914 -9.765 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.949 -8.286 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.454 -9.430 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.655 -10.918 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.237 -10.694 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.025 -10.824 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.903 -9.314 2.485 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.869 -7.289 -0.425 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.784 -7.032 0.675 1.00 0.00 C ATOM 1310 C VAL A 87 -3.301 -7.745 1.934 1.00 0.00 C ATOM 1311 O VAL A 87 -3.213 -8.974 1.965 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.222 -7.486 0.345 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.160 -7.250 1.524 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.738 -6.770 -0.894 1.00 0.00 C ATOM 0 H VAL A 87 -3.102 -8.105 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.801 -5.955 0.842 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.196 -8.557 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.165 -7.580 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.808 -7.814 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.179 -6.188 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.753 -7.103 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.739 -5.694 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.092 -6.999 -1.742 1.00 0.00 H new ATOM 1324 N VAL A 88 -2.966 -6.973 2.959 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.490 -7.543 4.214 1.00 0.00 C ATOM 1326 C VAL A 88 -3.537 -7.423 5.309 1.00 0.00 C ATOM 1327 O VAL A 88 -3.332 -7.881 6.431 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.177 -6.889 4.688 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.017 -7.341 3.823 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.287 -5.371 4.678 1.00 0.00 C ATOM 0 H VAL A 88 -3.014 -5.954 2.948 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.297 -8.597 4.017 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.993 -7.208 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.902 -6.870 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.084 -8.424 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.202 -7.054 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.347 -4.936 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.501 -5.028 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.092 -5.060 5.344 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.664 -6.815 4.980 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.718 -6.670 5.954 1.00 0.00 C ATOM 1342 C GLY A 89 -6.946 -5.997 5.385 1.00 0.00 C ATOM 1343 O GLY A 89 -6.889 -5.375 4.322 1.00 0.00 O ATOM 0 H GLY A 89 -4.866 -6.422 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.992 -7.653 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.349 -6.090 6.800 1.00 0.00 H new ATOM 1347 N TYR A 90 -8.050 -6.123 6.099 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.307 -5.502 5.710 1.00 0.00 C ATOM 1349 C TYR A 90 -9.764 -4.548 6.804 1.00 0.00 C ATOM 1350 O TYR A 90 -10.957 -4.373 7.058 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.374 -6.566 5.409 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.300 -7.804 6.278 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -9.415 -8.830 5.975 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -11.120 -7.955 7.389 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -9.344 -9.970 6.754 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -11.059 -9.092 8.174 1.00 0.00 C ATOM 1357 CZ TYR A 90 -10.171 -10.096 7.854 1.00 0.00 C ATOM 1358 OH TYR A 90 -10.110 -11.232 8.634 1.00 0.00 O ATOM 0 H TYR A 90 -8.102 -6.659 6.966 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.155 -4.931 4.794 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.359 -6.115 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.283 -6.866 4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.770 -8.736 5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.817 -7.171 7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.647 -10.757 6.505 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -11.704 -9.193 9.034 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.756 -11.160 9.367 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.782 -3.931 7.448 1.00 0.00 N ATOM 1369 CA ALA A 91 -9.020 -2.924 8.465 1.00 0.00 C ATOM 1370 C ALA A 91 -7.779 -2.056 8.613 1.00 0.00 C ATOM 1371 O ALA A 91 -6.686 -2.462 8.220 1.00 0.00 O ATOM 1372 CB ALA A 91 -9.378 -3.573 9.795 1.00 0.00 C ATOM 0 H ALA A 91 -7.794 -4.118 7.276 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.862 -2.302 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.552 -2.799 10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.281 -4.172 9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.558 -4.213 10.120 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.945 -0.868 9.175 1.00 0.00 N ATOM 1379 CA PHE A 92 -6.824 0.037 9.373 1.00 0.00 C ATOM 1380 C PHE A 92 -5.936 -0.478 10.500 1.00 0.00 C ATOM 1381 O PHE A 92 -6.437 -0.842 11.568 1.00 0.00 O ATOM 1382 CB PHE A 92 -7.316 1.453 9.695 1.00 0.00 C ATOM 1383 CG PHE A 92 -8.200 2.046 8.636 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.669 2.479 7.437 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -9.563 2.172 8.845 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.478 3.028 6.461 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -10.378 2.720 7.875 1.00 0.00 C ATOM 1388 CZ PHE A 92 -9.836 3.148 6.681 1.00 0.00 C ATOM 0 H PHE A 92 -8.843 -0.509 9.501 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.246 0.079 8.450 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.861 1.432 10.639 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.453 2.103 9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.608 2.387 7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.993 1.838 9.777 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.049 3.363 5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.439 2.814 8.051 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.472 3.576 5.920 1.00 0.00 H new ATOM 1398 N ASP A 93 -4.629 -0.539 10.230 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.634 -1.005 11.203 1.00 0.00 C ATOM 1400 C ASP A 93 -3.783 -2.515 11.435 1.00 0.00 C ATOM 1401 O ASP A 93 -3.336 -3.063 12.442 1.00 0.00 O ATOM 1402 CB ASP A 93 -3.756 -0.221 12.520 1.00 0.00 C ATOM 1403 CG ASP A 93 -2.625 -0.501 13.493 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -1.453 -0.526 13.064 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -2.901 -0.671 14.701 1.00 0.00 O ATOM 0 H ASP A 93 -4.230 -0.267 9.332 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.637 -0.823 10.801 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.780 0.846 12.299 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.705 -0.469 12.996 1.00 0.00 H new ATOM 1410 N GLN A 94 -4.410 -3.180 10.472 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.585 -4.629 10.510 1.00 0.00 C ATOM 1412 C GLN A 94 -3.736 -5.271 9.419 1.00 0.00 C ATOM 1413 O GLN A 94 -4.068 -5.186 8.237 1.00 0.00 O ATOM 1414 CB GLN A 94 -6.059 -4.992 10.310 1.00 0.00 C ATOM 1415 CG GLN A 94 -6.329 -6.489 10.303 1.00 0.00 C ATOM 1416 CD GLN A 94 -7.761 -6.814 9.929 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -8.081 -7.002 8.754 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -8.636 -6.871 10.921 1.00 0.00 N ATOM 0 H GLN A 94 -4.810 -2.734 9.646 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.266 -5.002 11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.648 -4.530 11.103 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.403 -4.566 9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.653 -6.974 9.599 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.111 -6.900 11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.330 -6.709 11.881 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.616 -7.077 10.726 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.637 -5.898 9.810 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.702 -6.453 8.843 1.00 0.00 C ATOM 1429 C VAL A 95 -1.297 -7.876 9.197 1.00 0.00 C ATOM 1430 O VAL A 95 -0.731 -8.130 10.260 1.00 0.00 O ATOM 1431 CB VAL A 95 -0.433 -5.577 8.718 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.624 -6.254 7.855 1.00 0.00 C ATOM 1433 CG2 VAL A 95 -0.784 -4.217 8.140 1.00 0.00 C ATOM 0 H VAL A 95 -2.371 -6.035 10.785 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.223 -6.467 7.885 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.020 -5.444 9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.503 -5.613 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.904 -7.207 8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.222 -6.427 6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.119 -3.612 8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.226 -4.345 7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.498 -3.717 8.795 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.621 -8.799 8.306 1.00 0.00 N ATOM 1444 CA ASP A 96 -1.108 -10.156 8.380 1.00 0.00 C ATOM 1445 C ASP A 96 -0.075 -10.347 7.279 1.00 0.00 C ATOM 1446 O ASP A 96 -0.376 -10.183 6.095 1.00 0.00 O ATOM 1447 CB ASP A 96 -2.233 -11.182 8.241 1.00 0.00 C ATOM 1448 CG ASP A 96 -1.745 -12.608 8.423 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -0.952 -13.085 7.585 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -2.147 -13.256 9.415 1.00 0.00 O ATOM 0 H ASP A 96 -2.243 -8.630 7.516 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.646 -10.311 9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.007 -10.970 8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.693 -11.081 7.258 1.00 0.00 H new ATOM 1455 N ASP A 97 1.141 -10.683 7.675 1.00 0.00 N ATOM 1456 CA ASP A 97 2.272 -10.732 6.756 1.00 0.00 C ATOM 1457 C ASP A 97 2.145 -11.868 5.746 1.00 0.00 C ATOM 1458 O ASP A 97 2.587 -11.740 4.604 1.00 0.00 O ATOM 1459 CB ASP A 97 3.569 -10.892 7.550 1.00 0.00 C ATOM 1460 CG ASP A 97 4.808 -10.774 6.687 1.00 0.00 C ATOM 1461 OD1 ASP A 97 5.278 -9.639 6.475 1.00 0.00 O ATOM 1462 OD2 ASP A 97 5.338 -11.815 6.248 1.00 0.00 O ATOM 0 H ASP A 97 1.374 -10.929 8.637 1.00 0.00 H new ATOM 0 HA ASP A 97 2.284 -9.796 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.605 -10.135 8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.568 -11.863 8.045 1.00 0.00 H new ATOM 1467 N HIS A 98 1.508 -12.957 6.143 1.00 0.00 N ATOM 1468 CA HIS A 98 1.521 -14.165 5.326 1.00 0.00 C ATOM 1469 C HIS A 98 0.232 -14.343 4.531 1.00 0.00 C ATOM 1470 O HIS A 98 0.022 -15.394 3.927 1.00 0.00 O ATOM 1471 CB HIS A 98 1.791 -15.409 6.184 1.00 0.00 C ATOM 1472 CG HIS A 98 0.815 -15.618 7.300 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -0.380 -16.285 7.145 1.00 0.00 N ATOM 1474 CD2 HIS A 98 0.867 -15.242 8.597 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -1.017 -16.310 8.296 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -0.285 -15.683 9.198 1.00 0.00 N ATOM 0 H HIS A 98 0.981 -13.033 7.013 1.00 0.00 H new ATOM 0 HA HIS A 98 2.334 -14.047 4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.781 -16.288 5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 98 2.794 -15.334 6.605 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.668 -14.695 9.073 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -1.979 -16.768 8.473 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -0.534 -15.549 10.178 1.00 0.00 H new ATOM 1485 N LEU A 99 -0.619 -13.325 4.515 1.00 0.00 N ATOM 1486 CA LEU A 99 -1.848 -13.383 3.729 1.00 0.00 C ATOM 1487 C LEU A 99 -1.538 -13.451 2.242 1.00 0.00 C ATOM 1488 O LEU A 99 -0.947 -12.528 1.672 1.00 0.00 O ATOM 1489 CB LEU A 99 -2.753 -12.180 4.006 1.00 0.00 C ATOM 1490 CG LEU A 99 -3.529 -12.234 5.320 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -4.488 -11.056 5.416 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -4.280 -13.553 5.450 1.00 0.00 C ATOM 0 H LEU A 99 -0.484 -12.456 5.032 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.375 -14.289 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.141 -11.278 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.465 -12.086 3.186 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.818 -12.169 6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.034 -11.107 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.925 -10.124 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.193 -11.092 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.826 -13.570 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.982 -13.655 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.570 -14.380 5.427 1.00 0.00 H new ATOM 1504 N GLN A 100 -1.932 -14.552 1.620 1.00 0.00 N ATOM 1505 CA GLN A 100 -1.740 -14.724 0.193 1.00 0.00 C ATOM 1506 C GLN A 100 -2.925 -14.143 -0.564 1.00 0.00 C ATOM 1507 O GLN A 100 -3.926 -14.821 -0.806 1.00 0.00 O ATOM 1508 CB GLN A 100 -1.548 -16.199 -0.168 1.00 0.00 C ATOM 1509 CG GLN A 100 -1.328 -16.429 -1.656 1.00 0.00 C ATOM 1510 CD GLN A 100 -1.047 -17.878 -1.987 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -1.963 -18.656 -2.253 1.00 0.00 O ATOM 1512 NE2 GLN A 100 0.222 -18.246 -1.982 1.00 0.00 N ATOM 0 H GLN A 100 -2.387 -15.339 2.084 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.835 -14.190 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.695 -16.593 0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.424 -16.762 0.154 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.210 -16.100 -2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.494 -15.815 -1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.949 -17.567 -1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.475 -19.209 -2.205 1.00 0.00 H new ATOM 1521 N THR A 101 -2.820 -12.871 -0.887 1.00 0.00 N ATOM 1522 CA THR A 101 -3.833 -12.189 -1.662 1.00 0.00 C ATOM 1523 C THR A 101 -3.301 -11.913 -3.065 1.00 0.00 C ATOM 1524 O THR A 101 -2.087 -11.929 -3.276 1.00 0.00 O ATOM 1525 CB THR A 101 -4.250 -10.877 -0.969 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.087 -10.132 -0.588 1.00 0.00 O ATOM 1527 CG2 THR A 101 -5.098 -11.168 0.262 1.00 0.00 C ATOM 0 H THR A 101 -2.031 -12.282 -0.620 1.00 0.00 H new ATOM 0 HA THR A 101 -4.715 -12.824 -1.737 1.00 0.00 H new ATOM 0 HB THR A 101 -4.841 -10.289 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.208 -9.776 0.317 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.383 -10.230 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.995 -11.711 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.524 -11.772 0.965 1.00 0.00 H new ATOM 1535 N PRO A 102 -4.185 -11.683 -4.047 1.00 0.00 N ATOM 1536 CA PRO A 102 -3.771 -11.488 -5.433 1.00 0.00 C ATOM 1537 C PRO A 102 -2.968 -10.210 -5.635 1.00 0.00 C ATOM 1538 O PRO A 102 -3.516 -9.105 -5.666 1.00 0.00 O ATOM 1539 CB PRO A 102 -5.072 -11.405 -6.220 1.00 0.00 C ATOM 1540 CG PRO A 102 -6.148 -11.851 -5.283 1.00 0.00 C ATOM 1541 CD PRO A 102 -5.640 -11.592 -3.891 1.00 0.00 C ATOM 0 HA PRO A 102 -3.119 -12.300 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.254 -10.388 -6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.035 -12.042 -7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.073 -11.304 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.370 -12.909 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.946 -10.612 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.016 -12.328 -3.181 1.00 0.00 H new ATOM 1549 N TYR A 103 -1.670 -10.388 -5.750 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.746 -9.300 -6.026 1.00 0.00 C ATOM 1551 C TYR A 103 -1.042 -8.701 -7.394 1.00 0.00 C ATOM 1552 O TYR A 103 -1.043 -9.407 -8.403 1.00 0.00 O ATOM 1553 CB TYR A 103 0.701 -9.813 -6.008 1.00 0.00 C ATOM 1554 CG TYR A 103 1.045 -10.697 -4.825 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.541 -10.153 -3.647 1.00 0.00 C ATOM 1556 CD2 TYR A 103 0.883 -12.077 -4.894 1.00 0.00 C ATOM 1557 CE1 TYR A 103 1.866 -10.960 -2.572 1.00 0.00 C ATOM 1558 CE2 TYR A 103 1.202 -12.888 -3.822 1.00 0.00 C ATOM 1559 CZ TYR A 103 1.693 -12.324 -2.665 1.00 0.00 C ATOM 1560 OH TYR A 103 2.016 -13.129 -1.595 1.00 0.00 O ATOM 0 H TYR A 103 -1.219 -11.298 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.870 -8.539 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.886 -10.370 -6.926 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.376 -8.957 -6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.675 -9.084 -3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.501 -12.522 -5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.254 -10.523 -1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.067 -13.957 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 103 1.834 -14.065 -1.823 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.322 -7.410 -7.431 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.526 -6.723 -8.697 1.00 0.00 C ATOM 1572 C HIS A 104 -0.558 -5.562 -8.808 1.00 0.00 C ATOM 1573 O HIS A 104 -0.427 -4.763 -7.887 1.00 0.00 O ATOM 1574 CB HIS A 104 -2.965 -6.226 -8.848 1.00 0.00 C ATOM 1575 CG HIS A 104 -3.995 -7.320 -8.869 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -5.088 -7.342 -8.028 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.105 -8.423 -9.647 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.824 -8.404 -8.291 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.249 -9.080 -9.266 1.00 0.00 N ATOM 0 H HIS A 104 -1.413 -6.818 -6.605 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.340 -7.435 -9.501 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.191 -5.546 -8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.044 -5.650 -9.770 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -3.420 -8.729 -10.424 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.743 -8.674 -7.792 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -5.597 -9.949 -9.671 1.00 0.00 H new ATOM 1588 N GLU A 105 0.100 -5.467 -9.948 1.00 0.00 N ATOM 1589 CA GLU A 105 1.179 -4.503 -10.140 1.00 0.00 C ATOM 1590 C GLU A 105 0.653 -3.086 -10.374 1.00 0.00 C ATOM 1591 O GLU A 105 1.419 -2.120 -10.373 1.00 0.00 O ATOM 1592 CB GLU A 105 2.090 -4.952 -11.292 1.00 0.00 C ATOM 1593 CG GLU A 105 1.364 -5.647 -12.439 1.00 0.00 C ATOM 1594 CD GLU A 105 0.420 -4.737 -13.197 1.00 0.00 C ATOM 1595 OE1 GLU A 105 0.875 -4.063 -14.143 1.00 0.00 O ATOM 1596 OE2 GLU A 105 -0.785 -4.700 -12.862 1.00 0.00 O ATOM 0 H GLU A 105 -0.092 -6.048 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 105 1.763 -4.472 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.613 -4.080 -11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.848 -5.628 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.101 -6.052 -13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.801 -6.492 -12.043 1.00 0.00 H new ATOM 1603 N THR A 106 -0.650 -2.969 -10.577 1.00 0.00 N ATOM 1604 CA THR A 106 -1.295 -1.678 -10.718 1.00 0.00 C ATOM 1605 C THR A 106 -2.466 -1.567 -9.748 1.00 0.00 C ATOM 1606 O THR A 106 -3.170 -2.550 -9.503 1.00 0.00 O ATOM 1607 CB THR A 106 -1.797 -1.456 -12.159 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.440 -2.644 -12.638 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.652 -1.075 -13.088 1.00 0.00 C ATOM 0 H THR A 106 -1.285 -3.764 -10.648 1.00 0.00 H new ATOM 0 HA THR A 106 -0.556 -0.910 -10.489 1.00 0.00 H new ATOM 0 HB THR A 106 -2.512 -0.634 -12.148 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.764 -3.269 -12.973 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.037 -0.925 -14.097 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.189 -0.154 -12.735 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.090 -1.874 -13.098 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.665 -0.377 -9.192 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.757 -0.145 -8.255 1.00 0.00 C ATOM 1619 C VAL A 107 -5.112 -0.338 -8.940 1.00 0.00 C ATOM 1620 O VAL A 107 -6.091 -0.731 -8.305 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.674 1.271 -7.633 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.769 2.348 -8.706 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.755 1.465 -6.577 1.00 0.00 C ATOM 0 H VAL A 107 -2.084 0.442 -9.374 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.661 -0.877 -7.453 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.703 1.365 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.708 3.332 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.948 2.230 -9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.719 2.254 -9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.676 2.467 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.737 1.340 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.627 0.727 -5.785 1.00 0.00 H new ATOM 1633 N TYR A 108 -5.144 -0.099 -10.246 1.00 0.00 N ATOM 1634 CA TYR A 108 -6.372 -0.223 -11.016 1.00 0.00 C ATOM 1635 C TYR A 108 -6.845 -1.667 -11.017 1.00 0.00 C ATOM 1636 O TYR A 108 -8.003 -1.953 -10.725 1.00 0.00 O ATOM 1637 CB TYR A 108 -6.149 0.247 -12.454 1.00 0.00 C ATOM 1638 CG TYR A 108 -5.572 1.639 -12.559 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -6.372 2.760 -12.380 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -4.226 1.831 -12.841 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -5.847 4.033 -12.479 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -3.692 3.100 -12.939 1.00 0.00 C ATOM 1643 CZ TYR A 108 -4.506 4.198 -12.758 1.00 0.00 C ATOM 1644 OH TYR A 108 -3.975 5.461 -12.863 1.00 0.00 O ATOM 0 H TYR A 108 -4.330 0.182 -10.793 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.135 0.404 -10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.480 -0.452 -12.955 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.099 0.217 -12.988 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.422 2.634 -12.160 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.586 0.973 -12.986 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.483 4.895 -12.339 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.642 3.232 -13.156 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.361 6.037 -12.170 1.00 0.00 H new ATOM 1654 N SER A 109 -5.923 -2.572 -11.324 1.00 0.00 N ATOM 1655 CA SER A 109 -6.216 -3.993 -11.372 1.00 0.00 C ATOM 1656 C SER A 109 -6.666 -4.498 -10.002 1.00 0.00 C ATOM 1657 O SER A 109 -7.525 -5.372 -9.899 1.00 0.00 O ATOM 1658 CB SER A 109 -4.965 -4.747 -11.835 1.00 0.00 C ATOM 1659 OG SER A 109 -5.207 -6.134 -11.994 1.00 0.00 O ATOM 0 H SER A 109 -4.955 -2.339 -11.546 1.00 0.00 H new ATOM 0 HA SER A 109 -7.029 -4.168 -12.077 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.620 -4.329 -12.781 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.164 -4.600 -11.110 1.00 0.00 H new ATOM 0 HG SER A 109 -4.385 -6.577 -12.291 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.094 -3.925 -8.953 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.405 -4.352 -7.600 1.00 0.00 C ATOM 1667 C LEU A 110 -7.763 -3.832 -7.147 1.00 0.00 C ATOM 1668 O LEU A 110 -8.627 -4.608 -6.747 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.331 -3.878 -6.626 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.597 -4.251 -5.172 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.391 -5.744 -4.953 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.714 -3.439 -4.240 1.00 0.00 C ATOM 0 H LEU A 110 -5.415 -3.166 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.436 -5.442 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.372 -4.299 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.241 -2.794 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.636 -4.016 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.586 -5.989 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.076 -6.303 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.364 -6.010 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.919 -3.720 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.666 -3.636 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.922 -2.378 -4.375 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.952 -2.522 -7.217 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.162 -1.897 -6.699 1.00 0.00 C ATOM 1686 C LEU A 111 -10.390 -2.397 -7.458 1.00 0.00 C ATOM 1687 O LEU A 111 -11.488 -2.474 -6.904 1.00 0.00 O ATOM 1688 CB LEU A 111 -9.051 -0.373 -6.797 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.922 0.418 -5.815 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.436 0.223 -4.385 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.924 1.897 -6.175 1.00 0.00 C ATOM 0 H LEU A 111 -7.283 -1.871 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.275 -2.171 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.010 -0.091 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.313 -0.072 -7.811 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.942 0.041 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.069 0.793 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.485 -0.834 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.406 0.570 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -10.548 2.443 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.905 2.283 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.321 2.026 -7.182 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.176 -2.776 -8.715 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.256 -3.264 -9.575 1.00 0.00 C ATOM 1705 C ASP A 112 -11.784 -4.598 -9.073 1.00 0.00 C ATOM 1706 O ASP A 112 -12.987 -4.849 -9.092 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.769 -3.422 -11.019 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.865 -3.907 -11.953 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.651 -3.071 -12.432 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.945 -5.131 -12.214 1.00 0.00 O ATOM 0 H ASP A 112 -9.261 -2.755 -9.165 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.060 -2.529 -9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.388 -2.466 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.937 -4.126 -11.044 1.00 0.00 H new ATOM 1715 N THR A 113 -10.876 -5.443 -8.603 1.00 0.00 N ATOM 1716 CA THR A 113 -11.234 -6.780 -8.142 1.00 0.00 C ATOM 1717 C THR A 113 -11.888 -6.741 -6.762 1.00 0.00 C ATOM 1718 O THR A 113 -12.362 -7.758 -6.254 1.00 0.00 O ATOM 1719 CB THR A 113 -9.993 -7.700 -8.090 1.00 0.00 C ATOM 1720 OG1 THR A 113 -8.984 -7.146 -7.233 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.413 -7.900 -9.478 1.00 0.00 C ATOM 0 H THR A 113 -9.882 -5.226 -8.530 1.00 0.00 H new ATOM 0 HA THR A 113 -11.950 -7.181 -8.859 1.00 0.00 H new ATOM 0 HB THR A 113 -10.313 -8.663 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.243 -6.239 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.541 -8.551 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.163 -8.358 -10.123 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.118 -6.936 -9.892 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.921 -5.559 -6.164 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.369 -5.423 -4.789 1.00 0.00 C ATOM 1731 C LEU A 114 -13.648 -4.597 -4.676 1.00 0.00 C ATOM 1732 O LEU A 114 -14.606 -5.010 -4.022 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.254 -4.800 -3.953 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.956 -5.611 -3.924 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.815 -4.779 -3.371 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.135 -6.879 -3.101 1.00 0.00 C ATOM 0 H LEU A 114 -11.644 -4.684 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.603 -6.418 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.038 -3.805 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.611 -4.672 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.710 -5.894 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.902 -5.375 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.667 -3.901 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.054 -4.462 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.202 -7.442 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.409 -6.614 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.923 -7.490 -3.541 1.00 0.00 H new ATOM 1748 N SER A 115 -13.672 -3.435 -5.314 1.00 0.00 N ATOM 1749 CA SER A 115 -14.792 -2.519 -5.156 1.00 0.00 C ATOM 1750 C SER A 115 -15.353 -2.061 -6.498 1.00 0.00 C ATOM 1751 O SER A 115 -14.629 -1.515 -7.330 1.00 0.00 O ATOM 1752 CB SER A 115 -14.345 -1.311 -4.342 1.00 0.00 C ATOM 1753 OG SER A 115 -13.818 -1.721 -3.091 1.00 0.00 O ATOM 0 H SER A 115 -12.936 -3.107 -5.940 1.00 0.00 H new ATOM 0 HA SER A 115 -15.588 -3.051 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.590 -0.752 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.189 -0.639 -4.185 1.00 0.00 H new ATOM 0 HG SER A 115 -14.498 -1.602 -2.395 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.665 -2.258 -6.710 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.353 -1.796 -7.920 1.00 0.00 C ATOM 1761 C PRO A 116 -17.447 -0.271 -7.974 1.00 0.00 C ATOM 1762 O PRO A 116 -17.684 0.311 -9.035 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.746 -2.421 -7.804 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.942 -2.655 -6.347 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.579 -2.961 -5.791 1.00 0.00 C ATOM 0 HA PRO A 116 -16.825 -2.084 -8.829 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.512 -1.756 -8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.809 -3.353 -8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.372 -1.777 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.629 -3.483 -6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.473 -2.602 -4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -17.384 -4.033 -5.774 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.223 0.374 -6.829 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.236 1.824 -6.745 1.00 0.00 C ATOM 1775 C ALA A 117 -16.099 2.404 -7.573 1.00 0.00 C ATOM 1776 O ALA A 117 -16.160 3.545 -8.034 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.126 2.258 -5.294 1.00 0.00 C ATOM 0 H ALA A 117 -17.030 -0.094 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.177 2.200 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.136 3.347 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -17.968 1.858 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.194 1.882 -4.871 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.069 1.591 -7.771 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.957 1.947 -8.630 1.00 0.00 C ATOM 1785 C TYR A 118 -14.451 2.186 -10.052 1.00 0.00 C ATOM 1786 O TYR A 118 -14.175 3.222 -10.649 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.905 0.832 -8.608 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.881 0.943 -9.712 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.878 1.900 -9.666 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.931 0.094 -10.810 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.953 2.010 -10.686 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -11.008 0.194 -11.830 1.00 0.00 C ATOM 1793 CZ TYR A 118 -10.025 1.152 -11.766 1.00 0.00 C ATOM 1794 OH TYR A 118 -9.116 1.259 -12.789 1.00 0.00 O ATOM 0 H TYR A 118 -14.985 0.670 -7.340 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.501 2.866 -8.263 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.393 0.847 -7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.408 -0.132 -8.686 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.819 2.569 -8.820 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.705 -0.657 -10.866 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.179 2.762 -10.639 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -11.058 -0.477 -12.675 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.307 0.580 -13.469 1.00 0.00 H new ATOM 1804 N ARG A 119 -15.209 1.229 -10.576 1.00 0.00 N ATOM 1805 CA ARG A 119 -15.732 1.325 -11.935 1.00 0.00 C ATOM 1806 C ARG A 119 -16.736 2.461 -12.043 1.00 0.00 C ATOM 1807 O ARG A 119 -16.854 3.099 -13.088 1.00 0.00 O ATOM 1808 CB ARG A 119 -16.387 0.013 -12.358 1.00 0.00 C ATOM 1809 CG ARG A 119 -15.423 -1.158 -12.392 1.00 0.00 C ATOM 1810 CD ARG A 119 -16.112 -2.435 -12.835 1.00 0.00 C ATOM 1811 NE ARG A 119 -15.180 -3.556 -12.900 1.00 0.00 N ATOM 1812 CZ ARG A 119 -15.526 -4.797 -13.235 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -16.780 -5.079 -13.562 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -14.610 -5.755 -13.236 1.00 0.00 N ATOM 0 H ARG A 119 -15.475 0.378 -10.081 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.895 1.529 -12.602 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.201 -0.216 -11.671 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -16.830 0.138 -13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -14.600 -0.933 -13.071 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -14.989 -1.302 -11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -16.919 -2.672 -12.142 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -16.567 -2.283 -13.814 1.00 0.00 H new ATOM 0 HE ARG A 119 -14.201 -3.377 -12.674 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -17.486 -4.343 -13.558 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -17.038 -6.032 -13.818 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.646 -5.539 -12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.869 -6.708 -13.492 1.00 0.00 H new ATOM 1828 N GLU A 120 -17.447 2.704 -10.950 1.00 0.00 N ATOM 1829 CA GLU A 120 -18.416 3.787 -10.883 1.00 0.00 C ATOM 1830 C GLU A 120 -17.741 5.130 -11.151 1.00 0.00 C ATOM 1831 O GLU A 120 -18.219 5.928 -11.958 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.077 3.814 -9.504 1.00 0.00 C ATOM 1833 CG GLU A 120 -20.194 4.835 -9.374 1.00 0.00 C ATOM 1834 CD GLU A 120 -20.570 5.101 -7.932 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -21.159 4.212 -7.290 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -20.268 6.205 -7.433 1.00 0.00 O ATOM 0 H GLU A 120 -17.369 2.160 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 120 -19.175 3.615 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -19.476 2.824 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.317 4.025 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -19.885 5.769 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -21.071 4.480 -9.916 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.625 5.366 -10.470 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.904 6.624 -10.595 1.00 0.00 C ATOM 1845 C ALA A 121 -15.023 6.641 -11.841 1.00 0.00 C ATOM 1846 O ALA A 121 -14.983 7.636 -12.566 1.00 0.00 O ATOM 1847 CB ALA A 121 -15.068 6.873 -9.349 1.00 0.00 C ATOM 0 H ALA A 121 -16.201 4.700 -9.825 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.637 7.424 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -14.533 7.817 -9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.720 6.920 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.352 6.061 -9.223 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.328 5.535 -12.089 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.416 5.438 -13.225 1.00 0.00 C ATOM 1855 C PHE A 122 -14.179 5.582 -14.538 1.00 0.00 C ATOM 1856 O PHE A 122 -13.777 6.341 -15.419 1.00 0.00 O ATOM 1857 CB PHE A 122 -12.663 4.103 -13.192 1.00 0.00 C ATOM 1858 CG PHE A 122 -11.560 3.997 -14.209 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -10.344 4.628 -13.996 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -11.734 3.259 -15.370 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -9.323 4.526 -14.922 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -10.717 3.155 -16.299 1.00 0.00 C ATOM 1863 CZ PHE A 122 -9.510 3.789 -16.076 1.00 0.00 C ATOM 0 H PHE A 122 -14.379 4.692 -11.518 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.692 6.250 -13.155 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.241 3.960 -12.197 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.373 3.293 -13.356 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.193 5.206 -13.096 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.675 2.760 -15.550 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.380 5.022 -14.744 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -10.865 2.578 -17.200 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.714 3.709 -16.802 1.00 0.00 H new