USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 576 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 70 LYS NZ :NH3+ 163:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -116:sc= -0.609 (180deg=-1.83) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 156:sc= -0.156 (180deg=-0.651) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.307 K(o=-0.31,f=-1.5) USER MOD Single : A 61 SER OG : rot 11:sc= 0.591 USER MOD Single : A 68 SER OG : rot 140:sc= -1.43 USER MOD Single : A 78 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.1) USER MOD Single : A 80 HIS : no HE2:sc= -3.06! C(o=-3.1!,f=-4.5!) USER MOD Single : A 84 ASN : amide:sc= -0.294 K(o=-0.29,f=-5.8!) USER MOD Single : A 86 CYS SG : rot -80:sc= 0.363 USER MOD Single : A 93 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0.038) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.342 F(o=-1.1,f=-0.34) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 14:sc= -0.981! USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 106 GLN : amide:sc= -0.0474 K(o=-0.047,f=-2.4!) USER MOD Single : A 108 THR OG1 : rot 90:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.623 7.704 -3.236 1.00 0.00 N ATOM 428 CA SER A 31 -10.955 7.133 -3.063 1.00 0.00 C ATOM 429 C SER A 31 -10.889 5.837 -2.261 1.00 0.00 C ATOM 430 O SER A 31 -9.869 5.149 -2.256 1.00 0.00 O ATOM 431 CB SER A 31 -11.601 6.872 -4.424 1.00 0.00 C ATOM 432 OG SER A 31 -12.308 8.013 -4.881 1.00 0.00 O ATOM 0 HA SER A 31 -11.563 7.850 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.833 6.602 -5.149 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.282 6.024 -4.350 1.00 0.00 H new ATOM 0 HG SER A 31 -12.710 7.821 -5.754 1.00 0.00 H new ATOM 438 N ALA A 32 -11.986 5.511 -1.584 1.00 0.00 N ATOM 439 CA ALA A 32 -12.054 4.298 -0.779 1.00 0.00 C ATOM 440 C ALA A 32 -12.067 3.053 -1.660 1.00 0.00 C ATOM 441 O ALA A 32 -11.266 2.138 -1.471 1.00 0.00 O ATOM 442 CB ALA A 32 -13.283 4.327 0.115 1.00 0.00 C ATOM 0 H ALA A 32 -12.839 6.070 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.163 4.257 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.321 3.415 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.231 5.191 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.180 4.396 -0.501 1.00 0.00 H new ATOM 448 N ASP A 33 -12.982 3.026 -2.623 1.00 0.00 N ATOM 449 CA ASP A 33 -13.100 1.893 -3.533 1.00 0.00 C ATOM 450 C ASP A 33 -11.815 1.700 -4.332 1.00 0.00 C ATOM 451 O ASP A 33 -11.454 0.576 -4.682 1.00 0.00 O ATOM 452 CB ASP A 33 -14.279 2.099 -4.485 1.00 0.00 C ATOM 453 CG ASP A 33 -15.011 0.806 -4.787 1.00 0.00 C ATOM 454 OD1 ASP A 33 -15.946 0.462 -4.033 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.650 0.136 -5.778 1.00 0.00 O ATOM 0 H ASP A 33 -13.652 3.776 -2.793 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.274 0.997 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.976 2.814 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.918 2.535 -5.417 1.00 0.00 H new ATOM 460 N TYR A 34 -11.129 2.801 -4.617 1.00 0.00 N ATOM 461 CA TYR A 34 -9.884 2.752 -5.375 1.00 0.00 C ATOM 462 C TYR A 34 -8.836 1.917 -4.647 1.00 0.00 C ATOM 463 O TYR A 34 -8.279 0.974 -5.211 1.00 0.00 O ATOM 464 CB TYR A 34 -9.351 4.167 -5.611 1.00 0.00 C ATOM 465 CG TYR A 34 -8.079 4.207 -6.429 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.995 3.548 -7.649 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.965 4.904 -5.981 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.835 3.582 -8.399 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.801 4.942 -6.725 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.742 4.280 -7.933 1.00 0.00 C ATOM 471 OH TYR A 34 -4.585 4.316 -8.678 1.00 0.00 O ATOM 0 H TYR A 34 -11.414 3.739 -4.335 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.092 2.283 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.117 4.755 -6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.168 4.643 -4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.850 3.000 -8.017 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.009 5.425 -5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.785 3.064 -9.345 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.942 5.487 -6.362 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.911 4.851 -8.209 1.00 0.00 H new ATOM 481 N LEU A 35 -8.571 2.269 -3.394 1.00 0.00 N ATOM 482 CA LEU A 35 -7.589 1.551 -2.589 1.00 0.00 C ATOM 483 C LEU A 35 -8.008 0.098 -2.387 1.00 0.00 C ATOM 484 O LEU A 35 -7.181 -0.811 -2.451 1.00 0.00 O ATOM 485 CB LEU A 35 -7.411 2.237 -1.234 1.00 0.00 C ATOM 486 CG LEU A 35 -6.942 3.691 -1.300 1.00 0.00 C ATOM 487 CD1 LEU A 35 -6.827 4.280 0.097 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.612 3.787 -2.034 1.00 0.00 C ATOM 0 H LEU A 35 -9.022 3.047 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.639 1.564 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.360 2.201 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.692 1.666 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.683 4.268 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.492 5.315 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.800 4.245 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.107 3.703 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.292 4.828 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.862 3.196 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.728 3.405 -3.048 1.00 0.00 H new ATOM 500 N ARG A 36 -9.298 -0.112 -2.141 1.00 0.00 N ATOM 501 CA ARG A 36 -9.827 -1.454 -1.929 1.00 0.00 C ATOM 502 C ARG A 36 -9.603 -2.329 -3.158 1.00 0.00 C ATOM 503 O ARG A 36 -8.936 -3.361 -3.085 1.00 0.00 O ATOM 504 CB ARG A 36 -11.318 -1.391 -1.598 1.00 0.00 C ATOM 505 CG ARG A 36 -11.938 -2.751 -1.324 1.00 0.00 C ATOM 506 CD ARG A 36 -13.250 -2.622 -0.567 1.00 0.00 C ATOM 507 NE ARG A 36 -14.361 -2.277 -1.452 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.639 -2.300 -1.080 1.00 0.00 C ATOM 509 NH1 ARG A 36 -15.972 -2.651 0.155 1.00 0.00 N ATOM 510 NH2 ARG A 36 -16.587 -1.971 -1.946 1.00 0.00 N ATOM 0 H ARG A 36 -9.995 0.630 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.294 -1.898 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.461 -0.753 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.846 -0.921 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.110 -3.270 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.242 -3.360 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.469 -3.561 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.150 -1.858 0.204 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.144 -2.003 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.247 -2.905 0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.953 -2.667 0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.337 -1.700 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.566 -1.989 -1.661 1.00 0.00 H new ATOM 524 N GLU A 37 -10.166 -1.910 -4.287 1.00 0.00 N ATOM 525 CA GLU A 37 -10.027 -2.654 -5.533 1.00 0.00 C ATOM 526 C GLU A 37 -8.562 -2.776 -5.936 1.00 0.00 C ATOM 527 O GLU A 37 -8.143 -3.792 -6.492 1.00 0.00 O ATOM 528 CB GLU A 37 -10.820 -1.971 -6.649 1.00 0.00 C ATOM 529 CG GLU A 37 -12.325 -2.023 -6.448 1.00 0.00 C ATOM 530 CD GLU A 37 -12.978 -3.149 -7.225 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.856 -3.162 -8.468 1.00 0.00 O ATOM 532 OE2 GLU A 37 -13.614 -4.017 -6.590 1.00 0.00 O ATOM 0 H GLU A 37 -10.723 -1.059 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.424 -3.656 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.507 -0.929 -6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.573 -2.443 -7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.542 -2.145 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.762 -1.073 -6.756 1.00 0.00 H new ATOM 539 N LYS A 38 -7.787 -1.736 -5.651 1.00 0.00 N ATOM 540 CA LYS A 38 -6.367 -1.726 -5.984 1.00 0.00 C ATOM 541 C LYS A 38 -5.623 -2.822 -5.228 1.00 0.00 C ATOM 542 O LYS A 38 -5.021 -3.709 -5.833 1.00 0.00 O ATOM 543 CB LYS A 38 -5.755 -0.362 -5.663 1.00 0.00 C ATOM 544 CG LYS A 38 -4.303 -0.231 -6.093 1.00 0.00 C ATOM 545 CD LYS A 38 -3.844 1.218 -6.069 1.00 0.00 C ATOM 546 CE LYS A 38 -2.571 1.412 -6.879 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.772 1.083 -8.316 1.00 0.00 N ATOM 0 H LYS A 38 -8.118 -0.888 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.269 -1.917 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.342 0.415 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.825 -0.185 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.672 -0.825 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.182 -0.636 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.632 1.857 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.672 1.530 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.236 2.445 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.781 0.783 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.066 1.587 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.664 0.058 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.727 1.373 -8.608 1.00 0.00 H new ATOM 561 N LEU A 39 -5.669 -2.755 -3.902 1.00 0.00 N ATOM 562 CA LEU A 39 -4.998 -3.741 -3.062 1.00 0.00 C ATOM 563 C LEU A 39 -5.609 -5.126 -3.259 1.00 0.00 C ATOM 564 O LEU A 39 -4.905 -6.135 -3.224 1.00 0.00 O ATOM 565 CB LEU A 39 -5.090 -3.335 -1.590 1.00 0.00 C ATOM 566 CG LEU A 39 -4.631 -1.909 -1.283 1.00 0.00 C ATOM 567 CD1 LEU A 39 -5.191 -1.447 0.054 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.113 -1.826 -1.285 1.00 0.00 C ATOM 0 H LEU A 39 -6.164 -2.028 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.949 -3.780 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.123 -3.447 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.491 -4.028 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.011 -1.248 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.855 -0.430 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.280 -1.469 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.840 -2.110 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.804 -0.804 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.711 -2.498 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.734 -2.116 -2.265 1.00 0.00 H new ATOM 580 N ARG A 40 -6.920 -5.164 -3.466 1.00 0.00 N ATOM 581 CA ARG A 40 -7.627 -6.424 -3.669 1.00 0.00 C ATOM 582 C ARG A 40 -7.081 -7.168 -4.873 1.00 0.00 C ATOM 583 O ARG A 40 -6.729 -8.345 -4.780 1.00 0.00 O ATOM 584 CB ARG A 40 -9.125 -6.172 -3.846 1.00 0.00 C ATOM 585 CG ARG A 40 -9.960 -7.442 -3.846 1.00 0.00 C ATOM 586 CD ARG A 40 -11.273 -7.245 -4.585 1.00 0.00 C ATOM 587 NE ARG A 40 -11.133 -7.469 -6.023 1.00 0.00 N ATOM 588 CZ ARG A 40 -12.129 -7.335 -6.895 1.00 0.00 C ATOM 589 NH1 ARG A 40 -13.339 -6.978 -6.481 1.00 0.00 N ATOM 590 NH2 ARG A 40 -11.916 -7.558 -8.184 1.00 0.00 N ATOM 0 H ARG A 40 -7.516 -4.337 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.472 -7.042 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.472 -5.519 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.287 -5.641 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.396 -8.249 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.161 -7.746 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.021 -7.929 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.639 -6.233 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.218 -7.744 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.509 -6.805 -5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.099 -6.877 -7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.988 -7.832 -8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.680 -7.455 -8.852 1.00 0.00 H new ATOM 604 N GLN A 41 -7.013 -6.484 -6.000 1.00 0.00 N ATOM 605 CA GLN A 41 -6.511 -7.093 -7.218 1.00 0.00 C ATOM 606 C GLN A 41 -4.992 -7.226 -7.178 1.00 0.00 C ATOM 607 O GLN A 41 -4.437 -8.248 -7.581 1.00 0.00 O ATOM 608 CB GLN A 41 -6.936 -6.277 -8.441 1.00 0.00 C ATOM 609 CG GLN A 41 -8.443 -6.131 -8.580 1.00 0.00 C ATOM 610 CD GLN A 41 -8.909 -6.249 -10.019 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.109 -5.245 -10.702 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.085 -7.481 -10.485 1.00 0.00 N ATOM 0 H GLN A 41 -7.298 -5.510 -6.098 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.941 -8.092 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.487 -5.286 -8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.541 -6.751 -9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.936 -6.895 -7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.749 -5.164 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.907 -8.284 -9.882 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.398 -7.623 -11.445 1.00 0.00 H new ATOM 621 N ASP A 42 -4.323 -6.186 -6.688 1.00 0.00 N ATOM 622 CA ASP A 42 -2.867 -6.188 -6.596 1.00 0.00 C ATOM 623 C ASP A 42 -2.379 -7.338 -5.719 1.00 0.00 C ATOM 624 O ASP A 42 -1.513 -8.113 -6.123 1.00 0.00 O ATOM 625 CB ASP A 42 -2.371 -4.855 -6.032 1.00 0.00 C ATOM 626 CG ASP A 42 -0.888 -4.648 -6.266 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.121 -5.624 -6.127 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.491 -3.507 -6.586 1.00 0.00 O ATOM 0 H ASP A 42 -4.766 -5.332 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.463 -6.324 -7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.927 -4.039 -6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.577 -4.816 -4.962 1.00 0.00 H new ATOM 633 N LEU A 43 -2.942 -7.441 -4.520 1.00 0.00 N ATOM 634 CA LEU A 43 -2.566 -8.495 -3.586 1.00 0.00 C ATOM 635 C LEU A 43 -3.357 -9.774 -3.851 1.00 0.00 C ATOM 636 O LEU A 43 -2.944 -10.863 -3.453 1.00 0.00 O ATOM 637 CB LEU A 43 -2.791 -8.033 -2.146 1.00 0.00 C ATOM 638 CG LEU A 43 -1.880 -6.894 -1.682 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.619 -5.976 -0.721 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.623 -7.451 -1.030 1.00 0.00 C ATOM 0 H LEU A 43 -3.661 -6.807 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.508 -8.710 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.828 -7.715 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.650 -8.885 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.586 -6.310 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.955 -5.173 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.489 -5.551 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.943 -6.546 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.014 -6.628 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.899 -8.058 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.082 -8.067 -1.749 1.00 0.00 H new ATOM 652 N GLU A 44 -4.497 -9.636 -4.524 1.00 0.00 N ATOM 653 CA GLU A 44 -5.343 -10.783 -4.839 1.00 0.00 C ATOM 654 C GLU A 44 -5.865 -11.439 -3.565 1.00 0.00 C ATOM 655 O GLU A 44 -5.355 -12.472 -3.131 1.00 0.00 O ATOM 656 CB GLU A 44 -4.567 -11.805 -5.674 1.00 0.00 C ATOM 657 CG GLU A 44 -4.726 -11.613 -7.173 1.00 0.00 C ATOM 658 CD GLU A 44 -4.755 -12.928 -7.929 1.00 0.00 C ATOM 659 OE1 GLU A 44 -5.652 -13.752 -7.653 1.00 0.00 O ATOM 660 OE2 GLU A 44 -3.880 -13.132 -8.796 1.00 0.00 O ATOM 0 H GLU A 44 -4.855 -8.742 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.195 -10.426 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.509 -11.742 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.901 -12.808 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.647 -11.064 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.905 -11.001 -7.547 1.00 0.00 H new ATOM 667 N ALA A 45 -6.885 -10.830 -2.969 1.00 0.00 N ATOM 668 CA ALA A 45 -7.478 -11.353 -1.744 1.00 0.00 C ATOM 669 C ALA A 45 -8.852 -11.956 -2.013 1.00 0.00 C ATOM 670 O ALA A 45 -9.291 -12.036 -3.160 1.00 0.00 O ATOM 671 CB ALA A 45 -7.577 -10.254 -0.697 1.00 0.00 C ATOM 0 H ALA A 45 -7.318 -9.974 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.832 -12.145 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.021 -10.657 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.581 -9.872 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.200 -9.444 -1.077 1.00 0.00 H new ATOM 677 N GLU A 46 -9.526 -12.379 -0.949 1.00 0.00 N ATOM 678 CA GLU A 46 -10.851 -12.975 -1.070 1.00 0.00 C ATOM 679 C GLU A 46 -11.937 -11.964 -0.716 1.00 0.00 C ATOM 680 O GLU A 46 -12.859 -11.729 -1.496 1.00 0.00 O ATOM 681 CB GLU A 46 -10.966 -14.203 -0.166 1.00 0.00 C ATOM 682 CG GLU A 46 -12.039 -15.184 -0.608 1.00 0.00 C ATOM 683 CD GLU A 46 -13.393 -14.884 0.004 1.00 0.00 C ATOM 684 OE1 GLU A 46 -13.462 -14.721 1.241 1.00 0.00 O ATOM 685 OE2 GLU A 46 -14.383 -14.810 -0.751 1.00 0.00 O ATOM 0 H GLU A 46 -9.176 -12.320 0.007 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.990 -13.282 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.005 -14.716 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.181 -13.876 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.122 -15.160 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.737 -16.195 -0.334 1.00 0.00 H new ATOM 692 N HIS A 47 -11.820 -11.369 0.467 1.00 0.00 N ATOM 693 CA HIS A 47 -12.791 -10.384 0.925 1.00 0.00 C ATOM 694 C HIS A 47 -12.092 -9.133 1.448 1.00 0.00 C ATOM 695 O HIS A 47 -11.229 -9.211 2.323 1.00 0.00 O ATOM 696 CB HIS A 47 -13.677 -10.982 2.020 1.00 0.00 C ATOM 697 CG HIS A 47 -15.097 -10.509 1.965 1.00 0.00 C ATOM 698 ND1 HIS A 47 -15.461 -9.273 1.474 1.00 0.00 N ATOM 699 CD2 HIS A 47 -16.249 -11.115 2.342 1.00 0.00 C ATOM 700 CE1 HIS A 47 -16.773 -9.139 1.552 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.275 -10.242 2.075 1.00 0.00 N ATOM 0 H HIS A 47 -11.062 -11.552 1.125 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.414 -10.102 0.076 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.661 -12.069 1.936 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.256 -10.731 2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -16.343 -12.101 2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -17.339 -8.273 1.241 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -18.264 -10.417 2.252 1.00 0.00 H new ATOM 710 N VAL A 48 -12.471 -7.980 0.906 1.00 0.00 N ATOM 711 CA VAL A 48 -11.880 -6.712 1.318 1.00 0.00 C ATOM 712 C VAL A 48 -12.953 -5.724 1.762 1.00 0.00 C ATOM 713 O VAL A 48 -14.084 -5.762 1.277 1.00 0.00 O ATOM 714 CB VAL A 48 -11.057 -6.080 0.180 1.00 0.00 C ATOM 715 CG1 VAL A 48 -9.752 -6.835 -0.020 1.00 0.00 C ATOM 716 CG2 VAL A 48 -11.865 -6.046 -1.108 1.00 0.00 C ATOM 0 H VAL A 48 -13.184 -7.898 0.181 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.219 -6.929 2.157 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.816 -5.054 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.185 -6.373 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.167 -6.801 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.967 -7.873 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.267 -5.596 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.139 -7.062 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.768 -5.456 -0.955 1.00 0.00 H new ATOM 726 N GLU A 49 -12.591 -4.842 2.687 1.00 0.00 N ATOM 727 CA GLU A 49 -13.523 -3.843 3.198 1.00 0.00 C ATOM 728 C GLU A 49 -12.818 -2.512 3.435 1.00 0.00 C ATOM 729 O GLU A 49 -11.803 -2.452 4.129 1.00 0.00 O ATOM 730 CB GLU A 49 -14.165 -4.332 4.497 1.00 0.00 C ATOM 731 CG GLU A 49 -15.433 -5.143 4.281 1.00 0.00 C ATOM 732 CD GLU A 49 -15.190 -6.637 4.377 1.00 0.00 C ATOM 733 OE1 GLU A 49 -15.257 -7.179 5.501 1.00 0.00 O ATOM 734 OE2 GLU A 49 -14.936 -7.266 3.328 1.00 0.00 O ATOM 0 H GLU A 49 -11.659 -4.798 3.099 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.302 -3.693 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.443 -4.940 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.396 -3.471 5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.178 -4.851 5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.848 -4.908 3.301 1.00 0.00 H new ATOM 741 N VAL A 50 -13.362 -1.448 2.853 1.00 0.00 N ATOM 742 CA VAL A 50 -12.785 -0.117 3.002 1.00 0.00 C ATOM 743 C VAL A 50 -13.778 0.843 3.647 1.00 0.00 C ATOM 744 O VAL A 50 -14.992 0.682 3.511 1.00 0.00 O ATOM 745 CB VAL A 50 -12.335 0.455 1.643 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.522 0.599 0.701 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.628 1.789 1.829 1.00 0.00 C ATOM 0 H VAL A 50 -14.201 -1.482 2.274 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.914 -0.219 3.649 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.629 -0.244 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.183 1.004 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.978 -0.378 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.256 1.274 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.319 2.175 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.307 2.498 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.751 1.651 2.461 1.00 0.00 H new ATOM 757 N GLU A 51 -13.257 1.843 4.351 1.00 0.00 N ATOM 758 CA GLU A 51 -14.098 2.830 5.016 1.00 0.00 C ATOM 759 C GLU A 51 -13.620 4.245 4.716 1.00 0.00 C ATOM 760 O GLU A 51 -12.470 4.455 4.332 1.00 0.00 O ATOM 761 CB GLU A 51 -14.104 2.591 6.528 1.00 0.00 C ATOM 762 CG GLU A 51 -15.194 3.356 7.261 1.00 0.00 C ATOM 763 CD GLU A 51 -16.588 2.958 6.812 1.00 0.00 C ATOM 764 OE1 GLU A 51 -16.984 3.347 5.694 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.280 2.257 7.580 1.00 0.00 O ATOM 0 H GLU A 51 -12.255 1.991 4.475 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.113 2.721 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.229 1.525 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.134 2.876 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.098 3.181 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.055 4.425 7.098 1.00 0.00 H new ATOM 772 N ASP A 52 -14.514 5.212 4.889 1.00 0.00 N ATOM 773 CA ASP A 52 -14.188 6.609 4.633 1.00 0.00 C ATOM 774 C ASP A 52 -15.004 7.529 5.536 1.00 0.00 C ATOM 775 O ASP A 52 -16.234 7.497 5.524 1.00 0.00 O ATOM 776 CB ASP A 52 -14.448 6.946 3.162 1.00 0.00 C ATOM 777 CG ASP A 52 -14.208 8.411 2.847 1.00 0.00 C ATOM 778 OD1 ASP A 52 -13.418 9.053 3.572 1.00 0.00 O ATOM 779 OD2 ASP A 52 -14.808 8.915 1.875 1.00 0.00 O ATOM 0 H ASP A 52 -15.471 5.053 5.206 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.132 6.763 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.803 6.333 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.477 6.688 2.910 1.00 0.00 H new ATOM 904 N SER A 61 -8.413 10.503 6.022 1.00 0.00 N ATOM 905 CA SER A 61 -8.489 9.328 6.883 1.00 0.00 C ATOM 906 C SER A 61 -9.236 8.192 6.190 1.00 0.00 C ATOM 907 O SER A 61 -10.426 8.304 5.901 1.00 0.00 O ATOM 908 CB SER A 61 -9.181 9.679 8.202 1.00 0.00 C ATOM 909 OG SER A 61 -8.997 11.047 8.525 1.00 0.00 O ATOM 0 HA SER A 61 -7.472 8.996 7.092 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.246 9.460 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.782 9.056 9.003 1.00 0.00 H new ATOM 0 HG SER A 61 -8.620 11.518 7.753 1.00 0.00 H new ATOM 915 N PHE A 62 -8.527 7.098 5.928 1.00 0.00 N ATOM 916 CA PHE A 62 -9.122 5.942 5.269 1.00 0.00 C ATOM 917 C PHE A 62 -8.719 4.648 5.968 1.00 0.00 C ATOM 918 O PHE A 62 -7.708 4.598 6.668 1.00 0.00 O ATOM 919 CB PHE A 62 -8.702 5.893 3.799 1.00 0.00 C ATOM 920 CG PHE A 62 -9.378 6.929 2.947 1.00 0.00 C ATOM 921 CD1 PHE A 62 -10.686 6.752 2.527 1.00 0.00 C ATOM 922 CD2 PHE A 62 -8.704 8.077 2.564 1.00 0.00 C ATOM 923 CE1 PHE A 62 -11.311 7.704 1.742 1.00 0.00 C ATOM 924 CE2 PHE A 62 -9.323 9.031 1.779 1.00 0.00 C ATOM 925 CZ PHE A 62 -10.628 8.844 1.368 1.00 0.00 C ATOM 0 H PHE A 62 -7.540 6.989 6.162 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.206 6.042 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.622 6.028 3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.924 4.904 3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.224 5.861 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.683 8.228 2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -12.332 7.556 1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.787 9.922 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 62 -11.114 9.589 0.755 1.00 0.00 H new ATOM 935 N ARG A 63 -9.517 3.602 5.772 1.00 0.00 N ATOM 936 CA ARG A 63 -9.243 2.307 6.382 1.00 0.00 C ATOM 937 C ARG A 63 -9.317 1.191 5.344 1.00 0.00 C ATOM 938 O ARG A 63 -10.306 1.067 4.622 1.00 0.00 O ATOM 939 CB ARG A 63 -10.236 2.033 7.513 1.00 0.00 C ATOM 940 CG ARG A 63 -10.123 3.009 8.672 1.00 0.00 C ATOM 941 CD ARG A 63 -11.412 3.075 9.474 1.00 0.00 C ATOM 942 NE ARG A 63 -11.225 3.747 10.758 1.00 0.00 N ATOM 943 CZ ARG A 63 -12.194 3.914 11.655 1.00 0.00 C ATOM 944 NH1 ARG A 63 -13.417 3.460 11.414 1.00 0.00 N ATOM 945 NH2 ARG A 63 -11.938 4.536 12.797 1.00 0.00 N ATOM 0 H ARG A 63 -10.358 3.627 5.195 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.233 2.332 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.249 2.073 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.080 1.020 7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.303 2.708 9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.879 4.001 8.291 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.172 3.602 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.785 2.065 9.644 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.298 4.109 10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.619 2.980 10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.155 3.591 12.106 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.999 4.886 12.988 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.680 4.665 13.485 1.00 0.00 H new ATOM 959 N VAL A 64 -8.264 0.384 5.275 1.00 0.00 N ATOM 960 CA VAL A 64 -8.210 -0.721 4.324 1.00 0.00 C ATOM 961 C VAL A 64 -8.240 -2.067 5.040 1.00 0.00 C ATOM 962 O VAL A 64 -7.465 -2.307 5.966 1.00 0.00 O ATOM 963 CB VAL A 64 -6.944 -0.648 3.449 1.00 0.00 C ATOM 964 CG1 VAL A 64 -6.977 0.588 2.563 1.00 0.00 C ATOM 965 CG2 VAL A 64 -5.694 -0.659 4.315 1.00 0.00 C ATOM 0 H VAL A 64 -7.437 0.474 5.865 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.090 -0.631 3.687 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.919 -1.527 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.075 0.622 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.852 0.548 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.028 1.481 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.810 -0.607 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.709 0.199 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.665 -1.578 4.901 1.00 0.00 H new ATOM 975 N LEU A 65 -9.141 -2.942 4.605 1.00 0.00 N ATOM 976 CA LEU A 65 -9.274 -4.265 5.203 1.00 0.00 C ATOM 977 C LEU A 65 -9.175 -5.354 4.140 1.00 0.00 C ATOM 978 O LEU A 65 -9.661 -5.188 3.021 1.00 0.00 O ATOM 979 CB LEU A 65 -10.608 -4.379 5.945 1.00 0.00 C ATOM 980 CG LEU A 65 -10.647 -5.439 7.047 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.595 -6.837 6.448 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.501 -5.231 8.027 1.00 0.00 C ATOM 0 H LEU A 65 -9.790 -2.758 3.840 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.458 -4.401 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.846 -3.410 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.392 -4.601 5.221 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.586 -5.336 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.624 -7.577 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.451 -6.982 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.673 -6.955 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.544 -5.994 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.551 -5.306 7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.586 -4.244 8.482 1.00 0.00 H new ATOM 994 N VAL A 66 -8.541 -6.467 4.495 1.00 0.00 N ATOM 995 CA VAL A 66 -8.377 -7.580 3.568 1.00 0.00 C ATOM 996 C VAL A 66 -8.388 -8.917 4.302 1.00 0.00 C ATOM 997 O VAL A 66 -7.789 -9.056 5.369 1.00 0.00 O ATOM 998 CB VAL A 66 -7.067 -7.457 2.768 1.00 0.00 C ATOM 999 CG1 VAL A 66 -7.001 -8.520 1.681 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.935 -6.065 2.171 1.00 0.00 C ATOM 0 H VAL A 66 -8.133 -6.622 5.417 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.220 -7.542 2.879 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.231 -7.616 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.068 -8.416 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.045 -9.509 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.843 -8.397 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.003 -5.997 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.776 -5.874 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.931 -5.325 2.971 1.00 0.00 H new ATOM 1010 N VAL A 67 -9.070 -9.898 3.721 1.00 0.00 N ATOM 1011 CA VAL A 67 -9.158 -11.226 4.314 1.00 0.00 C ATOM 1012 C VAL A 67 -8.867 -12.306 3.277 1.00 0.00 C ATOM 1013 O VAL A 67 -9.565 -12.415 2.268 1.00 0.00 O ATOM 1014 CB VAL A 67 -10.550 -11.477 4.925 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -10.575 -12.795 5.683 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.949 -10.324 5.834 1.00 0.00 C ATOM 0 H VAL A 67 -9.571 -9.797 2.838 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.410 -11.272 5.106 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.275 -11.540 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.567 -12.953 6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.338 -13.611 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.838 -12.767 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.935 -10.518 6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.221 -10.227 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.977 -9.399 5.258 1.00 0.00 H new ATOM 1026 N SER A 68 -7.834 -13.102 3.530 1.00 0.00 N ATOM 1027 CA SER A 68 -7.452 -14.171 2.614 1.00 0.00 C ATOM 1028 C SER A 68 -6.280 -14.973 3.171 1.00 0.00 C ATOM 1029 O SER A 68 -5.816 -14.726 4.283 1.00 0.00 O ATOM 1030 CB SER A 68 -7.088 -13.593 1.244 1.00 0.00 C ATOM 1031 OG SER A 68 -6.823 -12.203 1.330 1.00 0.00 O ATOM 0 H SER A 68 -7.247 -13.028 4.361 1.00 0.00 H new ATOM 0 HA SER A 68 -8.305 -14.841 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.213 -14.109 0.849 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.905 -13.768 0.544 1.00 0.00 H new ATOM 0 HG SER A 68 -6.058 -11.980 0.759 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.805 -15.937 2.387 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.687 -16.778 2.798 1.00 0.00 C ATOM 1039 C ALA A 69 -3.388 -16.354 2.117 1.00 0.00 C ATOM 1040 O ALA A 69 -2.301 -16.763 2.528 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.989 -18.238 2.496 1.00 0.00 C ATOM 0 H ALA A 69 -6.178 -16.155 1.463 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.554 -16.656 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.147 -18.856 2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.884 -18.544 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.153 -18.362 1.426 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.501 -15.535 1.075 1.00 0.00 N ATOM 1048 CA LYS A 70 -2.331 -15.062 0.344 1.00 0.00 C ATOM 1049 C LYS A 70 -1.335 -14.386 1.282 1.00 0.00 C ATOM 1050 O LYS A 70 -0.126 -14.422 1.051 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.752 -14.087 -0.758 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.784 -14.037 -1.930 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.938 -12.774 -1.904 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.384 -12.445 -3.281 1.00 0.00 C ATOM 1055 NZ LYS A 70 0.910 -13.135 -3.537 1.00 0.00 N ATOM 0 H LYS A 70 -4.391 -15.186 0.719 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.845 -15.926 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.739 -14.370 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.845 -13.088 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.134 -14.912 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.342 -14.083 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.540 -11.939 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.115 -12.901 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.108 -12.736 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.245 -11.367 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.112 -13.127 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.672 -12.643 -3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.851 -14.118 -3.204 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.851 -13.770 2.340 1.00 0.00 N ATOM 1070 CA PHE A 71 -1.008 -13.087 3.314 1.00 0.00 C ATOM 1071 C PHE A 71 -0.290 -14.088 4.214 1.00 0.00 C ATOM 1072 O PHE A 71 0.820 -13.832 4.681 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.847 -12.130 4.163 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.169 -10.837 3.470 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -1.172 -10.106 2.844 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.467 -10.355 3.443 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.466 -8.916 2.204 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.767 -9.167 2.805 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.764 -8.446 2.185 1.00 0.00 C ATOM 0 H PHE A 71 -2.849 -13.730 2.545 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.257 -12.516 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.777 -12.625 4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.312 -11.914 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.155 -10.469 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.254 -10.915 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.681 -8.355 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.783 -8.802 2.791 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.995 -7.516 1.686 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.931 -15.226 4.456 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.354 -16.265 5.301 1.00 0.00 C ATOM 1091 C GLU A 72 0.982 -16.745 4.741 1.00 0.00 C ATOM 1092 O GLU A 72 1.872 -17.145 5.490 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.324 -17.441 5.428 1.00 0.00 C ATOM 1094 CG GLU A 72 -2.037 -17.499 6.769 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.182 -18.113 7.859 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.482 -19.108 7.574 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.213 -17.601 8.997 1.00 0.00 O ATOM 0 H GLU A 72 -1.851 -15.453 4.079 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.177 -15.841 6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.067 -17.376 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.776 -18.371 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.328 -16.491 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.955 -18.078 6.663 1.00 0.00 H new ATOM 1104 N GLY A 73 1.115 -16.700 3.419 1.00 0.00 N ATOM 1105 CA GLY A 73 2.345 -17.133 2.783 1.00 0.00 C ATOM 1106 C GLY A 73 3.545 -16.323 3.233 1.00 0.00 C ATOM 1107 O GLY A 73 4.578 -16.882 3.600 1.00 0.00 O ATOM 0 H GLY A 73 0.393 -16.372 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.516 -18.186 3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.240 -17.051 1.701 1.00 0.00 H new ATOM 1111 N LYS A 74 3.409 -15.001 3.204 1.00 0.00 N ATOM 1112 CA LYS A 74 4.491 -14.112 3.613 1.00 0.00 C ATOM 1113 C LYS A 74 4.279 -13.621 5.043 1.00 0.00 C ATOM 1114 O LYS A 74 3.149 -13.563 5.527 1.00 0.00 O ATOM 1115 CB LYS A 74 4.584 -12.919 2.660 1.00 0.00 C ATOM 1116 CG LYS A 74 4.493 -13.304 1.193 1.00 0.00 C ATOM 1117 CD LYS A 74 4.569 -12.082 0.290 1.00 0.00 C ATOM 1118 CE LYS A 74 3.680 -12.238 -0.932 1.00 0.00 C ATOM 1119 NZ LYS A 74 2.247 -12.398 -0.561 1.00 0.00 N ATOM 0 H LYS A 74 2.561 -14.522 2.902 1.00 0.00 H new ATOM 0 HA LYS A 74 5.425 -14.673 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.785 -12.216 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.526 -12.399 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.302 -13.992 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.558 -13.834 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.269 -11.196 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.600 -11.925 -0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.793 -11.366 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.004 -13.104 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.915 -13.338 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.142 -12.301 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.681 -11.666 -1.037 1.00 0.00 H new ATOM 1133 N PRO A 75 5.369 -13.258 5.741 1.00 0.00 N ATOM 1134 CA PRO A 75 5.296 -12.769 7.122 1.00 0.00 C ATOM 1135 C PRO A 75 4.584 -11.424 7.222 1.00 0.00 C ATOM 1136 O PRO A 75 4.241 -10.815 6.209 1.00 0.00 O ATOM 1137 CB PRO A 75 6.764 -12.631 7.536 1.00 0.00 C ATOM 1138 CG PRO A 75 7.510 -12.483 6.256 1.00 0.00 C ATOM 1139 CD PRO A 75 6.755 -13.293 5.240 1.00 0.00 C ATOM 0 HA PRO A 75 4.725 -13.443 7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.913 -11.766 8.182 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.102 -13.506 8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.567 -11.437 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.534 -12.842 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.833 -12.861 4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.134 -14.313 5.176 1.00 0.00 H new ATOM 1147 N LEU A 76 4.363 -10.967 8.451 1.00 0.00 N ATOM 1148 CA LEU A 76 3.690 -9.694 8.684 1.00 0.00 C ATOM 1149 C LEU A 76 4.457 -8.545 8.037 1.00 0.00 C ATOM 1150 O LEU A 76 3.864 -7.668 7.407 1.00 0.00 O ATOM 1151 CB LEU A 76 3.541 -9.441 10.186 1.00 0.00 C ATOM 1152 CG LEU A 76 2.764 -8.177 10.555 1.00 0.00 C ATOM 1153 CD1 LEU A 76 1.266 -8.444 10.528 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.193 -7.669 11.923 1.00 0.00 C ATOM 0 H LEU A 76 4.640 -11.459 9.300 1.00 0.00 H new ATOM 0 HA LEU A 76 2.700 -9.746 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.043 -10.300 10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.535 -9.381 10.629 1.00 0.00 H new ATOM 0 HG LEU A 76 2.988 -7.407 9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.729 -7.533 10.793 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.971 -8.761 9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.023 -9.229 11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.630 -6.769 12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.999 -8.436 12.673 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.258 -7.438 11.908 1.00 0.00 H new ATOM 1166 N LEU A 77 5.776 -8.554 8.198 1.00 0.00 N ATOM 1167 CA LEU A 77 6.623 -7.511 7.630 1.00 0.00 C ATOM 1168 C LEU A 77 6.471 -7.451 6.113 1.00 0.00 C ATOM 1169 O LEU A 77 6.598 -6.386 5.508 1.00 0.00 O ATOM 1170 CB LEU A 77 8.088 -7.757 7.997 1.00 0.00 C ATOM 1171 CG LEU A 77 8.547 -9.215 7.892 1.00 0.00 C ATOM 1172 CD1 LEU A 77 9.916 -9.298 7.236 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.571 -9.867 9.267 1.00 0.00 C ATOM 0 H LEU A 77 6.282 -9.272 8.717 1.00 0.00 H new ATOM 0 HA LEU A 77 6.306 -6.555 8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.717 -7.147 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.254 -7.412 9.018 1.00 0.00 H new ATOM 0 HG LEU A 77 7.835 -9.756 7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.225 -10.341 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.866 -8.870 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.639 -8.742 7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.899 -10.902 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.260 -9.325 9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.571 -9.841 9.699 1.00 0.00 H new ATOM 1185 N GLN A 78 6.202 -8.601 5.503 1.00 0.00 N ATOM 1186 CA GLN A 78 6.035 -8.677 4.056 1.00 0.00 C ATOM 1187 C GLN A 78 4.688 -8.103 3.631 1.00 0.00 C ATOM 1188 O GLN A 78 4.624 -7.174 2.826 1.00 0.00 O ATOM 1189 CB GLN A 78 6.159 -10.129 3.585 1.00 0.00 C ATOM 1190 CG GLN A 78 7.060 -10.300 2.373 1.00 0.00 C ATOM 1191 CD GLN A 78 8.496 -9.901 2.653 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.986 -10.047 3.773 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.178 -9.393 1.633 1.00 0.00 N ATOM 0 H GLN A 78 6.095 -9.492 5.988 1.00 0.00 H new ATOM 0 HA GLN A 78 6.822 -8.083 3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.546 -10.736 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.166 -10.511 3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.033 -11.340 2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.674 -9.699 1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.732 -9.290 0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.148 -9.106 1.761 1.00 0.00 H new ATOM 1202 N ARG A 79 3.612 -8.664 4.175 1.00 0.00 N ATOM 1203 CA ARG A 79 2.265 -8.208 3.852 1.00 0.00 C ATOM 1204 C ARG A 79 2.086 -6.736 4.207 1.00 0.00 C ATOM 1205 O ARG A 79 1.364 -6.006 3.529 1.00 0.00 O ATOM 1206 CB ARG A 79 1.226 -9.053 4.591 1.00 0.00 C ATOM 1207 CG ARG A 79 1.450 -9.114 6.093 1.00 0.00 C ATOM 1208 CD ARG A 79 0.182 -9.521 6.828 1.00 0.00 C ATOM 1209 NE ARG A 79 0.465 -10.397 7.963 1.00 0.00 N ATOM 1210 CZ ARG A 79 0.925 -11.640 7.844 1.00 0.00 C ATOM 1211 NH1 ARG A 79 1.154 -12.158 6.643 1.00 0.00 N ATOM 1212 NH2 ARG A 79 1.156 -12.369 8.927 1.00 0.00 N ATOM 0 H ARG A 79 3.647 -9.435 4.842 1.00 0.00 H new ATOM 0 HA ARG A 79 2.119 -8.323 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.234 -8.646 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.240 -10.066 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.245 -9.826 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.784 -8.141 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.336 -8.629 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.491 -10.029 6.137 1.00 0.00 H new ATOM 0 HE ARG A 79 0.300 -10.034 8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.977 -11.603 5.806 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.507 -13.111 6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.981 -11.977 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.509 -13.322 8.835 1.00 0.00 H new ATOM 1226 N HIS A 80 2.748 -6.305 5.276 1.00 0.00 N ATOM 1227 CA HIS A 80 2.662 -4.919 5.722 1.00 0.00 C ATOM 1228 C HIS A 80 3.374 -3.988 4.746 1.00 0.00 C ATOM 1229 O HIS A 80 2.908 -2.880 4.479 1.00 0.00 O ATOM 1230 CB HIS A 80 3.267 -4.772 7.119 1.00 0.00 C ATOM 1231 CG HIS A 80 2.305 -5.079 8.224 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.526 -4.721 9.537 1.00 0.00 N ATOM 1233 CD2 HIS A 80 1.108 -5.715 8.206 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.510 -5.124 10.279 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.636 -5.728 9.495 1.00 0.00 N ATOM 0 H HIS A 80 3.350 -6.896 5.850 1.00 0.00 H new ATOM 0 HA HIS A 80 1.609 -4.640 5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.129 -5.434 7.204 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.635 -3.753 7.241 1.00 0.00 H new ATOM 0 HD1 HIS A 80 3.346 -4.223 9.882 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.617 -6.133 7.340 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.411 -4.983 11.345 1.00 0.00 H new ATOM 1244 N ARG A 81 4.505 -4.444 4.218 1.00 0.00 N ATOM 1245 CA ARG A 81 5.280 -3.651 3.272 1.00 0.00 C ATOM 1246 C ARG A 81 4.613 -3.634 1.901 1.00 0.00 C ATOM 1247 O ARG A 81 4.720 -2.657 1.160 1.00 0.00 O ATOM 1248 CB ARG A 81 6.702 -4.204 3.156 1.00 0.00 C ATOM 1249 CG ARG A 81 7.712 -3.476 4.029 1.00 0.00 C ATOM 1250 CD ARG A 81 9.108 -4.055 3.866 1.00 0.00 C ATOM 1251 NE ARG A 81 10.134 -3.014 3.861 1.00 0.00 N ATOM 1252 CZ ARG A 81 11.426 -3.245 4.078 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.856 -4.478 4.320 1.00 0.00 N ATOM 1254 NH2 ARG A 81 12.293 -2.242 4.054 1.00 0.00 N ATOM 0 H ARG A 81 4.905 -5.358 4.429 1.00 0.00 H new ATOM 0 HA ARG A 81 5.326 -2.628 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.695 -5.260 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.023 -4.143 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.723 -2.418 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.408 -3.545 5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.307 -4.756 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.160 -4.620 2.935 1.00 0.00 H new ATOM 0 HE ARG A 81 9.842 -2.053 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.194 -5.254 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.848 -4.649 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.969 -1.293 3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.283 -2.420 4.221 1.00 0.00 H new ATOM 1268 N LEU A 82 3.925 -4.721 1.569 1.00 0.00 N ATOM 1269 CA LEU A 82 3.240 -4.832 0.286 1.00 0.00 C ATOM 1270 C LEU A 82 2.194 -3.732 0.131 1.00 0.00 C ATOM 1271 O LEU A 82 2.218 -2.971 -0.836 1.00 0.00 O ATOM 1272 CB LEU A 82 2.579 -6.204 0.155 1.00 0.00 C ATOM 1273 CG LEU A 82 3.445 -7.280 -0.505 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.776 -8.641 -0.400 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.715 -6.926 -1.960 1.00 0.00 C ATOM 0 H LEU A 82 3.827 -5.538 2.171 1.00 0.00 H new ATOM 0 HA LEU A 82 3.981 -4.717 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.293 -6.549 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.660 -6.094 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 82 4.399 -7.326 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.406 -9.394 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.634 -8.896 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.808 -8.610 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.332 -7.701 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.770 -6.852 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.237 -5.970 -2.011 1.00 0.00 H new ATOM 1287 N VAL A 83 1.278 -3.654 1.091 1.00 0.00 N ATOM 1288 CA VAL A 83 0.224 -2.647 1.061 1.00 0.00 C ATOM 1289 C VAL A 83 0.807 -1.239 1.107 1.00 0.00 C ATOM 1290 O VAL A 83 0.265 -0.313 0.504 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.754 -2.824 2.238 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.949 -1.895 2.084 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.205 -4.272 2.344 1.00 0.00 C ATOM 0 H VAL A 83 1.245 -4.276 1.899 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.317 -2.783 0.124 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.236 -2.561 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.629 -2.034 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.605 -0.861 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.470 -2.124 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.895 -4.378 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.706 -4.566 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.338 -4.912 2.506 1.00 0.00 H new ATOM 1303 N ASN A 84 1.914 -1.085 1.825 1.00 0.00 N ATOM 1304 CA ASN A 84 2.570 0.211 1.949 1.00 0.00 C ATOM 1305 C ASN A 84 3.256 0.601 0.644 1.00 0.00 C ATOM 1306 O ASN A 84 3.148 1.740 0.191 1.00 0.00 O ATOM 1307 CB ASN A 84 3.593 0.182 3.087 1.00 0.00 C ATOM 1308 CG ASN A 84 2.975 0.522 4.428 1.00 0.00 C ATOM 1309 OD1 ASN A 84 2.483 1.631 4.635 1.00 0.00 O ATOM 1310 ND2 ASN A 84 2.999 -0.434 5.350 1.00 0.00 N ATOM 0 H ASN A 84 2.376 -1.842 2.330 1.00 0.00 H new ATOM 0 HA ASN A 84 1.807 0.956 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.046 -0.808 3.139 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.394 0.888 2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.599 -0.263 6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.417 -1.339 5.135 1.00 0.00 H new ATOM 1317 N GLU A 85 3.962 -0.353 0.044 1.00 0.00 N ATOM 1318 CA GLU A 85 4.664 -0.109 -1.210 1.00 0.00 C ATOM 1319 C GLU A 85 3.686 0.255 -2.322 1.00 0.00 C ATOM 1320 O GLU A 85 3.997 1.062 -3.197 1.00 0.00 O ATOM 1321 CB GLU A 85 5.476 -1.342 -1.612 1.00 0.00 C ATOM 1322 CG GLU A 85 6.746 -1.526 -0.797 1.00 0.00 C ATOM 1323 CD GLU A 85 7.929 -1.944 -1.649 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.969 -1.565 -2.838 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.816 -2.651 -1.126 1.00 0.00 O ATOM 0 H GLU A 85 4.063 -1.301 0.406 1.00 0.00 H new ATOM 0 HA GLU A 85 5.342 0.731 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.852 -2.229 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.739 -1.265 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.983 -0.594 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.574 -2.278 -0.027 1.00 0.00 H new ATOM 1332 N CYS A 86 2.502 -0.347 -2.281 1.00 0.00 N ATOM 1333 CA CYS A 86 1.476 -0.087 -3.285 1.00 0.00 C ATOM 1334 C CYS A 86 1.083 1.387 -3.291 1.00 0.00 C ATOM 1335 O CYS A 86 1.186 2.063 -4.314 1.00 0.00 O ATOM 1336 CB CYS A 86 0.245 -0.955 -3.024 1.00 0.00 C ATOM 1337 SG CYS A 86 0.249 -2.529 -3.916 1.00 0.00 S ATOM 0 H CYS A 86 2.229 -1.018 -1.563 1.00 0.00 H new ATOM 0 HA CYS A 86 1.887 -0.339 -4.263 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.175 -1.156 -1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.647 -0.394 -3.302 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.131 -2.333 -5.144 1.00 0.00 H new ATOM 1343 N LEU A 87 0.632 1.878 -2.141 1.00 0.00 N ATOM 1344 CA LEU A 87 0.223 3.272 -2.013 1.00 0.00 C ATOM 1345 C LEU A 87 1.341 4.111 -1.401 1.00 0.00 C ATOM 1346 O LEU A 87 1.106 4.912 -0.494 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.041 3.377 -1.156 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.089 2.294 -1.413 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.199 2.370 -0.376 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -2.659 2.427 -2.817 1.00 0.00 C ATOM 0 H LEU A 87 0.541 1.331 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 87 0.009 3.657 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.753 3.341 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.498 4.352 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.607 1.320 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.936 1.592 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.778 2.226 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.680 3.347 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.403 1.648 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.126 3.405 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.856 2.323 -3.547 1.00 0.00 H new ATOM 1362 N ALA A 88 2.556 3.922 -1.901 1.00 0.00 N ATOM 1363 CA ALA A 88 3.711 4.660 -1.404 1.00 0.00 C ATOM 1364 C ALA A 88 3.538 6.161 -1.614 1.00 0.00 C ATOM 1365 O ALA A 88 3.658 6.946 -0.674 1.00 0.00 O ATOM 1366 CB ALA A 88 4.981 4.173 -2.086 1.00 0.00 C ATOM 0 H ALA A 88 2.767 3.264 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 88 3.793 4.478 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.836 4.732 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.121 3.112 -1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.897 4.325 -3.162 1.00 0.00 H new ATOM 1372 N GLU A 89 3.258 6.553 -2.852 1.00 0.00 N ATOM 1373 CA GLU A 89 3.071 7.960 -3.184 1.00 0.00 C ATOM 1374 C GLU A 89 1.717 8.464 -2.691 1.00 0.00 C ATOM 1375 O GLU A 89 1.572 9.632 -2.331 1.00 0.00 O ATOM 1376 CB GLU A 89 3.185 8.169 -4.696 1.00 0.00 C ATOM 1377 CG GLU A 89 4.467 7.611 -5.292 1.00 0.00 C ATOM 1378 CD GLU A 89 4.599 7.911 -6.773 1.00 0.00 C ATOM 1379 OE1 GLU A 89 4.075 8.953 -7.217 1.00 0.00 O ATOM 1380 OE2 GLU A 89 5.226 7.101 -7.488 1.00 0.00 O ATOM 0 H GLU A 89 3.156 5.916 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 89 3.854 8.530 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.332 7.698 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.128 9.236 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.322 8.030 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.495 6.532 -5.139 1.00 0.00 H new ATOM 1387 N GLU A 90 0.729 7.575 -2.681 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.614 7.929 -2.236 1.00 0.00 C ATOM 1389 C GLU A 90 -0.681 8.048 -0.715 1.00 0.00 C ATOM 1390 O GLU A 90 -1.481 8.815 -0.178 1.00 0.00 O ATOM 1391 CB GLU A 90 -1.624 6.887 -2.720 1.00 0.00 C ATOM 1392 CG GLU A 90 -1.973 7.018 -4.193 1.00 0.00 C ATOM 1393 CD GLU A 90 -0.748 7.005 -5.086 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -0.226 5.905 -5.363 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -0.311 8.096 -5.509 1.00 0.00 O ATOM 0 H GLU A 90 0.833 6.604 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.863 8.899 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.221 5.891 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.536 6.975 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.636 6.201 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.523 7.945 -4.351 1.00 0.00 H new ATOM 1402 N LEU A 91 0.158 7.280 -0.024 1.00 0.00 N ATOM 1403 CA LEU A 91 0.187 7.294 1.437 1.00 0.00 C ATOM 1404 C LEU A 91 0.307 8.718 1.981 1.00 0.00 C ATOM 1405 O LEU A 91 -0.548 9.171 2.741 1.00 0.00 O ATOM 1406 CB LEU A 91 1.344 6.433 1.954 1.00 0.00 C ATOM 1407 CG LEU A 91 0.942 5.048 2.464 1.00 0.00 C ATOM 1408 CD1 LEU A 91 2.147 4.322 3.042 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.164 5.163 3.503 1.00 0.00 C ATOM 0 H LEU A 91 0.827 6.640 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.756 6.877 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.073 6.311 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.844 6.969 2.760 1.00 0.00 H new ATOM 0 HG LEU A 91 0.563 4.467 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.842 3.339 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.908 4.207 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.556 4.899 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.438 4.168 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.187 5.761 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.035 5.642 3.056 1.00 0.00 H new ATOM 1421 N PRO A 92 1.373 9.446 1.602 1.00 0.00 N ATOM 1422 CA PRO A 92 1.594 10.821 2.060 1.00 0.00 C ATOM 1423 C PRO A 92 0.328 11.671 1.992 1.00 0.00 C ATOM 1424 O PRO A 92 0.130 12.574 2.805 1.00 0.00 O ATOM 1425 CB PRO A 92 2.642 11.347 1.080 1.00 0.00 C ATOM 1426 CG PRO A 92 3.416 10.139 0.677 1.00 0.00 C ATOM 1427 CD PRO A 92 2.447 8.987 0.699 1.00 0.00 C ATOM 0 HA PRO A 92 1.902 10.860 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.175 11.825 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.285 12.092 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.845 10.266 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.245 9.962 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.065 8.767 -0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.918 8.076 1.068 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.527 11.376 1.017 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.774 12.113 0.844 1.00 0.00 C ATOM 1437 C HIS A 93 -2.797 11.710 1.902 1.00 0.00 C ATOM 1438 O HIS A 93 -3.620 12.521 2.326 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.346 11.869 -0.553 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.546 12.508 -1.646 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -1.998 13.586 -2.377 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.315 12.216 -2.131 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -1.080 13.929 -3.265 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.051 13.114 -3.136 1.00 0.00 N ATOM 0 H HIS A 93 -0.379 10.632 0.335 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.557 13.175 0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.399 10.795 -0.733 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.367 12.249 -0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.337 11.425 -1.791 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.159 14.739 -3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.803 13.146 -3.693 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.738 10.451 2.324 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.657 9.938 3.332 1.00 0.00 C ATOM 1455 C ILE A 94 -3.310 10.471 4.717 1.00 0.00 C ATOM 1456 O ILE A 94 -2.292 10.096 5.300 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.645 8.398 3.373 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -3.803 7.825 1.963 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.746 7.882 4.287 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.141 8.137 1.329 1.00 0.00 C ATOM 0 H ILE A 94 -2.062 9.767 1.983 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.653 10.281 3.052 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.685 8.069 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.009 8.219 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.672 6.744 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.723 6.792 4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.590 8.264 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.714 8.219 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.182 7.700 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.940 7.719 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.266 9.217 1.257 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.161 11.346 5.243 1.00 0.00 N ATOM 1473 CA HIS A 95 -3.943 11.926 6.562 1.00 0.00 C ATOM 1474 C HIS A 95 -3.916 10.840 7.632 1.00 0.00 C ATOM 1475 O HIS A 95 -3.211 10.958 8.633 1.00 0.00 O ATOM 1476 CB HIS A 95 -5.036 12.947 6.881 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.584 14.042 7.796 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -4.328 13.845 9.137 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -4.341 15.353 7.557 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -3.948 14.988 9.684 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.947 15.917 8.746 1.00 0.00 N ATOM 0 H HIS A 95 -5.008 11.669 4.775 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.977 12.431 6.556 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.393 13.387 5.950 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.882 12.431 7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.439 15.860 6.609 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.684 15.136 10.721 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.694 16.896 8.882 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.688 9.782 7.409 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.754 8.670 8.349 1.00 0.00 C ATOM 1492 C ALA A 96 -5.067 7.364 7.628 1.00 0.00 C ATOM 1493 O ALA A 96 -6.132 7.214 7.028 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.797 8.945 9.421 1.00 0.00 C ATOM 0 H ALA A 96 -5.278 9.671 6.584 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.779 8.570 8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.835 8.106 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.531 9.853 9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.773 9.074 8.954 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.131 6.423 7.686 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.306 5.130 7.033 1.00 0.00 C ATOM 1502 C PHE A 97 -4.214 3.991 8.043 1.00 0.00 C ATOM 1503 O PHE A 97 -3.341 3.986 8.910 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.255 4.943 5.938 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.589 3.847 4.966 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.281 2.528 5.257 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.210 4.136 3.762 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.586 1.517 4.365 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -4.518 3.130 2.866 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.205 1.819 3.167 1.00 0.00 C ATOM 0 H PHE A 97 -3.244 6.531 8.178 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.298 5.110 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.141 5.879 5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.293 4.725 6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.797 2.287 6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.456 5.159 3.521 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.341 0.493 4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.003 3.369 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.444 1.031 2.468 1.00 0.00 H new ATOM 1520 N GLU A 98 -5.119 3.026 7.921 1.00 0.00 N ATOM 1521 CA GLU A 98 -5.142 1.879 8.820 1.00 0.00 C ATOM 1522 C GLU A 98 -5.418 0.592 8.050 1.00 0.00 C ATOM 1523 O GLU A 98 -6.458 0.453 7.407 1.00 0.00 O ATOM 1524 CB GLU A 98 -6.201 2.074 9.906 1.00 0.00 C ATOM 1525 CG GLU A 98 -6.032 1.144 11.095 1.00 0.00 C ATOM 1526 CD GLU A 98 -6.615 1.718 12.372 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -7.798 2.119 12.356 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -5.889 1.767 13.386 1.00 0.00 O ATOM 0 H GLU A 98 -5.847 3.016 7.207 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.162 1.798 9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.166 3.106 10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.188 1.918 9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.513 0.190 10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.972 0.940 11.244 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.478 -0.347 8.117 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.620 -1.621 7.423 1.00 0.00 C ATOM 1537 C GLN A 99 -4.716 -2.776 8.416 1.00 0.00 C ATOM 1538 O GLN A 99 -4.154 -2.716 9.509 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.439 -1.845 6.477 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.090 -1.531 7.103 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.581 -0.154 6.731 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -1.209 0.018 5.468 1.00 0.00 O flip ATOM 1543 NE2 GLN A 99 -1.523 0.747 7.568 1.00 0.00 N flip ATOM 0 H GLN A 99 -3.611 -0.249 8.645 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.542 -1.588 6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.443 -2.883 6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.572 -1.225 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.171 -1.603 8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.364 -2.280 6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.819 0.571 8.528 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.179 1.669 7.301 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.431 -3.826 8.025 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.601 -4.996 8.878 1.00 0.00 C ATOM 1554 C LYS A 100 -5.704 -6.267 8.041 1.00 0.00 C ATOM 1555 O LYS A 100 -6.601 -6.404 7.210 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.850 -4.842 9.749 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.571 -4.218 11.107 1.00 0.00 C ATOM 1558 CD LYS A 100 -6.978 -2.754 11.143 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.580 -2.376 12.487 1.00 0.00 C ATOM 1560 NZ LYS A 100 -8.726 -1.436 12.339 1.00 0.00 N ATOM 0 H LYS A 100 -5.902 -3.890 7.123 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.726 -5.076 9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.579 -4.229 9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.304 -5.822 9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.112 -4.766 11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.510 -4.307 11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.108 -2.128 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.700 -2.557 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.914 -3.277 13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.813 -1.918 13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.108 -1.203 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.403 -0.565 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.469 -1.882 11.764 1.00 0.00 H new ATOM 1574 N THR A 101 -4.776 -7.193 8.263 1.00 0.00 N ATOM 1575 CA THR A 101 -4.762 -8.453 7.528 1.00 0.00 C ATOM 1576 C THR A 101 -5.104 -9.623 8.444 1.00 0.00 C ATOM 1577 O THR A 101 -4.500 -9.793 9.503 1.00 0.00 O ATOM 1578 CB THR A 101 -3.392 -8.676 6.886 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.439 -9.066 7.860 1.00 0.00 O ATOM 1580 CG2 THR A 101 -2.852 -7.451 6.181 1.00 0.00 C ATOM 0 H THR A 101 -4.024 -7.094 8.946 1.00 0.00 H new ATOM 0 HA THR A 101 -5.519 -8.397 6.745 1.00 0.00 H new ATOM 0 HB THR A 101 -3.546 -9.461 6.146 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.901 -9.315 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.878 -7.680 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.540 -7.154 5.389 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.749 -6.635 6.897 1.00 0.00 H new ATOM 1588 N LEU A 102 -6.078 -10.428 8.029 1.00 0.00 N ATOM 1589 CA LEU A 102 -6.499 -11.583 8.812 1.00 0.00 C ATOM 1590 C LEU A 102 -6.819 -12.768 7.906 1.00 0.00 C ATOM 1591 O LEU A 102 -7.213 -12.591 6.753 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.723 -11.230 9.662 1.00 0.00 C ATOM 1593 CG LEU A 102 -7.408 -10.706 11.064 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -8.688 -10.315 11.787 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -6.640 -11.749 11.861 1.00 0.00 C ATOM 0 H LEU A 102 -6.589 -10.301 7.156 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.677 -11.864 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.309 -10.479 9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.350 -12.117 9.754 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.783 -9.818 10.969 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.445 -9.944 12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.200 -9.534 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.338 -11.186 11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.424 -11.360 12.856 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.240 -12.655 11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.705 -11.981 11.351 1.00 0.00 H new ATOM 1607 N THR A 103 -6.646 -13.975 8.435 1.00 0.00 N ATOM 1608 CA THR A 103 -6.915 -15.190 7.674 1.00 0.00 C ATOM 1609 C THR A 103 -8.407 -15.513 7.673 1.00 0.00 C ATOM 1610 O THR A 103 -9.140 -15.103 8.572 1.00 0.00 O ATOM 1611 CB THR A 103 -6.127 -16.364 8.254 1.00 0.00 C ATOM 1612 OG1 THR A 103 -6.043 -16.265 9.664 1.00 0.00 O ATOM 1613 CG2 THR A 103 -4.715 -16.462 7.716 1.00 0.00 C ATOM 0 H THR A 103 -6.321 -14.138 9.388 1.00 0.00 H new ATOM 0 HA THR A 103 -6.598 -15.022 6.645 1.00 0.00 H new ATOM 0 HB THR A 103 -6.676 -17.256 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.536 -17.027 10.016 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.212 -17.316 8.169 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.746 -16.591 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.169 -15.550 7.958 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.876 -16.259 6.658 1.00 0.00 N ATOM 1622 CA PRO A 104 -10.288 -16.639 6.544 1.00 0.00 C ATOM 1623 C PRO A 104 -10.807 -17.324 7.804 1.00 0.00 C ATOM 1624 O PRO A 104 -11.883 -16.997 8.303 1.00 0.00 O ATOM 1625 CB PRO A 104 -10.305 -17.612 5.362 1.00 0.00 C ATOM 1626 CG PRO A 104 -9.104 -17.254 4.558 1.00 0.00 C ATOM 1627 CD PRO A 104 -8.070 -16.791 5.544 1.00 0.00 C ATOM 0 HA PRO A 104 -10.931 -15.770 6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.260 -18.647 5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.219 -17.508 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.745 -18.112 3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.336 -16.469 3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.428 -17.610 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.421 -16.027 5.117 1.00 0.00 H new ATOM 1635 N GLU A 105 -10.033 -18.278 8.314 1.00 0.00 N ATOM 1636 CA GLU A 105 -10.413 -19.010 9.515 1.00 0.00 C ATOM 1637 C GLU A 105 -10.596 -18.061 10.697 1.00 0.00 C ATOM 1638 O GLU A 105 -11.410 -18.310 11.585 1.00 0.00 O ATOM 1639 CB GLU A 105 -9.356 -20.067 9.848 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.802 -21.489 9.550 1.00 0.00 C ATOM 1641 CD GLU A 105 -9.186 -22.038 8.278 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -8.794 -21.230 7.411 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -9.096 -23.277 8.150 1.00 0.00 O ATOM 0 H GLU A 105 -9.139 -18.561 7.913 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.364 -19.506 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.450 -19.853 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.098 -19.990 10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.533 -22.133 10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.888 -21.515 9.464 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.832 -16.974 10.698 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.910 -15.988 11.770 1.00 0.00 C ATOM 1652 C GLN A 106 -11.187 -15.161 11.657 1.00 0.00 C ATOM 1653 O GLN A 106 -11.950 -15.045 12.615 1.00 0.00 O ATOM 1654 CB GLN A 106 -8.687 -15.068 11.734 1.00 0.00 C ATOM 1655 CG GLN A 106 -7.414 -15.731 12.234 1.00 0.00 C ATOM 1656 CD GLN A 106 -7.283 -15.677 13.744 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -8.211 -16.030 14.472 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -6.126 -15.235 14.222 1.00 0.00 N ATOM 0 H GLN A 106 -9.153 -16.753 9.970 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.928 -16.521 12.720 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.531 -14.725 10.711 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.889 -14.185 12.340 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.398 -16.771 11.909 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.552 -15.242 11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.384 -14.953 13.582 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.979 -15.178 15.230 1.00 0.00 H new ATOM 1667 N TRP A 107 -11.412 -14.588 10.478 1.00 0.00 N ATOM 1668 CA TRP A 107 -12.597 -13.773 10.240 1.00 0.00 C ATOM 1669 C TRP A 107 -13.870 -14.594 10.413 1.00 0.00 C ATOM 1670 O TRP A 107 -14.830 -14.145 11.040 1.00 0.00 O ATOM 1671 CB TRP A 107 -12.551 -13.166 8.839 1.00 0.00 C ATOM 1672 CG TRP A 107 -13.023 -11.747 8.799 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -14.287 -11.313 8.533 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -12.238 -10.575 9.041 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -14.338 -9.941 8.588 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -13.091 -9.464 8.898 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.896 -10.357 9.361 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -12.645 -8.156 9.066 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -10.454 -9.059 9.528 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -11.326 -7.972 9.381 1.00 0.00 C ATOM 0 H TRP A 107 -10.790 -14.673 9.674 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.606 -12.969 10.976 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -11.529 -13.214 8.462 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -13.166 -13.766 8.169 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -15.127 -11.954 8.311 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -15.168 -9.371 8.425 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -10.216 -11.188 9.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -13.315 -7.317 8.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -9.418 -8.879 9.776 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.950 -6.969 9.519 1.00 0.00 H new ATOM 1691 N THR A 108 -13.873 -15.800 9.853 1.00 0.00 N ATOM 1692 CA THR A 108 -15.028 -16.683 9.948 1.00 0.00 C ATOM 1693 C THR A 108 -15.348 -17.009 11.403 1.00 0.00 C ATOM 1694 O THR A 108 -16.505 -17.226 11.762 1.00 0.00 O ATOM 1695 CB THR A 108 -14.775 -17.973 9.167 1.00 0.00 C ATOM 1696 OG1 THR A 108 -14.237 -17.687 7.888 1.00 0.00 O ATOM 1697 CG2 THR A 108 -16.021 -18.804 8.965 1.00 0.00 C ATOM 0 H THR A 108 -13.088 -16.187 9.329 1.00 0.00 H new ATOM 0 HA THR A 108 -15.885 -16.166 9.515 1.00 0.00 H new ATOM 0 HB THR A 108 -14.072 -18.544 9.773 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.259 -17.671 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.771 -19.704 8.404 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.433 -19.083 9.935 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.759 -18.224 8.410 1.00 0.00 H new