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 86 HIS : no HD1:sc=-0.00882 X(o=-0.0088,f=0.23) USER MOD Set 1.2: A 89 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot 82:sc= 2.21 USER MOD Set 2.2: A 92 TYR OH : rot -147:sc= 1.19 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -177:sc= -0.437 (180deg=-0.446) USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.301 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= 0.122 X(o=0.12,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.068 K(o=-0.068,f=-1.6!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -1.21 (180deg=-2.98!) USER MOD Single : A 60 ASN : amide:sc= -0.0559 K(o=-0.056,f=-2!) USER MOD Single : A 61 SER OG : rot -16:sc= 1.07 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 83 THR OG1 : rot -42:sc= 0.204 USER MOD Single : A 85 ASN : amide:sc= -0.0105 K(o=-0.01,f=-2.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 19:sc= 0.0908 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.891 9.078 5.634 1.00 54.15 N ATOM 437 CA GLU A 28 -5.428 9.123 4.251 1.00 63.33 C ATOM 438 C GLU A 28 -4.164 9.980 4.151 1.00 5.24 C ATOM 439 O GLU A 28 -3.232 9.533 3.552 1.00 52.02 O ATOM 440 CB GLU A 28 -6.514 9.575 3.247 1.00 33.12 C ATOM 441 CG GLU A 28 -7.560 8.498 2.933 1.00 20.51 C ATOM 442 CD GLU A 28 -8.535 8.915 1.829 1.00 53.44 C ATOM 443 OE1 GLU A 28 -8.402 8.444 0.679 1.00 62.10 O ATOM 444 OE2 GLU A 28 -9.422 9.733 2.103 1.00 33.10 O ATOM 0 HA GLU A 28 -5.187 8.100 3.961 1.00 63.33 H new ATOM 0 HB2 GLU A 28 -7.021 10.454 3.647 1.00 33.12 H new ATOM 0 HB3 GLU A 28 -6.032 9.880 2.318 1.00 33.12 H new ATOM 0 HG2 GLU A 28 -7.051 7.582 2.634 1.00 20.51 H new ATOM 0 HG3 GLU A 28 -8.122 8.270 3.839 1.00 20.51 H new ATOM 451 N ASN A 29 -4.112 11.171 4.794 1.00 54.42 N ATOM 452 CA ASN A 29 -2.874 12.014 4.798 1.00 44.55 C ATOM 453 C ASN A 29 -1.629 11.179 5.203 1.00 73.31 C ATOM 454 O ASN A 29 -0.615 11.185 4.493 1.00 54.00 O ATOM 455 CB ASN A 29 -3.000 13.269 5.733 1.00 73.03 C ATOM 456 CG ASN A 29 -3.760 14.455 5.113 1.00 24.24 C ATOM 457 OD1 ASN A 29 -4.625 14.289 4.251 1.00 25.44 O ATOM 458 ND2 ASN A 29 -3.441 15.664 5.547 1.00 65.11 N ATOM 0 H ASN A 29 -4.895 11.572 5.311 1.00 54.42 H new ATOM 0 HA ASN A 29 -2.748 12.374 3.777 1.00 44.55 H new ATOM 0 HB2 ASN A 29 -3.504 12.972 6.652 1.00 73.03 H new ATOM 0 HB3 ASN A 29 -2.000 13.601 6.011 1.00 73.03 H new ATOM 0 HD21 ASN A 29 -3.915 16.484 5.167 1.00 65.11 H new ATOM 0 HD22 ASN A 29 -2.722 15.776 6.261 1.00 65.11 H new ATOM 465 N GLU A 30 -1.763 10.389 6.292 1.00 42.15 N ATOM 466 CA GLU A 30 -0.645 9.600 6.858 1.00 44.11 C ATOM 467 C GLU A 30 -0.225 8.436 5.925 1.00 61.01 C ATOM 468 O GLU A 30 0.958 8.308 5.601 1.00 60.11 O ATOM 469 CB GLU A 30 -1.001 9.101 8.286 1.00 4.45 C ATOM 470 CG GLU A 30 0.145 8.378 9.030 1.00 73.03 C ATOM 471 CD GLU A 30 -0.053 8.305 10.560 1.00 3.11 C ATOM 472 OE1 GLU A 30 0.769 8.853 11.316 1.00 55.04 O ATOM 473 OE2 GLU A 30 -1.037 7.712 11.017 1.00 21.50 O ATOM 0 H GLU A 30 -2.641 10.281 6.800 1.00 42.15 H new ATOM 0 HA GLU A 30 0.222 10.256 6.937 1.00 44.11 H new ATOM 0 HB2 GLU A 30 -1.320 9.955 8.884 1.00 4.45 H new ATOM 0 HB3 GLU A 30 -1.853 8.424 8.216 1.00 4.45 H new ATOM 0 HG2 GLU A 30 0.239 7.366 8.637 1.00 73.03 H new ATOM 0 HG3 GLU A 30 1.083 8.891 8.819 1.00 73.03 H new ATOM 480 N LEU A 31 -1.204 7.630 5.464 1.00 44.13 N ATOM 481 CA LEU A 31 -0.918 6.446 4.562 1.00 62.04 C ATOM 482 C LEU A 31 -0.435 6.923 3.174 1.00 73.33 C ATOM 483 O LEU A 31 0.587 6.470 2.669 1.00 50.30 O ATOM 484 CB LEU A 31 -2.170 5.484 4.365 1.00 13.44 C ATOM 485 CG LEU A 31 -2.072 4.345 3.220 1.00 75.14 C ATOM 486 CD1 LEU A 31 -1.365 3.029 3.657 1.00 34.13 C ATOM 487 CD2 LEU A 31 -3.462 4.009 2.573 1.00 71.41 C ATOM 0 H LEU A 31 -2.192 7.757 5.685 1.00 44.13 H new ATOM 0 HA LEU A 31 -0.138 5.875 5.065 1.00 62.04 H new ATOM 0 HB2 LEU A 31 -2.364 4.988 5.316 1.00 13.44 H new ATOM 0 HB3 LEU A 31 -3.039 6.105 4.146 1.00 13.44 H new ATOM 0 HG LEU A 31 -1.431 4.808 2.470 1.00 75.14 H new ATOM 0 HD11 LEU A 31 -1.350 2.329 2.821 1.00 34.13 H new ATOM 0 HD12 LEU A 31 -0.343 3.250 3.964 1.00 34.13 H new ATOM 0 HD13 LEU A 31 -1.907 2.585 4.492 1.00 34.13 H new ATOM 0 HD21 LEU A 31 -3.333 3.239 1.813 1.00 71.41 H new ATOM 0 HD22 LEU A 31 -4.144 3.648 3.343 1.00 71.41 H new ATOM 0 HD23 LEU A 31 -3.876 4.907 2.114 1.00 71.41 H new ATOM 499 N ARG A 32 -1.207 7.857 2.600 1.00 21.01 N ATOM 500 CA ARG A 32 -1.050 8.361 1.217 1.00 13.53 C ATOM 501 C ARG A 32 0.279 9.141 1.034 1.00 13.22 C ATOM 502 O ARG A 32 0.843 9.136 -0.063 1.00 74.32 O ATOM 503 CB ARG A 32 -2.291 9.222 0.872 1.00 32.31 C ATOM 504 CG ARG A 32 -2.484 9.695 -0.574 1.00 43.03 C ATOM 505 CD ARG A 32 -3.735 10.590 -0.690 1.00 44.31 C ATOM 506 NE ARG A 32 -3.612 11.786 0.164 1.00 51.02 N ATOM 507 CZ ARG A 32 -4.541 12.736 0.340 1.00 1.53 C ATOM 508 NH1 ARG A 32 -5.722 12.676 -0.268 1.00 32.54 N ATOM 509 NH2 ARG A 32 -4.282 13.750 1.152 1.00 14.12 N ATOM 0 H ARG A 32 -1.982 8.299 3.095 1.00 21.01 H new ATOM 0 HA ARG A 32 -0.991 7.522 0.523 1.00 13.53 H new ATOM 0 HB2 ARG A 32 -3.176 8.652 1.154 1.00 32.31 H new ATOM 0 HB3 ARG A 32 -2.266 10.107 1.508 1.00 32.31 H new ATOM 0 HG2 ARG A 32 -1.603 10.247 -0.902 1.00 43.03 H new ATOM 0 HG3 ARG A 32 -2.584 8.833 -1.234 1.00 43.03 H new ATOM 0 HD2 ARG A 32 -3.875 10.893 -1.728 1.00 44.31 H new ATOM 0 HD3 ARG A 32 -4.620 10.023 -0.402 1.00 44.31 H new ATOM 0 HE ARG A 32 -2.734 11.902 0.670 1.00 51.02 H new ATOM 0 HH11 ARG A 32 -5.939 11.894 -0.886 1.00 32.54 H new ATOM 0 HH12 ARG A 32 -6.411 13.412 -0.117 1.00 32.54 H new ATOM 0 HH21 ARG A 32 -3.385 13.801 1.634 1.00 14.12 H new ATOM 0 HH22 ARG A 32 -4.980 14.480 1.295 1.00 14.12 H new ATOM 523 N SER A 33 0.777 9.787 2.121 1.00 63.00 N ATOM 524 CA SER A 33 2.096 10.463 2.125 1.00 60.14 C ATOM 525 C SER A 33 3.240 9.435 2.076 1.00 12.41 C ATOM 526 O SER A 33 4.217 9.610 1.343 1.00 43.10 O ATOM 527 CB SER A 33 2.249 11.327 3.386 1.00 62.20 C ATOM 528 OG SER A 33 3.482 12.037 3.403 1.00 12.10 O ATOM 0 H SER A 33 0.279 9.852 3.009 1.00 63.00 H new ATOM 0 HA SER A 33 2.149 11.096 1.239 1.00 60.14 H new ATOM 0 HB2 SER A 33 1.423 12.036 3.442 1.00 62.20 H new ATOM 0 HB3 SER A 33 2.185 10.692 4.270 1.00 62.20 H new ATOM 0 HG SER A 33 3.539 12.575 4.220 1.00 12.10 H new ATOM 534 N MET A 34 3.097 8.366 2.883 1.00 51.52 N ATOM 535 CA MET A 34 4.096 7.266 2.964 1.00 10.25 C ATOM 536 C MET A 34 4.105 6.474 1.640 1.00 61.41 C ATOM 537 O MET A 34 5.143 5.948 1.209 1.00 35.24 O ATOM 538 CB MET A 34 3.772 6.308 4.154 1.00 13.45 C ATOM 539 CG MET A 34 3.937 6.903 5.570 1.00 55.34 C ATOM 540 SD MET A 34 2.954 6.022 6.807 1.00 15.11 S ATOM 541 CE MET A 34 3.476 4.331 6.552 1.00 25.13 C ATOM 0 H MET A 34 2.293 8.234 3.497 1.00 51.52 H new ATOM 0 HA MET A 34 5.080 7.703 3.134 1.00 10.25 H new ATOM 0 HB2 MET A 34 2.744 5.961 4.045 1.00 13.45 H new ATOM 0 HB3 MET A 34 4.415 5.431 4.073 1.00 13.45 H new ATOM 0 HG2 MET A 34 4.989 6.870 5.855 1.00 55.34 H new ATOM 0 HG3 MET A 34 3.643 7.953 5.557 1.00 55.34 H new ATOM 0 HE1 MET A 34 2.911 3.672 7.211 1.00 25.13 H new ATOM 0 HE2 MET A 34 3.297 4.047 5.515 1.00 25.13 H new ATOM 0 HE3 MET A 34 4.539 4.241 6.774 1.00 25.13 H new ATOM 551 N LEU A 35 2.922 6.447 0.997 1.00 42.51 N ATOM 552 CA LEU A 35 2.708 5.757 -0.290 1.00 65.13 C ATOM 553 C LEU A 35 3.387 6.589 -1.394 1.00 40.34 C ATOM 554 O LEU A 35 4.039 6.030 -2.272 1.00 24.23 O ATOM 555 CB LEU A 35 1.163 5.539 -0.564 1.00 72.12 C ATOM 556 CG LEU A 35 0.704 4.434 -1.592 1.00 41.24 C ATOM 557 CD1 LEU A 35 -0.790 4.083 -1.398 1.00 13.15 C ATOM 558 CD2 LEU A 35 0.960 4.860 -3.050 1.00 24.21 C ATOM 0 H LEU A 35 2.085 6.905 1.357 1.00 42.51 H new ATOM 0 HA LEU A 35 3.153 4.762 -0.270 1.00 65.13 H new ATOM 0 HB2 LEU A 35 0.691 5.312 0.392 1.00 72.12 H new ATOM 0 HB3 LEU A 35 0.754 6.491 -0.903 1.00 72.12 H new ATOM 0 HG LEU A 35 1.305 3.547 -1.392 1.00 41.24 H new ATOM 0 HD11 LEU A 35 -1.081 3.319 -2.119 1.00 13.15 H new ATOM 0 HD12 LEU A 35 -0.947 3.707 -0.387 1.00 13.15 H new ATOM 0 HD13 LEU A 35 -1.396 4.976 -1.551 1.00 13.15 H new ATOM 0 HD21 LEU A 35 0.629 4.069 -3.723 1.00 24.21 H new ATOM 0 HD22 LEU A 35 0.407 5.774 -3.264 1.00 24.21 H new ATOM 0 HD23 LEU A 35 2.026 5.038 -3.195 1.00 24.21 H new ATOM 570 N ALA A 36 3.252 7.937 -1.293 1.00 3.45 N ATOM 571 CA ALA A 36 3.902 8.894 -2.209 1.00 23.13 C ATOM 572 C ALA A 36 5.434 8.727 -2.189 1.00 32.05 C ATOM 573 O ALA A 36 6.068 8.685 -3.247 1.00 11.43 O ATOM 574 CB ALA A 36 3.520 10.336 -1.851 1.00 74.10 C ATOM 0 H ALA A 36 2.687 8.385 -0.571 1.00 3.45 H new ATOM 0 HA ALA A 36 3.548 8.681 -3.218 1.00 23.13 H new ATOM 0 HB1 ALA A 36 4.011 11.024 -2.539 1.00 74.10 H new ATOM 0 HB2 ALA A 36 2.439 10.456 -1.927 1.00 74.10 H new ATOM 0 HB3 ALA A 36 3.838 10.554 -0.832 1.00 74.10 H new ATOM 580 N THR A 37 6.004 8.625 -0.968 1.00 1.43 N ATOM 581 CA THR A 37 7.441 8.383 -0.766 1.00 24.53 C ATOM 582 C THR A 37 7.862 7.056 -1.436 1.00 3.13 C ATOM 583 O THR A 37 8.879 6.996 -2.144 1.00 52.32 O ATOM 584 CB THR A 37 7.794 8.340 0.760 1.00 2.14 C ATOM 585 OG1 THR A 37 7.245 9.493 1.423 1.00 4.13 O ATOM 586 CG2 THR A 37 9.318 8.293 1.003 1.00 24.42 C ATOM 0 H THR A 37 5.477 8.709 -0.099 1.00 1.43 H new ATOM 0 HA THR A 37 7.987 9.207 -1.226 1.00 24.53 H new ATOM 0 HB THR A 37 7.359 7.427 1.167 1.00 2.14 H new ATOM 0 HG1 THR A 37 6.273 9.394 1.501 1.00 4.13 H new ATOM 0 HG21 THR A 37 9.515 8.264 2.075 1.00 24.42 H new ATOM 0 HG22 THR A 37 9.734 7.402 0.534 1.00 24.42 H new ATOM 0 HG23 THR A 37 9.783 9.180 0.572 1.00 24.42 H new ATOM 594 N ALA A 38 7.036 6.009 -1.230 1.00 51.32 N ATOM 595 CA ALA A 38 7.271 4.673 -1.799 1.00 61.30 C ATOM 596 C ALA A 38 7.132 4.664 -3.346 1.00 73.12 C ATOM 597 O ALA A 38 7.732 3.816 -4.001 1.00 62.51 O ATOM 598 CB ALA A 38 6.343 3.638 -1.135 1.00 42.41 C ATOM 0 H ALA A 38 6.189 6.070 -0.665 1.00 51.32 H new ATOM 0 HA ALA A 38 8.302 4.394 -1.583 1.00 61.30 H new ATOM 0 HB1 ALA A 38 6.528 2.654 -1.566 1.00 42.41 H new ATOM 0 HB2 ALA A 38 6.540 3.608 -0.063 1.00 42.41 H new ATOM 0 HB3 ALA A 38 5.304 3.919 -1.305 1.00 42.41 H new ATOM 604 N LEU A 39 6.364 5.622 -3.929 1.00 11.01 N ATOM 605 CA LEU A 39 6.277 5.780 -5.410 1.00 74.24 C ATOM 606 C LEU A 39 7.579 6.418 -5.949 1.00 10.21 C ATOM 607 O LEU A 39 8.056 6.052 -7.032 1.00 40.03 O ATOM 608 CB LEU A 39 5.057 6.660 -5.853 1.00 71.24 C ATOM 609 CG LEU A 39 3.610 6.220 -5.423 1.00 13.43 C ATOM 610 CD1 LEU A 39 2.575 7.304 -5.784 1.00 33.12 C ATOM 611 CD2 LEU A 39 3.188 4.848 -6.012 1.00 75.21 C ATOM 0 H LEU A 39 5.801 6.291 -3.405 1.00 11.01 H new ATOM 0 HA LEU A 39 6.137 4.782 -5.826 1.00 74.24 H new ATOM 0 HB2 LEU A 39 5.222 7.668 -5.473 1.00 71.24 H new ATOM 0 HB3 LEU A 39 5.073 6.723 -6.941 1.00 71.24 H new ATOM 0 HG LEU A 39 3.638 6.099 -4.340 1.00 13.43 H new ATOM 0 HD11 LEU A 39 1.582 6.976 -5.476 1.00 33.12 H new ATOM 0 HD12 LEU A 39 2.826 8.232 -5.270 1.00 33.12 H new ATOM 0 HD13 LEU A 39 2.584 7.472 -6.861 1.00 33.12 H new ATOM 0 HD21 LEU A 39 2.180 4.603 -5.677 1.00 75.21 H new ATOM 0 HD22 LEU A 39 3.207 4.898 -7.101 1.00 75.21 H new ATOM 0 HD23 LEU A 39 3.880 4.078 -5.672 1.00 75.21 H new ATOM 623 N GLU A 40 8.128 7.381 -5.173 1.00 51.23 N ATOM 624 CA GLU A 40 9.390 8.094 -5.507 1.00 65.50 C ATOM 625 C GLU A 40 10.602 7.161 -5.382 1.00 33.40 C ATOM 626 O GLU A 40 11.626 7.362 -6.044 1.00 21.35 O ATOM 627 CB GLU A 40 9.556 9.347 -4.601 1.00 31.33 C ATOM 628 CG GLU A 40 8.456 10.402 -4.803 1.00 21.32 C ATOM 629 CD GLU A 40 8.553 11.570 -3.815 1.00 63.13 C ATOM 630 OE1 GLU A 40 9.376 12.484 -4.033 1.00 52.32 O ATOM 631 OE2 GLU A 40 7.822 11.573 -2.799 1.00 5.11 O ATOM 0 H GLU A 40 7.710 7.689 -4.295 1.00 51.23 H new ATOM 0 HA GLU A 40 9.334 8.423 -6.545 1.00 65.50 H new ATOM 0 HB2 GLU A 40 9.559 9.033 -3.557 1.00 31.33 H new ATOM 0 HB3 GLU A 40 10.526 9.803 -4.800 1.00 31.33 H new ATOM 0 HG2 GLU A 40 8.515 10.789 -5.820 1.00 21.32 H new ATOM 0 HG3 GLU A 40 7.481 9.926 -4.699 1.00 21.32 H new ATOM 638 N LYS A 41 10.468 6.144 -4.521 1.00 13.30 N ATOM 639 CA LYS A 41 11.434 5.053 -4.403 1.00 0.54 C ATOM 640 C LYS A 41 11.101 3.972 -5.443 1.00 24.22 C ATOM 641 O LYS A 41 9.928 3.779 -5.784 1.00 11.23 O ATOM 642 CB LYS A 41 11.395 4.476 -2.971 1.00 34.51 C ATOM 643 CG LYS A 41 11.803 5.474 -1.860 1.00 24.22 C ATOM 644 CD LYS A 41 13.282 5.978 -2.056 1.00 34.20 C ATOM 645 CE LYS A 41 13.869 6.956 -0.985 1.00 54.33 C ATOM 646 NZ LYS A 41 15.266 7.341 -1.326 1.00 72.12 N ATOM 0 H LYS A 41 9.677 6.058 -3.882 1.00 13.30 H new ATOM 0 HA LYS A 41 12.442 5.422 -4.592 1.00 0.54 H new ATOM 0 HB2 LYS A 41 10.386 4.117 -2.766 1.00 34.51 H new ATOM 0 HB3 LYS A 41 12.057 3.611 -2.924 1.00 34.51 H new ATOM 0 HG2 LYS A 41 11.123 6.326 -1.866 1.00 24.22 H new ATOM 0 HG3 LYS A 41 11.706 4.996 -0.885 1.00 24.22 H new ATOM 0 HD2 LYS A 41 13.930 5.103 -2.101 1.00 34.20 H new ATOM 0 HD3 LYS A 41 13.342 6.470 -3.027 1.00 34.20 H new ATOM 0 HE2 LYS A 41 13.247 7.849 -0.922 1.00 54.33 H new ATOM 0 HE3 LYS A 41 13.847 6.482 -0.004 1.00 54.33 H new ATOM 0 HZ1 LYS A 41 15.634 7.990 -0.601 1.00 72.12 H new ATOM 0 HZ2 LYS A 41 15.862 6.489 -1.363 1.00 72.12 H new ATOM 0 HZ3 LYS A 41 15.280 7.813 -2.253 1.00 72.12 H new ATOM 660 N ASP A 42 12.131 3.285 -5.960 1.00 22.22 N ATOM 661 CA ASP A 42 11.956 2.267 -7.008 1.00 63.50 C ATOM 662 C ASP A 42 11.392 0.971 -6.393 1.00 15.31 C ATOM 663 O ASP A 42 12.141 0.132 -5.883 1.00 62.42 O ATOM 664 CB ASP A 42 13.294 1.992 -7.754 1.00 31.51 C ATOM 665 CG ASP A 42 13.135 0.944 -8.878 1.00 2.50 C ATOM 666 OD1 ASP A 42 12.460 1.238 -9.889 1.00 55.12 O ATOM 667 OD2 ASP A 42 13.684 -0.174 -8.768 1.00 65.11 O ATOM 0 H ASP A 42 13.099 3.417 -5.667 1.00 22.22 H new ATOM 0 HA ASP A 42 11.244 2.645 -7.742 1.00 63.50 H new ATOM 0 HB2 ASP A 42 13.668 2.923 -8.179 1.00 31.51 H new ATOM 0 HB3 ASP A 42 14.041 1.645 -7.040 1.00 31.51 H new ATOM 672 N ILE A 43 10.059 0.873 -6.373 1.00 10.43 N ATOM 673 CA ILE A 43 9.328 -0.320 -5.922 1.00 53.22 C ATOM 674 C ILE A 43 9.111 -1.276 -7.105 1.00 40.33 C ATOM 675 O ILE A 43 8.892 -0.835 -8.242 1.00 54.12 O ATOM 676 CB ILE A 43 7.964 0.068 -5.217 1.00 44.44 C ATOM 677 CG1 ILE A 43 7.077 0.984 -6.121 1.00 5.00 C ATOM 678 CG2 ILE A 43 8.248 0.717 -3.838 1.00 72.11 C ATOM 679 CD1 ILE A 43 5.783 1.453 -5.477 1.00 62.23 C ATOM 0 H ILE A 43 9.446 1.631 -6.674 1.00 10.43 H new ATOM 0 HA ILE A 43 9.928 -0.836 -5.172 1.00 53.22 H new ATOM 0 HB ILE A 43 7.391 -0.845 -5.056 1.00 44.44 H new ATOM 0 HG12 ILE A 43 7.660 1.858 -6.411 1.00 5.00 H new ATOM 0 HG13 ILE A 43 6.836 0.443 -7.036 1.00 5.00 H new ATOM 0 HG21 ILE A 43 7.305 0.981 -3.359 1.00 72.11 H new ATOM 0 HG22 ILE A 43 8.790 0.011 -3.208 1.00 72.11 H new ATOM 0 HG23 ILE A 43 8.849 1.616 -3.976 1.00 72.11 H new ATOM 0 HD11 ILE A 43 5.235 2.082 -6.178 1.00 62.23 H new ATOM 0 HD12 ILE A 43 5.174 0.589 -5.212 1.00 62.23 H new ATOM 0 HD13 ILE A 43 6.011 2.025 -4.578 1.00 62.23 H new ATOM 691 N SER A 44 9.199 -2.588 -6.813 1.00 15.15 N ATOM 692 CA SER A 44 9.139 -3.681 -7.820 1.00 10.11 C ATOM 693 C SER A 44 7.759 -3.676 -8.526 1.00 12.13 C ATOM 694 O SER A 44 6.793 -3.208 -7.936 1.00 22.32 O ATOM 695 CB SER A 44 9.431 -5.043 -7.109 1.00 63.24 C ATOM 696 OG SER A 44 10.602 -4.964 -6.324 1.00 63.52 O ATOM 0 H SER A 44 9.316 -2.930 -5.859 1.00 15.15 H new ATOM 0 HA SER A 44 9.895 -3.530 -8.591 1.00 10.11 H new ATOM 0 HB2 SER A 44 8.585 -5.317 -6.479 1.00 63.24 H new ATOM 0 HB3 SER A 44 9.541 -5.830 -7.855 1.00 63.24 H new ATOM 0 HG SER A 44 10.763 -5.827 -5.888 1.00 63.52 H new ATOM 702 N GLN A 45 7.690 -4.160 -9.793 1.00 64.10 N ATOM 703 CA GLN A 45 6.464 -4.132 -10.631 1.00 73.11 C ATOM 704 C GLN A 45 5.164 -4.580 -9.880 1.00 2.21 C ATOM 705 O GLN A 45 4.126 -3.941 -10.029 1.00 63.05 O ATOM 706 CB GLN A 45 6.689 -4.987 -11.922 1.00 61.11 C ATOM 707 CG GLN A 45 5.536 -4.939 -12.953 1.00 35.11 C ATOM 708 CD GLN A 45 5.772 -5.844 -14.165 1.00 13.21 C ATOM 709 OE1 GLN A 45 6.327 -5.419 -15.182 1.00 32.01 O ATOM 710 NE2 GLN A 45 5.367 -7.102 -14.054 1.00 31.23 N ATOM 0 H GLN A 45 8.489 -4.583 -10.264 1.00 64.10 H new ATOM 0 HA GLN A 45 6.293 -3.089 -10.899 1.00 73.11 H new ATOM 0 HB2 GLN A 45 7.604 -4.648 -12.408 1.00 61.11 H new ATOM 0 HB3 GLN A 45 6.849 -6.024 -11.628 1.00 61.11 H new ATOM 0 HG2 GLN A 45 4.607 -5.233 -12.464 1.00 35.11 H new ATOM 0 HG3 GLN A 45 5.405 -3.912 -13.295 1.00 35.11 H new ATOM 0 HE21 GLN A 45 4.912 -7.418 -13.198 1.00 31.23 H new ATOM 0 HE22 GLN A 45 5.511 -7.754 -14.825 1.00 31.23 H new ATOM 719 N GLU A 46 5.257 -5.633 -9.031 1.00 55.03 N ATOM 720 CA GLU A 46 4.081 -6.216 -8.316 1.00 13.02 C ATOM 721 C GLU A 46 3.706 -5.382 -7.065 1.00 51.13 C ATOM 722 O GLU A 46 2.561 -5.403 -6.598 1.00 12.22 O ATOM 723 CB GLU A 46 4.361 -7.696 -7.901 1.00 61.23 C ATOM 724 CG GLU A 46 4.490 -8.714 -9.061 1.00 70.13 C ATOM 725 CD GLU A 46 5.682 -8.459 -9.992 1.00 60.23 C ATOM 726 OE1 GLU A 46 6.836 -8.596 -9.536 1.00 44.32 O ATOM 727 OE2 GLU A 46 5.477 -8.112 -11.176 1.00 32.01 O ATOM 0 H GLU A 46 6.138 -6.102 -8.820 1.00 55.03 H new ATOM 0 HA GLU A 46 3.239 -6.194 -9.008 1.00 13.02 H new ATOM 0 HB2 GLU A 46 5.282 -7.721 -7.318 1.00 61.23 H new ATOM 0 HB3 GLU A 46 3.558 -8.026 -7.242 1.00 61.23 H new ATOM 0 HG2 GLU A 46 4.579 -9.716 -8.642 1.00 70.13 H new ATOM 0 HG3 GLU A 46 3.573 -8.695 -9.650 1.00 70.13 H new ATOM 734 N GLU A 47 4.689 -4.636 -6.563 1.00 14.41 N ATOM 735 CA GLU A 47 4.572 -3.796 -5.356 1.00 2.24 C ATOM 736 C GLU A 47 3.976 -2.436 -5.773 1.00 11.12 C ATOM 737 O GLU A 47 3.127 -1.864 -5.077 1.00 21.33 O ATOM 738 CB GLU A 47 5.997 -3.646 -4.714 1.00 23.13 C ATOM 739 CG GLU A 47 6.112 -2.848 -3.392 1.00 61.24 C ATOM 740 CD GLU A 47 7.538 -2.899 -2.788 1.00 2.10 C ATOM 741 OE1 GLU A 47 7.691 -3.158 -1.569 1.00 61.41 O ATOM 742 OE2 GLU A 47 8.520 -2.735 -3.549 1.00 43.44 O ATOM 0 H GLU A 47 5.615 -4.593 -6.990 1.00 14.41 H new ATOM 0 HA GLU A 47 3.914 -4.243 -4.611 1.00 2.24 H new ATOM 0 HB2 GLU A 47 6.392 -4.646 -4.537 1.00 23.13 H new ATOM 0 HB3 GLU A 47 6.648 -3.172 -5.449 1.00 23.13 H new ATOM 0 HG2 GLU A 47 5.835 -1.809 -3.573 1.00 61.24 H new ATOM 0 HG3 GLU A 47 5.400 -3.246 -2.669 1.00 61.24 H new ATOM 749 N ARG A 48 4.416 -1.971 -6.967 1.00 60.44 N ATOM 750 CA ARG A 48 3.878 -0.790 -7.644 1.00 75.34 C ATOM 751 C ARG A 48 2.431 -1.051 -8.054 1.00 2.23 C ATOM 752 O ARG A 48 1.588 -0.177 -7.921 1.00 2.41 O ATOM 753 CB ARG A 48 4.738 -0.420 -8.878 1.00 35.45 C ATOM 754 CG ARG A 48 4.326 0.912 -9.549 1.00 10.13 C ATOM 755 CD ARG A 48 5.199 1.277 -10.754 1.00 25.13 C ATOM 756 NE ARG A 48 6.614 1.479 -10.373 1.00 21.11 N ATOM 757 CZ ARG A 48 7.672 0.920 -10.988 1.00 41.11 C ATOM 758 NH1 ARG A 48 7.513 0.103 -12.029 1.00 41.30 N ATOM 759 NH2 ARG A 48 8.898 1.192 -10.555 1.00 74.30 N ATOM 0 H ARG A 48 5.169 -2.422 -7.487 1.00 60.44 H new ATOM 0 HA ARG A 48 3.907 0.054 -6.955 1.00 75.34 H new ATOM 0 HB2 ARG A 48 5.783 -0.355 -8.575 1.00 35.45 H new ATOM 0 HB3 ARG A 48 4.668 -1.223 -9.612 1.00 35.45 H new ATOM 0 HG2 ARG A 48 3.286 0.843 -9.869 1.00 10.13 H new ATOM 0 HG3 ARG A 48 4.381 1.714 -8.813 1.00 10.13 H new ATOM 0 HD2 ARG A 48 5.134 0.486 -11.501 1.00 25.13 H new ATOM 0 HD3 ARG A 48 4.815 2.186 -11.218 1.00 25.13 H new ATOM 0 HE ARG A 48 6.803 2.092 -9.580 1.00 21.11 H new ATOM 0 HH11 ARG A 48 6.576 -0.108 -12.373 1.00 41.30 H new ATOM 0 HH12 ARG A 48 8.328 -0.311 -12.482 1.00 41.30 H new ATOM 0 HH21 ARG A 48 9.031 1.820 -9.762 1.00 74.30 H new ATOM 0 HH22 ARG A 48 9.706 0.773 -11.015 1.00 74.30 H new ATOM 773 N ASN A 49 2.174 -2.292 -8.521 1.00 3.12 N ATOM 774 CA ASN A 49 0.828 -2.762 -8.888 1.00 61.21 C ATOM 775 C ASN A 49 -0.121 -2.630 -7.680 1.00 11.44 C ATOM 776 O ASN A 49 -1.189 -2.034 -7.801 1.00 72.31 O ATOM 777 CB ASN A 49 0.899 -4.229 -9.401 1.00 34.23 C ATOM 778 CG ASN A 49 -0.381 -4.728 -10.092 1.00 3.11 C ATOM 779 OD1 ASN A 49 -1.496 -4.352 -9.739 1.00 21.11 O ATOM 780 ND2 ASN A 49 -0.223 -5.567 -11.103 1.00 1.31 N ATOM 0 H ASN A 49 2.900 -2.996 -8.653 1.00 3.12 H new ATOM 0 HA ASN A 49 0.433 -2.145 -9.695 1.00 61.21 H new ATOM 0 HB2 ASN A 49 1.731 -4.316 -10.100 1.00 34.23 H new ATOM 0 HB3 ASN A 49 1.121 -4.884 -8.559 1.00 34.23 H new ATOM 0 HD21 ASN A 49 -1.038 -5.916 -11.608 1.00 1.31 H new ATOM 0 HD22 ASN A 49 0.713 -5.865 -11.377 1.00 1.31 H new ATOM 787 N ALA A 50 0.332 -3.135 -6.511 1.00 30.24 N ATOM 788 CA ALA A 50 -0.446 -3.118 -5.254 1.00 44.43 C ATOM 789 C ALA A 50 -0.799 -1.677 -4.801 1.00 51.23 C ATOM 790 O ALA A 50 -1.966 -1.380 -4.508 1.00 50.53 O ATOM 791 CB ALA A 50 0.324 -3.856 -4.144 1.00 13.22 C ATOM 0 H ALA A 50 1.251 -3.567 -6.413 1.00 30.24 H new ATOM 0 HA ALA A 50 -1.387 -3.634 -5.446 1.00 44.43 H new ATOM 0 HB1 ALA A 50 -0.258 -3.837 -3.223 1.00 13.22 H new ATOM 0 HB2 ALA A 50 0.494 -4.890 -4.445 1.00 13.22 H new ATOM 0 HB3 ALA A 50 1.282 -3.364 -3.977 1.00 13.22 H new ATOM 797 N LEU A 51 0.217 -0.782 -4.748 1.00 44.12 N ATOM 798 CA LEU A 51 0.019 0.619 -4.286 1.00 15.15 C ATOM 799 C LEU A 51 -0.733 1.482 -5.344 1.00 25.22 C ATOM 800 O LEU A 51 -1.379 2.485 -4.984 1.00 63.20 O ATOM 801 CB LEU A 51 1.375 1.290 -3.881 1.00 35.11 C ATOM 802 CG LEU A 51 2.285 0.572 -2.805 1.00 14.22 C ATOM 803 CD1 LEU A 51 3.547 1.406 -2.487 1.00 42.32 C ATOM 804 CD2 LEU A 51 1.543 0.249 -1.486 1.00 13.23 C ATOM 0 H LEU A 51 1.176 -1.000 -5.017 1.00 44.12 H new ATOM 0 HA LEU A 51 -0.609 0.569 -3.397 1.00 15.15 H new ATOM 0 HB2 LEU A 51 1.968 1.411 -4.788 1.00 35.11 H new ATOM 0 HB3 LEU A 51 1.151 2.290 -3.510 1.00 35.11 H new ATOM 0 HG LEU A 51 2.573 -0.375 -3.261 1.00 14.22 H new ATOM 0 HD11 LEU A 51 4.150 0.884 -1.744 1.00 42.32 H new ATOM 0 HD12 LEU A 51 4.131 1.544 -3.397 1.00 42.32 H new ATOM 0 HD13 LEU A 51 3.251 2.379 -2.095 1.00 42.32 H new ATOM 0 HD21 LEU A 51 2.227 -0.242 -0.794 1.00 13.23 H new ATOM 0 HD22 LEU A 51 1.177 1.173 -1.039 1.00 13.23 H new ATOM 0 HD23 LEU A 51 0.701 -0.412 -1.694 1.00 13.23 H new ATOM 816 N ASN A 52 -0.659 1.083 -6.633 1.00 21.31 N ATOM 817 CA ASN A 52 -1.467 1.695 -7.714 1.00 12.35 C ATOM 818 C ASN A 52 -2.945 1.301 -7.552 1.00 20.12 C ATOM 819 O ASN A 52 -3.824 2.151 -7.684 1.00 34.34 O ATOM 820 CB ASN A 52 -0.960 1.327 -9.143 1.00 14.12 C ATOM 821 CG ASN A 52 0.242 2.153 -9.606 1.00 72.22 C ATOM 822 OD1 ASN A 52 1.112 2.519 -8.813 1.00 11.43 O ATOM 823 ND2 ASN A 52 0.279 2.476 -10.893 1.00 61.33 N ATOM 0 H ASN A 52 -0.044 0.335 -6.953 1.00 21.31 H new ATOM 0 HA ASN A 52 -1.359 2.775 -7.617 1.00 12.35 H new ATOM 0 HB2 ASN A 52 -0.692 0.271 -9.162 1.00 14.12 H new ATOM 0 HB3 ASN A 52 -1.776 1.461 -9.853 1.00 14.12 H new ATOM 0 HD21 ASN A 52 1.045 3.045 -11.254 1.00 61.33 H new ATOM 0 HD22 ASN A 52 -0.458 2.155 -11.521 1.00 61.33 H new ATOM 830 N ILE A 53 -3.196 0.004 -7.235 1.00 52.42 N ATOM 831 CA ILE A 53 -4.556 -0.522 -6.955 1.00 33.51 C ATOM 832 C ILE A 53 -5.153 0.257 -5.769 1.00 61.42 C ATOM 833 O ILE A 53 -6.316 0.650 -5.804 1.00 74.43 O ATOM 834 CB ILE A 53 -4.558 -2.078 -6.630 1.00 4.24 C ATOM 835 CG1 ILE A 53 -4.197 -2.926 -7.893 1.00 24.24 C ATOM 836 CG2 ILE A 53 -5.907 -2.555 -6.017 1.00 12.11 C ATOM 837 CD1 ILE A 53 -4.052 -4.417 -7.639 1.00 62.02 C ATOM 0 H ILE A 53 -2.464 -0.703 -7.167 1.00 52.42 H new ATOM 0 HA ILE A 53 -5.158 -0.386 -7.853 1.00 33.51 H new ATOM 0 HB ILE A 53 -3.786 -2.236 -5.877 1.00 4.24 H new ATOM 0 HG12 ILE A 53 -4.968 -2.774 -8.648 1.00 24.24 H new ATOM 0 HG13 ILE A 53 -3.263 -2.550 -8.311 1.00 24.24 H new ATOM 0 HG21 ILE A 53 -5.856 -3.625 -5.813 1.00 12.11 H new ATOM 0 HG22 ILE A 53 -6.095 -2.017 -5.088 1.00 12.11 H new ATOM 0 HG23 ILE A 53 -6.716 -2.358 -6.720 1.00 12.11 H new ATOM 0 HD11 ILE A 53 -3.801 -4.922 -8.572 1.00 62.02 H new ATOM 0 HD12 ILE A 53 -3.260 -4.587 -6.910 1.00 62.02 H new ATOM 0 HD13 ILE A 53 -4.991 -4.813 -7.253 1.00 62.02 H new ATOM 849 N ALA A 54 -4.289 0.520 -4.770 1.00 41.21 N ATOM 850 CA ALA A 54 -4.648 1.240 -3.539 1.00 22.12 C ATOM 851 C ALA A 54 -5.153 2.653 -3.864 1.00 23.31 C ATOM 852 O ALA A 54 -6.309 2.971 -3.582 1.00 4.45 O ATOM 853 CB ALA A 54 -3.446 1.289 -2.583 1.00 60.41 C ATOM 0 H ALA A 54 -3.310 0.234 -4.798 1.00 41.21 H new ATOM 0 HA ALA A 54 -5.457 0.703 -3.044 1.00 22.12 H new ATOM 0 HB1 ALA A 54 -3.725 1.825 -1.675 1.00 60.41 H new ATOM 0 HB2 ALA A 54 -3.143 0.274 -2.327 1.00 60.41 H new ATOM 0 HB3 ALA A 54 -2.616 1.804 -3.068 1.00 60.41 H new ATOM 859 N GLU A 55 -4.294 3.446 -4.548 1.00 62.03 N ATOM 860 CA GLU A 55 -4.549 4.876 -4.808 1.00 33.22 C ATOM 861 C GLU A 55 -5.754 5.062 -5.743 1.00 15.53 C ATOM 862 O GLU A 55 -6.651 5.862 -5.446 1.00 13.03 O ATOM 863 CB GLU A 55 -3.277 5.567 -5.370 1.00 62.32 C ATOM 864 CG GLU A 55 -3.458 7.049 -5.756 1.00 51.43 C ATOM 865 CD GLU A 55 -2.166 7.686 -6.279 1.00 12.14 C ATOM 866 OE1 GLU A 55 -1.911 7.622 -7.501 1.00 12.45 O ATOM 867 OE2 GLU A 55 -1.393 8.254 -5.479 1.00 73.25 O ATOM 0 H GLU A 55 -3.410 3.111 -4.932 1.00 62.03 H new ATOM 0 HA GLU A 55 -4.797 5.356 -3.861 1.00 33.22 H new ATOM 0 HB2 GLU A 55 -2.484 5.495 -4.626 1.00 62.32 H new ATOM 0 HB3 GLU A 55 -2.941 5.017 -6.249 1.00 62.32 H new ATOM 0 HG2 GLU A 55 -4.233 7.130 -6.519 1.00 51.43 H new ATOM 0 HG3 GLU A 55 -3.807 7.607 -4.887 1.00 51.43 H new ATOM 874 N LYS A 56 -5.793 4.281 -6.838 1.00 71.32 N ATOM 875 CA LYS A 56 -6.857 4.390 -7.855 1.00 23.14 C ATOM 876 C LYS A 56 -8.230 3.988 -7.270 1.00 63.34 C ATOM 877 O LYS A 56 -9.278 4.486 -7.706 1.00 11.40 O ATOM 878 CB LYS A 56 -6.528 3.580 -9.142 1.00 3.42 C ATOM 879 CG LYS A 56 -6.707 2.042 -9.064 1.00 51.31 C ATOM 880 CD LYS A 56 -6.384 1.301 -10.392 1.00 2.15 C ATOM 881 CE LYS A 56 -4.880 1.202 -10.732 1.00 4.40 C ATOM 882 NZ LYS A 56 -4.229 2.523 -10.963 1.00 64.14 N ATOM 0 H LYS A 56 -5.097 3.564 -7.042 1.00 71.32 H new ATOM 0 HA LYS A 56 -6.911 5.438 -8.150 1.00 23.14 H new ATOM 0 HB2 LYS A 56 -7.157 3.955 -9.950 1.00 3.42 H new ATOM 0 HB3 LYS A 56 -5.495 3.788 -9.420 1.00 3.42 H new ATOM 0 HG2 LYS A 56 -6.064 1.651 -8.276 1.00 51.31 H new ATOM 0 HG3 LYS A 56 -7.735 1.820 -8.776 1.00 51.31 H new ATOM 0 HD2 LYS A 56 -6.797 0.294 -10.339 1.00 2.15 H new ATOM 0 HD3 LYS A 56 -6.894 1.811 -11.209 1.00 2.15 H new ATOM 0 HE2 LYS A 56 -4.366 0.691 -9.918 1.00 4.40 H new ATOM 0 HE3 LYS A 56 -4.758 0.586 -11.623 1.00 4.40 H new ATOM 0 HZ1 LYS A 56 -3.481 2.421 -11.678 1.00 64.14 H new ATOM 0 HZ2 LYS A 56 -4.938 3.205 -11.299 1.00 64.14 H new ATOM 0 HZ3 LYS A 56 -3.813 2.866 -10.073 1.00 64.14 H new ATOM 896 N ALA A 57 -8.198 3.105 -6.259 1.00 5.04 N ATOM 897 CA ALA A 57 -9.397 2.658 -5.547 1.00 73.14 C ATOM 898 C ALA A 57 -9.827 3.698 -4.495 1.00 73.02 C ATOM 899 O ALA A 57 -11.022 3.791 -4.186 1.00 24.24 O ATOM 900 CB ALA A 57 -9.152 1.294 -4.904 1.00 12.23 C ATOM 0 H ALA A 57 -7.336 2.682 -5.915 1.00 5.04 H new ATOM 0 HA ALA A 57 -10.211 2.556 -6.265 1.00 73.14 H new ATOM 0 HB1 ALA A 57 -10.051 0.973 -4.378 1.00 12.23 H new ATOM 0 HB2 ALA A 57 -8.905 0.566 -5.677 1.00 12.23 H new ATOM 0 HB3 ALA A 57 -8.325 1.368 -4.198 1.00 12.23 H new ATOM 906 N LEU A 58 -8.844 4.471 -3.933 1.00 41.53 N ATOM 907 CA LEU A 58 -9.159 5.627 -3.051 1.00 11.31 C ATOM 908 C LEU A 58 -9.969 6.653 -3.869 1.00 72.43 C ATOM 909 O LEU A 58 -10.918 7.233 -3.356 1.00 5.54 O ATOM 910 CB LEU A 58 -7.891 6.361 -2.448 1.00 40.50 C ATOM 911 CG LEU A 58 -6.707 5.518 -1.745 1.00 71.24 C ATOM 912 CD1 LEU A 58 -5.550 6.408 -1.177 1.00 55.44 C ATOM 913 CD2 LEU A 58 -7.157 4.514 -0.632 1.00 3.33 C ATOM 0 H LEU A 58 -7.847 4.313 -4.076 1.00 41.53 H new ATOM 0 HA LEU A 58 -9.715 5.226 -2.203 1.00 11.31 H new ATOM 0 HB2 LEU A 58 -7.439 6.936 -3.256 1.00 40.50 H new ATOM 0 HB3 LEU A 58 -8.255 7.078 -1.712 1.00 40.50 H new ATOM 0 HG LEU A 58 -6.336 4.928 -2.584 1.00 71.24 H new ATOM 0 HD11 LEU A 58 -4.792 5.772 -0.720 1.00 55.44 H new ATOM 0 HD12 LEU A 58 -5.101 6.982 -1.988 1.00 55.44 H new ATOM 0 HD13 LEU A 58 -5.950 7.090 -0.427 1.00 55.44 H new ATOM 0 HD21 LEU A 58 -6.283 4.002 -0.229 1.00 3.33 H new ATOM 0 HD22 LEU A 58 -7.660 5.058 0.167 1.00 3.33 H new ATOM 0 HD23 LEU A 58 -7.842 3.781 -1.058 1.00 3.33 H new ATOM 925 N ASP A 59 -9.571 6.859 -5.155 1.00 4.03 N ATOM 926 CA ASP A 59 -10.303 7.755 -6.091 1.00 71.04 C ATOM 927 C ASP A 59 -11.778 7.332 -6.237 1.00 30.13 C ATOM 928 O ASP A 59 -12.678 8.177 -6.172 1.00 51.43 O ATOM 929 CB ASP A 59 -9.641 7.800 -7.495 1.00 11.10 C ATOM 930 CG ASP A 59 -8.227 8.422 -7.489 1.00 64.10 C ATOM 931 OD1 ASP A 59 -8.109 9.653 -7.447 1.00 53.43 O ATOM 932 OD2 ASP A 59 -7.229 7.696 -7.554 1.00 41.12 O ATOM 0 H ASP A 59 -8.748 6.417 -5.565 1.00 4.03 H new ATOM 0 HA ASP A 59 -10.257 8.753 -5.655 1.00 71.04 H new ATOM 0 HB2 ASP A 59 -9.582 6.787 -7.893 1.00 11.10 H new ATOM 0 HB3 ASP A 59 -10.278 8.371 -8.170 1.00 11.10 H new ATOM 937 N ASN A 60 -12.020 6.019 -6.414 1.00 53.52 N ATOM 938 CA ASN A 60 -13.392 5.474 -6.542 1.00 34.21 C ATOM 939 C ASN A 60 -14.084 5.363 -5.160 1.00 31.52 C ATOM 940 O ASN A 60 -15.308 5.222 -5.094 1.00 43.11 O ATOM 941 CB ASN A 60 -13.400 4.104 -7.296 1.00 11.31 C ATOM 942 CG ASN A 60 -12.957 4.210 -8.757 1.00 23.10 C ATOM 943 OD1 ASN A 60 -12.129 5.048 -9.117 1.00 62.40 O ATOM 944 ND2 ASN A 60 -13.514 3.371 -9.617 1.00 71.34 N ATOM 0 H ASN A 60 -11.286 5.313 -6.472 1.00 53.52 H new ATOM 0 HA ASN A 60 -13.967 6.178 -7.144 1.00 34.21 H new ATOM 0 HB2 ASN A 60 -12.743 3.407 -6.775 1.00 11.31 H new ATOM 0 HB3 ASN A 60 -14.405 3.683 -7.259 1.00 11.31 H new ATOM 0 HD21 ASN A 60 -13.260 3.409 -10.604 1.00 71.34 H new ATOM 0 HD22 ASN A 60 -14.197 2.687 -9.292 1.00 71.34 H new ATOM 951 N SER A 61 -13.280 5.457 -4.066 1.00 34.42 N ATOM 952 CA SER A 61 -13.773 5.556 -2.673 1.00 43.42 C ATOM 953 C SER A 61 -14.745 4.422 -2.285 1.00 52.22 C ATOM 954 O SER A 61 -15.796 4.682 -1.680 1.00 23.14 O ATOM 955 CB SER A 61 -14.433 6.944 -2.475 1.00 75.25 C ATOM 956 OG SER A 61 -13.577 7.981 -2.914 1.00 75.12 O ATOM 0 H SER A 61 -12.262 5.466 -4.132 1.00 34.42 H new ATOM 0 HA SER A 61 -12.917 5.445 -2.008 1.00 43.42 H new ATOM 0 HB2 SER A 61 -15.372 6.986 -3.026 1.00 75.25 H new ATOM 0 HB3 SER A 61 -14.675 7.089 -1.422 1.00 75.25 H new ATOM 0 HG SER A 61 -12.665 7.634 -3.009 1.00 75.12 H new ATOM 962 N GLU A 62 -14.380 3.172 -2.599 1.00 53.05 N ATOM 963 CA GLU A 62 -15.274 2.015 -2.398 1.00 44.55 C ATOM 964 C GLU A 62 -15.506 1.715 -0.895 1.00 74.31 C ATOM 965 O GLU A 62 -16.637 1.891 -0.426 1.00 14.22 O ATOM 966 CB GLU A 62 -14.791 0.782 -3.222 1.00 34.34 C ATOM 967 CG GLU A 62 -14.852 0.997 -4.753 1.00 4.12 C ATOM 968 CD GLU A 62 -16.262 1.356 -5.266 1.00 73.04 C ATOM 969 OE1 GLU A 62 -17.124 0.455 -5.366 1.00 21.02 O ATOM 970 OE2 GLU A 62 -16.523 2.542 -5.565 1.00 64.15 O ATOM 0 H GLU A 62 -13.471 2.932 -2.994 1.00 53.05 H new ATOM 0 HA GLU A 62 -16.258 2.272 -2.790 1.00 44.55 H new ATOM 0 HB2 GLU A 62 -13.766 0.545 -2.938 1.00 34.34 H new ATOM 0 HB3 GLU A 62 -15.403 -0.081 -2.960 1.00 34.34 H new ATOM 0 HG2 GLU A 62 -14.160 1.793 -5.028 1.00 4.12 H new ATOM 0 HG3 GLU A 62 -14.511 0.091 -5.254 1.00 4.12 H new ATOM 977 N TYR A 63 -14.442 1.327 -0.138 1.00 24.32 N ATOM 978 CA TYR A 63 -14.506 1.081 1.326 1.00 54.44 C ATOM 979 C TYR A 63 -13.085 1.112 1.934 1.00 51.03 C ATOM 980 O TYR A 63 -12.104 0.622 1.328 1.00 44.21 O ATOM 981 CB TYR A 63 -15.185 -0.276 1.694 1.00 71.25 C ATOM 982 CG TYR A 63 -16.709 -0.342 1.523 1.00 34.44 C ATOM 983 CD1 TYR A 63 -17.559 0.337 2.400 1.00 53.33 C ATOM 984 CD2 TYR A 63 -17.300 -1.083 0.494 1.00 33.15 C ATOM 985 CE1 TYR A 63 -18.929 0.275 2.258 1.00 13.53 C ATOM 986 CE2 TYR A 63 -18.671 -1.139 0.350 1.00 14.43 C ATOM 987 CZ TYR A 63 -19.478 -0.464 1.233 1.00 75.41 C ATOM 988 OH TYR A 63 -20.848 -0.532 1.091 1.00 32.53 O ATOM 0 H TYR A 63 -13.513 1.176 -0.531 1.00 24.32 H new ATOM 0 HA TYR A 63 -15.122 1.879 1.742 1.00 54.44 H new ATOM 0 HB2 TYR A 63 -14.738 -1.059 1.082 1.00 71.25 H new ATOM 0 HB3 TYR A 63 -14.947 -0.507 2.732 1.00 71.25 H new ATOM 0 HD1 TYR A 63 -17.135 0.921 3.204 1.00 53.33 H new ATOM 0 HD2 TYR A 63 -16.672 -1.621 -0.200 1.00 33.15 H new ATOM 0 HE1 TYR A 63 -19.570 0.804 2.948 1.00 13.53 H new ATOM 0 HE2 TYR A 63 -19.108 -1.712 -0.454 1.00 14.43 H new ATOM 0 HH TYR A 63 -21.069 -1.093 0.318 1.00 32.53 H new ATOM 998 N LEU A 64 -13.020 1.572 3.193 1.00 32.12 N ATOM 999 CA LEU A 64 -11.722 1.817 3.904 1.00 71.31 C ATOM 1000 C LEU A 64 -11.081 0.469 4.337 1.00 13.24 C ATOM 1001 O LEU A 64 -9.928 0.194 3.941 1.00 42.51 O ATOM 1002 CB LEU A 64 -11.805 2.855 5.121 1.00 65.01 C ATOM 1003 CG LEU A 64 -11.350 4.375 4.964 1.00 55.21 C ATOM 1004 CD1 LEU A 64 -9.807 4.499 4.862 1.00 54.11 C ATOM 1005 CD2 LEU A 64 -12.063 5.187 3.843 1.00 74.30 C ATOM 0 H LEU A 64 -13.844 1.787 3.754 1.00 32.12 H new ATOM 0 HA LEU A 64 -11.074 2.309 3.179 1.00 71.31 H new ATOM 0 HB2 LEU A 64 -12.843 2.870 5.452 1.00 65.01 H new ATOM 0 HB3 LEU A 64 -11.217 2.433 5.936 1.00 65.01 H new ATOM 0 HG LEU A 64 -11.687 4.847 5.887 1.00 55.21 H new ATOM 0 HD11 LEU A 64 -9.533 5.549 4.756 1.00 54.11 H new ATOM 0 HD12 LEU A 64 -9.349 4.094 5.764 1.00 54.11 H new ATOM 0 HD13 LEU A 64 -9.454 3.942 3.994 1.00 54.11 H new ATOM 0 HD21 LEU A 64 -11.675 6.205 3.828 1.00 74.30 H new ATOM 0 HD22 LEU A 64 -11.879 4.714 2.878 1.00 74.30 H new ATOM 0 HD23 LEU A 64 -13.135 5.210 4.037 1.00 74.30 H new ATOM 1017 N PRO A 65 -11.815 -0.430 5.112 1.00 10.33 N ATOM 1018 CA PRO A 65 -11.286 -1.766 5.461 1.00 33.32 C ATOM 1019 C PRO A 65 -11.086 -2.650 4.217 1.00 21.15 C ATOM 1020 O PRO A 65 -10.350 -3.628 4.283 1.00 32.14 O ATOM 1021 CB PRO A 65 -12.351 -2.376 6.426 1.00 3.13 C ATOM 1022 CG PRO A 65 -13.201 -1.220 6.851 1.00 73.21 C ATOM 1023 CD PRO A 65 -13.177 -0.252 5.693 1.00 71.53 C ATOM 0 HA PRO A 65 -10.301 -1.699 5.922 1.00 33.32 H new ATOM 0 HB2 PRO A 65 -12.946 -3.139 5.924 1.00 3.13 H new ATOM 0 HB3 PRO A 65 -11.878 -2.854 7.284 1.00 3.13 H new ATOM 0 HG2 PRO A 65 -14.219 -1.542 7.072 1.00 73.21 H new ATOM 0 HG3 PRO A 65 -12.809 -0.757 7.757 1.00 73.21 H new ATOM 0 HD2 PRO A 65 -13.956 -0.479 4.965 1.00 71.53 H new ATOM 0 HD3 PRO A 65 -13.340 0.773 6.025 1.00 71.53 H new ATOM 1031 N LYS A 66 -11.724 -2.288 3.073 1.00 51.50 N ATOM 1032 CA LYS A 66 -11.686 -3.107 1.858 1.00 65.11 C ATOM 1033 C LYS A 66 -10.341 -2.913 1.145 1.00 64.42 C ATOM 1034 O LYS A 66 -9.735 -3.889 0.702 1.00 2.34 O ATOM 1035 CB LYS A 66 -12.878 -2.785 0.921 1.00 70.21 C ATOM 1036 CG LYS A 66 -12.892 -3.550 -0.421 1.00 1.32 C ATOM 1037 CD LYS A 66 -12.979 -5.087 -0.256 1.00 31.22 C ATOM 1038 CE LYS A 66 -12.880 -5.823 -1.604 1.00 71.32 C ATOM 1039 NZ LYS A 66 -12.925 -7.300 -1.441 1.00 43.33 N ATOM 0 H LYS A 66 -12.269 -1.431 2.979 1.00 51.50 H new ATOM 0 HA LYS A 66 -11.782 -4.156 2.140 1.00 65.11 H new ATOM 0 HB2 LYS A 66 -13.805 -3.001 1.453 1.00 70.21 H new ATOM 0 HB3 LYS A 66 -12.874 -1.716 0.710 1.00 70.21 H new ATOM 0 HG2 LYS A 66 -13.739 -3.208 -1.016 1.00 1.32 H new ATOM 0 HG3 LYS A 66 -11.989 -3.303 -0.980 1.00 1.32 H new ATOM 0 HD2 LYS A 66 -12.178 -5.426 0.401 1.00 31.22 H new ATOM 0 HD3 LYS A 66 -13.920 -5.346 0.229 1.00 31.22 H new ATOM 0 HE2 LYS A 66 -13.698 -5.505 -2.251 1.00 71.32 H new ATOM 0 HE3 LYS A 66 -11.952 -5.542 -2.102 1.00 71.32 H new ATOM 0 HZ1 LYS A 66 -12.855 -7.754 -2.374 1.00 43.33 H new ATOM 0 HZ2 LYS A 66 -12.130 -7.608 -0.846 1.00 43.33 H new ATOM 0 HZ3 LYS A 66 -13.821 -7.572 -0.989 1.00 43.33 H new ATOM 1053 N ILE A 67 -9.878 -1.642 1.057 1.00 5.42 N ATOM 1054 CA ILE A 67 -8.575 -1.325 0.439 1.00 32.23 C ATOM 1055 C ILE A 67 -7.420 -1.734 1.370 1.00 75.44 C ATOM 1056 O ILE A 67 -6.369 -2.185 0.896 1.00 43.31 O ATOM 1057 CB ILE A 67 -8.481 0.193 0.056 1.00 52.02 C ATOM 1058 CG1 ILE A 67 -9.697 0.568 -0.844 1.00 71.41 C ATOM 1059 CG2 ILE A 67 -7.130 0.526 -0.640 1.00 33.31 C ATOM 1060 CD1 ILE A 67 -9.688 1.972 -1.386 1.00 62.31 C ATOM 0 H ILE A 67 -10.386 -0.828 1.404 1.00 5.42 H new ATOM 0 HA ILE A 67 -8.490 -1.901 -0.482 1.00 32.23 H new ATOM 0 HB ILE A 67 -8.514 0.792 0.966 1.00 52.02 H new ATOM 0 HG12 ILE A 67 -9.735 -0.127 -1.683 1.00 71.41 H new ATOM 0 HG13 ILE A 67 -10.612 0.424 -0.269 1.00 71.41 H new ATOM 0 HG21 ILE A 67 -7.101 1.586 -0.891 1.00 33.31 H new ATOM 0 HG22 ILE A 67 -6.306 0.290 0.033 1.00 33.31 H new ATOM 0 HG23 ILE A 67 -7.035 -0.065 -1.551 1.00 33.31 H new ATOM 0 HD11 ILE A 67 -10.576 2.131 -1.998 1.00 62.31 H new ATOM 0 HD12 ILE A 67 -9.686 2.681 -0.558 1.00 62.31 H new ATOM 0 HD13 ILE A 67 -8.796 2.121 -1.994 1.00 62.31 H new ATOM 1072 N ILE A 68 -7.646 -1.603 2.693 1.00 60.41 N ATOM 1073 CA ILE A 68 -6.673 -2.039 3.715 1.00 73.42 C ATOM 1074 C ILE A 68 -6.508 -3.582 3.665 1.00 25.45 C ATOM 1075 O ILE A 68 -5.380 -4.098 3.732 1.00 32.43 O ATOM 1076 CB ILE A 68 -7.089 -1.530 5.151 1.00 60.24 C ATOM 1077 CG1 ILE A 68 -6.841 0.017 5.264 1.00 21.13 C ATOM 1078 CG2 ILE A 68 -6.359 -2.303 6.278 1.00 71.15 C ATOM 1079 CD1 ILE A 68 -7.350 0.663 6.538 1.00 73.33 C ATOM 0 H ILE A 68 -8.498 -1.197 3.080 1.00 60.41 H new ATOM 0 HA ILE A 68 -5.704 -1.592 3.495 1.00 73.42 H new ATOM 0 HB ILE A 68 -8.153 -1.725 5.282 1.00 60.24 H new ATOM 0 HG12 ILE A 68 -5.770 0.203 5.184 1.00 21.13 H new ATOM 0 HG13 ILE A 68 -7.314 0.507 4.413 1.00 21.13 H new ATOM 0 HG21 ILE A 68 -6.676 -1.919 7.247 1.00 71.15 H new ATOM 0 HG22 ILE A 68 -6.604 -3.363 6.210 1.00 71.15 H new ATOM 0 HG23 ILE A 68 -5.282 -2.172 6.171 1.00 71.15 H new ATOM 0 HD11 ILE A 68 -7.130 1.730 6.518 1.00 73.33 H new ATOM 0 HD12 ILE A 68 -8.427 0.516 6.615 1.00 73.33 H new ATOM 0 HD13 ILE A 68 -6.859 0.208 7.398 1.00 73.33 H new ATOM 1091 N LEU A 69 -7.645 -4.292 3.480 1.00 30.44 N ATOM 1092 CA LEU A 69 -7.671 -5.761 3.349 1.00 51.11 C ATOM 1093 C LEU A 69 -6.944 -6.185 2.071 1.00 1.20 C ATOM 1094 O LEU A 69 -6.092 -7.059 2.115 1.00 5.14 O ATOM 1095 CB LEU A 69 -9.124 -6.303 3.320 1.00 50.14 C ATOM 1096 CG LEU A 69 -9.284 -7.893 3.285 1.00 63.22 C ATOM 1097 CD1 LEU A 69 -8.563 -8.591 4.466 1.00 23.32 C ATOM 1098 CD2 LEU A 69 -10.768 -8.385 3.197 1.00 23.41 C ATOM 0 H LEU A 69 -8.567 -3.860 3.418 1.00 30.44 H new ATOM 0 HA LEU A 69 -7.166 -6.181 4.219 1.00 51.11 H new ATOM 0 HB2 LEU A 69 -9.648 -5.925 4.198 1.00 50.14 H new ATOM 0 HB3 LEU A 69 -9.627 -5.889 2.446 1.00 50.14 H new ATOM 0 HG LEU A 69 -8.796 -8.187 2.356 1.00 63.22 H new ATOM 0 HD11 LEU A 69 -8.704 -9.669 4.393 1.00 23.32 H new ATOM 0 HD12 LEU A 69 -7.498 -8.361 4.429 1.00 23.32 H new ATOM 0 HD13 LEU A 69 -8.979 -8.234 5.408 1.00 23.32 H new ATOM 0 HD21 LEU A 69 -10.790 -9.475 3.178 1.00 23.41 H new ATOM 0 HD22 LEU A 69 -11.322 -8.026 4.064 1.00 23.41 H new ATOM 0 HD23 LEU A 69 -11.227 -7.997 2.288 1.00 23.41 H new ATOM 1110 N ASN A 70 -7.296 -5.515 0.958 1.00 73.43 N ATOM 1111 CA ASN A 70 -6.776 -5.816 -0.386 1.00 33.44 C ATOM 1112 C ASN A 70 -5.257 -5.575 -0.479 1.00 15.54 C ATOM 1113 O ASN A 70 -4.546 -6.338 -1.150 1.00 4.23 O ATOM 1114 CB ASN A 70 -7.555 -4.992 -1.452 1.00 45.44 C ATOM 1115 CG ASN A 70 -6.945 -5.096 -2.847 1.00 43.32 C ATOM 1116 OD1 ASN A 70 -6.103 -4.147 -3.210 1.00 62.55 O flip ATOM 1117 ND2 ASN A 70 -7.216 -6.034 -3.590 1.00 62.24 N flip ATOM 0 H ASN A 70 -7.958 -4.739 0.969 1.00 73.43 H new ATOM 0 HA ASN A 70 -6.933 -6.876 -0.586 1.00 33.44 H new ATOM 0 HB2 ASN A 70 -8.588 -5.337 -1.486 1.00 45.44 H new ATOM 0 HB3 ASN A 70 -7.578 -3.945 -1.149 1.00 45.44 H new ATOM 0 HD21 ASN A 70 -7.870 -6.754 -3.284 1.00 62.24 H new ATOM 0 HD22 ASN A 70 -6.787 -6.094 -4.513 1.00 62.24 H new ATOM 1124 N LEU A 71 -4.763 -4.532 0.212 1.00 64.15 N ATOM 1125 CA LEU A 71 -3.328 -4.206 0.231 1.00 54.22 C ATOM 1126 C LEU A 71 -2.579 -5.246 1.075 1.00 33.31 C ATOM 1127 O LEU A 71 -1.525 -5.740 0.678 1.00 11.05 O ATOM 1128 CB LEU A 71 -3.095 -2.770 0.780 1.00 44.43 C ATOM 1129 CG LEU A 71 -1.608 -2.256 0.875 1.00 23.02 C ATOM 1130 CD1 LEU A 71 -0.904 -2.180 -0.497 1.00 34.04 C ATOM 1131 CD2 LEU A 71 -1.538 -0.893 1.608 1.00 44.13 C ATOM 0 H LEU A 71 -5.340 -3.899 0.766 1.00 64.15 H new ATOM 0 HA LEU A 71 -2.942 -4.234 -0.788 1.00 54.22 H new ATOM 0 HB2 LEU A 71 -3.651 -2.075 0.150 1.00 44.43 H new ATOM 0 HB3 LEU A 71 -3.533 -2.716 1.777 1.00 44.43 H new ATOM 0 HG LEU A 71 -1.064 -2.998 1.460 1.00 23.02 H new ATOM 0 HD11 LEU A 71 0.116 -1.819 -0.363 1.00 34.04 H new ATOM 0 HD12 LEU A 71 -0.882 -3.171 -0.950 1.00 34.04 H new ATOM 0 HD13 LEU A 71 -1.448 -1.496 -1.148 1.00 34.04 H new ATOM 0 HD21 LEU A 71 -0.501 -0.561 1.660 1.00 44.13 H new ATOM 0 HD22 LEU A 71 -2.128 -0.156 1.063 1.00 44.13 H new ATOM 0 HD23 LEU A 71 -1.935 -1.002 2.617 1.00 44.13 H new ATOM 1143 N ARG A 72 -3.190 -5.605 2.219 1.00 15.33 N ATOM 1144 CA ARG A 72 -2.680 -6.677 3.108 1.00 74.15 C ATOM 1145 C ARG A 72 -2.793 -8.053 2.387 1.00 31.33 C ATOM 1146 O ARG A 72 -2.019 -8.962 2.646 1.00 73.43 O ATOM 1147 CB ARG A 72 -3.453 -6.658 4.482 1.00 64.34 C ATOM 1148 CG ARG A 72 -2.943 -7.644 5.555 1.00 41.34 C ATOM 1149 CD ARG A 72 -3.929 -7.769 6.739 1.00 64.42 C ATOM 1150 NE ARG A 72 -3.392 -8.603 7.833 1.00 11.41 N ATOM 1151 CZ ARG A 72 -3.580 -8.388 9.141 1.00 61.22 C ATOM 1152 NH1 ARG A 72 -4.297 -7.357 9.574 1.00 71.23 N ATOM 1153 NH2 ARG A 72 -3.043 -9.214 10.023 1.00 34.34 N ATOM 0 H ARG A 72 -4.047 -5.166 2.556 1.00 15.33 H new ATOM 0 HA ARG A 72 -1.627 -6.504 3.330 1.00 74.15 H new ATOM 0 HB2 ARG A 72 -3.404 -5.649 4.891 1.00 64.34 H new ATOM 0 HB3 ARG A 72 -4.504 -6.873 4.289 1.00 64.34 H new ATOM 0 HG2 ARG A 72 -2.791 -8.625 5.104 1.00 41.34 H new ATOM 0 HG3 ARG A 72 -1.973 -7.309 5.924 1.00 41.34 H new ATOM 0 HD2 ARG A 72 -4.159 -6.775 7.123 1.00 64.42 H new ATOM 0 HD3 ARG A 72 -4.866 -8.199 6.384 1.00 64.42 H new ATOM 0 HE ARG A 72 -2.830 -9.412 7.570 1.00 11.41 H new ATOM 0 HH11 ARG A 72 -4.717 -6.711 8.905 1.00 71.23 H new ATOM 0 HH12 ARG A 72 -4.428 -7.211 10.575 1.00 71.23 H new ATOM 0 HH21 ARG A 72 -2.489 -10.010 9.705 1.00 34.34 H new ATOM 0 HH22 ARG A 72 -3.183 -9.056 11.021 1.00 34.34 H new ATOM 1167 N LYS A 73 -3.727 -8.154 1.416 1.00 60.22 N ATOM 1168 CA LYS A 73 -3.998 -9.382 0.645 1.00 44.25 C ATOM 1169 C LYS A 73 -3.016 -9.484 -0.530 1.00 54.12 C ATOM 1170 O LYS A 73 -2.748 -10.573 -1.029 1.00 52.14 O ATOM 1171 CB LYS A 73 -5.468 -9.346 0.148 1.00 63.53 C ATOM 1172 CG LYS A 73 -5.931 -10.500 -0.765 1.00 60.31 C ATOM 1173 CD LYS A 73 -7.363 -10.261 -1.295 1.00 31.35 C ATOM 1174 CE LYS A 73 -7.828 -11.318 -2.301 1.00 24.31 C ATOM 1175 NZ LYS A 73 -9.130 -10.953 -2.923 1.00 64.42 N ATOM 0 H LYS A 73 -4.322 -7.371 1.144 1.00 60.22 H new ATOM 0 HA LYS A 73 -3.860 -10.262 1.273 1.00 44.25 H new ATOM 0 HB2 LYS A 73 -6.120 -9.324 1.021 1.00 63.53 H new ATOM 0 HB3 LYS A 73 -5.621 -8.409 -0.388 1.00 63.53 H new ATOM 0 HG2 LYS A 73 -5.243 -10.600 -1.604 1.00 60.31 H new ATOM 0 HG3 LYS A 73 -5.898 -11.439 -0.212 1.00 60.31 H new ATOM 0 HD2 LYS A 73 -8.055 -10.243 -0.453 1.00 31.35 H new ATOM 0 HD3 LYS A 73 -7.408 -9.279 -1.765 1.00 31.35 H new ATOM 0 HE2 LYS A 73 -7.074 -11.436 -3.079 1.00 24.31 H new ATOM 0 HE3 LYS A 73 -7.922 -12.281 -1.799 1.00 24.31 H new ATOM 0 HZ1 LYS A 73 -9.412 -11.692 -3.598 1.00 64.42 H new ATOM 0 HZ2 LYS A 73 -9.856 -10.865 -2.183 1.00 64.42 H new ATOM 0 HZ3 LYS A 73 -9.034 -10.046 -3.423 1.00 64.42 H new ATOM 1189 N ALA A 74 -2.501 -8.325 -0.985 1.00 73.31 N ATOM 1190 CA ALA A 74 -1.520 -8.260 -2.080 1.00 1.53 C ATOM 1191 C ALA A 74 -0.069 -8.311 -1.561 1.00 43.54 C ATOM 1192 O ALA A 74 0.822 -8.736 -2.298 1.00 23.35 O ATOM 1193 CB ALA A 74 -1.763 -6.997 -2.923 1.00 74.31 C ATOM 0 H ALA A 74 -2.753 -7.413 -0.604 1.00 73.31 H new ATOM 0 HA ALA A 74 -1.658 -9.139 -2.709 1.00 1.53 H new ATOM 0 HB1 ALA A 74 -1.034 -6.954 -3.732 1.00 74.31 H new ATOM 0 HB2 ALA A 74 -2.769 -7.027 -3.342 1.00 74.31 H new ATOM 0 HB3 ALA A 74 -1.659 -6.114 -2.293 1.00 74.31 H new ATOM 1199 N LEU A 75 0.182 -7.881 -0.302 1.00 23.14 N ATOM 1200 CA LEU A 75 1.568 -7.830 0.250 1.00 33.34 C ATOM 1201 C LEU A 75 1.918 -9.072 1.101 1.00 51.43 C ATOM 1202 O LEU A 75 3.093 -9.460 1.134 1.00 23.30 O ATOM 1203 CB LEU A 75 1.834 -6.511 1.058 1.00 54.01 C ATOM 1204 CG LEU A 75 1.622 -5.130 0.323 1.00 21.23 C ATOM 1205 CD1 LEU A 75 1.951 -3.937 1.250 1.00 54.12 C ATOM 1206 CD2 LEU A 75 2.393 -5.007 -1.017 1.00 41.31 C ATOM 0 H LEU A 75 -0.540 -7.568 0.346 1.00 23.14 H new ATOM 0 HA LEU A 75 2.231 -7.833 -0.615 1.00 33.34 H new ATOM 0 HB2 LEU A 75 1.189 -6.523 1.937 1.00 54.01 H new ATOM 0 HB3 LEU A 75 2.863 -6.542 1.417 1.00 54.01 H new ATOM 0 HG LEU A 75 0.562 -5.100 0.071 1.00 21.23 H new ATOM 0 HD11 LEU A 75 1.794 -3.003 0.711 1.00 54.12 H new ATOM 0 HD12 LEU A 75 1.300 -3.965 2.124 1.00 54.12 H new ATOM 0 HD13 LEU A 75 2.991 -4.001 1.570 1.00 54.12 H new ATOM 0 HD21 LEU A 75 2.197 -4.031 -1.461 1.00 41.31 H new ATOM 0 HD22 LEU A 75 3.462 -5.113 -0.833 1.00 41.31 H new ATOM 0 HD23 LEU A 75 2.063 -5.790 -1.700 1.00 41.31 H new ATOM 1218 N THR A 76 0.929 -9.699 1.781 1.00 30.13 N ATOM 1219 CA THR A 76 1.189 -10.903 2.613 1.00 5.35 C ATOM 1220 C THR A 76 1.689 -12.136 1.793 1.00 43.00 C ATOM 1221 O THR A 76 2.658 -12.753 2.234 1.00 64.35 O ATOM 1222 CB THR A 76 -0.030 -11.289 3.514 1.00 11.14 C ATOM 1223 OG1 THR A 76 -0.323 -10.189 4.373 1.00 73.30 O ATOM 1224 CG2 THR A 76 0.222 -12.553 4.377 1.00 42.32 C ATOM 0 H THR A 76 -0.045 -9.398 1.772 1.00 30.13 H new ATOM 0 HA THR A 76 2.009 -10.611 3.270 1.00 5.35 H new ATOM 0 HB THR A 76 -0.865 -11.520 2.853 1.00 11.14 H new ATOM 0 HG1 THR A 76 -0.861 -9.529 3.888 1.00 73.30 H new ATOM 0 HG21 THR A 76 -0.662 -12.766 4.978 1.00 42.32 H new ATOM 0 HG22 THR A 76 0.431 -13.402 3.726 1.00 42.32 H new ATOM 0 HG23 THR A 76 1.074 -12.381 5.034 1.00 42.32 H new ATOM 1232 N PRO A 77 1.078 -12.535 0.597 1.00 13.44 N ATOM 1233 CA PRO A 77 1.602 -13.683 -0.206 1.00 52.12 C ATOM 1234 C PRO A 77 3.053 -13.447 -0.681 1.00 54.30 C ATOM 1235 O PRO A 77 3.860 -14.386 -0.752 1.00 24.02 O ATOM 1236 CB PRO A 77 0.616 -13.799 -1.405 1.00 70.34 C ATOM 1237 CG PRO A 77 -0.617 -13.082 -0.963 1.00 24.45 C ATOM 1238 CD PRO A 77 -0.137 -11.964 -0.061 1.00 61.31 C ATOM 0 HA PRO A 77 1.650 -14.600 0.381 1.00 52.12 H new ATOM 0 HB2 PRO A 77 1.034 -13.347 -2.305 1.00 70.34 H new ATOM 0 HB3 PRO A 77 0.403 -14.842 -1.641 1.00 70.34 H new ATOM 0 HG2 PRO A 77 -1.168 -12.688 -1.817 1.00 24.45 H new ATOM 0 HG3 PRO A 77 -1.291 -13.753 -0.431 1.00 24.45 H new ATOM 0 HD2 PRO A 77 0.101 -11.065 -0.630 1.00 61.31 H new ATOM 0 HD3 PRO A 77 -0.896 -11.687 0.671 1.00 61.31 H new ATOM 1246 N LEU A 78 3.372 -12.171 -0.985 1.00 73.03 N ATOM 1247 CA LEU A 78 4.728 -11.766 -1.431 1.00 0.52 C ATOM 1248 C LEU A 78 5.717 -11.746 -0.246 1.00 52.02 C ATOM 1249 O LEU A 78 6.924 -11.951 -0.439 1.00 33.45 O ATOM 1250 CB LEU A 78 4.736 -10.375 -2.148 1.00 4.45 C ATOM 1251 CG LEU A 78 3.682 -10.161 -3.309 1.00 62.13 C ATOM 1252 CD1 LEU A 78 3.741 -8.740 -3.917 1.00 22.14 C ATOM 1253 CD2 LEU A 78 3.806 -11.215 -4.444 1.00 60.42 C ATOM 0 H LEU A 78 2.708 -11.399 -0.930 1.00 73.03 H new ATOM 0 HA LEU A 78 5.047 -12.514 -2.157 1.00 0.52 H new ATOM 0 HB2 LEU A 78 4.572 -9.604 -1.395 1.00 4.45 H new ATOM 0 HB3 LEU A 78 5.732 -10.211 -2.560 1.00 4.45 H new ATOM 0 HG LEU A 78 2.713 -10.291 -2.827 1.00 62.13 H new ATOM 0 HD11 LEU A 78 2.996 -8.651 -4.708 1.00 22.14 H new ATOM 0 HD12 LEU A 78 3.535 -8.003 -3.141 1.00 22.14 H new ATOM 0 HD13 LEU A 78 4.733 -8.563 -4.332 1.00 22.14 H new ATOM 0 HD21 LEU A 78 3.057 -11.015 -5.210 1.00 60.42 H new ATOM 0 HD22 LEU A 78 4.801 -11.158 -4.886 1.00 60.42 H new ATOM 0 HD23 LEU A 78 3.648 -12.212 -4.033 1.00 60.42 H new ATOM 1265 N ALA A 79 5.192 -11.480 0.966 1.00 43.33 N ATOM 1266 CA ALA A 79 5.973 -11.532 2.214 1.00 5.44 C ATOM 1267 C ALA A 79 6.348 -12.994 2.528 1.00 4.23 C ATOM 1268 O ALA A 79 7.514 -13.291 2.789 1.00 44.31 O ATOM 1269 CB ALA A 79 5.185 -10.890 3.371 1.00 13.15 C ATOM 0 H ALA A 79 4.215 -11.223 1.106 1.00 43.33 H new ATOM 0 HA ALA A 79 6.893 -10.961 2.090 1.00 5.44 H new ATOM 0 HB1 ALA A 79 5.777 -10.937 4.285 1.00 13.15 H new ATOM 0 HB2 ALA A 79 4.970 -9.849 3.131 1.00 13.15 H new ATOM 0 HB3 ALA A 79 4.249 -11.429 3.517 1.00 13.15 H new ATOM 1275 N ILE A 80 5.344 -13.901 2.418 1.00 53.31 N ATOM 1276 CA ILE A 80 5.516 -15.359 2.647 1.00 74.14 C ATOM 1277 C ILE A 80 6.554 -15.943 1.670 1.00 23.32 C ATOM 1278 O ILE A 80 7.442 -16.708 2.072 1.00 73.31 O ATOM 1279 CB ILE A 80 4.139 -16.142 2.512 1.00 5.41 C ATOM 1280 CG1 ILE A 80 3.105 -15.643 3.579 1.00 32.21 C ATOM 1281 CG2 ILE A 80 4.341 -17.684 2.597 1.00 54.42 C ATOM 1282 CD1 ILE A 80 1.744 -16.317 3.525 1.00 54.42 C ATOM 0 H ILE A 80 4.390 -13.641 2.167 1.00 53.31 H new ATOM 0 HA ILE A 80 5.876 -15.487 3.668 1.00 74.14 H new ATOM 0 HB ILE A 80 3.734 -15.926 1.523 1.00 5.41 H new ATOM 0 HG12 ILE A 80 3.529 -15.795 4.572 1.00 32.21 H new ATOM 0 HG13 ILE A 80 2.966 -14.569 3.453 1.00 32.21 H new ATOM 0 HG21 ILE A 80 3.377 -18.183 2.501 1.00 54.42 H new ATOM 0 HG22 ILE A 80 5.000 -18.010 1.792 1.00 54.42 H new ATOM 0 HG23 ILE A 80 4.788 -17.940 3.558 1.00 54.42 H new ATOM 0 HD11 ILE A 80 1.102 -15.903 4.302 1.00 54.42 H new ATOM 0 HD12 ILE A 80 1.291 -16.144 2.549 1.00 54.42 H new ATOM 0 HD13 ILE A 80 1.862 -17.389 3.685 1.00 54.42 H new ATOM 1294 N ASN A 81 6.449 -15.554 0.386 1.00 32.30 N ATOM 1295 CA ASN A 81 7.403 -15.989 -0.657 1.00 15.31 C ATOM 1296 C ASN A 81 8.747 -15.232 -0.552 1.00 65.21 C ATOM 1297 O ASN A 81 9.716 -15.620 -1.215 1.00 31.32 O ATOM 1298 CB ASN A 81 6.783 -15.848 -2.077 1.00 53.40 C ATOM 1299 CG ASN A 81 5.604 -16.801 -2.327 1.00 51.03 C ATOM 1300 OD1 ASN A 81 5.462 -17.834 -1.674 1.00 54.52 O ATOM 1301 ND2 ASN A 81 4.768 -16.483 -3.301 1.00 74.13 N ATOM 0 H ASN A 81 5.712 -14.938 0.043 1.00 32.30 H new ATOM 0 HA ASN A 81 7.613 -17.045 -0.488 1.00 15.31 H new ATOM 0 HB2 ASN A 81 6.446 -14.821 -2.218 1.00 53.40 H new ATOM 0 HB3 ASN A 81 7.556 -16.035 -2.823 1.00 53.40 H new ATOM 0 HD21 ASN A 81 3.986 -17.099 -3.524 1.00 74.13 H new ATOM 0 HD22 ASN A 81 4.905 -15.621 -3.830 1.00 74.13 H new ATOM 1308 N ARG A 82 8.779 -14.155 0.277 1.00 44.51 N ATOM 1309 CA ARG A 82 10.010 -13.390 0.602 1.00 31.04 C ATOM 1310 C ARG A 82 10.647 -12.752 -0.656 1.00 53.44 C ATOM 1311 O ARG A 82 11.840 -12.939 -0.930 1.00 22.34 O ATOM 1312 CB ARG A 82 11.060 -14.268 1.377 1.00 61.22 C ATOM 1313 CG ARG A 82 10.649 -14.741 2.801 1.00 10.52 C ATOM 1314 CD ARG A 82 11.748 -15.597 3.485 1.00 64.41 C ATOM 1315 NE ARG A 82 12.037 -16.836 2.726 1.00 53.33 N ATOM 1316 CZ ARG A 82 13.241 -17.208 2.251 1.00 32.23 C ATOM 1317 NH1 ARG A 82 14.324 -16.447 2.413 1.00 12.54 N ATOM 1318 NH2 ARG A 82 13.358 -18.369 1.623 1.00 42.24 N ATOM 0 H ARG A 82 7.946 -13.792 0.741 1.00 44.51 H new ATOM 0 HA ARG A 82 9.703 -12.579 1.263 1.00 31.04 H new ATOM 0 HB2 ARG A 82 11.280 -15.149 0.774 1.00 61.22 H new ATOM 0 HB3 ARG A 82 11.986 -13.699 1.460 1.00 61.22 H new ATOM 0 HG2 ARG A 82 10.433 -13.871 3.421 1.00 10.52 H new ATOM 0 HG3 ARG A 82 9.729 -15.322 2.736 1.00 10.52 H new ATOM 0 HD2 ARG A 82 12.660 -15.008 3.579 1.00 64.41 H new ATOM 0 HD3 ARG A 82 11.430 -15.856 4.495 1.00 64.41 H new ATOM 0 HE ARG A 82 11.253 -17.464 2.547 1.00 53.33 H new ATOM 0 HH11 ARG A 82 14.253 -15.558 2.908 1.00 12.54 H new ATOM 0 HH12 ARG A 82 15.223 -16.754 2.042 1.00 12.54 H new ATOM 0 HH21 ARG A 82 12.542 -18.969 1.504 1.00 42.24 H new ATOM 0 HH22 ARG A 82 14.264 -18.663 1.258 1.00 42.24 H new ATOM 1332 N THR A 83 9.842 -11.982 -1.403 1.00 15.31 N ATOM 1333 CA THR A 83 10.318 -11.252 -2.607 1.00 52.30 C ATOM 1334 C THR A 83 9.839 -9.783 -2.589 1.00 53.20 C ATOM 1335 O THR A 83 10.046 -9.046 -3.559 1.00 64.12 O ATOM 1336 CB THR A 83 9.866 -11.982 -3.930 1.00 61.11 C ATOM 1337 OG1 THR A 83 10.575 -11.475 -5.082 1.00 53.42 O ATOM 1338 CG2 THR A 83 8.358 -11.849 -4.185 1.00 63.35 C ATOM 0 H THR A 83 8.852 -11.843 -1.200 1.00 15.31 H new ATOM 0 HA THR A 83 11.408 -11.248 -2.587 1.00 52.30 H new ATOM 0 HB THR A 83 10.106 -13.035 -3.784 1.00 61.11 H new ATOM 0 HG1 THR A 83 10.634 -10.498 -5.026 1.00 53.42 H new ATOM 0 HG21 THR A 83 8.098 -12.368 -5.107 1.00 63.35 H new ATOM 0 HG22 THR A 83 7.808 -12.289 -3.353 1.00 63.35 H new ATOM 0 HG23 THR A 83 8.096 -10.795 -4.276 1.00 63.35 H new ATOM 1346 N LEU A 84 9.208 -9.359 -1.477 1.00 75.24 N ATOM 1347 CA LEU A 84 8.832 -7.947 -1.256 1.00 51.35 C ATOM 1348 C LEU A 84 10.100 -7.141 -0.889 1.00 1.11 C ATOM 1349 O LEU A 84 11.042 -7.709 -0.306 1.00 70.21 O ATOM 1350 CB LEU A 84 7.757 -7.839 -0.125 1.00 62.44 C ATOM 1351 CG LEU A 84 7.141 -6.408 0.152 1.00 45.31 C ATOM 1352 CD1 LEU A 84 6.016 -6.050 -0.843 1.00 70.00 C ATOM 1353 CD2 LEU A 84 6.649 -6.269 1.613 1.00 31.30 C ATOM 0 H LEU A 84 8.946 -9.980 -0.711 1.00 75.24 H new ATOM 0 HA LEU A 84 8.397 -7.536 -2.167 1.00 51.35 H new ATOM 0 HB2 LEU A 84 6.940 -8.517 -0.370 1.00 62.44 H new ATOM 0 HB3 LEU A 84 8.204 -8.200 0.801 1.00 62.44 H new ATOM 0 HG LEU A 84 7.949 -5.692 -0.001 1.00 45.31 H new ATOM 0 HD11 LEU A 84 5.626 -5.059 -0.610 1.00 70.00 H new ATOM 0 HD12 LEU A 84 6.413 -6.055 -1.858 1.00 70.00 H new ATOM 0 HD13 LEU A 84 5.213 -6.783 -0.764 1.00 70.00 H new ATOM 0 HD21 LEU A 84 6.233 -5.273 1.764 1.00 31.30 H new ATOM 0 HD22 LEU A 84 5.881 -7.017 1.811 1.00 31.30 H new ATOM 0 HD23 LEU A 84 7.486 -6.419 2.295 1.00 31.30 H new ATOM 1365 N ASN A 85 10.120 -5.837 -1.216 1.00 61.24 N ATOM 1366 CA ASN A 85 11.341 -4.995 -1.041 1.00 31.20 C ATOM 1367 C ASN A 85 11.606 -4.743 0.452 1.00 12.43 C ATOM 1368 O ASN A 85 12.764 -4.626 0.865 1.00 53.55 O ATOM 1369 CB ASN A 85 11.275 -3.638 -1.821 1.00 34.23 C ATOM 1370 CG ASN A 85 12.577 -2.813 -1.759 1.00 2.51 C ATOM 1371 OD1 ASN A 85 12.834 -2.114 -0.786 1.00 41.03 O ATOM 1372 ND2 ASN A 85 13.375 -2.827 -2.825 1.00 52.43 N ATOM 0 H ASN A 85 9.318 -5.337 -1.600 1.00 61.24 H new ATOM 0 HA ASN A 85 12.170 -5.557 -1.471 1.00 31.20 H new ATOM 0 HB2 ASN A 85 11.036 -3.842 -2.865 1.00 34.23 H new ATOM 0 HB3 ASN A 85 10.458 -3.039 -1.418 1.00 34.23 H new ATOM 0 HD21 ASN A 85 14.216 -2.250 -2.840 1.00 52.43 H new ATOM 0 HD22 ASN A 85 13.145 -3.415 -3.626 1.00 52.43 H new ATOM 1379 N HIS A 86 10.512 -4.629 1.238 1.00 13.53 N ATOM 1380 CA HIS A 86 10.557 -4.596 2.720 1.00 33.42 C ATOM 1381 C HIS A 86 11.092 -3.241 3.270 1.00 71.24 C ATOM 1382 O HIS A 86 11.038 -3.001 4.472 1.00 41.04 O ATOM 1383 CB HIS A 86 11.362 -5.829 3.258 1.00 5.52 C ATOM 1384 CG HIS A 86 11.410 -6.030 4.755 1.00 13.01 C ATOM 1385 ND1 HIS A 86 10.516 -6.832 5.444 1.00 2.25 N ATOM 1386 CD2 HIS A 86 12.285 -5.577 5.690 1.00 2.34 C ATOM 1387 CE1 HIS A 86 10.851 -6.867 6.715 1.00 72.42 C ATOM 1388 NE2 HIS A 86 11.909 -6.110 6.894 1.00 62.45 N ATOM 0 H HIS A 86 9.567 -4.557 0.861 1.00 13.53 H new ATOM 0 HA HIS A 86 9.536 -4.672 3.094 1.00 33.42 H new ATOM 0 HB2 HIS A 86 10.939 -6.728 2.811 1.00 5.52 H new ATOM 0 HB3 HIS A 86 12.387 -5.746 2.897 1.00 5.52 H new ATOM 0 HD2 HIS A 86 13.123 -4.918 5.516 1.00 2.34 H new ATOM 0 HE1 HIS A 86 10.340 -7.426 7.485 1.00 72.42 H new ATOM 0 HE2 HIS A 86 12.375 -5.946 7.786 1.00 62.45 H new ATOM 1397 N ASP A 87 11.573 -2.328 2.391 1.00 20.54 N ATOM 1398 CA ASP A 87 12.072 -0.993 2.825 1.00 5.24 C ATOM 1399 C ASP A 87 10.893 -0.061 3.252 1.00 53.32 C ATOM 1400 O ASP A 87 11.114 1.012 3.822 1.00 54.30 O ATOM 1401 CB ASP A 87 12.998 -0.360 1.729 1.00 10.01 C ATOM 1402 CG ASP A 87 13.730 0.913 2.198 1.00 5.44 C ATOM 1403 OD1 ASP A 87 13.262 2.033 1.908 1.00 61.33 O ATOM 1404 OD2 ASP A 87 14.788 0.798 2.858 1.00 23.12 O ATOM 0 H ASP A 87 11.627 -2.486 1.385 1.00 20.54 H new ATOM 0 HA ASP A 87 12.690 -1.122 3.713 1.00 5.24 H new ATOM 0 HB2 ASP A 87 13.736 -1.099 1.418 1.00 10.01 H new ATOM 0 HB3 ASP A 87 12.397 -0.121 0.852 1.00 10.01 H new ATOM 1409 N LEU A 88 9.627 -0.517 3.040 1.00 41.55 N ATOM 1410 CA LEU A 88 8.418 0.126 3.595 1.00 12.40 C ATOM 1411 C LEU A 88 7.635 -0.928 4.404 1.00 10.04 C ATOM 1412 O LEU A 88 6.396 -0.946 4.414 1.00 62.23 O ATOM 1413 CB LEU A 88 7.523 0.808 2.503 1.00 64.10 C ATOM 1414 CG LEU A 88 7.017 -0.091 1.303 1.00 33.24 C ATOM 1415 CD1 LEU A 88 5.625 0.363 0.800 1.00 73.11 C ATOM 1416 CD2 LEU A 88 8.017 -0.088 0.127 1.00 13.22 C ATOM 0 H LEU A 88 9.424 -1.343 2.477 1.00 41.55 H new ATOM 0 HA LEU A 88 8.728 0.942 4.248 1.00 12.40 H new ATOM 0 HB2 LEU A 88 6.648 1.228 3.000 1.00 64.10 H new ATOM 0 HB3 LEU A 88 8.083 1.644 2.084 1.00 64.10 H new ATOM 0 HG LEU A 88 6.936 -1.107 1.689 1.00 33.24 H new ATOM 0 HD11 LEU A 88 5.309 -0.277 -0.024 1.00 73.11 H new ATOM 0 HD12 LEU A 88 4.903 0.290 1.613 1.00 73.11 H new ATOM 0 HD13 LEU A 88 5.681 1.396 0.456 1.00 73.11 H new ATOM 0 HD21 LEU A 88 7.635 -0.716 -0.677 1.00 13.22 H new ATOM 0 HD22 LEU A 88 8.146 0.931 -0.238 1.00 13.22 H new ATOM 0 HD23 LEU A 88 8.978 -0.476 0.465 1.00 13.22 H new ATOM 1428 N SER A 89 8.383 -1.796 5.122 1.00 21.31 N ATOM 1429 CA SER A 89 7.801 -2.840 5.987 1.00 34.32 C ATOM 1430 C SER A 89 6.975 -2.212 7.128 1.00 15.33 C ATOM 1431 O SER A 89 6.021 -2.817 7.637 1.00 64.34 O ATOM 1432 CB SER A 89 8.902 -3.744 6.574 1.00 24.35 C ATOM 1433 OG SER A 89 8.359 -4.805 7.347 1.00 21.24 O ATOM 0 H SER A 89 9.403 -1.790 5.116 1.00 21.31 H new ATOM 0 HA SER A 89 7.140 -3.449 5.371 1.00 34.32 H new ATOM 0 HB2 SER A 89 9.504 -4.156 5.764 1.00 24.35 H new ATOM 0 HB3 SER A 89 9.569 -3.147 7.195 1.00 24.35 H new ATOM 0 HG SER A 89 9.048 -5.157 7.949 1.00 21.24 H new ATOM 1439 N GLU A 90 7.361 -0.976 7.504 1.00 33.11 N ATOM 1440 CA GLU A 90 6.672 -0.179 8.528 1.00 2.32 C ATOM 1441 C GLU A 90 5.253 0.198 8.032 1.00 54.43 C ATOM 1442 O GLU A 90 4.334 0.319 8.838 1.00 51.13 O ATOM 1443 CB GLU A 90 7.569 1.062 8.872 1.00 0.42 C ATOM 1444 CG GLU A 90 7.136 1.958 10.070 1.00 30.11 C ATOM 1445 CD GLU A 90 5.945 2.901 9.786 1.00 61.14 C ATOM 1446 OE1 GLU A 90 6.041 3.731 8.868 1.00 33.13 O ATOM 1447 OE2 GLU A 90 4.917 2.822 10.487 1.00 33.43 O ATOM 0 H GLU A 90 8.168 -0.502 7.099 1.00 33.11 H new ATOM 0 HA GLU A 90 6.528 -0.746 9.448 1.00 2.32 H new ATOM 0 HB2 GLU A 90 8.578 0.702 9.070 1.00 0.42 H new ATOM 0 HB3 GLU A 90 7.624 1.692 7.984 1.00 0.42 H new ATOM 0 HG2 GLU A 90 6.877 1.314 10.910 1.00 30.11 H new ATOM 0 HG3 GLU A 90 7.990 2.560 10.381 1.00 30.11 H new ATOM 1454 N LEU A 91 5.079 0.317 6.691 1.00 61.41 N ATOM 1455 CA LEU A 91 3.764 0.590 6.060 1.00 71.05 C ATOM 1456 C LEU A 91 2.868 -0.662 6.158 1.00 4.02 C ATOM 1457 O LEU A 91 1.656 -0.550 6.403 1.00 11.34 O ATOM 1458 CB LEU A 91 3.974 1.052 4.577 1.00 11.23 C ATOM 1459 CG LEU A 91 2.768 1.749 3.832 1.00 70.23 C ATOM 1460 CD1 LEU A 91 3.272 2.638 2.670 1.00 45.22 C ATOM 1461 CD2 LEU A 91 1.720 0.738 3.302 1.00 23.23 C ATOM 0 H LEU A 91 5.843 0.227 6.021 1.00 61.41 H new ATOM 0 HA LEU A 91 3.257 1.398 6.587 1.00 71.05 H new ATOM 0 HB2 LEU A 91 4.818 1.741 4.560 1.00 11.23 H new ATOM 0 HB3 LEU A 91 4.264 0.178 3.994 1.00 11.23 H new ATOM 0 HG LEU A 91 2.273 2.372 4.577 1.00 70.23 H new ATOM 0 HD11 LEU A 91 2.421 3.106 2.174 1.00 45.22 H new ATOM 0 HD12 LEU A 91 3.933 3.411 3.063 1.00 45.22 H new ATOM 0 HD13 LEU A 91 3.818 2.025 1.953 1.00 45.22 H new ATOM 0 HD21 LEU A 91 0.916 1.277 2.800 1.00 23.23 H new ATOM 0 HD22 LEU A 91 2.196 0.057 2.597 1.00 23.23 H new ATOM 0 HD23 LEU A 91 1.310 0.169 4.136 1.00 23.23 H new ATOM 1473 N TYR A 92 3.488 -1.854 5.996 1.00 23.44 N ATOM 1474 CA TYR A 92 2.782 -3.141 6.154 1.00 41.14 C ATOM 1475 C TYR A 92 2.308 -3.287 7.623 1.00 51.31 C ATOM 1476 O TYR A 92 1.206 -3.775 7.901 1.00 13.03 O ATOM 1477 CB TYR A 92 3.686 -4.331 5.743 1.00 4.31 C ATOM 1478 CG TYR A 92 3.070 -5.731 5.932 1.00 3.30 C ATOM 1479 CD1 TYR A 92 3.797 -6.767 6.533 1.00 44.05 C ATOM 1480 CD2 TYR A 92 1.766 -6.023 5.506 1.00 45.53 C ATOM 1481 CE1 TYR A 92 3.253 -8.025 6.695 1.00 21.33 C ATOM 1482 CE2 TYR A 92 1.219 -7.279 5.672 1.00 33.02 C ATOM 1483 CZ TYR A 92 1.965 -8.277 6.264 1.00 23.21 C ATOM 1484 OH TYR A 92 1.425 -9.534 6.420 1.00 24.14 O ATOM 0 H TYR A 92 4.475 -1.948 5.756 1.00 23.44 H new ATOM 0 HA TYR A 92 1.915 -3.152 5.494 1.00 41.14 H new ATOM 0 HB2 TYR A 92 3.958 -4.212 4.694 1.00 4.31 H new ATOM 0 HB3 TYR A 92 4.609 -4.279 6.320 1.00 4.31 H new ATOM 0 HD1 TYR A 92 4.803 -6.577 6.876 1.00 44.05 H new ATOM 0 HD2 TYR A 92 1.177 -5.248 5.038 1.00 45.53 H new ATOM 0 HE1 TYR A 92 3.833 -8.810 7.157 1.00 21.33 H new ATOM 0 HE2 TYR A 92 0.211 -7.480 5.340 1.00 33.02 H new ATOM 0 HH TYR A 92 0.815 -9.722 5.677 1.00 24.14 H new ATOM 1494 N LYS A 93 3.168 -2.807 8.542 1.00 31.22 N ATOM 1495 CA LYS A 93 2.895 -2.785 9.984 1.00 54.42 C ATOM 1496 C LYS A 93 1.861 -1.689 10.326 1.00 4.53 C ATOM 1497 O LYS A 93 1.124 -1.821 11.295 1.00 25.42 O ATOM 1498 CB LYS A 93 4.215 -2.559 10.764 1.00 32.44 C ATOM 1499 CG LYS A 93 4.055 -2.475 12.301 1.00 23.51 C ATOM 1500 CD LYS A 93 5.388 -2.210 13.034 1.00 75.33 C ATOM 1501 CE LYS A 93 6.082 -0.918 12.569 1.00 12.51 C ATOM 1502 NZ LYS A 93 7.357 -0.679 13.294 1.00 24.52 N ATOM 0 H LYS A 93 4.080 -2.421 8.297 1.00 31.22 H new ATOM 0 HA LYS A 93 2.474 -3.746 10.279 1.00 54.42 H new ATOM 0 HB2 LYS A 93 4.903 -3.371 10.528 1.00 32.44 H new ATOM 0 HB3 LYS A 93 4.676 -1.637 10.410 1.00 32.44 H new ATOM 0 HG2 LYS A 93 3.349 -1.681 12.544 1.00 23.51 H new ATOM 0 HG3 LYS A 93 3.625 -3.407 12.667 1.00 23.51 H new ATOM 0 HD2 LYS A 93 5.201 -2.150 14.106 1.00 75.33 H new ATOM 0 HD3 LYS A 93 6.059 -3.054 12.874 1.00 75.33 H new ATOM 0 HE2 LYS A 93 6.279 -0.977 11.499 1.00 12.51 H new ATOM 0 HE3 LYS A 93 5.413 -0.071 12.723 1.00 12.51 H new ATOM 0 HZ1 LYS A 93 7.792 0.201 12.951 1.00 24.52 H new ATOM 0 HZ2 LYS A 93 7.167 -0.596 14.313 1.00 24.52 H new ATOM 0 HZ3 LYS A 93 8.006 -1.474 13.126 1.00 24.52 H new ATOM 1516 N PHE A 94 1.817 -0.614 9.511 1.00 61.55 N ATOM 1517 CA PHE A 94 0.870 0.505 9.702 1.00 30.44 C ATOM 1518 C PHE A 94 -0.574 0.031 9.480 1.00 33.31 C ATOM 1519 O PHE A 94 -1.443 0.252 10.336 1.00 72.34 O ATOM 1520 CB PHE A 94 1.230 1.696 8.763 1.00 73.21 C ATOM 1521 CG PHE A 94 0.216 2.844 8.772 1.00 63.23 C ATOM 1522 CD1 PHE A 94 -0.654 3.048 7.698 1.00 12.40 C ATOM 1523 CD2 PHE A 94 0.116 3.702 9.865 1.00 32.13 C ATOM 1524 CE1 PHE A 94 -1.586 4.066 7.720 1.00 35.45 C ATOM 1525 CE2 PHE A 94 -0.813 4.720 9.881 1.00 40.32 C ATOM 1526 CZ PHE A 94 -1.665 4.903 8.811 1.00 23.44 C ATOM 0 H PHE A 94 2.433 -0.497 8.707 1.00 61.55 H new ATOM 0 HA PHE A 94 0.950 0.859 10.730 1.00 30.44 H new ATOM 0 HB2 PHE A 94 2.205 2.088 9.052 1.00 73.21 H new ATOM 0 HB3 PHE A 94 1.326 1.322 7.744 1.00 73.21 H new ATOM 0 HD1 PHE A 94 -0.596 2.399 6.837 1.00 12.40 H new ATOM 0 HD2 PHE A 94 0.775 3.568 10.710 1.00 32.13 H new ATOM 0 HE1 PHE A 94 -2.253 4.206 6.882 1.00 35.45 H new ATOM 0 HE2 PHE A 94 -0.874 5.378 10.735 1.00 40.32 H new ATOM 0 HZ PHE A 94 -2.392 5.701 8.829 1.00 23.44 H new ATOM 1536 N ILE A 95 -0.809 -0.671 8.345 1.00 1.44 N ATOM 1537 CA ILE A 95 -2.157 -1.166 7.987 1.00 25.20 C ATOM 1538 C ILE A 95 -2.583 -2.353 8.893 1.00 13.11 C ATOM 1539 O ILE A 95 -3.703 -2.843 8.777 1.00 63.44 O ATOM 1540 CB ILE A 95 -2.313 -1.512 6.442 1.00 21.30 C ATOM 1541 CG1 ILE A 95 -1.743 -2.931 6.073 1.00 41.12 C ATOM 1542 CG2 ILE A 95 -1.725 -0.371 5.573 1.00 21.15 C ATOM 1543 CD1 ILE A 95 -1.561 -3.206 4.589 1.00 41.30 C ATOM 0 H ILE A 95 -0.085 -0.905 7.666 1.00 1.44 H new ATOM 0 HA ILE A 95 -2.844 -0.340 8.173 1.00 25.20 H new ATOM 0 HB ILE A 95 -3.378 -1.577 6.219 1.00 21.30 H new ATOM 0 HG12 ILE A 95 -0.779 -3.054 6.567 1.00 41.12 H new ATOM 0 HG13 ILE A 95 -2.411 -3.688 6.484 1.00 41.12 H new ATOM 0 HG21 ILE A 95 -1.839 -0.621 4.518 1.00 21.15 H new ATOM 0 HG22 ILE A 95 -2.255 0.558 5.785 1.00 21.15 H new ATOM 0 HG23 ILE A 95 -0.667 -0.246 5.804 1.00 21.15 H new ATOM 0 HD11 ILE A 95 -1.163 -4.211 4.451 1.00 41.30 H new ATOM 0 HD12 ILE A 95 -2.523 -3.124 4.083 1.00 41.30 H new ATOM 0 HD13 ILE A 95 -0.866 -2.480 4.167 1.00 41.30 H new ATOM 1555 N THR A 96 -1.687 -2.801 9.801 1.00 15.24 N ATOM 1556 CA THR A 96 -2.005 -3.812 10.821 1.00 61.23 C ATOM 1557 C THR A 96 -2.003 -3.190 12.245 1.00 54.32 C ATOM 1558 O THR A 96 -2.577 -3.781 13.166 1.00 52.03 O ATOM 1559 CB THR A 96 -0.981 -4.996 10.775 1.00 51.21 C ATOM 1560 OG1 THR A 96 0.351 -4.487 10.784 1.00 42.10 O ATOM 1561 CG2 THR A 96 -1.151 -5.891 9.542 1.00 11.22 C ATOM 0 H THR A 96 -0.724 -2.468 9.843 1.00 15.24 H new ATOM 0 HA THR A 96 -3.002 -4.192 10.599 1.00 61.23 H new ATOM 0 HB THR A 96 -1.176 -5.604 11.658 1.00 51.21 H new ATOM 0 HG1 THR A 96 0.346 -3.563 11.112 1.00 42.10 H new ATOM 0 HG21 THR A 96 -0.412 -6.692 9.569 1.00 11.22 H new ATOM 0 HG22 THR A 96 -2.153 -6.321 9.540 1.00 11.22 H new ATOM 0 HG23 THR A 96 -1.009 -5.297 8.639 1.00 11.22 H new