USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 76 THR OG1 : rot 32:sc= 0.636 USER MOD Set 1.2: A 92 TYR OH : rot -161:sc= 1.06 USER MOD Single : A 29 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -128:sc= -0.395 (180deg=-1.29) USER MOD Single : A 37 THR OG1 : rot 80:sc= 1.04 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 49 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.3!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0304) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 61 SER OG : rot -53:sc= 0.0258 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc=-0.000114 (180deg=-0.0358) USER MOD Single : A 70 ASN : amide:sc= -0.0286 X(o=-0.029,f=-0.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0277 K(o=-0.028,f=-1.6!) USER MOD Single : A 83 THR OG1 : rot -38:sc= 0.305 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 86 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.085) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 17:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.861 9.112 5.872 1.00 15.54 N ATOM 437 CA GLU A 28 -5.646 9.404 4.447 1.00 22.41 C ATOM 438 C GLU A 28 -4.362 10.228 4.282 1.00 32.31 C ATOM 439 O GLU A 28 -3.581 9.943 3.403 1.00 72.24 O ATOM 440 CB GLU A 28 -6.848 10.163 3.808 1.00 73.43 C ATOM 441 CG GLU A 28 -6.635 10.567 2.322 1.00 64.33 C ATOM 442 CD GLU A 28 -7.736 11.451 1.712 1.00 14.35 C ATOM 443 OE1 GLU A 28 -8.315 12.310 2.420 1.00 60.15 O ATOM 444 OE2 GLU A 28 -8.014 11.309 0.503 1.00 33.41 O ATOM 0 HA GLU A 28 -5.553 8.451 3.926 1.00 22.41 H new ATOM 0 HB2 GLU A 28 -7.737 9.536 3.878 1.00 73.43 H new ATOM 0 HB3 GLU A 28 -7.046 11.062 4.392 1.00 73.43 H new ATOM 0 HG2 GLU A 28 -5.684 11.093 2.239 1.00 64.33 H new ATOM 0 HG3 GLU A 28 -6.550 9.659 1.725 1.00 64.33 H new ATOM 451 N ASN A 29 -4.129 11.210 5.192 1.00 43.45 N ATOM 452 CA ASN A 29 -2.941 12.103 5.110 1.00 73.11 C ATOM 453 C ASN A 29 -1.660 11.259 5.186 1.00 1.31 C ATOM 454 O ASN A 29 -0.794 11.342 4.300 1.00 13.52 O ATOM 455 CB ASN A 29 -2.943 13.202 6.227 1.00 50.12 C ATOM 456 CG ASN A 29 -1.950 14.351 6.001 1.00 71.50 C ATOM 457 OD1 ASN A 29 -0.928 14.213 5.333 1.00 23.45 O ATOM 458 ND2 ASN A 29 -2.240 15.504 6.583 1.00 0.23 N ATOM 0 H ASN A 29 -4.742 11.403 5.984 1.00 43.45 H new ATOM 0 HA ASN A 29 -2.981 12.627 4.155 1.00 73.11 H new ATOM 0 HB2 ASN A 29 -3.947 13.618 6.306 1.00 50.12 H new ATOM 0 HB3 ASN A 29 -2.718 12.729 7.183 1.00 50.12 H new ATOM 0 HD21 ASN A 29 -1.610 16.299 6.481 1.00 0.23 H new ATOM 0 HD22 ASN A 29 -3.094 15.597 7.133 1.00 0.23 H new ATOM 465 N GLU A 30 -1.604 10.365 6.190 1.00 70.52 N ATOM 466 CA GLU A 30 -0.382 9.590 6.486 1.00 31.44 C ATOM 467 C GLU A 30 -0.160 8.482 5.439 1.00 70.05 C ATOM 468 O GLU A 30 0.985 8.212 5.056 1.00 34.21 O ATOM 469 CB GLU A 30 -0.414 9.003 7.918 1.00 72.32 C ATOM 470 CG GLU A 30 -0.209 10.029 9.053 1.00 44.51 C ATOM 471 CD GLU A 30 -0.003 9.347 10.411 1.00 44.13 C ATOM 472 OE1 GLU A 30 1.074 8.757 10.620 1.00 11.41 O ATOM 473 OE2 GLU A 30 -0.907 9.389 11.268 1.00 43.21 O ATOM 0 H GLU A 30 -2.388 10.161 6.810 1.00 70.52 H new ATOM 0 HA GLU A 30 0.462 10.278 6.432 1.00 31.44 H new ATOM 0 HB2 GLU A 30 -1.372 8.505 8.068 1.00 72.32 H new ATOM 0 HB3 GLU A 30 0.358 8.238 7.997 1.00 72.32 H new ATOM 0 HG2 GLU A 30 0.655 10.654 8.826 1.00 44.51 H new ATOM 0 HG3 GLU A 30 -1.075 10.689 9.106 1.00 44.51 H new ATOM 480 N LEU A 31 -1.265 7.892 4.938 1.00 43.14 N ATOM 481 CA LEU A 31 -1.182 6.767 3.943 1.00 53.21 C ATOM 482 C LEU A 31 -0.805 7.334 2.560 1.00 34.12 C ATOM 483 O LEU A 31 0.141 6.858 1.941 1.00 51.34 O ATOM 484 CB LEU A 31 -2.505 5.910 3.830 1.00 53.12 C ATOM 485 CG LEU A 31 -2.514 4.685 2.780 1.00 61.55 C ATOM 486 CD1 LEU A 31 -2.037 3.318 3.369 1.00 44.14 C ATOM 487 CD2 LEU A 31 -3.905 4.486 2.094 1.00 32.14 C ATOM 0 H LEU A 31 -2.216 8.159 5.191 1.00 43.14 H new ATOM 0 HA LEU A 31 -0.413 6.086 4.308 1.00 53.21 H new ATOM 0 HB2 LEU A 31 -2.730 5.508 4.818 1.00 53.12 H new ATOM 0 HB3 LEU A 31 -3.320 6.584 3.567 1.00 53.12 H new ATOM 0 HG LEU A 31 -1.781 4.992 2.034 1.00 61.55 H new ATOM 0 HD11 LEU A 31 -2.076 2.554 2.593 1.00 44.14 H new ATOM 0 HD12 LEU A 31 -1.014 3.415 3.731 1.00 44.14 H new ATOM 0 HD13 LEU A 31 -2.688 3.030 4.194 1.00 44.14 H new ATOM 0 HD21 LEU A 31 -3.851 3.649 1.398 1.00 32.14 H new ATOM 0 HD22 LEU A 31 -4.659 4.279 2.853 1.00 32.14 H new ATOM 0 HD23 LEU A 31 -4.176 5.392 1.551 1.00 32.14 H new ATOM 499 N ARG A 32 -1.557 8.366 2.113 1.00 15.11 N ATOM 500 CA ARG A 32 -1.312 9.109 0.852 1.00 51.01 C ATOM 501 C ARG A 32 0.141 9.630 0.769 1.00 12.35 C ATOM 502 O ARG A 32 0.785 9.503 -0.282 1.00 53.12 O ATOM 503 CB ARG A 32 -2.357 10.278 0.729 1.00 52.04 C ATOM 504 CG ARG A 32 -2.118 11.330 -0.373 1.00 50.33 C ATOM 505 CD ARG A 32 -2.174 10.730 -1.775 1.00 73.31 C ATOM 506 NE ARG A 32 -3.500 10.157 -2.057 1.00 32.45 N ATOM 507 CZ ARG A 32 -3.802 9.391 -3.100 1.00 24.24 C ATOM 508 NH1 ARG A 32 -2.876 9.059 -3.990 1.00 54.23 N ATOM 509 NH2 ARG A 32 -5.055 8.977 -3.270 1.00 74.54 N ATOM 0 H ARG A 32 -2.367 8.713 2.627 1.00 15.11 H new ATOM 0 HA ARG A 32 -1.442 8.429 0.010 1.00 51.01 H new ATOM 0 HB2 ARG A 32 -3.340 9.836 0.565 1.00 52.04 H new ATOM 0 HB3 ARG A 32 -2.397 10.797 1.687 1.00 52.04 H new ATOM 0 HG2 ARG A 32 -2.867 12.117 -0.288 1.00 50.33 H new ATOM 0 HG3 ARG A 32 -1.145 11.798 -0.220 1.00 50.33 H new ATOM 0 HD2 ARG A 32 -1.943 11.499 -2.512 1.00 73.31 H new ATOM 0 HD3 ARG A 32 -1.412 9.956 -1.873 1.00 73.31 H new ATOM 0 HE ARG A 32 -4.249 10.365 -1.397 1.00 32.45 H new ATOM 0 HH11 ARG A 32 -1.919 9.392 -3.878 1.00 54.23 H new ATOM 0 HH12 ARG A 32 -3.121 8.470 -4.786 1.00 54.23 H new ATOM 0 HH21 ARG A 32 -5.777 9.248 -2.602 1.00 74.54 H new ATOM 0 HH22 ARG A 32 -5.294 8.389 -4.068 1.00 74.54 H new ATOM 523 N SER A 33 0.663 10.161 1.896 1.00 53.43 N ATOM 524 CA SER A 33 2.000 10.770 1.936 1.00 71.12 C ATOM 525 C SER A 33 3.102 9.704 1.784 1.00 4.35 C ATOM 526 O SER A 33 3.996 9.851 0.944 1.00 50.10 O ATOM 527 CB SER A 33 2.176 11.551 3.250 1.00 13.41 C ATOM 528 OG SER A 33 3.459 12.150 3.354 1.00 54.41 O ATOM 0 H SER A 33 0.173 10.177 2.790 1.00 53.43 H new ATOM 0 HA SER A 33 2.092 11.460 1.097 1.00 71.12 H new ATOM 0 HB2 SER A 33 1.410 12.324 3.316 1.00 13.41 H new ATOM 0 HB3 SER A 33 2.023 10.878 4.093 1.00 13.41 H new ATOM 0 HG SER A 33 3.525 12.636 4.202 1.00 54.41 H new ATOM 534 N MET A 34 2.998 8.608 2.573 1.00 43.20 N ATOM 535 CA MET A 34 4.016 7.525 2.567 1.00 65.15 C ATOM 536 C MET A 34 3.923 6.682 1.283 1.00 65.14 C ATOM 537 O MET A 34 4.936 6.162 0.810 1.00 22.22 O ATOM 538 CB MET A 34 3.909 6.595 3.823 1.00 54.45 C ATOM 539 CG MET A 34 4.226 7.246 5.185 1.00 41.42 C ATOM 540 SD MET A 34 4.187 6.058 6.548 1.00 41.34 S ATOM 541 CE MET A 34 2.496 5.462 6.505 1.00 11.41 C ATOM 0 H MET A 34 2.225 8.449 3.219 1.00 43.20 H new ATOM 0 HA MET A 34 4.988 8.018 2.601 1.00 65.15 H new ATOM 0 HB2 MET A 34 2.897 6.191 3.864 1.00 54.45 H new ATOM 0 HB3 MET A 34 4.584 5.751 3.682 1.00 54.45 H new ATOM 0 HG2 MET A 34 5.211 7.711 5.141 1.00 41.42 H new ATOM 0 HG3 MET A 34 3.506 8.041 5.380 1.00 41.42 H new ATOM 0 HE1 MET A 34 2.053 5.553 7.497 1.00 11.41 H new ATOM 0 HE2 MET A 34 1.920 6.054 5.794 1.00 11.41 H new ATOM 0 HE3 MET A 34 2.487 4.416 6.198 1.00 11.41 H new ATOM 551 N LEU A 35 2.708 6.587 0.707 1.00 4.32 N ATOM 552 CA LEU A 35 2.465 5.784 -0.522 1.00 0.21 C ATOM 553 C LEU A 35 3.110 6.521 -1.708 1.00 12.35 C ATOM 554 O LEU A 35 3.785 5.901 -2.525 1.00 44.12 O ATOM 555 CB LEU A 35 0.924 5.502 -0.752 1.00 71.31 C ATOM 556 CG LEU A 35 0.499 4.283 -1.674 1.00 55.35 C ATOM 557 CD1 LEU A 35 -0.989 3.907 -1.458 1.00 2.05 C ATOM 558 CD2 LEU A 35 0.760 4.564 -3.168 1.00 21.34 C ATOM 0 H LEU A 35 1.876 7.054 1.068 1.00 4.32 H new ATOM 0 HA LEU A 35 2.922 4.800 -0.416 1.00 0.21 H new ATOM 0 HB2 LEU A 35 0.467 5.351 0.226 1.00 71.31 H new ATOM 0 HB3 LEU A 35 0.483 6.405 -1.174 1.00 71.31 H new ATOM 0 HG LEU A 35 1.122 3.439 -1.378 1.00 55.35 H new ATOM 0 HD11 LEU A 35 -1.250 3.069 -2.104 1.00 2.05 H new ATOM 0 HD12 LEU A 35 -1.146 3.625 -0.417 1.00 2.05 H new ATOM 0 HD13 LEU A 35 -1.619 4.762 -1.701 1.00 2.05 H new ATOM 0 HD21 LEU A 35 0.453 3.701 -3.759 1.00 21.34 H new ATOM 0 HD22 LEU A 35 0.189 5.439 -3.479 1.00 21.34 H new ATOM 0 HD23 LEU A 35 1.823 4.751 -3.323 1.00 21.34 H new ATOM 570 N ALA A 36 2.927 7.862 -1.744 1.00 13.41 N ATOM 571 CA ALA A 36 3.559 8.736 -2.745 1.00 61.43 C ATOM 572 C ALA A 36 5.093 8.632 -2.699 1.00 33.13 C ATOM 573 O ALA A 36 5.728 8.391 -3.726 1.00 21.23 O ATOM 574 CB ALA A 36 3.119 10.183 -2.531 1.00 21.03 C ATOM 0 H ALA A 36 2.337 8.362 -1.079 1.00 13.41 H new ATOM 0 HA ALA A 36 3.235 8.405 -3.731 1.00 61.43 H new ATOM 0 HB1 ALA A 36 3.592 10.821 -3.277 1.00 21.03 H new ATOM 0 HB2 ALA A 36 2.036 10.252 -2.629 1.00 21.03 H new ATOM 0 HB3 ALA A 36 3.415 10.509 -1.534 1.00 21.03 H new ATOM 580 N THR A 37 5.659 8.784 -1.484 1.00 15.21 N ATOM 581 CA THR A 37 7.112 8.679 -1.252 1.00 35.21 C ATOM 582 C THR A 37 7.646 7.301 -1.706 1.00 4.01 C ATOM 583 O THR A 37 8.720 7.210 -2.296 1.00 73.32 O ATOM 584 CB THR A 37 7.446 8.926 0.259 1.00 12.21 C ATOM 585 OG1 THR A 37 6.746 10.093 0.716 1.00 43.33 O ATOM 586 CG2 THR A 37 8.952 9.132 0.521 1.00 74.00 C ATOM 0 H THR A 37 5.123 8.982 -0.639 1.00 15.21 H new ATOM 0 HA THR A 37 7.606 9.447 -1.847 1.00 35.21 H new ATOM 0 HB THR A 37 7.134 8.032 0.799 1.00 12.21 H new ATOM 0 HG1 THR A 37 5.815 9.860 0.912 1.00 43.33 H new ATOM 0 HG21 THR A 37 9.117 9.298 1.586 1.00 74.00 H new ATOM 0 HG22 THR A 37 9.501 8.246 0.203 1.00 74.00 H new ATOM 0 HG23 THR A 37 9.304 9.998 -0.040 1.00 74.00 H new ATOM 594 N ALA A 38 6.833 6.244 -1.476 1.00 52.34 N ATOM 595 CA ALA A 38 7.170 4.862 -1.875 1.00 5.21 C ATOM 596 C ALA A 38 7.100 4.668 -3.409 1.00 45.43 C ATOM 597 O ALA A 38 7.835 3.848 -3.951 1.00 30.43 O ATOM 598 CB ALA A 38 6.279 3.854 -1.138 1.00 21.52 C ATOM 0 H ALA A 38 5.929 6.327 -1.010 1.00 52.34 H new ATOM 0 HA ALA A 38 8.204 4.677 -1.584 1.00 5.21 H new ATOM 0 HB1 ALA A 38 6.543 2.842 -1.446 1.00 21.52 H new ATOM 0 HB2 ALA A 38 6.426 3.956 -0.063 1.00 21.52 H new ATOM 0 HB3 ALA A 38 5.234 4.046 -1.381 1.00 21.52 H new ATOM 604 N LEU A 39 6.235 5.447 -4.108 1.00 72.02 N ATOM 605 CA LEU A 39 6.192 5.448 -5.602 1.00 3.44 C ATOM 606 C LEU A 39 7.450 6.158 -6.156 1.00 54.25 C ATOM 607 O LEU A 39 7.945 5.823 -7.234 1.00 10.20 O ATOM 608 CB LEU A 39 4.902 6.147 -6.168 1.00 3.21 C ATOM 609 CG LEU A 39 3.486 5.633 -5.697 1.00 12.42 C ATOM 610 CD1 LEU A 39 2.350 6.526 -6.244 1.00 32.33 C ATOM 611 CD2 LEU A 39 3.228 4.148 -6.058 1.00 34.01 C ATOM 0 H LEU A 39 5.563 6.078 -3.671 1.00 72.02 H new ATOM 0 HA LEU A 39 6.167 4.408 -5.926 1.00 3.44 H new ATOM 0 HB2 LEU A 39 4.966 7.207 -5.921 1.00 3.21 H new ATOM 0 HB3 LEU A 39 4.936 6.070 -7.255 1.00 3.21 H new ATOM 0 HG LEU A 39 3.492 5.700 -4.609 1.00 12.42 H new ATOM 0 HD11 LEU A 39 1.389 6.143 -5.900 1.00 32.33 H new ATOM 0 HD12 LEU A 39 2.484 7.546 -5.884 1.00 32.33 H new ATOM 0 HD13 LEU A 39 2.375 6.519 -7.334 1.00 32.33 H new ATOM 0 HD21 LEU A 39 2.238 3.855 -5.708 1.00 34.01 H new ATOM 0 HD22 LEU A 39 3.282 4.022 -7.139 1.00 34.01 H new ATOM 0 HD23 LEU A 39 3.982 3.521 -5.581 1.00 34.01 H new ATOM 623 N GLU A 40 7.952 7.141 -5.383 1.00 43.12 N ATOM 624 CA GLU A 40 9.192 7.885 -5.694 1.00 72.01 C ATOM 625 C GLU A 40 10.436 7.066 -5.318 1.00 22.41 C ATOM 626 O GLU A 40 11.523 7.342 -5.811 1.00 62.03 O ATOM 627 CB GLU A 40 9.184 9.249 -4.958 1.00 30.33 C ATOM 628 CG GLU A 40 8.052 10.183 -5.427 1.00 23.10 C ATOM 629 CD GLU A 40 7.850 11.405 -4.528 1.00 71.34 C ATOM 630 OE1 GLU A 40 8.523 12.426 -4.723 1.00 31.21 O ATOM 631 OE2 GLU A 40 7.002 11.356 -3.626 1.00 33.31 O ATOM 0 H GLU A 40 7.506 7.445 -4.518 1.00 43.12 H new ATOM 0 HA GLU A 40 9.231 8.065 -6.768 1.00 72.01 H new ATOM 0 HB2 GLU A 40 9.084 9.076 -3.886 1.00 30.33 H new ATOM 0 HB3 GLU A 40 10.143 9.744 -5.113 1.00 30.33 H new ATOM 0 HG2 GLU A 40 8.268 10.521 -6.441 1.00 23.10 H new ATOM 0 HG3 GLU A 40 7.121 9.618 -5.471 1.00 23.10 H new ATOM 638 N LYS A 41 10.258 6.081 -4.421 1.00 11.22 N ATOM 639 CA LYS A 41 11.289 5.066 -4.119 1.00 35.55 C ATOM 640 C LYS A 41 11.283 3.965 -5.200 1.00 30.52 C ATOM 641 O LYS A 41 10.263 3.754 -5.864 1.00 42.42 O ATOM 642 CB LYS A 41 11.030 4.432 -2.726 1.00 22.33 C ATOM 643 CG LYS A 41 11.225 5.375 -1.517 1.00 43.00 C ATOM 644 CD LYS A 41 12.713 5.882 -1.390 1.00 2.15 C ATOM 645 CE LYS A 41 13.123 6.649 -0.092 1.00 72.11 C ATOM 646 NZ LYS A 41 14.558 7.040 -0.169 1.00 22.52 N ATOM 0 H LYS A 41 9.398 5.964 -3.885 1.00 11.22 H new ATOM 0 HA LYS A 41 12.263 5.554 -4.111 1.00 35.55 H new ATOM 0 HB2 LYS A 41 10.010 4.049 -2.705 1.00 22.33 H new ATOM 0 HB3 LYS A 41 11.694 3.576 -2.607 1.00 22.33 H new ATOM 0 HG2 LYS A 41 10.558 6.232 -1.616 1.00 43.00 H new ATOM 0 HG3 LYS A 41 10.941 4.854 -0.603 1.00 43.00 H new ATOM 0 HD2 LYS A 41 13.369 5.017 -1.487 1.00 2.15 H new ATOM 0 HD3 LYS A 41 12.917 6.533 -2.240 1.00 2.15 H new ATOM 0 HE2 LYS A 41 12.501 7.536 0.029 1.00 72.11 H new ATOM 0 HE3 LYS A 41 12.954 6.020 0.782 1.00 72.11 H new ATOM 0 HZ1 LYS A 41 14.826 7.550 0.697 1.00 22.52 H new ATOM 0 HZ2 LYS A 41 15.146 6.187 -0.264 1.00 22.52 H new ATOM 0 HZ3 LYS A 41 14.706 7.656 -0.994 1.00 22.52 H new ATOM 660 N ASP A 42 12.428 3.271 -5.361 1.00 72.14 N ATOM 661 CA ASP A 42 12.557 2.118 -6.276 1.00 35.33 C ATOM 662 C ASP A 42 11.735 0.931 -5.732 1.00 44.25 C ATOM 663 O ASP A 42 12.214 0.187 -4.867 1.00 3.05 O ATOM 664 CB ASP A 42 14.052 1.692 -6.449 1.00 32.42 C ATOM 665 CG ASP A 42 14.950 2.773 -7.080 1.00 23.11 C ATOM 666 OD1 ASP A 42 15.105 2.806 -8.314 1.00 31.13 O ATOM 667 OD2 ASP A 42 15.497 3.600 -6.337 1.00 13.31 O ATOM 0 H ASP A 42 13.289 3.494 -4.861 1.00 72.14 H new ATOM 0 HA ASP A 42 12.176 2.415 -7.253 1.00 35.33 H new ATOM 0 HB2 ASP A 42 14.457 1.424 -5.473 1.00 32.42 H new ATOM 0 HB3 ASP A 42 14.093 0.796 -7.068 1.00 32.42 H new ATOM 672 N ILE A 43 10.479 0.797 -6.189 1.00 32.25 N ATOM 673 CA ILE A 43 9.623 -0.355 -5.845 1.00 33.42 C ATOM 674 C ILE A 43 9.544 -1.324 -7.043 1.00 22.23 C ATOM 675 O ILE A 43 9.414 -0.890 -8.191 1.00 70.31 O ATOM 676 CB ILE A 43 8.185 0.090 -5.358 1.00 74.31 C ATOM 677 CG1 ILE A 43 7.486 1.050 -6.370 1.00 64.33 C ATOM 678 CG2 ILE A 43 8.263 0.729 -3.949 1.00 73.43 C ATOM 679 CD1 ILE A 43 6.113 1.535 -5.933 1.00 33.32 C ATOM 0 H ILE A 43 10.030 1.477 -6.802 1.00 32.25 H new ATOM 0 HA ILE A 43 10.079 -0.876 -5.003 1.00 33.42 H new ATOM 0 HB ILE A 43 7.570 -0.808 -5.302 1.00 74.31 H new ATOM 0 HG12 ILE A 43 8.128 1.915 -6.533 1.00 64.33 H new ATOM 0 HG13 ILE A 43 7.389 0.540 -7.328 1.00 64.33 H new ATOM 0 HG21 ILE A 43 7.265 1.029 -3.630 1.00 73.43 H new ATOM 0 HG22 ILE A 43 8.667 0.004 -3.243 1.00 73.43 H new ATOM 0 HG23 ILE A 43 8.912 1.604 -3.982 1.00 73.43 H new ATOM 0 HD11 ILE A 43 5.701 2.196 -6.695 1.00 33.32 H new ATOM 0 HD12 ILE A 43 5.451 0.680 -5.799 1.00 33.32 H new ATOM 0 HD13 ILE A 43 6.201 2.077 -4.991 1.00 33.32 H new ATOM 691 N SER A 44 9.645 -2.636 -6.749 1.00 75.03 N ATOM 692 CA SER A 44 9.675 -3.723 -7.769 1.00 61.54 C ATOM 693 C SER A 44 8.326 -3.752 -8.534 1.00 31.41 C ATOM 694 O SER A 44 7.316 -3.379 -7.950 1.00 4.15 O ATOM 695 CB SER A 44 9.990 -5.084 -7.068 1.00 42.32 C ATOM 696 OG SER A 44 11.139 -4.975 -6.243 1.00 51.42 O ATOM 0 H SER A 44 9.709 -2.982 -5.792 1.00 75.03 H new ATOM 0 HA SER A 44 10.462 -3.540 -8.500 1.00 61.54 H new ATOM 0 HB2 SER A 44 9.135 -5.395 -6.468 1.00 42.32 H new ATOM 0 HB3 SER A 44 10.149 -5.857 -7.820 1.00 42.32 H new ATOM 0 HG SER A 44 11.316 -5.838 -5.813 1.00 51.42 H new ATOM 702 N GLN A 45 8.336 -4.152 -9.843 1.00 14.52 N ATOM 703 CA GLN A 45 7.138 -4.164 -10.749 1.00 73.45 C ATOM 704 C GLN A 45 5.816 -4.628 -10.060 1.00 21.24 C ATOM 705 O GLN A 45 4.745 -4.033 -10.263 1.00 24.42 O ATOM 706 CB GLN A 45 7.420 -5.054 -12.010 1.00 21.34 C ATOM 707 CG GLN A 45 6.298 -5.042 -13.085 1.00 54.43 C ATOM 708 CD GLN A 45 6.184 -3.707 -13.825 1.00 2.22 C ATOM 709 OE1 GLN A 45 7.178 -3.018 -14.049 1.00 41.55 O ATOM 710 NE2 GLN A 45 4.981 -3.329 -14.206 1.00 21.45 N ATOM 0 H GLN A 45 9.184 -4.479 -10.305 1.00 14.52 H new ATOM 0 HA GLN A 45 6.980 -3.126 -11.041 1.00 73.45 H new ATOM 0 HB2 GLN A 45 8.349 -4.720 -12.472 1.00 21.34 H new ATOM 0 HB3 GLN A 45 7.578 -6.082 -11.683 1.00 21.34 H new ATOM 0 HG2 GLN A 45 6.488 -5.835 -13.808 1.00 54.43 H new ATOM 0 HG3 GLN A 45 5.344 -5.268 -12.608 1.00 54.43 H new ATOM 0 HE21 GLN A 45 4.174 -3.920 -14.007 1.00 21.45 H new ATOM 0 HE22 GLN A 45 4.857 -2.445 -14.700 1.00 21.45 H new ATOM 719 N GLU A 46 5.943 -5.645 -9.193 1.00 51.22 N ATOM 720 CA GLU A 46 4.800 -6.339 -8.540 1.00 21.44 C ATOM 721 C GLU A 46 4.305 -5.588 -7.282 1.00 45.54 C ATOM 722 O GLU A 46 3.127 -5.619 -6.932 1.00 2.12 O ATOM 723 CB GLU A 46 5.164 -7.812 -8.184 1.00 54.33 C ATOM 724 CG GLU A 46 6.204 -8.026 -7.042 1.00 55.22 C ATOM 725 CD GLU A 46 6.212 -9.467 -6.533 1.00 33.44 C ATOM 726 OE1 GLU A 46 6.744 -10.344 -7.242 1.00 4.54 O ATOM 727 OE2 GLU A 46 5.672 -9.737 -5.454 1.00 14.51 O ATOM 0 H GLU A 46 6.850 -6.020 -8.916 1.00 51.22 H new ATOM 0 HA GLU A 46 3.984 -6.347 -9.262 1.00 21.44 H new ATOM 0 HB2 GLU A 46 4.246 -8.331 -7.908 1.00 54.33 H new ATOM 0 HB3 GLU A 46 5.545 -8.294 -9.084 1.00 54.33 H new ATOM 0 HG2 GLU A 46 7.198 -7.765 -7.404 1.00 55.22 H new ATOM 0 HG3 GLU A 46 5.978 -7.352 -6.216 1.00 55.22 H new ATOM 734 N GLU A 47 5.221 -4.883 -6.649 1.00 45.12 N ATOM 735 CA GLU A 47 4.982 -4.102 -5.421 1.00 15.12 C ATOM 736 C GLU A 47 4.391 -2.738 -5.824 1.00 41.15 C ATOM 737 O GLU A 47 3.498 -2.190 -5.157 1.00 62.21 O ATOM 738 CB GLU A 47 6.351 -3.974 -4.679 1.00 44.42 C ATOM 739 CG GLU A 47 6.386 -3.110 -3.408 1.00 52.31 C ATOM 740 CD GLU A 47 7.795 -3.044 -2.788 1.00 15.22 C ATOM 741 OE1 GLU A 47 7.974 -3.332 -1.574 1.00 71.54 O ATOM 742 OE2 GLU A 47 8.744 -2.722 -3.531 1.00 0.01 O ATOM 0 H GLU A 47 6.186 -4.827 -6.973 1.00 45.12 H new ATOM 0 HA GLU A 47 4.270 -4.578 -4.747 1.00 15.12 H new ATOM 0 HB2 GLU A 47 6.686 -4.977 -4.414 1.00 44.42 H new ATOM 0 HB3 GLU A 47 7.079 -3.569 -5.382 1.00 44.42 H new ATOM 0 HG2 GLU A 47 6.048 -2.102 -3.647 1.00 52.31 H new ATOM 0 HG3 GLU A 47 5.687 -3.515 -2.676 1.00 52.31 H new ATOM 749 N ARG A 48 4.880 -2.252 -6.979 1.00 45.24 N ATOM 750 CA ARG A 48 4.329 -1.117 -7.713 1.00 22.34 C ATOM 751 C ARG A 48 2.894 -1.423 -8.155 1.00 14.20 C ATOM 752 O ARG A 48 2.018 -0.578 -8.032 1.00 15.40 O ATOM 753 CB ARG A 48 5.216 -0.810 -8.937 1.00 34.04 C ATOM 754 CG ARG A 48 4.789 0.427 -9.739 1.00 63.51 C ATOM 755 CD ARG A 48 5.648 0.662 -10.987 1.00 75.03 C ATOM 756 NE ARG A 48 5.292 1.913 -11.671 1.00 41.43 N ATOM 757 CZ ARG A 48 6.148 2.766 -12.253 1.00 53.00 C ATOM 758 NH1 ARG A 48 7.460 2.531 -12.261 1.00 23.42 N ATOM 759 NH2 ARG A 48 5.676 3.873 -12.812 1.00 53.30 N ATOM 0 H ARG A 48 5.697 -2.658 -7.436 1.00 45.24 H new ATOM 0 HA ARG A 48 4.311 -0.243 -7.062 1.00 22.34 H new ATOM 0 HB2 ARG A 48 6.243 -0.672 -8.600 1.00 34.04 H new ATOM 0 HB3 ARG A 48 5.212 -1.676 -9.599 1.00 34.04 H new ATOM 0 HG2 ARG A 48 3.747 0.316 -10.038 1.00 63.51 H new ATOM 0 HG3 ARG A 48 4.844 1.306 -9.097 1.00 63.51 H new ATOM 0 HD2 ARG A 48 6.700 0.690 -10.703 1.00 75.03 H new ATOM 0 HD3 ARG A 48 5.526 -0.175 -11.675 1.00 75.03 H new ATOM 0 HE ARG A 48 4.302 2.155 -11.706 1.00 41.43 H new ATOM 0 HH11 ARG A 48 7.830 1.690 -11.819 1.00 23.42 H new ATOM 0 HH12 ARG A 48 8.094 3.193 -12.709 1.00 23.42 H new ATOM 0 HH21 ARG A 48 4.675 4.066 -12.795 1.00 53.30 H new ATOM 0 HH22 ARG A 48 6.315 4.531 -13.258 1.00 53.30 H new ATOM 773 N ASN A 49 2.680 -2.672 -8.632 1.00 30.24 N ATOM 774 CA ASN A 49 1.355 -3.179 -9.046 1.00 33.55 C ATOM 775 C ASN A 49 0.340 -3.038 -7.882 1.00 31.45 C ATOM 776 O ASN A 49 -0.760 -2.515 -8.072 1.00 10.15 O ATOM 777 CB ASN A 49 1.496 -4.654 -9.530 1.00 42.54 C ATOM 778 CG ASN A 49 0.284 -5.222 -10.285 1.00 4.51 C ATOM 779 OD1 ASN A 49 -0.868 -4.901 -10.001 1.00 21.11 O ATOM 780 ND2 ASN A 49 0.544 -6.072 -11.269 1.00 34.52 N ATOM 0 H ASN A 49 3.427 -3.358 -8.740 1.00 30.24 H new ATOM 0 HA ASN A 49 0.971 -2.588 -9.877 1.00 33.55 H new ATOM 0 HB2 ASN A 49 2.370 -4.723 -10.177 1.00 42.54 H new ATOM 0 HB3 ASN A 49 1.690 -5.285 -8.663 1.00 42.54 H new ATOM 0 HD21 ASN A 49 -0.221 -6.475 -11.810 1.00 34.52 H new ATOM 0 HD22 ASN A 49 1.509 -6.322 -11.485 1.00 34.52 H new ATOM 787 N ALA A 50 0.786 -3.440 -6.674 1.00 65.20 N ATOM 788 CA ALA A 50 -0.010 -3.375 -5.428 1.00 70.04 C ATOM 789 C ALA A 50 -0.424 -1.933 -5.061 1.00 71.12 C ATOM 790 O ALA A 50 -1.621 -1.652 -4.888 1.00 42.41 O ATOM 791 CB ALA A 50 0.788 -4.019 -4.287 1.00 13.11 C ATOM 0 H ALA A 50 1.720 -3.824 -6.533 1.00 65.20 H new ATOM 0 HA ALA A 50 -0.936 -3.926 -5.592 1.00 70.04 H new ATOM 0 HB1 ALA A 50 0.207 -3.974 -3.366 1.00 13.11 H new ATOM 0 HB2 ALA A 50 0.999 -5.060 -4.533 1.00 13.11 H new ATOM 0 HB3 ALA A 50 1.726 -3.481 -4.150 1.00 13.11 H new ATOM 797 N LEU A 51 0.569 -1.018 -4.970 1.00 44.21 N ATOM 798 CA LEU A 51 0.314 0.387 -4.556 1.00 44.34 C ATOM 799 C LEU A 51 -0.441 1.187 -5.658 1.00 53.23 C ATOM 800 O LEU A 51 -1.146 2.166 -5.350 1.00 55.11 O ATOM 801 CB LEU A 51 1.637 1.114 -4.148 1.00 3.43 C ATOM 802 CG LEU A 51 2.562 0.452 -3.054 1.00 12.32 C ATOM 803 CD1 LEU A 51 3.777 1.361 -2.743 1.00 42.50 C ATOM 804 CD2 LEU A 51 1.819 0.108 -1.734 1.00 54.24 C ATOM 0 H LEU A 51 1.547 -1.222 -5.175 1.00 44.21 H new ATOM 0 HA LEU A 51 -0.331 0.346 -3.678 1.00 44.34 H new ATOM 0 HB2 LEU A 51 2.234 1.244 -5.051 1.00 3.43 H new ATOM 0 HB3 LEU A 51 1.371 2.111 -3.796 1.00 3.43 H new ATOM 0 HG LEU A 51 2.899 -0.492 -3.484 1.00 12.32 H new ATOM 0 HD11 LEU A 51 4.402 0.887 -1.987 1.00 42.50 H new ATOM 0 HD12 LEU A 51 4.359 1.513 -3.652 1.00 42.50 H new ATOM 0 HD13 LEU A 51 3.426 2.324 -2.372 1.00 42.50 H new ATOM 0 HD21 LEU A 51 2.518 -0.343 -1.030 1.00 54.24 H new ATOM 0 HD22 LEU A 51 1.406 1.019 -1.301 1.00 54.24 H new ATOM 0 HD23 LEU A 51 1.011 -0.593 -1.943 1.00 54.24 H new ATOM 816 N ASN A 52 -0.303 0.749 -6.929 1.00 32.43 N ATOM 817 CA ASN A 52 -1.056 1.318 -8.073 1.00 23.22 C ATOM 818 C ASN A 52 -2.546 0.966 -7.976 1.00 3.01 C ATOM 819 O ASN A 52 -3.403 1.835 -8.167 1.00 10.33 O ATOM 820 CB ASN A 52 -0.488 0.841 -9.443 1.00 15.32 C ATOM 821 CG ASN A 52 0.722 1.643 -9.922 1.00 20.45 C ATOM 822 OD1 ASN A 52 1.579 2.048 -9.130 1.00 43.25 O ATOM 823 ND2 ASN A 52 0.761 1.925 -11.221 1.00 44.15 N ATOM 0 H ASN A 52 0.331 -0.006 -7.192 1.00 32.43 H new ATOM 0 HA ASN A 52 -0.939 2.400 -8.020 1.00 23.22 H new ATOM 0 HB2 ASN A 52 -0.208 -0.209 -9.364 1.00 15.32 H new ATOM 0 HB3 ASN A 52 -1.275 0.905 -10.194 1.00 15.32 H new ATOM 0 HD21 ASN A 52 1.519 2.495 -11.597 1.00 44.15 H new ATOM 0 HD22 ASN A 52 0.033 1.571 -11.842 1.00 44.15 H new ATOM 830 N ILE A 53 -2.837 -0.317 -7.650 1.00 15.41 N ATOM 831 CA ILE A 53 -4.220 -0.813 -7.470 1.00 3.04 C ATOM 832 C ILE A 53 -4.881 -0.082 -6.280 1.00 13.32 C ATOM 833 O ILE A 53 -6.064 0.279 -6.340 1.00 22.42 O ATOM 834 CB ILE A 53 -4.265 -2.386 -7.272 1.00 2.24 C ATOM 835 CG1 ILE A 53 -3.817 -3.129 -8.577 1.00 40.02 C ATOM 836 CG2 ILE A 53 -5.665 -2.878 -6.810 1.00 24.41 C ATOM 837 CD1 ILE A 53 -3.776 -4.647 -8.462 1.00 24.22 C ATOM 0 H ILE A 53 -2.124 -1.031 -7.506 1.00 15.41 H new ATOM 0 HA ILE A 53 -4.782 -0.597 -8.379 1.00 3.04 H new ATOM 0 HB ILE A 53 -3.559 -2.628 -6.477 1.00 2.24 H new ATOM 0 HG12 ILE A 53 -4.496 -2.858 -9.385 1.00 40.02 H new ATOM 0 HG13 ILE A 53 -2.827 -2.773 -8.860 1.00 40.02 H new ATOM 0 HG21 ILE A 53 -5.648 -3.961 -6.688 1.00 24.41 H new ATOM 0 HG22 ILE A 53 -5.920 -2.409 -5.859 1.00 24.41 H new ATOM 0 HG23 ILE A 53 -6.410 -2.609 -7.559 1.00 24.41 H new ATOM 0 HD11 ILE A 53 -3.456 -5.075 -9.412 1.00 24.22 H new ATOM 0 HD12 ILE A 53 -3.074 -4.934 -7.679 1.00 24.22 H new ATOM 0 HD13 ILE A 53 -4.769 -5.020 -8.212 1.00 24.22 H new ATOM 849 N ALA A 54 -4.073 0.166 -5.227 1.00 10.31 N ATOM 850 CA ALA A 54 -4.487 0.925 -4.040 1.00 2.25 C ATOM 851 C ALA A 54 -4.959 2.348 -4.408 1.00 64.13 C ATOM 852 O ALA A 54 -6.117 2.706 -4.160 1.00 40.02 O ATOM 853 CB ALA A 54 -3.329 0.983 -3.036 1.00 70.42 C ATOM 0 H ALA A 54 -3.108 -0.160 -5.182 1.00 10.31 H new ATOM 0 HA ALA A 54 -5.334 0.412 -3.586 1.00 2.25 H new ATOM 0 HB1 ALA A 54 -3.638 1.547 -2.156 1.00 70.42 H new ATOM 0 HB2 ALA A 54 -3.053 -0.029 -2.740 1.00 70.42 H new ATOM 0 HB3 ALA A 54 -2.471 1.473 -3.498 1.00 70.42 H new ATOM 859 N GLU A 55 -4.065 3.114 -5.072 1.00 12.02 N ATOM 860 CA GLU A 55 -4.281 4.550 -5.345 1.00 42.23 C ATOM 861 C GLU A 55 -5.414 4.786 -6.363 1.00 61.44 C ATOM 862 O GLU A 55 -6.253 5.684 -6.159 1.00 35.25 O ATOM 863 CB GLU A 55 -2.971 5.213 -5.826 1.00 23.44 C ATOM 864 CG GLU A 55 -3.133 6.685 -6.257 1.00 21.41 C ATOM 865 CD GLU A 55 -1.851 7.282 -6.831 1.00 22.10 C ATOM 866 OE1 GLU A 55 -1.032 7.818 -6.058 1.00 72.13 O ATOM 867 OE2 GLU A 55 -1.667 7.218 -8.070 1.00 3.31 O ATOM 0 H GLU A 55 -3.180 2.756 -5.431 1.00 12.02 H new ATOM 0 HA GLU A 55 -4.589 5.014 -4.408 1.00 42.23 H new ATOM 0 HB2 GLU A 55 -2.233 5.159 -5.025 1.00 23.44 H new ATOM 0 HB3 GLU A 55 -2.573 4.641 -6.665 1.00 23.44 H new ATOM 0 HG2 GLU A 55 -3.925 6.755 -7.002 1.00 21.41 H new ATOM 0 HG3 GLU A 55 -3.450 7.277 -5.398 1.00 21.41 H new ATOM 874 N LYS A 56 -5.441 3.971 -7.441 1.00 23.44 N ATOM 875 CA LYS A 56 -6.476 4.085 -8.498 1.00 44.22 C ATOM 876 C LYS A 56 -7.881 3.911 -7.891 1.00 61.23 C ATOM 877 O LYS A 56 -8.861 4.503 -8.348 1.00 25.41 O ATOM 878 CB LYS A 56 -6.208 3.103 -9.700 1.00 11.31 C ATOM 879 CG LYS A 56 -6.408 1.581 -9.445 1.00 24.24 C ATOM 880 CD LYS A 56 -7.875 1.084 -9.586 1.00 21.23 C ATOM 881 CE LYS A 56 -8.025 -0.398 -9.218 1.00 14.22 C ATOM 882 NZ LYS A 56 -7.227 -1.287 -10.105 1.00 14.35 N ATOM 0 H LYS A 56 -4.761 3.229 -7.604 1.00 23.44 H new ATOM 0 HA LYS A 56 -6.421 5.088 -8.921 1.00 44.22 H new ATOM 0 HB2 LYS A 56 -6.860 3.394 -10.524 1.00 11.31 H new ATOM 0 HB3 LYS A 56 -5.182 3.255 -10.036 1.00 11.31 H new ATOM 0 HG2 LYS A 56 -5.782 1.025 -10.143 1.00 24.24 H new ATOM 0 HG3 LYS A 56 -6.054 1.345 -8.441 1.00 24.24 H new ATOM 0 HD2 LYS A 56 -8.522 1.683 -8.945 1.00 21.23 H new ATOM 0 HD3 LYS A 56 -8.211 1.237 -10.611 1.00 21.23 H new ATOM 0 HE2 LYS A 56 -7.713 -0.546 -8.184 1.00 14.22 H new ATOM 0 HE3 LYS A 56 -9.076 -0.679 -9.277 1.00 14.22 H new ATOM 0 HZ1 LYS A 56 -7.414 -2.280 -9.860 1.00 14.35 H new ATOM 0 HZ2 LYS A 56 -7.494 -1.119 -11.096 1.00 14.35 H new ATOM 0 HZ3 LYS A 56 -6.215 -1.084 -9.980 1.00 14.35 H new ATOM 896 N ALA A 57 -7.934 3.093 -6.825 1.00 1.21 N ATOM 897 CA ALA A 57 -9.155 2.793 -6.099 1.00 23.53 C ATOM 898 C ALA A 57 -9.483 3.860 -5.048 1.00 12.31 C ATOM 899 O ALA A 57 -10.653 4.036 -4.722 1.00 14.41 O ATOM 900 CB ALA A 57 -9.036 1.425 -5.473 1.00 34.01 C ATOM 0 H ALA A 57 -7.112 2.621 -6.448 1.00 1.21 H new ATOM 0 HA ALA A 57 -9.985 2.798 -6.805 1.00 23.53 H new ATOM 0 HB1 ALA A 57 -9.950 1.194 -4.926 1.00 34.01 H new ATOM 0 HB2 ALA A 57 -8.882 0.680 -6.253 1.00 34.01 H new ATOM 0 HB3 ALA A 57 -8.190 1.411 -4.786 1.00 34.01 H new ATOM 906 N LEU A 58 -8.454 4.554 -4.486 1.00 65.13 N ATOM 907 CA LEU A 58 -8.692 5.739 -3.607 1.00 44.42 C ATOM 908 C LEU A 58 -9.401 6.849 -4.430 1.00 41.15 C ATOM 909 O LEU A 58 -10.255 7.571 -3.910 1.00 11.12 O ATOM 910 CB LEU A 58 -7.367 6.326 -2.971 1.00 30.14 C ATOM 911 CG LEU A 58 -6.318 5.341 -2.228 1.00 24.31 C ATOM 912 CD1 LEU A 58 -5.099 6.082 -1.573 1.00 4.44 C ATOM 913 CD2 LEU A 58 -6.935 4.356 -1.177 1.00 3.42 C ATOM 0 H LEU A 58 -7.470 4.321 -4.621 1.00 65.13 H new ATOM 0 HA LEU A 58 -9.316 5.401 -2.780 1.00 44.42 H new ATOM 0 HB2 LEU A 58 -6.824 6.836 -3.767 1.00 30.14 H new ATOM 0 HB3 LEU A 58 -7.664 7.087 -2.249 1.00 30.14 H new ATOM 0 HG LEU A 58 -5.965 4.740 -3.066 1.00 24.31 H new ATOM 0 HD11 LEU A 58 -4.444 5.353 -1.096 1.00 4.44 H new ATOM 0 HD12 LEU A 58 -4.545 6.620 -2.342 1.00 4.44 H new ATOM 0 HD13 LEU A 58 -5.461 6.788 -0.826 1.00 4.44 H new ATOM 0 HD21 LEU A 58 -6.144 3.745 -0.742 1.00 3.42 H new ATOM 0 HD22 LEU A 58 -7.427 4.926 -0.389 1.00 3.42 H new ATOM 0 HD23 LEU A 58 -7.664 3.710 -1.667 1.00 3.42 H new ATOM 925 N ASP A 59 -9.035 6.937 -5.725 1.00 13.43 N ATOM 926 CA ASP A 59 -9.661 7.865 -6.696 1.00 3.21 C ATOM 927 C ASP A 59 -11.104 7.428 -7.024 1.00 73.32 C ATOM 928 O ASP A 59 -12.020 8.249 -7.032 1.00 45.42 O ATOM 929 CB ASP A 59 -8.809 7.919 -7.990 1.00 51.22 C ATOM 930 CG ASP A 59 -9.285 8.964 -9.017 1.00 44.11 C ATOM 931 OD1 ASP A 59 -10.101 8.640 -9.892 1.00 64.31 O ATOM 932 OD2 ASP A 59 -8.833 10.115 -8.964 1.00 62.10 O ATOM 0 H ASP A 59 -8.294 6.365 -6.131 1.00 13.43 H new ATOM 0 HA ASP A 59 -9.703 8.859 -6.251 1.00 3.21 H new ATOM 0 HB2 ASP A 59 -7.775 8.135 -7.722 1.00 51.22 H new ATOM 0 HB3 ASP A 59 -8.818 6.935 -8.459 1.00 51.22 H new ATOM 937 N ASN A 60 -11.288 6.107 -7.281 1.00 73.14 N ATOM 938 CA ASN A 60 -12.624 5.518 -7.583 1.00 5.44 C ATOM 939 C ASN A 60 -13.476 5.369 -6.299 1.00 71.53 C ATOM 940 O ASN A 60 -14.673 5.095 -6.394 1.00 3.32 O ATOM 941 CB ASN A 60 -12.504 4.137 -8.310 1.00 21.50 C ATOM 942 CG ASN A 60 -11.822 4.194 -9.684 1.00 32.41 C ATOM 943 OD1 ASN A 60 -11.857 5.214 -10.380 1.00 2.02 O ATOM 944 ND2 ASN A 60 -11.213 3.084 -10.099 1.00 31.34 N ATOM 0 H ASN A 60 -10.528 5.427 -7.286 1.00 73.14 H new ATOM 0 HA ASN A 60 -13.126 6.212 -8.258 1.00 5.44 H new ATOM 0 HB2 ASN A 60 -11.947 3.452 -7.671 1.00 21.50 H new ATOM 0 HB3 ASN A 60 -13.503 3.718 -8.432 1.00 21.50 H new ATOM 0 HD21 ASN A 60 -10.760 3.062 -11.013 1.00 31.34 H new ATOM 0 HD22 ASN A 60 -11.200 2.256 -9.503 1.00 31.34 H new ATOM 951 N SER A 61 -12.834 5.567 -5.121 1.00 62.43 N ATOM 952 CA SER A 61 -13.470 5.534 -3.791 1.00 34.44 C ATOM 953 C SER A 61 -14.091 4.162 -3.471 1.00 2.03 C ATOM 954 O SER A 61 -15.214 4.065 -2.967 1.00 15.41 O ATOM 955 CB SER A 61 -14.494 6.689 -3.626 1.00 50.41 C ATOM 956 OG SER A 61 -14.799 6.921 -2.260 1.00 60.43 O ATOM 0 H SER A 61 -11.833 5.759 -5.074 1.00 62.43 H new ATOM 0 HA SER A 61 -12.680 5.690 -3.056 1.00 34.44 H new ATOM 0 HB2 SER A 61 -14.092 7.600 -4.070 1.00 50.41 H new ATOM 0 HB3 SER A 61 -15.408 6.447 -4.168 1.00 50.41 H new ATOM 0 HG SER A 61 -15.085 6.082 -1.842 1.00 60.43 H new ATOM 962 N GLU A 62 -13.301 3.099 -3.685 1.00 21.24 N ATOM 963 CA GLU A 62 -13.708 1.693 -3.428 1.00 72.41 C ATOM 964 C GLU A 62 -13.450 1.294 -1.946 1.00 24.35 C ATOM 965 O GLU A 62 -13.006 0.180 -1.655 1.00 63.23 O ATOM 966 CB GLU A 62 -12.955 0.783 -4.432 1.00 32.35 C ATOM 967 CG GLU A 62 -13.314 1.077 -5.903 1.00 4.03 C ATOM 968 CD GLU A 62 -12.478 0.275 -6.914 1.00 25.31 C ATOM 969 OE1 GLU A 62 -12.716 -0.939 -7.058 1.00 1.53 O ATOM 970 OE2 GLU A 62 -11.599 0.854 -7.594 1.00 32.25 O ATOM 0 H GLU A 62 -12.350 3.183 -4.045 1.00 21.24 H new ATOM 0 HA GLU A 62 -14.781 1.574 -3.581 1.00 72.41 H new ATOM 0 HB2 GLU A 62 -11.881 0.911 -4.294 1.00 32.35 H new ATOM 0 HB3 GLU A 62 -13.183 -0.259 -4.210 1.00 32.35 H new ATOM 0 HG2 GLU A 62 -14.370 0.856 -6.061 1.00 4.03 H new ATOM 0 HG3 GLU A 62 -13.178 2.141 -6.095 1.00 4.03 H new ATOM 977 N TYR A 63 -13.721 2.261 -1.048 1.00 11.20 N ATOM 978 CA TYR A 63 -13.785 2.122 0.432 1.00 41.05 C ATOM 979 C TYR A 63 -12.402 1.908 1.073 1.00 10.20 C ATOM 980 O TYR A 63 -11.578 1.157 0.565 1.00 0.31 O ATOM 981 CB TYR A 63 -14.767 1.012 0.898 1.00 31.53 C ATOM 982 CG TYR A 63 -16.225 1.194 0.441 1.00 71.44 C ATOM 983 CD1 TYR A 63 -17.073 2.119 1.059 1.00 41.15 C ATOM 984 CD2 TYR A 63 -16.757 0.419 -0.594 1.00 1.02 C ATOM 985 CE1 TYR A 63 -18.395 2.246 0.667 1.00 52.53 C ATOM 986 CE2 TYR A 63 -18.069 0.550 -0.988 1.00 60.10 C ATOM 987 CZ TYR A 63 -18.880 1.462 -0.364 1.00 25.14 C ATOM 988 OH TYR A 63 -20.196 1.578 -0.749 1.00 2.40 O ATOM 0 H TYR A 63 -13.913 3.217 -1.346 1.00 11.20 H new ATOM 0 HA TYR A 63 -14.174 3.078 0.782 1.00 41.05 H new ATOM 0 HB2 TYR A 63 -14.405 0.051 0.531 1.00 31.53 H new ATOM 0 HB3 TYR A 63 -14.747 0.965 1.987 1.00 31.53 H new ATOM 0 HD1 TYR A 63 -16.691 2.743 1.853 1.00 41.15 H new ATOM 0 HD2 TYR A 63 -16.124 -0.298 -1.095 1.00 1.02 H new ATOM 0 HE1 TYR A 63 -19.043 2.953 1.163 1.00 52.53 H new ATOM 0 HE2 TYR A 63 -18.459 -0.064 -1.787 1.00 60.10 H new ATOM 0 HH TYR A 63 -20.377 0.959 -1.487 1.00 2.40 H new ATOM 998 N LEU A 64 -12.217 2.478 2.270 1.00 63.22 N ATOM 999 CA LEU A 64 -10.886 2.442 2.954 1.00 65.22 C ATOM 1000 C LEU A 64 -10.645 1.033 3.528 1.00 34.12 C ATOM 1001 O LEU A 64 -9.603 0.453 3.233 1.00 75.43 O ATOM 1002 CB LEU A 64 -10.654 3.547 4.076 1.00 23.34 C ATOM 1003 CG LEU A 64 -9.871 4.869 3.739 1.00 74.33 C ATOM 1004 CD1 LEU A 64 -8.369 4.627 3.456 1.00 54.44 C ATOM 1005 CD2 LEU A 64 -10.499 5.709 2.630 1.00 3.14 C ATOM 0 H LEU A 64 -12.947 2.965 2.790 1.00 63.22 H new ATOM 0 HA LEU A 64 -10.156 2.686 2.182 1.00 65.22 H new ATOM 0 HB2 LEU A 64 -11.636 3.840 4.448 1.00 23.34 H new ATOM 0 HB3 LEU A 64 -10.131 3.064 4.901 1.00 23.34 H new ATOM 0 HG LEU A 64 -9.952 5.456 4.654 1.00 74.33 H new ATOM 0 HD11 LEU A 64 -7.884 5.577 3.230 1.00 54.44 H new ATOM 0 HD12 LEU A 64 -7.901 4.180 4.333 1.00 54.44 H new ATOM 0 HD13 LEU A 64 -8.263 3.954 2.605 1.00 54.44 H new ATOM 0 HD21 LEU A 64 -9.895 6.601 2.463 1.00 3.14 H new ATOM 0 HD22 LEU A 64 -10.544 5.124 1.711 1.00 3.14 H new ATOM 0 HD23 LEU A 64 -11.507 6.003 2.923 1.00 3.14 H new ATOM 1017 N PRO A 65 -11.603 0.436 4.334 1.00 41.24 N ATOM 1018 CA PRO A 65 -11.432 -0.936 4.880 1.00 15.43 C ATOM 1019 C PRO A 65 -11.305 -2.009 3.769 1.00 14.22 C ATOM 1020 O PRO A 65 -10.642 -3.033 3.968 1.00 55.45 O ATOM 1021 CB PRO A 65 -12.714 -1.136 5.735 1.00 55.33 C ATOM 1022 CG PRO A 65 -13.709 -0.184 5.162 1.00 53.34 C ATOM 1023 CD PRO A 65 -12.905 1.023 4.787 1.00 24.42 C ATOM 0 HA PRO A 65 -10.511 -1.045 5.453 1.00 15.43 H new ATOM 0 HB2 PRO A 65 -13.072 -2.164 5.677 1.00 55.33 H new ATOM 0 HB3 PRO A 65 -12.524 -0.924 6.787 1.00 55.33 H new ATOM 0 HG2 PRO A 65 -14.212 -0.611 4.294 1.00 53.34 H new ATOM 0 HG3 PRO A 65 -14.483 0.065 5.888 1.00 53.34 H new ATOM 0 HD2 PRO A 65 -13.386 1.597 3.995 1.00 24.42 H new ATOM 0 HD3 PRO A 65 -12.771 1.697 5.633 1.00 24.42 H new ATOM 1031 N LYS A 66 -11.930 -1.746 2.596 1.00 43.34 N ATOM 1032 CA LYS A 66 -11.910 -2.678 1.450 1.00 45.22 C ATOM 1033 C LYS A 66 -10.529 -2.674 0.778 1.00 0.20 C ATOM 1034 O LYS A 66 -10.000 -3.732 0.425 1.00 5.44 O ATOM 1035 CB LYS A 66 -13.031 -2.321 0.425 1.00 22.24 C ATOM 1036 CG LYS A 66 -13.033 -3.202 -0.853 1.00 31.01 C ATOM 1037 CD LYS A 66 -14.129 -2.814 -1.868 1.00 61.04 C ATOM 1038 CE LYS A 66 -15.552 -2.991 -1.318 1.00 34.31 C ATOM 1039 NZ LYS A 66 -15.850 -4.396 -0.918 1.00 4.54 N ATOM 0 H LYS A 66 -12.456 -0.890 2.421 1.00 43.34 H new ATOM 0 HA LYS A 66 -12.105 -3.684 1.822 1.00 45.22 H new ATOM 0 HB2 LYS A 66 -13.999 -2.413 0.917 1.00 22.24 H new ATOM 0 HB3 LYS A 66 -12.920 -1.277 0.132 1.00 22.24 H new ATOM 0 HG2 LYS A 66 -12.059 -3.128 -1.337 1.00 31.01 H new ATOM 0 HG3 LYS A 66 -13.168 -4.245 -0.565 1.00 31.01 H new ATOM 0 HD2 LYS A 66 -13.988 -1.775 -2.166 1.00 61.04 H new ATOM 0 HD3 LYS A 66 -14.015 -3.421 -2.766 1.00 61.04 H new ATOM 0 HE2 LYS A 66 -15.687 -2.337 -0.456 1.00 34.31 H new ATOM 0 HE3 LYS A 66 -16.270 -2.674 -2.074 1.00 34.31 H new ATOM 0 HZ1 LYS A 66 -16.852 -4.476 -0.651 1.00 4.54 H new ATOM 0 HZ2 LYS A 66 -15.652 -5.033 -1.716 1.00 4.54 H new ATOM 0 HZ3 LYS A 66 -15.254 -4.660 -0.108 1.00 4.54 H new ATOM 1053 N ILE A 67 -9.943 -1.470 0.623 1.00 24.34 N ATOM 1054 CA ILE A 67 -8.617 -1.292 0.004 1.00 62.31 C ATOM 1055 C ILE A 67 -7.492 -1.658 0.983 1.00 14.22 C ATOM 1056 O ILE A 67 -6.417 -2.053 0.562 1.00 13.21 O ATOM 1057 CB ILE A 67 -8.464 0.178 -0.534 1.00 44.52 C ATOM 1058 CG1 ILE A 67 -9.572 0.427 -1.596 1.00 64.31 C ATOM 1059 CG2 ILE A 67 -7.053 0.456 -1.121 1.00 30.33 C ATOM 1060 CD1 ILE A 67 -9.651 1.840 -2.131 1.00 22.33 C ATOM 0 H ILE A 67 -10.376 -0.596 0.923 1.00 24.34 H new ATOM 0 HA ILE A 67 -8.535 -1.973 -0.843 1.00 62.31 H new ATOM 0 HB ILE A 67 -8.578 0.870 0.301 1.00 44.52 H new ATOM 0 HG12 ILE A 67 -9.409 -0.252 -2.433 1.00 64.31 H new ATOM 0 HG13 ILE A 67 -10.536 0.168 -1.159 1.00 64.31 H new ATOM 0 HG21 ILE A 67 -7.003 1.485 -1.477 1.00 30.33 H new ATOM 0 HG22 ILE A 67 -6.301 0.303 -0.347 1.00 30.33 H new ATOM 0 HG23 ILE A 67 -6.864 -0.225 -1.951 1.00 30.33 H new ATOM 0 HD11 ILE A 67 -10.455 1.907 -2.864 1.00 22.33 H new ATOM 0 HD12 ILE A 67 -9.850 2.529 -1.310 1.00 22.33 H new ATOM 0 HD13 ILE A 67 -8.705 2.103 -2.605 1.00 22.33 H new ATOM 1072 N ILE A 68 -7.766 -1.553 2.297 1.00 62.30 N ATOM 1073 CA ILE A 68 -6.837 -2.009 3.343 1.00 4.33 C ATOM 1074 C ILE A 68 -6.756 -3.548 3.319 1.00 33.42 C ATOM 1075 O ILE A 68 -5.652 -4.121 3.386 1.00 10.20 O ATOM 1076 CB ILE A 68 -7.251 -1.442 4.762 1.00 41.54 C ATOM 1077 CG1 ILE A 68 -6.904 0.085 4.843 1.00 3.50 C ATOM 1078 CG2 ILE A 68 -6.606 -2.225 5.925 1.00 52.01 C ATOM 1079 CD1 ILE A 68 -7.349 0.780 6.113 1.00 32.03 C ATOM 0 H ILE A 68 -8.631 -1.153 2.659 1.00 62.30 H new ATOM 0 HA ILE A 68 -5.840 -1.617 3.141 1.00 4.33 H new ATOM 0 HB ILE A 68 -8.328 -1.572 4.871 1.00 41.54 H new ATOM 0 HG12 ILE A 68 -5.825 0.202 4.743 1.00 3.50 H new ATOM 0 HG13 ILE A 68 -7.360 0.591 3.992 1.00 3.50 H new ATOM 0 HG21 ILE A 68 -6.924 -1.794 6.874 1.00 52.01 H new ATOM 0 HG22 ILE A 68 -6.917 -3.269 5.878 1.00 52.01 H new ATOM 0 HG23 ILE A 68 -5.521 -2.166 5.845 1.00 52.01 H new ATOM 0 HD11 ILE A 68 -7.063 1.831 6.072 1.00 32.03 H new ATOM 0 HD12 ILE A 68 -8.432 0.702 6.210 1.00 32.03 H new ATOM 0 HD13 ILE A 68 -6.873 0.308 6.972 1.00 32.03 H new ATOM 1091 N LEU A 69 -7.937 -4.207 3.154 1.00 53.24 N ATOM 1092 CA LEU A 69 -8.007 -5.667 2.947 1.00 2.41 C ATOM 1093 C LEU A 69 -7.243 -6.015 1.652 1.00 40.31 C ATOM 1094 O LEU A 69 -6.398 -6.892 1.673 1.00 53.24 O ATOM 1095 CB LEU A 69 -9.495 -6.177 2.894 1.00 52.24 C ATOM 1096 CG LEU A 69 -9.763 -7.718 3.318 1.00 22.05 C ATOM 1097 CD1 LEU A 69 -11.238 -8.197 3.138 1.00 62.12 C ATOM 1098 CD2 LEU A 69 -8.813 -8.747 2.638 1.00 23.32 C ATOM 0 H LEU A 69 -8.846 -3.745 3.162 1.00 53.24 H new ATOM 0 HA LEU A 69 -7.542 -6.174 3.792 1.00 2.41 H new ATOM 0 HB2 LEU A 69 -10.095 -5.539 3.543 1.00 52.24 H new ATOM 0 HB3 LEU A 69 -9.865 -6.036 1.878 1.00 52.24 H new ATOM 0 HG LEU A 69 -9.541 -7.696 4.385 1.00 22.05 H new ATOM 0 HD11 LEU A 69 -11.322 -9.239 3.446 1.00 62.12 H new ATOM 0 HD12 LEU A 69 -11.897 -7.583 3.751 1.00 62.12 H new ATOM 0 HD13 LEU A 69 -11.525 -8.104 2.091 1.00 62.12 H new ATOM 0 HD21 LEU A 69 -9.062 -9.752 2.978 1.00 23.32 H new ATOM 0 HD22 LEU A 69 -8.930 -8.691 1.556 1.00 23.32 H new ATOM 0 HD23 LEU A 69 -7.781 -8.520 2.903 1.00 23.32 H new ATOM 1110 N ASN A 70 -7.519 -5.271 0.556 1.00 71.23 N ATOM 1111 CA ASN A 70 -6.968 -5.571 -0.785 1.00 50.02 C ATOM 1112 C ASN A 70 -5.440 -5.348 -0.845 1.00 44.51 C ATOM 1113 O ASN A 70 -4.714 -6.139 -1.467 1.00 75.22 O ATOM 1114 CB ASN A 70 -7.696 -4.720 -1.869 1.00 52.20 C ATOM 1115 CG ASN A 70 -7.321 -5.109 -3.309 1.00 12.53 C ATOM 1116 OD1 ASN A 70 -7.013 -6.269 -3.609 1.00 64.32 O ATOM 1117 ND2 ASN A 70 -7.362 -4.152 -4.210 1.00 60.13 N ATOM 0 H ASN A 70 -8.126 -4.451 0.576 1.00 71.23 H new ATOM 0 HA ASN A 70 -7.145 -6.627 -0.988 1.00 50.02 H new ATOM 0 HB2 ASN A 70 -8.773 -4.828 -1.741 1.00 52.20 H new ATOM 0 HB3 ASN A 70 -7.460 -3.667 -1.712 1.00 52.20 H new ATOM 0 HD21 ASN A 70 -7.137 -4.358 -5.183 1.00 60.13 H new ATOM 0 HD22 ASN A 70 -7.619 -3.204 -3.936 1.00 60.13 H new ATOM 1124 N LEU A 71 -4.952 -4.306 -0.145 1.00 33.11 N ATOM 1125 CA LEU A 71 -3.525 -3.921 -0.178 1.00 13.33 C ATOM 1126 C LEU A 71 -2.756 -4.945 0.680 1.00 54.13 C ATOM 1127 O LEU A 71 -1.620 -5.300 0.376 1.00 13.24 O ATOM 1128 CB LEU A 71 -3.337 -2.448 0.354 1.00 5.42 C ATOM 1129 CG LEU A 71 -2.196 -1.563 -0.280 1.00 44.35 C ATOM 1130 CD1 LEU A 71 -2.223 -0.128 0.297 1.00 24.43 C ATOM 1131 CD2 LEU A 71 -0.790 -2.176 -0.125 1.00 60.21 C ATOM 0 H LEU A 71 -5.527 -3.713 0.453 1.00 33.11 H new ATOM 0 HA LEU A 71 -3.139 -3.931 -1.197 1.00 13.33 H new ATOM 0 HB2 LEU A 71 -4.281 -1.922 0.216 1.00 5.42 H new ATOM 0 HB3 LEU A 71 -3.157 -2.503 1.428 1.00 5.42 H new ATOM 0 HG LEU A 71 -2.405 -1.525 -1.349 1.00 44.35 H new ATOM 0 HD11 LEU A 71 -1.426 0.462 -0.157 1.00 24.43 H new ATOM 0 HD12 LEU A 71 -3.186 0.334 0.078 1.00 24.43 H new ATOM 0 HD13 LEU A 71 -2.076 -0.167 1.376 1.00 24.43 H new ATOM 0 HD21 LEU A 71 -0.053 -1.516 -0.583 1.00 60.21 H new ATOM 0 HD22 LEU A 71 -0.561 -2.297 0.934 1.00 60.21 H new ATOM 0 HD23 LEU A 71 -0.761 -3.149 -0.616 1.00 60.21 H new ATOM 1143 N ARG A 72 -3.431 -5.447 1.743 1.00 2.33 N ATOM 1144 CA ARG A 72 -2.879 -6.501 2.605 1.00 54.13 C ATOM 1145 C ARG A 72 -3.111 -7.914 1.993 1.00 44.14 C ATOM 1146 O ARG A 72 -2.399 -8.863 2.326 1.00 72.30 O ATOM 1147 CB ARG A 72 -3.455 -6.422 4.052 1.00 73.30 C ATOM 1148 CG ARG A 72 -2.700 -7.321 5.030 1.00 14.43 C ATOM 1149 CD ARG A 72 -3.276 -7.354 6.431 1.00 14.21 C ATOM 1150 NE ARG A 72 -2.433 -8.176 7.303 1.00 4.34 N ATOM 1151 CZ ARG A 72 -2.634 -8.365 8.605 1.00 55.54 C ATOM 1152 NH1 ARG A 72 -3.662 -7.804 9.241 1.00 4.22 N ATOM 1153 NH2 ARG A 72 -1.795 -9.129 9.275 1.00 25.33 N ATOM 0 H ARG A 72 -4.361 -5.132 2.018 1.00 2.33 H new ATOM 0 HA ARG A 72 -1.804 -6.333 2.667 1.00 54.13 H new ATOM 0 HB2 ARG A 72 -3.410 -5.391 4.402 1.00 73.30 H new ATOM 0 HB3 ARG A 72 -4.507 -6.708 4.038 1.00 73.30 H new ATOM 0 HG2 ARG A 72 -2.686 -8.336 4.633 1.00 14.43 H new ATOM 0 HG3 ARG A 72 -1.664 -6.986 5.085 1.00 14.43 H new ATOM 0 HD2 ARG A 72 -3.345 -6.341 6.828 1.00 14.21 H new ATOM 0 HD3 ARG A 72 -4.289 -7.756 6.407 1.00 14.21 H new ATOM 0 HE ARG A 72 -1.629 -8.640 6.879 1.00 4.34 H new ATOM 0 HH11 ARG A 72 -4.318 -7.214 8.729 1.00 4.22 H new ATOM 0 HH12 ARG A 72 -3.793 -7.965 10.240 1.00 4.22 H new ATOM 0 HH21 ARG A 72 -1.007 -9.564 8.795 1.00 25.33 H new ATOM 0 HH22 ARG A 72 -1.933 -9.285 10.273 1.00 25.33 H new ATOM 1167 N LYS A 73 -4.084 -8.043 1.064 1.00 23.13 N ATOM 1168 CA LYS A 73 -4.345 -9.309 0.349 1.00 35.11 C ATOM 1169 C LYS A 73 -3.269 -9.472 -0.738 1.00 22.10 C ATOM 1170 O LYS A 73 -2.985 -10.581 -1.198 1.00 14.31 O ATOM 1171 CB LYS A 73 -5.790 -9.324 -0.246 1.00 63.05 C ATOM 1172 CG LYS A 73 -6.213 -10.640 -0.947 1.00 44.42 C ATOM 1173 CD LYS A 73 -6.214 -11.869 -0.004 1.00 52.44 C ATOM 1174 CE LYS A 73 -6.621 -13.167 -0.726 1.00 40.11 C ATOM 1175 NZ LYS A 73 -6.524 -14.353 0.171 1.00 24.24 N ATOM 0 H LYS A 73 -4.704 -7.280 0.792 1.00 23.13 H new ATOM 0 HA LYS A 73 -4.290 -10.153 1.036 1.00 35.11 H new ATOM 0 HB2 LYS A 73 -6.497 -9.119 0.558 1.00 63.05 H new ATOM 0 HB3 LYS A 73 -5.877 -8.508 -0.963 1.00 63.05 H new ATOM 0 HG2 LYS A 73 -7.211 -10.514 -1.368 1.00 44.42 H new ATOM 0 HG3 LYS A 73 -5.537 -10.832 -1.781 1.00 44.42 H new ATOM 0 HD2 LYS A 73 -5.220 -11.993 0.427 1.00 52.44 H new ATOM 0 HD3 LYS A 73 -6.900 -11.687 0.824 1.00 52.44 H new ATOM 0 HE2 LYS A 73 -7.642 -13.073 -1.095 1.00 40.11 H new ATOM 0 HE3 LYS A 73 -5.981 -13.315 -1.595 1.00 40.11 H new ATOM 0 HZ1 LYS A 73 -6.806 -15.207 -0.351 1.00 24.24 H new ATOM 0 HZ2 LYS A 73 -5.544 -14.458 0.503 1.00 24.24 H new ATOM 0 HZ3 LYS A 73 -7.154 -14.223 0.988 1.00 24.24 H new ATOM 1189 N ALA A 74 -2.683 -8.331 -1.138 1.00 4.13 N ATOM 1190 CA ALA A 74 -1.459 -8.290 -1.934 1.00 11.44 C ATOM 1191 C ALA A 74 -0.224 -8.575 -1.046 1.00 31.25 C ATOM 1192 O ALA A 74 0.448 -9.579 -1.233 1.00 14.32 O ATOM 1193 CB ALA A 74 -1.342 -6.930 -2.640 1.00 1.11 C ATOM 0 H ALA A 74 -3.053 -7.408 -0.913 1.00 4.13 H new ATOM 0 HA ALA A 74 -1.501 -9.068 -2.696 1.00 11.44 H new ATOM 0 HB1 ALA A 74 -0.427 -6.905 -3.232 1.00 1.11 H new ATOM 0 HB2 ALA A 74 -2.202 -6.784 -3.294 1.00 1.11 H new ATOM 0 HB3 ALA A 74 -1.314 -6.135 -1.895 1.00 1.11 H new ATOM 1199 N LEU A 75 0.006 -7.729 -0.022 1.00 52.12 N ATOM 1200 CA LEU A 75 1.314 -7.688 0.718 1.00 34.20 C ATOM 1201 C LEU A 75 1.536 -8.845 1.723 1.00 42.20 C ATOM 1202 O LEU A 75 2.689 -9.251 1.895 1.00 62.43 O ATOM 1203 CB LEU A 75 1.585 -6.284 1.389 1.00 15.54 C ATOM 1204 CG LEU A 75 2.306 -5.208 0.487 1.00 5.02 C ATOM 1205 CD1 LEU A 75 1.511 -4.863 -0.788 1.00 11.23 C ATOM 1206 CD2 LEU A 75 2.643 -3.927 1.296 1.00 10.03 C ATOM 0 H LEU A 75 -0.685 -7.062 0.321 1.00 52.12 H new ATOM 0 HA LEU A 75 2.059 -7.842 -0.063 1.00 34.20 H new ATOM 0 HB2 LEU A 75 0.631 -5.872 1.718 1.00 15.54 H new ATOM 0 HB3 LEU A 75 2.189 -6.442 2.283 1.00 15.54 H new ATOM 0 HG LEU A 75 3.241 -5.663 0.158 1.00 5.02 H new ATOM 0 HD11 LEU A 75 2.057 -4.118 -1.367 1.00 11.23 H new ATOM 0 HD12 LEU A 75 1.378 -5.763 -1.388 1.00 11.23 H new ATOM 0 HD13 LEU A 75 0.535 -4.463 -0.511 1.00 11.23 H new ATOM 0 HD21 LEU A 75 3.139 -3.206 0.646 1.00 10.03 H new ATOM 0 HD22 LEU A 75 1.724 -3.491 1.687 1.00 10.03 H new ATOM 0 HD23 LEU A 75 3.304 -4.183 2.124 1.00 10.03 H new ATOM 1218 N THR A 76 0.479 -9.386 2.377 1.00 44.33 N ATOM 1219 CA THR A 76 0.651 -10.533 3.307 1.00 42.35 C ATOM 1220 C THR A 76 1.156 -11.816 2.569 1.00 22.01 C ATOM 1221 O THR A 76 2.174 -12.368 3.008 1.00 24.22 O ATOM 1222 CB THR A 76 -0.619 -10.830 4.203 1.00 30.15 C ATOM 1223 OG1 THR A 76 -0.799 -9.770 5.132 1.00 30.42 O ATOM 1224 CG2 THR A 76 -0.511 -12.166 4.974 1.00 1.34 C ATOM 0 H THR A 76 -0.482 -9.057 2.283 1.00 44.33 H new ATOM 0 HA THR A 76 1.431 -10.223 4.003 1.00 42.35 H new ATOM 0 HB THR A 76 -1.474 -10.910 3.531 1.00 30.15 H new ATOM 0 HG1 THR A 76 -0.491 -8.930 4.733 1.00 30.42 H new ATOM 0 HG21 THR A 76 -1.411 -12.315 5.571 1.00 1.34 H new ATOM 0 HG22 THR A 76 -0.405 -12.987 4.265 1.00 1.34 H new ATOM 0 HG23 THR A 76 0.359 -12.138 5.630 1.00 1.34 H new ATOM 1232 N PRO A 77 0.521 -12.310 1.423 1.00 54.31 N ATOM 1233 CA PRO A 77 1.054 -13.487 0.680 1.00 33.10 C ATOM 1234 C PRO A 77 2.469 -13.255 0.108 1.00 42.21 C ATOM 1235 O PRO A 77 3.298 -14.170 0.135 1.00 24.23 O ATOM 1236 CB PRO A 77 0.018 -13.734 -0.450 1.00 42.43 C ATOM 1237 CG PRO A 77 -1.222 -13.046 0.024 1.00 52.31 C ATOM 1238 CD PRO A 77 -0.736 -11.832 0.778 1.00 64.21 C ATOM 0 HA PRO A 77 1.173 -14.346 1.340 1.00 33.10 H new ATOM 0 HB2 PRO A 77 0.361 -13.324 -1.400 1.00 42.43 H new ATOM 0 HB3 PRO A 77 -0.154 -14.799 -0.606 1.00 42.43 H new ATOM 0 HG2 PRO A 77 -1.859 -12.761 -0.813 1.00 52.31 H new ATOM 0 HG3 PRO A 77 -1.813 -13.698 0.667 1.00 52.31 H new ATOM 0 HD2 PRO A 77 -0.551 -10.991 0.110 1.00 64.21 H new ATOM 0 HD3 PRO A 77 -1.465 -11.498 1.516 1.00 64.21 H new ATOM 1246 N LEU A 78 2.747 -12.018 -0.374 1.00 34.34 N ATOM 1247 CA LEU A 78 4.085 -11.666 -0.937 1.00 42.31 C ATOM 1248 C LEU A 78 5.165 -11.609 0.161 1.00 41.10 C ATOM 1249 O LEU A 78 6.353 -11.855 -0.116 1.00 22.14 O ATOM 1250 CB LEU A 78 4.089 -10.306 -1.717 1.00 5.11 C ATOM 1251 CG LEU A 78 3.013 -10.126 -2.854 1.00 3.34 C ATOM 1252 CD1 LEU A 78 3.085 -8.733 -3.538 1.00 72.04 C ATOM 1253 CD2 LEU A 78 3.061 -11.250 -3.921 1.00 33.24 C ATOM 0 H LEU A 78 2.074 -11.252 -0.387 1.00 34.34 H new ATOM 0 HA LEU A 78 4.315 -12.464 -1.643 1.00 42.31 H new ATOM 0 HB2 LEU A 78 3.955 -9.501 -0.994 1.00 5.11 H new ATOM 0 HB3 LEU A 78 5.076 -10.174 -2.161 1.00 5.11 H new ATOM 0 HG LEU A 78 2.054 -10.199 -2.341 1.00 3.34 H new ATOM 0 HD11 LEU A 78 2.320 -8.668 -4.312 1.00 72.04 H new ATOM 0 HD12 LEU A 78 2.916 -7.954 -2.795 1.00 72.04 H new ATOM 0 HD13 LEU A 78 4.069 -8.599 -3.988 1.00 72.04 H new ATOM 0 HD21 LEU A 78 2.296 -11.068 -4.676 1.00 33.24 H new ATOM 0 HD22 LEU A 78 4.043 -11.260 -4.395 1.00 33.24 H new ATOM 0 HD23 LEU A 78 2.878 -12.213 -3.444 1.00 33.24 H new ATOM 1265 N ALA A 79 4.745 -11.254 1.388 1.00 41.12 N ATOM 1266 CA ALA A 79 5.625 -11.233 2.560 1.00 35.22 C ATOM 1267 C ALA A 79 5.972 -12.670 2.988 1.00 63.23 C ATOM 1268 O ALA A 79 7.145 -12.980 3.184 1.00 12.41 O ATOM 1269 CB ALA A 79 4.973 -10.454 3.709 1.00 21.02 C ATOM 0 H ALA A 79 3.785 -10.974 1.591 1.00 41.12 H new ATOM 0 HA ALA A 79 6.552 -10.723 2.296 1.00 35.22 H new ATOM 0 HB1 ALA A 79 5.641 -10.449 4.570 1.00 21.02 H new ATOM 0 HB2 ALA A 79 4.783 -9.429 3.392 1.00 21.02 H new ATOM 0 HB3 ALA A 79 4.031 -10.930 3.983 1.00 21.02 H new ATOM 1275 N ILE A 80 4.937 -13.546 3.072 1.00 72.14 N ATOM 1276 CA ILE A 80 5.097 -14.983 3.427 1.00 62.22 C ATOM 1277 C ILE A 80 6.027 -15.692 2.419 1.00 2.25 C ATOM 1278 O ILE A 80 6.910 -16.466 2.801 1.00 52.30 O ATOM 1279 CB ILE A 80 3.696 -15.731 3.500 1.00 30.40 C ATOM 1280 CG1 ILE A 80 2.775 -15.098 4.606 1.00 65.31 C ATOM 1281 CG2 ILE A 80 3.869 -17.263 3.721 1.00 11.33 C ATOM 1282 CD1 ILE A 80 1.377 -15.699 4.693 1.00 5.10 C ATOM 0 H ILE A 80 3.969 -13.277 2.896 1.00 72.14 H new ATOM 0 HA ILE A 80 5.550 -15.025 4.418 1.00 62.22 H new ATOM 0 HB ILE A 80 3.206 -15.598 2.536 1.00 30.40 H new ATOM 0 HG12 ILE A 80 3.264 -15.209 5.574 1.00 65.31 H new ATOM 0 HG13 ILE A 80 2.685 -14.029 4.416 1.00 65.31 H new ATOM 0 HG21 ILE A 80 2.889 -17.737 3.765 1.00 11.33 H new ATOM 0 HG22 ILE A 80 4.441 -17.687 2.896 1.00 11.33 H new ATOM 0 HG23 ILE A 80 4.399 -17.438 4.657 1.00 11.33 H new ATOM 0 HD11 ILE A 80 0.815 -15.200 5.483 1.00 5.10 H new ATOM 0 HD12 ILE A 80 0.863 -15.564 3.741 1.00 5.10 H new ATOM 0 HD13 ILE A 80 1.452 -16.763 4.917 1.00 5.10 H new ATOM 1294 N ASN A 81 5.831 -15.383 1.132 1.00 44.11 N ATOM 1295 CA ASN A 81 6.677 -15.897 0.036 1.00 13.55 C ATOM 1296 C ASN A 81 8.053 -15.205 0.024 1.00 30.41 C ATOM 1297 O ASN A 81 8.996 -15.734 -0.577 1.00 3.35 O ATOM 1298 CB ASN A 81 5.954 -15.717 -1.322 1.00 11.44 C ATOM 1299 CG ASN A 81 4.718 -16.611 -1.485 1.00 22.15 C ATOM 1300 OD1 ASN A 81 4.068 -16.997 -0.509 1.00 64.35 O ATOM 1301 ND2 ASN A 81 4.380 -16.942 -2.720 1.00 13.20 N ATOM 0 H ASN A 81 5.081 -14.769 0.815 1.00 44.11 H new ATOM 0 HA ASN A 81 6.847 -16.961 0.202 1.00 13.55 H new ATOM 0 HB2 ASN A 81 5.654 -14.674 -1.429 1.00 11.44 H new ATOM 0 HB3 ASN A 81 6.655 -15.931 -2.128 1.00 11.44 H new ATOM 0 HD21 ASN A 81 3.564 -17.531 -2.885 1.00 13.20 H new ATOM 0 HD22 ASN A 81 4.936 -16.608 -3.508 1.00 13.20 H new ATOM 1308 N ARG A 82 8.147 -14.026 0.691 1.00 60.53 N ATOM 1309 CA ARG A 82 9.414 -13.279 0.873 1.00 5.43 C ATOM 1310 C ARG A 82 10.009 -12.819 -0.477 1.00 34.23 C ATOM 1311 O ARG A 82 11.116 -13.219 -0.851 1.00 44.22 O ATOM 1312 CB ARG A 82 10.462 -14.064 1.736 1.00 31.33 C ATOM 1313 CG ARG A 82 10.020 -14.378 3.185 1.00 33.42 C ATOM 1314 CD ARG A 82 11.151 -14.994 4.021 1.00 33.35 C ATOM 1315 NE ARG A 82 12.309 -14.083 4.131 1.00 42.31 N ATOM 1316 CZ ARG A 82 12.561 -13.262 5.165 1.00 51.54 C ATOM 1317 NH1 ARG A 82 11.747 -13.205 6.228 1.00 65.12 N ATOM 1318 NH2 ARG A 82 13.628 -12.482 5.121 1.00 43.15 N ATOM 0 H ARG A 82 7.342 -13.567 1.118 1.00 60.53 H new ATOM 0 HA ARG A 82 9.162 -12.382 1.439 1.00 5.43 H new ATOM 0 HB2 ARG A 82 10.693 -15.003 1.232 1.00 31.33 H new ATOM 0 HB3 ARG A 82 11.385 -13.486 1.772 1.00 31.33 H new ATOM 0 HG2 ARG A 82 9.676 -13.461 3.664 1.00 33.42 H new ATOM 0 HG3 ARG A 82 9.173 -15.064 3.163 1.00 33.42 H new ATOM 0 HD2 ARG A 82 10.779 -15.231 5.018 1.00 33.35 H new ATOM 0 HD3 ARG A 82 11.469 -15.933 3.568 1.00 33.35 H new ATOM 0 HE ARG A 82 12.973 -14.077 3.357 1.00 42.31 H new ATOM 0 HH11 ARG A 82 10.914 -13.793 6.265 1.00 65.12 H new ATOM 0 HH12 ARG A 82 11.960 -12.574 7.000 1.00 65.12 H new ATOM 0 HH21 ARG A 82 14.246 -12.509 4.310 1.00 43.15 H new ATOM 0 HH22 ARG A 82 13.833 -11.854 5.898 1.00 43.15 H new ATOM 1332 N THR A 83 9.237 -12.007 -1.221 1.00 33.41 N ATOM 1333 CA THR A 83 9.685 -11.415 -2.508 1.00 53.32 C ATOM 1334 C THR A 83 9.317 -9.911 -2.600 1.00 23.14 C ATOM 1335 O THR A 83 9.582 -9.263 -3.620 1.00 41.12 O ATOM 1336 CB THR A 83 9.095 -12.222 -3.720 1.00 3.34 C ATOM 1337 OG1 THR A 83 9.712 -11.827 -4.957 1.00 34.52 O ATOM 1338 CG2 THR A 83 7.581 -12.054 -3.842 1.00 64.40 C ATOM 0 H THR A 83 8.289 -11.740 -0.955 1.00 33.41 H new ATOM 0 HA THR A 83 10.772 -11.483 -2.550 1.00 53.32 H new ATOM 0 HB THR A 83 9.312 -13.272 -3.523 1.00 3.34 H new ATOM 0 HG1 THR A 83 9.864 -10.859 -4.952 1.00 34.52 H new ATOM 0 HG21 THR A 83 7.218 -12.630 -4.694 1.00 64.40 H new ATOM 0 HG22 THR A 83 7.101 -12.412 -2.931 1.00 64.40 H new ATOM 0 HG23 THR A 83 7.342 -11.001 -3.988 1.00 64.40 H new ATOM 1346 N LEU A 84 8.713 -9.366 -1.523 1.00 5.01 N ATOM 1347 CA LEU A 84 8.439 -7.920 -1.382 1.00 41.40 C ATOM 1348 C LEU A 84 9.775 -7.193 -1.096 1.00 44.31 C ATOM 1349 O LEU A 84 10.679 -7.804 -0.510 1.00 13.13 O ATOM 1350 CB LEU A 84 7.425 -7.714 -0.205 1.00 63.41 C ATOM 1351 CG LEU A 84 6.876 -6.257 0.061 1.00 64.05 C ATOM 1352 CD1 LEU A 84 5.777 -5.852 -0.948 1.00 75.02 C ATOM 1353 CD2 LEU A 84 6.381 -6.096 1.519 1.00 63.44 C ATOM 0 H LEU A 84 8.401 -9.918 -0.724 1.00 5.01 H new ATOM 0 HA LEU A 84 8.003 -7.511 -2.294 1.00 41.40 H new ATOM 0 HB2 LEU A 84 6.569 -8.364 -0.385 1.00 63.41 H new ATOM 0 HB3 LEU A 84 7.903 -8.062 0.711 1.00 63.41 H new ATOM 0 HG LEU A 84 7.713 -5.575 -0.087 1.00 64.05 H new ATOM 0 HD11 LEU A 84 5.431 -4.843 -0.724 1.00 75.02 H new ATOM 0 HD12 LEU A 84 6.183 -5.880 -1.959 1.00 75.02 H new ATOM 0 HD13 LEU A 84 4.941 -6.547 -0.873 1.00 75.02 H new ATOM 0 HD21 LEU A 84 6.010 -5.082 1.667 1.00 63.44 H new ATOM 0 HD22 LEU A 84 5.578 -6.808 1.711 1.00 63.44 H new ATOM 0 HD23 LEU A 84 7.206 -6.285 2.206 1.00 63.44 H new ATOM 1365 N ASN A 85 9.925 -5.911 -1.499 1.00 73.03 N ATOM 1366 CA ASN A 85 11.209 -5.169 -1.237 1.00 72.24 C ATOM 1367 C ASN A 85 11.304 -4.813 0.257 1.00 52.54 C ATOM 1368 O ASN A 85 12.409 -4.682 0.801 1.00 24.10 O ATOM 1369 CB ASN A 85 11.409 -3.891 -2.102 1.00 71.11 C ATOM 1370 CG ASN A 85 12.807 -3.245 -1.936 1.00 15.52 C ATOM 1371 OD1 ASN A 85 13.810 -3.927 -1.729 1.00 31.25 O ATOM 1372 ND2 ASN A 85 12.888 -1.937 -2.048 1.00 50.11 N ATOM 0 H ASN A 85 9.211 -5.373 -1.990 1.00 73.03 H new ATOM 0 HA ASN A 85 12.011 -5.847 -1.529 1.00 72.24 H new ATOM 0 HB2 ASN A 85 11.257 -4.145 -3.151 1.00 71.11 H new ATOM 0 HB3 ASN A 85 10.646 -3.159 -1.837 1.00 71.11 H new ATOM 0 HD21 ASN A 85 13.792 -1.473 -1.963 1.00 50.11 H new ATOM 0 HD22 ASN A 85 12.046 -1.387 -2.220 1.00 50.11 H new ATOM 1379 N HIS A 86 10.117 -4.613 0.890 1.00 44.43 N ATOM 1380 CA HIS A 86 9.967 -4.534 2.365 1.00 14.35 C ATOM 1381 C HIS A 86 10.563 -3.220 2.932 1.00 43.24 C ATOM 1382 O HIS A 86 10.566 -3.000 4.147 1.00 41.10 O ATOM 1383 CB HIS A 86 10.590 -5.814 3.012 1.00 12.44 C ATOM 1384 CG HIS A 86 10.370 -5.999 4.486 1.00 33.50 C ATOM 1385 ND1 HIS A 86 11.366 -5.829 5.423 1.00 32.30 N ATOM 1386 CD2 HIS A 86 9.280 -6.391 5.179 1.00 1.32 C ATOM 1387 CE1 HIS A 86 10.898 -6.109 6.616 1.00 72.51 C ATOM 1388 NE2 HIS A 86 9.636 -6.453 6.498 1.00 1.01 N ATOM 0 H HIS A 86 9.236 -4.502 0.388 1.00 44.43 H new ATOM 0 HA HIS A 86 8.908 -4.505 2.621 1.00 14.35 H new ATOM 0 HB2 HIS A 86 10.189 -6.686 2.496 1.00 12.44 H new ATOM 0 HB3 HIS A 86 11.664 -5.801 2.827 1.00 12.44 H new ATOM 0 HD2 HIS A 86 8.307 -6.614 4.768 1.00 1.32 H new ATOM 0 HE1 HIS A 86 11.456 -6.064 7.539 1.00 72.51 H new ATOM 0 HE2 HIS A 86 9.021 -6.723 7.266 1.00 1.01 H new ATOM 1397 N ASP A 87 11.007 -2.317 2.024 1.00 1.22 N ATOM 1398 CA ASP A 87 11.615 -1.019 2.389 1.00 60.52 C ATOM 1399 C ASP A 87 10.525 0.009 2.824 1.00 31.43 C ATOM 1400 O ASP A 87 10.834 1.101 3.302 1.00 41.50 O ATOM 1401 CB ASP A 87 12.527 -0.499 1.216 1.00 73.35 C ATOM 1402 CG ASP A 87 13.354 0.742 1.593 1.00 25.45 C ATOM 1403 OD1 ASP A 87 12.953 1.877 1.251 1.00 23.43 O ATOM 1404 OD2 ASP A 87 14.416 0.590 2.236 1.00 45.11 O ATOM 0 H ASP A 87 10.952 -2.471 1.017 1.00 1.22 H new ATOM 0 HA ASP A 87 12.260 -1.155 3.257 1.00 60.52 H new ATOM 0 HB2 ASP A 87 13.202 -1.298 0.909 1.00 73.35 H new ATOM 0 HB3 ASP A 87 11.901 -0.262 0.356 1.00 73.35 H new ATOM 1409 N LEU A 88 9.234 -0.388 2.700 1.00 14.43 N ATOM 1410 CA LEU A 88 8.079 0.350 3.262 1.00 71.05 C ATOM 1411 C LEU A 88 7.289 -0.592 4.179 1.00 55.04 C ATOM 1412 O LEU A 88 6.049 -0.602 4.178 1.00 15.05 O ATOM 1413 CB LEU A 88 7.145 0.999 2.190 1.00 33.13 C ATOM 1414 CG LEU A 88 6.729 0.124 0.949 1.00 74.24 C ATOM 1415 CD1 LEU A 88 5.289 0.457 0.499 1.00 35.03 C ATOM 1416 CD2 LEU A 88 7.703 0.354 -0.216 1.00 43.13 C ATOM 0 H LEU A 88 8.965 -1.237 2.203 1.00 14.43 H new ATOM 0 HA LEU A 88 8.481 1.192 3.826 1.00 71.05 H new ATOM 0 HB2 LEU A 88 6.233 1.322 2.692 1.00 33.13 H new ATOM 0 HB3 LEU A 88 7.638 1.896 1.816 1.00 33.13 H new ATOM 0 HG LEU A 88 6.767 -0.924 1.247 1.00 74.24 H new ATOM 0 HD11 LEU A 88 5.024 -0.160 -0.360 1.00 35.03 H new ATOM 0 HD12 LEU A 88 4.597 0.257 1.317 1.00 35.03 H new ATOM 0 HD13 LEU A 88 5.229 1.509 0.222 1.00 35.03 H new ATOM 0 HD21 LEU A 88 7.403 -0.257 -1.067 1.00 43.13 H new ATOM 0 HD22 LEU A 88 7.687 1.406 -0.501 1.00 43.13 H new ATOM 0 HD23 LEU A 88 8.711 0.077 0.092 1.00 43.13 H new ATOM 1428 N SER A 89 8.028 -1.387 4.981 1.00 34.21 N ATOM 1429 CA SER A 89 7.434 -2.296 5.979 1.00 12.13 C ATOM 1430 C SER A 89 6.559 -1.529 7.005 1.00 31.42 C ATOM 1431 O SER A 89 5.648 -2.110 7.599 1.00 21.24 O ATOM 1432 CB SER A 89 8.552 -3.084 6.693 1.00 3.23 C ATOM 1433 OG SER A 89 9.529 -2.221 7.250 1.00 34.41 O ATOM 0 H SER A 89 9.047 -1.416 4.954 1.00 34.21 H new ATOM 0 HA SER A 89 6.779 -2.994 5.458 1.00 12.13 H new ATOM 0 HB2 SER A 89 8.117 -3.698 7.481 1.00 3.23 H new ATOM 0 HB3 SER A 89 9.027 -3.763 5.985 1.00 3.23 H new ATOM 0 HG SER A 89 10.220 -2.754 7.695 1.00 34.41 H new ATOM 1439 N GLU A 90 6.847 -0.215 7.181 1.00 73.12 N ATOM 1440 CA GLU A 90 6.080 0.687 8.074 1.00 53.52 C ATOM 1441 C GLU A 90 4.685 1.015 7.500 1.00 43.12 C ATOM 1442 O GLU A 90 3.813 1.371 8.265 1.00 40.41 O ATOM 1443 CB GLU A 90 6.872 2.007 8.359 1.00 53.53 C ATOM 1444 CG GLU A 90 8.137 1.869 9.252 1.00 33.01 C ATOM 1445 CD GLU A 90 8.917 3.186 9.350 1.00 73.42 C ATOM 1446 OE1 GLU A 90 9.796 3.425 8.498 1.00 23.51 O ATOM 1447 OE2 GLU A 90 8.642 3.995 10.266 1.00 64.43 O ATOM 0 H GLU A 90 7.621 0.249 6.705 1.00 73.12 H new ATOM 0 HA GLU A 90 5.938 0.155 9.015 1.00 53.52 H new ATOM 0 HB2 GLU A 90 7.172 2.439 7.404 1.00 53.53 H new ATOM 0 HB3 GLU A 90 6.194 2.718 8.832 1.00 53.53 H new ATOM 0 HG2 GLU A 90 7.842 1.547 10.251 1.00 33.01 H new ATOM 0 HG3 GLU A 90 8.785 1.093 8.845 1.00 33.01 H new ATOM 1454 N LEU A 91 4.503 0.918 6.162 1.00 1.35 N ATOM 1455 CA LEU A 91 3.183 1.091 5.507 1.00 74.24 C ATOM 1456 C LEU A 91 2.291 -0.122 5.861 1.00 22.32 C ATOM 1457 O LEU A 91 1.126 0.039 6.296 1.00 73.20 O ATOM 1458 CB LEU A 91 3.382 1.260 3.949 1.00 34.21 C ATOM 1459 CG LEU A 91 2.198 1.876 3.102 1.00 70.40 C ATOM 1460 CD1 LEU A 91 1.000 0.913 2.902 1.00 33.34 C ATOM 1461 CD2 LEU A 91 1.735 3.216 3.707 1.00 0.11 C ATOM 0 H LEU A 91 5.261 0.719 5.509 1.00 1.35 H new ATOM 0 HA LEU A 91 2.685 1.992 5.865 1.00 74.24 H new ATOM 0 HB2 LEU A 91 4.262 1.884 3.793 1.00 34.21 H new ATOM 0 HB3 LEU A 91 3.610 0.278 3.535 1.00 34.21 H new ATOM 0 HG LEU A 91 2.602 2.053 2.105 1.00 70.40 H new ATOM 0 HD11 LEU A 91 0.229 1.409 2.312 1.00 33.34 H new ATOM 0 HD12 LEU A 91 1.337 0.017 2.381 1.00 33.34 H new ATOM 0 HD13 LEU A 91 0.590 0.635 3.873 1.00 33.34 H new ATOM 0 HD21 LEU A 91 0.920 3.623 3.109 1.00 0.11 H new ATOM 0 HD22 LEU A 91 1.390 3.054 4.728 1.00 0.11 H new ATOM 0 HD23 LEU A 91 2.567 3.920 3.712 1.00 0.11 H new ATOM 1473 N TYR A 92 2.881 -1.334 5.730 1.00 33.51 N ATOM 1474 CA TYR A 92 2.190 -2.600 6.021 1.00 13.13 C ATOM 1475 C TYR A 92 1.866 -2.680 7.533 1.00 74.42 C ATOM 1476 O TYR A 92 0.814 -3.197 7.941 1.00 53.20 O ATOM 1477 CB TYR A 92 3.068 -3.797 5.568 1.00 14.43 C ATOM 1478 CG TYR A 92 2.525 -5.189 5.952 1.00 41.53 C ATOM 1479 CD1 TYR A 92 3.214 -6.012 6.851 1.00 73.10 C ATOM 1480 CD2 TYR A 92 1.329 -5.681 5.425 1.00 45.40 C ATOM 1481 CE1 TYR A 92 2.733 -7.248 7.216 1.00 40.14 C ATOM 1482 CE2 TYR A 92 0.849 -6.921 5.790 1.00 30.03 C ATOM 1483 CZ TYR A 92 1.557 -7.701 6.679 1.00 32.50 C ATOM 1484 OH TYR A 92 1.072 -8.935 7.051 1.00 60.31 O ATOM 0 H TYR A 92 3.845 -1.455 5.421 1.00 33.51 H new ATOM 0 HA TYR A 92 1.252 -2.643 5.468 1.00 13.13 H new ATOM 0 HB2 TYR A 92 3.182 -3.755 4.485 1.00 14.43 H new ATOM 0 HB3 TYR A 92 4.063 -3.681 5.998 1.00 14.43 H new ATOM 0 HD1 TYR A 92 4.148 -5.667 7.269 1.00 73.10 H new ATOM 0 HD2 TYR A 92 0.772 -5.081 4.721 1.00 45.40 H new ATOM 0 HE1 TYR A 92 3.279 -7.857 7.921 1.00 40.14 H new ATOM 0 HE2 TYR A 92 -0.082 -7.281 5.379 1.00 30.03 H new ATOM 0 HH TYR A 92 0.416 -9.241 6.391 1.00 60.31 H new ATOM 1494 N LYS A 93 2.791 -2.123 8.343 1.00 4.15 N ATOM 1495 CA LYS A 93 2.645 -2.015 9.799 1.00 22.34 C ATOM 1496 C LYS A 93 1.588 -0.961 10.157 1.00 33.50 C ATOM 1497 O LYS A 93 0.779 -1.180 11.046 1.00 74.44 O ATOM 1498 CB LYS A 93 4.006 -1.654 10.451 1.00 42.01 C ATOM 1499 CG LYS A 93 3.978 -1.571 11.994 1.00 0.13 C ATOM 1500 CD LYS A 93 5.347 -1.199 12.600 1.00 13.25 C ATOM 1501 CE LYS A 93 6.430 -2.256 12.325 1.00 64.45 C ATOM 1502 NZ LYS A 93 7.768 -1.842 12.828 1.00 44.42 N ATOM 0 H LYS A 93 3.667 -1.733 7.995 1.00 4.15 H new ATOM 0 HA LYS A 93 2.316 -2.980 10.186 1.00 22.34 H new ATOM 0 HB2 LYS A 93 4.745 -2.398 10.154 1.00 42.01 H new ATOM 0 HB3 LYS A 93 4.341 -0.695 10.055 1.00 42.01 H new ATOM 0 HG2 LYS A 93 3.238 -0.831 12.300 1.00 0.13 H new ATOM 0 HG3 LYS A 93 3.656 -2.530 12.399 1.00 0.13 H new ATOM 0 HD2 LYS A 93 5.670 -0.241 12.194 1.00 13.25 H new ATOM 0 HD3 LYS A 93 5.239 -1.069 13.677 1.00 13.25 H new ATOM 0 HE2 LYS A 93 6.143 -3.197 12.795 1.00 64.45 H new ATOM 0 HE3 LYS A 93 6.489 -2.441 11.252 1.00 64.45 H new ATOM 0 HZ1 LYS A 93 8.463 -2.587 12.619 1.00 44.42 H new ATOM 0 HZ2 LYS A 93 8.056 -0.958 12.361 1.00 44.42 H new ATOM 0 HZ3 LYS A 93 7.721 -1.691 13.856 1.00 44.42 H new ATOM 1516 N PHE A 94 1.597 0.160 9.415 1.00 22.21 N ATOM 1517 CA PHE A 94 0.708 1.324 9.654 1.00 52.02 C ATOM 1518 C PHE A 94 -0.767 0.912 9.603 1.00 51.40 C ATOM 1519 O PHE A 94 -1.541 1.217 10.532 1.00 21.00 O ATOM 1520 CB PHE A 94 1.022 2.426 8.600 1.00 21.21 C ATOM 1521 CG PHE A 94 0.066 3.609 8.532 1.00 74.33 C ATOM 1522 CD1 PHE A 94 -0.771 3.780 7.427 1.00 72.04 C ATOM 1523 CD2 PHE A 94 0.024 4.565 9.545 1.00 31.45 C ATOM 1524 CE1 PHE A 94 -1.618 4.856 7.344 1.00 4.22 C ATOM 1525 CE2 PHE A 94 -0.833 5.641 9.457 1.00 24.15 C ATOM 1526 CZ PHE A 94 -1.648 5.789 8.354 1.00 12.14 C ATOM 0 H PHE A 94 2.226 0.291 8.623 1.00 22.21 H new ATOM 0 HA PHE A 94 0.893 1.720 10.653 1.00 52.02 H new ATOM 0 HB2 PHE A 94 2.023 2.810 8.799 1.00 21.21 H new ATOM 0 HB3 PHE A 94 1.050 1.956 7.617 1.00 21.21 H new ATOM 0 HD1 PHE A 94 -0.751 3.055 6.627 1.00 72.04 H new ATOM 0 HD2 PHE A 94 0.668 4.462 10.406 1.00 31.45 H new ATOM 0 HE1 PHE A 94 -2.262 4.971 6.485 1.00 4.22 H new ATOM 0 HE2 PHE A 94 -0.866 6.370 10.253 1.00 24.15 H new ATOM 0 HZ PHE A 94 -2.311 6.639 8.283 1.00 12.14 H new ATOM 1536 N ILE A 95 -1.132 0.153 8.548 1.00 70.13 N ATOM 1537 CA ILE A 95 -2.532 -0.297 8.347 1.00 25.30 C ATOM 1538 C ILE A 95 -2.942 -1.388 9.379 1.00 54.54 C ATOM 1539 O ILE A 95 -4.104 -1.768 9.438 1.00 15.23 O ATOM 1540 CB ILE A 95 -2.817 -0.748 6.847 1.00 45.14 C ATOM 1541 CG1 ILE A 95 -2.278 -2.191 6.524 1.00 50.35 C ATOM 1542 CG2 ILE A 95 -2.279 0.320 5.849 1.00 71.51 C ATOM 1543 CD1 ILE A 95 -2.194 -2.546 5.044 1.00 65.53 C ATOM 0 H ILE A 95 -0.484 -0.161 7.825 1.00 70.13 H new ATOM 0 HA ILE A 95 -3.169 0.569 8.530 1.00 25.30 H new ATOM 0 HB ILE A 95 -3.898 -0.813 6.727 1.00 45.14 H new ATOM 0 HG12 ILE A 95 -1.285 -2.295 6.961 1.00 50.35 H new ATOM 0 HG13 ILE A 95 -2.922 -2.919 7.018 1.00 50.35 H new ATOM 0 HG21 ILE A 95 -2.481 -0.002 4.827 1.00 71.51 H new ATOM 0 HG22 ILE A 95 -2.775 1.273 6.034 1.00 71.51 H new ATOM 0 HG23 ILE A 95 -1.204 0.438 5.986 1.00 71.51 H new ATOM 0 HD11 ILE A 95 -1.811 -3.561 4.934 1.00 65.53 H new ATOM 0 HD12 ILE A 95 -3.186 -2.483 4.598 1.00 65.53 H new ATOM 0 HD13 ILE A 95 -1.524 -1.849 4.540 1.00 65.53 H new ATOM 1555 N THR A 96 -1.983 -1.860 10.221 1.00 1.40 N ATOM 1556 CA THR A 96 -2.259 -2.805 11.330 1.00 72.33 C ATOM 1557 C THR A 96 -2.038 -2.137 12.703 1.00 64.53 C ATOM 1558 O THR A 96 -2.457 -2.680 13.728 1.00 31.24 O ATOM 1559 CB THR A 96 -1.391 -4.112 11.227 1.00 10.31 C ATOM 1560 OG1 THR A 96 -0.021 -3.782 10.960 1.00 51.04 O ATOM 1561 CG2 THR A 96 -1.896 -5.073 10.146 1.00 51.44 C ATOM 0 H THR A 96 -1.001 -1.595 10.148 1.00 1.40 H new ATOM 0 HA THR A 96 -3.307 -3.089 11.239 1.00 72.33 H new ATOM 0 HB THR A 96 -1.477 -4.617 12.189 1.00 10.31 H new ATOM 0 HG1 THR A 96 0.134 -2.837 11.168 1.00 51.04 H new ATOM 0 HG21 THR A 96 -1.260 -5.958 10.119 1.00 51.44 H new ATOM 0 HG22 THR A 96 -2.920 -5.370 10.372 1.00 51.44 H new ATOM 0 HG23 THR A 96 -1.868 -4.577 9.176 1.00 51.44 H new