USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 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 -50:sc= 1.38 USER MOD Set 1.2: A 109 SER OG : rot 93:sc= 0.45 USER MOD Set 2.1: A 74 ASN : amide:sc=-0.00337 X(o=-0.0034,f=-0.17) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot 82:sc=0.000598 USER MOD Set 3.2: A 67 ASN : amide:sc= 1.97 K(o=2.2,f=-5.7!) USER MOD Set 3.3: A 77 CYS SG : rot 68:sc= 0.227 USER MOD Single : A 33 MET CE :methyl 144:sc= -0.671 (180deg=-2.69!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 49 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.8!) USER MOD Single : A 50 ASN : amide:sc= -0.0444 K(o=-0.044,f=-6.5!) USER MOD Single : A 51 MET CE :methyl -131:sc= -0.37 (180deg=-1.48!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -102:sc= 1.28 USER MOD Single : A 70 THR OG1 : rot -77:sc= 0.773 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= -0.0305 (180deg=-0.0305) USER MOD Single : A 81 THR OG1 : rot -5:sc= 0.139 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.044) USER MOD Single : A 98 HIS : no HD1:sc=-0.000332 X(o=-0.00033,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.41) USER MOD Single : A 101 THR OG1 : rot -96:sc= -1.82! USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= 0.206 K(o=0.21,f=-3.6!) USER MOD Single : A 108 TYR OH : rot -122:sc= 1.35 USER MOD Single : A 113 THR OG1 : rot -55:sc= 1.25 USER MOD Single : A 115 SER OG : rot -110:sc= 0 USER MOD Single : A 118 TYR OH : rot -30:sc= -1.41 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.239 4.601 -3.194 1.00 0.00 N ATOM 439 CA ASP A 32 11.316 4.951 -2.120 1.00 0.00 C ATOM 440 C ASP A 32 9.885 4.590 -2.506 1.00 0.00 C ATOM 441 O ASP A 32 9.276 5.249 -3.350 1.00 0.00 O ATOM 442 CB ASP A 32 11.393 6.451 -1.803 1.00 0.00 C ATOM 443 CG ASP A 32 12.779 6.919 -1.394 1.00 0.00 C ATOM 444 OD1 ASP A 32 13.737 6.709 -2.167 1.00 0.00 O ATOM 445 OD2 ASP A 32 12.915 7.520 -0.305 1.00 0.00 O ATOM 0 HA ASP A 32 11.605 4.385 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.073 7.015 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.691 6.680 -1.002 1.00 0.00 H new ATOM 450 N MET A 33 9.346 3.542 -1.895 1.00 0.00 N ATOM 451 CA MET A 33 7.993 3.097 -2.212 1.00 0.00 C ATOM 452 C MET A 33 6.964 4.138 -1.782 1.00 0.00 C ATOM 453 O MET A 33 5.829 4.132 -2.245 1.00 0.00 O ATOM 454 CB MET A 33 7.692 1.770 -1.525 1.00 0.00 C ATOM 455 CG MET A 33 6.541 1.009 -2.155 1.00 0.00 C ATOM 456 SD MET A 33 6.864 0.593 -3.879 1.00 0.00 S ATOM 457 CE MET A 33 8.415 -0.285 -3.707 1.00 0.00 C ATOM 0 H MET A 33 9.820 2.987 -1.182 1.00 0.00 H new ATOM 0 HA MET A 33 7.930 2.964 -3.292 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.586 1.147 -1.549 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.462 1.957 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.359 0.095 -1.590 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.633 1.609 -2.091 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.451 -1.104 -4.425 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.243 0.399 -3.894 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.497 -0.685 -2.696 1.00 0.00 H new ATOM 467 N ARG A 34 7.375 5.035 -0.899 1.00 0.00 N ATOM 468 CA ARG A 34 6.483 6.067 -0.378 1.00 0.00 C ATOM 469 C ARG A 34 6.108 7.083 -1.456 1.00 0.00 C ATOM 470 O ARG A 34 5.026 7.667 -1.413 1.00 0.00 O ATOM 471 CB ARG A 34 7.126 6.756 0.827 1.00 0.00 C ATOM 472 CG ARG A 34 7.192 5.857 2.054 1.00 0.00 C ATOM 473 CD ARG A 34 8.583 5.827 2.667 1.00 0.00 C ATOM 474 NE ARG A 34 8.987 7.128 3.195 1.00 0.00 N ATOM 475 CZ ARG A 34 10.225 7.612 3.099 1.00 0.00 C ATOM 476 NH1 ARG A 34 11.156 6.951 2.425 1.00 0.00 N ATOM 477 NH2 ARG A 34 10.524 8.779 3.660 1.00 0.00 N ATOM 0 H ARG A 34 8.323 5.071 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 34 5.559 5.587 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.134 7.076 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.560 7.655 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.476 6.207 2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.896 4.845 1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.608 5.089 3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.302 5.504 1.914 1.00 0.00 H new ATOM 0 HE ARG A 34 8.282 7.698 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.927 6.065 1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.101 7.329 2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.807 9.302 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.471 9.152 3.588 1.00 0.00 H new ATOM 491 N LEU A 35 6.984 7.269 -2.438 1.00 0.00 N ATOM 492 CA LEU A 35 6.698 8.166 -3.558 1.00 0.00 C ATOM 493 C LEU A 35 5.627 7.543 -4.427 1.00 0.00 C ATOM 494 O LEU A 35 4.660 8.198 -4.822 1.00 0.00 O ATOM 495 CB LEU A 35 7.948 8.389 -4.398 1.00 0.00 C ATOM 496 CG LEU A 35 9.235 8.465 -3.601 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.437 8.421 -4.533 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.267 9.725 -2.750 1.00 0.00 C ATOM 0 H LEU A 35 7.896 6.813 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 35 6.361 9.125 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.032 7.580 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.830 9.313 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 35 9.279 7.603 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.354 8.476 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.424 7.490 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.395 9.265 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.199 9.760 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.200 10.601 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.425 9.718 -2.058 1.00 0.00 H new ATOM 510 N GLU A 36 5.826 6.261 -4.713 1.00 0.00 N ATOM 511 CA GLU A 36 4.855 5.467 -5.445 1.00 0.00 C ATOM 512 C GLU A 36 3.538 5.465 -4.684 1.00 0.00 C ATOM 513 O GLU A 36 2.458 5.489 -5.273 1.00 0.00 O ATOM 514 CB GLU A 36 5.366 4.032 -5.588 1.00 0.00 C ATOM 515 CG GLU A 36 6.783 3.933 -6.128 1.00 0.00 C ATOM 516 CD GLU A 36 6.870 4.229 -7.608 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.835 5.417 -7.988 1.00 0.00 O ATOM 518 OE2 GLU A 36 6.994 3.269 -8.396 1.00 0.00 O ATOM 0 H GLU A 36 6.664 5.747 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 36 4.706 5.894 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.324 3.543 -4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.696 3.483 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.423 4.629 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.169 2.931 -5.940 1.00 0.00 H new ATOM 525 N ALA A 37 3.654 5.478 -3.362 1.00 0.00 N ATOM 526 CA ALA A 37 2.491 5.392 -2.491 1.00 0.00 C ATOM 527 C ALA A 37 1.621 6.634 -2.608 1.00 0.00 C ATOM 528 O ALA A 37 0.425 6.537 -2.881 1.00 0.00 O ATOM 529 CB ALA A 37 2.917 5.178 -1.046 1.00 0.00 C ATOM 0 H ALA A 37 4.545 5.547 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 37 1.899 4.534 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.033 5.116 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.485 4.251 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.538 6.013 -0.722 1.00 0.00 H new ATOM 535 N GLU A 38 2.227 7.799 -2.421 1.00 0.00 N ATOM 536 CA GLU A 38 1.491 9.055 -2.474 1.00 0.00 C ATOM 537 C GLU A 38 0.964 9.326 -3.881 1.00 0.00 C ATOM 538 O GLU A 38 -0.085 9.954 -4.048 1.00 0.00 O ATOM 539 CB GLU A 38 2.365 10.214 -1.994 1.00 0.00 C ATOM 540 CG GLU A 38 2.751 10.104 -0.528 1.00 0.00 C ATOM 541 CD GLU A 38 3.360 11.381 0.013 1.00 0.00 C ATOM 542 OE1 GLU A 38 2.621 12.380 0.158 1.00 0.00 O ATOM 543 OE2 GLU A 38 4.572 11.393 0.309 1.00 0.00 O ATOM 0 H GLU A 38 3.224 7.900 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 38 0.635 8.969 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.270 10.253 -2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.834 11.152 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.868 9.851 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.461 9.286 -0.404 1.00 0.00 H new ATOM 550 N ALA A 39 1.689 8.846 -4.886 1.00 0.00 N ATOM 551 CA ALA A 39 1.245 8.962 -6.267 1.00 0.00 C ATOM 552 C ALA A 39 -0.062 8.203 -6.469 1.00 0.00 C ATOM 553 O ALA A 39 -1.010 8.726 -7.052 1.00 0.00 O ATOM 554 CB ALA A 39 2.315 8.445 -7.217 1.00 0.00 C ATOM 0 H ALA A 39 2.585 8.374 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 39 1.071 10.015 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.965 8.540 -8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.227 9.027 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.520 7.397 -6.999 1.00 0.00 H new ATOM 560 N VAL A 40 -0.103 6.975 -5.963 1.00 0.00 N ATOM 561 CA VAL A 40 -1.305 6.149 -6.029 1.00 0.00 C ATOM 562 C VAL A 40 -2.471 6.820 -5.304 1.00 0.00 C ATOM 563 O VAL A 40 -3.588 6.883 -5.827 1.00 0.00 O ATOM 564 CB VAL A 40 -1.052 4.756 -5.411 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.349 3.988 -5.237 1.00 0.00 C ATOM 566 CG2 VAL A 40 -0.083 3.961 -6.266 1.00 0.00 C ATOM 0 H VAL A 40 0.687 6.527 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.562 6.031 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.611 4.905 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.138 3.012 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.016 4.544 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.826 3.855 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.083 2.983 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.500 3.834 -7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.865 4.495 -6.333 1.00 0.00 H new ATOM 576 N VAL A 41 -2.189 7.330 -4.110 1.00 0.00 N ATOM 577 CA VAL A 41 -3.204 7.963 -3.272 1.00 0.00 C ATOM 578 C VAL A 41 -3.960 9.057 -4.024 1.00 0.00 C ATOM 579 O VAL A 41 -5.177 8.994 -4.154 1.00 0.00 O ATOM 580 CB VAL A 41 -2.587 8.570 -1.991 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.631 9.334 -1.188 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.953 7.485 -1.135 1.00 0.00 C ATOM 0 H VAL A 41 -1.257 7.317 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.904 7.174 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.811 9.272 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.169 9.750 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.037 10.143 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.435 8.657 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.525 7.933 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.712 6.757 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.167 6.987 -1.703 1.00 0.00 H new ATOM 592 N ASN A 42 -3.237 10.043 -4.533 1.00 0.00 N ATOM 593 CA ASN A 42 -3.873 11.200 -5.159 1.00 0.00 C ATOM 594 C ASN A 42 -4.521 10.825 -6.492 1.00 0.00 C ATOM 595 O ASN A 42 -5.510 11.431 -6.901 1.00 0.00 O ATOM 596 CB ASN A 42 -2.845 12.320 -5.372 1.00 0.00 C ATOM 597 CG ASN A 42 -3.471 13.624 -5.846 1.00 0.00 C ATOM 598 OD1 ASN A 42 -3.615 13.865 -7.044 1.00 0.00 O ATOM 599 ND2 ASN A 42 -3.834 14.483 -4.904 1.00 0.00 N ATOM 0 H ASN A 42 -2.217 10.069 -4.527 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.657 11.554 -4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.312 12.498 -4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.106 11.992 -6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.248 15.379 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.699 14.248 -3.921 1.00 0.00 H new ATOM 606 N ASP A 43 -3.978 9.805 -7.143 1.00 0.00 N ATOM 607 CA ASP A 43 -4.404 9.441 -8.493 1.00 0.00 C ATOM 608 C ASP A 43 -5.771 8.758 -8.506 1.00 0.00 C ATOM 609 O ASP A 43 -6.656 9.144 -9.271 1.00 0.00 O ATOM 610 CB ASP A 43 -3.355 8.534 -9.136 1.00 0.00 C ATOM 611 CG ASP A 43 -3.638 8.232 -10.594 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.771 9.185 -11.393 1.00 0.00 O ATOM 613 OD2 ASP A 43 -3.701 7.039 -10.955 1.00 0.00 O ATOM 0 H ASP A 43 -3.241 9.213 -6.760 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.501 10.362 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.376 9.006 -9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.305 7.597 -8.581 1.00 0.00 H new ATOM 618 N VAL A 44 -5.958 7.756 -7.653 1.00 0.00 N ATOM 619 CA VAL A 44 -7.180 6.953 -7.697 1.00 0.00 C ATOM 620 C VAL A 44 -8.014 7.081 -6.420 1.00 0.00 C ATOM 621 O VAL A 44 -8.879 6.246 -6.157 1.00 0.00 O ATOM 622 CB VAL A 44 -6.870 5.460 -7.954 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.259 5.268 -9.331 1.00 0.00 C ATOM 624 CG2 VAL A 44 -5.946 4.904 -6.882 1.00 0.00 C ATOM 0 H VAL A 44 -5.291 7.481 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.764 7.349 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.810 4.910 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.049 4.211 -9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.957 5.618 -10.091 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.332 5.837 -9.400 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.744 3.853 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.009 5.461 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.422 4.999 -5.906 1.00 0.00 H new ATOM 634 N LEU A 45 -7.784 8.141 -5.649 1.00 0.00 N ATOM 635 CA LEU A 45 -8.532 8.372 -4.408 1.00 0.00 C ATOM 636 C LEU A 45 -10.027 8.510 -4.691 1.00 0.00 C ATOM 637 O LEU A 45 -10.863 8.094 -3.890 1.00 0.00 O ATOM 638 CB LEU A 45 -8.005 9.634 -3.705 1.00 0.00 C ATOM 639 CG LEU A 45 -8.476 9.855 -2.260 1.00 0.00 C ATOM 640 CD1 LEU A 45 -7.458 10.686 -1.492 1.00 0.00 C ATOM 641 CD2 LEU A 45 -9.834 10.542 -2.224 1.00 0.00 C ATOM 0 H LEU A 45 -7.087 8.855 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.388 7.512 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.916 9.598 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.296 10.502 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.572 8.877 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.806 10.834 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.500 10.166 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.338 11.654 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.142 10.685 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.765 11.510 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.569 9.923 -2.739 1.00 0.00 H new ATOM 653 N PHE A 46 -10.352 9.065 -5.851 1.00 0.00 N ATOM 654 CA PHE A 46 -11.740 9.343 -6.223 1.00 0.00 C ATOM 655 C PHE A 46 -12.551 8.049 -6.381 1.00 0.00 C ATOM 656 O PHE A 46 -13.781 8.076 -6.463 1.00 0.00 O ATOM 657 CB PHE A 46 -11.770 10.159 -7.522 1.00 0.00 C ATOM 658 CG PHE A 46 -13.117 10.724 -7.868 1.00 0.00 C ATOM 659 CD1 PHE A 46 -13.600 11.848 -7.217 1.00 0.00 C ATOM 660 CD2 PHE A 46 -13.898 10.137 -8.850 1.00 0.00 C ATOM 661 CE1 PHE A 46 -14.836 12.375 -7.539 1.00 0.00 C ATOM 662 CE2 PHE A 46 -15.133 10.660 -9.178 1.00 0.00 C ATOM 663 CZ PHE A 46 -15.603 11.780 -8.523 1.00 0.00 C ATOM 0 H PHE A 46 -9.669 9.335 -6.559 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.202 9.920 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.056 10.979 -7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.433 9.525 -8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.003 12.318 -6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.536 9.259 -9.365 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.202 13.250 -7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -15.731 10.193 -9.947 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.568 12.191 -8.779 1.00 0.00 H new ATOM 673 N ALA A 47 -11.863 6.916 -6.407 1.00 0.00 N ATOM 674 CA ALA A 47 -12.522 5.630 -6.572 1.00 0.00 C ATOM 675 C ALA A 47 -12.987 5.070 -5.230 1.00 0.00 C ATOM 676 O ALA A 47 -13.738 4.093 -5.182 1.00 0.00 O ATOM 677 CB ALA A 47 -11.595 4.647 -7.263 1.00 0.00 C ATOM 0 H ALA A 47 -10.849 6.862 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.403 5.781 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.102 3.689 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.320 5.034 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.696 4.511 -6.662 1.00 0.00 H new ATOM 683 N VAL A 48 -12.548 5.695 -4.146 1.00 0.00 N ATOM 684 CA VAL A 48 -12.894 5.246 -2.802 1.00 0.00 C ATOM 685 C VAL A 48 -13.301 6.436 -1.939 1.00 0.00 C ATOM 686 O VAL A 48 -13.520 7.529 -2.461 1.00 0.00 O ATOM 687 CB VAL A 48 -11.721 4.494 -2.137 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.397 3.217 -2.896 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.486 5.380 -2.029 1.00 0.00 C ATOM 0 H VAL A 48 -11.948 6.519 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.733 4.556 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.031 4.225 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.567 2.705 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.271 2.566 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.119 3.463 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.678 4.822 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.176 5.695 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.720 6.258 -1.428 1.00 0.00 H new ATOM 699 N ASN A 49 -13.421 6.224 -0.632 1.00 0.00 N ATOM 700 CA ASN A 49 -13.752 7.314 0.282 1.00 0.00 C ATOM 701 C ASN A 49 -12.505 8.107 0.628 1.00 0.00 C ATOM 702 O ASN A 49 -12.497 9.337 0.577 1.00 0.00 O ATOM 703 CB ASN A 49 -14.377 6.804 1.586 1.00 0.00 C ATOM 704 CG ASN A 49 -15.785 6.269 1.425 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.514 6.639 0.504 1.00 0.00 O ATOM 706 ND2 ASN A 49 -16.190 5.418 2.354 1.00 0.00 N ATOM 0 H ASN A 49 -13.295 5.316 -0.184 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.478 7.945 -0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.745 6.017 1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.388 7.616 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.138 5.043 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.554 5.137 3.100 1.00 0.00 H new ATOM 713 N ASN A 50 -11.448 7.390 0.984 1.00 0.00 N ATOM 714 CA ASN A 50 -10.225 8.020 1.461 1.00 0.00 C ATOM 715 C ASN A 50 -9.056 7.050 1.339 1.00 0.00 C ATOM 716 O ASN A 50 -9.250 5.831 1.339 1.00 0.00 O ATOM 717 CB ASN A 50 -10.408 8.439 2.925 1.00 0.00 C ATOM 718 CG ASN A 50 -9.527 9.608 3.334 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.441 9.814 2.793 1.00 0.00 O ATOM 720 ND2 ASN A 50 -9.994 10.376 4.306 1.00 0.00 N ATOM 0 H ASN A 50 -11.413 6.371 0.951 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.012 8.901 0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.452 8.705 3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.190 7.587 3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.448 11.173 4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.900 10.170 4.728 1.00 0.00 H new ATOM 727 N MET A 51 -7.851 7.592 1.232 1.00 0.00 N ATOM 728 CA MET A 51 -6.643 6.786 1.137 1.00 0.00 C ATOM 729 C MET A 51 -5.458 7.578 1.685 1.00 0.00 C ATOM 730 O MET A 51 -5.350 8.782 1.445 1.00 0.00 O ATOM 731 CB MET A 51 -6.362 6.390 -0.318 1.00 0.00 C ATOM 732 CG MET A 51 -5.413 5.207 -0.450 1.00 0.00 C ATOM 733 SD MET A 51 -4.552 5.156 -2.031 1.00 0.00 S ATOM 734 CE MET A 51 -5.921 5.138 -3.185 1.00 0.00 C ATOM 0 H MET A 51 -7.684 8.598 1.209 1.00 0.00 H new ATOM 0 HA MET A 51 -6.787 5.878 1.722 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.304 6.147 -0.809 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.940 7.246 -0.845 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.679 5.248 0.354 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.976 4.283 -0.321 1.00 0.00 H new ATOM 0 HE1 MET A 51 -5.772 4.341 -3.914 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.851 4.966 -2.643 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.974 6.096 -3.701 1.00 0.00 H new ATOM 744 N PHE A 52 -4.584 6.914 2.429 1.00 0.00 N ATOM 745 CA PHE A 52 -3.397 7.564 2.976 1.00 0.00 C ATOM 746 C PHE A 52 -2.323 6.532 3.302 1.00 0.00 C ATOM 747 O PHE A 52 -2.633 5.380 3.595 1.00 0.00 O ATOM 748 CB PHE A 52 -3.745 8.384 4.226 1.00 0.00 C ATOM 749 CG PHE A 52 -4.308 7.577 5.360 1.00 0.00 C ATOM 750 CD1 PHE A 52 -5.656 7.257 5.401 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.488 7.144 6.389 1.00 0.00 C ATOM 752 CE1 PHE A 52 -6.173 6.520 6.445 1.00 0.00 C ATOM 753 CE2 PHE A 52 -4.000 6.404 7.435 1.00 0.00 C ATOM 754 CZ PHE A 52 -5.344 6.092 7.463 1.00 0.00 C ATOM 0 H PHE A 52 -4.673 5.926 2.668 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.008 8.245 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.847 8.896 4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.466 9.154 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.308 7.589 4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.436 7.388 6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.225 6.278 6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.350 6.070 8.230 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.747 5.513 8.281 1.00 0.00 H new ATOM 764 N VAL A 53 -1.067 6.949 3.236 1.00 0.00 N ATOM 765 CA VAL A 53 0.049 6.064 3.542 1.00 0.00 C ATOM 766 C VAL A 53 0.189 5.887 5.056 1.00 0.00 C ATOM 767 O VAL A 53 -0.029 6.829 5.824 1.00 0.00 O ATOM 768 CB VAL A 53 1.371 6.593 2.931 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.741 7.950 3.511 1.00 0.00 C ATOM 770 CG2 VAL A 53 2.505 5.595 3.128 1.00 0.00 C ATOM 0 H VAL A 53 -0.794 7.896 2.973 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.159 5.093 3.094 1.00 0.00 H new ATOM 0 HB VAL A 53 1.212 6.717 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.673 8.295 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.948 8.666 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.868 7.862 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.420 5.993 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.658 5.424 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.249 4.653 2.642 1.00 0.00 H new ATOM 780 N SER A 54 0.524 4.678 5.477 1.00 0.00 N ATOM 781 CA SER A 54 0.626 4.362 6.893 1.00 0.00 C ATOM 782 C SER A 54 1.961 4.823 7.474 1.00 0.00 C ATOM 783 O SER A 54 3.028 4.409 7.022 1.00 0.00 O ATOM 784 CB SER A 54 0.465 2.862 7.090 1.00 0.00 C ATOM 785 OG SER A 54 -0.687 2.384 6.419 1.00 0.00 O ATOM 0 H SER A 54 0.731 3.896 4.855 1.00 0.00 H new ATOM 0 HA SER A 54 -0.167 4.892 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.349 2.345 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.390 2.637 8.154 1.00 0.00 H new ATOM 0 HG SER A 54 -0.477 2.237 5.473 1.00 0.00 H new ATOM 791 N LYS A 55 1.890 5.670 8.490 1.00 0.00 N ATOM 792 CA LYS A 55 3.077 6.218 9.134 1.00 0.00 C ATOM 793 C LYS A 55 3.191 5.717 10.568 1.00 0.00 C ATOM 794 O LYS A 55 3.926 6.283 11.374 1.00 0.00 O ATOM 795 CB LYS A 55 3.002 7.745 9.147 1.00 0.00 C ATOM 796 CG LYS A 55 3.025 8.389 7.771 1.00 0.00 C ATOM 797 CD LYS A 55 2.635 9.859 7.852 1.00 0.00 C ATOM 798 CE LYS A 55 3.493 10.610 8.864 1.00 0.00 C ATOM 799 NZ LYS A 55 2.934 11.950 9.187 1.00 0.00 N ATOM 0 H LYS A 55 1.011 5.997 8.891 1.00 0.00 H new ATOM 0 HA LYS A 55 3.951 5.892 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.089 8.047 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.838 8.132 9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.021 8.296 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.339 7.863 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.742 10.320 6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.585 9.943 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.573 10.021 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.502 10.724 8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.549 12.425 9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.881 12.522 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.981 11.841 9.589 1.00 0.00 H new ATOM 813 N SER A 56 2.490 4.635 10.873 1.00 0.00 N ATOM 814 CA SER A 56 2.379 4.154 12.244 1.00 0.00 C ATOM 815 C SER A 56 2.578 2.660 12.225 1.00 0.00 C ATOM 816 O SER A 56 2.258 1.941 13.170 1.00 0.00 O ATOM 817 CB SER A 56 0.996 4.496 12.800 1.00 0.00 C ATOM 818 OG SER A 56 0.729 5.886 12.684 1.00 0.00 O ATOM 0 H SER A 56 1.988 4.071 10.188 1.00 0.00 H new ATOM 0 HA SER A 56 3.129 4.625 12.879 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.235 3.930 12.263 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.937 4.197 13.847 1.00 0.00 H new ATOM 0 HG SER A 56 -0.162 6.079 13.045 1.00 0.00 H new ATOM 824 N LEU A 57 3.162 2.229 11.135 1.00 0.00 N ATOM 825 CA LEU A 57 3.131 0.855 10.730 1.00 0.00 C ATOM 826 C LEU A 57 4.546 0.378 10.406 1.00 0.00 C ATOM 827 O LEU A 57 5.210 -0.203 11.263 1.00 0.00 O ATOM 828 CB LEU A 57 2.156 0.791 9.548 1.00 0.00 C ATOM 829 CG LEU A 57 2.153 -0.452 8.681 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.125 -1.700 9.515 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.942 -0.434 7.778 1.00 0.00 C ATOM 0 H LEU A 57 3.679 2.835 10.498 1.00 0.00 H new ATOM 0 HA LEU A 57 2.783 0.180 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.148 0.923 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.361 1.645 8.903 1.00 0.00 H new ATOM 0 HG LEU A 57 3.068 -0.453 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.123 -2.573 8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.005 -1.728 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.226 -1.706 10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.940 -1.328 7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.036 -0.412 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.975 0.451 7.143 1.00 0.00 H new ATOM 843 N ARG A 58 4.996 0.640 9.186 1.00 0.00 N ATOM 844 CA ARG A 58 6.400 0.481 8.803 1.00 0.00 C ATOM 845 C ARG A 58 6.532 0.705 7.307 1.00 0.00 C ATOM 846 O ARG A 58 5.653 0.313 6.535 1.00 0.00 O ATOM 847 CB ARG A 58 7.003 -0.894 9.184 1.00 0.00 C ATOM 848 CG ARG A 58 6.688 -2.036 8.226 1.00 0.00 C ATOM 849 CD ARG A 58 5.326 -2.654 8.485 1.00 0.00 C ATOM 850 NE ARG A 58 5.259 -3.340 9.775 1.00 0.00 N ATOM 851 CZ ARG A 58 5.195 -4.668 9.914 1.00 0.00 C ATOM 852 NH1 ARG A 58 5.323 -5.468 8.859 1.00 0.00 N ATOM 853 NH2 ARG A 58 5.034 -5.199 11.118 1.00 0.00 N ATOM 0 H ARG A 58 4.398 0.970 8.428 1.00 0.00 H new ATOM 0 HA ARG A 58 6.967 1.223 9.364 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.086 -0.790 9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.644 -1.166 10.177 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.727 -1.667 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.455 -2.805 8.317 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.565 -1.875 8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.094 -3.361 7.689 1.00 0.00 H new ATOM 0 HE ARG A 58 5.261 -2.770 10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.472 -5.070 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.272 -6.480 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.959 -4.594 11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.985 -6.212 11.226 1.00 0.00 H new ATOM 867 N CYS A 59 7.604 1.359 6.905 1.00 0.00 N ATOM 868 CA CYS A 59 7.859 1.599 5.500 1.00 0.00 C ATOM 869 C CYS A 59 9.347 1.569 5.192 1.00 0.00 C ATOM 870 O CYS A 59 10.008 2.602 5.100 1.00 0.00 O ATOM 871 CB CYS A 59 7.226 2.918 5.050 1.00 0.00 C ATOM 872 SG CYS A 59 7.518 4.307 6.172 1.00 0.00 S ATOM 0 H CYS A 59 8.314 1.734 7.534 1.00 0.00 H new ATOM 0 HA CYS A 59 7.394 0.792 4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.613 3.175 4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.151 2.773 4.942 1.00 0.00 H new ATOM 0 HG CYS A 59 6.944 5.374 5.700 1.00 0.00 H new ATOM 878 N ALA A 60 9.868 0.364 5.065 1.00 0.00 N ATOM 879 CA ALA A 60 11.194 0.158 4.554 1.00 0.00 C ATOM 880 C ALA A 60 11.041 0.091 3.062 1.00 0.00 C ATOM 881 O ALA A 60 10.575 -0.908 2.556 1.00 0.00 O ATOM 882 CB ALA A 60 11.807 -1.120 5.111 1.00 0.00 C ATOM 0 H ALA A 60 9.378 -0.495 5.315 1.00 0.00 H new ATOM 0 HA ALA A 60 11.869 0.961 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.811 -1.249 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.860 -1.055 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.190 -1.973 4.829 1.00 0.00 H new ATOM 888 N ASP A 61 11.396 1.196 2.425 1.00 0.00 N ATOM 889 CA ASP A 61 11.070 1.559 1.018 1.00 0.00 C ATOM 890 C ASP A 61 10.956 0.424 -0.015 1.00 0.00 C ATOM 891 O ASP A 61 10.424 0.651 -1.096 1.00 0.00 O ATOM 892 CB ASP A 61 12.061 2.602 0.521 1.00 0.00 C ATOM 893 CG ASP A 61 11.900 3.913 1.259 1.00 0.00 C ATOM 894 OD1 ASP A 61 10.933 4.646 0.975 1.00 0.00 O ATOM 895 OD2 ASP A 61 12.731 4.202 2.144 1.00 0.00 O ATOM 0 H ASP A 61 11.951 1.917 2.885 1.00 0.00 H new ATOM 0 HA ASP A 61 10.050 1.938 1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.078 2.232 0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.916 2.764 -0.547 1.00 0.00 H new ATOM 900 N ASP A 62 11.448 -0.765 0.275 1.00 0.00 N ATOM 901 CA ASP A 62 11.119 -1.938 -0.538 1.00 0.00 C ATOM 902 C ASP A 62 9.618 -2.226 -0.419 1.00 0.00 C ATOM 903 O ASP A 62 8.994 -2.794 -1.317 1.00 0.00 O ATOM 904 CB ASP A 62 11.928 -3.150 -0.060 1.00 0.00 C ATOM 905 CG ASP A 62 11.612 -4.423 -0.830 1.00 0.00 C ATOM 906 OD1 ASP A 62 10.605 -5.095 -0.508 1.00 0.00 O ATOM 907 OD2 ASP A 62 12.386 -4.775 -1.742 1.00 0.00 O ATOM 0 H ASP A 62 12.073 -0.952 1.059 1.00 0.00 H new ATOM 0 HA ASP A 62 11.370 -1.742 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.991 -2.930 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.731 -3.315 0.999 1.00 0.00 H new ATOM 912 N VAL A 63 9.052 -1.790 0.701 1.00 0.00 N ATOM 913 CA VAL A 63 7.655 -2.003 1.021 1.00 0.00 C ATOM 914 C VAL A 63 7.077 -0.768 1.717 1.00 0.00 C ATOM 915 O VAL A 63 7.756 -0.115 2.512 1.00 0.00 O ATOM 916 CB VAL A 63 7.469 -3.232 1.945 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.203 -3.040 3.268 1.00 0.00 C ATOM 918 CG2 VAL A 63 5.995 -3.503 2.195 1.00 0.00 C ATOM 0 H VAL A 63 9.561 -1.273 1.418 1.00 0.00 H new ATOM 0 HA VAL A 63 7.128 -2.184 0.084 1.00 0.00 H new ATOM 0 HB VAL A 63 7.899 -4.096 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.055 -3.918 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.268 -2.905 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.811 -2.159 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.890 -4.371 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.541 -2.634 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.495 -3.699 1.246 1.00 0.00 H new ATOM 928 N ALA A 64 5.836 -0.443 1.401 1.00 0.00 N ATOM 929 CA ALA A 64 5.117 0.617 2.095 1.00 0.00 C ATOM 930 C ALA A 64 3.629 0.315 2.079 1.00 0.00 C ATOM 931 O ALA A 64 3.050 0.112 1.014 1.00 0.00 O ATOM 932 CB ALA A 64 5.393 1.970 1.452 1.00 0.00 C ATOM 0 H ALA A 64 5.300 -0.900 0.663 1.00 0.00 H new ATOM 0 HA ALA A 64 5.464 0.660 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.845 2.746 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.461 2.183 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.070 1.951 0.411 1.00 0.00 H new ATOM 938 N TYR A 65 3.006 0.255 3.248 1.00 0.00 N ATOM 939 CA TYR A 65 1.588 -0.042 3.307 1.00 0.00 C ATOM 940 C TYR A 65 0.750 1.218 3.152 1.00 0.00 C ATOM 941 O TYR A 65 1.091 2.286 3.669 1.00 0.00 O ATOM 942 CB TYR A 65 1.245 -0.731 4.616 1.00 0.00 C ATOM 943 CG TYR A 65 1.966 -2.041 4.830 1.00 0.00 C ATOM 944 CD1 TYR A 65 3.301 -2.068 5.208 1.00 0.00 C ATOM 945 CD2 TYR A 65 1.310 -3.251 4.658 1.00 0.00 C ATOM 946 CE1 TYR A 65 3.963 -3.259 5.405 1.00 0.00 C ATOM 947 CE2 TYR A 65 1.966 -4.449 4.857 1.00 0.00 C ATOM 948 CZ TYR A 65 3.291 -4.447 5.228 1.00 0.00 C ATOM 949 OH TYR A 65 3.951 -5.639 5.417 1.00 0.00 O ATOM 0 H TYR A 65 3.454 0.406 4.152 1.00 0.00 H new ATOM 0 HA TYR A 65 1.356 -0.710 2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.482 -0.059 5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.170 -0.910 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.830 -1.138 5.350 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.271 -3.256 4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.003 -3.261 5.697 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.442 -5.384 4.722 1.00 0.00 H new ATOM 0 HH TYR A 65 4.181 -6.027 4.547 1.00 0.00 H new ATOM 959 N ILE A 66 -0.341 1.078 2.427 1.00 0.00 N ATOM 960 CA ILE A 66 -1.273 2.164 2.207 1.00 0.00 C ATOM 961 C ILE A 66 -2.641 1.779 2.747 1.00 0.00 C ATOM 962 O ILE A 66 -3.118 0.666 2.521 1.00 0.00 O ATOM 963 CB ILE A 66 -1.406 2.506 0.708 1.00 0.00 C ATOM 964 CG1 ILE A 66 -0.032 2.772 0.090 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.312 3.713 0.519 1.00 0.00 C ATOM 966 CD1 ILE A 66 -0.086 3.037 -1.401 1.00 0.00 C ATOM 0 H ILE A 66 -0.607 0.204 1.972 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.889 3.041 2.728 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.852 1.651 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.423 3.628 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.615 1.914 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.396 3.942 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.300 3.493 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.890 4.571 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.922 3.218 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.512 2.172 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.707 3.912 -1.593 1.00 0.00 H new ATOM 978 N ASN A 67 -3.257 2.693 3.468 1.00 0.00 N ATOM 979 CA ASN A 67 -4.577 2.465 4.028 1.00 0.00 C ATOM 980 C ASN A 67 -5.636 3.057 3.114 1.00 0.00 C ATOM 981 O ASN A 67 -5.788 4.280 3.033 1.00 0.00 O ATOM 982 CB ASN A 67 -4.693 3.087 5.423 1.00 0.00 C ATOM 983 CG ASN A 67 -3.858 2.379 6.474 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.628 1.174 6.401 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.404 3.129 7.469 1.00 0.00 N ATOM 0 H ASN A 67 -2.862 3.609 3.682 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.731 1.389 4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.388 4.132 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.738 3.074 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.842 2.709 8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.617 4.126 7.494 1.00 0.00 H new ATOM 992 N VAL A 68 -6.351 2.199 2.407 1.00 0.00 N ATOM 993 CA VAL A 68 -7.403 2.650 1.513 1.00 0.00 C ATOM 994 C VAL A 68 -8.767 2.203 2.031 1.00 0.00 C ATOM 995 O VAL A 68 -8.933 1.068 2.479 1.00 0.00 O ATOM 996 CB VAL A 68 -7.182 2.140 0.066 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.200 0.621 0.003 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.218 2.728 -0.879 1.00 0.00 C ATOM 0 H VAL A 68 -6.222 1.188 2.435 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.372 3.739 1.488 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.195 2.475 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.042 0.298 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.407 0.221 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.164 0.254 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.043 2.356 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.216 2.435 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.139 3.815 -0.874 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.728 3.110 1.997 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.083 2.800 2.418 1.00 0.00 C ATOM 1010 C GLU A 69 -12.029 2.921 1.232 1.00 0.00 C ATOM 1011 O GLU A 69 -12.198 4.008 0.677 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.530 3.745 3.535 1.00 0.00 C ATOM 1013 CG GLU A 69 -12.871 3.370 4.141 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.445 4.453 5.029 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -12.952 4.632 6.163 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -14.411 5.122 4.602 1.00 0.00 O ATOM 0 H GLU A 69 -9.594 4.070 1.681 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.105 1.779 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.774 3.751 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.589 4.760 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.577 3.153 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.757 2.455 4.722 1.00 0.00 H new ATOM 1023 N THR A 70 -12.628 1.803 0.842 1.00 0.00 N ATOM 1024 CA THR A 70 -13.557 1.776 -0.280 1.00 0.00 C ATOM 1025 C THR A 70 -14.785 2.633 0.006 1.00 0.00 C ATOM 1026 O THR A 70 -14.987 3.082 1.133 1.00 0.00 O ATOM 1027 CB THR A 70 -14.007 0.337 -0.587 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.653 -0.228 0.560 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.816 -0.523 -0.976 1.00 0.00 C ATOM 0 H THR A 70 -12.486 0.898 1.290 1.00 0.00 H new ATOM 0 HA THR A 70 -13.032 2.181 -1.145 1.00 0.00 H new ATOM 0 HB THR A 70 -14.708 0.365 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.977 -0.497 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.154 -1.537 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.340 -0.105 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.099 -0.545 -0.155 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.622 2.837 -1.006 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.791 3.700 -0.863 1.00 0.00 C ATOM 1039 C LYS A 71 -17.827 3.086 0.080 1.00 0.00 C ATOM 1040 O LYS A 71 -18.729 3.775 0.558 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.406 4.000 -2.232 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.473 4.787 -3.139 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.151 5.231 -4.425 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.237 6.148 -5.224 1.00 0.00 C ATOM 1045 NZ LYS A 71 -16.943 6.819 -6.348 1.00 0.00 N ATOM 0 H LYS A 71 -15.514 2.419 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.462 4.640 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.672 3.062 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.330 4.561 -2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.105 5.663 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.605 4.174 -3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.413 4.359 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.081 5.749 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.816 6.904 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.402 5.569 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.277 7.432 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.322 6.101 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.724 7.394 -5.973 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.671 1.798 0.369 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.543 1.108 1.317 1.00 0.00 C ATOM 1061 C GLU A 72 -17.931 1.135 2.716 1.00 0.00 C ATOM 1062 O GLU A 72 -18.406 0.458 3.630 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.770 -0.336 0.873 1.00 0.00 C ATOM 1064 CG GLU A 72 -19.455 -0.451 -0.478 1.00 0.00 C ATOM 1065 CD GLU A 72 -20.792 0.261 -0.514 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -21.796 -0.328 -0.060 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -20.849 1.404 -1.007 1.00 0.00 O ATOM 0 H GLU A 72 -16.947 1.208 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.503 1.623 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.810 -0.850 0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.373 -0.848 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.805 -0.035 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.601 -1.504 -0.719 1.00 0.00 H new ATOM 1074 N ARG A 73 -16.858 1.914 2.854 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.142 2.088 4.120 1.00 0.00 C ATOM 1076 C ARG A 73 -15.360 0.833 4.495 1.00 0.00 C ATOM 1077 O ARG A 73 -14.786 0.752 5.578 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.087 2.492 5.259 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.795 3.817 5.024 1.00 0.00 C ATOM 1080 CD ARG A 73 -17.700 4.722 6.241 1.00 0.00 C ATOM 1081 NE ARG A 73 -16.323 5.132 6.509 1.00 0.00 N ATOM 1082 CZ ARG A 73 -15.935 5.814 7.586 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -16.817 6.179 8.508 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -14.656 6.125 7.738 1.00 0.00 N ATOM 0 H ARG A 73 -16.457 2.448 2.083 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.432 2.901 3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -17.834 1.710 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.518 2.553 6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.355 4.318 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.843 3.634 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -18.318 5.606 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -18.100 4.203 7.112 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.610 4.879 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.802 5.938 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.510 6.701 9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.975 5.843 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.352 6.647 8.560 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.329 -0.134 3.588 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.534 -1.336 3.791 1.00 0.00 C ATOM 1100 C ASN A 74 -13.073 -1.015 3.507 1.00 0.00 C ATOM 1101 O ASN A 74 -12.734 -0.539 2.422 1.00 0.00 O ATOM 1102 CB ASN A 74 -15.027 -2.475 2.888 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.273 -3.772 3.120 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -13.787 -4.034 4.221 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -14.182 -4.596 2.088 1.00 0.00 N ATOM 0 H ASN A 74 -15.843 -0.109 2.708 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.638 -1.669 4.824 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.090 -2.640 3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.920 -2.179 1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.695 -5.487 2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.599 -4.340 1.193 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.221 -1.252 4.485 1.00 0.00 N ATOM 1113 CA ARG A 75 -10.828 -0.840 4.400 1.00 0.00 C ATOM 1114 C ARG A 75 -9.946 -1.980 3.926 1.00 0.00 C ATOM 1115 O ARG A 75 -10.203 -3.145 4.221 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.340 -0.357 5.763 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.176 0.764 6.342 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.349 0.584 7.836 1.00 0.00 C ATOM 1119 NE ARG A 75 -11.969 -0.701 8.151 1.00 0.00 N ATOM 1120 CZ ARG A 75 -13.186 -0.825 8.675 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -13.910 0.254 8.951 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -13.677 -2.032 8.922 1.00 0.00 N ATOM 0 H ARG A 75 -12.467 -1.729 5.352 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.764 -0.027 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.341 -1.196 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.308 -0.020 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.699 1.723 6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.152 0.784 5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.378 0.651 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.963 1.393 8.233 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.439 -1.551 7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.534 1.183 8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.842 0.154 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.122 -2.861 8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.609 -2.131 9.324 1.00 0.00 H new ATOM 1136 N TYR A 76 -8.916 -1.630 3.183 1.00 0.00 N ATOM 1137 CA TYR A 76 -7.915 -2.585 2.757 1.00 0.00 C ATOM 1138 C TYR A 76 -6.530 -2.028 3.034 1.00 0.00 C ATOM 1139 O TYR A 76 -6.136 -1.012 2.463 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.061 -2.904 1.265 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.282 -3.732 0.925 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -9.260 -5.112 1.064 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.447 -3.137 0.461 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -10.367 -5.877 0.756 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.559 -3.896 0.149 1.00 0.00 C ATOM 1146 CZ TYR A 76 -11.512 -5.267 0.298 1.00 0.00 C ATOM 1147 OH TYR A 76 -12.616 -6.030 -0.004 1.00 0.00 O ATOM 0 H TYR A 76 -8.750 -0.677 2.858 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.057 -3.509 3.318 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.103 -1.969 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.170 -3.435 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.362 -5.596 1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.485 -2.064 0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.334 -6.950 0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.459 -3.419 -0.209 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.341 -5.448 -0.313 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.811 -2.667 3.938 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.434 -2.299 4.187 1.00 0.00 C ATOM 1159 C CYS A 77 -3.573 -2.960 3.122 1.00 0.00 C ATOM 1160 O CYS A 77 -3.417 -4.185 3.107 1.00 0.00 O ATOM 1161 CB CYS A 77 -3.996 -2.729 5.590 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.442 -1.982 6.141 1.00 0.00 S ATOM 0 H CYS A 77 -6.157 -3.439 4.508 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.323 -1.216 4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.782 -2.471 6.299 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.892 -3.814 5.610 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.615 -0.707 6.325 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.058 -2.158 2.209 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.357 -2.684 1.054 1.00 0.00 C ATOM 1170 C LEU A 78 -0.852 -2.607 1.236 1.00 0.00 C ATOM 1171 O LEU A 78 -0.314 -1.582 1.635 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.770 -1.924 -0.208 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.263 -1.976 -0.538 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.540 -1.240 -1.838 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.737 -3.417 -0.628 1.00 0.00 C ATOM 0 H LEU A 78 -3.112 -1.140 2.245 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.631 -3.734 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.474 -0.881 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.213 -2.326 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.815 -1.484 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.606 -1.285 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.233 -0.199 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.980 -1.708 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.801 -3.436 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.183 -3.934 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.568 -3.916 0.326 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.187 -3.701 0.931 1.00 0.00 N ATOM 1188 CA GLU A 79 1.254 -3.768 0.982 1.00 0.00 C ATOM 1189 C GLU A 79 1.818 -3.453 -0.394 1.00 0.00 C ATOM 1190 O GLU A 79 1.815 -4.302 -1.286 1.00 0.00 O ATOM 1191 CB GLU A 79 1.690 -5.164 1.433 1.00 0.00 C ATOM 1192 CG GLU A 79 3.194 -5.332 1.557 1.00 0.00 C ATOM 1193 CD GLU A 79 3.591 -6.726 1.995 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.794 -7.592 1.122 1.00 0.00 O ATOM 1195 OE2 GLU A 79 3.709 -6.960 3.218 1.00 0.00 O ATOM 0 H GLU A 79 -0.634 -4.570 0.640 1.00 0.00 H new ATOM 0 HA GLU A 79 1.633 -3.038 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.230 -5.383 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.310 -5.899 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.661 -5.110 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.579 -4.607 2.274 1.00 0.00 H new ATOM 1202 N LEU A 80 2.246 -2.214 -0.577 1.00 0.00 N ATOM 1203 CA LEU A 80 2.818 -1.790 -1.839 1.00 0.00 C ATOM 1204 C LEU A 80 4.283 -2.190 -1.902 1.00 0.00 C ATOM 1205 O LEU A 80 5.104 -1.718 -1.115 1.00 0.00 O ATOM 1206 CB LEU A 80 2.660 -0.276 -2.018 1.00 0.00 C ATOM 1207 CG LEU A 80 3.240 0.296 -3.313 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.598 -0.364 -4.525 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.043 1.803 -3.360 1.00 0.00 C ATOM 0 H LEU A 80 2.207 -1.485 0.136 1.00 0.00 H new ATOM 0 HA LEU A 80 2.286 -2.283 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.599 -0.031 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.136 0.224 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 80 4.309 0.085 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.024 0.056 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.787 -1.437 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.523 -0.184 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.461 2.196 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.978 2.032 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.549 2.263 -2.511 1.00 0.00 H new ATOM 1221 N THR A 81 4.587 -3.086 -2.823 1.00 0.00 N ATOM 1222 CA THR A 81 5.937 -3.590 -3.000 1.00 0.00 C ATOM 1223 C THR A 81 6.315 -3.572 -4.474 1.00 0.00 C ATOM 1224 O THR A 81 5.504 -3.197 -5.324 1.00 0.00 O ATOM 1225 CB THR A 81 6.058 -5.034 -2.471 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.008 -5.845 -3.021 1.00 0.00 O ATOM 1227 CG2 THR A 81 5.989 -5.078 -0.956 1.00 0.00 C ATOM 0 H THR A 81 3.906 -3.485 -3.469 1.00 0.00 H new ATOM 0 HA THR A 81 6.611 -2.945 -2.437 1.00 0.00 H new ATOM 0 HB THR A 81 7.028 -5.423 -2.780 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.398 -5.281 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.077 -6.110 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.804 -4.488 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.036 -4.667 -0.623 1.00 0.00 H new ATOM 1235 N GLU A 82 7.531 -4.001 -4.783 1.00 0.00 N ATOM 1236 CA GLU A 82 7.970 -4.109 -6.167 1.00 0.00 C ATOM 1237 C GLU A 82 7.284 -5.283 -6.858 1.00 0.00 C ATOM 1238 O GLU A 82 7.385 -5.451 -8.075 1.00 0.00 O ATOM 1239 CB GLU A 82 9.486 -4.268 -6.235 1.00 0.00 C ATOM 1240 CG GLU A 82 10.241 -2.984 -5.938 1.00 0.00 C ATOM 1241 CD GLU A 82 9.976 -1.911 -6.974 1.00 0.00 C ATOM 1242 OE1 GLU A 82 10.673 -1.899 -8.011 1.00 0.00 O ATOM 1243 OE2 GLU A 82 9.069 -1.082 -6.767 1.00 0.00 O ATOM 0 H GLU A 82 8.230 -4.280 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 82 7.692 -3.192 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.796 -5.035 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.763 -4.622 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.953 -2.615 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.310 -3.194 -5.900 1.00 0.00 H new ATOM 1250 N ALA A 83 6.585 -6.093 -6.072 1.00 0.00 N ATOM 1251 CA ALA A 83 5.848 -7.232 -6.599 1.00 0.00 C ATOM 1252 C ALA A 83 4.372 -6.883 -6.774 1.00 0.00 C ATOM 1253 O ALA A 83 3.573 -7.722 -7.188 1.00 0.00 O ATOM 1254 CB ALA A 83 6.006 -8.435 -5.681 1.00 0.00 C ATOM 0 H ALA A 83 6.514 -5.980 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 83 6.258 -7.485 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.449 -9.279 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.061 -8.699 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.621 -8.190 -4.691 1.00 0.00 H new ATOM 1260 N GLY A 84 4.013 -5.646 -6.450 1.00 0.00 N ATOM 1261 CA GLY A 84 2.639 -5.212 -6.604 1.00 0.00 C ATOM 1262 C GLY A 84 1.988 -4.851 -5.283 1.00 0.00 C ATOM 1263 O GLY A 84 2.675 -4.560 -4.301 1.00 0.00 O ATOM 0 H GLY A 84 4.649 -4.937 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.607 -4.348 -7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.064 -6.004 -7.084 1.00 0.00 H new ATOM 1267 N LEU A 85 0.661 -4.873 -5.266 1.00 0.00 N ATOM 1268 CA LEU A 85 -0.104 -4.522 -4.077 1.00 0.00 C ATOM 1269 C LEU A 85 -0.785 -5.756 -3.494 1.00 0.00 C ATOM 1270 O LEU A 85 -1.496 -6.481 -4.195 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.160 -3.452 -4.384 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.636 -2.061 -4.762 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.124 -2.040 -6.193 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.730 -1.021 -4.572 1.00 0.00 C ATOM 0 H LEU A 85 0.089 -5.133 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 85 0.597 -4.116 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.785 -3.814 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.804 -3.348 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 85 0.199 -1.819 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.241 -1.042 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.688 -2.759 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.934 -2.304 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.348 -0.037 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.581 -1.267 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.047 -1.012 -3.529 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.556 -5.977 -2.209 1.00 0.00 N ATOM 1287 CA LYS A 86 -1.094 -7.129 -1.489 1.00 0.00 C ATOM 1288 C LYS A 86 -2.089 -6.659 -0.418 1.00 0.00 C ATOM 1289 O LYS A 86 -2.010 -5.526 0.033 1.00 0.00 O ATOM 1290 CB LYS A 86 0.087 -7.883 -0.860 1.00 0.00 C ATOM 1291 CG LYS A 86 -0.281 -9.032 0.064 1.00 0.00 C ATOM 1292 CD LYS A 86 0.957 -9.553 0.775 1.00 0.00 C ATOM 1293 CE LYS A 86 0.633 -10.670 1.747 1.00 0.00 C ATOM 1294 NZ LYS A 86 1.838 -11.090 2.509 1.00 0.00 N ATOM 0 H LYS A 86 0.012 -5.360 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.632 -7.793 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.714 -8.273 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.692 -7.170 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.016 -8.698 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.745 -9.835 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.673 -9.913 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.437 -8.735 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.141 -10.339 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.229 -11.523 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.584 -11.856 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.566 -11.428 1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.208 -10.281 3.047 1.00 0.00 H new ATOM 1308 N VAL A 87 -3.035 -7.504 -0.031 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.989 -7.140 1.018 1.00 0.00 C ATOM 1310 C VAL A 87 -3.614 -7.825 2.331 1.00 0.00 C ATOM 1311 O VAL A 87 -3.632 -9.054 2.423 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.435 -7.533 0.639 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.415 -7.092 1.716 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.818 -6.944 -0.711 1.00 0.00 C ATOM 0 H VAL A 87 -3.165 -8.438 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.945 -6.057 1.134 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.481 -8.619 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.426 -7.379 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.157 -7.571 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.365 -6.009 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.840 -7.233 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.749 -5.857 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.140 -7.319 -1.477 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.268 -7.034 3.343 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.788 -7.588 4.607 1.00 0.00 C ATOM 1326 C VAL A 88 -3.774 -7.385 5.760 1.00 0.00 C ATOM 1327 O VAL A 88 -3.604 -7.973 6.827 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.418 -6.994 5.002 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.369 -7.323 3.953 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.520 -5.493 5.207 1.00 0.00 C ATOM 0 H VAL A 88 -3.310 -6.015 3.314 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.686 -8.659 4.435 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.111 -7.445 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.589 -6.896 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.271 -8.405 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.671 -6.905 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.543 -5.096 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.854 -5.021 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.236 -5.282 6.001 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.801 -6.567 5.561 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.742 -6.322 6.640 1.00 0.00 C ATOM 1342 C GLY A 89 -6.989 -5.591 6.193 1.00 0.00 C ATOM 1343 O GLY A 89 -7.008 -4.984 5.125 1.00 0.00 O ATOM 0 H GLY A 89 -4.998 -6.076 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.028 -7.274 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.248 -5.741 7.418 1.00 0.00 H new ATOM 1347 N TYR A 90 -8.026 -5.643 7.030 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.311 -5.008 6.726 1.00 0.00 C ATOM 1349 C TYR A 90 -9.439 -3.666 7.441 1.00 0.00 C ATOM 1350 O TYR A 90 -10.522 -3.079 7.493 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.474 -5.902 7.171 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.432 -7.314 6.635 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.912 -7.614 5.365 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.926 -8.352 7.407 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.884 -8.908 4.881 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.896 -9.646 6.931 1.00 0.00 C ATOM 1357 CZ TYR A 90 -10.375 -9.920 5.669 1.00 0.00 C ATOM 1358 OH TYR A 90 -10.349 -11.211 5.195 1.00 0.00 O ATOM 0 H TYR A 90 -8.001 -6.122 7.930 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.349 -4.855 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.486 -5.943 8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.410 -5.438 6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.313 -6.824 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.550 -8.142 8.397 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.258 -9.126 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.499 -10.441 7.545 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.959 -11.801 5.873 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.338 -3.190 8.003 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.348 -1.955 8.774 1.00 0.00 C ATOM 1370 C ALA A 91 -7.062 -1.172 8.562 1.00 0.00 C ATOM 1371 O ALA A 91 -6.126 -1.661 7.931 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.548 -2.257 10.253 1.00 0.00 C ATOM 0 H ALA A 91 -7.425 -3.641 7.940 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.179 -1.342 8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.553 -1.324 10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.498 -2.772 10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.736 -2.891 10.608 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.023 0.038 9.103 1.00 0.00 N ATOM 1379 CA PHE A 92 -5.864 0.907 8.959 1.00 0.00 C ATOM 1380 C PHE A 92 -4.704 0.388 9.803 1.00 0.00 C ATOM 1381 O PHE A 92 -4.872 0.130 11.000 1.00 0.00 O ATOM 1382 CB PHE A 92 -6.216 2.336 9.385 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.445 2.890 8.718 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.463 3.137 7.357 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -8.580 3.172 9.461 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.588 3.656 6.745 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -9.710 3.690 8.856 1.00 0.00 C ATOM 1388 CZ PHE A 92 -9.712 3.932 7.496 1.00 0.00 C ATOM 0 H PHE A 92 -7.785 0.441 9.648 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.565 0.912 7.911 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.361 2.356 10.465 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.371 2.988 9.165 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.586 2.921 6.765 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.582 2.985 10.525 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.587 3.845 5.682 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.589 3.905 9.445 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.593 4.337 7.021 1.00 0.00 H new ATOM 1398 N ASP A 93 -3.540 0.215 9.171 1.00 0.00 N ATOM 1399 CA ASP A 93 -2.333 -0.243 9.861 1.00 0.00 C ATOM 1400 C ASP A 93 -2.523 -1.656 10.397 1.00 0.00 C ATOM 1401 O ASP A 93 -1.851 -2.077 11.336 1.00 0.00 O ATOM 1402 CB ASP A 93 -1.960 0.714 11.003 1.00 0.00 C ATOM 1403 CG ASP A 93 -1.414 2.039 10.508 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -2.182 2.827 9.923 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -0.219 2.310 10.730 1.00 0.00 O ATOM 0 H ASP A 93 -3.409 0.387 8.174 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.516 -0.253 9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.840 0.897 11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.217 0.237 11.642 1.00 0.00 H new ATOM 1410 N GLN A 94 -3.431 -2.394 9.776 1.00 0.00 N ATOM 1411 CA GLN A 94 -3.740 -3.741 10.213 1.00 0.00 C ATOM 1412 C GLN A 94 -3.040 -4.754 9.321 1.00 0.00 C ATOM 1413 O GLN A 94 -3.462 -4.987 8.190 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.253 -3.978 10.173 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.711 -5.212 10.936 1.00 0.00 C ATOM 1416 CD GLN A 94 -5.598 -5.032 12.438 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -6.527 -4.549 13.082 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -4.478 -5.441 13.014 1.00 0.00 N ATOM 0 H GLN A 94 -3.966 -2.079 8.967 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.388 -3.862 11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.758 -3.103 10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.568 -4.070 9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.746 -5.435 10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.113 -6.070 10.629 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.728 -5.837 12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.365 -5.360 14.025 1.00 0.00 H new ATOM 1427 N VAL A 95 -1.962 -5.336 9.821 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.257 -6.383 9.095 1.00 0.00 C ATOM 1429 C VAL A 95 -1.462 -7.714 9.799 1.00 0.00 C ATOM 1430 O VAL A 95 -0.838 -7.990 10.827 1.00 0.00 O ATOM 1431 CB VAL A 95 0.252 -6.086 8.962 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.978 -7.232 8.268 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.461 -4.789 8.202 1.00 0.00 C ATOM 0 H VAL A 95 -1.555 -5.102 10.727 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.670 -6.424 8.087 1.00 0.00 H new ATOM 0 HB VAL A 95 0.670 -5.983 9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.039 -6.995 8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.853 -8.146 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.562 -7.375 7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.528 -4.587 8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.024 -4.876 7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.019 -3.971 8.739 1.00 0.00 H new ATOM 1443 N ASP A 96 -2.359 -8.520 9.253 1.00 0.00 N ATOM 1444 CA ASP A 96 -2.757 -9.765 9.889 1.00 0.00 C ATOM 1445 C ASP A 96 -2.065 -10.951 9.231 1.00 0.00 C ATOM 1446 O ASP A 96 -1.839 -10.961 8.019 1.00 0.00 O ATOM 1447 CB ASP A 96 -4.274 -9.931 9.813 1.00 0.00 C ATOM 1448 CG ASP A 96 -4.791 -10.977 10.775 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -4.831 -12.166 10.405 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -5.165 -10.614 11.906 1.00 0.00 O ATOM 0 H ASP A 96 -2.827 -8.332 8.366 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.456 -9.730 10.936 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.752 -8.976 10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.556 -10.206 8.797 1.00 0.00 H new ATOM 1455 N ASP A 97 -1.737 -11.951 10.036 1.00 0.00 N ATOM 1456 CA ASP A 97 -1.017 -13.128 9.557 1.00 0.00 C ATOM 1457 C ASP A 97 -1.939 -14.058 8.774 1.00 0.00 C ATOM 1458 O ASP A 97 -1.478 -14.959 8.073 1.00 0.00 O ATOM 1459 CB ASP A 97 -0.396 -13.895 10.729 1.00 0.00 C ATOM 1460 CG ASP A 97 0.620 -13.074 11.501 1.00 0.00 C ATOM 1461 OD1 ASP A 97 0.205 -12.287 12.381 1.00 0.00 O ATOM 1462 OD2 ASP A 97 1.833 -13.223 11.247 1.00 0.00 O ATOM 0 H ASP A 97 -1.959 -11.973 11.031 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.225 -12.780 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.187 -14.215 11.407 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.085 -14.797 10.352 1.00 0.00 H new ATOM 1467 N HIS A 98 -3.243 -13.838 8.891 1.00 0.00 N ATOM 1468 CA HIS A 98 -4.221 -14.686 8.219 1.00 0.00 C ATOM 1469 C HIS A 98 -4.604 -14.119 6.857 1.00 0.00 C ATOM 1470 O HIS A 98 -5.551 -14.595 6.227 1.00 0.00 O ATOM 1471 CB HIS A 98 -5.481 -14.862 9.075 1.00 0.00 C ATOM 1472 CG HIS A 98 -5.308 -15.785 10.245 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -6.369 -16.348 10.921 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -4.191 -16.243 10.858 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -5.913 -17.116 11.891 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -4.597 -17.068 11.877 1.00 0.00 N ATOM 0 H HIS A 98 -3.647 -13.082 9.443 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.754 -15.660 8.073 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.797 -13.885 9.441 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.285 -15.241 8.444 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -3.171 -16.004 10.594 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.517 -17.688 12.580 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -3.979 -17.564 12.520 1.00 0.00 H new ATOM 1485 N LEU A 99 -3.888 -13.094 6.407 1.00 0.00 N ATOM 1486 CA LEU A 99 -4.108 -12.557 5.071 1.00 0.00 C ATOM 1487 C LEU A 99 -2.848 -12.638 4.212 1.00 0.00 C ATOM 1488 O LEU A 99 -1.920 -11.844 4.364 1.00 0.00 O ATOM 1489 CB LEU A 99 -4.610 -11.108 5.119 1.00 0.00 C ATOM 1490 CG LEU A 99 -6.092 -10.936 5.467 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -6.322 -11.018 6.969 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -6.613 -9.621 4.909 1.00 0.00 C ATOM 0 H LEU A 99 -3.158 -12.623 6.942 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.878 -13.177 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.017 -10.560 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.426 -10.646 4.149 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.646 -11.754 5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.384 -10.892 7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.991 -11.990 7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.756 -10.231 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.667 -9.510 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.048 -8.794 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.498 -9.615 3.825 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.826 -13.619 3.323 1.00 0.00 N ATOM 1505 CA GLN A 100 -1.777 -13.730 2.315 1.00 0.00 C ATOM 1506 C GLN A 100 -2.398 -13.676 0.922 1.00 0.00 C ATOM 1507 O GLN A 100 -1.982 -14.380 0.005 1.00 0.00 O ATOM 1508 CB GLN A 100 -0.928 -15.004 2.513 1.00 0.00 C ATOM 1509 CG GLN A 100 -1.702 -16.295 2.797 1.00 0.00 C ATOM 1510 CD GLN A 100 -2.455 -16.854 1.597 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -1.892 -17.587 0.785 1.00 0.00 O ATOM 1512 NE2 GLN A 100 -3.743 -16.567 1.512 1.00 0.00 N ATOM 0 H GLN A 100 -3.529 -14.357 3.278 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.096 -12.886 2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.325 -15.156 1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.237 -14.830 3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.004 -17.051 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.413 -16.108 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.176 -15.955 2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.304 -16.958 0.755 1.00 0.00 H new ATOM 1521 N THR A 101 -3.382 -12.794 0.789 1.00 0.00 N ATOM 1522 CA THR A 101 -4.183 -12.665 -0.424 1.00 0.00 C ATOM 1523 C THR A 101 -3.332 -12.439 -1.677 1.00 0.00 C ATOM 1524 O THR A 101 -2.229 -11.888 -1.607 1.00 0.00 O ATOM 1525 CB THR A 101 -5.176 -11.498 -0.277 1.00 0.00 C ATOM 1526 OG1 THR A 101 -4.464 -10.296 0.051 1.00 0.00 O ATOM 1527 CG2 THR A 101 -6.204 -11.797 0.803 1.00 0.00 C ATOM 0 H THR A 101 -3.649 -12.142 1.527 1.00 0.00 H new ATOM 0 HA THR A 101 -4.714 -13.609 -0.549 1.00 0.00 H new ATOM 0 HB THR A 101 -5.699 -11.366 -1.224 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.474 -10.165 1.022 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.895 -10.959 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.758 -12.698 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.697 -11.949 1.756 1.00 0.00 H new ATOM 1535 N PRO A 102 -3.842 -12.879 -2.843 1.00 0.00 N ATOM 1536 CA PRO A 102 -3.155 -12.711 -4.126 1.00 0.00 C ATOM 1537 C PRO A 102 -2.919 -11.244 -4.472 1.00 0.00 C ATOM 1538 O PRO A 102 -3.862 -10.454 -4.579 1.00 0.00 O ATOM 1539 CB PRO A 102 -4.107 -13.356 -5.141 1.00 0.00 C ATOM 1540 CG PRO A 102 -5.427 -13.429 -4.457 1.00 0.00 C ATOM 1541 CD PRO A 102 -5.126 -13.585 -2.996 1.00 0.00 C ATOM 0 HA PRO A 102 -2.163 -13.163 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.170 -12.762 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.759 -14.348 -5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.012 -12.528 -4.641 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.012 -14.271 -4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.905 -13.144 -2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.046 -14.634 -2.710 1.00 0.00 H new ATOM 1549 N TYR A 103 -1.656 -10.891 -4.637 1.00 0.00 N ATOM 1550 CA TYR A 103 -1.269 -9.524 -4.952 1.00 0.00 C ATOM 1551 C TYR A 103 -1.358 -9.260 -6.450 1.00 0.00 C ATOM 1552 O TYR A 103 -1.107 -10.152 -7.262 1.00 0.00 O ATOM 1553 CB TYR A 103 0.153 -9.246 -4.444 1.00 0.00 C ATOM 1554 CG TYR A 103 1.138 -10.365 -4.717 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.821 -10.447 -5.925 1.00 0.00 C ATOM 1556 CD2 TYR A 103 1.379 -11.346 -3.761 1.00 0.00 C ATOM 1557 CE1 TYR A 103 2.715 -11.474 -6.172 1.00 0.00 C ATOM 1558 CE2 TYR A 103 2.271 -12.374 -3.999 1.00 0.00 C ATOM 1559 CZ TYR A 103 2.933 -12.435 -5.206 1.00 0.00 C ATOM 1560 OH TYR A 103 3.820 -13.462 -5.446 1.00 0.00 O ATOM 0 H TYR A 103 -0.872 -11.539 -4.557 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.963 -8.850 -4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.521 -8.331 -4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.114 -9.064 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.651 -9.697 -6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.859 -11.303 -2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.239 -11.523 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.448 -13.125 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 103 3.858 -14.051 -4.664 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.733 -8.041 -6.811 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.816 -7.649 -8.216 1.00 0.00 C ATOM 1572 C HIS A 104 -0.717 -6.647 -8.543 1.00 0.00 C ATOM 1573 O HIS A 104 -0.234 -5.943 -7.659 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.197 -7.069 -8.551 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.255 -8.114 -8.766 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -5.481 -7.841 -9.336 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.265 -9.440 -8.488 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -6.192 -8.950 -9.402 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.479 -9.939 -8.895 1.00 0.00 N ATOM 0 H HIS A 104 -1.985 -7.304 -6.152 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.675 -8.539 -8.829 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.510 -6.409 -7.742 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.116 -6.457 -9.449 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -5.790 -6.923 -9.657 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -3.465 -10.002 -8.030 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -7.191 -9.035 -9.804 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.336 -6.584 -9.811 1.00 0.00 N ATOM 1589 CA GLU A 105 0.804 -5.773 -10.236 1.00 0.00 C ATOM 1590 C GLU A 105 0.525 -4.274 -10.081 1.00 0.00 C ATOM 1591 O GLU A 105 1.407 -3.507 -9.695 1.00 0.00 O ATOM 1592 CB GLU A 105 1.198 -6.105 -11.692 1.00 0.00 C ATOM 1593 CG GLU A 105 0.205 -5.649 -12.761 1.00 0.00 C ATOM 1594 CD GLU A 105 -1.189 -6.216 -12.579 1.00 0.00 C ATOM 1595 OE1 GLU A 105 -1.431 -7.364 -12.997 1.00 0.00 O ATOM 1596 OE2 GLU A 105 -2.044 -5.515 -11.997 1.00 0.00 O ATOM 0 H GLU A 105 -0.800 -7.086 -10.569 1.00 0.00 H new ATOM 0 HA GLU A 105 1.641 -6.020 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.166 -5.649 -11.901 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.328 -7.184 -11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.149 -4.560 -12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.581 -5.940 -13.742 1.00 0.00 H new ATOM 1603 N THR A 106 -0.702 -3.863 -10.369 1.00 0.00 N ATOM 1604 CA THR A 106 -1.067 -2.457 -10.322 1.00 0.00 C ATOM 1605 C THR A 106 -2.213 -2.212 -9.350 1.00 0.00 C ATOM 1606 O THR A 106 -3.026 -3.105 -9.095 1.00 0.00 O ATOM 1607 CB THR A 106 -1.479 -1.948 -11.720 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.441 -2.841 -12.302 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.273 -1.820 -12.636 1.00 0.00 C ATOM 0 H THR A 106 -1.463 -4.487 -10.638 1.00 0.00 H new ATOM 0 HA THR A 106 -0.188 -1.911 -9.979 1.00 0.00 H new ATOM 0 HB THR A 106 -1.924 -0.960 -11.603 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.108 -3.761 -12.247 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.595 -1.460 -13.613 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.438 -1.115 -12.205 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.204 -2.794 -12.748 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.282 -0.999 -8.813 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.394 -0.612 -7.957 1.00 0.00 C ATOM 1619 C VAL A 107 -4.665 -0.518 -8.792 1.00 0.00 C ATOM 1620 O VAL A 107 -5.771 -0.726 -8.298 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.132 0.735 -7.242 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.954 1.871 -8.242 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.250 1.048 -6.257 1.00 0.00 C ATOM 0 H VAL A 107 -1.583 -0.270 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.507 -1.374 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.201 0.640 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.772 2.802 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.106 1.654 -8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.857 1.970 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.046 1.999 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.198 1.112 -6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.307 0.258 -5.509 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.480 -0.234 -10.074 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.582 -0.135 -11.015 1.00 0.00 C ATOM 1635 C TYR A 108 -6.300 -1.477 -11.120 1.00 0.00 C ATOM 1636 O TYR A 108 -7.498 -1.582 -10.849 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.056 0.302 -12.390 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.318 1.629 -12.369 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -2.968 1.696 -12.041 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -4.973 2.816 -12.668 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -2.299 2.906 -12.012 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -4.312 4.029 -12.637 1.00 0.00 C ATOM 1643 CZ TYR A 108 -2.976 4.069 -12.310 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.321 5.278 -12.270 1.00 0.00 O ATOM 0 H TYR A 108 -3.563 -0.066 -10.488 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.292 0.612 -10.659 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.388 -0.469 -12.775 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -5.894 0.374 -13.083 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.433 0.788 -11.805 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -6.020 2.791 -12.930 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.250 2.940 -11.757 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.841 4.941 -12.868 1.00 0.00 H new ATOM 0 HH TYR A 108 -2.777 5.876 -11.642 1.00 0.00 H new ATOM 1654 N SER A 109 -5.541 -2.510 -11.460 1.00 0.00 N ATOM 1655 CA SER A 109 -6.094 -3.842 -11.651 1.00 0.00 C ATOM 1656 C SER A 109 -6.373 -4.531 -10.314 1.00 0.00 C ATOM 1657 O SER A 109 -6.883 -5.650 -10.277 1.00 0.00 O ATOM 1658 CB SER A 109 -5.131 -4.680 -12.490 1.00 0.00 C ATOM 1659 OG SER A 109 -4.764 -3.987 -13.672 1.00 0.00 O ATOM 0 H SER A 109 -4.534 -2.449 -11.610 1.00 0.00 H new ATOM 0 HA SER A 109 -7.045 -3.746 -12.175 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.240 -4.912 -11.907 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.599 -5.630 -12.749 1.00 0.00 H new ATOM 0 HG SER A 109 -3.941 -3.480 -13.512 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.027 -3.879 -9.211 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.343 -4.416 -7.897 1.00 0.00 C ATOM 1667 C LEU A 110 -7.632 -3.812 -7.365 1.00 0.00 C ATOM 1668 O LEU A 110 -8.569 -4.533 -7.034 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.214 -4.162 -6.900 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.520 -4.633 -5.479 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.589 -6.151 -5.419 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.489 -4.105 -4.500 1.00 0.00 C ATOM 0 H LEU A 110 -5.533 -2.987 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.468 -5.493 -8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.313 -4.664 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.996 -3.094 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.493 -4.234 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.808 -6.465 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.376 -6.506 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.633 -6.571 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.729 -4.454 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.500 -4.466 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.496 -3.015 -4.517 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.685 -2.486 -7.303 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.838 -1.788 -6.744 1.00 0.00 C ATOM 1686 C LEU A 111 -10.084 -2.093 -7.576 1.00 0.00 C ATOM 1687 O LEU A 111 -11.207 -2.083 -7.069 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.572 -0.278 -6.699 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.445 0.521 -5.728 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.170 0.107 -4.290 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.205 2.011 -5.903 1.00 0.00 C ATOM 0 H LEU A 111 -6.941 -1.871 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.007 -2.136 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.527 -0.120 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.711 0.127 -7.701 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.490 0.306 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.801 0.687 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.389 -0.954 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.122 0.290 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.833 2.565 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.157 2.236 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.452 2.302 -6.924 1.00 0.00 H new ATOM 1703 N ASP A 112 -9.860 -2.406 -8.849 1.00 0.00 N ATOM 1704 CA ASP A 112 -10.941 -2.768 -9.767 1.00 0.00 C ATOM 1705 C ASP A 112 -11.588 -4.094 -9.364 1.00 0.00 C ATOM 1706 O ASP A 112 -12.762 -4.337 -9.640 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.400 -2.860 -11.199 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.441 -3.312 -12.206 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.510 -2.678 -12.296 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.181 -4.294 -12.938 1.00 0.00 O ATOM 0 H ASP A 112 -8.932 -2.417 -9.273 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.704 -1.992 -9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.015 -1.885 -11.498 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.560 -3.554 -11.219 1.00 0.00 H new ATOM 1715 N THR A 113 -10.821 -4.948 -8.695 1.00 0.00 N ATOM 1716 CA THR A 113 -11.323 -6.250 -8.272 1.00 0.00 C ATOM 1717 C THR A 113 -11.928 -6.163 -6.876 1.00 0.00 C ATOM 1718 O THR A 113 -12.466 -7.139 -6.348 1.00 0.00 O ATOM 1719 CB THR A 113 -10.206 -7.320 -8.285 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.214 -7.035 -7.288 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.537 -7.378 -9.646 1.00 0.00 C ATOM 0 H THR A 113 -9.852 -4.763 -8.435 1.00 0.00 H new ATOM 0 HA THR A 113 -12.094 -6.547 -8.983 1.00 0.00 H new ATOM 0 HB THR A 113 -10.669 -8.282 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.864 -6.130 -7.424 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.754 -8.137 -9.635 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.277 -7.632 -10.405 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.098 -6.407 -9.877 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.850 -4.976 -6.289 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.294 -4.768 -4.922 1.00 0.00 C ATOM 1731 C LEU A 114 -13.560 -3.921 -4.884 1.00 0.00 C ATOM 1732 O LEU A 114 -14.432 -4.132 -4.042 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.175 -4.104 -4.122 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.870 -4.900 -4.081 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.728 -4.030 -3.594 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.023 -6.123 -3.190 1.00 0.00 C ATOM 0 H LEU A 114 -11.481 -4.140 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.530 -5.733 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.974 -3.121 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.521 -3.944 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.639 -5.234 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.809 -4.615 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.603 -3.183 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.950 -3.666 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.086 -6.679 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.278 -5.807 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.816 -6.761 -3.581 1.00 0.00 H new ATOM 1748 N SER A 115 -13.663 -2.961 -5.794 1.00 0.00 N ATOM 1749 CA SER A 115 -14.845 -2.117 -5.876 1.00 0.00 C ATOM 1750 C SER A 115 -15.185 -1.793 -7.330 1.00 0.00 C ATOM 1751 O SER A 115 -14.440 -1.084 -8.003 1.00 0.00 O ATOM 1752 CB SER A 115 -14.632 -0.828 -5.076 1.00 0.00 C ATOM 1753 OG SER A 115 -14.342 -1.123 -3.721 1.00 0.00 O ATOM 0 H SER A 115 -12.943 -2.749 -6.484 1.00 0.00 H new ATOM 0 HA SER A 115 -15.685 -2.662 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.814 -0.254 -5.512 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.525 -0.205 -5.135 1.00 0.00 H new ATOM 0 HG SER A 115 -15.099 -0.856 -3.159 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.311 -2.328 -7.834 1.00 0.00 N ATOM 1760 CA PRO A 116 -16.781 -2.075 -9.207 1.00 0.00 C ATOM 1761 C PRO A 116 -16.995 -0.587 -9.504 1.00 0.00 C ATOM 1762 O PRO A 116 -16.990 -0.169 -10.665 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.115 -2.825 -9.274 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.019 -3.867 -8.214 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.203 -3.252 -7.112 1.00 0.00 C ATOM 0 HA PRO A 116 -16.048 -2.403 -9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -18.955 -2.154 -9.095 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.268 -3.273 -10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.008 -4.153 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -17.544 -4.771 -8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.830 -2.727 -6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.642 -4.004 -6.558 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.180 0.215 -8.457 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.359 1.653 -8.620 1.00 0.00 C ATOM 1775 C ALA A 117 -16.055 2.330 -9.043 1.00 0.00 C ATOM 1776 O ALA A 117 -16.037 3.524 -9.348 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.881 2.273 -7.332 1.00 0.00 C ATOM 0 H ALA A 117 -17.210 -0.107 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.093 1.811 -9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -18.009 3.347 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.840 1.823 -7.074 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -17.168 2.094 -6.527 1.00 0.00 H new ATOM 1783 N TYR A 118 -14.974 1.555 -9.062 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.661 2.049 -9.459 1.00 0.00 C ATOM 1785 C TYR A 118 -13.687 2.641 -10.866 1.00 0.00 C ATOM 1786 O TYR A 118 -13.309 3.794 -11.067 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.631 0.916 -9.394 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.269 1.306 -9.920 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.448 2.162 -9.203 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -10.813 0.826 -11.140 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.210 2.530 -9.685 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -9.572 1.187 -11.628 1.00 0.00 C ATOM 1793 CZ TYR A 118 -8.777 2.042 -10.896 1.00 0.00 C ATOM 1794 OH TYR A 118 -7.548 2.412 -11.374 1.00 0.00 O ATOM 0 H TYR A 118 -14.985 0.569 -8.803 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.380 2.840 -8.764 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.531 0.586 -8.360 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.002 0.065 -9.966 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.784 2.547 -8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.438 0.160 -11.717 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.583 3.199 -9.114 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.227 0.802 -12.576 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.329 3.311 -11.052 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.148 1.851 -11.829 1.00 0.00 N ATOM 1805 CA ARG A 119 -14.132 2.259 -13.232 1.00 0.00 C ATOM 1806 C ARG A 119 -15.016 3.473 -13.461 1.00 0.00 C ATOM 1807 O ARG A 119 -14.643 4.399 -14.185 1.00 0.00 O ATOM 1808 CB ARG A 119 -14.578 1.107 -14.129 1.00 0.00 C ATOM 1809 CG ARG A 119 -13.676 -0.107 -14.024 1.00 0.00 C ATOM 1810 CD ARG A 119 -14.095 -1.209 -14.980 1.00 0.00 C ATOM 1811 NE ARG A 119 -13.272 -2.400 -14.805 1.00 0.00 N ATOM 1812 CZ ARG A 119 -12.902 -3.216 -15.786 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -13.346 -3.032 -17.028 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -12.104 -4.234 -15.511 1.00 0.00 N ATOM 0 H ARG A 119 -14.538 0.923 -11.665 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.108 2.531 -13.489 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -15.596 0.821 -13.865 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -14.601 1.447 -15.164 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -12.648 0.186 -14.236 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.695 -0.486 -13.002 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.143 -1.460 -14.813 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -14.012 -0.854 -16.007 1.00 0.00 H new ATOM 0 HE ARG A 119 -12.957 -2.623 -13.861 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -13.977 -2.258 -17.235 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.055 -3.665 -17.773 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.781 -4.385 -14.555 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.812 -4.868 -16.254 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.180 3.470 -12.830 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.102 4.591 -12.930 1.00 0.00 C ATOM 1830 C GLU A 120 -16.463 5.851 -12.362 1.00 0.00 C ATOM 1831 O GLU A 120 -16.476 6.908 -12.991 1.00 0.00 O ATOM 1832 CB GLU A 120 -18.403 4.281 -12.190 1.00 0.00 C ATOM 1833 CG GLU A 120 -19.132 3.066 -12.737 1.00 0.00 C ATOM 1834 CD GLU A 120 -19.415 3.185 -14.219 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -20.364 3.908 -14.593 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -18.692 2.558 -15.023 1.00 0.00 O ATOM 0 H GLU A 120 -16.509 2.703 -12.243 1.00 0.00 H new ATOM 0 HA GLU A 120 -17.332 4.757 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -18.183 4.119 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.061 5.148 -12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -18.534 2.173 -12.554 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -20.071 2.936 -12.199 1.00 0.00 H new ATOM 1843 N ALA A 121 -15.885 5.728 -11.176 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.223 6.851 -10.531 1.00 0.00 C ATOM 1845 C ALA A 121 -14.059 7.358 -11.375 1.00 0.00 C ATOM 1846 O ALA A 121 -13.919 8.558 -11.590 1.00 0.00 O ATOM 1847 CB ALA A 121 -14.737 6.456 -9.147 1.00 0.00 C ATOM 0 H ALA A 121 -15.861 4.860 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 121 -15.948 7.659 -10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -14.244 7.307 -8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.586 6.147 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.032 5.629 -9.231 1.00 0.00 H new ATOM 1853 N PHE A 122 -13.243 6.432 -11.865 1.00 0.00 N ATOM 1854 CA PHE A 122 -12.078 6.773 -12.673 1.00 0.00 C ATOM 1855 C PHE A 122 -12.492 7.530 -13.934 1.00 0.00 C ATOM 1856 O PHE A 122 -11.947 8.590 -14.238 1.00 0.00 O ATOM 1857 CB PHE A 122 -11.308 5.501 -13.045 1.00 0.00 C ATOM 1858 CG PHE A 122 -10.011 5.757 -13.763 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -8.869 6.098 -13.056 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -9.931 5.652 -15.144 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -7.673 6.332 -13.710 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -8.739 5.883 -15.802 1.00 0.00 C ATOM 1863 CZ PHE A 122 -7.610 6.224 -15.085 1.00 0.00 C ATOM 0 H PHE A 122 -13.369 5.431 -11.715 1.00 0.00 H new ATOM 0 HA PHE A 122 -11.429 7.423 -12.086 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.103 4.935 -12.137 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -11.942 4.876 -13.674 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -8.913 6.182 -11.980 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -10.811 5.387 -15.711 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.791 6.598 -13.147 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -8.690 5.797 -16.877 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.678 6.406 -15.599 1.00 0.00 H new