USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 180:sc= 0.269 USER MOD Set 1.2: A 109 SER OG : rot 82:sc= 0.0474 USER MOD Set 2.1: A 74 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot -104:sc= 1.25 USER MOD Set 3.2: A 67 ASN : amide:sc= -1.33! K(o=-0.079!,f=-2) USER MOD Set 4.1: A 49 ASN : amide:sc= 1.14 K(o=2.2,f=0.24) USER MOD Set 4.2: A 50 ASN : amide:sc= 1.08 K(o=2.2,f=1) USER MOD Single : A 33 MET CE :methyl -150:sc= -0.385 (180deg=-1.86!) USER MOD Single : A 42 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.002) USER MOD Single : A 51 MET CE :methyl -151:sc= 0 (180deg=-1.03) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -170:sc= 0 USER MOD Single : A 59 CYS SG : rot 48:sc= 0.0269 USER MOD Single : A 65 TYR OH : rot -143:sc= 1.28 USER MOD Single : A 70 THR OG1 : rot -62:sc= 1.16 USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 0.483 (180deg=0.00246) USER MOD Single : A 77 CYS SG : rot -156:sc= 0.422 USER MOD Single : A 81 THR OG1 : rot 4:sc= 0.123 USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= 0.955 (180deg=0.597) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.922 K(o=0.92,f=-6.1!) USER MOD Single : A 98 HIS : no HE2:sc= 0.409! C(o=0.41!,f=-6.1!) USER MOD Single : A 100 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.75) USER MOD Single : A 101 THR OG1 : rot 121:sc= 0.58 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 108 TYR OH : rot 59:sc= 1.24 USER MOD Single : A 113 THR OG1 : rot -38:sc= 0.287 USER MOD Single : A 115 SER OG : rot 80:sc= -0.0152 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.403 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.568 4.719 -4.189 1.00 0.00 N ATOM 439 CA ASP A 32 11.882 5.357 -3.070 1.00 0.00 C ATOM 440 C ASP A 32 10.388 5.053 -3.126 1.00 0.00 C ATOM 441 O ASP A 32 9.651 5.702 -3.872 1.00 0.00 O ATOM 442 CB ASP A 32 12.111 6.874 -3.122 1.00 0.00 C ATOM 443 CG ASP A 32 11.682 7.590 -1.857 1.00 0.00 C ATOM 444 OD1 ASP A 32 10.528 7.421 -1.425 1.00 0.00 O ATOM 445 OD2 ASP A 32 12.514 8.331 -1.284 1.00 0.00 O ATOM 0 HA ASP A 32 12.284 4.965 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.169 7.069 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.564 7.288 -3.969 1.00 0.00 H new ATOM 450 N MET A 33 9.935 4.067 -2.353 1.00 0.00 N ATOM 451 CA MET A 33 8.539 3.647 -2.412 1.00 0.00 C ATOM 452 C MET A 33 7.627 4.641 -1.707 1.00 0.00 C ATOM 453 O MET A 33 6.414 4.615 -1.891 1.00 0.00 O ATOM 454 CB MET A 33 8.364 2.261 -1.793 1.00 0.00 C ATOM 455 CG MET A 33 7.001 1.646 -2.063 1.00 0.00 C ATOM 456 SD MET A 33 7.117 0.048 -2.887 1.00 0.00 S ATOM 457 CE MET A 33 8.219 0.453 -4.237 1.00 0.00 C ATOM 0 H MET A 33 10.508 3.550 -1.686 1.00 0.00 H new ATOM 0 HA MET A 33 8.257 3.608 -3.464 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.137 1.598 -2.182 1.00 0.00 H new ATOM 0 HB3 MET A 33 8.516 2.331 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.466 1.527 -1.121 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.414 2.327 -2.679 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.995 -0.183 -5.093 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.084 1.498 -4.516 1.00 0.00 H new ATOM 0 HE3 MET A 33 9.251 0.292 -3.925 1.00 0.00 H new ATOM 467 N ARG A 34 8.214 5.519 -0.910 1.00 0.00 N ATOM 468 CA ARG A 34 7.439 6.522 -0.192 1.00 0.00 C ATOM 469 C ARG A 34 6.690 7.416 -1.178 1.00 0.00 C ATOM 470 O ARG A 34 5.511 7.708 -0.993 1.00 0.00 O ATOM 471 CB ARG A 34 8.330 7.380 0.722 1.00 0.00 C ATOM 472 CG ARG A 34 8.864 6.662 1.960 1.00 0.00 C ATOM 473 CD ARG A 34 9.975 5.671 1.633 1.00 0.00 C ATOM 474 NE ARG A 34 11.120 6.316 0.987 1.00 0.00 N ATOM 475 CZ ARG A 34 12.399 6.046 1.270 1.00 0.00 C ATOM 476 NH1 ARG A 34 12.711 5.184 2.221 1.00 0.00 N ATOM 477 NH2 ARG A 34 13.370 6.662 0.609 1.00 0.00 N ATOM 0 H ARG A 34 9.219 5.559 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 34 6.721 5.996 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.175 7.747 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.762 8.253 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.238 7.400 2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.046 6.135 2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.305 5.183 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.583 4.891 0.980 1.00 0.00 H new ATOM 0 HE ARG A 34 10.929 7.019 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.973 4.717 2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.690 4.986 2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.142 7.342 -0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.345 6.455 0.826 1.00 0.00 H new ATOM 491 N LEU A 35 7.377 7.819 -2.237 1.00 0.00 N ATOM 492 CA LEU A 35 6.792 8.691 -3.255 1.00 0.00 C ATOM 493 C LEU A 35 5.890 7.899 -4.177 1.00 0.00 C ATOM 494 O LEU A 35 4.829 8.376 -4.587 1.00 0.00 O ATOM 495 CB LEU A 35 7.899 9.340 -4.068 1.00 0.00 C ATOM 496 CG LEU A 35 9.137 9.650 -3.254 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.300 10.009 -4.164 1.00 0.00 C ATOM 498 CD2 LEU A 35 8.864 10.771 -2.265 1.00 0.00 C ATOM 0 H LEU A 35 8.346 7.556 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 35 6.201 9.460 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.170 8.680 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.523 10.263 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 35 9.407 8.757 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.180 10.228 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.515 9.171 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.040 10.885 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.767 10.977 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.565 11.669 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.064 10.472 -1.588 1.00 0.00 H new ATOM 510 N GLU A 36 6.322 6.681 -4.501 1.00 0.00 N ATOM 511 CA GLU A 36 5.515 5.776 -5.303 1.00 0.00 C ATOM 512 C GLU A 36 4.184 5.554 -4.607 1.00 0.00 C ATOM 513 O GLU A 36 3.153 5.340 -5.244 1.00 0.00 O ATOM 514 CB GLU A 36 6.222 4.429 -5.489 1.00 0.00 C ATOM 515 CG GLU A 36 7.681 4.538 -5.895 1.00 0.00 C ATOM 516 CD GLU A 36 7.894 5.317 -7.172 1.00 0.00 C ATOM 517 OE1 GLU A 36 8.086 6.546 -7.097 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.915 4.700 -8.255 1.00 0.00 O ATOM 0 H GLU A 36 7.226 6.303 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 36 5.360 6.221 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.158 3.867 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.689 3.854 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.239 5.016 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.092 3.536 -6.017 1.00 0.00 H new ATOM 525 N ALA A 37 4.216 5.650 -3.283 1.00 0.00 N ATOM 526 CA ALA A 37 3.024 5.432 -2.480 1.00 0.00 C ATOM 527 C ALA A 37 2.080 6.617 -2.607 1.00 0.00 C ATOM 528 O ALA A 37 0.895 6.453 -2.896 1.00 0.00 O ATOM 529 CB ALA A 37 3.392 5.195 -1.023 1.00 0.00 C ATOM 0 H ALA A 37 5.053 5.877 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 37 2.516 4.541 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.485 5.034 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.032 4.316 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.923 6.065 -0.636 1.00 0.00 H new ATOM 535 N GLU A 38 2.624 7.813 -2.417 1.00 0.00 N ATOM 536 CA GLU A 38 1.840 9.038 -2.491 1.00 0.00 C ATOM 537 C GLU A 38 1.249 9.225 -3.886 1.00 0.00 C ATOM 538 O GLU A 38 0.142 9.751 -4.037 1.00 0.00 O ATOM 539 CB GLU A 38 2.708 10.241 -2.115 1.00 0.00 C ATOM 540 CG GLU A 38 3.414 10.078 -0.777 1.00 0.00 C ATOM 541 CD GLU A 38 4.181 11.312 -0.360 1.00 0.00 C ATOM 542 OE1 GLU A 38 5.236 11.599 -0.963 1.00 0.00 O ATOM 543 OE2 GLU A 38 3.724 12.009 0.575 1.00 0.00 O ATOM 0 H GLU A 38 3.612 7.960 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 38 1.015 8.961 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.453 10.400 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.084 11.134 -2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.677 9.839 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.100 9.233 -0.835 1.00 0.00 H new ATOM 550 N ALA A 39 1.987 8.790 -4.902 1.00 0.00 N ATOM 551 CA ALA A 39 1.517 8.861 -6.278 1.00 0.00 C ATOM 552 C ALA A 39 0.290 7.975 -6.477 1.00 0.00 C ATOM 553 O ALA A 39 -0.721 8.416 -7.022 1.00 0.00 O ATOM 554 CB ALA A 39 2.626 8.458 -7.239 1.00 0.00 C ATOM 0 H ALA A 39 2.916 8.383 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 39 1.231 9.891 -6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.259 8.516 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.474 9.132 -7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.941 7.437 -7.024 1.00 0.00 H new ATOM 560 N VAL A 40 0.386 6.729 -6.018 1.00 0.00 N ATOM 561 CA VAL A 40 -0.718 5.777 -6.124 1.00 0.00 C ATOM 562 C VAL A 40 -1.946 6.278 -5.366 1.00 0.00 C ATOM 563 O VAL A 40 -3.059 6.275 -5.898 1.00 0.00 O ATOM 564 CB VAL A 40 -0.310 4.384 -5.588 1.00 0.00 C ATOM 565 CG1 VAL A 40 -1.512 3.458 -5.478 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.751 3.761 -6.483 1.00 0.00 C ATOM 0 H VAL A 40 1.221 6.354 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.967 5.686 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 40 0.103 4.521 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.191 2.488 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.243 3.891 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.965 3.331 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.027 2.782 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.356 3.651 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.631 4.404 -6.506 1.00 0.00 H new ATOM 576 N VAL A 41 -1.733 6.725 -4.132 1.00 0.00 N ATOM 577 CA VAL A 41 -2.822 7.202 -3.287 1.00 0.00 C ATOM 578 C VAL A 41 -3.585 8.349 -3.947 1.00 0.00 C ATOM 579 O VAL A 41 -4.809 8.321 -4.035 1.00 0.00 O ATOM 580 CB VAL A 41 -2.305 7.673 -1.909 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.435 8.260 -1.075 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.641 6.529 -1.162 1.00 0.00 C ATOM 0 H VAL A 41 -0.813 6.767 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.497 6.357 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.563 8.453 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.045 8.584 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.867 9.114 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.204 7.503 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.285 6.884 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.362 5.726 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.799 6.155 -1.744 1.00 0.00 H new ATOM 592 N ASN A 42 -2.858 9.347 -4.430 1.00 0.00 N ATOM 593 CA ASN A 42 -3.484 10.568 -4.932 1.00 0.00 C ATOM 594 C ASN A 42 -4.057 10.392 -6.333 1.00 0.00 C ATOM 595 O ASN A 42 -4.782 11.259 -6.819 1.00 0.00 O ATOM 596 CB ASN A 42 -2.491 11.732 -4.924 1.00 0.00 C ATOM 597 CG ASN A 42 -2.285 12.332 -3.541 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.016 13.523 -3.408 1.00 0.00 O ATOM 599 ND2 ASN A 42 -2.411 11.518 -2.504 1.00 0.00 N ATOM 0 H ASN A 42 -1.840 9.338 -4.486 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.311 10.793 -4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.532 11.386 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.846 12.509 -5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.284 11.875 -1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.635 10.534 -2.652 1.00 0.00 H new ATOM 606 N ASP A 43 -3.745 9.280 -6.984 1.00 0.00 N ATOM 607 CA ASP A 43 -4.200 9.062 -8.355 1.00 0.00 C ATOM 608 C ASP A 43 -5.638 8.555 -8.386 1.00 0.00 C ATOM 609 O ASP A 43 -6.460 9.041 -9.162 1.00 0.00 O ATOM 610 CB ASP A 43 -3.289 8.076 -9.084 1.00 0.00 C ATOM 611 CG ASP A 43 -3.643 7.955 -10.554 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.447 8.944 -11.295 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.119 6.880 -10.975 1.00 0.00 O ATOM 0 H ASP A 43 -3.186 8.522 -6.593 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.159 10.024 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.253 8.400 -8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.363 7.097 -8.611 1.00 0.00 H new ATOM 618 N VAL A 44 -5.944 7.595 -7.524 1.00 0.00 N ATOM 619 CA VAL A 44 -7.264 6.969 -7.516 1.00 0.00 C ATOM 620 C VAL A 44 -8.039 7.309 -6.244 1.00 0.00 C ATOM 621 O VAL A 44 -9.057 6.687 -5.945 1.00 0.00 O ATOM 622 CB VAL A 44 -7.160 5.435 -7.651 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.617 5.049 -9.018 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.287 4.855 -6.547 1.00 0.00 C ATOM 0 H VAL A 44 -5.300 7.232 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.803 7.367 -8.376 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.162 5.018 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.552 3.963 -9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.284 5.425 -9.794 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.625 5.481 -9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.227 3.773 -6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.286 5.282 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.721 5.094 -5.576 1.00 0.00 H new ATOM 634 N LEU A 45 -7.568 8.321 -5.525 1.00 0.00 N ATOM 635 CA LEU A 45 -8.160 8.712 -4.246 1.00 0.00 C ATOM 636 C LEU A 45 -9.642 9.070 -4.402 1.00 0.00 C ATOM 637 O LEU A 45 -10.457 8.790 -3.521 1.00 0.00 O ATOM 638 CB LEU A 45 -7.372 9.895 -3.661 1.00 0.00 C ATOM 639 CG LEU A 45 -7.556 10.159 -2.160 1.00 0.00 C ATOM 640 CD1 LEU A 45 -6.361 10.922 -1.611 1.00 0.00 C ATOM 641 CD2 LEU A 45 -8.833 10.942 -1.889 1.00 0.00 C ATOM 0 H LEU A 45 -6.771 8.892 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.103 7.866 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.312 9.728 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.655 10.797 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.633 9.194 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.503 11.103 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.455 10.336 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.267 11.875 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.935 11.113 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.789 11.900 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.691 10.374 -2.249 1.00 0.00 H new ATOM 653 N PHE A 46 -9.994 9.660 -5.538 1.00 0.00 N ATOM 654 CA PHE A 46 -11.365 10.104 -5.774 1.00 0.00 C ATOM 655 C PHE A 46 -12.288 8.926 -6.089 1.00 0.00 C ATOM 656 O PHE A 46 -13.512 9.067 -6.087 1.00 0.00 O ATOM 657 CB PHE A 46 -11.410 11.131 -6.913 1.00 0.00 C ATOM 658 CG PHE A 46 -11.038 10.576 -8.264 1.00 0.00 C ATOM 659 CD1 PHE A 46 -9.711 10.480 -8.650 1.00 0.00 C ATOM 660 CD2 PHE A 46 -12.022 10.162 -9.151 1.00 0.00 C ATOM 661 CE1 PHE A 46 -9.372 9.980 -9.894 1.00 0.00 C ATOM 662 CE2 PHE A 46 -11.689 9.659 -10.392 1.00 0.00 C ATOM 663 CZ PHE A 46 -10.361 9.567 -10.766 1.00 0.00 C ATOM 0 H PHE A 46 -9.352 9.842 -6.309 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.721 10.575 -4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.415 11.550 -6.969 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.735 11.953 -6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -8.933 10.799 -7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.061 10.234 -8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.334 9.912 -10.184 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.465 9.337 -11.071 1.00 0.00 H new ATOM 0 HZ PHE A 46 -10.098 9.174 -11.737 1.00 0.00 H new ATOM 673 N ALA A 47 -11.699 7.763 -6.349 1.00 0.00 N ATOM 674 CA ALA A 47 -12.474 6.579 -6.698 1.00 0.00 C ATOM 675 C ALA A 47 -13.002 5.891 -5.447 1.00 0.00 C ATOM 676 O ALA A 47 -13.906 5.057 -5.514 1.00 0.00 O ATOM 677 CB ALA A 47 -11.637 5.616 -7.526 1.00 0.00 C ATOM 0 H ALA A 47 -10.690 7.616 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.327 6.896 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.233 4.739 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.315 6.110 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.762 5.309 -6.953 1.00 0.00 H new ATOM 683 N VAL A 48 -12.433 6.248 -4.308 1.00 0.00 N ATOM 684 CA VAL A 48 -12.875 5.720 -3.027 1.00 0.00 C ATOM 685 C VAL A 48 -13.394 6.852 -2.147 1.00 0.00 C ATOM 686 O VAL A 48 -13.621 7.961 -2.632 1.00 0.00 O ATOM 687 CB VAL A 48 -11.744 4.959 -2.304 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.379 3.696 -3.070 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.521 5.847 -2.118 1.00 0.00 C ATOM 0 H VAL A 48 -11.657 6.907 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.681 5.011 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.104 4.673 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.580 3.171 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.253 3.048 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.043 3.963 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.739 5.286 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.156 6.172 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.792 6.719 -1.522 1.00 0.00 H new ATOM 699 N ASN A 49 -13.612 6.572 -0.873 1.00 0.00 N ATOM 700 CA ASN A 49 -14.110 7.582 0.051 1.00 0.00 C ATOM 701 C ASN A 49 -12.937 8.331 0.666 1.00 0.00 C ATOM 702 O ASN A 49 -12.888 9.561 0.660 1.00 0.00 O ATOM 703 CB ASN A 49 -14.945 6.939 1.158 1.00 0.00 C ATOM 704 CG ASN A 49 -15.779 7.951 1.919 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.331 8.883 1.335 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.857 7.792 3.231 1.00 0.00 N ATOM 0 H ASN A 49 -13.453 5.656 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.743 8.277 -0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.602 6.186 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.284 6.422 1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.389 8.455 3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.385 7.006 3.678 1.00 0.00 H new ATOM 713 N ASN A 50 -11.991 7.566 1.190 1.00 0.00 N ATOM 714 CA ASN A 50 -10.767 8.116 1.760 1.00 0.00 C ATOM 715 C ASN A 50 -9.603 7.206 1.406 1.00 0.00 C ATOM 716 O ASN A 50 -9.800 6.022 1.152 1.00 0.00 O ATOM 717 CB ASN A 50 -10.868 8.249 3.288 1.00 0.00 C ATOM 718 CG ASN A 50 -11.879 9.290 3.733 1.00 0.00 C ATOM 719 OD1 ASN A 50 -11.561 10.475 3.844 1.00 0.00 O ATOM 720 ND2 ASN A 50 -13.092 8.854 4.034 1.00 0.00 N ATOM 0 H ASN A 50 -12.048 6.549 1.233 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.611 9.112 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.140 7.283 3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.888 8.509 3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.800 9.507 4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.319 7.865 3.929 1.00 0.00 H new ATOM 727 N MET A 51 -8.398 7.749 1.380 1.00 0.00 N ATOM 728 CA MET A 51 -7.223 6.965 1.036 1.00 0.00 C ATOM 729 C MET A 51 -5.966 7.707 1.464 1.00 0.00 C ATOM 730 O MET A 51 -5.809 8.890 1.162 1.00 0.00 O ATOM 731 CB MET A 51 -7.190 6.689 -0.469 1.00 0.00 C ATOM 732 CG MET A 51 -6.270 5.548 -0.856 1.00 0.00 C ATOM 733 SD MET A 51 -6.276 5.224 -2.627 1.00 0.00 S ATOM 734 CE MET A 51 -5.329 3.708 -2.678 1.00 0.00 C ATOM 0 H MET A 51 -8.207 8.728 1.593 1.00 0.00 H new ATOM 0 HA MET A 51 -7.268 6.011 1.561 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.200 6.462 -0.811 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.873 7.593 -0.989 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.254 5.781 -0.536 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.573 4.646 -0.324 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.806 3.638 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.603 3.705 -1.865 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.000 2.856 -2.568 1.00 0.00 H new ATOM 744 N PHE A 52 -5.086 7.022 2.184 1.00 0.00 N ATOM 745 CA PHE A 52 -3.862 7.636 2.679 1.00 0.00 C ATOM 746 C PHE A 52 -2.839 6.570 3.054 1.00 0.00 C ATOM 747 O PHE A 52 -3.186 5.401 3.241 1.00 0.00 O ATOM 748 CB PHE A 52 -4.164 8.527 3.895 1.00 0.00 C ATOM 749 CG PHE A 52 -4.888 7.820 5.011 1.00 0.00 C ATOM 750 CD1 PHE A 52 -4.181 7.181 6.017 1.00 0.00 C ATOM 751 CD2 PHE A 52 -6.274 7.796 5.051 1.00 0.00 C ATOM 752 CE1 PHE A 52 -4.840 6.531 7.039 1.00 0.00 C ATOM 753 CE2 PHE A 52 -6.939 7.146 6.072 1.00 0.00 C ATOM 754 CZ PHE A 52 -6.221 6.512 7.068 1.00 0.00 C ATOM 0 H PHE A 52 -5.198 6.040 2.438 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.445 8.254 1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.226 8.927 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.763 9.377 3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.101 7.192 6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.839 8.291 4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.277 6.037 7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.019 7.133 6.092 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.738 6.003 7.868 1.00 0.00 H new ATOM 764 N VAL A 53 -1.577 6.968 3.145 1.00 0.00 N ATOM 765 CA VAL A 53 -0.540 6.083 3.647 1.00 0.00 C ATOM 766 C VAL A 53 -0.766 5.832 5.137 1.00 0.00 C ATOM 767 O VAL A 53 -1.064 6.762 5.890 1.00 0.00 O ATOM 768 CB VAL A 53 0.878 6.661 3.401 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.066 7.993 4.115 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.948 5.667 3.825 1.00 0.00 C ATOM 0 H VAL A 53 -1.249 7.896 2.878 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.601 5.140 3.104 1.00 0.00 H new ATOM 0 HB VAL A 53 0.981 6.840 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.070 8.371 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.332 8.710 3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.931 7.853 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.934 6.094 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.839 5.446 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.839 4.748 3.250 1.00 0.00 H new ATOM 780 N SER A 54 -0.654 4.575 5.547 1.00 0.00 N ATOM 781 CA SER A 54 -0.958 4.179 6.916 1.00 0.00 C ATOM 782 C SER A 54 -0.152 4.993 7.932 1.00 0.00 C ATOM 783 O SER A 54 -0.724 5.610 8.834 1.00 0.00 O ATOM 784 CB SER A 54 -0.654 2.696 7.089 1.00 0.00 C ATOM 785 OG SER A 54 -1.144 1.943 5.994 1.00 0.00 O ATOM 0 H SER A 54 -0.353 3.808 4.946 1.00 0.00 H new ATOM 0 HA SER A 54 -2.015 4.371 7.100 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.422 2.551 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.105 2.335 8.013 1.00 0.00 H new ATOM 0 HG SER A 54 -1.964 1.477 6.259 1.00 0.00 H new ATOM 791 N LYS A 55 1.176 4.973 7.776 1.00 0.00 N ATOM 792 CA LYS A 55 2.100 5.700 8.657 1.00 0.00 C ATOM 793 C LYS A 55 2.147 5.046 10.042 1.00 0.00 C ATOM 794 O LYS A 55 2.732 5.574 10.986 1.00 0.00 O ATOM 795 CB LYS A 55 1.709 7.184 8.755 1.00 0.00 C ATOM 796 CG LYS A 55 2.766 8.064 9.402 1.00 0.00 C ATOM 797 CD LYS A 55 2.300 9.504 9.511 1.00 0.00 C ATOM 798 CE LYS A 55 3.354 10.373 10.170 1.00 0.00 C ATOM 799 NZ LYS A 55 2.915 11.785 10.287 1.00 0.00 N ATOM 0 H LYS A 55 1.643 4.451 7.034 1.00 0.00 H new ATOM 0 HA LYS A 55 3.100 5.649 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.502 7.561 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.784 7.268 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.002 7.681 10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.685 8.021 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.074 9.892 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.376 9.547 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.580 9.980 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.276 10.327 9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.664 12.345 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.724 12.169 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.049 11.833 10.861 1.00 0.00 H new ATOM 813 N SER A 56 1.547 3.872 10.139 1.00 0.00 N ATOM 814 CA SER A 56 1.553 3.106 11.374 1.00 0.00 C ATOM 815 C SER A 56 2.243 1.771 11.142 1.00 0.00 C ATOM 816 O SER A 56 2.116 0.828 11.923 1.00 0.00 O ATOM 817 CB SER A 56 0.119 2.902 11.851 1.00 0.00 C ATOM 818 OG SER A 56 -0.759 2.747 10.748 1.00 0.00 O ATOM 0 H SER A 56 1.046 3.426 9.371 1.00 0.00 H new ATOM 0 HA SER A 56 2.101 3.648 12.145 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.065 2.022 12.491 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.194 3.754 12.454 1.00 0.00 H new ATOM 0 HG SER A 56 -1.687 2.776 11.062 1.00 0.00 H new ATOM 824 N LEU A 57 2.988 1.720 10.050 1.00 0.00 N ATOM 825 CA LEU A 57 3.676 0.524 9.623 1.00 0.00 C ATOM 826 C LEU A 57 5.175 0.780 9.600 1.00 0.00 C ATOM 827 O LEU A 57 5.691 1.570 10.388 1.00 0.00 O ATOM 828 CB LEU A 57 3.197 0.126 8.220 1.00 0.00 C ATOM 829 CG LEU A 57 1.920 -0.719 8.144 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.098 -2.025 8.881 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.714 0.031 8.669 1.00 0.00 C ATOM 0 H LEU A 57 3.130 2.519 9.432 1.00 0.00 H new ATOM 0 HA LEU A 57 3.459 -0.286 10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.037 1.037 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.000 -0.425 7.730 1.00 0.00 H new ATOM 0 HG LEU A 57 1.736 -0.935 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.180 -2.609 8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.918 -2.586 8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.325 -1.824 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.169 -0.604 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.881 0.304 9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.561 0.934 8.077 1.00 0.00 H new ATOM 843 N ARG A 58 5.857 0.114 8.690 1.00 0.00 N ATOM 844 CA ARG A 58 7.277 0.333 8.484 1.00 0.00 C ATOM 845 C ARG A 58 7.560 0.537 7.001 1.00 0.00 C ATOM 846 O ARG A 58 7.669 -0.415 6.230 1.00 0.00 O ATOM 847 CB ARG A 58 8.141 -0.809 9.053 1.00 0.00 C ATOM 848 CG ARG A 58 7.782 -2.210 8.560 1.00 0.00 C ATOM 849 CD ARG A 58 6.563 -2.759 9.277 1.00 0.00 C ATOM 850 NE ARG A 58 6.777 -2.835 10.721 1.00 0.00 N ATOM 851 CZ ARG A 58 5.801 -2.961 11.616 1.00 0.00 C ATOM 852 NH1 ARG A 58 4.544 -3.092 11.220 1.00 0.00 N ATOM 853 NH2 ARG A 58 6.081 -2.970 12.912 1.00 0.00 N ATOM 0 H ARG A 58 5.447 -0.590 8.076 1.00 0.00 H new ATOM 0 HA ARG A 58 7.552 1.233 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.184 -0.611 8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.063 -0.794 10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.591 -2.181 7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.628 -2.879 8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.701 -2.124 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.329 -3.751 8.891 1.00 0.00 H new ATOM 0 HE ARG A 58 7.736 -2.788 11.064 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.321 -3.097 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.799 -3.188 11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.047 -2.880 13.226 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.330 -3.067 13.595 1.00 0.00 H new ATOM 867 N CYS A 59 7.626 1.789 6.604 1.00 0.00 N ATOM 868 CA CYS A 59 7.978 2.134 5.238 1.00 0.00 C ATOM 869 C CYS A 59 9.490 2.254 5.128 1.00 0.00 C ATOM 870 O CYS A 59 10.059 3.319 5.373 1.00 0.00 O ATOM 871 CB CYS A 59 7.287 3.432 4.800 1.00 0.00 C ATOM 872 SG CYS A 59 7.382 4.765 6.019 1.00 0.00 S ATOM 0 H CYS A 59 7.440 2.590 7.208 1.00 0.00 H new ATOM 0 HA CYS A 59 7.632 1.346 4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.736 3.774 3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.239 3.220 4.590 1.00 0.00 H new ATOM 0 HG CYS A 59 8.604 4.875 6.447 1.00 0.00 H new ATOM 878 N ALA A 60 10.134 1.143 4.802 1.00 0.00 N ATOM 879 CA ALA A 60 11.588 1.085 4.753 1.00 0.00 C ATOM 880 C ALA A 60 12.133 1.921 3.607 1.00 0.00 C ATOM 881 O ALA A 60 12.608 3.029 3.818 1.00 0.00 O ATOM 882 CB ALA A 60 12.058 -0.359 4.638 1.00 0.00 C ATOM 0 H ALA A 60 9.670 0.266 4.566 1.00 0.00 H new ATOM 0 HA ALA A 60 11.975 1.503 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.147 -0.385 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.709 -0.925 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.654 -0.802 3.727 1.00 0.00 H new ATOM 888 N ASP A 61 12.021 1.404 2.391 1.00 0.00 N ATOM 889 CA ASP A 61 12.566 2.061 1.216 1.00 0.00 C ATOM 890 C ASP A 61 11.802 1.606 -0.007 1.00 0.00 C ATOM 891 O ASP A 61 11.207 2.413 -0.708 1.00 0.00 O ATOM 892 CB ASP A 61 14.057 1.747 1.036 1.00 0.00 C ATOM 893 CG ASP A 61 14.958 2.520 1.981 1.00 0.00 C ATOM 894 OD1 ASP A 61 15.051 3.758 1.844 1.00 0.00 O ATOM 895 OD2 ASP A 61 15.584 1.893 2.865 1.00 0.00 O ATOM 0 H ASP A 61 11.551 0.520 2.194 1.00 0.00 H new ATOM 0 HA ASP A 61 12.463 3.138 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.216 0.679 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.345 1.970 0.009 1.00 0.00 H new ATOM 900 N ASP A 62 11.801 0.295 -0.227 1.00 0.00 N ATOM 901 CA ASP A 62 11.113 -0.301 -1.369 1.00 0.00 C ATOM 902 C ASP A 62 9.822 -0.983 -0.921 1.00 0.00 C ATOM 903 O ASP A 62 9.301 -1.860 -1.609 1.00 0.00 O ATOM 904 CB ASP A 62 12.019 -1.327 -2.067 1.00 0.00 C ATOM 905 CG ASP A 62 13.287 -0.720 -2.638 1.00 0.00 C ATOM 906 OD1 ASP A 62 14.303 -0.674 -1.912 1.00 0.00 O ATOM 907 OD2 ASP A 62 13.284 -0.309 -3.818 1.00 0.00 O ATOM 0 H ASP A 62 12.273 -0.380 0.375 1.00 0.00 H new ATOM 0 HA ASP A 62 10.870 0.497 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.287 -2.108 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.460 -1.807 -2.871 1.00 0.00 H new ATOM 912 N VAL A 63 9.322 -0.591 0.246 1.00 0.00 N ATOM 913 CA VAL A 63 8.065 -1.118 0.764 1.00 0.00 C ATOM 914 C VAL A 63 7.287 -0.019 1.492 1.00 0.00 C ATOM 915 O VAL A 63 7.874 0.793 2.216 1.00 0.00 O ATOM 916 CB VAL A 63 8.299 -2.323 1.714 1.00 0.00 C ATOM 917 CG1 VAL A 63 9.129 -1.916 2.921 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.978 -2.934 2.155 1.00 0.00 C ATOM 0 H VAL A 63 9.771 0.094 0.854 1.00 0.00 H new ATOM 0 HA VAL A 63 7.480 -1.470 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 63 8.856 -3.078 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.277 -2.780 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.097 -1.542 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.609 -1.133 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.171 -3.776 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.388 -2.184 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.427 -3.281 1.280 1.00 0.00 H new ATOM 928 N ALA A 64 5.981 0.026 1.269 1.00 0.00 N ATOM 929 CA ALA A 64 5.117 0.980 1.959 1.00 0.00 C ATOM 930 C ALA A 64 3.695 0.438 2.083 1.00 0.00 C ATOM 931 O ALA A 64 3.130 -0.062 1.114 1.00 0.00 O ATOM 932 CB ALA A 64 5.107 2.320 1.232 1.00 0.00 C ATOM 0 H ALA A 64 5.494 -0.587 0.615 1.00 0.00 H new ATOM 0 HA ALA A 64 5.517 1.129 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.457 3.017 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.119 2.723 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.737 2.180 0.216 1.00 0.00 H new ATOM 938 N TYR A 65 3.126 0.522 3.280 1.00 0.00 N ATOM 939 CA TYR A 65 1.750 0.096 3.493 1.00 0.00 C ATOM 940 C TYR A 65 0.787 1.265 3.328 1.00 0.00 C ATOM 941 O TYR A 65 1.013 2.359 3.856 1.00 0.00 O ATOM 942 CB TYR A 65 1.592 -0.530 4.872 1.00 0.00 C ATOM 943 CG TYR A 65 2.335 -1.838 5.020 1.00 0.00 C ATOM 944 CD1 TYR A 65 3.675 -1.864 5.388 1.00 0.00 C ATOM 945 CD2 TYR A 65 1.692 -3.047 4.797 1.00 0.00 C ATOM 946 CE1 TYR A 65 4.353 -3.057 5.526 1.00 0.00 C ATOM 947 CE2 TYR A 65 2.365 -4.244 4.933 1.00 0.00 C ATOM 948 CZ TYR A 65 3.692 -4.243 5.299 1.00 0.00 C ATOM 949 OH TYR A 65 4.363 -5.434 5.435 1.00 0.00 O ATOM 0 H TYR A 65 3.594 0.879 4.113 1.00 0.00 H new ATOM 0 HA TYR A 65 1.508 -0.654 2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.950 0.171 5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.533 -0.697 5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.194 -0.934 5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.650 -3.051 4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.395 -3.061 5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.853 -5.178 4.753 1.00 0.00 H new ATOM 0 HH TYR A 65 4.054 -6.064 4.751 1.00 0.00 H new ATOM 959 N ILE A 66 -0.280 1.023 2.587 1.00 0.00 N ATOM 960 CA ILE A 66 -1.277 2.043 2.304 1.00 0.00 C ATOM 961 C ILE A 66 -2.661 1.546 2.699 1.00 0.00 C ATOM 962 O ILE A 66 -3.015 0.399 2.425 1.00 0.00 O ATOM 963 CB ILE A 66 -1.287 2.414 0.801 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.094 2.911 0.360 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.351 3.466 0.510 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.192 3.188 -1.124 1.00 0.00 C ATOM 0 H ILE A 66 -0.480 0.116 2.165 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.019 2.929 2.885 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.530 1.517 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.335 3.822 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.843 2.167 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.339 3.711 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.332 3.076 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.143 4.364 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.197 3.536 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.017 2.274 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.533 3.954 -1.400 1.00 0.00 H new ATOM 978 N ASN A 67 -3.443 2.400 3.338 1.00 0.00 N ATOM 979 CA ASN A 67 -4.802 2.040 3.703 1.00 0.00 C ATOM 980 C ASN A 67 -5.806 2.794 2.852 1.00 0.00 C ATOM 981 O ASN A 67 -5.728 4.013 2.701 1.00 0.00 O ATOM 982 CB ASN A 67 -5.082 2.292 5.183 1.00 0.00 C ATOM 983 CG ASN A 67 -4.664 1.122 6.058 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.598 1.131 6.671 1.00 0.00 O ATOM 985 ND2 ASN A 67 -5.503 0.096 6.110 1.00 0.00 N ATOM 0 H ASN A 67 -3.162 3.341 3.613 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.908 0.971 3.519 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.552 3.189 5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.146 2.484 5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.273 -0.723 6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.378 0.126 5.587 1.00 0.00 H new ATOM 992 N VAL A 68 -6.751 2.058 2.298 1.00 0.00 N ATOM 993 CA VAL A 68 -7.757 2.636 1.427 1.00 0.00 C ATOM 994 C VAL A 68 -9.155 2.375 1.977 1.00 0.00 C ATOM 995 O VAL A 68 -9.449 1.290 2.478 1.00 0.00 O ATOM 996 CB VAL A 68 -7.637 2.081 -0.015 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.760 0.565 -0.037 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.672 2.711 -0.932 1.00 0.00 C ATOM 0 H VAL A 68 -6.843 1.052 2.437 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.588 3.712 1.391 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.646 2.345 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.672 0.208 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.967 0.127 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.729 0.273 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.564 2.303 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.672 2.492 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.523 3.790 -0.961 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.998 3.384 1.902 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.377 3.266 2.333 1.00 0.00 C ATOM 1010 C GLU A 69 -12.296 3.480 1.144 1.00 0.00 C ATOM 1011 O GLU A 69 -12.424 4.597 0.641 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.697 4.283 3.430 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.125 4.186 3.948 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.468 5.297 4.911 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.238 5.131 6.125 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.962 6.346 4.458 1.00 0.00 O ATOM 0 H GLU A 69 -9.749 4.305 1.542 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.531 2.267 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.007 4.139 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.526 5.288 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.816 4.214 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.264 3.225 4.443 1.00 0.00 H new ATOM 1023 N THR A 70 -12.924 2.410 0.692 1.00 0.00 N ATOM 1024 CA THR A 70 -13.787 2.466 -0.476 1.00 0.00 C ATOM 1025 C THR A 70 -15.037 3.299 -0.192 1.00 0.00 C ATOM 1026 O THR A 70 -15.329 3.621 0.959 1.00 0.00 O ATOM 1027 CB THR A 70 -14.203 1.046 -0.908 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.942 0.415 0.144 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.980 0.204 -1.243 1.00 0.00 C ATOM 0 H THR A 70 -12.852 1.486 1.118 1.00 0.00 H new ATOM 0 HA THR A 70 -13.226 2.938 -1.282 1.00 0.00 H new ATOM 0 HB THR A 70 -14.827 1.127 -1.798 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.374 0.331 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.297 -0.794 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.428 0.672 -2.058 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.338 0.130 -0.366 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.782 3.639 -1.243 1.00 0.00 N ATOM 1038 CA LYS A 71 -17.026 4.394 -1.084 1.00 0.00 C ATOM 1039 C LYS A 71 -18.099 3.524 -0.429 1.00 0.00 C ATOM 1040 O LYS A 71 -19.195 3.986 -0.114 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.519 4.913 -2.438 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.581 5.916 -3.089 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.110 6.385 -4.435 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.180 7.391 -5.092 1.00 0.00 C ATOM 1045 NZ LYS A 71 -16.056 8.647 -4.306 1.00 0.00 N ATOM 0 H LYS A 71 -15.549 3.406 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.827 5.249 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.657 4.068 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.496 5.377 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.451 6.774 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.598 5.463 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.238 5.526 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.094 6.834 -4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.194 6.944 -5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.550 7.625 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.907 9.448 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.927 8.801 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.247 8.572 -3.656 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.755 2.259 -0.223 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.628 1.300 0.436 1.00 0.00 C ATOM 1061 C GLU A 72 -18.345 1.305 1.942 1.00 0.00 C ATOM 1062 O GLU A 72 -18.918 0.523 2.704 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.381 -0.089 -0.169 1.00 0.00 C ATOM 1064 CG GLU A 72 -19.315 -1.176 0.333 1.00 0.00 C ATOM 1065 CD GLU A 72 -19.085 -2.501 -0.365 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -18.149 -3.232 0.018 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -19.840 -2.815 -1.307 1.00 0.00 O ATOM 0 H GLU A 72 -16.857 1.869 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.674 1.568 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.475 -0.020 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.354 -0.385 0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.175 -1.305 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.348 -0.863 0.181 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.436 2.199 2.352 1.00 0.00 N ATOM 1075 CA ARG A 73 -17.017 2.342 3.752 1.00 0.00 C ATOM 1076 C ARG A 73 -16.172 1.157 4.205 1.00 0.00 C ATOM 1077 O ARG A 73 -15.697 1.118 5.343 1.00 0.00 O ATOM 1078 CB ARG A 73 -18.216 2.517 4.686 1.00 0.00 C ATOM 1079 CG ARG A 73 -18.878 3.882 4.598 1.00 0.00 C ATOM 1080 CD ARG A 73 -20.102 3.949 5.494 1.00 0.00 C ATOM 1081 NE ARG A 73 -20.609 5.312 5.648 1.00 0.00 N ATOM 1082 CZ ARG A 73 -21.900 5.607 5.803 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -22.819 4.655 5.686 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -22.272 6.859 6.048 1.00 0.00 N ATOM 0 H ARG A 73 -16.968 2.847 1.718 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.407 3.244 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.956 1.751 4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.891 2.349 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.167 4.655 4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.166 4.085 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.887 3.317 5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -19.853 3.544 6.475 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.938 6.080 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.537 3.697 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.806 4.882 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.570 7.595 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -23.260 7.084 6.166 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.980 0.200 3.310 1.00 0.00 N ATOM 1099 CA ASN A 74 -15.157 -0.962 3.597 1.00 0.00 C ATOM 1100 C ASN A 74 -13.701 -0.619 3.338 1.00 0.00 C ATOM 1101 O ASN A 74 -13.356 -0.082 2.281 1.00 0.00 O ATOM 1102 CB ASN A 74 -15.600 -2.157 2.748 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.828 -3.423 3.068 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -14.338 -3.608 4.184 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -14.734 -4.313 2.094 1.00 0.00 N ATOM 0 H ASN A 74 -16.386 0.207 2.374 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.274 -1.241 4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.664 -2.335 2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.471 -1.915 1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.241 -5.192 2.252 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.154 -4.120 1.185 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.860 -0.911 4.306 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.473 -0.496 4.259 1.00 0.00 C ATOM 1114 C ARG A 75 -10.566 -1.672 3.935 1.00 0.00 C ATOM 1115 O ARG A 75 -10.865 -2.811 4.283 1.00 0.00 O ATOM 1116 CB ARG A 75 -11.082 0.132 5.597 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.903 1.367 5.927 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.660 1.862 7.340 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.367 3.115 7.595 1.00 0.00 N ATOM 1120 CZ ARG A 75 -12.770 3.523 8.794 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -12.539 2.785 9.869 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -13.411 4.677 8.904 1.00 0.00 N ATOM 0 H ARG A 75 -13.114 -1.438 5.141 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.353 0.244 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.207 -0.605 6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.025 0.399 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.661 2.161 5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.962 1.140 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.988 1.106 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.591 2.007 7.498 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.565 3.719 6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.048 1.895 9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.852 3.106 10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.590 5.242 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.725 5.001 9.819 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.470 -1.387 3.253 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.489 -2.403 2.905 1.00 0.00 C ATOM 1138 C TYR A 76 -7.091 -1.937 3.278 1.00 0.00 C ATOM 1139 O TYR A 76 -6.809 -0.735 3.299 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.546 -2.741 1.411 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.787 -3.498 0.995 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -9.932 -4.845 1.303 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.810 -2.872 0.293 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.059 -5.547 0.922 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.940 -3.568 -0.093 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.059 -4.904 0.223 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.182 -5.601 -0.159 1.00 0.00 O ATOM 0 H TYR A 76 -9.235 -0.450 2.926 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.728 -3.305 3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.489 -1.816 0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.668 -3.332 1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.150 -5.352 1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.721 -1.825 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.157 -6.594 1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.726 -3.067 -0.639 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.790 -5.003 -0.641 1.00 0.00 H new ATOM 1157 N CYS A 77 -6.231 -2.888 3.592 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.843 -2.599 3.900 1.00 0.00 C ATOM 1159 C CYS A 77 -3.957 -3.213 2.824 1.00 0.00 C ATOM 1160 O CYS A 77 -3.946 -4.435 2.636 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.486 -3.150 5.281 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.866 -2.636 5.895 1.00 0.00 S ATOM 0 H CYS A 77 -6.473 -3.878 3.641 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.685 -1.521 3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.248 -2.833 5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.518 -4.239 5.243 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.441 -3.496 6.772 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.236 -2.370 2.103 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.476 -2.817 0.949 1.00 0.00 C ATOM 1170 C LEU A 78 -0.981 -2.627 1.154 1.00 0.00 C ATOM 1171 O LEU A 78 -0.526 -1.557 1.556 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.932 -2.057 -0.296 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.428 -2.165 -0.606 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.782 -1.326 -1.824 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.827 -3.619 -0.822 1.00 0.00 C ATOM 0 H LEU A 78 -3.162 -1.371 2.297 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.661 -3.883 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.676 -1.004 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.370 -2.425 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.985 -1.781 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.849 -1.415 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.535 -0.282 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.216 -1.679 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.893 -3.675 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.263 -4.031 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.611 -4.193 0.079 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.227 -3.674 0.873 1.00 0.00 N ATOM 1188 CA GLU A 79 1.220 -3.622 0.926 1.00 0.00 C ATOM 1189 C GLU A 79 1.768 -3.311 -0.461 1.00 0.00 C ATOM 1190 O GLU A 79 1.639 -4.119 -1.383 1.00 0.00 O ATOM 1191 CB GLU A 79 1.774 -4.961 1.423 1.00 0.00 C ATOM 1192 CG GLU A 79 3.290 -4.999 1.533 1.00 0.00 C ATOM 1193 CD GLU A 79 3.808 -6.358 1.963 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.815 -6.639 3.180 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.223 -7.147 1.089 1.00 0.00 O ATOM 0 H GLU A 79 -0.602 -4.583 0.602 1.00 0.00 H new ATOM 0 HA GLU A 79 1.528 -2.838 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.343 -5.181 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.449 -5.751 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.727 -4.735 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.618 -4.246 2.249 1.00 0.00 H new ATOM 1202 N LEU A 80 2.341 -2.129 -0.613 1.00 0.00 N ATOM 1203 CA LEU A 80 2.940 -1.734 -1.875 1.00 0.00 C ATOM 1204 C LEU A 80 4.391 -2.186 -1.920 1.00 0.00 C ATOM 1205 O LEU A 80 5.198 -1.800 -1.070 1.00 0.00 O ATOM 1206 CB LEU A 80 2.849 -0.216 -2.065 1.00 0.00 C ATOM 1207 CG LEU A 80 3.433 0.317 -3.376 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.686 -0.263 -4.568 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.382 1.837 -3.397 1.00 0.00 C ATOM 0 H LEU A 80 2.404 -1.426 0.123 1.00 0.00 H new ATOM 0 HA LEU A 80 2.393 -2.212 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.801 0.078 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.362 0.269 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 80 4.476 0.006 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.115 0.127 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.773 -1.349 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.634 0.017 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.800 2.202 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.347 2.168 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.962 2.232 -2.563 1.00 0.00 H new ATOM 1221 N THR A 81 4.703 -3.022 -2.897 1.00 0.00 N ATOM 1222 CA THR A 81 6.047 -3.545 -3.067 1.00 0.00 C ATOM 1223 C THR A 81 6.418 -3.584 -4.545 1.00 0.00 C ATOM 1224 O THR A 81 5.608 -3.225 -5.404 1.00 0.00 O ATOM 1225 CB THR A 81 6.169 -4.965 -2.472 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.048 -5.767 -2.882 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.240 -4.923 -0.953 1.00 0.00 C ATOM 0 H THR A 81 4.034 -3.355 -3.591 1.00 0.00 H new ATOM 0 HA THR A 81 6.731 -2.882 -2.537 1.00 0.00 H new ATOM 0 HB THR A 81 7.092 -5.408 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.486 -5.253 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.325 -5.938 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.110 -4.342 -0.645 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.336 -4.459 -0.559 1.00 0.00 H new ATOM 1235 N GLU A 82 7.636 -4.023 -4.838 1.00 0.00 N ATOM 1236 CA GLU A 82 8.079 -4.211 -6.214 1.00 0.00 C ATOM 1237 C GLU A 82 7.226 -5.280 -6.891 1.00 0.00 C ATOM 1238 O GLU A 82 6.882 -5.166 -8.069 1.00 0.00 O ATOM 1239 CB GLU A 82 9.568 -4.590 -6.224 1.00 0.00 C ATOM 1240 CG GLU A 82 10.129 -4.969 -7.586 1.00 0.00 C ATOM 1241 CD GLU A 82 10.145 -6.470 -7.822 1.00 0.00 C ATOM 1242 OE1 GLU A 82 10.974 -7.163 -7.192 1.00 0.00 O ATOM 1243 OE2 GLU A 82 9.338 -6.963 -8.635 1.00 0.00 O ATOM 0 H GLU A 82 8.338 -4.257 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 82 7.959 -3.283 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.143 -3.751 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.719 -5.426 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.535 -4.490 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.144 -4.581 -7.676 1.00 0.00 H new ATOM 1250 N ALA A 83 6.858 -6.300 -6.120 1.00 0.00 N ATOM 1251 CA ALA A 83 6.043 -7.398 -6.629 1.00 0.00 C ATOM 1252 C ALA A 83 4.630 -6.939 -6.985 1.00 0.00 C ATOM 1253 O ALA A 83 3.949 -7.573 -7.788 1.00 0.00 O ATOM 1254 CB ALA A 83 5.988 -8.523 -5.608 1.00 0.00 C ATOM 0 H ALA A 83 7.113 -6.388 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 83 6.511 -7.762 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.377 -9.338 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.997 -8.887 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.550 -8.152 -4.681 1.00 0.00 H new ATOM 1260 N GLY A 84 4.197 -5.836 -6.389 1.00 0.00 N ATOM 1261 CA GLY A 84 2.867 -5.325 -6.647 1.00 0.00 C ATOM 1262 C GLY A 84 2.166 -4.910 -5.373 1.00 0.00 C ATOM 1263 O GLY A 84 2.813 -4.499 -4.407 1.00 0.00 O ATOM 0 H GLY A 84 4.746 -5.285 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.931 -4.471 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.277 -6.088 -7.154 1.00 0.00 H new ATOM 1267 N LEU A 85 0.846 -5.023 -5.363 1.00 0.00 N ATOM 1268 CA LEU A 85 0.061 -4.661 -4.195 1.00 0.00 C ATOM 1269 C LEU A 85 -0.536 -5.906 -3.557 1.00 0.00 C ATOM 1270 O LEU A 85 -1.280 -6.651 -4.200 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.049 -3.669 -4.560 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.587 -2.264 -4.973 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.066 -2.256 -6.405 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.722 -1.264 -4.810 1.00 0.00 C ATOM 0 H LEU A 85 0.297 -5.363 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 85 0.725 -4.177 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.633 -4.093 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.719 -3.573 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 85 0.233 -1.970 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.254 -1.248 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.779 -2.939 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.858 -2.575 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.379 -0.273 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.561 -1.561 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.040 -1.241 -3.768 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.227 -6.114 -2.289 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.645 -7.313 -1.575 1.00 0.00 C ATOM 1288 C LYS A 86 -1.673 -6.971 -0.506 1.00 0.00 C ATOM 1289 O LYS A 86 -1.445 -6.100 0.329 1.00 0.00 O ATOM 1290 CB LYS A 86 0.573 -7.977 -0.925 1.00 0.00 C ATOM 1291 CG LYS A 86 0.242 -9.141 0.001 1.00 0.00 C ATOM 1292 CD LYS A 86 1.475 -9.588 0.770 1.00 0.00 C ATOM 1293 CE LYS A 86 1.154 -10.681 1.781 1.00 0.00 C ATOM 1294 NZ LYS A 86 2.354 -11.061 2.582 1.00 0.00 N ATOM 0 H LYS A 86 0.318 -5.461 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.100 -8.001 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.239 -8.333 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.122 -7.224 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.540 -8.844 0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.151 -9.974 -0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.227 -9.952 0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.909 -8.732 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.364 -10.338 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.772 -11.558 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.051 -11.473 3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.916 -11.760 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.933 -10.216 2.762 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.809 -7.650 -0.543 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.834 -7.463 0.469 1.00 0.00 C ATOM 1310 C VAL A 87 -3.394 -8.124 1.773 1.00 0.00 C ATOM 1311 O VAL A 87 -3.368 -9.350 1.879 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.191 -8.054 0.025 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.271 -7.770 1.060 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.591 -7.508 -1.338 1.00 0.00 C ATOM 0 H VAL A 87 -3.043 -8.334 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.965 -6.391 0.617 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.081 -9.135 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.217 -8.196 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.989 -8.218 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.382 -6.693 1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.549 -7.935 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.679 -6.423 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.832 -7.774 -2.074 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.018 -7.308 2.748 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.537 -7.821 4.025 1.00 0.00 C ATOM 1326 C VAL A 88 -3.617 -7.730 5.096 1.00 0.00 C ATOM 1327 O VAL A 88 -3.398 -8.102 6.248 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.273 -7.072 4.503 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.090 -7.402 3.609 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.510 -5.572 4.536 1.00 0.00 C ATOM 0 H VAL A 88 -3.036 -6.290 2.680 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.279 -8.868 3.866 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.047 -7.402 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.792 -6.866 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.101 -8.475 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.313 -7.102 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.605 -5.068 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.767 -5.222 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.329 -5.348 5.220 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.780 -7.230 4.709 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.886 -7.127 5.634 1.00 0.00 C ATOM 1342 C GLY A 89 -6.955 -6.184 5.135 1.00 0.00 C ATOM 1343 O GLY A 89 -6.840 -5.625 4.041 1.00 0.00 O ATOM 0 H GLY A 89 -4.977 -6.893 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.319 -8.115 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.519 -6.781 6.600 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.991 -5.996 5.937 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.094 -5.116 5.575 1.00 0.00 C ATOM 1349 C TYR A 90 -9.420 -4.160 6.715 1.00 0.00 C ATOM 1350 O TYR A 90 -10.582 -3.875 7.003 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.334 -5.923 5.162 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.431 -7.302 5.780 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.919 -7.484 7.068 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -10.042 -8.425 5.060 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -11.018 -8.748 7.618 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -10.136 -9.689 5.605 1.00 0.00 C ATOM 1357 CZ TYR A 90 -10.625 -9.846 6.883 1.00 0.00 C ATOM 1358 OH TYR A 90 -10.729 -11.105 7.428 1.00 0.00 O ATOM 0 H TYR A 90 -8.092 -6.443 6.848 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.782 -4.523 4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.225 -5.356 5.432 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.338 -6.026 4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.225 -6.626 7.648 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.660 -8.306 4.057 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.402 -8.875 8.620 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.828 -10.551 5.032 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.412 -11.769 6.781 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.370 -3.657 7.347 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.496 -2.651 8.392 1.00 0.00 C ATOM 1370 C ALA A 91 -7.230 -1.806 8.436 1.00 0.00 C ATOM 1371 O ALA A 91 -6.241 -2.134 7.777 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.750 -3.308 9.743 1.00 0.00 C ATOM 0 H ALA A 91 -7.408 -3.934 7.151 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.347 -2.008 8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.841 -2.539 10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.672 -3.887 9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.918 -3.969 9.988 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.253 -0.718 9.196 1.00 0.00 N ATOM 1379 CA PHE A 92 -6.066 0.116 9.345 1.00 0.00 C ATOM 1380 C PHE A 92 -5.012 -0.644 10.136 1.00 0.00 C ATOM 1381 O PHE A 92 -5.365 -1.454 10.996 1.00 0.00 O ATOM 1382 CB PHE A 92 -6.389 1.430 10.065 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.333 2.336 9.323 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.191 2.556 7.962 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -8.358 2.978 9.996 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.055 3.398 7.288 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -9.223 3.822 9.327 1.00 0.00 C ATOM 1388 CZ PHE A 92 -9.071 4.032 7.972 1.00 0.00 C ATOM 0 H PHE A 92 -8.070 -0.395 9.714 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.694 0.356 8.349 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.819 1.199 11.039 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.458 1.967 10.247 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.396 2.064 7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.483 2.817 11.057 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.935 3.559 6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.018 4.317 9.865 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.746 4.692 7.448 1.00 0.00 H new ATOM 1398 N ASP A 93 -3.735 -0.406 9.809 1.00 0.00 N ATOM 1399 CA ASP A 93 -2.587 -0.993 10.524 1.00 0.00 C ATOM 1400 C ASP A 93 -2.716 -2.509 10.703 1.00 0.00 C ATOM 1401 O ASP A 93 -2.100 -3.094 11.597 1.00 0.00 O ATOM 1402 CB ASP A 93 -2.338 -0.299 11.886 1.00 0.00 C ATOM 1403 CG ASP A 93 -3.488 -0.402 12.879 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -3.580 -1.424 13.598 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -4.300 0.547 12.955 1.00 0.00 O ATOM 0 H ASP A 93 -3.465 0.203 9.037 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.718 -0.816 9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.446 -0.731 12.340 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.126 0.755 11.707 1.00 0.00 H new ATOM 1410 N GLN A 94 -3.478 -3.149 9.824 1.00 0.00 N ATOM 1411 CA GLN A 94 -3.678 -4.589 9.893 1.00 0.00 C ATOM 1412 C GLN A 94 -2.849 -5.298 8.833 1.00 0.00 C ATOM 1413 O GLN A 94 -3.089 -5.150 7.636 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.161 -4.939 9.721 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.434 -6.438 9.695 1.00 0.00 C ATOM 1416 CD GLN A 94 -6.913 -6.765 9.605 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -7.476 -6.857 8.513 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -7.547 -6.959 10.749 1.00 0.00 N ATOM 0 H GLN A 94 -3.967 -2.692 9.055 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.351 -4.928 10.876 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.729 -4.489 10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.526 -4.495 8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.916 -6.882 8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.020 -6.894 10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.044 -6.873 11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.539 -7.194 10.749 1.00 0.00 H new ATOM 1427 N VAL A 95 -1.857 -6.042 9.282 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.049 -6.858 8.396 1.00 0.00 C ATOM 1429 C VAL A 95 -1.019 -8.285 8.911 1.00 0.00 C ATOM 1430 O VAL A 95 -0.326 -8.591 9.884 1.00 0.00 O ATOM 1431 CB VAL A 95 0.393 -6.322 8.273 1.00 0.00 C ATOM 1432 CG1 VAL A 95 1.233 -7.221 7.376 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.386 -4.901 7.739 1.00 0.00 C ATOM 0 H VAL A 95 -1.589 -6.098 10.265 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.501 -6.823 7.405 1.00 0.00 H new ATOM 0 HB VAL A 95 0.840 -6.320 9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.245 -6.822 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.268 -8.225 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.788 -7.260 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.410 -4.538 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.084 -4.884 6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.174 -4.259 8.419 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.799 -9.143 8.281 1.00 0.00 N ATOM 1444 CA ASP A 96 -1.899 -10.525 8.705 1.00 0.00 C ATOM 1445 C ASP A 96 -1.557 -11.463 7.562 1.00 0.00 C ATOM 1446 O ASP A 96 -2.186 -11.426 6.509 1.00 0.00 O ATOM 1447 CB ASP A 96 -3.306 -10.822 9.208 1.00 0.00 C ATOM 1448 CG ASP A 96 -3.422 -12.214 9.775 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -2.707 -12.524 10.753 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -4.214 -13.008 9.244 1.00 0.00 O ATOM 0 H ASP A 96 -2.373 -8.906 7.472 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.187 -10.684 9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.578 -10.095 9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.016 -10.704 8.389 1.00 0.00 H new ATOM 1455 N ASP A 97 -0.557 -12.306 7.775 1.00 0.00 N ATOM 1456 CA ASP A 97 -0.119 -13.247 6.751 1.00 0.00 C ATOM 1457 C ASP A 97 -0.854 -14.575 6.863 1.00 0.00 C ATOM 1458 O ASP A 97 -0.409 -15.585 6.317 1.00 0.00 O ATOM 1459 CB ASP A 97 1.391 -13.478 6.834 1.00 0.00 C ATOM 1460 CG ASP A 97 2.189 -12.277 6.366 1.00 0.00 C ATOM 1461 OD1 ASP A 97 2.481 -12.183 5.151 1.00 0.00 O ATOM 1462 OD2 ASP A 97 2.537 -11.427 7.213 1.00 0.00 O ATOM 0 H ASP A 97 -0.032 -12.359 8.648 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.357 -12.806 5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.663 -13.712 7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.656 -14.345 6.229 1.00 0.00 H new ATOM 1467 N HIS A 98 -1.970 -14.588 7.585 1.00 0.00 N ATOM 1468 CA HIS A 98 -2.857 -15.741 7.559 1.00 0.00 C ATOM 1469 C HIS A 98 -3.684 -15.675 6.287 1.00 0.00 C ATOM 1470 O HIS A 98 -4.116 -16.697 5.751 1.00 0.00 O ATOM 1471 CB HIS A 98 -3.776 -15.800 8.784 1.00 0.00 C ATOM 1472 CG HIS A 98 -3.072 -16.084 10.078 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -2.779 -15.112 11.005 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -2.630 -17.247 10.611 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -2.196 -15.659 12.051 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -2.089 -16.955 11.840 1.00 0.00 N ATOM 0 H HIS A 98 -2.277 -13.824 8.187 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.250 -16.646 7.582 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.303 -14.850 8.873 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.531 -16.569 8.619 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -2.982 -14.118 10.899 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.691 -18.224 10.155 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -1.862 -15.134 12.933 1.00 0.00 H new ATOM 1485 N LEU A 99 -3.903 -14.452 5.811 1.00 0.00 N ATOM 1486 CA LEU A 99 -4.485 -14.244 4.495 1.00 0.00 C ATOM 1487 C LEU A 99 -3.478 -14.655 3.431 1.00 0.00 C ATOM 1488 O LEU A 99 -2.390 -14.089 3.344 1.00 0.00 O ATOM 1489 CB LEU A 99 -4.888 -12.779 4.274 1.00 0.00 C ATOM 1490 CG LEU A 99 -6.133 -12.298 5.024 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -5.838 -12.103 6.501 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -6.650 -11.006 4.412 1.00 0.00 C ATOM 0 H LEU A 99 -3.686 -13.594 6.318 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.386 -14.853 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.049 -12.146 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.051 -12.626 3.207 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.903 -13.064 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.739 -11.761 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.513 -13.048 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.050 -11.359 6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.535 -10.675 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.878 -10.239 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.908 -11.176 3.367 1.00 0.00 H new ATOM 1504 N GLN A 100 -3.835 -15.645 2.631 1.00 0.00 N ATOM 1505 CA GLN A 100 -2.946 -16.132 1.583 1.00 0.00 C ATOM 1506 C GLN A 100 -3.210 -15.372 0.281 1.00 0.00 C ATOM 1507 O GLN A 100 -2.998 -15.890 -0.819 1.00 0.00 O ATOM 1508 CB GLN A 100 -3.144 -17.641 1.384 1.00 0.00 C ATOM 1509 CG GLN A 100 -1.939 -18.340 0.767 1.00 0.00 C ATOM 1510 CD GLN A 100 -0.691 -18.223 1.628 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -0.772 -18.130 2.855 1.00 0.00 O ATOM 1512 NE2 GLN A 100 0.470 -18.231 0.997 1.00 0.00 N ATOM 0 H GLN A 100 -4.732 -16.128 2.684 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.912 -15.959 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.365 -18.100 2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.013 -17.804 0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.173 -19.394 0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.739 -17.913 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.497 -18.309 -0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.339 -18.159 1.527 1.00 0.00 H new ATOM 1521 N THR A 101 -3.656 -14.131 0.426 1.00 0.00 N ATOM 1522 CA THR A 101 -3.989 -13.276 -0.700 1.00 0.00 C ATOM 1523 C THR A 101 -2.740 -12.817 -1.453 1.00 0.00 C ATOM 1524 O THR A 101 -1.881 -12.129 -0.897 1.00 0.00 O ATOM 1525 CB THR A 101 -4.786 -12.051 -0.214 1.00 0.00 C ATOM 1526 OG1 THR A 101 -4.470 -11.789 1.162 1.00 0.00 O ATOM 1527 CG2 THR A 101 -6.284 -12.282 -0.358 1.00 0.00 C ATOM 0 H THR A 101 -3.797 -13.689 1.334 1.00 0.00 H new ATOM 0 HA THR A 101 -4.598 -13.860 -1.390 1.00 0.00 H new ATOM 0 HB THR A 101 -4.510 -11.194 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.104 -10.884 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.823 -11.402 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.525 -12.462 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.577 -13.147 0.236 1.00 0.00 H new ATOM 1535 N PRO A 102 -2.625 -13.203 -2.733 1.00 0.00 N ATOM 1536 CA PRO A 102 -1.482 -12.843 -3.568 1.00 0.00 C ATOM 1537 C PRO A 102 -1.508 -11.372 -3.970 1.00 0.00 C ATOM 1538 O PRO A 102 -2.555 -10.720 -3.925 1.00 0.00 O ATOM 1539 CB PRO A 102 -1.632 -13.737 -4.810 1.00 0.00 C ATOM 1540 CG PRO A 102 -2.739 -14.694 -4.495 1.00 0.00 C ATOM 1541 CD PRO A 102 -3.597 -14.013 -3.471 1.00 0.00 C ATOM 0 HA PRO A 102 -0.538 -12.987 -3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.869 -13.143 -5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.705 -14.269 -5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.314 -14.933 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.344 -15.634 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.370 -13.399 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.103 -14.729 -2.824 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.357 -10.857 -4.366 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.246 -9.469 -4.778 1.00 0.00 C ATOM 1551 C TYR A 103 -0.699 -9.283 -6.222 1.00 0.00 C ATOM 1552 O TYR A 103 -0.510 -10.161 -7.065 1.00 0.00 O ATOM 1553 CB TYR A 103 1.187 -8.954 -4.592 1.00 0.00 C ATOM 1554 CG TYR A 103 2.259 -10.023 -4.684 1.00 0.00 C ATOM 1555 CD1 TYR A 103 2.706 -10.496 -5.913 1.00 0.00 C ATOM 1556 CD2 TYR A 103 2.825 -10.555 -3.532 1.00 0.00 C ATOM 1557 CE1 TYR A 103 3.686 -11.469 -5.989 1.00 0.00 C ATOM 1558 CE2 TYR A 103 3.806 -11.525 -3.600 1.00 0.00 C ATOM 1559 CZ TYR A 103 4.232 -11.979 -4.830 1.00 0.00 C ATOM 1560 OH TYR A 103 5.210 -12.944 -4.901 1.00 0.00 O ATOM 0 H TYR A 103 0.517 -11.382 -4.411 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.906 -8.882 -4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.386 -8.192 -5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.261 -8.467 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.281 -10.097 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.492 -10.204 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.022 -11.827 -6.951 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.237 -11.926 -2.694 1.00 0.00 H new ATOM 0 HH TYR A 103 5.488 -13.195 -3.995 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.318 -8.140 -6.483 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.784 -7.792 -7.818 1.00 0.00 C ATOM 1572 C HIS A 104 -0.789 -6.856 -8.482 1.00 0.00 C ATOM 1573 O HIS A 104 -0.017 -6.185 -7.796 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.164 -7.123 -7.757 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.292 -8.060 -7.441 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -5.451 -8.117 -8.187 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.455 -8.955 -6.435 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -6.274 -9.002 -7.655 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.694 -9.522 -6.591 1.00 0.00 N ATOM 0 H HIS A 104 -1.511 -7.429 -5.777 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.870 -8.708 -8.403 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.140 -6.335 -7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.364 -6.642 -8.715 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -3.742 -9.179 -5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -7.255 -9.257 -8.028 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.101 -10.232 -5.982 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.823 -6.811 -9.806 1.00 0.00 N ATOM 1589 CA GLU A 105 0.120 -6.008 -10.579 1.00 0.00 C ATOM 1590 C GLU A 105 -0.017 -4.520 -10.262 1.00 0.00 C ATOM 1591 O GLU A 105 0.876 -3.914 -9.674 1.00 0.00 O ATOM 1592 CB GLU A 105 -0.099 -6.246 -12.074 1.00 0.00 C ATOM 1593 CG GLU A 105 0.935 -5.574 -12.962 1.00 0.00 C ATOM 1594 CD GLU A 105 0.688 -5.834 -14.433 1.00 0.00 C ATOM 1595 OE1 GLU A 105 0.669 -7.016 -14.837 1.00 0.00 O ATOM 1596 OE2 GLU A 105 0.521 -4.862 -15.197 1.00 0.00 O ATOM 0 H GLU A 105 -1.498 -7.324 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 105 1.128 -6.316 -10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.087 -7.319 -12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.090 -5.884 -12.348 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.924 -4.500 -12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.929 -5.933 -12.694 1.00 0.00 H new ATOM 1603 N THR A 106 -1.139 -3.935 -10.652 1.00 0.00 N ATOM 1604 CA THR A 106 -1.350 -2.513 -10.461 1.00 0.00 C ATOM 1605 C THR A 106 -2.456 -2.258 -9.448 1.00 0.00 C ATOM 1606 O THR A 106 -3.202 -3.170 -9.082 1.00 0.00 O ATOM 1607 CB THR A 106 -1.724 -1.818 -11.785 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.948 -2.367 -12.298 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.616 -1.977 -12.817 1.00 0.00 C ATOM 0 H THR A 106 -1.914 -4.423 -11.101 1.00 0.00 H new ATOM 0 HA THR A 106 -0.411 -2.101 -10.091 1.00 0.00 H new ATOM 0 HB THR A 106 -1.858 -0.755 -11.585 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.180 -1.920 -13.138 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.906 -1.478 -13.742 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.303 -1.531 -12.436 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.451 -3.036 -13.013 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.563 -1.012 -9.001 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.638 -0.615 -8.104 1.00 0.00 C ATOM 1619 C VAL A 107 -4.970 -0.593 -8.857 1.00 0.00 C ATOM 1620 O VAL A 107 -6.036 -0.749 -8.265 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.364 0.773 -7.470 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.298 1.857 -8.535 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.415 1.108 -6.421 1.00 0.00 C ATOM 0 H VAL A 107 -1.918 -0.261 -9.246 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.690 -1.348 -7.299 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.394 0.729 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.105 2.820 -8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.495 1.629 -9.236 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.247 1.899 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.201 2.086 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.401 1.124 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.397 0.354 -5.634 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.892 -0.433 -10.174 1.00 0.00 N ATOM 1634 CA TYR A 108 -6.077 -0.383 -11.018 1.00 0.00 C ATOM 1635 C TYR A 108 -6.736 -1.755 -11.079 1.00 0.00 C ATOM 1636 O TYR A 108 -7.924 -1.896 -10.800 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.707 0.090 -12.430 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.974 1.414 -12.457 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.667 2.617 -12.462 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.585 1.457 -12.477 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -4.997 3.824 -12.490 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -2.909 2.660 -12.505 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.620 3.841 -12.510 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.949 5.040 -12.536 1.00 0.00 O ATOM 0 H TYR A 108 -4.013 -0.335 -10.682 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.782 0.327 -10.587 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.086 -0.669 -12.906 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.617 0.176 -13.024 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.747 2.609 -12.444 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.025 0.533 -12.471 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.551 4.751 -12.496 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.829 2.676 -12.523 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.192 5.568 -11.747 1.00 0.00 H new ATOM 1654 N SER A 109 -5.942 -2.771 -11.408 1.00 0.00 N ATOM 1655 CA SER A 109 -6.431 -4.144 -11.483 1.00 0.00 C ATOM 1656 C SER A 109 -6.770 -4.686 -10.093 1.00 0.00 C ATOM 1657 O SER A 109 -7.340 -5.768 -9.959 1.00 0.00 O ATOM 1658 CB SER A 109 -5.377 -5.037 -12.147 1.00 0.00 C ATOM 1659 OG SER A 109 -5.019 -4.549 -13.430 1.00 0.00 O ATOM 0 H SER A 109 -4.951 -2.667 -11.628 1.00 0.00 H new ATOM 0 HA SER A 109 -7.342 -4.148 -12.082 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.490 -5.088 -11.515 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.763 -6.052 -12.237 1.00 0.00 H new ATOM 0 HG SER A 109 -4.359 -3.831 -13.334 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.405 -3.938 -9.061 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.673 -4.346 -7.694 1.00 0.00 C ATOM 1667 C LEU A 110 -7.958 -3.714 -7.172 1.00 0.00 C ATOM 1668 O LEU A 110 -8.880 -4.419 -6.771 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.507 -3.968 -6.786 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.706 -4.321 -5.316 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.790 -5.826 -5.128 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.581 -3.742 -4.480 1.00 0.00 C ATOM 0 H LEU A 110 -5.922 -3.044 -9.148 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.795 -5.429 -7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.607 -4.465 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.333 -2.895 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.648 -3.886 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.932 -6.053 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.631 -6.218 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.867 -6.288 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.735 -4.001 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.629 -4.150 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.569 -2.657 -4.587 1.00 0.00 H new ATOM 1684 N LEU A 111 -8.020 -2.385 -7.195 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.176 -1.656 -6.677 1.00 0.00 C ATOM 1686 C LEU A 111 -10.423 -2.013 -7.480 1.00 0.00 C ATOM 1687 O LEU A 111 -11.550 -1.888 -6.996 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.913 -0.147 -6.732 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.836 0.717 -5.870 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.654 0.389 -4.396 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.562 2.191 -6.120 1.00 0.00 C ATOM 0 H LEU A 111 -7.281 -1.789 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.340 -1.941 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.883 0.036 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.000 0.181 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.868 0.500 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.319 1.014 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.892 -0.661 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.621 0.579 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -10.225 2.795 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.526 2.416 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.738 2.421 -7.171 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.193 -2.482 -8.703 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.255 -2.963 -9.588 1.00 0.00 C ATOM 1705 C ASP A 112 -12.096 -4.041 -8.908 1.00 0.00 C ATOM 1706 O ASP A 112 -13.324 -4.043 -9.015 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.636 -3.521 -10.877 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.629 -4.264 -11.753 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.361 -3.610 -12.519 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.655 -5.515 -11.700 1.00 0.00 O ATOM 0 H ASP A 112 -9.261 -2.540 -9.112 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.909 -2.124 -9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.203 -2.700 -11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.819 -4.194 -10.617 1.00 0.00 H new ATOM 1715 N THR A 113 -11.434 -4.940 -8.189 1.00 0.00 N ATOM 1716 CA THR A 113 -12.122 -6.048 -7.539 1.00 0.00 C ATOM 1717 C THR A 113 -12.455 -5.705 -6.088 1.00 0.00 C ATOM 1718 O THR A 113 -13.128 -6.473 -5.402 1.00 0.00 O ATOM 1719 CB THR A 113 -11.277 -7.349 -7.582 1.00 0.00 C ATOM 1720 OG1 THR A 113 -12.070 -8.476 -7.182 1.00 0.00 O ATOM 1721 CG2 THR A 113 -10.060 -7.255 -6.672 1.00 0.00 C ATOM 0 H THR A 113 -10.425 -4.923 -8.042 1.00 0.00 H new ATOM 0 HA THR A 113 -13.047 -6.218 -8.090 1.00 0.00 H new ATOM 0 HB THR A 113 -10.938 -7.479 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.671 -8.211 -6.455 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.492 -8.183 -6.727 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.430 -6.425 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.386 -7.090 -5.645 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.993 -4.546 -5.628 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.190 -4.148 -4.239 1.00 0.00 C ATOM 1731 C LEU A 114 -13.478 -3.352 -4.064 1.00 0.00 C ATOM 1732 O LEU A 114 -14.167 -3.482 -3.052 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.002 -3.324 -3.734 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.662 -4.061 -3.710 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.567 -3.154 -3.173 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -9.758 -5.337 -2.880 1.00 0.00 C ATOM 0 H LEU A 114 -11.482 -3.869 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.266 -5.062 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.901 -2.439 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.225 -2.975 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.409 -4.342 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.620 -3.694 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.477 -2.275 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.818 -2.842 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.793 -5.843 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.038 -5.085 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.512 -5.995 -3.311 1.00 0.00 H new ATOM 1748 N SER A 115 -13.799 -2.525 -5.047 1.00 0.00 N ATOM 1749 CA SER A 115 -14.984 -1.691 -4.962 1.00 0.00 C ATOM 1750 C SER A 115 -15.579 -1.444 -6.342 1.00 0.00 C ATOM 1751 O SER A 115 -14.881 -1.024 -7.266 1.00 0.00 O ATOM 1752 CB SER A 115 -14.637 -0.357 -4.293 1.00 0.00 C ATOM 1753 OG SER A 115 -15.804 0.400 -4.006 1.00 0.00 O ATOM 0 H SER A 115 -13.259 -2.415 -5.906 1.00 0.00 H new ATOM 0 HA SER A 115 -15.727 -2.213 -4.360 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.087 -0.543 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.980 0.218 -4.945 1.00 0.00 H new ATOM 0 HG SER A 115 -16.220 0.061 -3.186 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.887 -1.700 -6.498 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.607 -1.407 -7.740 1.00 0.00 C ATOM 1761 C PRO A 116 -17.730 0.097 -7.974 1.00 0.00 C ATOM 1762 O PRO A 116 -17.963 0.546 -9.094 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.987 -2.034 -7.517 1.00 0.00 C ATOM 1764 CG PRO A 116 -19.146 -2.091 -6.036 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.765 -2.308 -5.479 1.00 0.00 C ATOM 0 HA PRO A 116 -17.095 -1.800 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.773 -1.434 -7.976 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -19.046 -3.028 -7.959 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.580 -1.167 -5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.815 -2.901 -5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.644 -1.830 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -17.549 -3.368 -5.342 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.543 0.867 -6.906 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.647 2.319 -6.974 1.00 0.00 C ATOM 1775 C ALA A 117 -16.459 2.913 -7.723 1.00 0.00 C ATOM 1776 O ALA A 117 -16.532 4.027 -8.246 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.746 2.902 -5.575 1.00 0.00 C ATOM 0 H ALA A 117 -17.318 0.506 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.553 2.576 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.823 3.987 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.630 2.504 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.856 2.634 -5.005 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.367 2.156 -7.779 1.00 0.00 N ATOM 1784 CA TYR A 118 -14.193 2.551 -8.549 1.00 0.00 C ATOM 1785 C TYR A 118 -14.558 2.667 -10.024 1.00 0.00 C ATOM 1786 O TYR A 118 -14.118 3.580 -10.724 1.00 0.00 O ATOM 1787 CB TYR A 118 -13.069 1.523 -8.352 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.928 1.652 -9.341 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -11.020 2.697 -9.257 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.766 0.725 -10.363 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.983 2.818 -10.161 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.729 0.838 -11.271 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.842 1.888 -11.167 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.809 2.007 -12.067 1.00 0.00 O ATOM 0 H TYR A 118 -15.271 1.262 -7.298 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.842 3.522 -8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.672 1.624 -7.342 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.491 0.521 -8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -11.126 3.429 -8.470 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.461 -0.097 -10.450 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.285 3.639 -10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.615 0.107 -12.058 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.851 1.270 -12.712 1.00 0.00 H new ATOM 1804 N ARG A 119 -15.396 1.743 -10.473 1.00 0.00 N ATOM 1805 CA ARG A 119 -15.816 1.680 -11.865 1.00 0.00 C ATOM 1806 C ARG A 119 -16.700 2.875 -12.209 1.00 0.00 C ATOM 1807 O ARG A 119 -16.797 3.284 -13.368 1.00 0.00 O ATOM 1808 CB ARG A 119 -16.571 0.371 -12.108 1.00 0.00 C ATOM 1809 CG ARG A 119 -15.866 -0.842 -11.521 1.00 0.00 C ATOM 1810 CD ARG A 119 -16.683 -2.108 -11.696 1.00 0.00 C ATOM 1811 NE ARG A 119 -16.780 -2.505 -13.095 1.00 0.00 N ATOM 1812 CZ ARG A 119 -16.065 -3.489 -13.635 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -15.205 -4.175 -12.893 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -16.205 -3.781 -14.919 1.00 0.00 N ATOM 0 H ARG A 119 -15.803 1.017 -9.883 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.936 1.712 -12.507 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.569 0.448 -11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -16.699 0.226 -13.181 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -14.896 -0.966 -12.002 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -15.677 -0.675 -10.461 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -16.229 -2.915 -11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -17.684 -1.953 -11.293 1.00 0.00 H new ATOM 0 HE ARG A 119 -17.433 -2.000 -13.694 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -15.090 -3.949 -11.905 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -14.659 -4.928 -13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -16.861 -3.252 -15.494 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -15.657 -4.535 -15.333 1.00 0.00 H new ATOM 1828 N GLU A 120 -17.333 3.431 -11.184 1.00 0.00 N ATOM 1829 CA GLU A 120 -18.175 4.610 -11.338 1.00 0.00 C ATOM 1830 C GLU A 120 -17.309 5.859 -11.483 1.00 0.00 C ATOM 1831 O GLU A 120 -17.413 6.593 -12.469 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.097 4.753 -10.122 1.00 0.00 C ATOM 1833 CG GLU A 120 -20.022 5.955 -10.184 1.00 0.00 C ATOM 1834 CD GLU A 120 -21.146 5.775 -11.178 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -20.917 5.962 -12.389 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -22.270 5.448 -10.747 1.00 0.00 O ATOM 0 H GLU A 120 -17.278 3.080 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.782 4.496 -12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -19.699 3.849 -10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.486 4.824 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -20.443 6.136 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -19.444 6.840 -10.451 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.438 6.075 -10.504 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.588 7.258 -10.471 1.00 0.00 C ATOM 1845 C ALA A 121 -14.655 7.307 -11.675 1.00 0.00 C ATOM 1846 O ALA A 121 -14.371 8.381 -12.207 1.00 0.00 O ATOM 1847 CB ALA A 121 -14.794 7.301 -9.176 1.00 0.00 C ATOM 0 H ALA A 121 -16.302 5.440 -9.717 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.232 8.136 -10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -14.163 8.190 -9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.480 7.332 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.168 6.411 -9.103 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.186 6.142 -12.109 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.315 6.055 -13.272 1.00 0.00 C ATOM 1855 C PHE A 122 -14.035 6.571 -14.515 1.00 0.00 C ATOM 1856 O PHE A 122 -13.512 7.413 -15.246 1.00 0.00 O ATOM 1857 CB PHE A 122 -12.855 4.608 -13.483 1.00 0.00 C ATOM 1858 CG PHE A 122 -11.828 4.451 -14.568 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -10.500 4.774 -14.334 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -12.187 3.981 -15.821 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -9.553 4.633 -15.328 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -11.243 3.839 -16.819 1.00 0.00 C ATOM 1863 CZ PHE A 122 -9.924 4.165 -16.572 1.00 0.00 C ATOM 0 H PHE A 122 -14.396 5.245 -11.671 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.437 6.677 -13.098 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.444 4.227 -12.548 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.722 3.992 -13.724 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.203 5.140 -13.362 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -13.217 3.723 -16.019 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.522 4.889 -15.132 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -11.536 3.473 -17.792 1.00 0.00 H new ATOM 0 HZ PHE A 122 -9.184 4.054 -17.351 1.00 0.00 H new