USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot -170:sc= 1.03 USER MOD Set 1.2: A 109 SER OG : rot 90:sc= 1.2 USER MOD Set 2.1: A 54 SER OG : rot -89:sc= 0.694 USER MOD Set 2.2: A 67 ASN : amide:sc= 3.01 K(o=5.5,f=-3) USER MOD Set 2.3: A 77 CYS SG : rot -57:sc= 1.77 USER MOD Set 3.1: A 74 ASN : amide:sc= 0.265 K(o=1.7,f=0.27) USER MOD Set 3.2: A 76 TYR OH : rot -155:sc= 1.43 USER MOD Single : A 33 MET CE :methyl 168:sc= -0.255 (180deg=-0.706) USER MOD Single : A 42 ASN : amide:sc= -0.0917 X(o=-0.092,f=-0.092) USER MOD Single : A 49 ASN : amide:sc= 1.01 K(o=1,f=-0.95) USER MOD Single : A 50 ASN : amide:sc=-0.00834 K(o=-0.0083,f=-1.9) USER MOD Single : A 51 MET CE :methyl 138:sc= -0.128 (180deg=-0.947) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc=-0.000336 (180deg=-0.0941) USER MOD Single : A 56 SER OG : rot 56:sc= 0.398 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.101 USER MOD Single : A 65 TYR OH : rot -140:sc= 1.98 USER MOD Single : A 70 THR OG1 : rot -179:sc= 1.2 USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= -1.29 (180deg=-1.63) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 1.18 (180deg=1.01) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.658 K(o=0.66,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 100 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.17) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0295 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 108 TYR OH : rot 49:sc= 1.24 USER MOD Single : A 113 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 115 SER OG : rot 45:sc= 0.0624 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.929 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 11.625 4.734 -4.034 1.00 0.00 N ATOM 439 CA ASP A 32 10.958 4.815 -2.746 1.00 0.00 C ATOM 440 C ASP A 32 9.495 4.446 -2.928 1.00 0.00 C ATOM 441 O ASP A 32 8.768 5.111 -3.662 1.00 0.00 O ATOM 442 CB ASP A 32 11.087 6.225 -2.159 1.00 0.00 C ATOM 443 CG ASP A 32 10.387 6.376 -0.819 1.00 0.00 C ATOM 444 OD1 ASP A 32 10.051 5.354 -0.195 1.00 0.00 O ATOM 445 OD2 ASP A 32 10.170 7.530 -0.386 1.00 0.00 O ATOM 0 HA ASP A 32 11.427 4.120 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.143 6.468 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.671 6.945 -2.863 1.00 0.00 H new ATOM 450 N MET A 33 9.068 3.376 -2.280 1.00 0.00 N ATOM 451 CA MET A 33 7.699 2.905 -2.430 1.00 0.00 C ATOM 452 C MET A 33 6.731 3.879 -1.773 1.00 0.00 C ATOM 453 O MET A 33 5.556 3.950 -2.127 1.00 0.00 O ATOM 454 CB MET A 33 7.550 1.509 -1.836 1.00 0.00 C ATOM 455 CG MET A 33 6.354 0.753 -2.379 1.00 0.00 C ATOM 456 SD MET A 33 6.393 0.612 -4.177 1.00 0.00 S ATOM 457 CE MET A 33 7.974 -0.194 -4.427 1.00 0.00 C ATOM 0 H MET A 33 9.644 2.819 -1.649 1.00 0.00 H new ATOM 0 HA MET A 33 7.461 2.850 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.455 0.937 -2.038 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.459 1.590 -0.753 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.327 -0.244 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.438 1.260 -2.076 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.047 -0.539 -5.458 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.779 0.512 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.059 -1.046 -3.752 1.00 0.00 H new ATOM 467 N ARG A 34 7.249 4.642 -0.824 1.00 0.00 N ATOM 468 CA ARG A 34 6.488 5.703 -0.176 1.00 0.00 C ATOM 469 C ARG A 34 6.251 6.847 -1.160 1.00 0.00 C ATOM 470 O ARG A 34 5.224 7.528 -1.115 1.00 0.00 O ATOM 471 CB ARG A 34 7.252 6.166 1.066 1.00 0.00 C ATOM 472 CG ARG A 34 7.016 7.609 1.478 1.00 0.00 C ATOM 473 CD ARG A 34 7.992 8.002 2.572 1.00 0.00 C ATOM 474 NE ARG A 34 9.340 7.517 2.266 1.00 0.00 N ATOM 475 CZ ARG A 34 10.216 7.116 3.182 1.00 0.00 C ATOM 476 NH1 ARG A 34 9.966 7.275 4.474 1.00 0.00 N ATOM 477 NH2 ARG A 34 11.364 6.572 2.799 1.00 0.00 N ATOM 0 H ARG A 34 8.205 4.546 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 34 5.510 5.338 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.981 5.519 1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.318 6.027 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.138 8.266 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.992 7.732 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.007 9.087 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.661 7.591 3.526 1.00 0.00 H new ATOM 0 HE ARG A 34 9.625 7.485 1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.093 7.709 4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.646 6.963 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.571 6.463 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.040 6.263 3.497 1.00 0.00 H new ATOM 491 N LEU A 35 7.199 7.023 -2.069 1.00 0.00 N ATOM 492 CA LEU A 35 7.081 7.999 -3.143 1.00 0.00 C ATOM 493 C LEU A 35 5.964 7.593 -4.105 1.00 0.00 C ATOM 494 O LEU A 35 5.045 8.369 -4.392 1.00 0.00 O ATOM 495 CB LEU A 35 8.405 8.087 -3.900 1.00 0.00 C ATOM 496 CG LEU A 35 8.398 9.003 -5.115 1.00 0.00 C ATOM 497 CD1 LEU A 35 8.491 10.454 -4.682 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.538 8.650 -6.056 1.00 0.00 C ATOM 0 H LEU A 35 8.071 6.494 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 35 6.840 8.972 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.177 8.430 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.688 7.085 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 35 7.459 8.862 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.485 11.097 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.640 10.700 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.415 10.609 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.517 9.316 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.488 8.762 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.427 7.619 -6.391 1.00 0.00 H new ATOM 510 N GLU A 36 6.059 6.356 -4.590 1.00 0.00 N ATOM 511 CA GLU A 36 5.051 5.785 -5.478 1.00 0.00 C ATOM 512 C GLU A 36 3.686 5.790 -4.803 1.00 0.00 C ATOM 513 O GLU A 36 2.651 5.901 -5.461 1.00 0.00 O ATOM 514 CB GLU A 36 5.444 4.357 -5.870 1.00 0.00 C ATOM 515 CG GLU A 36 6.732 4.274 -6.678 1.00 0.00 C ATOM 516 CD GLU A 36 6.577 4.832 -8.080 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.331 6.045 -8.223 1.00 0.00 O ATOM 518 OE2 GLU A 36 6.682 4.052 -9.050 1.00 0.00 O ATOM 0 H GLU A 36 6.833 5.726 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 36 4.994 6.394 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.554 3.759 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.634 3.913 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.519 4.821 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.053 3.234 -6.738 1.00 0.00 H new ATOM 525 N ALA A 37 3.701 5.702 -3.479 1.00 0.00 N ATOM 526 CA ALA A 37 2.475 5.712 -2.696 1.00 0.00 C ATOM 527 C ALA A 37 1.779 7.059 -2.820 1.00 0.00 C ATOM 528 O ALA A 37 0.578 7.122 -3.081 1.00 0.00 O ATOM 529 CB ALA A 37 2.770 5.398 -1.238 1.00 0.00 C ATOM 0 H ALA A 37 4.553 5.623 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 37 1.810 4.941 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.841 5.410 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.229 4.412 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.452 6.147 -0.835 1.00 0.00 H new ATOM 535 N GLU A 38 2.549 8.134 -2.651 1.00 0.00 N ATOM 536 CA GLU A 38 2.030 9.492 -2.798 1.00 0.00 C ATOM 537 C GLU A 38 1.374 9.681 -4.162 1.00 0.00 C ATOM 538 O GLU A 38 0.368 10.382 -4.287 1.00 0.00 O ATOM 539 CB GLU A 38 3.152 10.520 -2.616 1.00 0.00 C ATOM 540 CG GLU A 38 3.479 10.830 -1.164 1.00 0.00 C ATOM 541 CD GLU A 38 2.339 11.529 -0.446 1.00 0.00 C ATOM 542 OE1 GLU A 38 1.795 12.509 -0.998 1.00 0.00 O ATOM 543 OE2 GLU A 38 1.994 11.111 0.679 1.00 0.00 O ATOM 0 H GLU A 38 3.539 8.089 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 38 1.277 9.646 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.051 10.152 -3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.868 11.445 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.717 9.903 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.369 11.457 -1.122 1.00 0.00 H new ATOM 550 N ALA A 39 1.948 9.061 -5.183 1.00 0.00 N ATOM 551 CA ALA A 39 1.385 9.141 -6.524 1.00 0.00 C ATOM 552 C ALA A 39 0.064 8.378 -6.622 1.00 0.00 C ATOM 553 O ALA A 39 -0.954 8.936 -7.034 1.00 0.00 O ATOM 554 CB ALA A 39 2.383 8.620 -7.547 1.00 0.00 C ATOM 0 H ALA A 39 2.797 8.501 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 39 1.176 10.189 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.949 8.686 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.292 9.220 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.624 7.581 -7.324 1.00 0.00 H new ATOM 560 N VAL A 40 0.082 7.112 -6.220 1.00 0.00 N ATOM 561 CA VAL A 40 -1.089 6.243 -6.331 1.00 0.00 C ATOM 562 C VAL A 40 -2.277 6.777 -5.531 1.00 0.00 C ATOM 563 O VAL A 40 -3.410 6.782 -6.021 1.00 0.00 O ATOM 564 CB VAL A 40 -0.762 4.805 -5.866 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.011 3.931 -5.866 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.315 4.189 -6.748 1.00 0.00 C ATOM 0 H VAL A 40 0.900 6.660 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.364 6.227 -7.386 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.387 4.861 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.751 2.925 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.752 4.356 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.423 3.886 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.531 3.177 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.035 4.155 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.221 4.793 -6.692 1.00 0.00 H new ATOM 576 N VAL A 41 -2.010 7.241 -4.312 1.00 0.00 N ATOM 577 CA VAL A 41 -3.062 7.726 -3.418 1.00 0.00 C ATOM 578 C VAL A 41 -3.932 8.792 -4.085 1.00 0.00 C ATOM 579 O VAL A 41 -5.155 8.721 -4.031 1.00 0.00 O ATOM 580 CB VAL A 41 -2.470 8.294 -2.104 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.519 9.058 -1.307 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.887 7.175 -1.254 1.00 0.00 C ATOM 0 H VAL A 41 -1.070 7.292 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.688 6.865 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.675 8.989 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.071 9.443 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.896 9.889 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.342 8.390 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.476 7.593 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.671 6.459 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.096 6.671 -1.809 1.00 0.00 H new ATOM 592 N ASN A 42 -3.308 9.761 -4.742 1.00 0.00 N ATOM 593 CA ASN A 42 -4.057 10.880 -5.302 1.00 0.00 C ATOM 594 C ASN A 42 -4.471 10.599 -6.751 1.00 0.00 C ATOM 595 O ASN A 42 -5.164 11.396 -7.381 1.00 0.00 O ATOM 596 CB ASN A 42 -3.227 12.167 -5.196 1.00 0.00 C ATOM 597 CG ASN A 42 -4.022 13.418 -5.530 1.00 0.00 C ATOM 598 OD1 ASN A 42 -4.774 13.932 -4.697 1.00 0.00 O ATOM 599 ND2 ASN A 42 -3.834 13.942 -6.730 1.00 0.00 N ATOM 0 H ASN A 42 -2.301 9.797 -4.899 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.974 11.011 -4.727 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.831 12.255 -4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.372 12.097 -5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.319 14.800 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.204 13.488 -7.392 1.00 0.00 H new ATOM 606 N ASP A 43 -4.072 9.444 -7.267 1.00 0.00 N ATOM 607 CA ASP A 43 -4.375 9.091 -8.651 1.00 0.00 C ATOM 608 C ASP A 43 -5.724 8.385 -8.758 1.00 0.00 C ATOM 609 O ASP A 43 -6.508 8.664 -9.667 1.00 0.00 O ATOM 610 CB ASP A 43 -3.274 8.203 -9.239 1.00 0.00 C ATOM 611 CG ASP A 43 -3.487 7.903 -10.714 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.185 8.778 -11.557 1.00 0.00 O ATOM 613 OD2 ASP A 43 -3.950 6.794 -11.043 1.00 0.00 O ATOM 0 H ASP A 43 -3.542 8.739 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.424 10.018 -9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.309 8.693 -9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.234 7.266 -8.684 1.00 0.00 H new ATOM 618 N VAL A 44 -6.003 7.482 -7.824 1.00 0.00 N ATOM 619 CA VAL A 44 -7.235 6.693 -7.873 1.00 0.00 C ATOM 620 C VAL A 44 -8.153 6.997 -6.689 1.00 0.00 C ATOM 621 O VAL A 44 -9.119 6.275 -6.447 1.00 0.00 O ATOM 622 CB VAL A 44 -6.935 5.176 -7.902 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.191 4.793 -9.172 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.146 4.755 -6.669 1.00 0.00 C ATOM 0 H VAL A 44 -5.399 7.277 -7.028 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.743 6.977 -8.795 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.887 4.646 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.992 3.721 -9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.799 5.046 -10.040 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.248 5.337 -9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.947 3.684 -6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.202 5.298 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.724 4.981 -5.773 1.00 0.00 H new ATOM 634 N LEU A 45 -7.869 8.088 -5.981 1.00 0.00 N ATOM 635 CA LEU A 45 -8.600 8.437 -4.760 1.00 0.00 C ATOM 636 C LEU A 45 -10.102 8.582 -5.021 1.00 0.00 C ATOM 637 O LEU A 45 -10.920 8.160 -4.208 1.00 0.00 O ATOM 638 CB LEU A 45 -8.027 9.737 -4.165 1.00 0.00 C ATOM 639 CG LEU A 45 -8.399 10.035 -2.705 1.00 0.00 C ATOM 640 CD1 LEU A 45 -7.368 10.960 -2.078 1.00 0.00 C ATOM 641 CD2 LEU A 45 -9.780 10.670 -2.608 1.00 0.00 C ATOM 0 H LEU A 45 -7.135 8.750 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.473 7.625 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.940 9.699 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.360 10.572 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.414 9.088 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.643 11.163 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.388 10.484 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.333 11.896 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.016 10.870 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.790 11.605 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.523 9.990 -3.024 1.00 0.00 H new ATOM 653 N PHE A 46 -10.461 9.139 -6.173 1.00 0.00 N ATOM 654 CA PHE A 46 -11.859 9.458 -6.468 1.00 0.00 C ATOM 655 C PHE A 46 -12.696 8.212 -6.775 1.00 0.00 C ATOM 656 O PHE A 46 -13.892 8.311 -7.040 1.00 0.00 O ATOM 657 CB PHE A 46 -11.943 10.454 -7.630 1.00 0.00 C ATOM 658 CG PHE A 46 -11.211 10.021 -8.874 1.00 0.00 C ATOM 659 CD1 PHE A 46 -11.819 9.192 -9.805 1.00 0.00 C ATOM 660 CD2 PHE A 46 -9.916 10.454 -9.116 1.00 0.00 C ATOM 661 CE1 PHE A 46 -11.151 8.805 -10.951 1.00 0.00 C ATOM 662 CE2 PHE A 46 -9.243 10.068 -10.260 1.00 0.00 C ATOM 663 CZ PHE A 46 -9.862 9.243 -11.179 1.00 0.00 C ATOM 0 H PHE A 46 -9.807 9.380 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.279 9.911 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.992 10.617 -7.878 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.541 11.412 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.827 8.845 -9.632 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.427 11.101 -8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.637 8.160 -11.668 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.234 10.411 -10.435 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.338 8.941 -12.074 1.00 0.00 H new ATOM 673 N ALA A 47 -12.075 7.042 -6.743 1.00 0.00 N ATOM 674 CA ALA A 47 -12.805 5.800 -6.947 1.00 0.00 C ATOM 675 C ALA A 47 -13.293 5.250 -5.613 1.00 0.00 C ATOM 676 O ALA A 47 -14.218 4.437 -5.560 1.00 0.00 O ATOM 677 CB ALA A 47 -11.940 4.783 -7.668 1.00 0.00 C ATOM 0 H ALA A 47 -11.075 6.927 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.674 6.005 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.504 3.861 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.643 5.181 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.050 4.575 -7.073 1.00 0.00 H new ATOM 683 N VAL A 48 -12.672 5.719 -4.542 1.00 0.00 N ATOM 684 CA VAL A 48 -13.027 5.311 -3.193 1.00 0.00 C ATOM 685 C VAL A 48 -13.345 6.539 -2.355 1.00 0.00 C ATOM 686 O VAL A 48 -13.514 7.632 -2.894 1.00 0.00 O ATOM 687 CB VAL A 48 -11.896 4.504 -2.519 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.682 3.178 -3.233 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.601 5.303 -2.479 1.00 0.00 C ATOM 0 H VAL A 48 -11.908 6.393 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.903 4.665 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.198 4.299 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.881 2.625 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.601 2.593 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.410 3.364 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.822 4.710 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.294 5.550 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.758 6.222 -1.914 1.00 0.00 H new ATOM 699 N ASN A 49 -13.447 6.365 -1.048 1.00 0.00 N ATOM 700 CA ASN A 49 -13.698 7.495 -0.166 1.00 0.00 C ATOM 701 C ASN A 49 -12.401 8.254 0.115 1.00 0.00 C ATOM 702 O ASN A 49 -12.316 9.459 -0.123 1.00 0.00 O ATOM 703 CB ASN A 49 -14.331 7.040 1.151 1.00 0.00 C ATOM 704 CG ASN A 49 -14.620 8.210 2.077 1.00 0.00 C ATOM 705 OD1 ASN A 49 -14.890 9.324 1.626 1.00 0.00 O ATOM 706 ND2 ASN A 49 -14.577 7.973 3.376 1.00 0.00 N ATOM 0 H ASN A 49 -13.361 5.464 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.398 8.160 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.258 6.505 0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.663 6.338 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.771 8.724 4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.350 7.039 3.717 1.00 0.00 H new ATOM 713 N ASN A 50 -11.388 7.544 0.610 1.00 0.00 N ATOM 714 CA ASN A 50 -10.126 8.185 0.981 1.00 0.00 C ATOM 715 C ASN A 50 -9.005 7.156 1.124 1.00 0.00 C ATOM 716 O ASN A 50 -9.258 5.983 1.393 1.00 0.00 O ATOM 717 CB ASN A 50 -10.297 8.960 2.292 1.00 0.00 C ATOM 718 CG ASN A 50 -9.099 9.838 2.621 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.417 10.337 1.728 1.00 0.00 O ATOM 720 ND2 ASN A 50 -8.841 10.039 3.904 1.00 0.00 N ATOM 0 H ASN A 50 -11.414 6.536 0.762 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.851 8.878 0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.190 9.582 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.459 8.254 3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.053 10.625 4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.430 9.608 4.616 1.00 0.00 H new ATOM 727 N MET A 51 -7.769 7.607 0.940 1.00 0.00 N ATOM 728 CA MET A 51 -6.596 6.752 1.062 1.00 0.00 C ATOM 729 C MET A 51 -5.524 7.474 1.873 1.00 0.00 C ATOM 730 O MET A 51 -5.357 8.685 1.740 1.00 0.00 O ATOM 731 CB MET A 51 -6.043 6.385 -0.321 1.00 0.00 C ATOM 732 CG MET A 51 -7.029 5.630 -1.197 1.00 0.00 C ATOM 733 SD MET A 51 -6.359 5.228 -2.824 1.00 0.00 S ATOM 734 CE MET A 51 -5.010 4.141 -2.375 1.00 0.00 C ATOM 0 H MET A 51 -7.553 8.575 0.702 1.00 0.00 H new ATOM 0 HA MET A 51 -6.885 5.832 1.570 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.740 7.298 -0.835 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.146 5.778 -0.194 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.323 4.709 -0.693 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.931 6.229 -1.319 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.980 3.295 -3.062 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.068 4.687 -2.431 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.159 3.778 -1.358 1.00 0.00 H new ATOM 744 N PHE A 52 -4.809 6.738 2.711 1.00 0.00 N ATOM 745 CA PHE A 52 -3.778 7.328 3.564 1.00 0.00 C ATOM 746 C PHE A 52 -2.730 6.281 3.925 1.00 0.00 C ATOM 747 O PHE A 52 -3.073 5.145 4.216 1.00 0.00 O ATOM 748 CB PHE A 52 -4.415 7.902 4.840 1.00 0.00 C ATOM 749 CG PHE A 52 -3.441 8.604 5.748 1.00 0.00 C ATOM 750 CD1 PHE A 52 -2.814 9.773 5.344 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.152 8.095 7.005 1.00 0.00 C ATOM 752 CE1 PHE A 52 -1.918 10.420 6.176 1.00 0.00 C ATOM 753 CE2 PHE A 52 -2.256 8.737 7.842 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.639 9.901 7.426 1.00 0.00 C ATOM 0 H PHE A 52 -4.921 5.730 2.821 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.291 8.136 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.202 8.601 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.891 7.092 5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.028 10.183 4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.632 7.186 7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.437 11.330 5.849 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.040 8.329 8.818 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.940 10.405 8.077 1.00 0.00 H new ATOM 764 N VAL A 53 -1.460 6.664 3.901 1.00 0.00 N ATOM 765 CA VAL A 53 -0.370 5.737 4.200 1.00 0.00 C ATOM 766 C VAL A 53 -0.430 5.266 5.659 1.00 0.00 C ATOM 767 O VAL A 53 -0.718 6.051 6.565 1.00 0.00 O ATOM 768 CB VAL A 53 1.010 6.378 3.899 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.221 7.645 4.721 1.00 0.00 C ATOM 770 CG2 VAL A 53 2.140 5.385 4.139 1.00 0.00 C ATOM 0 H VAL A 53 -1.156 7.612 3.677 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.493 4.869 3.552 1.00 0.00 H new ATOM 0 HB VAL A 53 1.021 6.655 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.197 8.071 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.442 8.369 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.175 7.402 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.096 5.861 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.126 5.062 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.008 4.520 3.489 1.00 0.00 H new ATOM 780 N SER A 54 -0.187 3.978 5.871 1.00 0.00 N ATOM 781 CA SER A 54 -0.226 3.396 7.203 1.00 0.00 C ATOM 782 C SER A 54 0.992 3.842 8.013 1.00 0.00 C ATOM 783 O SER A 54 2.127 3.459 7.718 1.00 0.00 O ATOM 784 CB SER A 54 -0.267 1.871 7.101 1.00 0.00 C ATOM 785 OG SER A 54 -1.181 1.453 6.102 1.00 0.00 O ATOM 0 H SER A 54 0.040 3.314 5.130 1.00 0.00 H new ATOM 0 HA SER A 54 -1.125 3.741 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.728 1.492 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.555 1.446 8.063 1.00 0.00 H new ATOM 0 HG SER A 54 -2.071 1.347 6.497 1.00 0.00 H new ATOM 791 N LYS A 55 0.749 4.643 9.039 1.00 0.00 N ATOM 792 CA LYS A 55 1.824 5.233 9.825 1.00 0.00 C ATOM 793 C LYS A 55 2.258 4.282 10.942 1.00 0.00 C ATOM 794 O LYS A 55 3.331 4.440 11.527 1.00 0.00 O ATOM 795 CB LYS A 55 1.351 6.588 10.394 1.00 0.00 C ATOM 796 CG LYS A 55 2.444 7.456 11.016 1.00 0.00 C ATOM 797 CD LYS A 55 2.655 7.141 12.490 1.00 0.00 C ATOM 798 CE LYS A 55 3.735 8.015 13.113 1.00 0.00 C ATOM 799 NZ LYS A 55 3.353 9.453 13.132 1.00 0.00 N ATOM 0 H LYS A 55 -0.188 4.901 9.349 1.00 0.00 H new ATOM 0 HA LYS A 55 2.692 5.403 9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.874 7.153 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.587 6.399 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.378 7.304 10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.179 8.507 10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.718 7.284 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.930 6.092 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.929 7.679 14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.664 7.895 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.033 9.985 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.358 9.826 12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.400 9.554 13.537 1.00 0.00 H new ATOM 813 N SER A 56 1.460 3.249 11.194 1.00 0.00 N ATOM 814 CA SER A 56 1.666 2.413 12.370 1.00 0.00 C ATOM 815 C SER A 56 2.601 1.257 12.054 1.00 0.00 C ATOM 816 O SER A 56 2.863 0.401 12.901 1.00 0.00 O ATOM 817 CB SER A 56 0.326 1.880 12.872 1.00 0.00 C ATOM 818 OG SER A 56 -0.647 2.912 12.882 1.00 0.00 O ATOM 0 H SER A 56 0.673 2.973 10.606 1.00 0.00 H new ATOM 0 HA SER A 56 2.125 3.022 13.149 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.009 1.062 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.443 1.473 13.876 1.00 0.00 H new ATOM 0 HG SER A 56 -0.720 3.302 11.986 1.00 0.00 H new ATOM 824 N LEU A 57 3.111 1.238 10.835 1.00 0.00 N ATOM 825 CA LEU A 57 3.943 0.141 10.389 1.00 0.00 C ATOM 826 C LEU A 57 5.329 0.613 9.975 1.00 0.00 C ATOM 827 O LEU A 57 6.184 0.870 10.824 1.00 0.00 O ATOM 828 CB LEU A 57 3.290 -0.602 9.226 1.00 0.00 C ATOM 829 CG LEU A 57 1.980 -1.324 9.542 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.808 -0.363 9.590 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.722 -2.383 8.508 1.00 0.00 C ATOM 0 H LEU A 57 2.962 1.969 10.140 1.00 0.00 H new ATOM 0 HA LEU A 57 4.050 -0.537 11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.104 0.112 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.002 -1.333 8.843 1.00 0.00 H new ATOM 0 HG LEU A 57 2.080 -1.781 10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.105 -0.914 9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.982 0.385 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.703 0.131 8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.787 -2.895 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.651 -1.921 7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.541 -3.103 8.512 1.00 0.00 H new ATOM 843 N ARG A 58 5.540 0.751 8.672 1.00 0.00 N ATOM 844 CA ARG A 58 6.863 1.026 8.142 1.00 0.00 C ATOM 845 C ARG A 58 6.787 1.459 6.686 1.00 0.00 C ATOM 846 O ARG A 58 5.808 1.178 5.991 1.00 0.00 O ATOM 847 CB ARG A 58 7.741 -0.226 8.256 1.00 0.00 C ATOM 848 CG ARG A 58 7.148 -1.444 7.566 1.00 0.00 C ATOM 849 CD ARG A 58 8.028 -2.669 7.728 1.00 0.00 C ATOM 850 NE ARG A 58 7.403 -3.861 7.160 1.00 0.00 N ATOM 851 CZ ARG A 58 7.909 -5.088 7.261 1.00 0.00 C ATOM 852 NH1 ARG A 58 9.047 -5.293 7.919 1.00 0.00 N ATOM 853 NH2 ARG A 58 7.265 -6.114 6.718 1.00 0.00 N ATOM 0 H ARG A 58 4.809 0.676 7.965 1.00 0.00 H new ATOM 0 HA ARG A 58 7.300 1.837 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.720 -0.015 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.899 -0.455 9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.160 -1.650 7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.013 -1.231 6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.988 -2.495 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.232 -2.834 8.786 1.00 0.00 H new ATOM 0 HE ARG A 58 6.524 -3.746 6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.536 -4.508 8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.430 -6.235 7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.385 -5.961 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.650 -7.056 6.794 1.00 0.00 H new ATOM 867 N CYS A 59 7.827 2.147 6.251 1.00 0.00 N ATOM 868 CA CYS A 59 8.008 2.515 4.857 1.00 0.00 C ATOM 869 C CYS A 59 9.481 2.817 4.622 1.00 0.00 C ATOM 870 O CYS A 59 9.894 3.970 4.513 1.00 0.00 O ATOM 871 CB CYS A 59 7.125 3.710 4.477 1.00 0.00 C ATOM 872 SG CYS A 59 7.235 5.117 5.613 1.00 0.00 S ATOM 0 H CYS A 59 8.578 2.470 6.861 1.00 0.00 H new ATOM 0 HA CYS A 59 7.702 1.686 4.219 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.399 4.045 3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.088 3.378 4.429 1.00 0.00 H new ATOM 0 HG CYS A 59 6.454 6.070 5.200 1.00 0.00 H new ATOM 878 N ALA A 60 10.276 1.759 4.589 1.00 0.00 N ATOM 879 CA ALA A 60 11.723 1.893 4.573 1.00 0.00 C ATOM 880 C ALA A 60 12.253 2.166 3.173 1.00 0.00 C ATOM 881 O ALA A 60 12.980 3.136 2.952 1.00 0.00 O ATOM 882 CB ALA A 60 12.365 0.640 5.148 1.00 0.00 C ATOM 0 H ALA A 60 9.942 0.795 4.573 1.00 0.00 H new ATOM 0 HA ALA A 60 11.985 2.751 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.450 0.747 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.029 0.497 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.078 -0.224 4.549 1.00 0.00 H new ATOM 888 N ASP A 61 11.894 1.305 2.234 1.00 0.00 N ATOM 889 CA ASP A 61 12.418 1.399 0.877 1.00 0.00 C ATOM 890 C ASP A 61 11.427 0.847 -0.145 1.00 0.00 C ATOM 891 O ASP A 61 10.749 1.605 -0.837 1.00 0.00 O ATOM 892 CB ASP A 61 13.781 0.681 0.765 1.00 0.00 C ATOM 893 CG ASP A 61 13.831 -0.658 1.492 1.00 0.00 C ATOM 894 OD1 ASP A 61 13.398 -1.678 0.913 1.00 0.00 O ATOM 895 OD2 ASP A 61 14.300 -0.693 2.651 1.00 0.00 O ATOM 0 H ASP A 61 11.243 0.534 2.384 1.00 0.00 H new ATOM 0 HA ASP A 61 12.568 2.455 0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.012 0.521 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.558 1.331 1.166 1.00 0.00 H new ATOM 900 N ASP A 62 11.335 -0.469 -0.225 1.00 0.00 N ATOM 901 CA ASP A 62 10.488 -1.123 -1.215 1.00 0.00 C ATOM 902 C ASP A 62 9.115 -1.453 -0.641 1.00 0.00 C ATOM 903 O ASP A 62 8.177 -1.739 -1.378 1.00 0.00 O ATOM 904 CB ASP A 62 11.169 -2.401 -1.704 1.00 0.00 C ATOM 905 CG ASP A 62 10.479 -3.027 -2.901 1.00 0.00 C ATOM 906 OD1 ASP A 62 10.742 -2.575 -4.033 1.00 0.00 O ATOM 907 OD2 ASP A 62 9.704 -3.998 -2.715 1.00 0.00 O ATOM 0 H ASP A 62 11.839 -1.112 0.386 1.00 0.00 H new ATOM 0 HA ASP A 62 10.345 -0.437 -2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.203 -2.176 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.196 -3.125 -0.889 1.00 0.00 H new ATOM 912 N VAL A 63 9.000 -1.416 0.677 1.00 0.00 N ATOM 913 CA VAL A 63 7.741 -1.725 1.329 1.00 0.00 C ATOM 914 C VAL A 63 7.059 -0.458 1.846 1.00 0.00 C ATOM 915 O VAL A 63 7.678 0.372 2.519 1.00 0.00 O ATOM 916 CB VAL A 63 7.931 -2.739 2.487 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.749 -2.144 3.626 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.584 -3.231 2.989 1.00 0.00 C ATOM 0 H VAL A 63 9.761 -1.176 1.313 1.00 0.00 H new ATOM 0 HA VAL A 63 7.098 -2.183 0.578 1.00 0.00 H new ATOM 0 HB VAL A 63 8.488 -3.590 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.861 -2.884 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.733 -1.857 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.239 -1.265 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.736 -3.942 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.000 -2.385 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.049 -3.720 2.175 1.00 0.00 H new ATOM 928 N ALA A 64 5.795 -0.298 1.493 1.00 0.00 N ATOM 929 CA ALA A 64 4.983 0.796 2.005 1.00 0.00 C ATOM 930 C ALA A 64 3.537 0.340 2.144 1.00 0.00 C ATOM 931 O ALA A 64 2.940 -0.145 1.186 1.00 0.00 O ATOM 932 CB ALA A 64 5.072 2.013 1.093 1.00 0.00 C ATOM 0 H ALA A 64 5.304 -0.917 0.848 1.00 0.00 H new ATOM 0 HA ALA A 64 5.363 1.084 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.457 2.817 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.108 2.346 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.715 1.749 0.098 1.00 0.00 H new ATOM 938 N TYR A 65 2.982 0.467 3.337 1.00 0.00 N ATOM 939 CA TYR A 65 1.615 0.040 3.573 1.00 0.00 C ATOM 940 C TYR A 65 0.656 1.203 3.379 1.00 0.00 C ATOM 941 O TYR A 65 0.870 2.294 3.909 1.00 0.00 O ATOM 942 CB TYR A 65 1.480 -0.549 4.975 1.00 0.00 C ATOM 943 CG TYR A 65 2.341 -1.774 5.183 1.00 0.00 C ATOM 944 CD1 TYR A 65 3.670 -1.655 5.569 1.00 0.00 C ATOM 945 CD2 TYR A 65 1.830 -3.049 4.978 1.00 0.00 C ATOM 946 CE1 TYR A 65 4.465 -2.770 5.744 1.00 0.00 C ATOM 947 CE2 TYR A 65 2.618 -4.170 5.155 1.00 0.00 C ATOM 948 CZ TYR A 65 3.934 -4.026 5.537 1.00 0.00 C ATOM 949 OH TYR A 65 4.729 -5.143 5.702 1.00 0.00 O ATOM 0 H TYR A 65 3.454 0.860 4.152 1.00 0.00 H new ATOM 0 HA TYR A 65 1.359 -0.735 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.751 0.209 5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.437 -0.809 5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.089 -0.673 5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.800 -3.166 4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.497 -2.659 6.041 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.204 -5.155 4.995 1.00 0.00 H new ATOM 0 HH TYR A 65 4.522 -5.798 5.003 1.00 0.00 H new ATOM 959 N ILE A 66 -0.379 0.974 2.594 1.00 0.00 N ATOM 960 CA ILE A 66 -1.349 2.009 2.292 1.00 0.00 C ATOM 961 C ILE A 66 -2.737 1.607 2.762 1.00 0.00 C ATOM 962 O ILE A 66 -3.211 0.510 2.468 1.00 0.00 O ATOM 963 CB ILE A 66 -1.405 2.304 0.777 1.00 0.00 C ATOM 964 CG1 ILE A 66 -0.021 2.693 0.257 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.419 3.406 0.479 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.005 2.983 -1.226 1.00 0.00 C ATOM 0 H ILE A 66 -0.570 0.075 2.152 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.029 2.907 2.821 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.725 1.398 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.328 3.573 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.680 1.887 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.443 3.598 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.408 3.091 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.132 4.317 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.018 3.252 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.313 2.097 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.671 3.809 -1.447 1.00 0.00 H new ATOM 978 N ASN A 67 -3.375 2.502 3.488 1.00 0.00 N ATOM 979 CA ASN A 67 -4.753 2.316 3.895 1.00 0.00 C ATOM 980 C ASN A 67 -5.667 2.870 2.821 1.00 0.00 C ATOM 981 O ASN A 67 -5.499 4.009 2.379 1.00 0.00 O ATOM 982 CB ASN A 67 -5.050 3.035 5.211 1.00 0.00 C ATOM 983 CG ASN A 67 -4.263 2.510 6.393 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.957 1.321 6.486 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.922 3.406 7.301 1.00 0.00 N ATOM 0 H ASN A 67 -2.956 3.374 3.811 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.923 1.249 4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.837 4.097 5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.114 2.947 5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.384 3.123 8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.197 4.381 7.184 1.00 0.00 H new ATOM 992 N VAL A 68 -6.624 2.072 2.400 1.00 0.00 N ATOM 993 CA VAL A 68 -7.578 2.496 1.397 1.00 0.00 C ATOM 994 C VAL A 68 -8.998 2.241 1.888 1.00 0.00 C ATOM 995 O VAL A 68 -9.369 1.114 2.212 1.00 0.00 O ATOM 996 CB VAL A 68 -7.336 1.788 0.039 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.306 0.276 0.199 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.390 2.200 -0.978 1.00 0.00 C ATOM 0 H VAL A 68 -6.763 1.120 2.739 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.442 3.565 1.235 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.359 2.102 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.135 -0.189 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.503 -0.002 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.259 -0.066 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.201 1.692 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.378 1.926 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.346 3.278 -1.131 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.774 3.301 1.987 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.151 3.188 2.420 1.00 0.00 C ATOM 1010 C GLU A 69 -12.072 3.294 1.218 1.00 0.00 C ATOM 1011 O GLU A 69 -12.177 4.354 0.596 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.486 4.276 3.440 1.00 0.00 C ATOM 1013 CG GLU A 69 -12.807 4.049 4.152 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.183 5.199 5.055 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -12.438 5.477 6.019 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -14.220 5.832 4.806 1.00 0.00 O ATOM 0 H GLU A 69 -9.474 4.252 1.773 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.292 2.218 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.687 4.328 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.516 5.241 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.594 3.900 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.746 3.134 4.741 1.00 0.00 H new ATOM 1023 N THR A 70 -12.721 2.193 0.885 1.00 0.00 N ATOM 1024 CA THR A 70 -13.619 2.153 -0.255 1.00 0.00 C ATOM 1025 C THR A 70 -14.881 2.955 0.030 1.00 0.00 C ATOM 1026 O THR A 70 -15.051 3.500 1.122 1.00 0.00 O ATOM 1027 CB THR A 70 -13.998 0.701 -0.607 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.510 0.033 0.552 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.797 -0.056 -1.143 1.00 0.00 C ATOM 0 H THR A 70 -12.642 1.311 1.391 1.00 0.00 H new ATOM 0 HA THR A 70 -13.098 2.595 -1.104 1.00 0.00 H new ATOM 0 HB THR A 70 -14.766 0.727 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.738 -0.892 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.089 -1.078 -1.384 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.427 0.438 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.011 -0.072 -0.388 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.774 3.016 -0.946 1.00 0.00 N ATOM 1038 CA LYS A 71 -17.054 3.686 -0.761 1.00 0.00 C ATOM 1039 C LYS A 71 -17.898 2.958 0.285 1.00 0.00 C ATOM 1040 O LYS A 71 -18.905 3.481 0.761 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.801 3.776 -2.092 1.00 0.00 C ATOM 1042 CG LYS A 71 -17.173 4.758 -3.068 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.897 4.768 -4.401 1.00 0.00 C ATOM 1044 CE LYS A 71 -17.485 5.962 -5.243 1.00 0.00 C ATOM 1045 NZ LYS A 71 -18.187 5.988 -6.551 1.00 0.00 N ATOM 0 H LYS A 71 -15.637 2.611 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.867 4.697 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.832 2.788 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.833 4.072 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.190 5.759 -2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.127 4.496 -3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.680 3.847 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.974 4.793 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.699 6.881 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.408 5.934 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.955 6.870 -7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.884 5.174 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.214 5.938 -6.395 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.452 1.760 0.652 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.097 0.966 1.689 1.00 0.00 C ATOM 1061 C GLU A 72 -17.805 1.553 3.067 1.00 0.00 C ATOM 1062 O GLU A 72 -18.466 1.206 4.048 1.00 0.00 O ATOM 1063 CB GLU A 72 -17.570 -0.468 1.654 1.00 0.00 C ATOM 1064 CG GLU A 72 -17.567 -1.103 0.276 1.00 0.00 C ATOM 1065 CD GLU A 72 -16.828 -2.426 0.261 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -15.600 -2.423 0.016 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -17.467 -3.470 0.513 1.00 0.00 O ATOM 0 H GLU A 72 -16.633 1.314 0.238 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.171 0.975 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.553 -0.478 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.176 -1.081 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.594 -1.258 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.103 -0.421 -0.436 1.00 0.00 H new ATOM 1074 N ARG A 73 -16.789 2.418 3.125 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.294 2.986 4.381 1.00 0.00 C ATOM 1076 C ARG A 73 -15.573 1.922 5.199 1.00 0.00 C ATOM 1077 O ARG A 73 -15.330 2.089 6.393 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.411 3.644 5.199 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.534 5.140 4.959 1.00 0.00 C ATOM 1080 CD ARG A 73 -17.825 5.458 3.504 1.00 0.00 C ATOM 1081 NE ARG A 73 -17.675 6.882 3.215 1.00 0.00 N ATOM 1082 CZ ARG A 73 -18.233 7.492 2.171 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -19.037 6.822 1.352 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -18.001 8.777 1.952 1.00 0.00 N ATOM 0 H ARG A 73 -16.286 2.745 2.300 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.584 3.772 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.360 3.165 4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.227 3.467 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.330 5.544 5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.610 5.633 5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.152 4.886 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -18.840 5.143 3.260 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.109 7.443 3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.230 5.835 1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.461 7.295 0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.394 9.301 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.429 9.243 1.152 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.225 0.834 4.533 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.407 -0.201 5.132 1.00 0.00 C ATOM 1100 C ASN A 74 -12.972 0.016 4.685 1.00 0.00 C ATOM 1101 O ASN A 74 -12.721 0.291 3.510 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.898 -1.592 4.710 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.201 -2.714 5.460 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -13.796 -2.553 6.611 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -14.050 -3.858 4.810 1.00 0.00 N ATOM 0 H ASN A 74 -15.500 0.646 3.569 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.474 -0.146 6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.973 -1.660 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.736 -1.721 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.584 -4.644 5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.399 -3.953 3.856 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.035 -0.080 5.610 1.00 0.00 N ATOM 1113 CA ARG A 75 -10.651 0.237 5.308 1.00 0.00 C ATOM 1114 C ARG A 75 -9.884 -1.034 5.003 1.00 0.00 C ATOM 1115 O ARG A 75 -10.130 -2.072 5.607 1.00 0.00 O ATOM 1116 CB ARG A 75 -9.982 0.995 6.465 1.00 0.00 C ATOM 1117 CG ARG A 75 -10.602 2.353 6.766 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.868 2.227 7.598 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.566 3.502 7.732 1.00 0.00 N ATOM 1120 CZ ARG A 75 -13.456 3.774 8.681 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -13.707 2.886 9.633 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -14.079 4.946 8.685 1.00 0.00 N ATOM 0 H ARG A 75 -12.205 -0.373 6.572 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.637 0.886 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.030 0.379 7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.927 1.134 6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.879 2.972 7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.832 2.862 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.533 1.497 7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.615 1.847 8.588 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.357 4.233 7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.217 1.992 9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.390 3.097 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.874 5.635 7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.763 5.158 9.412 1.00 0.00 H new ATOM 1136 N TYR A 76 -8.985 -0.958 4.040 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.152 -2.092 3.678 1.00 0.00 C ATOM 1138 C TYR A 76 -6.688 -1.675 3.698 1.00 0.00 C ATOM 1139 O TYR A 76 -6.354 -0.551 3.322 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.536 -2.617 2.288 1.00 0.00 C ATOM 1141 CG TYR A 76 -10.006 -2.955 2.151 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.487 -4.215 2.491 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.915 -2.009 1.688 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.830 -4.519 2.374 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -12.256 -2.309 1.567 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.709 -3.563 1.911 1.00 0.00 C ATOM 1147 OH TYR A 76 -14.050 -3.858 1.806 1.00 0.00 O ATOM 0 H TYR A 76 -8.811 -0.117 3.490 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.307 -2.893 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.273 -1.868 1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.946 -3.507 2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.801 -4.967 2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.565 -1.023 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.189 -5.501 2.644 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.948 -1.563 1.204 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.459 -3.282 1.127 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.826 -2.566 4.154 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.398 -2.293 4.191 1.00 0.00 C ATOM 1159 C CYS A 77 -3.682 -3.025 3.063 1.00 0.00 C ATOM 1160 O CYS A 77 -3.730 -4.256 2.969 1.00 0.00 O ATOM 1161 CB CYS A 77 -3.800 -2.691 5.542 1.00 0.00 C ATOM 1162 SG CYS A 77 -4.312 -1.630 6.912 1.00 0.00 S ATOM 0 H CYS A 77 -6.089 -3.487 4.505 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.258 -1.221 4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.085 -3.719 5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -2.713 -2.671 5.467 1.00 0.00 H new ATOM 0 HG CYS A 77 -4.007 -0.395 6.642 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.032 -2.258 2.204 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.310 -2.811 1.078 1.00 0.00 C ATOM 1170 C LEU A 78 -0.811 -2.701 1.298 1.00 0.00 C ATOM 1171 O LEU A 78 -0.299 -1.646 1.667 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.703 -2.077 -0.206 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.198 -2.104 -0.543 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.479 -1.286 -1.794 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.682 -3.535 -0.720 1.00 0.00 C ATOM 0 H LEU A 78 -2.992 -1.241 2.269 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.571 -3.865 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.385 -1.038 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.152 -2.514 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.744 -1.658 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.545 -1.317 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.173 -0.253 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.920 -1.701 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.746 -3.532 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.129 -4.008 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.519 -4.091 0.203 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.119 -3.799 1.072 1.00 0.00 N ATOM 1188 CA GLU A 79 1.324 -3.836 1.162 1.00 0.00 C ATOM 1189 C GLU A 79 1.905 -3.594 -0.221 1.00 0.00 C ATOM 1190 O GLU A 79 1.949 -4.499 -1.057 1.00 0.00 O ATOM 1191 CB GLU A 79 1.785 -5.187 1.718 1.00 0.00 C ATOM 1192 CG GLU A 79 3.294 -5.324 1.874 1.00 0.00 C ATOM 1193 CD GLU A 79 3.694 -6.656 2.480 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.742 -7.661 1.741 1.00 0.00 O ATOM 1195 OE2 GLU A 79 3.957 -6.709 3.702 1.00 0.00 O ATOM 0 H GLU A 79 -0.543 -4.692 0.820 1.00 0.00 H new ATOM 0 HA GLU A 79 1.675 -3.059 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.316 -5.345 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.427 -5.978 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.769 -5.214 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.666 -4.515 2.503 1.00 0.00 H new ATOM 1202 N LEU A 80 2.291 -2.356 -0.474 1.00 0.00 N ATOM 1203 CA LEU A 80 2.840 -1.977 -1.762 1.00 0.00 C ATOM 1204 C LEU A 80 4.328 -2.290 -1.804 1.00 0.00 C ATOM 1205 O LEU A 80 5.096 -1.811 -0.968 1.00 0.00 O ATOM 1206 CB LEU A 80 2.587 -0.486 -2.026 1.00 0.00 C ATOM 1207 CG LEU A 80 3.105 0.045 -3.364 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.475 -0.703 -4.525 1.00 0.00 C ATOM 1209 CD2 LEU A 80 2.836 1.540 -3.483 1.00 0.00 C ATOM 0 H LEU A 80 2.233 -1.593 0.200 1.00 0.00 H new ATOM 0 HA LEU A 80 2.345 -2.551 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.514 -0.303 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.048 0.090 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 80 4.182 -0.119 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.860 -0.307 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.720 -1.763 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.393 -0.578 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.211 1.902 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.763 1.723 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.341 2.066 -2.673 1.00 0.00 H new ATOM 1221 N THR A 81 4.715 -3.118 -2.762 1.00 0.00 N ATOM 1222 CA THR A 81 6.100 -3.527 -2.913 1.00 0.00 C ATOM 1223 C THR A 81 6.459 -3.646 -4.390 1.00 0.00 C ATOM 1224 O THR A 81 5.612 -3.432 -5.260 1.00 0.00 O ATOM 1225 CB THR A 81 6.363 -4.879 -2.219 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.348 -5.822 -2.590 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.397 -4.730 -0.704 1.00 0.00 C ATOM 0 H THR A 81 4.082 -3.522 -3.452 1.00 0.00 H new ATOM 0 HA THR A 81 6.721 -2.764 -2.443 1.00 0.00 H new ATOM 0 HB THR A 81 7.338 -5.240 -2.545 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.521 -6.679 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.584 -5.702 -0.247 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.191 -4.038 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.440 -4.343 -0.355 1.00 0.00 H new ATOM 1235 N GLU A 82 7.716 -3.986 -4.660 1.00 0.00 N ATOM 1236 CA GLU A 82 8.197 -4.222 -6.023 1.00 0.00 C ATOM 1237 C GLU A 82 7.367 -5.296 -6.729 1.00 0.00 C ATOM 1238 O GLU A 82 7.164 -5.244 -7.942 1.00 0.00 O ATOM 1239 CB GLU A 82 9.665 -4.654 -5.971 1.00 0.00 C ATOM 1240 CG GLU A 82 10.330 -4.803 -7.328 1.00 0.00 C ATOM 1241 CD GLU A 82 11.761 -5.290 -7.214 1.00 0.00 C ATOM 1242 OE1 GLU A 82 12.664 -4.456 -6.994 1.00 0.00 O ATOM 1243 OE2 GLU A 82 11.990 -6.513 -7.333 1.00 0.00 O ATOM 0 H GLU A 82 8.431 -4.106 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 82 8.098 -3.296 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.224 -3.924 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.731 -5.605 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.757 -5.503 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.315 -3.844 -7.846 1.00 0.00 H new ATOM 1250 N ALA A 83 6.888 -6.267 -5.958 1.00 0.00 N ATOM 1251 CA ALA A 83 6.118 -7.374 -6.507 1.00 0.00 C ATOM 1252 C ALA A 83 4.666 -6.976 -6.770 1.00 0.00 C ATOM 1253 O ALA A 83 3.901 -7.743 -7.353 1.00 0.00 O ATOM 1254 CB ALA A 83 6.179 -8.569 -5.571 1.00 0.00 C ATOM 0 H ALA A 83 7.021 -6.308 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 83 6.562 -7.647 -7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.600 -9.391 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.216 -8.882 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.765 -8.293 -4.601 1.00 0.00 H new ATOM 1260 N GLY A 84 4.287 -5.782 -6.338 1.00 0.00 N ATOM 1261 CA GLY A 84 2.936 -5.311 -6.562 1.00 0.00 C ATOM 1262 C GLY A 84 2.210 -4.997 -5.272 1.00 0.00 C ATOM 1263 O GLY A 84 2.841 -4.807 -4.227 1.00 0.00 O ATOM 0 H GLY A 84 4.891 -5.131 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.965 -4.417 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.378 -6.067 -7.114 1.00 0.00 H new ATOM 1267 N LEU A 85 0.884 -4.943 -5.344 1.00 0.00 N ATOM 1268 CA LEU A 85 0.056 -4.618 -4.191 1.00 0.00 C ATOM 1269 C LEU A 85 -0.556 -5.883 -3.593 1.00 0.00 C ATOM 1270 O LEU A 85 -1.184 -6.674 -4.301 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.065 -3.641 -4.576 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.620 -2.264 -5.087 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.210 -2.318 -6.555 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.728 -1.247 -4.881 1.00 0.00 C ATOM 0 H LEU A 85 0.357 -5.122 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 85 0.697 -4.144 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.678 -4.110 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.704 -3.493 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 85 0.254 -1.958 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.099 -1.326 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.619 -3.015 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.055 -2.652 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.401 -0.274 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.617 -1.561 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.963 -1.175 -3.819 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.371 -6.061 -2.295 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.884 -7.226 -1.586 1.00 0.00 C ATOM 1288 C LYS A 86 -1.904 -6.795 -0.534 1.00 0.00 C ATOM 1289 O LYS A 86 -1.780 -5.723 0.041 1.00 0.00 O ATOM 1290 CB LYS A 86 0.284 -7.946 -0.912 1.00 0.00 C ATOM 1291 CG LYS A 86 -0.088 -9.239 -0.201 1.00 0.00 C ATOM 1292 CD LYS A 86 1.068 -9.736 0.655 1.00 0.00 C ATOM 1293 CE LYS A 86 2.327 -9.939 -0.174 1.00 0.00 C ATOM 1294 NZ LYS A 86 3.543 -10.032 0.673 1.00 0.00 N ATOM 0 H LYS A 86 0.138 -5.405 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.376 -7.896 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.040 -8.167 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.742 -7.270 -0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.966 -9.076 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.356 -9.999 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.267 -9.019 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.791 -10.675 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.228 -10.848 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.436 -9.112 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.294 -10.525 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.866 -9.076 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.322 -10.560 1.541 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.912 -7.615 -0.284 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.872 -7.326 0.774 1.00 0.00 C ATOM 1310 C VAL A 87 -3.401 -7.959 2.080 1.00 0.00 C ATOM 1311 O VAL A 87 -3.316 -9.183 2.184 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.285 -7.850 0.433 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.278 -7.494 1.532 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.755 -7.305 -0.907 1.00 0.00 C ATOM 0 H VAL A 87 -3.088 -8.481 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.932 -6.243 0.877 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.231 -8.936 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.265 -7.874 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.956 -7.942 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.324 -6.411 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.752 -7.687 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.785 -6.216 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.065 -7.620 -1.690 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.087 -7.131 3.069 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.529 -7.633 4.322 1.00 0.00 C ATOM 1326 C VAL A 88 -3.435 -7.345 5.511 1.00 0.00 C ATOM 1327 O VAL A 88 -3.049 -7.567 6.652 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.127 -7.048 4.602 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.123 -7.559 3.584 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.164 -5.527 4.602 1.00 0.00 C ATOM 0 H VAL A 88 -3.207 -6.119 3.031 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.447 -8.713 4.198 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.812 -7.379 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.859 -7.136 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.070 -8.646 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.436 -7.262 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.165 -5.139 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.504 -5.171 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.849 -5.180 5.375 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.639 -6.867 5.252 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.561 -6.601 6.338 1.00 0.00 C ATOM 1342 C GLY A 89 -6.750 -5.781 5.899 1.00 0.00 C ATOM 1343 O GLY A 89 -6.709 -5.123 4.858 1.00 0.00 O ATOM 0 H GLY A 89 -4.995 -6.659 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.909 -7.546 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.036 -6.076 7.136 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.816 -5.820 6.685 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.026 -5.078 6.358 1.00 0.00 C ATOM 1349 C TYR A 90 -9.452 -4.167 7.503 1.00 0.00 C ATOM 1350 O TYR A 90 -10.527 -4.324 8.084 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.168 -6.020 5.953 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.212 -7.320 6.724 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.716 -7.375 8.016 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.747 -8.497 6.154 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.758 -8.562 8.716 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.787 -9.690 6.846 1.00 0.00 C ATOM 1357 CZ TYR A 90 -10.294 -9.717 8.127 1.00 0.00 C ATOM 1358 OH TYR A 90 -10.346 -10.903 8.823 1.00 0.00 O ATOM 0 H TYR A 90 -7.868 -6.356 7.551 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.794 -4.446 5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.116 -5.500 6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.077 -6.245 4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.082 -6.472 8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.347 -8.479 5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.153 -8.586 9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.423 -10.597 6.386 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.982 -11.624 8.268 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.587 -3.221 7.823 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.901 -2.171 8.773 1.00 0.00 C ATOM 1370 C ALA A 91 -7.961 -1.001 8.545 1.00 0.00 C ATOM 1371 O ALA A 91 -7.249 -0.970 7.544 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.803 -2.676 10.205 1.00 0.00 C ATOM 0 H ALA A 91 -7.647 -3.160 7.431 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.930 -1.845 8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.044 -1.866 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.505 -3.497 10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.789 -3.027 10.398 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.954 -0.042 9.452 1.00 0.00 N ATOM 1379 CA PHE A 92 -7.070 1.103 9.316 1.00 0.00 C ATOM 1380 C PHE A 92 -5.806 0.869 10.135 1.00 0.00 C ATOM 1381 O PHE A 92 -5.847 0.896 11.366 1.00 0.00 O ATOM 1382 CB PHE A 92 -7.786 2.378 9.766 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.190 3.642 9.209 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.357 3.972 7.869 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -6.477 4.507 10.024 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -6.824 5.141 7.358 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -5.940 5.675 9.513 1.00 0.00 C ATOM 1388 CZ PHE A 92 -6.112 5.992 8.181 1.00 0.00 C ATOM 0 H PHE A 92 -8.544 -0.031 10.284 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.790 1.225 8.270 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.833 2.320 9.468 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.767 2.428 10.855 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.909 3.308 7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.339 4.267 11.068 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.964 5.389 6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.385 6.340 10.158 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.691 6.903 7.783 1.00 0.00 H new ATOM 1398 N ASP A 93 -4.699 0.602 9.435 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.413 0.289 10.071 1.00 0.00 C ATOM 1400 C ASP A 93 -3.483 -1.044 10.812 1.00 0.00 C ATOM 1401 O ASP A 93 -3.002 -1.173 11.940 1.00 0.00 O ATOM 1402 CB ASP A 93 -2.973 1.404 11.029 1.00 0.00 C ATOM 1403 CG ASP A 93 -2.366 2.595 10.312 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -3.123 3.450 9.818 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -1.121 2.693 10.262 1.00 0.00 O ATOM 0 H ASP A 93 -4.668 0.596 8.415 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.669 0.211 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.833 1.736 11.611 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.246 1.003 11.735 1.00 0.00 H new ATOM 1410 N GLN A 94 -4.076 -2.041 10.166 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.182 -3.375 10.742 1.00 0.00 C ATOM 1412 C GLN A 94 -3.687 -4.410 9.744 1.00 0.00 C ATOM 1413 O GLN A 94 -4.056 -4.377 8.572 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.629 -3.687 11.122 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.784 -4.973 11.917 1.00 0.00 C ATOM 1416 CD GLN A 94 -7.230 -5.338 12.163 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -7.840 -4.893 13.135 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -7.781 -6.175 11.298 1.00 0.00 N ATOM 0 H GLN A 94 -4.492 -1.949 9.239 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.567 -3.410 11.642 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.030 -2.858 11.706 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.228 -3.756 10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.294 -5.787 11.382 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.273 -4.867 12.874 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.239 -6.520 10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.748 -6.475 11.424 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.864 -5.334 10.209 1.00 0.00 N ATOM 1428 CA VAL A 95 -2.289 -6.338 9.337 1.00 0.00 C ATOM 1429 C VAL A 95 -2.587 -7.739 9.859 1.00 0.00 C ATOM 1430 O VAL A 95 -1.975 -8.206 10.824 1.00 0.00 O ATOM 1431 CB VAL A 95 -0.769 -6.135 9.184 1.00 0.00 C ATOM 1432 CG1 VAL A 95 -0.142 -7.240 8.355 1.00 0.00 C ATOM 1433 CG2 VAL A 95 -0.491 -4.791 8.541 1.00 0.00 C ATOM 0 H VAL A 95 -2.580 -5.408 11.186 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.747 -6.228 8.354 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.324 -6.165 10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.930 -7.065 8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.315 -8.201 8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.591 -7.249 7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.585 -4.654 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.959 -4.754 7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.899 -3.997 9.167 1.00 0.00 H new ATOM 1443 N ASP A 96 -3.551 -8.388 9.226 1.00 0.00 N ATOM 1444 CA ASP A 96 -3.962 -9.729 9.603 1.00 0.00 C ATOM 1445 C ASP A 96 -3.025 -10.757 8.980 1.00 0.00 C ATOM 1446 O ASP A 96 -2.343 -10.472 7.998 1.00 0.00 O ATOM 1447 CB ASP A 96 -5.409 -9.981 9.175 1.00 0.00 C ATOM 1448 CG ASP A 96 -6.397 -9.088 9.903 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -6.809 -9.448 11.029 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -6.767 -8.025 9.357 1.00 0.00 O ATOM 0 H ASP A 96 -4.069 -8.000 8.438 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.907 -9.825 10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.500 -9.818 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.663 -11.025 9.361 1.00 0.00 H new ATOM 1455 N ASP A 97 -2.990 -11.951 9.554 1.00 0.00 N ATOM 1456 CA ASP A 97 -1.998 -12.951 9.166 1.00 0.00 C ATOM 1457 C ASP A 97 -2.574 -14.026 8.248 1.00 0.00 C ATOM 1458 O ASP A 97 -1.877 -14.544 7.373 1.00 0.00 O ATOM 1459 CB ASP A 97 -1.407 -13.606 10.417 1.00 0.00 C ATOM 1460 CG ASP A 97 -0.397 -14.688 10.089 1.00 0.00 C ATOM 1461 OD1 ASP A 97 0.777 -14.349 9.819 1.00 0.00 O ATOM 1462 OD2 ASP A 97 -0.769 -15.881 10.112 1.00 0.00 O ATOM 0 H ASP A 97 -3.632 -12.253 10.287 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.220 -12.431 8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.929 -12.842 11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -2.213 -14.035 11.013 1.00 0.00 H new ATOM 1467 N HIS A 98 -3.851 -14.344 8.422 1.00 0.00 N ATOM 1468 CA HIS A 98 -4.440 -15.500 7.748 1.00 0.00 C ATOM 1469 C HIS A 98 -4.848 -15.182 6.315 1.00 0.00 C ATOM 1470 O HIS A 98 -5.297 -16.066 5.583 1.00 0.00 O ATOM 1471 CB HIS A 98 -5.646 -16.033 8.528 1.00 0.00 C ATOM 1472 CG HIS A 98 -5.281 -16.656 9.839 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -5.733 -16.189 11.054 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -4.502 -17.726 10.121 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -5.247 -16.942 12.021 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -4.496 -17.883 11.483 1.00 0.00 N ATOM 0 H HIS A 98 -4.496 -13.825 9.018 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.669 -16.270 7.713 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -6.344 -15.215 8.705 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.167 -16.770 7.917 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -3.981 -18.343 9.404 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.433 -16.810 13.077 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -3.994 -18.608 11.995 1.00 0.00 H new ATOM 1485 N LEU A 99 -4.693 -13.934 5.909 1.00 0.00 N ATOM 1486 CA LEU A 99 -4.987 -13.556 4.538 1.00 0.00 C ATOM 1487 C LEU A 99 -3.853 -13.968 3.618 1.00 0.00 C ATOM 1488 O LEU A 99 -2.809 -13.320 3.565 1.00 0.00 O ATOM 1489 CB LEU A 99 -5.241 -12.056 4.395 1.00 0.00 C ATOM 1490 CG LEU A 99 -6.621 -11.580 4.842 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -6.727 -11.553 6.356 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -6.912 -10.217 4.248 1.00 0.00 C ATOM 0 H LEU A 99 -4.368 -13.171 6.503 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.900 -14.080 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.486 -11.520 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.101 -11.779 3.350 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.368 -12.285 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.720 -11.210 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.560 -12.555 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.977 -10.874 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.898 -9.883 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.159 -9.505 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.889 -10.282 3.160 1.00 0.00 H new ATOM 1504 N GLN A 100 -4.062 -15.057 2.907 1.00 0.00 N ATOM 1505 CA GLN A 100 -3.074 -15.539 1.961 1.00 0.00 C ATOM 1506 C GLN A 100 -3.525 -15.216 0.545 1.00 0.00 C ATOM 1507 O GLN A 100 -4.220 -16.002 -0.098 1.00 0.00 O ATOM 1508 CB GLN A 100 -2.837 -17.045 2.121 1.00 0.00 C ATOM 1509 CG GLN A 100 -1.684 -17.580 1.278 1.00 0.00 C ATOM 1510 CD GLN A 100 -0.354 -16.939 1.639 1.00 0.00 C ATOM 1511 OE1 GLN A 100 0.358 -17.419 2.519 1.00 0.00 O ATOM 1512 NE2 GLN A 100 0.000 -15.861 0.952 1.00 0.00 N ATOM 0 H GLN A 100 -4.907 -15.626 2.965 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.128 -15.036 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -2.639 -17.263 3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.749 -17.577 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.611 -18.659 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.896 -17.402 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.617 -15.492 0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.890 -15.401 1.147 1.00 0.00 H new ATOM 1521 N THR A 101 -3.174 -14.028 0.095 1.00 0.00 N ATOM 1522 CA THR A 101 -3.503 -13.596 -1.248 1.00 0.00 C ATOM 1523 C THR A 101 -2.253 -13.117 -1.978 1.00 0.00 C ATOM 1524 O THR A 101 -1.375 -12.497 -1.376 1.00 0.00 O ATOM 1525 CB THR A 101 -4.567 -12.472 -1.228 1.00 0.00 C ATOM 1526 OG1 THR A 101 -4.779 -11.958 -2.547 1.00 0.00 O ATOM 1527 CG2 THR A 101 -4.154 -11.336 -0.303 1.00 0.00 C ATOM 0 H THR A 101 -2.658 -13.341 0.644 1.00 0.00 H new ATOM 0 HA THR A 101 -3.918 -14.452 -1.780 1.00 0.00 H new ATOM 0 HB THR A 101 -5.494 -12.906 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.455 -11.249 -2.517 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.922 -10.563 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.034 -11.718 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.210 -10.913 -0.645 1.00 0.00 H new ATOM 1535 N PRO A 102 -2.143 -13.431 -3.279 1.00 0.00 N ATOM 1536 CA PRO A 102 -1.037 -12.958 -4.111 1.00 0.00 C ATOM 1537 C PRO A 102 -1.123 -11.457 -4.368 1.00 0.00 C ATOM 1538 O PRO A 102 -2.141 -10.818 -4.076 1.00 0.00 O ATOM 1539 CB PRO A 102 -1.210 -13.736 -5.418 1.00 0.00 C ATOM 1540 CG PRO A 102 -2.657 -14.080 -5.466 1.00 0.00 C ATOM 1541 CD PRO A 102 -3.078 -14.285 -4.037 1.00 0.00 C ATOM 0 HA PRO A 102 -0.069 -13.118 -3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.918 -13.134 -6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.590 -14.632 -5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.233 -13.281 -5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.825 -14.981 -6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.114 -13.987 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.997 -15.331 -3.740 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.059 -10.902 -4.920 1.00 0.00 N ATOM 1550 CA TYR A 103 0.006 -9.476 -5.193 1.00 0.00 C ATOM 1551 C TYR A 103 -0.445 -9.175 -6.618 1.00 0.00 C ATOM 1552 O TYR A 103 -0.348 -10.022 -7.505 1.00 0.00 O ATOM 1553 CB TYR A 103 1.429 -8.950 -4.956 1.00 0.00 C ATOM 1554 CG TYR A 103 2.494 -10.028 -4.966 1.00 0.00 C ATOM 1555 CD1 TYR A 103 2.966 -10.563 -6.158 1.00 0.00 C ATOM 1556 CD2 TYR A 103 3.024 -10.509 -3.776 1.00 0.00 C ATOM 1557 CE1 TYR A 103 3.937 -11.547 -6.164 1.00 0.00 C ATOM 1558 CE2 TYR A 103 3.995 -11.491 -3.775 1.00 0.00 C ATOM 1559 CZ TYR A 103 4.447 -12.007 -4.968 1.00 0.00 C ATOM 1560 OH TYR A 103 5.416 -12.984 -4.964 1.00 0.00 O ATOM 0 H TYR A 103 0.777 -11.420 -5.190 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.672 -8.966 -4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.665 -8.213 -5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.459 -8.433 -3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.568 -10.204 -7.096 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.671 -10.109 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.294 -11.953 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.398 -11.853 -2.841 1.00 0.00 H new ATOM 0 HH TYR A 103 5.666 -13.193 -4.040 1.00 0.00 H new ATOM 1570 N HIS A 104 -0.965 -7.975 -6.824 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.411 -7.549 -8.144 1.00 0.00 C ATOM 1572 C HIS A 104 -0.503 -6.443 -8.658 1.00 0.00 C ATOM 1573 O HIS A 104 -0.080 -5.582 -7.887 1.00 0.00 O ATOM 1574 CB HIS A 104 -2.864 -7.060 -8.101 1.00 0.00 C ATOM 1575 CG HIS A 104 -3.856 -8.122 -7.733 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.766 -8.647 -8.625 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.093 -8.742 -6.551 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.517 -9.543 -8.011 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.128 -9.617 -6.754 1.00 0.00 N ATOM 0 H HIS A 104 -1.089 -7.276 -6.092 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.361 -8.403 -8.819 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.940 -6.243 -7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.128 -6.653 -9.077 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -3.565 -8.577 -5.623 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.313 -10.117 -8.462 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -5.533 -10.228 -6.045 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.210 -6.473 -9.952 1.00 0.00 N ATOM 1589 CA GLU A 105 0.730 -5.530 -10.553 1.00 0.00 C ATOM 1590 C GLU A 105 0.233 -4.086 -10.440 1.00 0.00 C ATOM 1591 O GLU A 105 0.876 -3.251 -9.806 1.00 0.00 O ATOM 1592 CB GLU A 105 0.972 -5.888 -12.023 1.00 0.00 C ATOM 1593 CG GLU A 105 1.994 -4.996 -12.711 1.00 0.00 C ATOM 1594 CD GLU A 105 2.220 -5.382 -14.156 1.00 0.00 C ATOM 1595 OE1 GLU A 105 1.437 -4.941 -15.020 1.00 0.00 O ATOM 1596 OE2 GLU A 105 3.183 -6.126 -14.435 1.00 0.00 O ATOM 0 H GLU A 105 -0.611 -7.142 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 105 1.669 -5.604 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.307 -6.923 -12.085 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.027 -5.826 -12.563 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.658 -3.960 -12.663 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.940 -5.050 -12.172 1.00 0.00 H new ATOM 1603 N THR A 106 -0.907 -3.795 -11.045 1.00 0.00 N ATOM 1604 CA THR A 106 -1.424 -2.438 -11.050 1.00 0.00 C ATOM 1605 C THR A 106 -2.520 -2.252 -10.004 1.00 0.00 C ATOM 1606 O THR A 106 -3.347 -3.142 -9.784 1.00 0.00 O ATOM 1607 CB THR A 106 -1.970 -2.054 -12.440 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.916 -3.031 -12.891 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.845 -1.932 -13.453 1.00 0.00 C ATOM 0 H THR A 106 -1.488 -4.475 -11.535 1.00 0.00 H new ATOM 0 HA THR A 106 -0.590 -1.782 -10.802 1.00 0.00 H new ATOM 0 HB THR A 106 -2.464 -1.087 -12.349 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.135 -2.864 -13.831 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.258 -1.660 -14.424 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.145 -1.162 -13.128 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.324 -2.886 -13.534 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.514 -1.088 -9.361 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.543 -0.738 -8.390 1.00 0.00 C ATOM 1619 C VAL A 107 -4.910 -0.654 -9.066 1.00 0.00 C ATOM 1620 O VAL A 107 -5.947 -0.869 -8.436 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.215 0.605 -7.688 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.157 1.749 -8.690 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.220 0.902 -6.580 1.00 0.00 C ATOM 0 H VAL A 107 -1.804 -0.369 -9.497 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.569 -1.523 -7.634 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.229 0.510 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.925 2.678 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.383 1.545 -9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.121 1.844 -9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.967 1.849 -6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.222 0.965 -7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.190 0.104 -5.838 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.893 -0.381 -10.366 1.00 0.00 N ATOM 1634 CA TYR A 108 -6.114 -0.263 -11.147 1.00 0.00 C ATOM 1635 C TYR A 108 -6.864 -1.587 -11.147 1.00 0.00 C ATOM 1636 O TYR A 108 -8.028 -1.650 -10.759 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.784 0.157 -12.580 1.00 0.00 C ATOM 1638 CG TYR A 108 -5.060 1.483 -12.668 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.764 2.678 -12.699 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.670 1.540 -12.708 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -5.109 3.890 -12.768 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -3.008 2.750 -12.774 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.734 3.921 -12.804 1.00 0.00 C ATOM 1644 OH TYR A 108 -3.079 5.128 -12.865 1.00 0.00 O ATOM 0 H TYR A 108 -4.038 -0.237 -10.903 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.748 0.500 -10.696 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.170 -0.615 -13.044 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.708 0.218 -13.155 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.843 2.659 -12.669 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.100 0.623 -12.687 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.673 4.811 -12.794 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.929 2.779 -12.802 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.441 5.731 -12.183 1.00 0.00 H new ATOM 1654 N SER A 109 -6.170 -2.645 -11.550 1.00 0.00 N ATOM 1655 CA SER A 109 -6.755 -3.974 -11.592 1.00 0.00 C ATOM 1656 C SER A 109 -7.178 -4.415 -10.194 1.00 0.00 C ATOM 1657 O SER A 109 -8.225 -5.032 -10.016 1.00 0.00 O ATOM 1658 CB SER A 109 -5.745 -4.964 -12.171 1.00 0.00 C ATOM 1659 OG SER A 109 -5.174 -4.463 -13.369 1.00 0.00 O ATOM 0 H SER A 109 -5.197 -2.604 -11.853 1.00 0.00 H new ATOM 0 HA SER A 109 -7.639 -3.949 -12.229 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.958 -5.156 -11.441 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.236 -5.917 -12.368 1.00 0.00 H new ATOM 0 HG SER A 109 -4.374 -3.939 -13.156 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.363 -4.069 -9.201 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.620 -4.464 -7.823 1.00 0.00 C ATOM 1667 C LEU A 110 -7.911 -3.850 -7.292 1.00 0.00 C ATOM 1668 O LEU A 110 -8.812 -4.566 -6.859 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.455 -4.052 -6.924 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.659 -4.339 -5.437 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.668 -5.836 -5.170 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.581 -3.659 -4.613 1.00 0.00 C ATOM 0 H LEU A 110 -5.517 -3.514 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.726 -5.549 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.556 -4.569 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.276 -2.985 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.628 -3.936 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.815 -6.015 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.479 -6.301 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.717 -6.267 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.741 -3.874 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.602 -4.032 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.624 -2.582 -4.775 1.00 0.00 H new ATOM 1684 N LEU A 111 -8.000 -2.525 -7.342 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.124 -1.806 -6.753 1.00 0.00 C ATOM 1686 C LEU A 111 -10.414 -2.069 -7.526 1.00 0.00 C ATOM 1687 O LEU A 111 -11.509 -2.029 -6.964 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.829 -0.304 -6.719 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.855 0.548 -5.968 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.947 0.107 -4.513 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.485 2.022 -6.058 1.00 0.00 C ATOM 0 H LEU A 111 -7.304 -1.925 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.260 -2.168 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.851 -0.153 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.761 0.059 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.831 0.408 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.681 0.722 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.253 -0.938 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.974 0.221 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -10.223 2.616 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.501 2.178 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.465 2.329 -7.104 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.269 -2.408 -8.797 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.420 -2.596 -9.676 1.00 0.00 C ATOM 1705 C ASP A 112 -11.971 -3.983 -9.440 1.00 0.00 C ATOM 1706 O ASP A 112 -13.171 -4.245 -9.541 1.00 0.00 O ATOM 1707 CB ASP A 112 -11.009 -2.413 -11.138 1.00 0.00 C ATOM 1708 CG ASP A 112 -12.118 -2.763 -12.100 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -13.120 -2.026 -12.148 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.981 -3.770 -12.829 1.00 0.00 O ATOM 0 H ASP A 112 -9.366 -2.560 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.187 -1.854 -9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.706 -1.379 -11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.140 -3.037 -11.348 1.00 0.00 H new ATOM 1715 N THR A 113 -11.051 -4.852 -9.086 1.00 0.00 N ATOM 1716 CA THR A 113 -11.358 -6.179 -8.623 1.00 0.00 C ATOM 1717 C THR A 113 -12.097 -6.121 -7.281 1.00 0.00 C ATOM 1718 O THR A 113 -12.911 -6.990 -6.969 1.00 0.00 O ATOM 1719 CB THR A 113 -10.045 -6.973 -8.486 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.566 -7.353 -9.780 1.00 0.00 O ATOM 1721 CG2 THR A 113 -10.207 -8.193 -7.613 1.00 0.00 C ATOM 0 H THR A 113 -10.052 -4.649 -9.114 1.00 0.00 H new ATOM 0 HA THR A 113 -12.010 -6.676 -9.341 1.00 0.00 H new ATOM 0 HB THR A 113 -9.317 -6.322 -8.003 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.003 -6.638 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.256 -8.721 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.524 -7.887 -6.616 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.959 -8.853 -8.046 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.833 -5.071 -6.509 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.427 -4.935 -5.189 1.00 0.00 C ATOM 1731 C LEU A 114 -13.801 -4.281 -5.282 1.00 0.00 C ATOM 1732 O LEU A 114 -14.820 -4.897 -4.959 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.519 -4.110 -4.272 1.00 0.00 C ATOM 1734 CG LEU A 114 -10.128 -4.697 -4.022 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -9.329 -3.792 -3.098 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.236 -6.097 -3.439 1.00 0.00 C ATOM 0 H LEU A 114 -11.214 -4.306 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.541 -5.933 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.403 -3.116 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -12.019 -3.984 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.605 -4.764 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.342 -4.223 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.222 -2.808 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.849 -3.694 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.237 -6.498 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.778 -6.057 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.771 -6.741 -4.137 1.00 0.00 H new ATOM 1748 N SER A 115 -13.824 -3.043 -5.749 1.00 0.00 N ATOM 1749 CA SER A 115 -15.051 -2.270 -5.800 1.00 0.00 C ATOM 1750 C SER A 115 -15.477 -1.997 -7.241 1.00 0.00 C ATOM 1751 O SER A 115 -14.838 -1.223 -7.950 1.00 0.00 O ATOM 1752 CB SER A 115 -14.863 -0.958 -5.035 1.00 0.00 C ATOM 1753 OG SER A 115 -13.627 -0.347 -5.364 1.00 0.00 O ATOM 0 H SER A 115 -13.002 -2.551 -6.099 1.00 0.00 H new ATOM 0 HA SER A 115 -15.845 -2.850 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.682 -0.277 -5.268 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.903 -1.150 -3.963 1.00 0.00 H new ATOM 0 HG SER A 115 -13.497 -0.374 -6.335 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.567 -2.638 -7.689 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.142 -2.406 -9.022 1.00 0.00 C ATOM 1761 C PRO A 116 -17.598 -0.958 -9.209 1.00 0.00 C ATOM 1762 O PRO A 116 -17.837 -0.508 -10.334 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.345 -3.354 -9.074 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.081 -4.373 -8.019 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.310 -3.662 -6.943 1.00 0.00 C ATOM 0 HA PRO A 116 -16.413 -2.585 -9.812 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.276 -2.820 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.439 -3.818 -10.056 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.013 -4.780 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -17.510 -5.211 -8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.971 -3.218 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.641 -4.339 -6.412 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.707 -0.231 -8.098 1.00 0.00 N ATOM 1774 CA ALA A 117 -18.044 1.191 -8.122 1.00 0.00 C ATOM 1775 C ALA A 117 -16.940 1.998 -8.805 1.00 0.00 C ATOM 1776 O ALA A 117 -17.116 3.177 -9.127 1.00 0.00 O ATOM 1777 CB ALA A 117 -18.274 1.699 -6.706 1.00 0.00 C ATOM 0 H ALA A 117 -17.565 -0.609 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.963 1.318 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -18.524 2.759 -6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -19.094 1.145 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -17.368 1.557 -6.117 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.801 1.342 -9.013 1.00 0.00 N ATOM 1784 CA TYR A 118 -14.662 1.920 -9.711 1.00 0.00 C ATOM 1785 C TYR A 118 -15.074 2.413 -11.097 1.00 0.00 C ATOM 1786 O TYR A 118 -14.794 3.552 -11.475 1.00 0.00 O ATOM 1787 CB TYR A 118 -13.574 0.850 -9.835 1.00 0.00 C ATOM 1788 CG TYR A 118 -12.224 1.366 -10.272 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -11.897 1.471 -11.619 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.272 1.733 -9.332 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -10.655 1.929 -12.013 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.031 2.195 -9.719 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.727 2.291 -11.058 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.491 2.745 -11.442 1.00 0.00 O ATOM 0 H TYR A 118 -15.644 0.385 -8.697 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.285 2.774 -9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -13.462 0.352 -8.872 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.906 0.095 -10.547 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.624 1.191 -12.367 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.506 1.656 -8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -10.411 2.003 -13.063 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.302 2.480 -8.975 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.959 2.957 -10.647 1.00 0.00 H new ATOM 1804 N ARG A 119 -15.762 1.548 -11.830 1.00 0.00 N ATOM 1805 CA ARG A 119 -16.201 1.849 -13.188 1.00 0.00 C ATOM 1806 C ARG A 119 -17.184 3.015 -13.205 1.00 0.00 C ATOM 1807 O ARG A 119 -17.114 3.890 -14.070 1.00 0.00 O ATOM 1808 CB ARG A 119 -16.866 0.620 -13.806 1.00 0.00 C ATOM 1809 CG ARG A 119 -15.981 -0.616 -13.805 1.00 0.00 C ATOM 1810 CD ARG A 119 -14.796 -0.464 -14.744 1.00 0.00 C ATOM 1811 NE ARG A 119 -13.867 -1.578 -14.612 1.00 0.00 N ATOM 1812 CZ ARG A 119 -13.424 -2.316 -15.623 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -13.861 -2.098 -16.860 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -12.560 -3.289 -15.389 1.00 0.00 N ATOM 0 H ARG A 119 -16.031 0.620 -11.502 1.00 0.00 H new ATOM 0 HA ARG A 119 -15.322 2.127 -13.770 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.783 0.400 -13.260 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -17.153 0.850 -14.832 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -15.621 -0.804 -12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -16.570 -1.484 -14.101 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.151 -0.404 -15.773 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -14.278 0.471 -14.530 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.533 -1.808 -13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -14.542 -1.359 -17.038 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.516 -2.669 -17.631 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.239 -3.468 -14.438 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.215 -3.861 -16.160 1.00 0.00 H new ATOM 1828 N GLU A 120 -18.082 3.020 -12.229 1.00 0.00 N ATOM 1829 CA GLU A 120 -19.152 4.006 -12.165 1.00 0.00 C ATOM 1830 C GLU A 120 -18.597 5.396 -11.852 1.00 0.00 C ATOM 1831 O GLU A 120 -19.033 6.396 -12.424 1.00 0.00 O ATOM 1832 CB GLU A 120 -20.170 3.589 -11.101 1.00 0.00 C ATOM 1833 CG GLU A 120 -21.504 4.308 -11.212 1.00 0.00 C ATOM 1834 CD GLU A 120 -22.154 4.111 -12.567 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -22.215 2.959 -13.041 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -22.614 5.109 -13.165 1.00 0.00 O ATOM 0 H GLU A 120 -18.090 2.345 -11.464 1.00 0.00 H new ATOM 0 HA GLU A 120 -19.643 4.052 -13.137 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -20.340 2.515 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.748 3.777 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -22.175 3.945 -10.434 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -21.356 5.373 -11.034 1.00 0.00 H new ATOM 1843 N ALA A 121 -17.623 5.450 -10.948 1.00 0.00 N ATOM 1844 CA ALA A 121 -17.022 6.716 -10.548 1.00 0.00 C ATOM 1845 C ALA A 121 -16.150 7.279 -11.660 1.00 0.00 C ATOM 1846 O ALA A 121 -16.247 8.459 -12.007 1.00 0.00 O ATOM 1847 CB ALA A 121 -16.200 6.543 -9.279 1.00 0.00 C ATOM 0 H ALA A 121 -17.234 4.632 -10.480 1.00 0.00 H new ATOM 0 HA ALA A 121 -17.829 7.421 -10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -15.760 7.500 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -16.844 6.189 -8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -15.407 5.817 -9.456 1.00 0.00 H new ATOM 1853 N PHE A 122 -15.310 6.421 -12.228 1.00 0.00 N ATOM 1854 CA PHE A 122 -14.370 6.833 -13.264 1.00 0.00 C ATOM 1855 C PHE A 122 -15.115 7.327 -14.504 1.00 0.00 C ATOM 1856 O PHE A 122 -14.701 8.295 -15.144 1.00 0.00 O ATOM 1857 CB PHE A 122 -13.451 5.661 -13.623 1.00 0.00 C ATOM 1858 CG PHE A 122 -12.248 6.044 -14.439 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -11.163 6.665 -13.841 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -12.195 5.773 -15.797 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -10.050 7.010 -14.579 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -11.084 6.117 -16.542 1.00 0.00 C ATOM 1863 CZ PHE A 122 -10.007 6.736 -15.932 1.00 0.00 C ATOM 0 H PHE A 122 -15.261 5.431 -11.987 1.00 0.00 H new ATOM 0 HA PHE A 122 -13.765 7.656 -12.883 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -13.114 5.184 -12.703 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -14.028 4.918 -14.174 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -11.189 6.882 -12.783 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -13.031 5.288 -16.278 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.212 7.494 -14.099 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -11.056 5.903 -17.600 1.00 0.00 H new ATOM 0 HZ PHE A 122 -9.136 7.004 -16.512 1.00 0.00 H new