USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.719 X(o=-0.72,f=-0.47) USER MOD Set 2.1: A 79 GLN : amide:sc= -0.604 X(o=-1.2,f=-1.4) USER MOD Set 2.2: A 101 SER OG : rot 150:sc= -0.59 USER MOD Set 3.1: A 55 CYS SG : rot 48:sc= -1.21 USER MOD Set 3.2: A 69 HIS : no HD1:sc= -2.06 K(o=-3.3,f=-0.62) USER MOD Set 4.1: A 42 MET CE :methyl -151:sc= -0.705 (180deg=-0.198) USER MOD Set 4.2: A 93 ASN : amide:sc= -4.14 K(o=-4.8,f=-6.9!) USER MOD Single : A 29 ASN : amide:sc=-0.00181 K(o=-0.0018,f=-0.58) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 33:sc= 0.185 USER MOD Single : A 36 SER OG : rot -80:sc= 0.436 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 43 MET CE :methyl -136:sc= -4.67 (180deg=-5.73!) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0.583 (180deg=0.548) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 1.26 K(o=1.3,f=-0.0077) USER MOD Single : A 67 CYS SG : rot -169:sc= -0.075 USER MOD Single : A 73 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.25) USER MOD Single : A 76 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.11) USER MOD Single : A 82 MET CE :methyl -113:sc= -0.0917 (180deg=-1.02) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -111:sc= 0.24 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 108 LYS NZ :NH3+ -155:sc= -0.0587 (180deg=-0.584) USER MOD Single : A 109 ASN : amide:sc= -2.35! K(o=-2.4!,f=-1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0641) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 4.983 -14.808 2.946 1.00 0.00 N ATOM 458 CA ASN A 29 4.331 -13.507 2.843 1.00 0.00 C ATOM 459 C ASN A 29 4.330 -13.012 1.400 1.00 0.00 C ATOM 460 O ASN A 29 5.361 -13.022 0.727 1.00 0.00 O ATOM 461 CB ASN A 29 5.034 -12.488 3.742 1.00 0.00 C ATOM 462 CG ASN A 29 5.119 -12.951 5.184 1.00 0.00 C ATOM 463 OD1 ASN A 29 4.100 -13.181 5.835 1.00 0.00 O ATOM 464 ND2 ASN A 29 6.339 -13.090 5.689 1.00 0.00 N ATOM 0 HA ASN A 29 3.298 -13.620 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.039 -12.305 3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.499 -11.539 3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.460 -13.399 6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.156 -12.888 5.112 1.00 0.00 H new ATOM 471 N LEU A 30 3.165 -12.579 0.930 1.00 0.00 N ATOM 472 CA LEU A 30 3.028 -12.079 -0.434 1.00 0.00 C ATOM 473 C LEU A 30 2.968 -10.555 -0.452 1.00 0.00 C ATOM 474 O LEU A 30 2.180 -9.946 0.272 1.00 0.00 O ATOM 475 CB LEU A 30 1.771 -12.658 -1.086 1.00 0.00 C ATOM 476 CG LEU A 30 1.873 -14.104 -1.573 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.513 -14.612 -2.026 1.00 0.00 C ATOM 478 CD2 LEU A 30 2.889 -14.217 -2.700 1.00 0.00 C ATOM 0 H LEU A 30 2.302 -12.564 1.473 1.00 0.00 H new ATOM 0 HA LEU A 30 3.903 -12.396 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.952 -12.594 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.503 -12.028 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 30 2.211 -14.724 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.605 -15.642 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.188 -14.569 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.145 -13.990 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.948 -15.253 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.581 -13.584 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.867 -13.895 -2.342 1.00 0.00 H new ATOM 490 N TYR A 31 3.804 -9.945 -1.284 1.00 0.00 N ATOM 491 CA TYR A 31 3.847 -8.492 -1.396 1.00 0.00 C ATOM 492 C TYR A 31 3.184 -8.026 -2.689 1.00 0.00 C ATOM 493 O TYR A 31 3.602 -8.401 -3.785 1.00 0.00 O ATOM 494 CB TYR A 31 5.293 -7.998 -1.345 1.00 0.00 C ATOM 495 CG TYR A 31 6.097 -8.595 -0.212 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.608 -8.595 1.089 1.00 0.00 C ATOM 497 CD2 TYR A 31 7.346 -9.159 -0.442 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.339 -9.139 2.127 1.00 0.00 C ATOM 499 CE2 TYR A 31 8.084 -9.706 0.590 1.00 0.00 C ATOM 500 CZ TYR A 31 7.576 -9.694 1.873 1.00 0.00 C ATOM 501 OH TYR A 31 8.308 -10.237 2.903 1.00 0.00 O ATOM 0 H TYR A 31 4.462 -10.434 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 31 3.297 -8.072 -0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.782 -8.234 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.294 -6.912 -1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.640 -8.162 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.747 -9.170 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.944 -9.130 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.053 -10.141 0.394 1.00 0.00 H new ATOM 0 HH TYR A 31 9.155 -10.586 2.554 1.00 0.00 H new ATOM 511 N PHE A 32 2.149 -7.205 -2.552 1.00 0.00 N ATOM 512 CA PHE A 32 1.426 -6.686 -3.708 1.00 0.00 C ATOM 513 C PHE A 32 1.535 -5.166 -3.780 1.00 0.00 C ATOM 514 O PHE A 32 1.711 -4.498 -2.762 1.00 0.00 O ATOM 515 CB PHE A 32 -0.045 -7.101 -3.645 1.00 0.00 C ATOM 516 CG PHE A 32 -0.245 -8.585 -3.527 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.308 -9.381 -4.659 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.370 -9.184 -2.283 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.492 -10.747 -4.553 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.554 -10.549 -2.171 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.614 -11.332 -3.307 1.00 0.00 C ATOM 0 H PHE A 32 1.791 -6.884 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 32 1.877 -7.108 -4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.516 -6.610 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.554 -6.744 -4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.212 -8.929 -5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.323 -8.577 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.540 -11.356 -5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.651 -11.003 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.756 -12.399 -3.222 1.00 0.00 H new ATOM 531 N GLN A 33 1.429 -4.628 -4.991 1.00 0.00 N ATOM 532 CA GLN A 33 1.517 -3.187 -5.196 1.00 0.00 C ATOM 533 C GLN A 33 0.489 -2.719 -6.221 1.00 0.00 C ATOM 534 O GLN A 33 0.588 -3.038 -7.405 1.00 0.00 O ATOM 535 CB GLN A 33 2.924 -2.801 -5.656 1.00 0.00 C ATOM 536 CG GLN A 33 4.009 -3.146 -4.648 1.00 0.00 C ATOM 537 CD GLN A 33 5.367 -3.337 -5.296 1.00 0.00 C ATOM 538 OE1 GLN A 33 5.695 -4.427 -5.767 1.00 0.00 O ATOM 539 NE2 GLN A 33 6.165 -2.276 -5.322 1.00 0.00 N ATOM 0 H GLN A 33 1.282 -5.168 -5.844 1.00 0.00 H new ATOM 0 HA GLN A 33 1.305 -2.697 -4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.141 -3.305 -6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.951 -1.730 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.074 -2.352 -3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.732 -4.058 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.852 -1.392 -4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.091 -2.345 -5.744 1.00 0.00 H new ATOM 548 N GLY A 34 -0.500 -1.961 -5.757 1.00 0.00 N ATOM 549 CA GLY A 34 -1.533 -1.462 -6.646 1.00 0.00 C ATOM 550 C GLY A 34 -2.608 -0.688 -5.909 1.00 0.00 C ATOM 551 O GLY A 34 -3.689 -1.213 -5.643 1.00 0.00 O ATOM 0 H GLY A 34 -0.604 -1.684 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.079 -0.819 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.990 -2.299 -7.174 1.00 0.00 H new ATOM 555 N SER A 35 -2.310 0.565 -5.577 1.00 0.00 N ATOM 556 CA SER A 35 -3.257 1.411 -4.862 1.00 0.00 C ATOM 557 C SER A 35 -4.381 1.871 -5.786 1.00 0.00 C ATOM 558 O SER A 35 -4.132 2.421 -6.858 1.00 0.00 O ATOM 559 CB SER A 35 -2.541 2.626 -4.268 1.00 0.00 C ATOM 560 OG SER A 35 -2.058 3.482 -5.289 1.00 0.00 O ATOM 0 H SER A 35 -1.421 1.016 -5.792 1.00 0.00 H new ATOM 0 HA SER A 35 -3.692 0.823 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.225 3.176 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.711 2.294 -3.644 1.00 0.00 H new ATOM 0 HG SER A 35 -2.669 3.455 -6.055 1.00 0.00 H new ATOM 566 N SER A 36 -5.619 1.641 -5.361 1.00 0.00 N ATOM 567 CA SER A 36 -6.783 2.027 -6.151 1.00 0.00 C ATOM 568 C SER A 36 -7.254 3.428 -5.775 1.00 0.00 C ATOM 569 O SER A 36 -8.439 3.744 -5.875 1.00 0.00 O ATOM 570 CB SER A 36 -7.919 1.022 -5.950 1.00 0.00 C ATOM 571 OG SER A 36 -8.624 1.285 -4.749 1.00 0.00 O ATOM 0 H SER A 36 -5.842 1.189 -4.474 1.00 0.00 H new ATOM 0 HA SER A 36 -6.493 2.030 -7.202 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.605 1.069 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.514 0.010 -5.924 1.00 0.00 H new ATOM 0 HG SER A 36 -8.123 0.921 -3.989 1.00 0.00 H new ATOM 577 N GLY A 37 -6.316 4.265 -5.340 1.00 0.00 N ATOM 578 CA GLY A 37 -6.654 5.622 -4.955 1.00 0.00 C ATOM 579 C GLY A 37 -6.070 6.005 -3.609 1.00 0.00 C ATOM 580 O GLY A 37 -4.936 6.476 -3.529 1.00 0.00 O ATOM 0 H GLY A 37 -5.329 4.027 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.291 6.313 -5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.738 5.727 -4.920 1.00 0.00 H new ATOM 584 N SER A 38 -6.847 5.805 -2.550 1.00 0.00 N ATOM 585 CA SER A 38 -6.402 6.138 -1.202 1.00 0.00 C ATOM 586 C SER A 38 -6.254 4.879 -0.352 1.00 0.00 C ATOM 587 O SER A 38 -6.782 3.821 -0.693 1.00 0.00 O ATOM 588 CB SER A 38 -7.390 7.100 -0.539 1.00 0.00 C ATOM 589 OG SER A 38 -6.889 7.573 0.699 1.00 0.00 O ATOM 0 H SER A 38 -7.788 5.414 -2.599 1.00 0.00 H new ATOM 0 HA SER A 38 -5.428 6.622 -1.277 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.583 7.943 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.343 6.595 -0.380 1.00 0.00 H new ATOM 0 HG SER A 38 -7.538 8.187 1.101 1.00 0.00 H new ATOM 595 N SER A 39 -5.530 5.003 0.755 1.00 0.00 N ATOM 596 CA SER A 39 -5.307 3.875 1.653 1.00 0.00 C ATOM 597 C SER A 39 -6.622 3.394 2.257 1.00 0.00 C ATOM 598 O SER A 39 -6.809 2.201 2.495 1.00 0.00 O ATOM 599 CB SER A 39 -4.334 4.267 2.767 1.00 0.00 C ATOM 600 OG SER A 39 -3.408 5.240 2.316 1.00 0.00 O ATOM 0 H SER A 39 -5.088 5.873 1.052 1.00 0.00 H new ATOM 0 HA SER A 39 -4.874 3.060 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.890 4.657 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.798 3.383 3.114 1.00 0.00 H new ATOM 0 HG SER A 39 -2.799 5.475 3.047 1.00 0.00 H new ATOM 606 N GLY A 40 -7.533 4.332 2.502 1.00 0.00 N ATOM 607 CA GLY A 40 -8.819 3.985 3.076 1.00 0.00 C ATOM 608 C GLY A 40 -9.676 3.168 2.129 1.00 0.00 C ATOM 609 O GLY A 40 -10.047 2.036 2.436 1.00 0.00 O ATOM 0 H GLY A 40 -7.402 5.326 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.663 3.422 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.351 4.897 3.347 1.00 0.00 H new ATOM 613 N ASP A 41 -9.992 3.745 0.974 1.00 0.00 N ATOM 614 CA ASP A 41 -10.811 3.063 -0.021 1.00 0.00 C ATOM 615 C ASP A 41 -10.466 1.578 -0.085 1.00 0.00 C ATOM 616 O ASP A 41 -11.351 0.731 -0.204 1.00 0.00 O ATOM 617 CB ASP A 41 -10.617 3.703 -1.397 1.00 0.00 C ATOM 618 CG ASP A 41 -10.888 5.195 -1.384 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.828 5.800 -0.294 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.160 5.757 -2.466 1.00 0.00 O ATOM 0 H ASP A 41 -9.694 4.682 0.704 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.855 3.162 0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.597 3.525 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.281 3.222 -2.115 1.00 0.00 H new ATOM 625 N MET A 42 -9.176 1.272 -0.005 1.00 0.00 N ATOM 626 CA MET A 42 -8.715 -0.111 -0.054 1.00 0.00 C ATOM 627 C MET A 42 -9.545 -0.993 0.873 1.00 0.00 C ATOM 628 O MET A 42 -10.229 -1.912 0.422 1.00 0.00 O ATOM 629 CB MET A 42 -7.237 -0.192 0.334 1.00 0.00 C ATOM 630 CG MET A 42 -6.307 0.461 -0.675 1.00 0.00 C ATOM 631 SD MET A 42 -6.607 -0.102 -2.362 1.00 0.00 S ATOM 632 CE MET A 42 -5.775 -1.688 -2.342 1.00 0.00 C ATOM 0 H MET A 42 -8.431 1.962 0.094 1.00 0.00 H new ATOM 0 HA MET A 42 -8.836 -0.473 -1.075 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.098 0.284 1.305 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.957 -1.239 0.449 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.430 1.543 -0.630 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.274 0.246 -0.403 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.416 -1.923 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.930 -1.647 -1.655 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.471 -2.460 -2.015 1.00 0.00 H new ATOM 642 N MET A 43 -9.480 -0.708 2.169 1.00 0.00 N ATOM 643 CA MET A 43 -10.227 -1.476 3.159 1.00 0.00 C ATOM 644 C MET A 43 -11.563 -1.943 2.589 1.00 0.00 C ATOM 645 O MET A 43 -11.984 -3.077 2.820 1.00 0.00 O ATOM 646 CB MET A 43 -10.461 -0.637 4.416 1.00 0.00 C ATOM 647 CG MET A 43 -9.180 -0.117 5.047 1.00 0.00 C ATOM 648 SD MET A 43 -8.173 -1.431 5.761 1.00 0.00 S ATOM 649 CE MET A 43 -9.186 -1.912 7.158 1.00 0.00 C ATOM 0 H MET A 43 -8.918 0.049 2.559 1.00 0.00 H new ATOM 0 HA MET A 43 -9.637 -2.354 3.422 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.102 0.208 4.165 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.999 -1.238 5.149 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.598 0.413 4.293 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.430 0.606 5.823 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.555 -2.041 8.038 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.928 -1.138 7.353 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.692 -2.851 6.934 1.00 0.00 H new ATOM 659 N ARG A 44 -12.224 -1.063 1.845 1.00 0.00 N ATOM 660 CA ARG A 44 -13.512 -1.385 1.244 1.00 0.00 C ATOM 661 C ARG A 44 -13.331 -2.248 -0.002 1.00 0.00 C ATOM 662 O ARG A 44 -13.819 -3.376 -0.063 1.00 0.00 O ATOM 663 CB ARG A 44 -14.266 -0.104 0.884 1.00 0.00 C ATOM 664 CG ARG A 44 -14.787 0.656 2.092 1.00 0.00 C ATOM 665 CD ARG A 44 -14.751 2.159 1.863 1.00 0.00 C ATOM 666 NE ARG A 44 -15.693 2.578 0.829 1.00 0.00 N ATOM 667 CZ ARG A 44 -16.993 2.750 1.045 1.00 0.00 C ATOM 668 NH1 ARG A 44 -17.502 2.540 2.251 1.00 0.00 N ATOM 669 NH2 ARG A 44 -17.787 3.132 0.053 1.00 0.00 N ATOM 0 H ARG A 44 -11.889 -0.121 1.644 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.094 -1.948 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.605 0.548 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.104 -0.356 0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.809 0.344 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.187 0.406 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.984 2.673 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.743 2.458 1.577 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.334 2.748 -0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.895 2.246 3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.500 2.673 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.400 3.294 -0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.785 3.264 0.220 1.00 0.00 H new ATOM 683 N GLU A 45 -12.626 -1.709 -0.992 1.00 0.00 N ATOM 684 CA GLU A 45 -12.382 -2.429 -2.236 1.00 0.00 C ATOM 685 C GLU A 45 -12.023 -3.886 -1.959 1.00 0.00 C ATOM 686 O GLU A 45 -12.424 -4.786 -2.697 1.00 0.00 O ATOM 687 CB GLU A 45 -11.259 -1.757 -3.028 1.00 0.00 C ATOM 688 CG GLU A 45 -11.243 -2.133 -4.500 1.00 0.00 C ATOM 689 CD GLU A 45 -12.525 -1.750 -5.214 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.245 -0.864 -4.707 1.00 0.00 O ATOM 691 OE2 GLU A 45 -12.809 -2.337 -6.279 1.00 0.00 O ATOM 0 H GLU A 45 -12.214 -0.777 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.298 -2.404 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.360 -0.675 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.301 -2.025 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.400 -1.643 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.086 -3.207 -4.595 1.00 0.00 H new ATOM 698 N ILE A 46 -11.265 -4.110 -0.890 1.00 0.00 N ATOM 699 CA ILE A 46 -10.853 -5.457 -0.516 1.00 0.00 C ATOM 700 C ILE A 46 -12.052 -6.305 -0.107 1.00 0.00 C ATOM 701 O ILE A 46 -12.323 -7.345 -0.707 1.00 0.00 O ATOM 702 CB ILE A 46 -9.837 -5.433 0.642 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.630 -4.568 0.271 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.396 -6.847 0.989 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.981 -3.895 1.461 1.00 0.00 C ATOM 0 H ILE A 46 -10.924 -3.376 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.382 -5.898 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.317 -4.998 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.890 -5.189 -0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.945 -3.805 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.678 -6.813 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.263 -7.435 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.930 -7.307 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.133 -3.299 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.707 -3.248 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.635 -4.653 2.164 1.00 0.00 H new ATOM 717 N ARG A 47 -12.768 -5.854 0.918 1.00 0.00 N ATOM 718 CA ARG A 47 -13.939 -6.571 1.407 1.00 0.00 C ATOM 719 C ARG A 47 -14.809 -7.046 0.247 1.00 0.00 C ATOM 720 O ARG A 47 -15.387 -8.132 0.294 1.00 0.00 O ATOM 721 CB ARG A 47 -14.758 -5.677 2.340 1.00 0.00 C ATOM 722 CG ARG A 47 -13.957 -5.115 3.503 1.00 0.00 C ATOM 723 CD ARG A 47 -14.034 -6.020 4.722 1.00 0.00 C ATOM 724 NE ARG A 47 -15.136 -5.654 5.607 1.00 0.00 N ATOM 725 CZ ARG A 47 -15.230 -4.477 6.216 1.00 0.00 C ATOM 726 NH1 ARG A 47 -14.292 -3.557 6.036 1.00 0.00 N ATOM 727 NH2 ARG A 47 -16.264 -4.218 7.007 1.00 0.00 N ATOM 0 H ARG A 47 -12.557 -4.995 1.426 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.594 -7.444 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.175 -4.851 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.599 -6.249 2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.916 -4.994 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.333 -4.124 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.157 -7.054 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.095 -5.968 5.272 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.874 -6.340 5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.496 -3.752 5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.367 -2.654 6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.988 -4.923 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.335 -3.314 7.474 1.00 0.00 H new ATOM 741 N LYS A 48 -14.899 -6.225 -0.793 1.00 0.00 N ATOM 742 CA LYS A 48 -15.697 -6.560 -1.966 1.00 0.00 C ATOM 743 C LYS A 48 -15.295 -7.920 -2.528 1.00 0.00 C ATOM 744 O LYS A 48 -16.128 -8.814 -2.672 1.00 0.00 O ATOM 745 CB LYS A 48 -15.536 -5.484 -3.043 1.00 0.00 C ATOM 746 CG LYS A 48 -16.386 -5.727 -4.278 1.00 0.00 C ATOM 747 CD LYS A 48 -15.910 -4.893 -5.455 1.00 0.00 C ATOM 748 CE LYS A 48 -14.728 -5.543 -6.158 1.00 0.00 C ATOM 749 NZ LYS A 48 -13.859 -4.537 -6.829 1.00 0.00 N ATOM 0 H LYS A 48 -14.429 -5.322 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.742 -6.607 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.797 -4.515 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.488 -5.431 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.352 -6.784 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.426 -5.487 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.728 -4.761 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.626 -3.900 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.139 -6.106 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.093 -6.258 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.030 -5.013 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.395 -4.064 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.545 -3.831 -6.133 1.00 0.00 H new ATOM 763 N VAL A 49 -14.012 -8.069 -2.843 1.00 0.00 N ATOM 764 CA VAL A 49 -13.499 -9.321 -3.387 1.00 0.00 C ATOM 765 C VAL A 49 -13.901 -10.504 -2.515 1.00 0.00 C ATOM 766 O VAL A 49 -14.496 -11.470 -2.995 1.00 0.00 O ATOM 767 CB VAL A 49 -11.964 -9.290 -3.514 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.488 -10.350 -4.495 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.493 -7.907 -3.941 1.00 0.00 C ATOM 0 H VAL A 49 -13.309 -7.338 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.936 -9.438 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.531 -9.511 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.401 -10.313 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.794 -11.335 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.927 -10.163 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.406 -7.903 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.933 -7.654 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.802 -7.172 -3.198 1.00 0.00 H new ATOM 779 N LEU A 50 -13.575 -10.424 -1.230 1.00 0.00 N ATOM 780 CA LEU A 50 -13.903 -11.489 -0.288 1.00 0.00 C ATOM 781 C LEU A 50 -15.344 -11.954 -0.473 1.00 0.00 C ATOM 782 O LEU A 50 -15.596 -13.115 -0.792 1.00 0.00 O ATOM 783 CB LEU A 50 -13.690 -11.010 1.149 1.00 0.00 C ATOM 784 CG LEU A 50 -12.351 -10.329 1.438 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.277 -9.894 2.893 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.196 -11.258 1.097 1.00 0.00 C ATOM 0 H LEU A 50 -13.083 -9.632 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.240 -12.332 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.491 -10.315 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.790 -11.867 1.815 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.273 -9.441 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.318 -9.412 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.084 -9.192 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.377 -10.766 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.251 -10.757 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.269 -12.165 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.239 -11.519 0.040 1.00 0.00 H new ATOM 798 N GLY A 51 -16.286 -11.038 -0.272 1.00 0.00 N ATOM 799 CA GLY A 51 -17.690 -11.373 -0.423 1.00 0.00 C ATOM 800 C GLY A 51 -17.985 -12.056 -1.744 1.00 0.00 C ATOM 801 O GLY A 51 -18.798 -12.977 -1.806 1.00 0.00 O ATOM 0 H GLY A 51 -16.102 -10.070 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.995 -12.025 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.287 -10.465 -0.346 1.00 0.00 H new ATOM 805 N ALA A 52 -17.322 -11.602 -2.803 1.00 0.00 N ATOM 806 CA ALA A 52 -17.517 -12.176 -4.129 1.00 0.00 C ATOM 807 C ALA A 52 -17.141 -13.654 -4.148 1.00 0.00 C ATOM 808 O ALA A 52 -17.808 -14.465 -4.788 1.00 0.00 O ATOM 809 CB ALA A 52 -16.703 -11.409 -5.161 1.00 0.00 C ATOM 0 H ALA A 52 -16.646 -10.839 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.574 -12.094 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.858 -11.848 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.022 -10.367 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.645 -11.462 -4.903 1.00 0.00 H new ATOM 815 N ASN A 53 -16.068 -13.996 -3.443 1.00 0.00 N ATOM 816 CA ASN A 53 -15.602 -15.377 -3.380 1.00 0.00 C ATOM 817 C ASN A 53 -16.128 -16.072 -2.128 1.00 0.00 C ATOM 818 O ASN A 53 -15.392 -16.783 -1.446 1.00 0.00 O ATOM 819 CB ASN A 53 -14.073 -15.422 -3.398 1.00 0.00 C ATOM 820 CG ASN A 53 -13.507 -15.269 -4.797 1.00 0.00 C ATOM 821 OD1 ASN A 53 -13.010 -16.228 -5.386 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.579 -14.056 -5.334 1.00 0.00 N ATOM 0 H ASN A 53 -15.504 -13.336 -2.907 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.985 -15.904 -4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.681 -14.628 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.735 -16.367 -2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.213 -13.891 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.000 -13.290 -4.809 1.00 0.00 H new ATOM 829 N ASN A 54 -17.407 -15.860 -1.834 1.00 0.00 N ATOM 830 CA ASN A 54 -18.032 -16.467 -0.664 1.00 0.00 C ATOM 831 C ASN A 54 -17.042 -16.563 0.493 1.00 0.00 C ATOM 832 O ASN A 54 -16.992 -17.572 1.198 1.00 0.00 O ATOM 833 CB ASN A 54 -18.568 -17.858 -1.009 1.00 0.00 C ATOM 834 CG ASN A 54 -19.238 -17.898 -2.369 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.340 -17.377 -2.545 1.00 0.00 O ATOM 836 ND2 ASN A 54 -18.575 -18.518 -3.337 1.00 0.00 N ATOM 0 H ASN A 54 -18.030 -15.273 -2.389 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.863 -15.832 -0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.748 -18.576 -0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.282 -18.169 -0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.976 -18.577 -4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.664 -18.935 -3.145 1.00 0.00 H new ATOM 843 N CYS A 55 -16.257 -15.509 0.682 1.00 0.00 N ATOM 844 CA CYS A 55 -15.268 -15.474 1.754 1.00 0.00 C ATOM 845 C CYS A 55 -15.734 -14.577 2.896 1.00 0.00 C ATOM 846 O CYS A 55 -16.434 -13.589 2.676 1.00 0.00 O ATOM 847 CB CYS A 55 -13.923 -14.981 1.218 1.00 0.00 C ATOM 848 SG CYS A 55 -13.041 -16.194 0.208 1.00 0.00 S ATOM 0 H CYS A 55 -16.286 -14.667 0.107 1.00 0.00 H new ATOM 0 HA CYS A 55 -15.149 -16.487 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -14.088 -14.082 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.291 -14.696 2.059 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.854 -16.700 -0.671 1.00 0.00 H new ATOM 854 N ASP A 56 -15.342 -14.929 4.115 1.00 0.00 N ATOM 855 CA ASP A 56 -15.721 -14.156 5.293 1.00 0.00 C ATOM 856 C ASP A 56 -14.561 -13.287 5.767 1.00 0.00 C ATOM 857 O ASP A 56 -13.420 -13.468 5.340 1.00 0.00 O ATOM 858 CB ASP A 56 -16.169 -15.089 6.419 1.00 0.00 C ATOM 859 CG ASP A 56 -16.793 -14.338 7.579 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.918 -13.821 7.414 1.00 0.00 O ATOM 861 OD2 ASP A 56 -16.156 -14.266 8.650 1.00 0.00 O ATOM 0 H ASP A 56 -14.762 -15.744 4.314 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.552 -13.505 5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.888 -15.808 6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.312 -15.659 6.778 1.00 0.00 H new ATOM 866 N TYR A 57 -14.860 -12.342 6.653 1.00 0.00 N ATOM 867 CA TYR A 57 -13.843 -11.442 7.183 1.00 0.00 C ATOM 868 C TYR A 57 -14.333 -10.754 8.453 1.00 0.00 C ATOM 869 O TYR A 57 -15.514 -10.434 8.581 1.00 0.00 O ATOM 870 CB TYR A 57 -13.464 -10.394 6.136 1.00 0.00 C ATOM 871 CG TYR A 57 -14.607 -10.007 5.224 1.00 0.00 C ATOM 872 CD1 TYR A 57 -14.987 -10.827 4.169 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.306 -8.823 5.420 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.030 -10.477 3.333 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.352 -8.466 4.590 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.710 -9.296 3.548 1.00 0.00 C ATOM 877 OH TYR A 57 -17.750 -8.945 2.719 1.00 0.00 O ATOM 0 H TYR A 57 -15.798 -12.180 7.019 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.962 -12.035 7.429 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.097 -9.502 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.642 -10.777 5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.458 -11.753 3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -15.028 -8.170 6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.311 -11.124 2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.886 -7.542 4.756 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.123 -8.086 3.008 1.00 0.00 H new ATOM 887 N GLU A 58 -13.416 -10.531 9.389 1.00 0.00 N ATOM 888 CA GLU A 58 -13.754 -9.881 10.650 1.00 0.00 C ATOM 889 C GLU A 58 -12.814 -8.712 10.929 1.00 0.00 C ATOM 890 O GLU A 58 -11.666 -8.907 11.327 1.00 0.00 O ATOM 891 CB GLU A 58 -13.690 -10.887 11.801 1.00 0.00 C ATOM 892 CG GLU A 58 -12.417 -11.716 11.815 1.00 0.00 C ATOM 893 CD GLU A 58 -12.310 -12.601 13.042 1.00 0.00 C ATOM 894 OE1 GLU A 58 -13.168 -13.494 13.205 1.00 0.00 O ATOM 895 OE2 GLU A 58 -11.370 -12.400 13.838 1.00 0.00 O ATOM 0 H GLU A 58 -12.434 -10.791 9.298 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.771 -9.496 10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.775 -10.351 12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.548 -11.556 11.736 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.382 -12.337 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.554 -11.051 11.775 1.00 0.00 H new ATOM 902 N GLN A 59 -13.310 -7.497 10.716 1.00 0.00 N ATOM 903 CA GLN A 59 -12.514 -6.297 10.944 1.00 0.00 C ATOM 904 C GLN A 59 -12.071 -6.205 12.400 1.00 0.00 C ATOM 905 O GLN A 59 -12.886 -5.975 13.294 1.00 0.00 O ATOM 906 CB GLN A 59 -13.314 -5.050 10.562 1.00 0.00 C ATOM 907 CG GLN A 59 -12.460 -3.935 9.980 1.00 0.00 C ATOM 908 CD GLN A 59 -13.023 -2.557 10.270 1.00 0.00 C ATOM 909 OE1 GLN A 59 -14.169 -2.259 9.934 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.217 -1.708 10.896 1.00 0.00 N ATOM 0 H GLN A 59 -14.258 -7.318 10.386 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.625 -6.357 10.317 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.079 -5.327 9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.833 -4.676 11.445 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.451 -4.004 10.388 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.378 -4.070 8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.274 -1.997 11.156 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.541 -0.766 11.117 1.00 0.00 H new ATOM 919 N ARG A 60 -10.775 -6.388 12.632 1.00 0.00 N ATOM 920 CA ARG A 60 -10.224 -6.328 13.980 1.00 0.00 C ATOM 921 C ARG A 60 -9.843 -4.897 14.348 1.00 0.00 C ATOM 922 O ARG A 60 -10.294 -4.366 15.363 1.00 0.00 O ATOM 923 CB ARG A 60 -9.000 -7.238 14.095 1.00 0.00 C ATOM 924 CG ARG A 60 -9.324 -8.715 13.942 1.00 0.00 C ATOM 925 CD ARG A 60 -9.648 -9.357 15.282 1.00 0.00 C ATOM 926 NE ARG A 60 -9.463 -10.805 15.254 1.00 0.00 N ATOM 927 CZ ARG A 60 -9.301 -11.546 16.345 1.00 0.00 C ATOM 928 NH1 ARG A 60 -9.303 -10.978 17.543 1.00 0.00 N ATOM 929 NH2 ARG A 60 -9.139 -12.859 16.238 1.00 0.00 N ATOM 0 H ARG A 60 -10.087 -6.579 11.903 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.991 -6.672 14.674 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.273 -6.953 13.334 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.527 -7.077 15.064 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.171 -8.835 13.266 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.477 -9.229 13.487 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.011 -8.925 16.054 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.679 -9.128 15.554 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.458 -11.273 14.348 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.429 -9.969 17.629 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.178 -11.550 18.379 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.139 -13.300 15.318 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.015 -13.427 17.076 1.00 0.00 H new ATOM 943 N GLU A 61 -9.011 -4.279 13.516 1.00 0.00 N ATOM 944 CA GLU A 61 -8.569 -2.910 13.756 1.00 0.00 C ATOM 945 C GLU A 61 -9.026 -1.986 12.631 1.00 0.00 C ATOM 946 O GLU A 61 -9.650 -2.427 11.666 1.00 0.00 O ATOM 947 CB GLU A 61 -7.045 -2.858 13.886 1.00 0.00 C ATOM 948 CG GLU A 61 -6.504 -3.687 15.038 1.00 0.00 C ATOM 949 CD GLU A 61 -5.111 -3.261 15.460 1.00 0.00 C ATOM 950 OE1 GLU A 61 -4.305 -2.906 14.575 1.00 0.00 O ATOM 951 OE2 GLU A 61 -4.828 -3.283 16.677 1.00 0.00 O ATOM 0 H GLU A 61 -8.630 -4.704 12.671 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.018 -2.568 14.689 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.597 -3.208 12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.735 -1.821 14.019 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.179 -3.603 15.890 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.486 -4.738 14.748 1.00 0.00 H new ATOM 958 N ARG A 62 -8.711 -0.701 12.764 1.00 0.00 N ATOM 959 CA ARG A 62 -9.091 0.286 11.760 1.00 0.00 C ATOM 960 C ARG A 62 -8.514 -0.077 10.395 1.00 0.00 C ATOM 961 O ARG A 62 -9.246 -0.196 9.412 1.00 0.00 O ATOM 962 CB ARG A 62 -8.610 1.677 12.175 1.00 0.00 C ATOM 963 CG ARG A 62 -8.724 2.716 11.072 1.00 0.00 C ATOM 964 CD ARG A 62 -8.954 4.108 11.638 1.00 0.00 C ATOM 965 NE ARG A 62 -10.358 4.340 11.967 1.00 0.00 N ATOM 966 CZ ARG A 62 -11.265 4.735 11.080 1.00 0.00 C ATOM 967 NH1 ARG A 62 -10.917 4.941 9.818 1.00 0.00 N ATOM 968 NH2 ARG A 62 -12.523 4.925 11.456 1.00 0.00 N ATOM 0 H ARG A 62 -8.194 -0.320 13.556 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.178 0.292 11.686 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.188 2.010 13.037 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.570 1.612 12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.814 2.712 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.546 2.453 10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.345 4.241 12.532 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.623 4.853 10.914 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.659 4.191 12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.951 4.796 9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.615 5.244 9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.794 4.768 12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.219 5.228 10.775 1.00 0.00 H new ATOM 982 N PHE A 63 -7.198 -0.252 10.342 1.00 0.00 N ATOM 983 CA PHE A 63 -6.522 -0.600 9.098 1.00 0.00 C ATOM 984 C PHE A 63 -6.139 -2.076 9.081 1.00 0.00 C ATOM 985 O PHE A 63 -5.076 -2.448 8.583 1.00 0.00 O ATOM 986 CB PHE A 63 -5.273 0.265 8.912 1.00 0.00 C ATOM 987 CG PHE A 63 -5.575 1.667 8.465 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.236 1.900 7.270 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.200 2.751 9.242 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.514 3.189 6.856 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.476 4.043 8.834 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.135 4.262 7.640 1.00 0.00 C ATOM 0 H PHE A 63 -6.578 -0.158 11.147 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.211 -0.413 8.275 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.724 0.303 9.853 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.619 -0.208 8.180 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.537 1.065 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.686 2.585 10.177 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.027 3.358 5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.177 4.880 9.448 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.354 5.270 7.320 1.00 0.00 H new ATOM 1002 N LEU A 64 -7.012 -2.914 9.629 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.767 -4.351 9.679 1.00 0.00 C ATOM 1004 C LEU A 64 -8.041 -5.132 9.371 1.00 0.00 C ATOM 1005 O LEU A 64 -9.143 -4.702 9.713 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.231 -4.750 11.055 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.567 -6.125 11.144 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.148 -6.069 10.602 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.573 -6.627 12.581 1.00 0.00 C ATOM 0 H LEU A 64 -7.896 -2.623 10.045 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.022 -4.594 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.508 -3.999 11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.056 -4.720 11.767 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.139 -6.824 10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.692 -7.056 10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.169 -5.754 9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.564 -5.356 11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.097 -7.606 12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.025 -5.928 13.213 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.601 -6.707 12.934 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.882 -6.282 8.726 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.019 -7.125 8.374 1.00 0.00 C ATOM 1023 C LEU A 65 -8.609 -8.593 8.309 1.00 0.00 C ATOM 1024 O LEU A 65 -7.637 -8.948 7.642 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.607 -6.688 7.031 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.714 -5.636 7.093 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.781 -4.853 5.791 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.055 -6.289 7.394 1.00 0.00 C ATOM 0 H LEU A 65 -6.977 -6.652 8.436 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.777 -7.012 9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.798 -6.299 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.000 -7.570 6.525 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.482 -4.941 7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.575 -4.109 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.828 -4.353 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.988 -5.535 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.831 -5.525 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.294 -7.008 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.002 -6.803 8.354 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.358 -9.442 9.004 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.074 -10.873 9.025 1.00 0.00 C ATOM 1042 C PHE A 66 -9.664 -11.562 7.799 1.00 0.00 C ATOM 1043 O PHE A 66 -10.831 -11.957 7.797 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.633 -11.507 10.300 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.934 -12.777 10.694 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.658 -12.742 11.234 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.553 -14.005 10.526 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.013 -13.908 11.597 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -8.912 -15.175 10.888 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.641 -15.126 11.425 1.00 0.00 C ATOM 0 H PHE A 66 -10.167 -9.164 9.560 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.992 -11.004 9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.555 -10.790 11.117 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.694 -11.714 10.158 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.163 -11.792 11.372 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.548 -14.049 10.107 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.018 -13.867 12.015 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.405 -16.126 10.751 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.139 -16.039 11.710 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.851 -11.703 6.758 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.292 -12.344 5.524 1.00 0.00 C ATOM 1062 C CYS A 67 -9.222 -13.863 5.645 1.00 0.00 C ATOM 1063 O CYS A 67 -8.176 -14.422 5.975 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.437 -11.873 4.346 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.387 -10.078 4.142 1.00 0.00 S ATOM 0 H CYS A 67 -7.883 -11.382 6.744 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.329 -12.060 5.346 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.420 -12.241 4.479 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.821 -12.322 3.430 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.844 -9.786 2.998 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.342 -14.525 5.376 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.408 -15.980 5.455 1.00 0.00 C ATOM 1073 C VAL A 68 -11.289 -16.551 4.349 1.00 0.00 C ATOM 1074 O VAL A 68 -12.402 -16.076 4.120 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.950 -16.444 6.820 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.425 -16.096 6.955 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.728 -17.938 7.001 1.00 0.00 C ATOM 0 H VAL A 68 -11.216 -14.077 5.101 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.390 -16.350 5.332 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.404 -15.921 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.791 -16.431 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.553 -15.017 6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.989 -16.590 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.117 -18.249 7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.247 -18.481 6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.661 -18.156 6.951 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.784 -17.573 3.667 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.526 -18.211 2.585 1.00 0.00 C ATOM 1089 C HIS A 69 -11.992 -19.605 2.993 1.00 0.00 C ATOM 1090 O HIS A 69 -11.282 -20.328 3.691 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.661 -18.298 1.327 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.199 -19.239 0.294 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.426 -20.199 -0.326 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.442 -19.366 -0.227 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.170 -20.873 -1.184 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.398 -20.388 -1.143 1.00 0.00 N ATOM 0 H HIS A 69 -9.864 -17.977 3.844 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.404 -17.602 2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.570 -17.304 0.889 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.657 -18.615 1.608 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -13.308 -18.773 0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.832 -21.683 -1.813 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -13.185 -20.719 -1.701 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.191 -19.976 2.554 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.731 -21.282 2.885 1.00 0.00 C ATOM 1107 C GLY A 70 -14.200 -22.042 1.661 1.00 0.00 C ATOM 1108 O GLY A 70 -14.834 -21.472 0.772 1.00 0.00 O ATOM 0 H GLY A 70 -13.798 -19.396 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.970 -21.866 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.565 -21.162 3.576 1.00 0.00 H new ATOM 1112 N ASP A 71 -13.888 -23.332 1.612 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.282 -24.172 0.487 1.00 0.00 C ATOM 1114 C ASP A 71 -15.065 -25.390 0.966 1.00 0.00 C ATOM 1115 O ASP A 71 -16.146 -25.685 0.458 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.048 -24.621 -0.299 1.00 0.00 C ATOM 1117 CG ASP A 71 -13.359 -24.895 -1.757 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -13.842 -26.005 -2.062 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -13.117 -24.000 -2.594 1.00 0.00 O ATOM 0 H ASP A 71 -13.363 -23.819 2.338 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.925 -23.583 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.279 -23.852 -0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.638 -25.522 0.158 1.00 0.00 H new ATOM 1124 N GLY A 72 -14.511 -26.096 1.948 1.00 0.00 N ATOM 1125 CA GLY A 72 -15.171 -27.274 2.478 1.00 0.00 C ATOM 1126 C GLY A 72 -14.689 -27.632 3.870 1.00 0.00 C ATOM 1127 O GLY A 72 -15.493 -27.897 4.764 1.00 0.00 O ATOM 0 H GLY A 72 -13.617 -25.872 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.247 -27.104 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.997 -28.116 1.809 1.00 0.00 H new ATOM 1131 N HIS A 73 -13.373 -27.641 4.055 1.00 0.00 N ATOM 1132 CA HIS A 73 -12.784 -27.969 5.348 1.00 0.00 C ATOM 1133 C HIS A 73 -11.489 -27.194 5.569 1.00 0.00 C ATOM 1134 O HIS A 73 -11.031 -26.468 4.687 1.00 0.00 O ATOM 1135 CB HIS A 73 -12.516 -29.472 5.443 1.00 0.00 C ATOM 1136 CG HIS A 73 -13.685 -30.259 5.948 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -13.716 -30.843 7.197 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -14.871 -30.555 5.366 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -14.870 -31.466 7.361 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -15.589 -31.306 6.264 1.00 0.00 N ATOM 0 H HIS A 73 -12.694 -27.425 3.325 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.493 -27.684 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.236 -29.845 4.458 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.664 -29.640 6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.193 -30.256 4.379 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -15.174 -32.013 8.242 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.525 -31.680 6.109 1.00 0.00 H new ATOM 1149 N ALA A 74 -10.904 -27.353 6.751 1.00 0.00 N ATOM 1150 CA ALA A 74 -9.661 -26.669 7.087 1.00 0.00 C ATOM 1151 C ALA A 74 -8.677 -26.717 5.924 1.00 0.00 C ATOM 1152 O ALA A 74 -8.149 -25.688 5.503 1.00 0.00 O ATOM 1153 CB ALA A 74 -9.040 -27.284 8.333 1.00 0.00 C ATOM 0 H ALA A 74 -11.271 -27.950 7.493 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.893 -25.623 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.113 -26.764 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.734 -27.192 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.828 -28.338 8.152 1.00 0.00 H new ATOM 1159 N GLU A 75 -8.434 -27.919 5.410 1.00 0.00 N ATOM 1160 CA GLU A 75 -7.510 -28.100 4.295 1.00 0.00 C ATOM 1161 C GLU A 75 -7.663 -26.976 3.274 1.00 0.00 C ATOM 1162 O GLU A 75 -6.676 -26.416 2.800 1.00 0.00 O ATOM 1163 CB GLU A 75 -7.749 -29.452 3.621 1.00 0.00 C ATOM 1164 CG GLU A 75 -7.323 -30.639 4.469 1.00 0.00 C ATOM 1165 CD GLU A 75 -5.848 -30.607 4.819 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -5.017 -30.753 3.898 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -5.525 -30.435 6.013 1.00 0.00 O ATOM 0 H GLU A 75 -8.863 -28.781 5.747 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.494 -28.073 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.808 -29.548 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.207 -29.478 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.910 -30.654 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.545 -31.562 3.933 1.00 0.00 H new ATOM 1174 N ASN A 76 -8.908 -26.652 2.941 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.191 -25.597 1.975 1.00 0.00 C ATOM 1176 C ASN A 76 -9.219 -24.231 2.655 1.00 0.00 C ATOM 1177 O ASN A 76 -8.855 -23.219 2.055 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.527 -25.859 1.278 1.00 0.00 C ATOM 1179 CG ASN A 76 -10.644 -27.282 0.768 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -10.425 -27.550 -0.413 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -10.990 -28.204 1.660 1.00 0.00 N ATOM 0 H ASN A 76 -9.737 -27.105 3.326 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.395 -25.597 1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.342 -25.657 1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.640 -25.167 0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.083 -29.179 1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.162 -27.937 2.629 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.652 -24.210 3.911 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.727 -22.969 4.674 1.00 0.00 C ATOM 1190 C LEU A 77 -8.342 -22.356 4.854 1.00 0.00 C ATOM 1191 O LEU A 77 -7.386 -23.048 5.202 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.365 -23.225 6.040 1.00 0.00 C ATOM 1193 CG LEU A 77 -11.012 -22.016 6.716 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.462 -21.873 6.280 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.918 -22.138 8.230 1.00 0.00 C ATOM 0 H LEU A 77 -9.956 -25.038 4.422 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.346 -22.266 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.122 -24.000 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.600 -23.623 6.707 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.472 -21.120 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.906 -21.007 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.505 -21.739 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.015 -22.770 6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.384 -21.269 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.433 -23.042 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.870 -22.190 8.526 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.243 -21.052 4.615 1.00 0.00 N ATOM 1208 CA VAL A 78 -6.976 -20.344 4.753 1.00 0.00 C ATOM 1209 C VAL A 78 -7.171 -18.996 5.438 1.00 0.00 C ATOM 1210 O VAL A 78 -7.933 -18.154 4.964 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.305 -20.120 3.385 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.040 -19.291 3.540 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.001 -21.452 2.717 1.00 0.00 C ATOM 0 H VAL A 78 -9.025 -20.465 4.325 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.330 -20.971 5.368 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.996 -19.569 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.580 -19.143 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.290 -18.323 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.342 -19.812 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.527 -21.275 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.329 -22.032 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.929 -22.005 2.570 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.478 -18.799 6.555 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.576 -17.553 7.305 1.00 0.00 C ATOM 1225 C GLN A 79 -5.365 -16.663 7.042 1.00 0.00 C ATOM 1226 O GLN A 79 -4.222 -17.102 7.165 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.696 -17.842 8.802 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.026 -18.463 9.197 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.951 -19.218 10.509 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.228 -18.824 11.425 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.699 -20.311 10.608 1.00 0.00 N ATOM 0 H GLN A 79 -5.843 -19.486 6.960 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.470 -17.027 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.889 -18.511 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.560 -16.913 9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.779 -17.679 9.276 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.354 -19.142 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.284 -20.602 9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.689 -20.860 11.468 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.625 -15.412 6.680 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.556 -14.460 6.399 1.00 0.00 C ATOM 1242 C TRP A 80 -5.011 -13.032 6.681 1.00 0.00 C ATOM 1243 O TRP A 80 -6.009 -12.570 6.130 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.102 -14.586 4.944 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.013 -13.894 3.975 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -4.894 -12.616 3.509 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.182 -14.442 3.356 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -5.919 -12.336 2.638 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.722 -13.440 2.526 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.823 -15.682 3.421 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -7.873 -13.642 1.770 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -7.966 -15.880 2.670 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.481 -14.865 1.852 1.00 0.00 C ATOM 0 H TRP A 80 -6.566 -15.033 6.574 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.717 -14.690 7.055 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.098 -14.172 4.847 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.038 -15.642 4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.110 -11.927 3.785 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.059 -11.450 2.153 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.432 -16.471 4.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.272 -12.861 1.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.471 -16.833 2.714 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.375 -15.052 1.275 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.272 -12.339 7.541 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.601 -10.963 7.895 1.00 0.00 C ATOM 1266 C GLU A 81 -4.048 -9.988 6.860 1.00 0.00 C ATOM 1267 O GLU A 81 -2.852 -9.987 6.570 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.047 -10.623 9.280 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.594 -11.508 10.388 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.631 -10.805 11.731 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -5.591 -10.045 11.978 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -3.700 -11.015 12.536 1.00 0.00 O ATOM 0 H GLU A 81 -3.442 -12.707 8.005 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.687 -10.869 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.961 -10.711 9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.278 -9.583 9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.600 -11.833 10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.980 -12.405 10.468 1.00 0.00 H new ATOM 1279 N MET A 82 -4.927 -9.159 6.308 1.00 0.00 N ATOM 1280 CA MET A 82 -4.527 -8.178 5.306 1.00 0.00 C ATOM 1281 C MET A 82 -4.417 -6.786 5.921 1.00 0.00 C ATOM 1282 O MET A 82 -5.423 -6.105 6.120 1.00 0.00 O ATOM 1283 CB MET A 82 -5.529 -8.160 4.150 1.00 0.00 C ATOM 1284 CG MET A 82 -5.259 -9.219 3.094 1.00 0.00 C ATOM 1285 SD MET A 82 -6.330 -9.054 1.654 1.00 0.00 S ATOM 1286 CE MET A 82 -5.699 -7.540 0.935 1.00 0.00 C ATOM 0 H MET A 82 -5.921 -9.147 6.537 1.00 0.00 H new ATOM 0 HA MET A 82 -3.548 -8.465 4.924 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.533 -8.304 4.548 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.511 -7.177 3.680 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.218 -9.153 2.777 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.397 -10.207 3.533 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.456 -6.759 1.008 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.803 -7.228 1.472 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.453 -7.710 -0.113 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.190 -6.371 6.220 1.00 0.00 N ATOM 1297 CA GLU A 83 -2.951 -5.061 6.813 1.00 0.00 C ATOM 1298 C GLU A 83 -2.496 -4.059 5.756 1.00 0.00 C ATOM 1299 O GLU A 83 -1.599 -4.342 4.962 1.00 0.00 O ATOM 1300 CB GLU A 83 -1.900 -5.162 7.921 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.562 -3.827 8.563 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.799 -3.982 9.864 1.00 0.00 C ATOM 1303 OE1 GLU A 83 0.387 -4.370 9.814 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.388 -3.716 10.932 1.00 0.00 O ATOM 0 H GLU A 83 -2.347 -6.923 6.061 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.889 -4.709 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.260 -5.845 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.990 -5.598 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.969 -3.233 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.483 -3.274 8.750 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.123 -2.887 5.752 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.783 -1.842 4.793 1.00 0.00 C ATOM 1313 C VAL A 84 -1.663 -0.953 5.322 1.00 0.00 C ATOM 1314 O VAL A 84 -1.911 0.003 6.058 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.005 -0.966 4.461 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.626 0.129 3.475 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.139 -1.820 3.912 1.00 0.00 C ATOM 0 H VAL A 84 -3.869 -2.637 6.402 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.447 -2.343 3.885 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.350 -0.491 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.502 0.738 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.849 0.757 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.255 -0.322 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.995 -1.185 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.808 -2.325 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.428 -2.563 4.655 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.431 -1.274 4.943 1.00 0.00 N ATOM 1328 CA CYS A 85 0.728 -0.504 5.380 1.00 0.00 C ATOM 1329 C CYS A 85 0.553 0.975 5.054 1.00 0.00 C ATOM 1330 O CYS A 85 -0.477 1.387 4.519 1.00 0.00 O ATOM 1331 CB CYS A 85 1.999 -1.038 4.718 1.00 0.00 C ATOM 1332 SG CYS A 85 3.492 -0.837 5.719 1.00 0.00 S ATOM 0 H CYS A 85 -0.209 -2.062 4.334 1.00 0.00 H new ATOM 0 HA CYS A 85 0.818 -0.610 6.461 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.863 -2.096 4.496 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.142 -0.528 3.765 1.00 0.00 H new ATOM 0 HG CYS A 85 4.514 -1.320 5.076 1.00 0.00 H new ATOM 1466 N ASN A 93 -0.581 2.471 -0.798 1.00 0.00 N ATOM 1467 CA ASN A 93 -1.047 1.731 0.369 1.00 0.00 C ATOM 1468 C ASN A 93 -0.491 0.310 0.371 1.00 0.00 C ATOM 1469 O ASN A 93 -1.107 -0.609 -0.165 1.00 0.00 O ATOM 1470 CB ASN A 93 -2.576 1.692 0.397 1.00 0.00 C ATOM 1471 CG ASN A 93 -3.173 1.448 -0.975 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -3.631 2.379 -1.639 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -3.171 0.193 -1.407 1.00 0.00 N ATOM 0 HA ASN A 93 -0.687 2.244 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.904 0.907 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.954 2.635 0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.559 -0.032 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.781 -0.547 -0.823 1.00 0.00 H new ATOM 1480 N GLY A 94 0.679 0.139 0.980 1.00 0.00 N ATOM 1481 CA GLY A 94 1.299 -1.171 1.040 1.00 0.00 C ATOM 1482 C GLY A 94 0.329 -2.252 1.474 1.00 0.00 C ATOM 1483 O GLY A 94 -0.465 -2.051 2.393 1.00 0.00 O ATOM 0 H GLY A 94 1.208 0.885 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.704 -1.423 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.139 -1.141 1.734 1.00 0.00 H new ATOM 1487 N VAL A 95 0.391 -3.402 0.811 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.490 -4.519 1.132 1.00 0.00 C ATOM 1489 C VAL A 95 0.303 -5.808 1.318 1.00 0.00 C ATOM 1490 O VAL A 95 0.762 -6.412 0.348 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.548 -4.734 0.034 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.564 -5.779 0.469 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.235 -3.420 -0.307 1.00 0.00 C ATOM 0 H VAL A 95 1.042 -3.585 0.048 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.993 -4.267 2.066 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.048 -5.100 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.304 -5.918 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.055 -6.724 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.062 -5.445 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.980 -3.590 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.724 -3.023 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.495 -2.704 -0.664 1.00 0.00 H new ATOM 1503 N ARG A 96 0.460 -6.224 2.571 1.00 0.00 N ATOM 1504 CA ARG A 96 1.199 -7.441 2.884 1.00 0.00 C ATOM 1505 C ARG A 96 0.245 -8.586 3.212 1.00 0.00 C ATOM 1506 O ARG A 96 -0.891 -8.361 3.632 1.00 0.00 O ATOM 1507 CB ARG A 96 2.146 -7.200 4.060 1.00 0.00 C ATOM 1508 CG ARG A 96 3.142 -8.327 4.281 1.00 0.00 C ATOM 1509 CD ARG A 96 4.414 -7.824 4.946 1.00 0.00 C ATOM 1510 NE ARG A 96 5.139 -8.897 5.622 1.00 0.00 N ATOM 1511 CZ ARG A 96 4.808 -9.368 6.819 1.00 0.00 C ATOM 1512 NH1 ARG A 96 3.768 -8.863 7.469 1.00 0.00 N ATOM 1513 NH2 ARG A 96 5.517 -10.345 7.368 1.00 0.00 N ATOM 0 H ARG A 96 0.086 -5.736 3.385 1.00 0.00 H new ATOM 0 HA ARG A 96 1.784 -7.717 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.692 -6.272 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.558 -7.063 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.687 -9.100 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.388 -8.789 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.059 -7.367 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.163 -7.046 5.667 1.00 0.00 H new ATOM 0 HE ARG A 96 5.944 -9.307 5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.221 -8.111 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.516 -9.226 8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.318 -10.736 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.262 -10.706 8.287 1.00 0.00 H new ATOM 1527 N PHE A 97 0.714 -9.814 3.018 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.098 -10.995 3.291 1.00 0.00 C ATOM 1529 C PHE A 97 0.605 -11.920 4.281 1.00 0.00 C ATOM 1530 O PHE A 97 1.729 -12.362 4.045 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.395 -11.748 1.993 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.508 -11.141 1.189 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.452 -9.814 0.794 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.612 -11.898 0.828 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.476 -9.253 0.054 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.638 -11.342 0.087 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.570 -10.017 -0.299 1.00 0.00 C ATOM 0 H PHE A 97 1.652 -10.018 2.673 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.038 -10.665 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.509 -11.776 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.651 -12.780 2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.599 -9.211 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.671 -12.934 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.420 -8.218 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.492 -11.943 -0.190 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.372 -9.580 -0.876 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.067 -12.209 5.390 1.00 0.00 N ATOM 1548 CA LYS A 98 0.490 -13.083 6.416 1.00 0.00 C ATOM 1549 C LYS A 98 -0.313 -14.375 6.526 1.00 0.00 C ATOM 1550 O LYS A 98 -1.542 -14.361 6.453 1.00 0.00 O ATOM 1551 CB LYS A 98 0.510 -12.366 7.769 1.00 0.00 C ATOM 1552 CG LYS A 98 0.913 -13.263 8.926 1.00 0.00 C ATOM 1553 CD LYS A 98 1.360 -12.452 10.131 1.00 0.00 C ATOM 1554 CE LYS A 98 1.309 -13.276 11.408 1.00 0.00 C ATOM 1555 NZ LYS A 98 2.577 -14.022 11.638 1.00 0.00 N ATOM 0 H LYS A 98 -0.998 -11.851 5.601 1.00 0.00 H new ATOM 0 HA LYS A 98 1.511 -13.334 6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.201 -11.525 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.479 -11.954 7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.072 -13.898 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.721 -13.924 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.376 -12.090 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.722 -11.575 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.115 -12.620 12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.478 -13.980 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.502 -14.571 12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.750 -14.667 10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.366 -13.349 11.716 1.00 0.00 H new ATOM 1569 N ARG A 99 0.390 -15.489 6.702 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.258 -16.790 6.822 1.00 0.00 C ATOM 1571 C ARG A 99 -0.637 -17.077 8.272 1.00 0.00 C ATOM 1572 O ARG A 99 0.229 -17.317 9.114 1.00 0.00 O ATOM 1573 CB ARG A 99 0.663 -17.892 6.296 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.036 -19.228 6.103 1.00 0.00 C ATOM 1575 CD ARG A 99 0.829 -20.200 5.315 1.00 0.00 C ATOM 1576 NE ARG A 99 1.806 -20.876 6.164 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.342 -22.056 5.873 1.00 0.00 C ATOM 1578 NH1 ARG A 99 1.997 -22.687 4.760 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.225 -22.606 6.696 1.00 0.00 N ATOM 0 H ARG A 99 1.408 -15.517 6.765 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.169 -16.771 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.090 -17.574 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.493 -18.023 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.276 -19.658 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.980 -19.074 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.193 -20.942 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.349 -19.662 4.522 1.00 0.00 H new ATOM 0 HE ARG A 99 2.093 -20.417 7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.319 -22.267 4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.410 -23.593 4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.493 -22.123 7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.636 -23.512 6.472 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.935 -17.050 8.556 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.427 -17.308 9.903 1.00 0.00 C ATOM 1595 C ILE A 100 -2.626 -18.802 10.139 1.00 0.00 C ATOM 1596 O ILE A 100 -2.246 -19.332 11.183 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.756 -16.577 10.166 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.564 -15.064 10.047 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.298 -16.940 11.541 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.010 -14.424 11.301 1.00 0.00 C ATOM 0 H ILE A 100 -2.664 -16.852 7.871 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.672 -16.931 10.593 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.481 -16.893 9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.891 -14.856 9.215 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.522 -14.602 9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.238 -16.415 11.712 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.468 -18.015 11.593 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.576 -16.650 12.305 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.900 -13.351 11.144 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.693 -14.601 12.132 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.037 -14.858 11.532 1.00 0.00 H new ATOM 1612 N SER A 101 -3.223 -19.475 9.161 1.00 0.00 N ATOM 1613 CA SER A 101 -3.475 -20.908 9.263 1.00 0.00 C ATOM 1614 C SER A 101 -3.902 -21.481 7.915 1.00 0.00 C ATOM 1615 O SER A 101 -4.065 -20.749 6.940 1.00 0.00 O ATOM 1616 CB SER A 101 -4.552 -21.185 10.313 1.00 0.00 C ATOM 1617 OG SER A 101 -5.850 -21.025 9.766 1.00 0.00 O ATOM 0 H SER A 101 -3.541 -19.052 8.289 1.00 0.00 H new ATOM 0 HA SER A 101 -2.548 -21.394 9.568 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.438 -22.199 10.697 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.424 -20.508 11.158 1.00 0.00 H new ATOM 0 HG SER A 101 -6.475 -21.625 10.225 1.00 0.00 H new ATOM 1623 N GLY A 102 -4.083 -22.798 7.869 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.490 -23.449 6.638 1.00 0.00 C ATOM 1625 C GLY A 102 -3.324 -24.082 5.904 1.00 0.00 C ATOM 1626 O GLY A 102 -2.472 -24.728 6.516 1.00 0.00 O ATOM 0 H GLY A 102 -3.955 -23.425 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.232 -24.215 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.972 -22.720 5.987 1.00 0.00 H new ATOM 1630 N THR A 103 -3.286 -23.900 4.588 1.00 0.00 N ATOM 1631 CA THR A 103 -2.218 -24.461 3.770 1.00 0.00 C ATOM 1632 C THR A 103 -1.557 -23.385 2.915 1.00 0.00 C ATOM 1633 O THR A 103 -2.147 -22.336 2.655 1.00 0.00 O ATOM 1634 CB THR A 103 -2.743 -25.579 2.850 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.934 -25.146 2.183 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.033 -26.843 3.647 1.00 0.00 C ATOM 0 H THR A 103 -3.983 -23.368 4.066 1.00 0.00 H new ATOM 0 HA THR A 103 -1.482 -24.880 4.456 1.00 0.00 H new ATOM 0 HB THR A 103 -1.974 -25.802 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.701 -25.654 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.403 -27.619 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.118 -27.186 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.786 -26.630 4.406 1.00 0.00 H new ATOM 1644 N SER A 104 -0.330 -23.652 2.480 1.00 0.00 N ATOM 1645 CA SER A 104 0.413 -22.705 1.657 1.00 0.00 C ATOM 1646 C SER A 104 -0.159 -22.649 0.244 1.00 0.00 C ATOM 1647 O SER A 104 -0.552 -21.585 -0.237 1.00 0.00 O ATOM 1648 CB SER A 104 1.892 -23.091 1.605 1.00 0.00 C ATOM 1649 OG SER A 104 2.058 -24.492 1.742 1.00 0.00 O ATOM 0 H SER A 104 0.171 -24.517 2.684 1.00 0.00 H new ATOM 0 HA SER A 104 0.319 -21.718 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.324 -22.761 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.433 -22.578 2.400 1.00 0.00 H new ATOM 0 HG SER A 104 3.012 -24.714 1.704 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.203 -23.801 -0.417 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.727 -23.884 -1.774 1.00 0.00 C ATOM 1657 C ILE A 105 -1.951 -22.990 -1.946 1.00 0.00 C ATOM 1658 O ILE A 105 -1.938 -22.047 -2.736 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.106 -25.330 -2.144 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.154 -26.161 -2.397 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.010 -25.345 -3.367 1.00 0.00 C ATOM 1662 CD1 ILE A 105 1.100 -25.535 -3.398 1.00 0.00 C ATOM 0 H ILE A 105 0.118 -24.690 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 105 0.066 -23.543 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.650 -25.772 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.680 -26.305 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.138 -27.149 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.269 -26.374 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.920 -24.783 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.490 -24.888 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.970 -26.178 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.591 -25.416 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.421 -24.559 -3.034 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.008 -23.293 -1.199 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.239 -22.515 -1.265 1.00 0.00 C ATOM 1676 C ALA A 106 -3.983 -21.052 -0.921 1.00 0.00 C ATOM 1677 O ALA A 106 -4.511 -20.150 -1.571 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.286 -23.104 -0.331 1.00 0.00 C ATOM 0 H ALA A 106 -3.036 -24.072 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.614 -22.560 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.200 -22.513 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.499 -24.132 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.910 -23.089 0.692 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.170 -20.824 0.105 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.846 -19.469 0.537 1.00 0.00 C ATOM 1686 C PHE A 107 -2.386 -18.618 -0.643 1.00 0.00 C ATOM 1687 O PHE A 107 -2.702 -17.431 -0.728 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.758 -19.500 1.612 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.380 -18.139 2.123 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -0.434 -17.374 1.461 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -1.972 -17.625 3.265 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -0.084 -16.122 1.929 1.00 0.00 C ATOM 1693 CE2 PHE A 107 -1.627 -16.373 3.738 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.682 -15.620 3.068 1.00 0.00 C ATOM 0 H PHE A 107 -2.723 -21.560 0.653 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.748 -19.022 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.101 -20.110 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.871 -19.986 1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.036 -17.761 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.712 -18.209 3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.657 -15.537 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.095 -15.984 4.630 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.412 -14.641 3.434 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.636 -19.233 -1.552 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.132 -18.534 -2.728 1.00 0.00 C ATOM 1706 C LYS A 108 -2.147 -18.582 -3.866 1.00 0.00 C ATOM 1707 O LYS A 108 -2.502 -17.552 -4.437 1.00 0.00 O ATOM 1708 CB LYS A 108 0.192 -19.151 -3.185 1.00 0.00 C ATOM 1709 CG LYS A 108 1.295 -19.064 -2.144 1.00 0.00 C ATOM 1710 CD LYS A 108 2.268 -20.224 -2.264 1.00 0.00 C ATOM 1711 CE LYS A 108 3.157 -20.080 -3.490 1.00 0.00 C ATOM 1712 NZ LYS A 108 2.525 -20.666 -4.705 1.00 0.00 N ATOM 0 H LYS A 108 -1.364 -20.214 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.966 -17.492 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.026 -20.198 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.522 -18.649 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.833 -18.123 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.855 -19.058 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.887 -20.276 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.714 -21.161 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.368 -19.025 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.113 -20.570 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.264 -20.937 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.974 -21.507 -4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.895 -19.963 -5.142 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.610 -19.785 -4.189 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.585 -19.967 -5.259 1.00 0.00 C ATOM 1728 C ASN A 109 -4.728 -18.964 -5.129 1.00 0.00 C ATOM 1729 O ASN A 109 -5.224 -18.441 -6.127 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.137 -21.393 -5.237 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.236 -22.374 -5.962 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.291 -22.496 -7.186 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -2.400 -23.077 -5.208 1.00 0.00 N ATOM 0 H ASN A 109 -2.326 -20.648 -3.726 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.081 -19.795 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.262 -21.715 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.125 -21.404 -5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.768 -23.752 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.389 -22.943 -4.197 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.140 -18.703 -3.893 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.223 -17.763 -3.632 1.00 0.00 C ATOM 1742 C ILE A 110 -5.714 -16.325 -3.631 1.00 0.00 C ATOM 1743 O ILE A 110 -6.452 -15.395 -3.956 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.909 -18.054 -2.285 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.144 -17.167 -2.114 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.934 -17.839 -1.137 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.295 -17.554 -3.016 1.00 0.00 C ATOM 0 H ILE A 110 -4.740 -19.129 -3.057 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.950 -17.888 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.229 -19.096 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.474 -17.214 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.868 -16.132 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.434 -18.049 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.082 -18.508 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.587 -16.806 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.136 -16.883 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.982 -17.480 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.598 -18.579 -2.800 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.449 -16.151 -3.265 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.840 -14.827 -3.225 1.00 0.00 C ATOM 1761 C ALA A 111 -3.848 -14.178 -4.604 1.00 0.00 C ATOM 1762 O ALA A 111 -4.014 -12.964 -4.729 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.419 -14.916 -2.689 1.00 0.00 C ATOM 0 H ALA A 111 -3.825 -16.910 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.430 -14.202 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.976 -13.920 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.436 -15.331 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.826 -15.561 -3.337 1.00 0.00 H new ATOM 1769 N SER A 112 -3.667 -14.993 -5.638 1.00 0.00 N ATOM 1770 CA SER A 112 -3.648 -14.497 -7.009 1.00 0.00 C ATOM 1771 C SER A 112 -4.978 -13.840 -7.367 1.00 0.00 C ATOM 1772 O SER A 112 -5.013 -12.766 -7.967 1.00 0.00 O ATOM 1773 CB SER A 112 -3.351 -15.638 -7.984 1.00 0.00 C ATOM 1774 OG SER A 112 -3.243 -15.159 -9.313 1.00 0.00 O ATOM 0 H SER A 112 -3.531 -16.000 -5.552 1.00 0.00 H new ATOM 0 HA SER A 112 -2.859 -13.749 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.424 -16.134 -7.697 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.143 -16.385 -7.927 1.00 0.00 H new ATOM 0 HG SER A 112 -3.052 -15.907 -9.916 1.00 0.00 H new ATOM 1780 N LYS A 113 -6.073 -14.495 -6.995 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.407 -13.977 -7.274 1.00 0.00 C ATOM 1782 C LYS A 113 -7.610 -12.614 -6.620 1.00 0.00 C ATOM 1783 O LYS A 113 -7.905 -11.629 -7.296 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.472 -14.957 -6.776 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.566 -16.226 -7.605 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.448 -16.030 -8.827 1.00 0.00 C ATOM 1787 CE LYS A 113 -10.918 -16.226 -8.491 1.00 0.00 C ATOM 1788 NZ LYS A 113 -11.323 -17.656 -8.585 1.00 0.00 N ATOM 0 H LYS A 113 -6.062 -15.386 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.505 -13.861 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.253 -15.224 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.442 -14.459 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.568 -16.530 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.966 -17.033 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.296 -15.029 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.155 -16.734 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.112 -15.859 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.528 -15.630 -9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.332 -17.747 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.162 -18.000 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.759 -18.221 -7.919 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.447 -12.566 -5.302 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.610 -11.323 -4.558 1.00 0.00 C ATOM 1804 C ILE A 114 -6.830 -10.186 -5.210 1.00 0.00 C ATOM 1805 O ILE A 114 -7.378 -9.118 -5.478 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.147 -11.477 -3.097 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.911 -12.613 -2.414 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.341 -10.171 -2.340 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.387 -12.333 -2.245 1.00 0.00 C ATOM 0 H ILE A 114 -7.202 -13.373 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.674 -11.084 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.085 -11.724 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.787 -13.525 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.470 -12.799 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.009 -10.295 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.757 -9.384 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.396 -9.897 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.864 -13.181 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.520 -11.439 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.842 -12.177 -3.223 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.547 -10.425 -5.463 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.693 -9.423 -6.088 1.00 0.00 C ATOM 1823 C ALA A 115 -5.255 -8.984 -7.435 1.00 0.00 C ATOM 1824 O ALA A 115 -5.479 -7.797 -7.668 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.280 -9.964 -6.254 1.00 0.00 C ATOM 0 H ALA A 115 -5.077 -11.303 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.662 -8.550 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.653 -9.205 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.871 -10.220 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.303 -10.854 -6.882 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.480 -9.950 -8.320 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.015 -9.662 -9.646 1.00 0.00 C ATOM 1833 C ASN A 116 -7.212 -8.720 -9.557 1.00 0.00 C ATOM 1834 O ASN A 116 -7.287 -7.727 -10.280 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.424 -10.960 -10.346 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.244 -11.674 -10.976 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.545 -11.115 -11.821 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -5.017 -12.917 -10.566 1.00 0.00 N ATOM 0 H ASN A 116 -5.300 -10.938 -8.143 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.233 -9.173 -10.228 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.904 -11.623 -9.625 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.163 -10.737 -11.115 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -4.237 -13.448 -10.954 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.623 -13.341 -9.863 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.144 -9.039 -8.664 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.337 -8.220 -8.481 1.00 0.00 C ATOM 1847 C GLU A 117 -8.964 -6.800 -8.067 1.00 0.00 C ATOM 1848 O GLU A 117 -9.564 -5.828 -8.529 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.255 -8.846 -7.429 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.762 -10.227 -7.807 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.156 -10.324 -9.269 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.313 -9.986 -9.595 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.306 -10.737 -10.085 1.00 0.00 O ATOM 0 H GLU A 117 -8.096 -9.857 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.865 -8.175 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.717 -8.912 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.108 -8.187 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.989 -10.965 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.622 -10.477 -7.185 1.00 0.00 H new ATOM 1860 N LEU A 118 -7.970 -6.687 -7.193 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.516 -5.385 -6.715 1.00 0.00 C ATOM 1862 C LEU A 118 -6.497 -4.778 -7.674 1.00 0.00 C ATOM 1863 O LEU A 118 -5.646 -3.985 -7.272 1.00 0.00 O ATOM 1864 CB LEU A 118 -6.904 -5.518 -5.319 1.00 0.00 C ATOM 1865 CG LEU A 118 -7.895 -5.612 -4.158 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.269 -6.342 -2.980 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.362 -4.225 -3.742 1.00 0.00 C ATOM 0 H LEU A 118 -7.463 -7.480 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.380 -4.722 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.272 -6.406 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.253 -4.661 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.763 -6.181 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.989 -6.399 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.985 -7.349 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.383 -5.801 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.067 -4.311 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.504 -3.631 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.851 -3.737 -4.586 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.590 -5.155 -8.944 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.679 -4.646 -9.963 1.00 0.00 C ATOM 1881 C LYS A 119 -4.284 -4.429 -9.386 1.00 0.00 C ATOM 1882 O LYS A 119 -3.598 -3.468 -9.736 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.212 -3.333 -10.543 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.180 -3.527 -11.697 1.00 0.00 C ATOM 1885 CD LYS A 119 -8.539 -4.003 -11.210 1.00 0.00 C ATOM 1886 CE LYS A 119 -9.423 -4.442 -12.368 1.00 0.00 C ATOM 1887 NZ LYS A 119 -8.989 -5.751 -12.931 1.00 0.00 N ATOM 0 H LYS A 119 -7.288 -5.812 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.613 -5.388 -10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.710 -2.772 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.371 -2.728 -10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.295 -2.588 -12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.770 -4.252 -12.400 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.408 -4.833 -10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.031 -3.201 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.456 -4.517 -12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.399 -3.684 -13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.707 -6.097 -13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.083 -5.632 -13.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.873 -6.439 -12.160 1.00 0.00 H new ATOM 1901 N LEU A 120 -3.869 -5.330 -8.501 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.553 -5.238 -7.877 1.00 0.00 C ATOM 1903 C LEU A 120 -1.463 -5.715 -8.831 1.00 0.00 C ATOM 1904 O LEU A 120 -1.744 -6.110 -9.962 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.519 -6.066 -6.591 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.278 -5.484 -5.398 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.255 -6.454 -4.226 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -2.687 -4.142 -4.993 1.00 0.00 C ATOM 0 H LEU A 120 -4.424 -6.131 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.365 -4.192 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.925 -7.054 -6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.478 -6.206 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.315 -5.327 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.800 -6.023 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.725 -7.392 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.223 -6.643 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.240 -3.743 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.641 -4.274 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.756 -3.447 -5.829 1.00 0.00 H new ATOM 1920 N SER A 121 -0.218 -5.676 -8.366 1.00 0.00 N ATOM 1921 CA SER A 121 0.915 -6.103 -9.178 1.00 0.00 C ATOM 1922 C SER A 121 0.710 -7.525 -9.692 1.00 0.00 C ATOM 1923 O SER A 121 0.652 -7.759 -10.898 1.00 0.00 O ATOM 1924 CB SER A 121 2.210 -6.022 -8.368 1.00 0.00 C ATOM 1925 OG SER A 121 3.344 -6.198 -9.199 1.00 0.00 O ATOM 0 H SER A 121 0.031 -5.353 -7.431 1.00 0.00 H new ATOM 0 HA SER A 121 0.989 -5.433 -10.035 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.269 -5.056 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.204 -6.785 -7.590 1.00 0.00 H new ATOM 0 HG SER A 121 4.159 -6.140 -8.657 1.00 0.00 H new ATOM 1931 N GLY A 122 0.602 -8.472 -8.765 1.00 0.00 N ATOM 1932 CA GLY A 122 0.406 -9.860 -9.143 1.00 0.00 C ATOM 1933 C GLY A 122 1.714 -10.610 -9.294 1.00 0.00 C ATOM 1934 O GLY A 122 2.116 -10.984 -10.396 1.00 0.00 O ATOM 0 H GLY A 122 0.647 -8.303 -7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.208 -10.355 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.145 -9.903 -10.083 1.00 0.00 H new ATOM 1938 N PRO A 123 2.403 -10.840 -8.166 1.00 0.00 N ATOM 1939 CA PRO A 123 3.684 -11.552 -8.152 1.00 0.00 C ATOM 1940 C PRO A 123 3.528 -13.034 -8.475 1.00 0.00 C ATOM 1941 O PRO A 123 4.512 -13.736 -8.706 1.00 0.00 O ATOM 1942 CB PRO A 123 4.178 -11.367 -6.715 1.00 0.00 C ATOM 1943 CG PRO A 123 2.940 -11.153 -5.915 1.00 0.00 C ATOM 1944 CD PRO A 123 1.983 -10.424 -6.818 1.00 0.00 C ATOM 0 HA PRO A 123 4.371 -11.168 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.727 -12.243 -6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.854 -10.515 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.519 -12.103 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.151 -10.570 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.949 -10.702 -6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.054 -9.344 -6.690 1.00 0.00 H new