USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 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 132 ASN : amide:sc= -1.94! C(o=-1.1!,f=-2!) USER MOD Set 1.2: A 134 THR OG1 : rot -20:sc= 0.831 USER MOD Set 2.1: A 124 SER OG : rot 180:sc= 0.00122 USER MOD Set 2.2: A 125 SER OG : rot 180:sc= -0.205 USER MOD Set 3.1: A 79 MET CE :methyl 150:sc= -2.97 (180deg=-4.42!) USER MOD Set 3.2: A 117 GLN : amide:sc= 0.377 K(o=-2.8,f=-4.2) USER MOD Set 3.3: A 118 ASN :FLIP amide:sc= -0.216 F(o=-3.4,f=-2.8) USER MOD Set 4.1: A 63 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 88 THR OG1 : rot 33:sc= -1.05 USER MOD Single : A 33 HIS : no HD1:sc=-0.00322 X(o=-0.0032,f=-0.098) USER MOD Single : A 36 THR OG1 : rot 110:sc= -0.436 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.04 K(o=-1,f=-4.6!) USER MOD Single : A 57 LYS NZ :NH3+ -95:sc= -0.141 (180deg=-0.512) USER MOD Single : A 58 SER OG : rot -90:sc= -2.05 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.531 F(o=-1.7,f=-0.53) USER MOD Single : A 62 GLN :FLIP amide:sc= -3.76! C(o=-4.3!,f=-3.8!) USER MOD Single : A 64 MET CE :methyl 163:sc= -3.05 (180deg=-4.25!) USER MOD Single : A 66 ASN : amide:sc= -1.73! X(o=-1.7!,f=-1.3) USER MOD Single : A 68 GLN : amide:sc= -6.97! C(o=-7!,f=-17!) USER MOD Single : A 72 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.3!) USER MOD Single : A 73 ASN : amide:sc= -7.64! C(o=-7.6!,f=-10!) USER MOD Single : A 80 THR OG1 : rot 130:sc= -0.757 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -1.03 F(o=-2.7!,f=-1) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 39:sc= 0.0868 USER MOD Single : A 106 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-9!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -2:sc= -0.189 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 44:sc= 0.594 USER MOD Single : A 122 CYS SG : rot 180:sc= 0.0192 USER MOD Single : A 128 THR OG1 : rot 130:sc= -1.28 USER MOD Single : A 133 SER OG : rot -120:sc= -1.94 USER MOD Single : A 140 MET CE :methyl 170:sc= 0 (180deg=-0.0377) USER MOD Single : A 142 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -6.262 5.041 8.618 1.00 0.00 N ATOM 440 CA HIS A 33 -5.421 5.032 9.803 1.00 0.00 C ATOM 441 C HIS A 33 -4.396 3.901 9.696 1.00 0.00 C ATOM 442 O HIS A 33 -4.550 2.857 10.329 1.00 0.00 O ATOM 443 CB HIS A 33 -6.272 4.943 11.072 1.00 0.00 C ATOM 444 CG HIS A 33 -6.967 6.233 11.437 1.00 0.00 C ATOM 445 ND1 HIS A 33 -6.284 7.419 11.644 1.00 0.00 N ATOM 446 CD2 HIS A 33 -8.288 6.511 11.629 1.00 0.00 C ATOM 447 CE1 HIS A 33 -7.165 8.361 11.947 1.00 0.00 C ATOM 448 NE2 HIS A 33 -8.407 7.796 11.938 1.00 0.00 N ATOM 0 HA HIS A 33 -4.870 5.970 9.870 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.022 4.163 10.940 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.636 4.637 11.903 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.100 5.805 11.544 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.940 9.395 12.163 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.282 8.281 12.136 1.00 0.00 H new ATOM 456 N ALA A 34 -3.374 4.147 8.891 1.00 0.00 N ATOM 457 CA ALA A 34 -2.324 3.162 8.693 1.00 0.00 C ATOM 458 C ALA A 34 -1.116 3.531 9.556 1.00 0.00 C ATOM 459 O ALA A 34 -0.977 4.677 9.979 1.00 0.00 O ATOM 460 CB ALA A 34 -1.974 3.080 7.205 1.00 0.00 C ATOM 0 H ALA A 34 -3.250 5.014 8.368 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.662 2.173 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.186 2.341 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.858 2.787 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.628 4.054 6.858 1.00 0.00 H new ATOM 466 N ARG A 35 -0.272 2.537 9.792 1.00 0.00 N ATOM 467 CA ARG A 35 0.920 2.742 10.598 1.00 0.00 C ATOM 468 C ARG A 35 1.933 1.624 10.342 1.00 0.00 C ATOM 469 O ARG A 35 1.746 0.496 10.796 1.00 0.00 O ATOM 470 CB ARG A 35 0.578 2.779 12.088 1.00 0.00 C ATOM 471 CG ARG A 35 0.498 4.220 12.597 1.00 0.00 C ATOM 472 CD ARG A 35 -0.735 4.422 13.481 1.00 0.00 C ATOM 473 NE ARG A 35 -0.341 5.049 14.762 1.00 0.00 N ATOM 474 CZ ARG A 35 -1.155 5.173 15.819 1.00 0.00 C ATOM 475 NH1 ARG A 35 -2.413 4.715 15.754 1.00 0.00 N ATOM 476 NH2 ARG A 35 -0.712 5.756 16.942 1.00 0.00 N ATOM 0 H ARG A 35 -0.390 1.587 9.439 1.00 0.00 H new ATOM 0 HA ARG A 35 1.352 3.701 10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.374 2.276 12.259 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.334 2.232 12.652 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.398 4.460 13.162 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.460 4.907 11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.462 5.051 12.967 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.219 3.464 13.669 1.00 0.00 H new ATOM 0 HE ARG A 35 0.610 5.409 14.846 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.751 4.272 14.900 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.032 4.810 16.559 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.245 6.105 16.992 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.332 5.850 17.746 1.00 0.00 H new ATOM 490 N THR A 36 2.983 1.976 9.615 1.00 0.00 N ATOM 491 CA THR A 36 4.026 1.016 9.293 1.00 0.00 C ATOM 492 C THR A 36 5.080 0.982 10.402 1.00 0.00 C ATOM 493 O THR A 36 5.330 1.992 11.057 1.00 0.00 O ATOM 494 CB THR A 36 4.598 1.381 7.922 1.00 0.00 C ATOM 495 OG1 THR A 36 3.897 0.533 7.017 1.00 0.00 O ATOM 496 CG2 THR A 36 6.061 0.962 7.768 1.00 0.00 C ATOM 0 H THR A 36 3.134 2.912 9.240 1.00 0.00 H new ATOM 0 HA THR A 36 3.627 0.003 9.235 1.00 0.00 H new ATOM 0 HB THR A 36 4.510 2.456 7.766 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.282 1.070 6.475 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.418 1.244 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.664 1.461 8.527 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.145 -0.118 7.890 1.00 0.00 H new ATOM 504 N SER A 37 5.669 -0.192 10.578 1.00 0.00 N ATOM 505 CA SER A 37 6.690 -0.371 11.596 1.00 0.00 C ATOM 506 C SER A 37 7.595 -1.548 11.228 1.00 0.00 C ATOM 507 O SER A 37 7.405 -2.660 11.720 1.00 0.00 O ATOM 508 CB SER A 37 6.062 -0.595 12.973 1.00 0.00 C ATOM 509 OG SER A 37 6.732 0.143 13.991 1.00 0.00 O ATOM 0 H SER A 37 5.459 -1.028 10.033 1.00 0.00 H new ATOM 0 HA SER A 37 7.289 0.539 11.643 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.012 -0.303 12.945 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.091 -1.657 13.216 1.00 0.00 H new ATOM 0 HG SER A 37 6.301 -0.025 14.855 1.00 0.00 H new ATOM 515 N GLY A 38 8.560 -1.265 10.365 1.00 0.00 N ATOM 516 CA GLY A 38 9.495 -2.286 9.925 1.00 0.00 C ATOM 517 C GLY A 38 10.204 -1.863 8.637 1.00 0.00 C ATOM 518 O GLY A 38 10.474 -0.680 8.433 1.00 0.00 O ATOM 0 H GLY A 38 8.714 -0.342 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.232 -2.470 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.964 -3.224 9.761 1.00 0.00 H new ATOM 522 N ARG A 39 10.485 -2.852 7.802 1.00 0.00 N ATOM 523 CA ARG A 39 11.158 -2.596 6.539 1.00 0.00 C ATOM 524 C ARG A 39 10.133 -2.432 5.415 1.00 0.00 C ATOM 525 O ARG A 39 10.245 -1.520 4.597 1.00 0.00 O ATOM 526 CB ARG A 39 12.115 -3.736 6.184 1.00 0.00 C ATOM 527 CG ARG A 39 13.419 -3.624 6.976 1.00 0.00 C ATOM 528 CD ARG A 39 14.566 -4.326 6.246 1.00 0.00 C ATOM 529 NE ARG A 39 15.074 -5.450 7.064 1.00 0.00 N ATOM 530 CZ ARG A 39 15.908 -5.306 8.103 1.00 0.00 C ATOM 531 NH1 ARG A 39 16.332 -4.086 8.458 1.00 0.00 N ATOM 532 NH2 ARG A 39 16.317 -6.383 8.788 1.00 0.00 N ATOM 0 H ARG A 39 10.259 -3.832 7.975 1.00 0.00 H new ATOM 0 HA ARG A 39 11.732 -1.676 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.639 -4.694 6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.331 -3.715 5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.668 -2.574 7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.288 -4.065 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.221 -4.695 5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.370 -3.617 6.048 1.00 0.00 H new ATOM 0 HE ARG A 39 14.770 -6.393 6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.020 -3.266 7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.967 -3.977 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.993 -7.312 8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.952 -6.274 9.579 1.00 0.00 H new ATOM 546 N VAL A 40 9.157 -3.327 5.412 1.00 0.00 N ATOM 547 CA VAL A 40 8.113 -3.293 4.402 1.00 0.00 C ATOM 548 C VAL A 40 6.919 -2.499 4.936 1.00 0.00 C ATOM 549 O VAL A 40 6.707 -2.429 6.146 1.00 0.00 O ATOM 550 CB VAL A 40 7.744 -4.717 3.982 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.518 -4.718 3.066 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.929 -5.415 3.312 1.00 0.00 C ATOM 0 H VAL A 40 9.067 -4.081 6.093 1.00 0.00 H new ATOM 0 HA VAL A 40 8.466 -2.785 3.505 1.00 0.00 H new ATOM 0 HB VAL A 40 7.490 -5.277 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.277 -5.742 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.671 -4.278 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.732 -4.134 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.640 -6.426 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.227 -4.855 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.765 -5.462 4.009 1.00 0.00 H new ATOM 562 N ALA A 41 6.170 -1.921 4.008 1.00 0.00 N ATOM 563 CA ALA A 41 5.003 -1.135 4.371 1.00 0.00 C ATOM 564 C ALA A 41 3.867 -1.435 3.391 1.00 0.00 C ATOM 565 O ALA A 41 4.113 -1.753 2.228 1.00 0.00 O ATOM 566 CB ALA A 41 5.375 0.349 4.395 1.00 0.00 C ATOM 0 H ALA A 41 6.349 -1.981 3.006 1.00 0.00 H new ATOM 0 HA ALA A 41 4.656 -1.401 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.500 0.939 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.166 0.514 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.725 0.652 3.408 1.00 0.00 H new ATOM 572 N VAL A 42 2.648 -1.324 3.897 1.00 0.00 N ATOM 573 CA VAL A 42 1.473 -1.580 3.081 1.00 0.00 C ATOM 574 C VAL A 42 1.292 -0.435 2.082 1.00 0.00 C ATOM 575 O VAL A 42 0.558 0.515 2.348 1.00 0.00 O ATOM 576 CB VAL A 42 0.250 -1.791 3.976 1.00 0.00 C ATOM 577 CG1 VAL A 42 -1.003 -2.054 3.139 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.491 -2.926 4.974 1.00 0.00 C ATOM 0 H VAL A 42 2.448 -1.060 4.862 1.00 0.00 H new ATOM 0 HA VAL A 42 1.600 -2.497 2.506 1.00 0.00 H new ATOM 0 HB VAL A 42 0.087 -0.875 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.858 -2.201 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.191 -1.201 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.855 -2.948 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.393 -3.056 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.691 -3.850 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.347 -2.682 5.603 1.00 0.00 H new ATOM 588 N GLU A 43 1.974 -0.564 0.953 1.00 0.00 N ATOM 589 CA GLU A 43 1.897 0.448 -0.087 1.00 0.00 C ATOM 590 C GLU A 43 0.475 1.002 -0.184 1.00 0.00 C ATOM 591 O GLU A 43 0.244 2.181 0.083 1.00 0.00 O ATOM 592 CB GLU A 43 2.361 -0.113 -1.432 1.00 0.00 C ATOM 593 CG GLU A 43 2.992 0.983 -2.295 1.00 0.00 C ATOM 594 CD GLU A 43 1.922 1.748 -3.078 1.00 0.00 C ATOM 595 OE1 GLU A 43 0.940 1.091 -3.487 1.00 0.00 O ATOM 596 OE2 GLU A 43 2.112 2.971 -3.250 1.00 0.00 O ATOM 0 H GLU A 43 2.582 -1.354 0.736 1.00 0.00 H new ATOM 0 HA GLU A 43 2.567 1.266 0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.084 -0.912 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.514 -0.553 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.548 1.674 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.707 0.539 -2.988 1.00 0.00 H new ATOM 603 N GLU A 44 -0.442 0.126 -0.568 1.00 0.00 N ATOM 604 CA GLU A 44 -1.836 0.513 -0.704 1.00 0.00 C ATOM 605 C GLU A 44 -2.738 -0.721 -0.644 1.00 0.00 C ATOM 606 O GLU A 44 -2.473 -1.721 -1.309 1.00 0.00 O ATOM 607 CB GLU A 44 -2.064 1.296 -1.999 1.00 0.00 C ATOM 608 CG GLU A 44 -3.544 1.637 -2.181 1.00 0.00 C ATOM 609 CD GLU A 44 -3.830 3.080 -1.759 1.00 0.00 C ATOM 610 OE1 GLU A 44 -3.400 3.986 -2.506 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.471 3.245 -0.699 1.00 0.00 O ATOM 0 H GLU A 44 -0.247 -0.850 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.093 1.168 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.475 2.213 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.715 0.709 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.828 1.496 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.154 0.954 -1.590 1.00 0.00 H new ATOM 618 N VAL A 45 -3.785 -0.610 0.160 1.00 0.00 N ATOM 619 CA VAL A 45 -4.728 -1.705 0.316 1.00 0.00 C ATOM 620 C VAL A 45 -6.139 -1.207 -0.004 1.00 0.00 C ATOM 621 O VAL A 45 -6.672 -0.350 0.698 1.00 0.00 O ATOM 622 CB VAL A 45 -4.609 -2.302 1.720 1.00 0.00 C ATOM 623 CG1 VAL A 45 -5.875 -3.074 2.097 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.370 -3.193 1.833 1.00 0.00 C ATOM 0 H VAL A 45 -4.001 0.221 0.710 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.500 -2.508 -0.385 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.496 -1.479 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.764 -3.488 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.732 -2.401 2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.032 -3.884 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.309 -3.605 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.440 -4.007 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.477 -2.602 1.627 1.00 0.00 H new ATOM 634 N ASP A 46 -6.703 -1.766 -1.064 1.00 0.00 N ATOM 635 CA ASP A 46 -8.041 -1.390 -1.486 1.00 0.00 C ATOM 636 C ASP A 46 -9.022 -1.640 -0.339 1.00 0.00 C ATOM 637 O ASP A 46 -9.203 -2.778 0.091 1.00 0.00 O ATOM 638 CB ASP A 46 -8.496 -2.223 -2.686 1.00 0.00 C ATOM 639 CG ASP A 46 -9.536 -1.549 -3.584 1.00 0.00 C ATOM 640 OD1 ASP A 46 -10.246 -0.663 -3.063 1.00 0.00 O ATOM 641 OD2 ASP A 46 -9.596 -1.936 -4.771 1.00 0.00 O ATOM 0 H ASP A 46 -6.257 -2.477 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.022 -0.336 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.623 -2.471 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.908 -3.164 -2.321 1.00 0.00 H new ATOM 646 N GLU A 47 -9.629 -0.558 0.125 1.00 0.00 N ATOM 647 CA GLU A 47 -10.587 -0.646 1.215 1.00 0.00 C ATOM 648 C GLU A 47 -11.742 -1.573 0.833 1.00 0.00 C ATOM 649 O GLU A 47 -12.226 -2.342 1.662 1.00 0.00 O ATOM 650 CB GLU A 47 -11.103 0.741 1.604 1.00 0.00 C ATOM 651 CG GLU A 47 -11.615 1.500 0.378 1.00 0.00 C ATOM 652 CD GLU A 47 -12.435 2.723 0.793 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.821 3.651 1.362 1.00 0.00 O ATOM 654 OE2 GLU A 47 -13.657 2.702 0.531 1.00 0.00 O ATOM 0 H GLU A 47 -9.476 0.385 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.082 -1.067 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.905 0.642 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.304 1.309 2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.772 1.815 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.227 0.838 -0.234 1.00 0.00 H new ATOM 661 N GLU A 48 -12.150 -1.471 -0.424 1.00 0.00 N ATOM 662 CA GLU A 48 -13.239 -2.292 -0.926 1.00 0.00 C ATOM 663 C GLU A 48 -12.946 -3.773 -0.677 1.00 0.00 C ATOM 664 O GLU A 48 -13.866 -4.577 -0.542 1.00 0.00 O ATOM 665 CB GLU A 48 -13.487 -2.024 -2.412 1.00 0.00 C ATOM 666 CG GLU A 48 -14.672 -1.076 -2.607 1.00 0.00 C ATOM 667 CD GLU A 48 -15.822 -1.777 -3.333 1.00 0.00 C ATOM 668 OE1 GLU A 48 -15.513 -2.619 -4.205 1.00 0.00 O ATOM 669 OE2 GLU A 48 -16.983 -1.457 -3.001 1.00 0.00 O ATOM 0 H GLU A 48 -11.746 -0.833 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.148 -2.026 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.593 -1.592 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.680 -2.965 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.016 -0.714 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.354 -0.204 -3.179 1.00 0.00 H new ATOM 676 N GLY A 49 -11.660 -4.088 -0.625 1.00 0.00 N ATOM 677 CA GLY A 49 -11.234 -5.458 -0.395 1.00 0.00 C ATOM 678 C GLY A 49 -11.140 -6.232 -1.711 1.00 0.00 C ATOM 679 O GLY A 49 -11.820 -7.241 -1.892 1.00 0.00 O ATOM 0 H GLY A 49 -10.899 -3.418 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.265 -5.462 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.938 -5.954 0.273 1.00 0.00 H new ATOM 683 N LYS A 50 -10.293 -5.729 -2.597 1.00 0.00 N ATOM 684 CA LYS A 50 -10.102 -6.360 -3.892 1.00 0.00 C ATOM 685 C LYS A 50 -8.692 -6.951 -3.963 1.00 0.00 C ATOM 686 O LYS A 50 -8.508 -8.072 -4.434 1.00 0.00 O ATOM 687 CB LYS A 50 -10.413 -5.374 -5.020 1.00 0.00 C ATOM 688 CG LYS A 50 -11.831 -5.584 -5.555 1.00 0.00 C ATOM 689 CD LYS A 50 -11.811 -5.904 -7.051 1.00 0.00 C ATOM 690 CE LYS A 50 -11.692 -4.626 -7.884 1.00 0.00 C ATOM 691 NZ LYS A 50 -12.097 -4.880 -9.284 1.00 0.00 N ATOM 0 H LYS A 50 -9.731 -4.892 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.802 -7.186 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.306 -4.353 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.693 -5.501 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.312 -6.398 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.426 -4.688 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.975 -6.567 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.721 -6.437 -7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.319 -3.845 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.665 -4.262 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.010 -4.002 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.482 -5.610 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.084 -5.206 -9.306 1.00 0.00 H new ATOM 705 N PHE A 51 -7.733 -6.169 -3.489 1.00 0.00 N ATOM 706 CA PHE A 51 -6.346 -6.601 -3.493 1.00 0.00 C ATOM 707 C PHE A 51 -5.527 -5.825 -2.459 1.00 0.00 C ATOM 708 O PHE A 51 -5.909 -4.728 -2.056 1.00 0.00 O ATOM 709 CB PHE A 51 -5.791 -6.309 -4.888 1.00 0.00 C ATOM 710 CG PHE A 51 -5.630 -4.819 -5.195 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.485 -4.172 -4.848 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.633 -4.140 -5.815 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.336 -2.789 -5.132 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.484 -2.757 -6.100 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.339 -2.111 -5.753 1.00 0.00 C ATOM 0 H PHE A 51 -7.889 -5.239 -3.100 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.286 -7.661 -3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.822 -6.797 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.453 -6.753 -5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.689 -4.711 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.543 -4.653 -6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.427 -2.275 -4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.280 -2.218 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.226 -1.059 -5.970 1.00 0.00 H new ATOM 725 N VAL A 52 -4.416 -6.426 -2.060 1.00 0.00 N ATOM 726 CA VAL A 52 -3.540 -5.806 -1.080 1.00 0.00 C ATOM 727 C VAL A 52 -2.160 -5.585 -1.704 1.00 0.00 C ATOM 728 O VAL A 52 -1.482 -6.541 -2.073 1.00 0.00 O ATOM 729 CB VAL A 52 -3.492 -6.655 0.191 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.350 -6.208 1.107 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.832 -6.617 0.928 1.00 0.00 C ATOM 0 H VAL A 52 -4.102 -7.336 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.925 -4.829 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.301 -7.687 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.339 -6.828 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.400 -6.312 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.497 -5.165 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.770 -7.229 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.066 -5.589 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.616 -7.006 0.278 1.00 0.00 H new ATOM 741 N ARG A 53 -1.787 -4.317 -1.802 1.00 0.00 N ATOM 742 CA ARG A 53 -0.501 -3.958 -2.375 1.00 0.00 C ATOM 743 C ARG A 53 0.495 -3.609 -1.266 1.00 0.00 C ATOM 744 O ARG A 53 0.206 -2.779 -0.406 1.00 0.00 O ATOM 745 CB ARG A 53 -0.634 -2.766 -3.325 1.00 0.00 C ATOM 746 CG ARG A 53 -0.146 -3.127 -4.729 1.00 0.00 C ATOM 747 CD ARG A 53 0.357 -1.887 -5.470 1.00 0.00 C ATOM 748 NE ARG A 53 -0.182 -1.867 -6.849 1.00 0.00 N ATOM 749 CZ ARG A 53 -0.038 -0.841 -7.697 1.00 0.00 C ATOM 750 NH1 ARG A 53 0.629 0.256 -7.315 1.00 0.00 N ATOM 751 NH2 ARG A 53 -0.561 -0.912 -8.929 1.00 0.00 N ATOM 0 H ARG A 53 -2.353 -3.526 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.137 -4.818 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.675 -2.446 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.058 -1.924 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.654 -3.864 -4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.957 -3.588 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.051 -0.986 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.447 -1.886 -5.497 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.695 -2.687 -7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.028 0.310 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.738 1.037 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.069 -1.747 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.452 -0.131 -9.575 1.00 0.00 H new ATOM 765 N LEU A 54 1.647 -4.261 -1.323 1.00 0.00 N ATOM 766 CA LEU A 54 2.687 -4.030 -0.335 1.00 0.00 C ATOM 767 C LEU A 54 3.979 -3.622 -1.046 1.00 0.00 C ATOM 768 O LEU A 54 4.289 -4.136 -2.120 1.00 0.00 O ATOM 769 CB LEU A 54 2.844 -5.251 0.573 1.00 0.00 C ATOM 770 CG LEU A 54 1.550 -5.971 0.959 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.835 -7.402 1.420 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.771 -5.175 2.008 1.00 0.00 C ATOM 0 H LEU A 54 1.883 -4.949 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 54 2.411 -3.206 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.500 -5.966 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.348 -4.937 1.487 1.00 0.00 H new ATOM 0 HG LEU A 54 0.919 -6.038 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.899 -7.891 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.315 -7.955 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.495 -7.380 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.144 -5.709 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.383 -5.054 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.518 -4.194 1.606 1.00 0.00 H new ATOM 784 N ARG A 55 4.697 -2.703 -0.419 1.00 0.00 N ATOM 785 CA ARG A 55 5.948 -2.220 -0.978 1.00 0.00 C ATOM 786 C ARG A 55 7.045 -2.231 0.088 1.00 0.00 C ATOM 787 O ARG A 55 6.767 -2.046 1.272 1.00 0.00 O ATOM 788 CB ARG A 55 5.794 -0.800 -1.528 1.00 0.00 C ATOM 789 CG ARG A 55 7.158 -0.187 -1.851 1.00 0.00 C ATOM 790 CD ARG A 55 7.028 0.916 -2.903 1.00 0.00 C ATOM 791 NE ARG A 55 6.582 2.174 -2.265 1.00 0.00 N ATOM 792 CZ ARG A 55 7.394 3.008 -1.600 1.00 0.00 C ATOM 793 NH1 ARG A 55 8.698 2.723 -1.483 1.00 0.00 N ATOM 794 NH2 ARG A 55 6.902 4.128 -1.053 1.00 0.00 N ATOM 0 H ARG A 55 4.436 -2.279 0.472 1.00 0.00 H new ATOM 0 HA ARG A 55 6.225 -2.886 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.178 -0.819 -2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.275 -0.178 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.601 0.222 -0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.833 -0.963 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.986 1.070 -3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.315 0.615 -3.671 1.00 0.00 H new ATOM 0 HE ARG A 55 5.595 2.422 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.073 1.871 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.315 3.358 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.910 4.346 -1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.520 4.762 -0.547 1.00 0.00 H new ATOM 808 N ASN A 56 8.269 -2.450 -0.370 1.00 0.00 N ATOM 809 CA ASN A 56 9.409 -2.488 0.529 1.00 0.00 C ATOM 810 C ASN A 56 10.157 -1.155 0.455 1.00 0.00 C ATOM 811 O ASN A 56 10.771 -0.840 -0.564 1.00 0.00 O ATOM 812 CB ASN A 56 10.385 -3.599 0.137 1.00 0.00 C ATOM 813 CG ASN A 56 11.292 -3.972 1.310 1.00 0.00 C ATOM 814 OD1 ASN A 56 11.265 -3.364 2.367 1.00 0.00 O ATOM 815 ND2 ASN A 56 12.096 -5.004 1.066 1.00 0.00 N ATOM 0 H ASN A 56 8.496 -2.603 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 56 9.036 -2.675 1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.829 -4.477 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.992 -3.273 -0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.740 -5.330 1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.068 -5.469 0.159 1.00 0.00 H new ATOM 822 N LYS A 57 10.080 -0.408 1.546 1.00 0.00 N ATOM 823 CA LYS A 57 10.742 0.884 1.617 1.00 0.00 C ATOM 824 C LYS A 57 12.238 0.673 1.858 1.00 0.00 C ATOM 825 O LYS A 57 13.063 1.444 1.371 1.00 0.00 O ATOM 826 CB LYS A 57 10.070 1.773 2.665 1.00 0.00 C ATOM 827 CG LYS A 57 8.737 2.320 2.147 1.00 0.00 C ATOM 828 CD LYS A 57 7.588 1.367 2.480 1.00 0.00 C ATOM 829 CE LYS A 57 6.535 1.369 1.370 1.00 0.00 C ATOM 830 NZ LYS A 57 5.497 2.389 1.642 1.00 0.00 N ATOM 0 H LYS A 57 9.569 -0.672 2.388 1.00 0.00 H new ATOM 0 HA LYS A 57 10.643 1.415 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.903 1.202 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.731 2.600 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.544 3.297 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.794 2.464 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.976 0.358 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.128 1.662 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.010 1.572 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.075 0.384 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.692 1.944 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.895 3.137 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.174 2.804 0.745 1.00 0.00 H new ATOM 844 N SER A 58 12.542 -0.375 2.610 1.00 0.00 N ATOM 845 CA SER A 58 13.924 -0.696 2.921 1.00 0.00 C ATOM 846 C SER A 58 14.715 -0.913 1.630 1.00 0.00 C ATOM 847 O SER A 58 14.135 -1.198 0.583 1.00 0.00 O ATOM 848 CB SER A 58 14.014 -1.936 3.813 1.00 0.00 C ATOM 849 OG SER A 58 14.061 -1.597 5.196 1.00 0.00 O ATOM 0 H SER A 58 11.855 -1.012 3.013 1.00 0.00 H new ATOM 0 HA SER A 58 14.355 0.143 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.154 -2.580 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.904 -2.508 3.550 1.00 0.00 H new ATOM 0 HG SER A 58 14.994 -1.483 5.473 1.00 0.00 H new ATOM 855 N ASN A 59 16.027 -0.769 1.745 1.00 0.00 N ATOM 856 CA ASN A 59 16.903 -0.946 0.600 1.00 0.00 C ATOM 857 C ASN A 59 17.506 -2.352 0.636 1.00 0.00 C ATOM 858 O ASN A 59 18.486 -2.629 -0.054 1.00 0.00 O ATOM 859 CB ASN A 59 18.053 0.063 0.625 1.00 0.00 C ATOM 860 CG ASN A 59 18.690 0.134 2.015 1.00 0.00 C ATOM 861 OD1 ASN A 59 19.418 -0.933 2.331 1.00 0.00 O flip ATOM 862 ND2 ASN A 59 18.530 1.094 2.751 1.00 0.00 N flip ATOM 0 H ASN A 59 16.505 -0.532 2.614 1.00 0.00 H new ATOM 0 HA ASN A 59 16.311 -0.796 -0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.806 -0.220 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.684 1.048 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.958 1.881 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 59 18.968 1.109 3.672 1.00 0.00 H new ATOM 869 N GLU A 60 16.896 -3.202 1.448 1.00 0.00 N ATOM 870 CA GLU A 60 17.360 -4.572 1.584 1.00 0.00 C ATOM 871 C GLU A 60 16.259 -5.550 1.170 1.00 0.00 C ATOM 872 O GLU A 60 15.075 -5.221 1.237 1.00 0.00 O ATOM 873 CB GLU A 60 17.834 -4.852 3.011 1.00 0.00 C ATOM 874 CG GLU A 60 16.656 -4.867 3.987 1.00 0.00 C ATOM 875 CD GLU A 60 16.897 -5.862 5.124 1.00 0.00 C ATOM 876 OE1 GLU A 60 17.679 -5.507 6.032 1.00 0.00 O ATOM 877 OE2 GLU A 60 16.295 -6.956 5.058 1.00 0.00 O ATOM 0 H GLU A 60 16.084 -2.968 2.019 1.00 0.00 H new ATOM 0 HA GLU A 60 18.212 -4.713 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.351 -5.811 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.553 -4.091 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.508 -3.869 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.742 -5.132 3.455 1.00 0.00 H new ATOM 884 N ASP A 61 16.687 -6.732 0.752 1.00 0.00 N ATOM 885 CA ASP A 61 15.751 -7.759 0.328 1.00 0.00 C ATOM 886 C ASP A 61 15.031 -8.325 1.553 1.00 0.00 C ATOM 887 O ASP A 61 15.655 -8.942 2.415 1.00 0.00 O ATOM 888 CB ASP A 61 16.477 -8.912 -0.368 1.00 0.00 C ATOM 889 CG ASP A 61 17.687 -9.464 0.388 1.00 0.00 C ATOM 890 OD1 ASP A 61 18.708 -8.743 0.429 1.00 0.00 O ATOM 891 OD2 ASP A 61 17.565 -10.594 0.908 1.00 0.00 O ATOM 0 H ASP A 61 17.669 -7.001 0.698 1.00 0.00 H new ATOM 0 HA ASP A 61 15.045 -7.305 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.767 -9.723 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.805 -8.574 -1.351 1.00 0.00 H new ATOM 896 N GLN A 62 13.727 -8.094 1.593 1.00 0.00 N ATOM 897 CA GLN A 62 12.915 -8.573 2.699 1.00 0.00 C ATOM 898 C GLN A 62 12.339 -9.953 2.375 1.00 0.00 C ATOM 899 O GLN A 62 11.544 -10.096 1.448 1.00 0.00 O ATOM 900 CB GLN A 62 11.802 -7.578 3.033 1.00 0.00 C ATOM 901 CG GLN A 62 10.921 -8.101 4.169 1.00 0.00 C ATOM 902 CD GLN A 62 11.763 -8.449 5.399 1.00 0.00 C ATOM 903 OE1 GLN A 62 11.904 -9.755 5.606 1.00 0.00 O flip ATOM 904 NE2 GLN A 62 12.252 -7.588 6.112 1.00 0.00 N flip ATOM 0 H GLN A 62 13.212 -7.581 0.877 1.00 0.00 H new ATOM 0 HA GLN A 62 13.551 -8.664 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.239 -6.621 3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.192 -7.399 2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.178 -7.349 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.376 -8.984 3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.104 -6.602 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.808 -7.854 6.924 1.00 0.00 H new ATOM 913 N SER A 63 12.762 -10.934 3.159 1.00 0.00 N ATOM 914 CA SER A 63 12.297 -12.297 2.968 1.00 0.00 C ATOM 915 C SER A 63 10.903 -12.465 3.576 1.00 0.00 C ATOM 916 O SER A 63 10.695 -12.170 4.751 1.00 0.00 O ATOM 917 CB SER A 63 13.271 -13.302 3.587 1.00 0.00 C ATOM 918 OG SER A 63 14.554 -13.252 2.969 1.00 0.00 O ATOM 0 H SER A 63 13.421 -10.812 3.927 1.00 0.00 H new ATOM 0 HA SER A 63 12.245 -12.494 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.374 -13.098 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.862 -14.308 3.493 1.00 0.00 H new ATOM 0 HG SER A 63 15.147 -13.907 3.393 1.00 0.00 H new ATOM 924 N MET A 64 9.985 -12.940 2.747 1.00 0.00 N ATOM 925 CA MET A 64 8.616 -13.151 3.188 1.00 0.00 C ATOM 926 C MET A 64 8.244 -14.634 3.130 1.00 0.00 C ATOM 927 O MET A 64 7.099 -14.979 2.846 1.00 0.00 O ATOM 928 CB MET A 64 7.664 -12.350 2.298 1.00 0.00 C ATOM 929 CG MET A 64 8.087 -10.882 2.224 1.00 0.00 C ATOM 930 SD MET A 64 6.828 -9.925 1.395 1.00 0.00 S ATOM 931 CE MET A 64 5.420 -10.307 2.423 1.00 0.00 C ATOM 0 H MET A 64 10.162 -13.185 1.773 1.00 0.00 H new ATOM 0 HA MET A 64 8.531 -12.815 4.221 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.650 -12.779 1.296 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.649 -12.420 2.689 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.250 -10.491 3.228 1.00 0.00 H new ATOM 0 HG3 MET A 64 9.033 -10.794 1.690 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.630 -9.577 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.053 -11.305 2.182 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.715 -10.273 3.472 1.00 0.00 H new ATOM 941 N GLY A 65 9.234 -15.471 3.405 1.00 0.00 N ATOM 942 CA GLY A 65 9.025 -16.908 3.388 1.00 0.00 C ATOM 943 C GLY A 65 8.319 -17.375 4.662 1.00 0.00 C ATOM 944 O GLY A 65 8.794 -18.283 5.343 1.00 0.00 O ATOM 0 H GLY A 65 10.183 -15.181 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.430 -17.182 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.984 -17.417 3.292 1.00 0.00 H new ATOM 948 N ASN A 66 7.195 -16.733 4.947 1.00 0.00 N ATOM 949 CA ASN A 66 6.419 -17.071 6.128 1.00 0.00 C ATOM 950 C ASN A 66 5.516 -15.891 6.494 1.00 0.00 C ATOM 951 O ASN A 66 4.464 -16.075 7.103 1.00 0.00 O ATOM 952 CB ASN A 66 7.330 -17.358 7.323 1.00 0.00 C ATOM 953 CG ASN A 66 7.267 -18.834 7.718 1.00 0.00 C ATOM 954 OD1 ASN A 66 7.244 -19.191 8.885 1.00 0.00 O ATOM 955 ND2 ASN A 66 7.240 -19.670 6.684 1.00 0.00 N ATOM 0 H ASN A 66 6.803 -15.981 4.380 1.00 0.00 H new ATOM 0 HA ASN A 66 5.831 -17.961 5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.357 -17.088 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.032 -16.738 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.197 -20.677 6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.262 -19.305 5.732 1.00 0.00 H new ATOM 962 N TRP A 67 5.961 -14.704 6.108 1.00 0.00 N ATOM 963 CA TRP A 67 5.207 -13.494 6.388 1.00 0.00 C ATOM 964 C TRP A 67 3.729 -13.787 6.125 1.00 0.00 C ATOM 965 O TRP A 67 3.398 -14.703 5.373 1.00 0.00 O ATOM 966 CB TRP A 67 5.738 -12.316 5.569 1.00 0.00 C ATOM 967 CG TRP A 67 7.063 -11.748 6.082 1.00 0.00 C ATOM 968 CD1 TRP A 67 8.140 -12.423 6.506 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.410 -10.353 6.207 1.00 0.00 C ATOM 970 NE1 TRP A 67 9.151 -11.568 6.895 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.693 -10.269 6.706 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.663 -9.199 5.907 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.343 -9.053 6.951 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.327 -7.992 6.157 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.619 -7.891 6.660 1.00 0.00 C ATOM 0 H TRP A 67 6.835 -14.555 5.603 1.00 0.00 H new ATOM 0 HA TRP A 67 5.323 -13.199 7.431 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.867 -12.635 4.535 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.991 -11.522 5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.208 -13.500 6.539 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.066 -11.839 7.255 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.657 -9.241 5.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.348 -9.014 7.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.798 -7.075 5.944 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.062 -6.920 6.826 1.00 0.00 H new ATOM 986 N GLN A 68 2.879 -12.993 6.759 1.00 0.00 N ATOM 987 CA GLN A 68 1.444 -13.155 6.603 1.00 0.00 C ATOM 988 C GLN A 68 0.752 -11.790 6.595 1.00 0.00 C ATOM 989 O GLN A 68 1.362 -10.780 6.943 1.00 0.00 O ATOM 990 CB GLN A 68 0.871 -14.054 7.701 1.00 0.00 C ATOM 991 CG GLN A 68 1.812 -15.223 7.999 1.00 0.00 C ATOM 992 CD GLN A 68 2.841 -14.840 9.066 1.00 0.00 C ATOM 993 OE1 GLN A 68 3.721 -14.023 8.851 1.00 0.00 O ATOM 994 NE2 GLN A 68 2.680 -15.474 10.224 1.00 0.00 N ATOM 0 H GLN A 68 3.157 -12.235 7.382 1.00 0.00 H new ATOM 0 HA GLN A 68 1.256 -13.641 5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.712 -13.470 8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.102 -14.435 7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.234 -16.083 8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.325 -15.524 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.921 -16.147 10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.315 -15.288 11.000 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.511 -11.804 6.195 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.291 -10.580 6.138 1.00 0.00 C ATOM 1005 C ILE A 69 -2.618 -10.792 6.870 1.00 0.00 C ATOM 1006 O ILE A 69 -3.394 -11.677 6.512 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.455 -10.117 4.689 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.209 -10.444 3.864 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -1.810 -8.630 4.626 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.344 -9.918 2.434 1.00 0.00 C ATOM 0 H ILE A 69 -1.013 -12.644 5.907 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.770 -9.771 6.650 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.286 -10.666 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.670 -10.004 4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.054 -11.523 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.921 -8.326 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.746 -8.457 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.016 -8.046 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.555 -10.164 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.209 -10.379 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.475 -8.836 2.455 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.838 -9.964 7.880 1.00 0.00 N ATOM 1023 CA ARG A 70 -4.058 -10.050 8.666 1.00 0.00 C ATOM 1024 C ARG A 70 -5.095 -9.052 8.145 1.00 0.00 C ATOM 1025 O ARG A 70 -4.773 -7.893 7.889 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.783 -9.764 10.143 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.820 -11.053 10.967 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.614 -10.760 12.454 1.00 0.00 C ATOM 1029 NE ARG A 70 -4.781 -11.236 13.231 1.00 0.00 N ATOM 1030 CZ ARG A 70 -5.219 -12.502 13.228 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -4.590 -13.427 12.491 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -6.286 -12.843 13.964 1.00 0.00 N ATOM 0 H ARG A 70 -2.193 -9.230 8.173 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.444 -11.065 8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.808 -9.288 10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.524 -9.062 10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.777 -11.555 10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.045 -11.735 10.617 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.707 -11.251 12.807 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.477 -9.689 12.607 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.283 -10.558 13.804 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.777 -13.167 11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.924 -14.391 12.489 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.764 -12.139 14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.620 -13.807 13.962 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.319 -9.539 8.005 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.406 -8.705 7.520 1.00 0.00 C ATOM 1048 C ARG A 71 -8.618 -8.820 8.447 1.00 0.00 C ATOM 1049 O ARG A 71 -9.178 -9.903 8.610 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.817 -9.106 6.102 1.00 0.00 C ATOM 1051 CG ARG A 71 -8.848 -8.129 5.533 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.473 -6.682 5.863 1.00 0.00 C ATOM 1053 NE ARG A 71 -9.403 -5.752 5.186 1.00 0.00 N ATOM 1054 CZ ARG A 71 -9.240 -5.308 3.932 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -8.183 -5.707 3.212 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -10.135 -4.465 3.398 1.00 0.00 N ATOM 0 H ARG A 71 -6.582 -10.501 8.219 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.052 -7.674 7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.938 -9.129 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.232 -10.114 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.915 -8.254 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.833 -8.355 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.509 -6.525 6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.450 -6.481 5.546 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.219 -5.429 5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.502 -6.349 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.059 -5.369 2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.940 -4.162 3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.011 -4.127 2.444 1.00 0.00 H new ATOM 1070 N GLN A 72 -8.987 -7.689 9.029 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.122 -7.649 9.935 1.00 0.00 C ATOM 1072 C GLN A 72 -11.124 -6.585 9.483 1.00 0.00 C ATOM 1073 O GLN A 72 -10.761 -5.426 9.291 1.00 0.00 O ATOM 1074 CB GLN A 72 -9.667 -7.398 11.374 1.00 0.00 C ATOM 1075 CG GLN A 72 -10.621 -8.054 12.373 1.00 0.00 C ATOM 1076 CD GLN A 72 -11.806 -7.137 12.683 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -11.694 -5.922 12.710 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -12.945 -7.784 12.916 1.00 0.00 N ATOM 0 H GLN A 72 -8.520 -6.793 8.891 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.616 -8.620 9.910 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.660 -7.792 11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.619 -6.325 11.562 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.984 -8.999 11.968 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.086 -8.286 13.294 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.970 -8.803 12.877 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.793 -7.261 13.133 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.367 -7.017 9.327 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.425 -6.116 8.901 1.00 0.00 C ATOM 1089 C ASN A 73 -14.591 -6.203 9.888 1.00 0.00 C ATOM 1090 O ASN A 73 -14.840 -7.259 10.469 1.00 0.00 O ATOM 1091 CB ASN A 73 -13.949 -6.498 7.515 1.00 0.00 C ATOM 1092 CG ASN A 73 -12.813 -6.539 6.491 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -11.751 -7.091 6.726 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -13.095 -5.926 5.346 1.00 0.00 N ATOM 0 H ASN A 73 -12.665 -7.979 9.488 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.015 -5.107 8.866 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.436 -7.472 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.704 -5.779 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.402 -5.898 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.005 -5.483 5.215 1.00 0.00 H new ATOM 1146 N LEU A 78 -11.771 -12.618 10.836 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.422 -12.149 10.569 1.00 0.00 C ATOM 1148 C LEU A 78 -9.690 -13.179 9.707 1.00 0.00 C ATOM 1149 O LEU A 78 -9.648 -14.360 10.046 1.00 0.00 O ATOM 1150 CB LEU A 78 -9.701 -11.818 11.877 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.687 -10.674 11.813 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -8.144 -10.344 13.205 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -7.567 -10.989 10.820 1.00 0.00 C ATOM 0 HA LEU A 78 -10.448 -11.218 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.450 -11.571 12.629 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.186 -12.715 12.222 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.199 -9.784 11.448 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.425 -9.528 13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.967 -10.046 13.855 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.653 -11.223 13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.860 -10.160 10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.050 -11.897 11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.992 -11.135 9.827 1.00 0.00 H new ATOM 1165 N MET A 79 -9.131 -12.693 8.608 1.00 0.00 N ATOM 1166 CA MET A 79 -8.402 -13.556 7.694 1.00 0.00 C ATOM 1167 C MET A 79 -6.892 -13.350 7.831 1.00 0.00 C ATOM 1168 O MET A 79 -6.437 -12.245 8.125 1.00 0.00 O ATOM 1169 CB MET A 79 -8.831 -13.256 6.257 1.00 0.00 C ATOM 1170 CG MET A 79 -10.339 -13.445 6.084 1.00 0.00 C ATOM 1171 SD MET A 79 -11.075 -11.941 5.465 1.00 0.00 S ATOM 1172 CE MET A 79 -9.967 -11.588 4.110 1.00 0.00 C ATOM 0 H MET A 79 -9.168 -11.712 8.330 1.00 0.00 H new ATOM 0 HA MET A 79 -8.631 -14.592 7.942 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.557 -12.233 5.998 1.00 0.00 H new ATOM 0 HB3 MET A 79 -8.297 -13.913 5.570 1.00 0.00 H new ATOM 0 HG2 MET A 79 -10.534 -14.266 5.394 1.00 0.00 H new ATOM 0 HG3 MET A 79 -10.792 -13.716 7.038 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.509 -11.061 3.325 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.146 -10.965 4.464 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.569 -12.522 3.713 1.00 0.00 H new ATOM 1182 N THR A 80 -6.157 -14.430 7.611 1.00 0.00 N ATOM 1183 CA THR A 80 -4.708 -14.381 7.706 1.00 0.00 C ATOM 1184 C THR A 80 -4.071 -15.026 6.474 1.00 0.00 C ATOM 1185 O THR A 80 -3.963 -16.249 6.394 1.00 0.00 O ATOM 1186 CB THR A 80 -4.298 -15.046 9.021 1.00 0.00 C ATOM 1187 OG1 THR A 80 -5.053 -14.353 10.011 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.842 -14.758 9.394 1.00 0.00 C ATOM 0 H THR A 80 -6.538 -15.344 7.367 1.00 0.00 H new ATOM 0 HA THR A 80 -4.347 -13.353 7.719 1.00 0.00 H new ATOM 0 HB THR A 80 -4.447 -16.123 8.945 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.510 -15.001 10.587 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.603 -15.253 10.335 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.185 -15.133 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.700 -13.683 9.503 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.665 -14.175 5.543 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.041 -14.647 4.318 1.00 0.00 C ATOM 1198 C TYR A 81 -1.538 -14.856 4.514 1.00 0.00 C ATOM 1199 O TYR A 81 -0.752 -13.922 4.359 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.260 -13.543 3.282 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.586 -13.813 1.934 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -3.132 -14.734 1.063 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -1.434 -13.136 1.591 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -2.498 -14.988 -0.205 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -0.801 -13.390 0.323 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.364 -14.303 -0.513 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.766 -14.543 -1.710 1.00 0.00 O ATOM 0 H TYR A 81 -3.756 -13.161 5.612 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.470 -15.600 4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.331 -13.416 3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.883 -12.602 3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.034 -15.264 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.007 -12.416 2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.914 -15.706 -0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.101 -12.867 0.042 1.00 0.00 H new ATOM 0 HH TYR A 81 0.033 -13.982 -1.795 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.183 -16.087 4.852 1.00 0.00 N ATOM 1218 CA ARG A 82 0.212 -16.430 5.070 1.00 0.00 C ATOM 1219 C ARG A 82 0.920 -16.648 3.732 1.00 0.00 C ATOM 1220 O ARG A 82 0.568 -17.554 2.979 1.00 0.00 O ATOM 1221 CB ARG A 82 0.340 -17.697 5.919 1.00 0.00 C ATOM 1222 CG ARG A 82 1.809 -18.027 6.191 1.00 0.00 C ATOM 1223 CD ARG A 82 2.022 -18.413 7.656 1.00 0.00 C ATOM 1224 NE ARG A 82 2.391 -19.843 7.755 1.00 0.00 N ATOM 1225 CZ ARG A 82 2.308 -20.565 8.881 1.00 0.00 C ATOM 1226 NH1 ARG A 82 1.869 -19.995 10.011 1.00 0.00 N ATOM 1227 NH2 ARG A 82 2.665 -21.856 8.876 1.00 0.00 N ATOM 0 H ARG A 82 -1.837 -16.859 4.980 1.00 0.00 H new ATOM 0 HA ARG A 82 0.679 -15.601 5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.187 -17.561 6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.135 -18.533 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.127 -18.846 5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.431 -17.166 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.807 -17.795 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.113 -18.223 8.226 1.00 0.00 H new ATOM 0 HE ARG A 82 2.730 -20.308 6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.598 -19.012 10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.806 -20.544 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.000 -22.289 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.602 -22.406 9.733 1.00 0.00 H new ATOM 1241 N PHE A 83 1.907 -15.801 3.477 1.00 0.00 N ATOM 1242 CA PHE A 83 2.668 -15.889 2.242 1.00 0.00 C ATOM 1243 C PHE A 83 3.422 -17.218 2.157 1.00 0.00 C ATOM 1244 O PHE A 83 3.550 -17.928 3.153 1.00 0.00 O ATOM 1245 CB PHE A 83 3.681 -14.742 2.258 1.00 0.00 C ATOM 1246 CG PHE A 83 3.114 -13.405 1.777 1.00 0.00 C ATOM 1247 CD1 PHE A 83 2.884 -13.202 0.452 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.841 -12.420 2.673 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.358 -11.961 0.005 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.315 -11.179 2.226 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.085 -10.976 0.901 1.00 0.00 C ATOM 0 H PHE A 83 2.197 -15.051 4.104 1.00 0.00 H new ATOM 0 HA PHE A 83 1.997 -15.827 1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.061 -14.620 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.530 -15.012 1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.101 -13.984 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.024 -12.581 3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.175 -11.800 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.098 -10.397 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.685 -10.032 0.561 1.00 0.00 H new ATOM 1261 N PRO A 84 3.914 -17.521 0.925 1.00 0.00 N ATOM 1262 CA PRO A 84 4.651 -18.752 0.697 1.00 0.00 C ATOM 1263 C PRO A 84 6.064 -18.660 1.277 1.00 0.00 C ATOM 1264 O PRO A 84 6.677 -17.594 1.262 1.00 0.00 O ATOM 1265 CB PRO A 84 4.639 -18.944 -0.811 1.00 0.00 C ATOM 1266 CG PRO A 84 4.303 -17.584 -1.401 1.00 0.00 C ATOM 1267 CD PRO A 84 3.781 -16.704 -0.277 1.00 0.00 C ATOM 0 HA PRO A 84 4.203 -19.610 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.607 -19.296 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.900 -19.690 -1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.186 -17.137 -1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.554 -17.683 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.357 -15.782 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.743 -16.417 -0.448 1.00 0.00 H new ATOM 1275 N PRO A 85 6.553 -19.823 1.787 1.00 0.00 N ATOM 1276 CA PRO A 85 7.882 -19.884 2.370 1.00 0.00 C ATOM 1277 C PRO A 85 8.959 -19.867 1.284 1.00 0.00 C ATOM 1278 O PRO A 85 10.085 -20.305 1.515 1.00 0.00 O ATOM 1279 CB PRO A 85 7.891 -21.160 3.196 1.00 0.00 C ATOM 1280 CG PRO A 85 6.736 -22.001 2.677 1.00 0.00 C ATOM 1281 CD PRO A 85 5.855 -21.105 1.821 1.00 0.00 C ATOM 0 HA PRO A 85 8.107 -19.019 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.838 -21.688 3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.768 -20.940 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.109 -22.842 2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.165 -22.418 3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.729 -21.514 0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.859 -21.002 2.251 1.00 0.00 H new ATOM 1289 N LYS A 86 8.575 -19.357 0.123 1.00 0.00 N ATOM 1290 CA LYS A 86 9.494 -19.278 -1.000 1.00 0.00 C ATOM 1291 C LYS A 86 9.311 -17.935 -1.710 1.00 0.00 C ATOM 1292 O LYS A 86 9.395 -17.860 -2.935 1.00 0.00 O ATOM 1293 CB LYS A 86 9.322 -20.489 -1.920 1.00 0.00 C ATOM 1294 CG LYS A 86 9.538 -21.795 -1.153 1.00 0.00 C ATOM 1295 CD LYS A 86 10.996 -21.936 -0.710 1.00 0.00 C ATOM 1296 CE LYS A 86 11.684 -23.086 -1.447 1.00 0.00 C ATOM 1297 NZ LYS A 86 12.480 -22.571 -2.584 1.00 0.00 N ATOM 0 H LYS A 86 7.640 -18.994 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 86 10.526 -19.316 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.323 -20.480 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.031 -20.427 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.885 -21.821 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.262 -22.641 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.530 -21.005 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.038 -22.112 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.331 -23.631 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.937 -23.792 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.940 -23.365 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.854 -22.071 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.205 -21.915 -2.231 1.00 0.00 H new ATOM 1311 N PHE A 87 9.064 -16.908 -0.910 1.00 0.00 N ATOM 1312 CA PHE A 87 8.868 -15.572 -1.446 1.00 0.00 C ATOM 1313 C PHE A 87 9.763 -14.558 -0.732 1.00 0.00 C ATOM 1314 O PHE A 87 9.943 -14.630 0.482 1.00 0.00 O ATOM 1315 CB PHE A 87 7.403 -15.203 -1.203 1.00 0.00 C ATOM 1316 CG PHE A 87 6.889 -14.074 -2.099 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.614 -14.318 -3.408 1.00 0.00 C ATOM 1318 CD2 PHE A 87 6.706 -12.828 -1.586 1.00 0.00 C ATOM 1319 CE1 PHE A 87 6.137 -13.271 -4.240 1.00 0.00 C ATOM 1320 CE2 PHE A 87 6.228 -11.781 -2.418 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.954 -12.025 -3.727 1.00 0.00 C ATOM 0 H PHE A 87 8.995 -16.974 0.106 1.00 0.00 H new ATOM 0 HA PHE A 87 9.121 -15.556 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.785 -16.087 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.281 -14.910 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.758 -15.308 -3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.924 -12.635 -0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.920 -13.464 -5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.082 -10.791 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.591 -11.229 -4.360 1.00 0.00 H new ATOM 1331 N THR A 88 10.301 -13.635 -1.517 1.00 0.00 N ATOM 1332 CA THR A 88 11.173 -12.607 -0.975 1.00 0.00 C ATOM 1333 C THR A 88 10.901 -11.264 -1.655 1.00 0.00 C ATOM 1334 O THR A 88 11.174 -11.100 -2.843 1.00 0.00 O ATOM 1335 CB THR A 88 12.619 -13.085 -1.128 1.00 0.00 C ATOM 1336 OG1 THR A 88 12.933 -13.652 0.141 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.606 -11.925 -1.273 1.00 0.00 C ATOM 0 H THR A 88 10.149 -13.578 -2.524 1.00 0.00 H new ATOM 0 HA THR A 88 10.980 -12.443 0.085 1.00 0.00 H new ATOM 0 HB THR A 88 12.696 -13.738 -1.997 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.130 -14.062 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.617 -12.319 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.351 -11.339 -2.156 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.554 -11.290 -0.388 1.00 0.00 H new ATOM 1345 N LEU A 89 10.367 -10.338 -0.872 1.00 0.00 N ATOM 1346 CA LEU A 89 10.056 -9.014 -1.384 1.00 0.00 C ATOM 1347 C LEU A 89 11.332 -8.172 -1.418 1.00 0.00 C ATOM 1348 O LEU A 89 11.714 -7.577 -0.411 1.00 0.00 O ATOM 1349 CB LEU A 89 8.921 -8.381 -0.576 1.00 0.00 C ATOM 1350 CG LEU A 89 8.581 -6.930 -0.922 1.00 0.00 C ATOM 1351 CD1 LEU A 89 7.927 -6.834 -2.302 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.716 -6.295 0.168 1.00 0.00 C ATOM 0 H LEU A 89 10.142 -10.478 0.113 1.00 0.00 H new ATOM 0 HA LEU A 89 9.690 -9.078 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.024 -8.986 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.183 -8.430 0.481 1.00 0.00 H new ATOM 0 HG LEU A 89 9.511 -6.363 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.695 -5.792 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.611 -7.222 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.008 -7.420 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.489 -5.264 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.787 -6.857 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.255 -6.311 1.115 1.00 0.00 H new ATOM 1364 N LYS A 90 11.957 -8.148 -2.586 1.00 0.00 N ATOM 1365 CA LYS A 90 13.183 -7.388 -2.763 1.00 0.00 C ATOM 1366 C LYS A 90 12.996 -5.985 -2.183 1.00 0.00 C ATOM 1367 O LYS A 90 11.894 -5.618 -1.777 1.00 0.00 O ATOM 1368 CB LYS A 90 13.609 -7.395 -4.233 1.00 0.00 C ATOM 1369 CG LYS A 90 13.906 -8.817 -4.711 1.00 0.00 C ATOM 1370 CD LYS A 90 15.195 -8.861 -5.534 1.00 0.00 C ATOM 1371 CE LYS A 90 16.421 -8.646 -4.644 1.00 0.00 C ATOM 1372 NZ LYS A 90 17.655 -8.612 -5.461 1.00 0.00 N ATOM 0 H LYS A 90 11.638 -8.642 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 90 14.003 -7.853 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.820 -6.959 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.494 -6.772 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.996 -9.482 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.074 -9.184 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.274 -9.822 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.163 -8.094 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.318 -7.712 -4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.488 -9.446 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.477 -8.465 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.760 -9.514 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.595 -7.833 -6.148 1.00 0.00 H new ATOM 1386 N ALA A 91 14.090 -5.237 -2.163 1.00 0.00 N ATOM 1387 CA ALA A 91 14.061 -3.882 -1.640 1.00 0.00 C ATOM 1388 C ALA A 91 13.549 -2.932 -2.725 1.00 0.00 C ATOM 1389 O ALA A 91 13.943 -3.038 -3.885 1.00 0.00 O ATOM 1390 CB ALA A 91 15.454 -3.498 -1.139 1.00 0.00 C ATOM 0 H ALA A 91 15.002 -5.544 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 91 13.379 -3.812 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.432 -2.481 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.759 -4.185 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.165 -3.554 -1.963 1.00 0.00 H new ATOM 1396 N GLY A 92 12.677 -2.025 -2.308 1.00 0.00 N ATOM 1397 CA GLY A 92 12.107 -1.057 -3.230 1.00 0.00 C ATOM 1398 C GLY A 92 11.091 -1.720 -4.163 1.00 0.00 C ATOM 1399 O GLY A 92 10.542 -1.070 -5.050 1.00 0.00 O ATOM 0 H GLY A 92 12.352 -1.940 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.623 -0.257 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.902 -0.599 -3.819 1.00 0.00 H new ATOM 1403 N GLN A 93 10.873 -3.006 -3.929 1.00 0.00 N ATOM 1404 CA GLN A 93 9.933 -3.764 -4.737 1.00 0.00 C ATOM 1405 C GLN A 93 8.519 -3.635 -4.167 1.00 0.00 C ATOM 1406 O GLN A 93 8.321 -3.017 -3.123 1.00 0.00 O ATOM 1407 CB GLN A 93 10.353 -5.232 -4.835 1.00 0.00 C ATOM 1408 CG GLN A 93 10.910 -5.551 -6.224 1.00 0.00 C ATOM 1409 CD GLN A 93 12.029 -4.580 -6.603 1.00 0.00 C ATOM 1410 OE1 GLN A 93 12.991 -4.479 -5.690 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 12.020 -3.962 -7.655 1.00 0.00 N flip ATOM 0 H GLN A 93 11.331 -3.542 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 93 9.936 -3.352 -5.746 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.107 -5.450 -4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.497 -5.874 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.289 -6.573 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.110 -5.495 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.250 -4.086 -8.313 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.782 -3.321 -7.877 1.00 0.00 H new ATOM 1420 N VAL A 94 7.572 -4.230 -4.879 1.00 0.00 N ATOM 1421 CA VAL A 94 6.182 -4.190 -4.457 1.00 0.00 C ATOM 1422 C VAL A 94 5.477 -5.466 -4.918 1.00 0.00 C ATOM 1423 O VAL A 94 5.760 -5.981 -5.999 1.00 0.00 O ATOM 1424 CB VAL A 94 5.514 -2.916 -4.978 1.00 0.00 C ATOM 1425 CG1 VAL A 94 4.127 -2.732 -4.360 1.00 0.00 C ATOM 1426 CG2 VAL A 94 6.395 -1.691 -4.724 1.00 0.00 C ATOM 0 H VAL A 94 7.740 -4.742 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 94 6.113 -4.156 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 94 5.389 -3.020 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.674 -1.819 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.499 -3.585 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.218 -2.660 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.897 -0.799 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.567 -1.582 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.350 -1.818 -5.234 1.00 0.00 H new ATOM 1436 N VAL A 95 4.571 -5.941 -4.075 1.00 0.00 N ATOM 1437 CA VAL A 95 3.823 -7.148 -4.383 1.00 0.00 C ATOM 1438 C VAL A 95 2.331 -6.885 -4.175 1.00 0.00 C ATOM 1439 O VAL A 95 1.943 -6.202 -3.228 1.00 0.00 O ATOM 1440 CB VAL A 95 4.347 -8.316 -3.545 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.392 -7.949 -2.060 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.507 -9.575 -3.773 1.00 0.00 C ATOM 0 H VAL A 95 4.338 -5.512 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 95 3.961 -7.427 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 95 5.366 -8.530 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.768 -8.797 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.051 -7.093 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.389 -7.696 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.901 -10.390 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.473 -9.379 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.548 -9.854 -4.826 1.00 0.00 H new ATOM 1452 N THR A 96 1.533 -7.440 -5.075 1.00 0.00 N ATOM 1453 CA THR A 96 0.091 -7.274 -5.002 1.00 0.00 C ATOM 1454 C THR A 96 -0.590 -8.624 -4.767 1.00 0.00 C ATOM 1455 O THR A 96 -0.262 -9.611 -5.423 1.00 0.00 O ATOM 1456 CB THR A 96 -0.370 -6.575 -6.283 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.407 -5.381 -6.325 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.814 -6.078 -6.191 1.00 0.00 C ATOM 0 H THR A 96 1.858 -8.006 -5.859 1.00 0.00 H new ATOM 0 HA THR A 96 -0.193 -6.650 -4.154 1.00 0.00 H new ATOM 0 HB THR A 96 -0.275 -7.260 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.173 -4.867 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.091 -5.590 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.479 -6.923 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.902 -5.366 -5.370 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.526 -8.623 -3.829 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.256 -9.835 -3.499 1.00 0.00 C ATOM 1468 C ILE A 97 -3.748 -9.611 -3.754 1.00 0.00 C ATOM 1469 O ILE A 97 -4.489 -9.247 -2.842 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.936 -10.281 -2.071 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.424 -10.350 -1.844 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.626 -11.607 -1.744 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.112 -9.019 -1.315 1.00 0.00 C ATOM 0 H ILE A 97 -1.795 -7.802 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.942 -10.657 -4.143 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.331 -9.534 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.195 -11.146 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.077 -10.602 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.382 -11.902 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.705 -11.489 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.282 -12.376 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.189 -9.095 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.097 -8.230 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.373 -8.782 -0.368 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.144 -9.838 -4.997 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.534 -9.666 -5.383 1.00 0.00 C ATOM 1487 C TRP A 98 -6.345 -10.797 -4.747 1.00 0.00 C ATOM 1488 O TRP A 98 -5.778 -11.765 -4.243 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.678 -9.611 -6.905 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.788 -8.564 -7.577 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.484 -8.657 -7.873 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -5.191 -7.253 -8.027 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -3.020 -7.507 -8.479 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -4.091 -6.627 -8.576 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.444 -6.619 -7.973 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -4.132 -5.334 -9.111 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.469 -5.327 -8.512 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -5.371 -4.682 -9.068 1.00 0.00 C ATOM 0 H TRP A 98 -3.526 -10.140 -5.751 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.920 -8.714 -5.019 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.442 -10.592 -7.318 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.718 -9.402 -7.154 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.873 -9.523 -7.664 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.066 -7.335 -8.797 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.318 -7.091 -7.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.256 -4.865 -9.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.408 -4.794 -8.494 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.472 -3.683 -9.465 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.660 -10.636 -4.789 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.554 -11.631 -4.223 1.00 0.00 C ATOM 1511 C ALA A 99 -9.215 -12.420 -5.355 1.00 0.00 C ATOM 1512 O ALA A 99 -9.500 -11.868 -6.417 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.577 -10.942 -3.318 1.00 0.00 C ATOM 0 H ALA A 99 -8.127 -9.831 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.999 -12.340 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.248 -11.689 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.058 -10.421 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.155 -10.225 -3.902 1.00 0.00 H new ATOM 1519 N SER A 100 -9.439 -13.699 -5.090 1.00 0.00 N ATOM 1520 CA SER A 100 -10.061 -14.569 -6.074 1.00 0.00 C ATOM 1521 C SER A 100 -11.152 -13.808 -6.830 1.00 0.00 C ATOM 1522 O SER A 100 -11.231 -13.883 -8.055 1.00 0.00 O ATOM 1523 CB SER A 100 -10.646 -15.818 -5.412 1.00 0.00 C ATOM 1524 OG SER A 100 -11.639 -16.437 -6.225 1.00 0.00 O ATOM 0 H SER A 100 -9.201 -14.154 -4.208 1.00 0.00 H new ATOM 0 HA SER A 100 -9.295 -14.890 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.846 -16.530 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.081 -15.548 -4.450 1.00 0.00 H new ATOM 0 HG SER A 100 -11.987 -17.231 -5.769 1.00 0.00 H new ATOM 1530 N GLY A 101 -11.967 -13.093 -6.068 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.050 -12.320 -6.651 1.00 0.00 C ATOM 1532 C GLY A 101 -12.714 -10.827 -6.661 1.00 0.00 C ATOM 1533 O GLY A 101 -13.261 -10.059 -5.871 1.00 0.00 O ATOM 0 H GLY A 101 -11.899 -13.033 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.238 -12.661 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.966 -12.486 -6.085 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.816 -10.461 -7.564 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.401 -9.074 -7.687 1.00 0.00 C ATOM 1539 C ALA A 102 -10.958 -8.804 -9.126 1.00 0.00 C ATOM 1540 O ALA A 102 -10.188 -7.879 -9.379 1.00 0.00 O ATOM 1541 CB ALA A 102 -10.295 -8.780 -6.671 1.00 0.00 C ATOM 0 H ALA A 102 -11.364 -11.101 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.232 -8.404 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.984 -7.740 -6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.670 -8.959 -5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.443 -9.432 -6.862 1.00 0.00 H new ATOM 1547 N GLY A 103 -11.463 -9.629 -10.031 1.00 0.00 N ATOM 1548 CA GLY A 103 -11.129 -9.492 -11.439 1.00 0.00 C ATOM 1549 C GLY A 103 -9.641 -9.183 -11.621 1.00 0.00 C ATOM 1550 O GLY A 103 -9.275 -8.334 -12.433 1.00 0.00 O ATOM 0 H GLY A 103 -12.101 -10.395 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.381 -10.412 -11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.727 -8.696 -11.883 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.824 -9.888 -10.853 1.00 0.00 N ATOM 1555 CA ALA A 104 -7.385 -9.700 -10.920 1.00 0.00 C ATOM 1556 C ALA A 104 -6.780 -10.753 -11.851 1.00 0.00 C ATOM 1557 O ALA A 104 -7.505 -11.542 -12.455 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.796 -9.761 -9.509 1.00 0.00 C ATOM 0 H ALA A 104 -9.131 -10.591 -10.181 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.145 -8.720 -11.331 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.716 -9.620 -9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.237 -8.974 -8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.015 -10.732 -9.065 1.00 0.00 H new ATOM 1564 N THR A 105 -5.458 -10.731 -11.937 1.00 0.00 N ATOM 1565 CA THR A 105 -4.747 -11.673 -12.784 1.00 0.00 C ATOM 1566 C THR A 105 -3.449 -12.122 -12.110 1.00 0.00 C ATOM 1567 O THR A 105 -2.525 -11.327 -11.943 1.00 0.00 O ATOM 1568 CB THR A 105 -4.528 -11.013 -14.146 1.00 0.00 C ATOM 1569 OG1 THR A 105 -5.599 -11.506 -14.947 1.00 0.00 O ATOM 1570 CG2 THR A 105 -3.270 -11.526 -14.850 1.00 0.00 C ATOM 0 H THR A 105 -4.861 -10.075 -11.434 1.00 0.00 H new ATOM 0 HA THR A 105 -5.328 -12.583 -12.938 1.00 0.00 H new ATOM 0 HB THR A 105 -4.458 -9.933 -14.018 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.416 -11.551 -14.408 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.162 -11.025 -15.812 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.397 -11.318 -14.232 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.354 -12.601 -15.008 1.00 0.00 H new ATOM 1578 N HIS A 106 -3.420 -13.394 -11.740 1.00 0.00 N ATOM 1579 CA HIS A 106 -2.251 -13.958 -11.088 1.00 0.00 C ATOM 1580 C HIS A 106 -1.005 -13.667 -11.928 1.00 0.00 C ATOM 1581 O HIS A 106 -0.833 -14.231 -13.007 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.447 -15.451 -10.816 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.627 -15.977 -9.663 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.496 -15.298 -8.464 1.00 0.00 N ATOM 1585 CD2 HIS A 106 -0.900 -17.124 -9.537 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.722 -16.012 -7.661 1.00 0.00 C ATOM 1587 NE2 HIS A 106 -0.353 -17.143 -8.327 1.00 0.00 N ATOM 0 H HIS A 106 -4.188 -14.050 -11.880 1.00 0.00 H new ATOM 0 HA HIS A 106 -2.110 -13.487 -10.115 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.502 -15.638 -10.614 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -2.191 -16.011 -11.716 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.788 -17.887 -10.293 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.434 -15.745 -6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.245 -17.882 -7.957 1.00 0.00 H new ATOM 1595 N SER A 107 -0.168 -12.786 -11.400 1.00 0.00 N ATOM 1596 CA SER A 107 1.057 -12.413 -12.087 1.00 0.00 C ATOM 1597 C SER A 107 2.200 -12.270 -11.079 1.00 0.00 C ATOM 1598 O SER A 107 2.710 -11.171 -10.866 1.00 0.00 O ATOM 1599 CB SER A 107 0.875 -11.112 -12.871 1.00 0.00 C ATOM 1600 OG SER A 107 1.091 -11.295 -14.267 1.00 0.00 O ATOM 0 H SER A 107 -0.314 -12.320 -10.505 1.00 0.00 H new ATOM 0 HA SER A 107 1.304 -13.202 -12.797 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.132 -10.728 -12.707 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.568 -10.361 -12.492 1.00 0.00 H new ATOM 0 HG SER A 107 0.964 -10.442 -14.732 1.00 0.00 H new ATOM 1606 N PRO A 108 2.577 -13.426 -10.470 1.00 0.00 N ATOM 1607 CA PRO A 108 3.650 -13.439 -9.490 1.00 0.00 C ATOM 1608 C PRO A 108 5.015 -13.311 -10.170 1.00 0.00 C ATOM 1609 O PRO A 108 5.116 -13.413 -11.391 1.00 0.00 O ATOM 1610 CB PRO A 108 3.481 -14.751 -8.741 1.00 0.00 C ATOM 1611 CG PRO A 108 2.614 -15.630 -9.628 1.00 0.00 C ATOM 1612 CD PRO A 108 1.995 -14.745 -10.698 1.00 0.00 C ATOM 0 HA PRO A 108 3.603 -12.594 -8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.447 -15.220 -8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.010 -14.589 -7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.211 -16.419 -10.084 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.837 -16.118 -9.039 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.226 -15.112 -11.698 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.909 -14.719 -10.611 1.00 0.00 H new ATOM 1620 N PRO A 109 6.057 -13.082 -9.326 1.00 0.00 N ATOM 1621 CA PRO A 109 5.850 -12.974 -7.892 1.00 0.00 C ATOM 1622 C PRO A 109 5.216 -11.630 -7.529 1.00 0.00 C ATOM 1623 O PRO A 109 4.781 -11.430 -6.396 1.00 0.00 O ATOM 1624 CB PRO A 109 7.228 -13.166 -7.280 1.00 0.00 C ATOM 1625 CG PRO A 109 8.221 -12.911 -8.402 1.00 0.00 C ATOM 1626 CD PRO A 109 7.455 -12.921 -9.714 1.00 0.00 C ATOM 0 HA PRO A 109 5.152 -13.719 -7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.388 -12.475 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.341 -14.174 -6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.721 -11.953 -8.259 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.996 -13.677 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.608 -11.995 -10.269 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.784 -13.737 -10.358 1.00 0.00 H new ATOM 1634 N THR A 110 5.185 -10.742 -8.513 1.00 0.00 N ATOM 1635 CA THR A 110 4.612 -9.422 -8.311 1.00 0.00 C ATOM 1636 C THR A 110 3.140 -9.535 -7.907 1.00 0.00 C ATOM 1637 O THR A 110 2.817 -9.530 -6.720 1.00 0.00 O ATOM 1638 CB THR A 110 4.830 -8.612 -9.590 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.320 -9.450 -10.624 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.312 -8.452 -9.937 1.00 0.00 C ATOM 0 H THR A 110 5.547 -10.911 -9.451 1.00 0.00 H new ATOM 0 HA THR A 110 5.103 -8.899 -7.490 1.00 0.00 H new ATOM 0 HB THR A 110 4.375 -7.628 -9.477 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.017 -10.298 -10.238 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.410 -7.869 -10.853 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.823 -7.937 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.760 -9.435 -10.082 1.00 0.00 H new ATOM 1648 N ASP A 111 2.288 -9.635 -8.917 1.00 0.00 N ATOM 1649 CA ASP A 111 0.859 -9.749 -8.682 1.00 0.00 C ATOM 1650 C ASP A 111 0.540 -11.160 -8.185 1.00 0.00 C ATOM 1651 O ASP A 111 1.195 -12.124 -8.579 1.00 0.00 O ATOM 1652 CB ASP A 111 0.068 -9.511 -9.970 1.00 0.00 C ATOM 1653 CG ASP A 111 -0.218 -8.043 -10.291 1.00 0.00 C ATOM 1654 OD1 ASP A 111 0.363 -7.185 -9.591 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -1.012 -7.811 -11.228 1.00 0.00 O ATOM 0 H ASP A 111 2.560 -9.639 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 111 0.578 -8.999 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.618 -9.949 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.881 -10.043 -9.900 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.467 -11.238 -7.327 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.881 -12.515 -6.772 1.00 0.00 C ATOM 1662 C LEU A 112 -2.408 -12.561 -6.694 1.00 0.00 C ATOM 1663 O LEU A 112 -3.067 -11.523 -6.738 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.189 -12.766 -5.430 1.00 0.00 C ATOM 1665 CG LEU A 112 1.301 -13.106 -5.497 1.00 0.00 C ATOM 1666 CD1 LEU A 112 1.996 -12.786 -4.173 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.513 -14.561 -5.919 1.00 0.00 C ATOM 0 H LEU A 112 -1.008 -10.437 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.570 -13.332 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.311 -11.878 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.705 -13.582 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 112 1.760 -12.479 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.054 -13.037 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.890 -11.724 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.540 -13.369 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.581 -14.776 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.036 -15.223 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.073 -14.722 -6.903 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.927 -13.775 -6.580 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.364 -13.970 -6.496 1.00 0.00 C ATOM 1681 C VAL A 113 -4.686 -14.847 -5.285 1.00 0.00 C ATOM 1682 O VAL A 113 -4.106 -15.920 -5.119 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.891 -14.550 -7.811 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.333 -15.037 -7.655 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.777 -13.529 -8.945 1.00 0.00 C ATOM 0 H VAL A 113 -2.377 -14.634 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.871 -13.016 -6.350 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.273 -15.409 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.684 -15.444 -8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.375 -15.812 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.969 -14.202 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.158 -13.966 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.360 -12.642 -8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.732 -13.250 -9.080 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.608 -14.359 -4.469 1.00 0.00 N ATOM 1696 CA TRP A 114 -6.013 -15.085 -3.277 1.00 0.00 C ATOM 1697 C TRP A 114 -7.136 -16.048 -3.669 1.00 0.00 C ATOM 1698 O TRP A 114 -8.259 -15.622 -3.934 1.00 0.00 O ATOM 1699 CB TRP A 114 -6.415 -14.122 -2.158 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.366 -14.739 -0.759 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -6.067 -16.001 -0.424 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.639 -14.064 0.488 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -6.126 -16.189 0.942 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.485 -14.974 1.514 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -7.003 -12.730 0.740 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.675 -14.648 2.862 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -7.189 -12.420 2.092 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -7.039 -13.324 3.137 1.00 0.00 C ATOM 0 H TRP A 114 -6.087 -13.469 -4.610 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.181 -15.664 -2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.755 -13.255 -2.185 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.425 -13.760 -2.349 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.812 -16.774 -1.134 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.940 -17.059 1.440 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -7.129 -12.002 -0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.548 -15.378 3.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.469 -11.407 2.341 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.202 -13.007 4.156 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.793 -17.327 -3.694 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.758 -18.354 -4.049 1.00 0.00 C ATOM 1721 C LYS A 115 -8.498 -18.809 -2.790 1.00 0.00 C ATOM 1722 O LYS A 115 -9.691 -19.106 -2.840 1.00 0.00 O ATOM 1723 CB LYS A 115 -7.073 -19.494 -4.806 1.00 0.00 C ATOM 1724 CG LYS A 115 -6.933 -19.159 -6.293 1.00 0.00 C ATOM 1725 CD LYS A 115 -5.478 -19.283 -6.748 1.00 0.00 C ATOM 1726 CE LYS A 115 -5.366 -20.166 -7.992 1.00 0.00 C ATOM 1727 NZ LYS A 115 -4.075 -20.890 -8.000 1.00 0.00 N ATOM 0 H LYS A 115 -5.860 -17.676 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.507 -17.954 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.088 -19.680 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.650 -20.411 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.560 -19.829 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.290 -18.146 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.075 -18.293 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.876 -19.705 -5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.190 -20.879 -8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.451 -19.553 -8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.016 -21.485 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.293 -20.205 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.008 -21.490 -7.153 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.760 -18.851 -1.691 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.332 -19.265 -0.421 1.00 0.00 C ATOM 1743 C ALA A 116 -9.555 -18.400 -0.110 1.00 0.00 C ATOM 1744 O ALA A 116 -10.615 -18.919 0.236 1.00 0.00 O ATOM 1745 CB ALA A 116 -7.264 -19.180 0.672 1.00 0.00 C ATOM 0 H ALA A 116 -6.771 -18.605 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.666 -20.301 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.693 -19.490 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.431 -19.835 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.907 -18.153 0.752 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.367 -17.096 -0.246 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.441 -16.153 0.015 1.00 0.00 C ATOM 1753 C GLN A 117 -11.081 -15.700 -1.299 1.00 0.00 C ATOM 1754 O GLN A 117 -10.592 -16.030 -2.378 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.936 -14.955 0.821 1.00 0.00 C ATOM 1756 CG GLN A 117 -10.534 -14.950 2.230 1.00 0.00 C ATOM 1757 CD GLN A 117 -12.042 -14.696 2.184 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -12.852 -15.607 2.226 1.00 0.00 O ATOM 1759 NE2 GLN A 117 -12.371 -13.410 2.098 1.00 0.00 N ATOM 0 H GLN A 117 -8.486 -16.670 -0.534 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.202 -16.656 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.848 -14.987 0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.198 -14.030 0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.337 -15.906 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.050 -14.181 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.641 -12.698 2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.353 -13.136 2.063 1.00 0.00 H new ATOM 1768 N ASN A 118 -12.166 -14.951 -1.164 1.00 0.00 N ATOM 1769 CA ASN A 118 -12.878 -14.449 -2.327 1.00 0.00 C ATOM 1770 C ASN A 118 -12.752 -12.925 -2.378 1.00 0.00 C ATOM 1771 O ASN A 118 -12.947 -12.317 -3.429 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.365 -14.798 -2.255 1.00 0.00 C ATOM 1773 CG ASN A 118 -15.048 -14.058 -1.103 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -14.808 -14.584 0.095 1.00 0.00 O flip ATOM 1775 ND2 ASN A 118 -15.746 -13.075 -1.289 1.00 0.00 N flip ATOM 0 H ASN A 118 -12.569 -14.680 -0.267 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.442 -14.909 -3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -14.849 -14.538 -3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.484 -15.873 -2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -15.889 -12.723 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -16.186 -12.605 -0.498 1.00 0.00 H new ATOM 1782 N THR A 119 -12.426 -12.351 -1.229 1.00 0.00 N ATOM 1783 CA THR A 119 -12.272 -10.910 -1.129 1.00 0.00 C ATOM 1784 C THR A 119 -11.415 -10.548 0.085 1.00 0.00 C ATOM 1785 O THR A 119 -11.168 -11.389 0.948 1.00 0.00 O ATOM 1786 CB THR A 119 -13.669 -10.286 -1.095 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.423 -8.883 -1.100 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.388 -10.534 0.232 1.00 0.00 C ATOM 0 H THR A 119 -12.264 -12.858 -0.359 1.00 0.00 H new ATOM 0 HA THR A 119 -11.742 -10.508 -1.993 1.00 0.00 H new ATOM 0 HB THR A 119 -14.267 -10.689 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.725 -8.676 -1.756 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.374 -10.071 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.496 -11.607 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.807 -10.102 1.047 1.00 0.00 H new ATOM 1796 N TRP A 120 -10.986 -9.294 0.114 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.162 -8.811 1.209 1.00 0.00 C ATOM 1798 C TRP A 120 -11.082 -8.149 2.237 1.00 0.00 C ATOM 1799 O TRP A 120 -10.704 -7.165 2.871 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.066 -7.874 0.697 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.795 -8.594 0.240 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.396 -8.847 -1.014 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.768 -9.148 1.089 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.191 -9.520 -1.035 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.797 -9.709 0.284 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.662 -9.174 2.491 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.652 -10.336 0.789 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.512 -9.805 2.979 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.525 -10.374 2.182 1.00 0.00 C ATOM 0 H TRP A 120 -11.194 -8.599 -0.603 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.638 -9.636 1.691 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.460 -7.291 -0.135 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -8.808 -7.168 1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -7.948 -8.560 -1.897 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.683 -9.823 -1.866 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.409 -8.741 3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.906 -10.768 0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.382 -9.853 4.050 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.665 -10.843 2.636 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.273 -8.715 2.369 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.250 -8.192 3.308 1.00 0.00 C ATOM 1822 C GLY A 121 -13.742 -6.809 2.875 1.00 0.00 C ATOM 1823 O GLY A 121 -12.984 -6.028 2.302 1.00 0.00 O ATOM 0 H GLY A 121 -12.583 -9.531 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.095 -8.877 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.807 -8.129 4.302 1.00 0.00 H new ATOM 1827 N CYS A 122 -15.009 -6.550 3.165 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.611 -5.275 2.813 1.00 0.00 C ATOM 1829 C CYS A 122 -16.286 -4.702 4.060 1.00 0.00 C ATOM 1830 O CYS A 122 -16.177 -5.270 5.146 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.592 -5.417 1.647 1.00 0.00 C ATOM 1832 SG CYS A 122 -17.518 -6.988 1.795 1.00 0.00 S ATOM 0 H CYS A 122 -15.635 -7.201 3.639 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.838 -4.586 2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -17.285 -4.576 1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -16.051 -5.392 0.701 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.349 -7.097 0.801 1.00 0.00 H new ATOM 1838 N GLY A 123 -16.967 -3.583 3.863 1.00 0.00 N ATOM 1839 CA GLY A 123 -17.660 -2.926 4.959 1.00 0.00 C ATOM 1840 C GLY A 123 -17.113 -1.515 5.185 1.00 0.00 C ATOM 1841 O GLY A 123 -15.986 -1.212 4.796 1.00 0.00 O ATOM 0 H GLY A 123 -17.054 -3.114 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.727 -2.876 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.547 -3.514 5.870 1.00 0.00 H new ATOM 1845 N SER A 124 -17.937 -0.689 5.814 1.00 0.00 N ATOM 1846 CA SER A 124 -17.551 0.683 6.096 1.00 0.00 C ATOM 1847 C SER A 124 -16.246 0.705 6.895 1.00 0.00 C ATOM 1848 O SER A 124 -15.314 1.430 6.549 1.00 0.00 O ATOM 1849 CB SER A 124 -18.653 1.420 6.860 1.00 0.00 C ATOM 1850 OG SER A 124 -19.236 0.605 7.873 1.00 0.00 O ATOM 0 H SER A 124 -18.871 -0.944 6.136 1.00 0.00 H new ATOM 0 HA SER A 124 -17.398 1.197 5.147 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.240 2.321 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.427 1.740 6.162 1.00 0.00 H new ATOM 0 HG SER A 124 -19.934 1.111 8.339 1.00 0.00 H new ATOM 1856 N SER A 125 -16.220 -0.099 7.948 1.00 0.00 N ATOM 1857 CA SER A 125 -15.045 -0.181 8.798 1.00 0.00 C ATOM 1858 C SER A 125 -14.151 -1.337 8.346 1.00 0.00 C ATOM 1859 O SER A 125 -14.605 -2.476 8.248 1.00 0.00 O ATOM 1860 CB SER A 125 -15.438 -0.357 10.266 1.00 0.00 C ATOM 1861 OG SER A 125 -16.503 0.513 10.642 1.00 0.00 O ATOM 0 H SER A 125 -16.994 -0.699 8.232 1.00 0.00 H new ATOM 0 HA SER A 125 -14.492 0.754 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 125 -15.736 -1.391 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.572 -0.164 10.899 1.00 0.00 H new ATOM 0 HG SER A 125 -16.726 0.369 11.585 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.896 -1.004 8.081 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.934 -2.000 7.641 1.00 0.00 C ATOM 1869 C LEU A 126 -10.629 -1.822 8.419 1.00 0.00 C ATOM 1870 O LEU A 126 -10.339 -0.732 8.909 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.758 -1.941 6.122 1.00 0.00 C ATOM 1872 CG LEU A 126 -13.037 -1.741 5.306 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.775 -0.858 4.084 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.656 -3.086 4.919 1.00 0.00 C ATOM 0 H LEU A 126 -12.523 -0.058 8.163 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.300 -3.004 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.070 -1.129 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.283 -2.866 5.795 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.763 -1.220 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.700 -0.732 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.413 0.117 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.025 -1.329 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.564 -2.916 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.945 -3.655 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.901 -3.647 5.821 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.877 -2.909 8.508 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.609 -2.886 9.218 1.00 0.00 C ATOM 1888 C ARG A 127 -7.684 -3.983 8.688 1.00 0.00 C ATOM 1889 O ARG A 127 -8.043 -5.159 8.693 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.816 -3.085 10.721 1.00 0.00 C ATOM 1891 CG ARG A 127 -7.583 -2.638 11.508 1.00 0.00 C ATOM 1892 CD ARG A 127 -7.226 -3.657 12.593 1.00 0.00 C ATOM 1893 NE ARG A 127 -6.961 -2.962 13.872 1.00 0.00 N ATOM 1894 CZ ARG A 127 -7.911 -2.404 14.635 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -9.194 -2.457 14.253 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -7.578 -1.794 15.781 1.00 0.00 N ATOM 0 H ARG A 127 -10.121 -3.812 8.100 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.153 -1.910 9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.687 -2.518 11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -9.023 -4.135 10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.739 -2.513 10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.771 -1.666 11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -8.042 -4.368 12.718 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.348 -4.229 12.292 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.995 -2.904 14.193 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -9.448 -2.922 13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -9.917 -2.032 14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -6.601 -1.754 16.073 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -8.301 -1.369 16.362 1.00 0.00 H new ATOM 1910 N THR A 128 -6.510 -3.559 8.243 1.00 0.00 N ATOM 1911 CA THR A 128 -5.531 -4.490 7.710 1.00 0.00 C ATOM 1912 C THR A 128 -4.242 -4.437 8.533 1.00 0.00 C ATOM 1913 O THR A 128 -3.931 -3.414 9.140 1.00 0.00 O ATOM 1914 CB THR A 128 -5.322 -4.162 6.230 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.576 -4.465 5.627 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.340 -5.119 5.551 1.00 0.00 C ATOM 0 H THR A 128 -6.215 -2.583 8.241 1.00 0.00 H new ATOM 0 HA THR A 128 -5.883 -5.519 7.782 1.00 0.00 H new ATOM 0 HB THR A 128 -4.957 -3.139 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.866 -3.707 5.077 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.228 -4.842 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.372 -5.059 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.720 -6.138 5.618 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.527 -5.552 8.525 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.278 -5.645 9.263 1.00 0.00 C ATOM 1926 C ALA A 129 -1.371 -6.679 8.593 1.00 0.00 C ATOM 1927 O ALA A 129 -1.845 -7.542 7.857 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.573 -5.989 10.725 1.00 0.00 C ATOM 0 H ALA A 129 -3.788 -6.399 8.020 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.754 -4.689 9.252 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.637 -6.059 11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.196 -5.210 11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.096 -6.944 10.776 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.081 -6.556 8.872 1.00 0.00 N ATOM 1935 CA LEU A 130 0.897 -7.469 8.306 1.00 0.00 C ATOM 1936 C LEU A 130 1.667 -8.152 9.438 1.00 0.00 C ATOM 1937 O LEU A 130 2.169 -7.486 10.342 1.00 0.00 O ATOM 1938 CB LEU A 130 1.795 -6.738 7.305 1.00 0.00 C ATOM 1939 CG LEU A 130 2.866 -7.589 6.619 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.271 -8.385 5.456 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.051 -6.727 6.178 1.00 0.00 C ATOM 0 H LEU A 130 0.309 -5.838 9.482 1.00 0.00 H new ATOM 0 HA LEU A 130 0.400 -8.256 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.163 -6.296 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.289 -5.916 7.823 1.00 0.00 H new ATOM 0 HG LEU A 130 3.245 -8.311 7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.053 -8.981 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.487 -9.044 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.848 -7.698 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.798 -7.356 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.707 -5.967 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.494 -6.244 7.049 1.00 0.00 H new ATOM 1953 N ILE A 131 1.735 -9.472 9.352 1.00 0.00 N ATOM 1954 CA ILE A 131 2.434 -10.253 10.358 1.00 0.00 C ATOM 1955 C ILE A 131 3.664 -10.907 9.725 1.00 0.00 C ATOM 1956 O ILE A 131 3.545 -11.650 8.752 1.00 0.00 O ATOM 1957 CB ILE A 131 1.481 -11.249 11.022 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.181 -10.563 11.448 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.162 -11.963 12.191 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.469 -9.305 12.270 1.00 0.00 C ATOM 0 H ILE A 131 1.317 -10.021 8.601 1.00 0.00 H new ATOM 0 HA ILE A 131 2.792 -9.608 11.160 1.00 0.00 H new ATOM 0 HB ILE A 131 1.218 -12.011 10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.402 -10.299 10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.424 -11.254 12.034 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.463 -12.665 12.645 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.036 -12.504 11.828 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.473 -11.229 12.934 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.472 -8.837 12.560 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.031 -9.575 13.164 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.053 -8.606 11.672 1.00 0.00 H new ATOM 1972 N ASN A 132 4.818 -10.607 10.303 1.00 0.00 N ATOM 1973 CA ASN A 132 6.069 -11.156 9.808 1.00 0.00 C ATOM 1974 C ASN A 132 6.171 -12.627 10.217 1.00 0.00 C ATOM 1975 O ASN A 132 5.228 -13.188 10.772 1.00 0.00 O ATOM 1976 CB ASN A 132 7.269 -10.416 10.402 1.00 0.00 C ATOM 1977 CG ASN A 132 7.337 -10.610 11.918 1.00 0.00 C ATOM 1978 OD1 ASN A 132 7.915 -11.558 12.423 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.718 -9.660 12.613 1.00 0.00 N ATOM 0 H ASN A 132 4.913 -9.990 11.110 1.00 0.00 H new ATOM 0 HA ASN A 132 6.080 -11.047 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.189 -10.780 9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.196 -9.353 10.171 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.708 -9.698 13.632 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.253 -8.893 12.127 1.00 0.00 H new ATOM 1986 N SER A 133 7.325 -13.210 9.926 1.00 0.00 N ATOM 1987 CA SER A 133 7.564 -14.605 10.256 1.00 0.00 C ATOM 1988 C SER A 133 6.871 -14.956 11.574 1.00 0.00 C ATOM 1989 O SER A 133 5.997 -15.821 11.609 1.00 0.00 O ATOM 1990 CB SER A 133 9.062 -14.901 10.348 1.00 0.00 C ATOM 1991 OG SER A 133 9.522 -14.913 11.696 1.00 0.00 O ATOM 0 H SER A 133 8.105 -12.741 9.465 1.00 0.00 H new ATOM 0 HA SER A 133 7.149 -15.221 9.459 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.270 -15.866 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.615 -14.151 9.783 1.00 0.00 H new ATOM 0 HG SER A 133 10.214 -14.229 11.812 1.00 0.00 H new ATOM 1997 N THR A 134 7.288 -14.268 12.627 1.00 0.00 N ATOM 1998 CA THR A 134 6.719 -14.496 13.944 1.00 0.00 C ATOM 1999 C THR A 134 5.344 -13.835 14.053 1.00 0.00 C ATOM 2000 O THR A 134 5.020 -12.936 13.279 1.00 0.00 O ATOM 2001 CB THR A 134 7.720 -13.992 14.985 1.00 0.00 C ATOM 2002 OG1 THR A 134 7.766 -12.584 14.770 1.00 0.00 O ATOM 2003 CG2 THR A 134 9.149 -14.459 14.699 1.00 0.00 C ATOM 0 H THR A 134 8.014 -13.552 12.594 1.00 0.00 H new ATOM 0 HA THR A 134 6.549 -15.558 14.123 1.00 0.00 H new ATOM 0 HB THR A 134 7.417 -14.335 15.974 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.428 -12.379 13.873 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.819 -14.073 15.468 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.183 -15.548 14.701 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.465 -14.088 13.724 1.00 0.00 H new ATOM 2011 N GLY A 135 4.571 -14.307 15.020 1.00 0.00 N ATOM 2012 CA GLY A 135 3.238 -13.772 15.241 1.00 0.00 C ATOM 2013 C GLY A 135 3.302 -12.336 15.764 1.00 0.00 C ATOM 2014 O GLY A 135 2.808 -12.045 16.852 1.00 0.00 O ATOM 0 H GLY A 135 4.842 -15.054 15.659 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.673 -13.798 14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.705 -14.399 15.955 1.00 0.00 H new ATOM 2018 N GLU A 136 3.916 -11.476 14.964 1.00 0.00 N ATOM 2019 CA GLU A 136 4.052 -10.077 15.333 1.00 0.00 C ATOM 2020 C GLU A 136 3.764 -9.180 14.127 1.00 0.00 C ATOM 2021 O GLU A 136 4.162 -9.495 13.006 1.00 0.00 O ATOM 2022 CB GLU A 136 5.441 -9.794 15.908 1.00 0.00 C ATOM 2023 CG GLU A 136 5.795 -8.311 15.780 1.00 0.00 C ATOM 2024 CD GLU A 136 7.016 -7.963 16.635 1.00 0.00 C ATOM 2025 OE1 GLU A 136 8.094 -8.522 16.337 1.00 0.00 O ATOM 2026 OE2 GLU A 136 6.844 -7.147 17.565 1.00 0.00 O ATOM 0 H GLU A 136 4.325 -11.721 14.062 1.00 0.00 H new ATOM 0 HA GLU A 136 3.321 -9.853 16.110 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.472 -10.090 16.957 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.185 -10.396 15.385 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.997 -8.070 14.736 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.945 -7.703 16.089 1.00 0.00 H new ATOM 2033 N GLU A 137 3.076 -8.081 14.398 1.00 0.00 N ATOM 2034 CA GLU A 137 2.731 -7.136 13.349 1.00 0.00 C ATOM 2035 C GLU A 137 3.894 -6.174 13.097 1.00 0.00 C ATOM 2036 O GLU A 137 4.609 -5.802 14.027 1.00 0.00 O ATOM 2037 CB GLU A 137 1.453 -6.371 13.699 1.00 0.00 C ATOM 2038 CG GLU A 137 1.095 -5.370 12.599 1.00 0.00 C ATOM 2039 CD GLU A 137 0.052 -4.364 13.092 1.00 0.00 C ATOM 2040 OE1 GLU A 137 -1.144 -4.726 13.060 1.00 0.00 O ATOM 2041 OE2 GLU A 137 0.475 -3.257 13.488 1.00 0.00 O ATOM 0 H GLU A 137 2.748 -7.823 15.329 1.00 0.00 H new ATOM 0 HA GLU A 137 2.542 -7.694 12.432 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.631 -7.073 13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.587 -5.845 14.645 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.992 -4.841 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.710 -5.902 11.729 1.00 0.00 H new ATOM 2048 N VAL A 138 4.048 -5.800 11.836 1.00 0.00 N ATOM 2049 CA VAL A 138 5.112 -4.889 11.450 1.00 0.00 C ATOM 2050 C VAL A 138 4.500 -3.575 10.959 1.00 0.00 C ATOM 2051 O VAL A 138 5.023 -2.499 11.241 1.00 0.00 O ATOM 2052 CB VAL A 138 6.018 -5.552 10.411 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.044 -6.467 11.082 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.194 -6.319 9.375 1.00 0.00 C ATOM 0 H VAL A 138 3.454 -6.111 11.068 1.00 0.00 H new ATOM 0 HA VAL A 138 5.742 -4.653 12.307 1.00 0.00 H new ATOM 0 HB VAL A 138 6.562 -4.764 9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.675 -6.926 10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.663 -5.882 11.763 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.526 -7.246 11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 138 5.862 -6.781 8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.611 -7.093 9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.521 -5.631 8.863 1.00 0.00 H new ATOM 2064 N ALA A 139 3.400 -3.708 10.232 1.00 0.00 N ATOM 2065 CA ALA A 139 2.711 -2.545 9.698 1.00 0.00 C ATOM 2066 C ALA A 139 1.203 -2.801 9.712 1.00 0.00 C ATOM 2067 O ALA A 139 0.764 -3.944 9.826 1.00 0.00 O ATOM 2068 CB ALA A 139 3.238 -2.239 8.295 1.00 0.00 C ATOM 0 H ALA A 139 2.969 -4.603 10.000 1.00 0.00 H new ATOM 0 HA ALA A 139 2.902 -1.668 10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.721 -1.367 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.308 -2.036 8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.061 -3.096 7.645 1.00 0.00 H new ATOM 2074 N MET A 140 0.450 -1.717 9.594 1.00 0.00 N ATOM 2075 CA MET A 140 -1.000 -1.809 9.592 1.00 0.00 C ATOM 2076 C MET A 140 -1.616 -0.740 8.687 1.00 0.00 C ATOM 2077 O MET A 140 -1.020 0.315 8.472 1.00 0.00 O ATOM 2078 CB MET A 140 -1.525 -1.635 11.018 1.00 0.00 C ATOM 2079 CG MET A 140 -1.528 -0.161 11.426 1.00 0.00 C ATOM 2080 SD MET A 140 -2.175 0.014 13.080 1.00 0.00 S ATOM 2081 CE MET A 140 -3.904 0.260 12.712 1.00 0.00 C ATOM 0 H MET A 140 0.817 -0.770 9.499 1.00 0.00 H new ATOM 0 HA MET A 140 -1.282 -2.790 9.209 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.536 -2.037 11.089 1.00 0.00 H new ATOM 0 HB3 MET A 140 -0.905 -2.206 11.709 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.516 0.240 11.379 1.00 0.00 H new ATOM 0 HG3 MET A 140 -2.133 0.417 10.727 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.483 0.210 13.634 1.00 0.00 H new ATOM 0 HE2 MET A 140 -4.042 1.237 12.249 1.00 0.00 H new ATOM 0 HE3 MET A 140 -4.244 -0.517 12.027 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.801 -1.049 8.181 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.504 -0.128 7.305 1.00 0.00 C ATOM 2093 C ARG A 141 -5.006 -0.161 7.595 1.00 0.00 C ATOM 2094 O ARG A 141 -5.731 -0.985 7.040 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.268 -0.478 5.834 1.00 0.00 C ATOM 2096 CG ARG A 141 -3.810 0.618 4.915 1.00 0.00 C ATOM 2097 CD ARG A 141 -2.998 0.701 3.622 1.00 0.00 C ATOM 2098 NE ARG A 141 -1.776 1.507 3.842 1.00 0.00 N ATOM 2099 CZ ARG A 141 -1.741 2.846 3.799 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -2.860 3.537 3.544 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -0.587 3.493 4.012 1.00 0.00 N ATOM 0 H ARG A 141 -3.292 -1.925 8.361 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.115 0.872 7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.201 -0.612 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.752 -1.426 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -4.855 0.416 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -3.779 1.578 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.728 -0.301 3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -3.601 1.148 2.832 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.906 1.012 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -3.738 3.044 3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.834 4.556 3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.265 2.966 4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.560 4.512 3.979 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.428 0.745 8.464 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.831 0.830 8.835 1.00 0.00 C ATOM 2117 C LYS A 142 -7.555 1.764 7.863 1.00 0.00 C ATOM 2118 O LYS A 142 -6.960 2.708 7.344 1.00 0.00 O ATOM 2119 CB LYS A 142 -6.973 1.238 10.302 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.415 1.061 10.783 1.00 0.00 C ATOM 2121 CD LYS A 142 -9.015 2.398 11.222 1.00 0.00 C ATOM 2122 CE LYS A 142 -10.328 2.187 11.980 1.00 0.00 C ATOM 2123 NZ LYS A 142 -10.985 3.486 12.249 1.00 0.00 N ATOM 0 H LYS A 142 -4.824 1.427 8.922 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.307 -0.147 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.304 0.636 10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.670 2.278 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.019 0.633 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.441 0.356 11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -8.305 2.928 11.857 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.192 3.026 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.993 1.550 11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.134 1.670 12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.953 3.321 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -10.445 4.005 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -11.020 4.045 11.373 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.828 1.469 7.647 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.639 2.271 6.747 1.00 0.00 C ATOM 2139 C LEU A 143 -11.118 2.073 7.087 1.00 0.00 C ATOM 2140 O LEU A 143 -11.652 0.975 6.935 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.296 1.955 5.290 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.301 2.902 4.615 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -7.031 2.156 4.198 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -8.950 3.630 3.437 1.00 0.00 C ATOM 0 H LEU A 143 -9.318 0.686 8.080 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.419 3.330 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -8.893 0.943 5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.220 1.957 4.711 1.00 0.00 H new ATOM 0 HG LEU A 143 -8.006 3.661 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.341 2.852 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.558 1.722 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.289 1.362 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -8.222 4.296 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -9.292 2.901 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -9.800 4.212 3.793 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.738 3.153 7.540 1.00 0.00 N ATOM 2157 CA VAL A 144 -13.144 3.111 7.903 1.00 0.00 C ATOM 2158 C VAL A 144 -13.905 4.168 7.099 1.00 0.00 C ATOM 2159 O VAL A 144 -13.330 5.177 6.694 1.00 0.00 O ATOM 2160 CB VAL A 144 -13.300 3.283 9.415 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -13.094 4.742 9.825 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -14.661 2.767 9.888 1.00 0.00 C ATOM 0 H VAL A 144 -11.292 4.062 7.664 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.574 2.141 7.654 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.528 2.687 9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -13.210 4.836 10.905 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -12.092 5.062 9.539 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -13.832 5.368 9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -14.746 2.901 10.966 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -15.454 3.324 9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -14.753 1.708 9.646 1.00 0.00 H new ATOM 2172 N ARG A 145 -15.186 3.900 6.894 1.00 0.00 N ATOM 2173 CA ARG A 145 -16.032 4.816 6.147 1.00 0.00 C ATOM 2174 C ARG A 145 -16.886 5.650 7.104 1.00 0.00 C ATOM 2175 O ARG A 145 -17.381 5.138 8.107 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.948 4.058 5.184 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.774 5.028 4.336 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.778 4.273 3.462 1.00 0.00 C ATOM 2179 NE ARG A 145 -19.444 5.211 2.532 1.00 0.00 N ATOM 2180 CZ ARG A 145 -20.636 4.986 1.963 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -21.300 3.852 2.226 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -21.165 5.894 1.131 1.00 0.00 N ATOM 0 H ARG A 145 -15.659 3.062 7.232 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.381 5.473 5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -16.350 3.419 4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -17.614 3.404 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -18.304 5.725 4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -17.111 5.621 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -18.267 3.491 2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -19.521 3.781 4.089 1.00 0.00 H new ATOM 0 HE ARG A 145 -18.966 6.084 2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -20.898 3.161 2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -22.207 3.680 1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -20.660 6.757 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -22.072 5.722 0.698 1.00 0.00 H new