USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 699 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 133 ASN : amide:sc= 0.736 K(o=0.57,f=-5.3!) USER MOD Set 1.2: A 148 THR OG1 : rot 170:sc= -0.166 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.66! C(o=-1.7!,f=-8.6!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.455 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-4.9!) USER MOD Single : A 85 SER OG : rot 110:sc= 0.0796 USER MOD Single : A 93 THR OG1 : rot -97:sc= 0.952 USER MOD Single : A 95 SER OG : rot 180:sc= -0.326 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 105 ASN : amide:sc= -0.701 X(o=-0.7,f=-0.79) USER MOD Single : A 106 ASN : amide:sc= -0.053 K(o=-0.053,f=-2.1!) USER MOD Single : A 109 ASN : amide:sc= -1.54 K(o=-1.5,f=-6.9!) USER MOD Single : A 119 THR OG1 : rot 132:sc= 0.386 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.0313 F(o=-1.3!,f=-0.031) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 141 LYS NZ :NH3+ -166:sc= -0.0125 (180deg=-0.243) USER MOD ----------------------------------------------------------------- ATOM 416 N GLY A 54 -12.952 -5.361 -5.018 1.00 0.00 N ATOM 417 CA GLY A 54 -12.913 -5.248 -3.528 1.00 0.00 C ATOM 418 C GLY A 54 -11.559 -5.726 -3.014 1.00 0.00 C ATOM 419 O GLY A 54 -11.156 -5.397 -1.919 1.00 0.00 O ATOM 0 HA2 GLY A 54 -13.083 -4.214 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.712 -5.844 -3.087 1.00 0.00 H new ATOM 423 N LEU A 55 -10.856 -6.508 -3.793 1.00 0.00 N ATOM 424 CA LEU A 55 -9.524 -7.025 -3.346 1.00 0.00 C ATOM 425 C LEU A 55 -8.403 -6.283 -4.073 1.00 0.00 C ATOM 426 O LEU A 55 -8.509 -5.947 -5.236 1.00 0.00 O ATOM 427 CB LEU A 55 -9.429 -8.526 -3.659 1.00 0.00 C ATOM 428 CG LEU A 55 -10.207 -9.338 -2.607 1.00 0.00 C ATOM 429 CD1 LEU A 55 -11.713 -9.251 -2.881 1.00 0.00 C ATOM 430 CD2 LEU A 55 -9.762 -10.801 -2.664 1.00 0.00 C ATOM 0 H LEU A 55 -11.147 -6.812 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.420 -6.865 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.831 -8.724 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.384 -8.837 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.002 -8.929 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.253 -9.829 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.032 -8.210 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.926 -9.653 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.312 -11.378 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.963 -11.204 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.694 -10.865 -2.456 1.00 0.00 H new ATOM 442 N ALA A 56 -7.324 -6.030 -3.384 1.00 0.00 N ATOM 443 CA ALA A 56 -6.171 -5.315 -4.003 1.00 0.00 C ATOM 444 C ALA A 56 -4.877 -5.892 -3.436 1.00 0.00 C ATOM 445 O ALA A 56 -4.874 -6.510 -2.392 1.00 0.00 O ATOM 446 CB ALA A 56 -6.259 -3.826 -3.674 1.00 0.00 C ATOM 0 H ALA A 56 -7.190 -6.291 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.190 -5.442 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.416 -3.303 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.191 -3.421 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.232 -3.690 -2.593 1.00 0.00 H new ATOM 452 N LEU A 57 -3.780 -5.709 -4.124 1.00 0.00 N ATOM 453 CA LEU A 57 -2.479 -6.264 -3.634 1.00 0.00 C ATOM 454 C LEU A 57 -1.370 -5.232 -3.830 1.00 0.00 C ATOM 455 O LEU A 57 -1.507 -4.280 -4.578 1.00 0.00 O ATOM 456 CB LEU A 57 -2.136 -7.549 -4.418 1.00 0.00 C ATOM 457 CG LEU A 57 -2.739 -7.498 -5.826 1.00 0.00 C ATOM 458 CD1 LEU A 57 -2.155 -6.313 -6.606 1.00 0.00 C ATOM 459 CD2 LEU A 57 -2.404 -8.801 -6.552 1.00 0.00 C ATOM 0 H LEU A 57 -3.727 -5.199 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.566 -6.500 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.054 -7.664 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.517 -8.420 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.820 -7.375 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.590 -6.285 -7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.386 -5.384 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.074 -6.426 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.828 -8.777 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.322 -8.913 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.823 -9.643 -6.001 1.00 0.00 H new ATOM 471 N LEU A 58 -0.267 -5.430 -3.157 1.00 0.00 N ATOM 472 CA LEU A 58 0.892 -4.494 -3.272 1.00 0.00 C ATOM 473 C LEU A 58 2.102 -5.268 -3.783 1.00 0.00 C ATOM 474 O LEU A 58 2.370 -6.371 -3.350 1.00 0.00 O ATOM 475 CB LEU A 58 1.198 -3.912 -1.886 1.00 0.00 C ATOM 476 CG LEU A 58 0.191 -2.789 -1.555 1.00 0.00 C ATOM 477 CD1 LEU A 58 0.057 -2.643 -0.036 1.00 0.00 C ATOM 478 CD2 LEU A 58 0.683 -1.455 -2.139 1.00 0.00 C ATOM 0 H LEU A 58 -0.117 -6.214 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 58 0.659 -3.685 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.142 -4.697 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.215 -3.520 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.775 -3.047 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.655 -1.849 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.298 -3.582 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.028 -2.394 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.033 -0.668 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.653 -1.205 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.778 -1.544 -3.221 1.00 0.00 H new ATOM 490 N VAL A 59 2.829 -4.698 -4.710 1.00 0.00 N ATOM 491 CA VAL A 59 4.030 -5.392 -5.276 1.00 0.00 C ATOM 492 C VAL A 59 5.269 -4.521 -5.095 1.00 0.00 C ATOM 493 O VAL A 59 5.258 -3.337 -5.362 1.00 0.00 O ATOM 494 CB VAL A 59 3.797 -5.658 -6.761 1.00 0.00 C ATOM 495 CG1 VAL A 59 5.042 -6.312 -7.356 1.00 0.00 C ATOM 496 CG2 VAL A 59 2.599 -6.598 -6.921 1.00 0.00 C ATOM 0 H VAL A 59 2.642 -3.775 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 59 4.186 -6.336 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 59 3.596 -4.720 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.880 -6.504 -8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.896 -5.646 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.239 -7.253 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.427 -6.792 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.803 -7.538 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.712 -6.134 -6.489 1.00 0.00 H new ATOM 506 N VAL A 60 6.339 -5.106 -4.632 1.00 0.00 N ATOM 507 CA VAL A 60 7.586 -4.324 -4.418 1.00 0.00 C ATOM 508 C VAL A 60 8.127 -3.844 -5.765 1.00 0.00 C ATOM 509 O VAL A 60 8.541 -4.626 -6.596 1.00 0.00 O ATOM 510 CB VAL A 60 8.617 -5.217 -3.729 1.00 0.00 C ATOM 511 CG1 VAL A 60 9.895 -4.421 -3.465 1.00 0.00 C ATOM 512 CG2 VAL A 60 8.043 -5.710 -2.400 1.00 0.00 C ATOM 0 H VAL A 60 6.402 -6.095 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 60 7.379 -3.456 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 60 8.849 -6.067 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.628 -5.061 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.302 -4.063 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.668 -3.570 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.773 -6.348 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.814 -4.855 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.132 -6.278 -2.586 1.00 0.00 H new ATOM 522 N LYS A 61 8.114 -2.561 -5.983 1.00 0.00 N ATOM 523 CA LYS A 61 8.617 -2.012 -7.272 1.00 0.00 C ATOM 524 C LYS A 61 10.120 -2.271 -7.387 1.00 0.00 C ATOM 525 O LYS A 61 10.611 -2.689 -8.414 1.00 0.00 O ATOM 526 CB LYS A 61 8.359 -0.503 -7.298 1.00 0.00 C ATOM 527 CG LYS A 61 8.655 0.072 -8.695 1.00 0.00 C ATOM 528 CD LYS A 61 7.426 -0.083 -9.597 1.00 0.00 C ATOM 529 CE LYS A 61 7.705 0.559 -10.955 1.00 0.00 C ATOM 530 NZ LYS A 61 6.510 0.392 -11.828 1.00 0.00 N ATOM 0 H LYS A 61 7.775 -1.864 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 61 8.104 -2.494 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.323 -0.301 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.985 -0.009 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.926 1.125 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.508 -0.444 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.186 -1.139 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.559 0.387 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.935 1.617 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.576 0.096 -11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.693 0.827 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.311 -0.621 -11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.690 0.853 -11.385 1.00 0.00 H new ATOM 544 N ARG A 62 10.857 -2.014 -6.341 1.00 0.00 N ATOM 545 CA ARG A 62 12.331 -2.237 -6.397 1.00 0.00 C ATOM 546 C ARG A 62 12.879 -2.428 -4.984 1.00 0.00 C ATOM 547 O ARG A 62 12.431 -1.805 -4.045 1.00 0.00 O ATOM 548 CB ARG A 62 13.005 -1.023 -7.049 1.00 0.00 C ATOM 549 CG ARG A 62 14.513 -1.269 -7.171 1.00 0.00 C ATOM 550 CD ARG A 62 15.185 -0.051 -7.810 1.00 0.00 C ATOM 551 NE ARG A 62 14.734 0.077 -9.223 1.00 0.00 N ATOM 552 CZ ARG A 62 15.117 1.095 -9.943 1.00 0.00 C ATOM 553 NH1 ARG A 62 15.894 2.006 -9.428 1.00 0.00 N ATOM 554 NH2 ARG A 62 14.719 1.202 -11.181 1.00 0.00 N ATOM 0 H ARG A 62 10.504 -1.660 -5.452 1.00 0.00 H new ATOM 0 HA ARG A 62 12.539 -3.130 -6.986 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.576 -0.843 -8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.820 -0.129 -6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.941 -1.458 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.699 -2.157 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.933 0.851 -7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.269 -0.157 -7.771 1.00 0.00 H new ATOM 0 HE ARG A 62 14.124 -0.633 -9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.204 1.924 -8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.192 2.801 -9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.109 0.490 -11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.017 1.997 -11.746 1.00 0.00 H new ATOM 568 N GLY A 63 13.860 -3.275 -4.831 1.00 0.00 N ATOM 569 CA GLY A 63 14.451 -3.495 -3.483 1.00 0.00 C ATOM 570 C GLY A 63 15.138 -4.866 -3.437 1.00 0.00 C ATOM 571 O GLY A 63 15.199 -5.572 -4.425 1.00 0.00 O ATOM 0 H GLY A 63 14.277 -3.824 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.172 -2.709 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.673 -3.441 -2.721 1.00 0.00 H new ATOM 575 N PRO A 64 15.650 -5.236 -2.289 1.00 0.00 N ATOM 576 CA PRO A 64 16.349 -6.546 -2.092 1.00 0.00 C ATOM 577 C PRO A 64 15.477 -7.733 -2.521 1.00 0.00 C ATOM 578 O PRO A 64 15.953 -8.698 -3.087 1.00 0.00 O ATOM 579 CB PRO A 64 16.611 -6.603 -0.574 1.00 0.00 C ATOM 580 CG PRO A 64 16.574 -5.179 -0.111 1.00 0.00 C ATOM 581 CD PRO A 64 15.619 -4.441 -1.052 1.00 0.00 C ATOM 0 HA PRO A 64 17.256 -6.613 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 64 15.854 -7.201 -0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.576 -7.061 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.228 -5.115 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.569 -4.735 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.612 -4.388 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.946 -3.416 -1.228 1.00 0.00 H new ATOM 589 N ASN A 65 14.203 -7.659 -2.241 1.00 0.00 N ATOM 590 CA ASN A 65 13.267 -8.764 -2.607 1.00 0.00 C ATOM 591 C ASN A 65 12.415 -8.319 -3.796 1.00 0.00 C ATOM 592 O ASN A 65 11.340 -8.831 -4.026 1.00 0.00 O ATOM 593 CB ASN A 65 12.367 -9.078 -1.406 1.00 0.00 C ATOM 594 CG ASN A 65 11.547 -7.841 -1.030 1.00 0.00 C ATOM 595 OD1 ASN A 65 11.494 -6.883 -1.772 1.00 0.00 O ATOM 596 ND2 ASN A 65 10.903 -7.825 0.106 1.00 0.00 N ATOM 0 H ASN A 65 13.765 -6.869 -1.768 1.00 0.00 H new ATOM 0 HA ASN A 65 13.828 -9.659 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.701 -9.907 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.975 -9.393 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.355 -7.006 0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.948 -8.631 0.729 1.00 0.00 H new ATOM 603 N ALA A 66 12.896 -7.358 -4.545 1.00 0.00 N ATOM 604 CA ALA A 66 12.132 -6.848 -5.726 1.00 0.00 C ATOM 605 C ALA A 66 11.458 -8.008 -6.469 1.00 0.00 C ATOM 606 O ALA A 66 12.105 -8.793 -7.132 1.00 0.00 O ATOM 607 CB ALA A 66 13.095 -6.135 -6.674 1.00 0.00 C ATOM 0 H ALA A 66 13.794 -6.901 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 66 11.363 -6.157 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.545 -5.761 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.566 -5.301 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.862 -6.834 -7.008 1.00 0.00 H new ATOM 613 N GLY A 67 10.157 -8.115 -6.357 1.00 0.00 N ATOM 614 CA GLY A 67 9.416 -9.219 -7.045 1.00 0.00 C ATOM 615 C GLY A 67 8.342 -9.776 -6.104 1.00 0.00 C ATOM 616 O GLY A 67 7.400 -10.409 -6.530 1.00 0.00 O ATOM 0 H GLY A 67 9.572 -7.480 -5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.956 -8.847 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.107 -10.010 -7.334 1.00 0.00 H new ATOM 620 N SER A 68 8.484 -9.559 -4.824 1.00 0.00 N ATOM 621 CA SER A 68 7.479 -10.100 -3.855 1.00 0.00 C ATOM 622 C SER A 68 6.135 -9.379 -3.999 1.00 0.00 C ATOM 623 O SER A 68 6.057 -8.271 -4.491 1.00 0.00 O ATOM 624 CB SER A 68 7.997 -9.915 -2.429 1.00 0.00 C ATOM 625 OG SER A 68 7.710 -8.592 -1.993 1.00 0.00 O ATOM 0 H SER A 68 9.250 -9.032 -4.405 1.00 0.00 H new ATOM 0 HA SER A 68 7.331 -11.159 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.529 -10.639 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.071 -10.097 -2.393 1.00 0.00 H new ATOM 0 HG SER A 68 8.039 -8.470 -1.078 1.00 0.00 H new ATOM 631 N ARG A 69 5.073 -10.009 -3.560 1.00 0.00 N ATOM 632 CA ARG A 69 3.718 -9.382 -3.654 1.00 0.00 C ATOM 633 C ARG A 69 2.895 -9.747 -2.421 1.00 0.00 C ATOM 634 O ARG A 69 3.169 -10.722 -1.751 1.00 0.00 O ATOM 635 CB ARG A 69 3.015 -9.885 -4.919 1.00 0.00 C ATOM 636 CG ARG A 69 2.848 -11.407 -4.859 1.00 0.00 C ATOM 637 CD ARG A 69 2.194 -11.890 -6.156 1.00 0.00 C ATOM 638 NE ARG A 69 1.953 -13.363 -6.081 1.00 0.00 N ATOM 639 CZ ARG A 69 2.895 -14.206 -6.415 1.00 0.00 C ATOM 640 NH1 ARG A 69 4.061 -13.768 -6.805 1.00 0.00 N ATOM 641 NH2 ARG A 69 2.666 -15.489 -6.359 1.00 0.00 N ATOM 0 H ARG A 69 5.087 -10.937 -3.138 1.00 0.00 H new ATOM 0 HA ARG A 69 3.819 -8.298 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.040 -9.408 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.594 -9.609 -5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.818 -11.887 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.234 -11.685 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.252 -11.365 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.836 -11.660 -7.006 1.00 0.00 H new ATOM 0 HE ARG A 69 1.048 -13.713 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.240 -12.765 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.793 -14.429 -7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.754 -15.832 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.398 -16.150 -6.619 1.00 0.00 H new ATOM 655 N PHE A 70 1.888 -8.965 -2.115 1.00 0.00 N ATOM 656 CA PHE A 70 1.036 -9.251 -0.919 1.00 0.00 C ATOM 657 C PHE A 70 -0.434 -9.229 -1.320 1.00 0.00 C ATOM 658 O PHE A 70 -0.851 -8.444 -2.148 1.00 0.00 O ATOM 659 CB PHE A 70 1.287 -8.181 0.138 1.00 0.00 C ATOM 660 CG PHE A 70 2.701 -8.320 0.636 1.00 0.00 C ATOM 661 CD1 PHE A 70 2.997 -9.243 1.642 1.00 0.00 C ATOM 662 CD2 PHE A 70 3.716 -7.532 0.084 1.00 0.00 C ATOM 663 CE1 PHE A 70 4.312 -9.381 2.099 1.00 0.00 C ATOM 664 CE2 PHE A 70 5.031 -7.669 0.539 1.00 0.00 C ATOM 665 CZ PHE A 70 5.329 -8.593 1.548 1.00 0.00 C ATOM 0 H PHE A 70 1.619 -8.137 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 70 1.286 -10.234 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.130 -7.188 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.583 -8.291 0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.211 -9.850 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.484 -6.818 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.542 -10.095 2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.816 -7.063 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.344 -8.698 1.901 1.00 0.00 H new ATOM 675 N LEU A 71 -1.219 -10.091 -0.729 1.00 0.00 N ATOM 676 CA LEU A 71 -2.678 -10.149 -1.049 1.00 0.00 C ATOM 677 C LEU A 71 -3.476 -9.599 0.132 1.00 0.00 C ATOM 678 O LEU A 71 -3.321 -10.039 1.252 1.00 0.00 O ATOM 679 CB LEU A 71 -3.068 -11.610 -1.304 1.00 0.00 C ATOM 680 CG LEU A 71 -4.583 -11.730 -1.531 1.00 0.00 C ATOM 681 CD1 LEU A 71 -5.026 -10.812 -2.683 1.00 0.00 C ATOM 682 CD2 LEU A 71 -4.920 -13.186 -1.870 1.00 0.00 C ATOM 0 H LEU A 71 -0.909 -10.766 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.893 -9.551 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.533 -11.989 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.772 -12.225 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.109 -11.427 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.102 -10.908 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.785 -9.778 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.506 -11.099 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.993 -13.283 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.388 -13.482 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.619 -13.831 -1.044 1.00 0.00 H new ATOM 694 N LEU A 72 -4.333 -8.642 -0.110 1.00 0.00 N ATOM 695 CA LEU A 72 -5.150 -8.063 0.998 1.00 0.00 C ATOM 696 C LEU A 72 -6.536 -8.701 0.991 1.00 0.00 C ATOM 697 O LEU A 72 -7.323 -8.492 0.089 1.00 0.00 O ATOM 698 CB LEU A 72 -5.278 -6.553 0.792 1.00 0.00 C ATOM 699 CG LEU A 72 -3.882 -5.917 0.751 1.00 0.00 C ATOM 700 CD1 LEU A 72 -4.019 -4.414 0.497 1.00 0.00 C ATOM 701 CD2 LEU A 72 -3.152 -6.154 2.087 1.00 0.00 C ATOM 0 H LEU A 72 -4.503 -8.235 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.667 -8.260 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.810 -6.347 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.865 -6.114 1.599 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.303 -6.373 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.029 -3.958 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.523 -4.250 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.603 -3.961 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.163 -5.699 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.725 -5.706 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.051 -7.225 2.262 1.00 0.00 H new ATOM 713 N ASP A 73 -6.837 -9.477 1.998 1.00 0.00 N ATOM 714 CA ASP A 73 -8.169 -10.144 2.084 1.00 0.00 C ATOM 715 C ASP A 73 -8.733 -9.934 3.490 1.00 0.00 C ATOM 716 O ASP A 73 -9.372 -10.803 4.044 1.00 0.00 O ATOM 717 CB ASP A 73 -7.999 -11.642 1.813 1.00 0.00 C ATOM 718 CG ASP A 73 -9.371 -12.313 1.757 1.00 0.00 C ATOM 719 OD1 ASP A 73 -10.347 -11.648 2.062 1.00 0.00 O ATOM 720 OD2 ASP A 73 -9.424 -13.481 1.407 1.00 0.00 O ATOM 0 H ASP A 73 -6.208 -9.680 2.775 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.852 -9.721 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.470 -11.794 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.392 -12.097 2.596 1.00 0.00 H new ATOM 725 N GLN A 74 -8.499 -8.782 4.075 1.00 0.00 N ATOM 726 CA GLN A 74 -9.024 -8.509 5.452 1.00 0.00 C ATOM 727 C GLN A 74 -9.529 -7.068 5.540 1.00 0.00 C ATOM 728 O GLN A 74 -9.110 -6.202 4.800 1.00 0.00 O ATOM 729 CB GLN A 74 -7.911 -8.725 6.482 1.00 0.00 C ATOM 730 CG GLN A 74 -7.593 -10.217 6.573 1.00 0.00 C ATOM 731 CD GLN A 74 -6.488 -10.450 7.606 1.00 0.00 C ATOM 732 OE1 GLN A 74 -5.790 -9.438 8.042 1.00 0.00 O flip ATOM 733 NE2 GLN A 74 -6.257 -11.568 8.021 1.00 0.00 N flip ATOM 0 H GLN A 74 -7.967 -8.019 3.658 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.848 -9.192 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.019 -8.168 6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.222 -8.347 7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.488 -10.772 6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.278 -10.591 5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.802 -12.361 7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.518 -11.714 8.709 1.00 0.00 H new ATOM 742 N ALA A 75 -10.436 -6.815 6.441 1.00 0.00 N ATOM 743 CA ALA A 75 -10.992 -5.440 6.590 1.00 0.00 C ATOM 744 C ALA A 75 -9.882 -4.460 6.969 1.00 0.00 C ATOM 745 O ALA A 75 -9.784 -3.385 6.413 1.00 0.00 O ATOM 746 CB ALA A 75 -12.047 -5.453 7.692 1.00 0.00 C ATOM 0 H ALA A 75 -10.819 -7.506 7.086 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.435 -5.125 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.462 -4.452 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.844 -6.147 7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.590 -5.770 8.629 1.00 0.00 H new ATOM 752 N ILE A 76 -9.049 -4.816 7.917 1.00 0.00 N ATOM 753 CA ILE A 76 -7.940 -3.902 8.344 1.00 0.00 C ATOM 754 C ILE A 76 -6.612 -4.652 8.319 1.00 0.00 C ATOM 755 O ILE A 76 -6.483 -5.719 8.884 1.00 0.00 O ATOM 756 CB ILE A 76 -8.211 -3.402 9.763 1.00 0.00 C ATOM 757 CG1 ILE A 76 -9.485 -2.554 9.764 1.00 0.00 C ATOM 758 CG2 ILE A 76 -7.032 -2.549 10.233 1.00 0.00 C ATOM 759 CD1 ILE A 76 -9.911 -2.268 11.205 1.00 0.00 C ATOM 0 H ILE A 76 -9.089 -5.704 8.416 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.889 -3.056 7.659 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.336 -4.252 10.434 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.311 -1.618 9.233 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.282 -3.077 9.236 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.222 -2.191 11.245 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.123 -3.150 10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.909 -1.697 9.564 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.818 -1.664 11.203 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.102 -3.209 11.721 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.116 -1.727 11.719 1.00 0.00 H new ATOM 771 N THR A 77 -5.620 -4.089 7.676 1.00 0.00 N ATOM 772 CA THR A 77 -4.276 -4.741 7.613 1.00 0.00 C ATOM 773 C THR A 77 -3.224 -3.763 8.136 1.00 0.00 C ATOM 774 O THR A 77 -3.119 -2.644 7.677 1.00 0.00 O ATOM 775 CB THR A 77 -3.959 -5.113 6.164 1.00 0.00 C ATOM 776 OG1 THR A 77 -4.929 -6.040 5.695 1.00 0.00 O ATOM 777 CG2 THR A 77 -2.569 -5.745 6.095 1.00 0.00 C ATOM 0 H THR A 77 -5.685 -3.196 7.187 1.00 0.00 H new ATOM 0 HA THR A 77 -4.272 -5.644 8.224 1.00 0.00 H new ATOM 0 HB THR A 77 -3.980 -4.219 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.730 -6.280 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.341 -6.011 5.063 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.827 -5.034 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.546 -6.642 6.714 1.00 0.00 H new ATOM 785 N SER A 78 -2.448 -4.177 9.098 1.00 0.00 N ATOM 786 CA SER A 78 -1.402 -3.276 9.662 1.00 0.00 C ATOM 787 C SER A 78 -0.120 -3.406 8.842 1.00 0.00 C ATOM 788 O SER A 78 0.065 -4.363 8.119 1.00 0.00 O ATOM 789 CB SER A 78 -1.122 -3.680 11.106 1.00 0.00 C ATOM 790 OG SER A 78 -2.267 -3.399 11.899 1.00 0.00 O ATOM 0 H SER A 78 -2.493 -5.104 9.520 1.00 0.00 H new ATOM 0 HA SER A 78 -1.750 -2.244 9.628 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.879 -4.741 11.159 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.258 -3.136 11.488 1.00 0.00 H new ATOM 0 HG SER A 78 -2.093 -3.658 12.828 1.00 0.00 H new ATOM 796 N ALA A 79 0.766 -2.445 8.951 1.00 0.00 N ATOM 797 CA ALA A 79 2.049 -2.495 8.178 1.00 0.00 C ATOM 798 C ALA A 79 3.237 -2.483 9.138 1.00 0.00 C ATOM 799 O ALA A 79 3.166 -1.952 10.228 1.00 0.00 O ATOM 800 CB ALA A 79 2.129 -1.265 7.272 1.00 0.00 C ATOM 0 H ALA A 79 0.655 -1.623 9.545 1.00 0.00 H new ATOM 0 HA ALA A 79 2.077 -3.407 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.059 -1.291 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.284 -1.265 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.101 -0.362 7.881 1.00 0.00 H new ATOM 806 N GLY A 80 4.337 -3.054 8.727 1.00 0.00 N ATOM 807 CA GLY A 80 5.554 -3.071 9.593 1.00 0.00 C ATOM 808 C GLY A 80 5.679 -4.418 10.300 1.00 0.00 C ATOM 809 O GLY A 80 5.609 -5.463 9.685 1.00 0.00 O ATOM 0 H GLY A 80 4.447 -3.513 7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.442 -2.885 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.496 -2.269 10.329 1.00 0.00 H new ATOM 813 N ARG A 81 5.881 -4.400 11.591 1.00 0.00 N ATOM 814 CA ARG A 81 6.035 -5.676 12.353 1.00 0.00 C ATOM 815 C ARG A 81 4.725 -6.026 13.059 1.00 0.00 C ATOM 816 O ARG A 81 4.102 -5.193 13.683 1.00 0.00 O ATOM 817 CB ARG A 81 7.143 -5.495 13.393 1.00 0.00 C ATOM 818 CG ARG A 81 8.497 -5.389 12.686 1.00 0.00 C ATOM 819 CD ARG A 81 9.611 -5.187 13.720 1.00 0.00 C ATOM 820 NE ARG A 81 10.924 -5.086 13.016 1.00 0.00 N ATOM 821 CZ ARG A 81 12.043 -5.154 13.691 1.00 0.00 C ATOM 822 NH1 ARG A 81 12.020 -5.304 14.987 1.00 0.00 N ATOM 823 NH2 ARG A 81 13.185 -5.071 13.066 1.00 0.00 N ATOM 0 H ARG A 81 5.946 -3.552 12.154 1.00 0.00 H new ATOM 0 HA ARG A 81 6.291 -6.483 11.667 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.958 -4.598 13.984 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.147 -6.337 14.085 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.686 -6.293 12.107 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.486 -4.556 11.983 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.425 -4.283 14.300 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.625 -6.019 14.424 1.00 0.00 H new ATOM 0 HE ARG A 81 10.949 -4.963 12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.128 -5.369 15.477 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.894 -5.357 15.510 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.205 -4.953 12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.058 -5.124 13.590 1.00 0.00 H new ATOM 837 N HIS A 82 4.315 -7.259 12.970 1.00 0.00 N ATOM 838 CA HIS A 82 3.056 -7.685 13.638 1.00 0.00 C ATOM 839 C HIS A 82 3.025 -9.218 13.673 1.00 0.00 C ATOM 840 O HIS A 82 3.595 -9.868 12.818 1.00 0.00 O ATOM 841 CB HIS A 82 1.849 -7.165 12.838 1.00 0.00 C ATOM 842 CG HIS A 82 1.591 -5.726 13.186 1.00 0.00 C ATOM 843 ND1 HIS A 82 1.202 -5.333 14.456 1.00 0.00 N ATOM 844 CD2 HIS A 82 1.667 -4.576 12.443 1.00 0.00 C ATOM 845 CE1 HIS A 82 1.061 -3.995 14.440 1.00 0.00 C ATOM 846 NE2 HIS A 82 1.333 -3.483 13.237 1.00 0.00 N ATOM 0 H HIS A 82 4.802 -7.995 12.459 1.00 0.00 H new ATOM 0 HA HIS A 82 3.011 -7.284 14.650 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.040 -7.262 11.769 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.967 -7.766 13.060 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.944 -4.526 11.400 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.764 -3.407 15.296 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.303 -2.502 12.960 1.00 0.00 H new ATOM 854 N PRO A 83 2.359 -9.799 14.639 1.00 0.00 N ATOM 855 CA PRO A 83 2.258 -11.283 14.752 1.00 0.00 C ATOM 856 C PRO A 83 1.442 -11.865 13.593 1.00 0.00 C ATOM 857 O PRO A 83 1.469 -13.051 13.331 1.00 0.00 O ATOM 858 CB PRO A 83 1.557 -11.510 16.104 1.00 0.00 C ATOM 859 CG PRO A 83 0.827 -10.233 16.388 1.00 0.00 C ATOM 860 CD PRO A 83 1.636 -9.116 15.725 1.00 0.00 C ATOM 0 HA PRO A 83 3.229 -11.776 14.704 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.869 -12.354 16.054 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.279 -11.734 16.889 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.187 -10.268 15.989 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.741 -10.065 17.462 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.988 -8.328 15.340 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.323 -8.648 16.430 1.00 0.00 H new ATOM 868 N ASP A 84 0.713 -11.028 12.902 1.00 0.00 N ATOM 869 CA ASP A 84 -0.116 -11.507 11.757 1.00 0.00 C ATOM 870 C ASP A 84 -0.084 -10.470 10.632 1.00 0.00 C ATOM 871 O ASP A 84 0.966 -10.086 10.159 1.00 0.00 O ATOM 872 CB ASP A 84 -1.560 -11.696 12.224 1.00 0.00 C ATOM 873 CG ASP A 84 -2.357 -12.393 11.121 1.00 0.00 C ATOM 874 OD1 ASP A 84 -1.919 -13.440 10.674 1.00 0.00 O ATOM 875 OD2 ASP A 84 -3.387 -11.863 10.739 1.00 0.00 O ATOM 0 H ASP A 84 0.656 -10.026 13.083 1.00 0.00 H new ATOM 0 HA ASP A 84 0.282 -12.454 11.392 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.585 -12.290 13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.008 -10.731 12.459 1.00 0.00 H new ATOM 880 N SER A 85 -1.236 -10.024 10.204 1.00 0.00 N ATOM 881 CA SER A 85 -1.318 -9.019 9.105 1.00 0.00 C ATOM 882 C SER A 85 -0.653 -9.566 7.838 1.00 0.00 C ATOM 883 O SER A 85 0.387 -10.192 7.881 1.00 0.00 O ATOM 884 CB SER A 85 -0.650 -7.704 9.539 1.00 0.00 C ATOM 885 OG SER A 85 -1.592 -6.932 10.270 1.00 0.00 O ATOM 0 H SER A 85 -2.138 -10.320 10.577 1.00 0.00 H new ATOM 0 HA SER A 85 -2.367 -8.820 8.887 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.226 -7.911 10.153 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.304 -7.150 8.666 1.00 0.00 H new ATOM 0 HG SER A 85 -1.331 -6.905 11.214 1.00 0.00 H new ATOM 891 N ASP A 86 -1.263 -9.337 6.709 1.00 0.00 N ATOM 892 CA ASP A 86 -0.696 -9.833 5.424 1.00 0.00 C ATOM 893 C ASP A 86 0.659 -9.172 5.164 1.00 0.00 C ATOM 894 O ASP A 86 1.589 -9.805 4.708 1.00 0.00 O ATOM 895 CB ASP A 86 -1.654 -9.479 4.288 1.00 0.00 C ATOM 896 CG ASP A 86 -2.905 -10.353 4.376 1.00 0.00 C ATOM 897 OD1 ASP A 86 -2.874 -11.328 5.110 1.00 0.00 O ATOM 898 OD2 ASP A 86 -3.874 -10.034 3.707 1.00 0.00 O ATOM 0 H ASP A 86 -2.139 -8.822 6.621 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.564 -10.914 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.930 -8.426 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.163 -9.626 3.326 1.00 0.00 H new ATOM 903 N ILE A 87 0.774 -7.901 5.435 1.00 0.00 N ATOM 904 CA ILE A 87 2.072 -7.200 5.192 1.00 0.00 C ATOM 905 C ILE A 87 2.959 -7.324 6.428 1.00 0.00 C ATOM 906 O ILE A 87 2.599 -6.892 7.504 1.00 0.00 O ATOM 907 CB ILE A 87 1.804 -5.720 4.904 1.00 0.00 C ATOM 908 CG1 ILE A 87 1.025 -5.596 3.591 1.00 0.00 C ATOM 909 CG2 ILE A 87 3.134 -4.970 4.786 1.00 0.00 C ATOM 910 CD1 ILE A 87 0.543 -4.155 3.407 1.00 0.00 C ATOM 0 H ILE A 87 0.029 -7.316 5.813 1.00 0.00 H new ATOM 0 HA ILE A 87 2.575 -7.653 4.338 1.00 0.00 H new ATOM 0 HB ILE A 87 1.221 -5.289 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.658 -5.887 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.173 -6.276 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.941 -3.917 4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.688 -5.062 5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.721 -5.396 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.010 -4.073 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.106 -3.880 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.402 -3.485 3.380 1.00 0.00 H new ATOM 922 N PHE A 88 4.120 -7.911 6.278 1.00 0.00 N ATOM 923 CA PHE A 88 5.054 -8.072 7.435 1.00 0.00 C ATOM 924 C PHE A 88 6.444 -7.574 7.033 1.00 0.00 C ATOM 925 O PHE A 88 7.281 -8.333 6.590 1.00 0.00 O ATOM 926 CB PHE A 88 5.118 -9.552 7.819 1.00 0.00 C ATOM 927 CG PHE A 88 6.068 -9.727 8.978 1.00 0.00 C ATOM 928 CD1 PHE A 88 5.692 -9.293 10.254 1.00 0.00 C ATOM 929 CD2 PHE A 88 7.321 -10.316 8.778 1.00 0.00 C ATOM 930 CE1 PHE A 88 6.571 -9.448 11.332 1.00 0.00 C ATOM 931 CE2 PHE A 88 8.199 -10.473 9.855 1.00 0.00 C ATOM 932 CZ PHE A 88 7.825 -10.037 11.132 1.00 0.00 C ATOM 0 H PHE A 88 4.464 -8.289 5.395 1.00 0.00 H new ATOM 0 HA PHE A 88 4.700 -7.492 8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.126 -9.912 8.090 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.451 -10.146 6.968 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.724 -8.839 10.407 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.610 -10.649 7.792 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.282 -9.113 12.317 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.165 -10.930 9.702 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.504 -10.155 11.963 1.00 0.00 H new ATOM 942 N LEU A 89 6.695 -6.299 7.184 1.00 0.00 N ATOM 943 CA LEU A 89 8.029 -5.738 6.810 1.00 0.00 C ATOM 944 C LEU A 89 8.905 -5.652 8.059 1.00 0.00 C ATOM 945 O LEU A 89 8.791 -4.737 8.848 1.00 0.00 O ATOM 946 CB LEU A 89 7.835 -4.335 6.228 1.00 0.00 C ATOM 947 CG LEU A 89 6.919 -4.400 4.997 1.00 0.00 C ATOM 948 CD1 LEU A 89 6.663 -2.980 4.481 1.00 0.00 C ATOM 949 CD2 LEU A 89 7.579 -5.242 3.890 1.00 0.00 C ATOM 0 H LEU A 89 6.030 -5.619 7.552 1.00 0.00 H new ATOM 0 HA LEU A 89 8.508 -6.380 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.401 -3.677 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.800 -3.910 5.952 1.00 0.00 H new ATOM 0 HG LEU A 89 5.974 -4.865 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.013 -3.022 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.183 -2.390 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.610 -2.516 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.921 -5.282 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.529 -4.789 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.755 -6.253 4.258 1.00 0.00 H new ATOM 961 N ASP A 90 9.782 -6.600 8.245 1.00 0.00 N ATOM 962 CA ASP A 90 10.669 -6.580 9.443 1.00 0.00 C ATOM 963 C ASP A 90 11.961 -5.827 9.107 1.00 0.00 C ATOM 964 O ASP A 90 12.898 -6.391 8.582 1.00 0.00 O ATOM 965 CB ASP A 90 10.993 -8.023 9.842 1.00 0.00 C ATOM 966 CG ASP A 90 11.689 -8.041 11.204 1.00 0.00 C ATOM 967 OD1 ASP A 90 12.240 -7.020 11.582 1.00 0.00 O ATOM 968 OD2 ASP A 90 11.659 -9.078 11.847 1.00 0.00 O ATOM 0 H ASP A 90 9.923 -7.391 7.616 1.00 0.00 H new ATOM 0 HA ASP A 90 10.170 -6.076 10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.077 -8.613 9.884 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.634 -8.483 9.090 1.00 0.00 H new ATOM 973 N ASP A 91 12.017 -4.556 9.411 1.00 0.00 N ATOM 974 CA ASP A 91 13.254 -3.767 9.113 1.00 0.00 C ATOM 975 C ASP A 91 13.361 -2.584 10.081 1.00 0.00 C ATOM 976 O ASP A 91 12.374 -2.080 10.575 1.00 0.00 O ATOM 977 CB ASP A 91 13.196 -3.238 7.675 1.00 0.00 C ATOM 978 CG ASP A 91 14.590 -2.764 7.251 1.00 0.00 C ATOM 979 OD1 ASP A 91 15.555 -3.382 7.667 1.00 0.00 O ATOM 980 OD2 ASP A 91 14.668 -1.790 6.520 1.00 0.00 O ATOM 0 H ASP A 91 11.263 -4.030 9.852 1.00 0.00 H new ATOM 0 HA ASP A 91 14.124 -4.413 9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.845 -4.020 7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.484 -2.416 7.607 1.00 0.00 H new ATOM 985 N VAL A 92 14.560 -2.139 10.347 1.00 0.00 N ATOM 986 CA VAL A 92 14.755 -0.985 11.275 1.00 0.00 C ATOM 987 C VAL A 92 14.169 0.286 10.653 1.00 0.00 C ATOM 988 O VAL A 92 13.650 1.144 11.337 1.00 0.00 O ATOM 989 CB VAL A 92 16.255 -0.797 11.520 1.00 0.00 C ATOM 990 CG1 VAL A 92 16.952 -0.446 10.203 1.00 0.00 C ATOM 991 CG2 VAL A 92 16.476 0.331 12.528 1.00 0.00 C ATOM 0 H VAL A 92 15.419 -2.528 9.959 1.00 0.00 H new ATOM 0 HA VAL A 92 14.247 -1.181 12.219 1.00 0.00 H new ATOM 0 HB VAL A 92 16.671 -1.723 11.916 1.00 0.00 H new ATOM 0 HG11 VAL A 92 18.019 -0.313 10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.801 -1.252 9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 92 16.532 0.478 9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 92 17.544 0.462 12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.056 1.257 12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.986 0.080 13.468 1.00 0.00 H new ATOM 1001 N THR A 93 14.259 0.413 9.361 1.00 0.00 N ATOM 1002 CA THR A 93 13.719 1.626 8.687 1.00 0.00 C ATOM 1003 C THR A 93 12.201 1.679 8.852 1.00 0.00 C ATOM 1004 O THR A 93 11.615 2.740 8.900 1.00 0.00 O ATOM 1005 CB THR A 93 14.057 1.561 7.197 1.00 0.00 C ATOM 1006 OG1 THR A 93 13.578 0.335 6.664 1.00 0.00 O ATOM 1007 CG2 THR A 93 15.572 1.642 7.005 1.00 0.00 C ATOM 0 H THR A 93 14.685 -0.274 8.739 1.00 0.00 H new ATOM 0 HA THR A 93 14.162 2.516 9.134 1.00 0.00 H new ATOM 0 HB THR A 93 13.586 2.398 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.309 -0.317 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.807 1.595 5.942 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.941 2.581 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 93 16.049 0.808 7.519 1.00 0.00 H new ATOM 1015 N VAL A 94 11.552 0.544 8.921 1.00 0.00 N ATOM 1016 CA VAL A 94 10.062 0.538 9.063 1.00 0.00 C ATOM 1017 C VAL A 94 9.672 0.341 10.529 1.00 0.00 C ATOM 1018 O VAL A 94 10.095 -0.592 11.178 1.00 0.00 O ATOM 1019 CB VAL A 94 9.487 -0.604 8.229 1.00 0.00 C ATOM 1020 CG1 VAL A 94 7.968 -0.636 8.391 1.00 0.00 C ATOM 1021 CG2 VAL A 94 9.839 -0.381 6.756 1.00 0.00 C ATOM 0 H VAL A 94 11.988 -0.378 8.885 1.00 0.00 H new ATOM 0 HA VAL A 94 9.664 1.492 8.716 1.00 0.00 H new ATOM 0 HB VAL A 94 9.908 -1.552 8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.556 -1.451 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.717 -0.790 9.441 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.546 0.310 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.430 -1.195 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.415 0.565 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.923 -0.355 6.641 1.00 0.00 H new ATOM 1031 N SER A 95 8.865 1.224 11.048 1.00 0.00 N ATOM 1032 CA SER A 95 8.434 1.115 12.472 1.00 0.00 C ATOM 1033 C SER A 95 7.365 0.025 12.621 1.00 0.00 C ATOM 1034 O SER A 95 6.831 -0.477 11.653 1.00 0.00 O ATOM 1035 CB SER A 95 7.858 2.456 12.921 1.00 0.00 C ATOM 1036 OG SER A 95 7.328 2.324 14.232 1.00 0.00 O ATOM 0 H SER A 95 8.482 2.023 10.543 1.00 0.00 H new ATOM 0 HA SER A 95 9.293 0.852 13.089 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.634 3.222 12.905 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.078 2.779 12.232 1.00 0.00 H new ATOM 0 HG SER A 95 6.959 3.184 14.524 1.00 0.00 H new ATOM 1042 N ARG A 96 7.059 -0.344 13.836 1.00 0.00 N ATOM 1043 CA ARG A 96 6.033 -1.404 14.074 1.00 0.00 C ATOM 1044 C ARG A 96 4.682 -0.957 13.504 1.00 0.00 C ATOM 1045 O ARG A 96 3.977 -1.731 12.890 1.00 0.00 O ATOM 1046 CB ARG A 96 5.897 -1.636 15.582 1.00 0.00 C ATOM 1047 CG ARG A 96 4.932 -2.797 15.843 1.00 0.00 C ATOM 1048 CD ARG A 96 4.810 -3.039 17.353 1.00 0.00 C ATOM 1049 NE ARG A 96 4.138 -1.868 17.991 1.00 0.00 N ATOM 1050 CZ ARG A 96 4.007 -1.810 19.292 1.00 0.00 C ATOM 1051 NH1 ARG A 96 4.465 -2.774 20.044 1.00 0.00 N ATOM 1052 NH2 ARG A 96 3.416 -0.783 19.840 1.00 0.00 N ATOM 0 H ARG A 96 7.478 0.045 14.681 1.00 0.00 H new ATOM 0 HA ARG A 96 6.341 -2.326 13.582 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.873 -1.858 16.015 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.531 -0.731 16.067 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.953 -2.570 15.421 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.291 -3.699 15.348 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.238 -3.948 17.542 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.798 -3.188 17.789 1.00 0.00 H new ATOM 0 HE ARG A 96 3.779 -1.110 17.410 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.927 -3.577 19.618 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.360 -2.724 21.057 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.058 -0.028 19.255 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.312 -0.735 20.854 1.00 0.00 H new ATOM 1066 N ARG A 97 4.314 0.285 13.713 1.00 0.00 N ATOM 1067 CA ARG A 97 3.006 0.800 13.194 1.00 0.00 C ATOM 1068 C ARG A 97 3.264 2.030 12.319 1.00 0.00 C ATOM 1069 O ARG A 97 2.706 3.086 12.529 1.00 0.00 O ATOM 1070 CB ARG A 97 2.106 1.165 14.381 1.00 0.00 C ATOM 1071 CG ARG A 97 1.756 -0.116 15.149 1.00 0.00 C ATOM 1072 CD ARG A 97 0.928 0.222 16.394 1.00 0.00 C ATOM 1073 NE ARG A 97 -0.382 0.798 15.976 1.00 0.00 N ATOM 1074 CZ ARG A 97 -1.222 1.244 16.872 1.00 0.00 C ATOM 1075 NH1 ARG A 97 -0.922 1.184 18.140 1.00 0.00 N ATOM 1076 NH2 ARG A 97 -2.366 1.746 16.496 1.00 0.00 N ATOM 0 H ARG A 97 4.869 0.970 14.226 1.00 0.00 H new ATOM 0 HA ARG A 97 2.509 0.038 12.594 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.615 1.871 15.037 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.198 1.654 14.029 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.196 -0.794 14.504 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.669 -0.635 15.441 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.769 -0.675 16.993 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.467 0.933 17.021 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.624 0.844 14.986 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.029 0.788 18.435 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.580 1.533 18.837 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.603 1.790 15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.024 2.095 17.193 1.00 0.00 H new ATOM 1090 N HIS A 98 4.112 1.889 11.337 1.00 0.00 N ATOM 1091 CA HIS A 98 4.424 3.032 10.436 1.00 0.00 C ATOM 1092 C HIS A 98 3.166 3.436 9.668 1.00 0.00 C ATOM 1093 O HIS A 98 2.888 4.603 9.489 1.00 0.00 O ATOM 1094 CB HIS A 98 5.504 2.607 9.440 1.00 0.00 C ATOM 1095 CG HIS A 98 5.880 3.774 8.569 1.00 0.00 C ATOM 1096 ND1 HIS A 98 6.602 4.854 9.054 1.00 0.00 N ATOM 1097 CD2 HIS A 98 5.646 4.044 7.243 1.00 0.00 C ATOM 1098 CE1 HIS A 98 6.774 5.716 8.034 1.00 0.00 C ATOM 1099 NE2 HIS A 98 6.212 5.270 6.908 1.00 0.00 N ATOM 0 H HIS A 98 4.605 1.023 11.120 1.00 0.00 H new ATOM 0 HA HIS A 98 4.777 3.876 11.028 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.381 2.242 9.974 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.141 1.784 8.825 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.105 3.402 6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.302 6.654 8.117 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.200 5.730 5.997 1.00 0.00 H new ATOM 1107 N ALA A 99 2.405 2.483 9.201 1.00 0.00 N ATOM 1108 CA ALA A 99 1.170 2.827 8.436 1.00 0.00 C ATOM 1109 C ALA A 99 0.131 1.719 8.597 1.00 0.00 C ATOM 1110 O ALA A 99 0.456 0.588 8.902 1.00 0.00 O ATOM 1111 CB ALA A 99 1.516 2.982 6.953 1.00 0.00 C ATOM 0 H ALA A 99 2.583 1.485 9.315 1.00 0.00 H new ATOM 0 HA ALA A 99 0.762 3.762 8.820 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.615 3.233 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.252 3.777 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.928 2.046 6.576 1.00 0.00 H new ATOM 1117 N GLU A 100 -1.121 2.041 8.392 1.00 0.00 N ATOM 1118 CA GLU A 100 -2.205 1.020 8.525 1.00 0.00 C ATOM 1119 C GLU A 100 -3.182 1.161 7.360 1.00 0.00 C ATOM 1120 O GLU A 100 -3.396 2.240 6.845 1.00 0.00 O ATOM 1121 CB GLU A 100 -2.953 1.245 9.841 1.00 0.00 C ATOM 1122 CG GLU A 100 -4.046 0.182 9.994 1.00 0.00 C ATOM 1123 CD GLU A 100 -4.748 0.360 11.339 1.00 0.00 C ATOM 1124 OE1 GLU A 100 -4.208 1.062 12.179 1.00 0.00 O ATOM 1125 OE2 GLU A 100 -5.813 -0.209 11.507 1.00 0.00 O ATOM 0 H GLU A 100 -1.441 2.975 8.136 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.768 0.021 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.259 1.192 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.395 2.241 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.767 0.268 9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.610 -0.815 9.929 1.00 0.00 H new ATOM 1132 N PHE A 101 -3.782 0.073 6.950 1.00 0.00 N ATOM 1133 CA PHE A 101 -4.765 0.111 5.823 1.00 0.00 C ATOM 1134 C PHE A 101 -6.158 -0.194 6.361 1.00 0.00 C ATOM 1135 O PHE A 101 -6.322 -0.997 7.255 1.00 0.00 O ATOM 1136 CB PHE A 101 -4.380 -0.941 4.786 1.00 0.00 C ATOM 1137 CG PHE A 101 -3.051 -0.572 4.176 1.00 0.00 C ATOM 1138 CD1 PHE A 101 -2.976 0.470 3.243 1.00 0.00 C ATOM 1139 CD2 PHE A 101 -1.893 -1.267 4.543 1.00 0.00 C ATOM 1140 CE1 PHE A 101 -1.744 0.815 2.677 1.00 0.00 C ATOM 1141 CE2 PHE A 101 -0.660 -0.923 3.976 1.00 0.00 C ATOM 1142 CZ PHE A 101 -0.585 0.119 3.044 1.00 0.00 C ATOM 0 H PHE A 101 -3.631 -0.852 7.353 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.760 1.099 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.319 -1.924 5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.145 -1.003 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.869 1.007 2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.951 -2.069 5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.686 1.618 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.233 -1.461 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.366 0.386 2.608 1.00 0.00 H new ATOM 1152 N ARG A 102 -7.165 0.442 5.819 1.00 0.00 N ATOM 1153 CA ARG A 102 -8.565 0.197 6.286 1.00 0.00 C ATOM 1154 C ARG A 102 -9.470 -0.007 5.076 1.00 0.00 C ATOM 1155 O ARG A 102 -9.362 0.681 4.083 1.00 0.00 O ATOM 1156 CB ARG A 102 -9.049 1.399 7.099 1.00 0.00 C ATOM 1157 CG ARG A 102 -10.455 1.119 7.634 1.00 0.00 C ATOM 1158 CD ARG A 102 -10.916 2.289 8.506 1.00 0.00 C ATOM 1159 NE ARG A 102 -12.207 1.930 9.161 1.00 0.00 N ATOM 1160 CZ ARG A 102 -12.781 2.764 9.985 1.00 0.00 C ATOM 1161 NH1 ARG A 102 -12.235 3.923 10.230 1.00 0.00 N ATOM 1162 NH2 ARG A 102 -13.905 2.439 10.563 1.00 0.00 N ATOM 0 H ARG A 102 -7.078 1.126 5.067 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.593 -0.694 6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.365 1.592 7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.057 2.294 6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.148 0.975 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.457 0.197 8.215 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.162 2.516 9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.039 3.185 7.898 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.643 1.029 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.358 4.179 9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.685 4.573 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.334 1.534 10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -14.354 3.090 11.207 1.00 0.00 H new ATOM 1176 N LEU A 103 -10.360 -0.956 5.152 1.00 0.00 N ATOM 1177 CA LEU A 103 -11.275 -1.220 4.004 1.00 0.00 C ATOM 1178 C LEU A 103 -12.533 -0.361 4.130 1.00 0.00 C ATOM 1179 O LEU A 103 -13.184 -0.338 5.155 1.00 0.00 O ATOM 1180 CB LEU A 103 -11.660 -2.704 4.002 1.00 0.00 C ATOM 1181 CG LEU A 103 -12.691 -2.987 2.896 1.00 0.00 C ATOM 1182 CD1 LEU A 103 -12.156 -2.517 1.537 1.00 0.00 C ATOM 1183 CD2 LEU A 103 -12.967 -4.491 2.844 1.00 0.00 C ATOM 0 H LEU A 103 -10.495 -1.562 5.961 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.770 -0.969 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.772 -3.317 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.072 -2.981 4.972 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.611 -2.446 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.896 -2.723 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.959 -1.446 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.232 -3.048 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.697 -4.700 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.041 -5.024 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.360 -4.822 3.805 1.00 0.00 H new ATOM 1195 N GLU A 104 -12.889 0.331 3.083 1.00 0.00 N ATOM 1196 CA GLU A 104 -14.116 1.174 3.122 1.00 0.00 C ATOM 1197 C GLU A 104 -14.433 1.656 1.703 1.00 0.00 C ATOM 1198 O GLU A 104 -13.576 1.678 0.844 1.00 0.00 O ATOM 1199 CB GLU A 104 -13.892 2.375 4.046 1.00 0.00 C ATOM 1200 CG GLU A 104 -15.184 3.195 4.143 1.00 0.00 C ATOM 1201 CD GLU A 104 -15.003 4.328 5.152 1.00 0.00 C ATOM 1202 OE1 GLU A 104 -13.873 4.574 5.540 1.00 0.00 O ATOM 1203 OE2 GLU A 104 -15.997 4.932 5.518 1.00 0.00 O ATOM 0 H GLU A 104 -12.381 0.349 2.199 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.953 0.590 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.590 2.034 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.083 2.996 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -15.441 3.604 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -16.011 2.553 4.447 1.00 0.00 H new ATOM 1210 N ASN A 105 -15.659 2.032 1.456 1.00 0.00 N ATOM 1211 CA ASN A 105 -16.057 2.513 0.097 1.00 0.00 C ATOM 1212 C ASN A 105 -15.794 1.411 -0.938 1.00 0.00 C ATOM 1213 O ASN A 105 -15.497 1.681 -2.082 1.00 0.00 O ATOM 1214 CB ASN A 105 -15.265 3.781 -0.261 1.00 0.00 C ATOM 1215 CG ASN A 105 -15.421 4.810 0.863 1.00 0.00 C ATOM 1216 OD1 ASN A 105 -16.523 5.108 1.276 1.00 0.00 O ATOM 1217 ND2 ASN A 105 -14.360 5.373 1.378 1.00 0.00 N ATOM 0 H ASN A 105 -16.412 2.027 2.144 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.120 2.753 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -14.212 3.538 -0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -15.626 4.196 -1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -14.459 6.061 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -13.433 5.125 1.033 1.00 0.00 H new ATOM 1224 N ASN A 106 -15.917 0.173 -0.540 1.00 0.00 N ATOM 1225 CA ASN A 106 -15.692 -0.963 -1.487 1.00 0.00 C ATOM 1226 C ASN A 106 -14.332 -0.800 -2.171 1.00 0.00 C ATOM 1227 O ASN A 106 -14.148 -1.183 -3.310 1.00 0.00 O ATOM 1228 CB ASN A 106 -16.805 -0.999 -2.539 1.00 0.00 C ATOM 1229 CG ASN A 106 -18.109 -1.452 -1.879 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -18.090 -2.030 -0.812 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -19.248 -1.217 -2.472 1.00 0.00 N ATOM 0 H ASN A 106 -16.166 -0.104 0.409 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.705 -1.900 -0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.933 -0.012 -2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.536 -1.680 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -20.121 -1.519 -2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -19.265 -0.731 -3.369 1.00 0.00 H new ATOM 1238 N GLU A 107 -13.375 -0.238 -1.480 1.00 0.00 N ATOM 1239 CA GLU A 107 -12.014 -0.047 -2.070 1.00 0.00 C ATOM 1240 C GLU A 107 -10.966 -0.256 -0.974 1.00 0.00 C ATOM 1241 O GLU A 107 -10.883 -1.310 -0.391 1.00 0.00 O ATOM 1242 CB GLU A 107 -11.885 1.379 -2.627 1.00 0.00 C ATOM 1243 CG GLU A 107 -12.767 1.550 -3.869 1.00 0.00 C ATOM 1244 CD GLU A 107 -12.253 0.645 -4.989 1.00 0.00 C ATOM 1245 OE1 GLU A 107 -11.096 0.262 -4.928 1.00 0.00 O ATOM 1246 OE2 GLU A 107 -13.027 0.344 -5.882 1.00 0.00 O ATOM 0 H GLU A 107 -13.478 0.100 -0.523 1.00 0.00 H new ATOM 0 HA GLU A 107 -11.861 -0.763 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.176 2.102 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.845 1.584 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.801 1.300 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -12.757 2.590 -4.194 1.00 0.00 H new ATOM 1253 N PHE A 108 -10.174 0.740 -0.693 1.00 0.00 N ATOM 1254 CA PHE A 108 -9.138 0.603 0.372 1.00 0.00 C ATOM 1255 C PHE A 108 -8.656 1.993 0.787 1.00 0.00 C ATOM 1256 O PHE A 108 -8.656 2.914 -0.003 1.00 0.00 O ATOM 1257 CB PHE A 108 -7.947 -0.198 -0.163 1.00 0.00 C ATOM 1258 CG PHE A 108 -8.317 -1.659 -0.258 1.00 0.00 C ATOM 1259 CD1 PHE A 108 -8.444 -2.423 0.909 1.00 0.00 C ATOM 1260 CD2 PHE A 108 -8.536 -2.251 -1.508 1.00 0.00 C ATOM 1261 CE1 PHE A 108 -8.784 -3.775 0.826 1.00 0.00 C ATOM 1262 CE2 PHE A 108 -8.876 -3.605 -1.591 1.00 0.00 C ATOM 1263 CZ PHE A 108 -9.000 -4.368 -0.422 1.00 0.00 C ATOM 0 H PHE A 108 -10.199 1.648 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.569 0.085 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -7.655 0.178 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -7.087 -0.073 0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.279 -1.966 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.442 -1.662 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.880 -4.363 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.043 -4.062 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.262 -5.414 -0.485 1.00 0.00 H new ATOM 1273 N ASN A 109 -8.231 2.150 2.016 1.00 0.00 N ATOM 1274 CA ASN A 109 -7.729 3.483 2.480 1.00 0.00 C ATOM 1275 C ASN A 109 -6.467 3.281 3.312 1.00 0.00 C ATOM 1276 O ASN A 109 -6.293 2.260 3.945 1.00 0.00 O ATOM 1277 CB ASN A 109 -8.790 4.164 3.344 1.00 0.00 C ATOM 1278 CG ASN A 109 -9.980 4.556 2.468 1.00 0.00 C ATOM 1279 OD1 ASN A 109 -9.820 4.851 1.302 1.00 0.00 O ATOM 1280 ND2 ASN A 109 -11.178 4.567 2.986 1.00 0.00 N ATOM 0 H ASN A 109 -8.209 1.412 2.720 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.511 4.107 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -9.114 3.492 4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.371 5.048 3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -11.980 4.824 2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -11.312 4.319 3.966 1.00 0.00 H new ATOM 1287 N VAL A 110 -5.590 4.252 3.317 1.00 0.00 N ATOM 1288 CA VAL A 110 -4.326 4.141 4.111 1.00 0.00 C ATOM 1289 C VAL A 110 -4.244 5.315 5.080 1.00 0.00 C ATOM 1290 O VAL A 110 -4.448 6.455 4.705 1.00 0.00 O ATOM 1291 CB VAL A 110 -3.125 4.161 3.165 1.00 0.00 C ATOM 1292 CG1 VAL A 110 -3.038 5.516 2.461 1.00 0.00 C ATOM 1293 CG2 VAL A 110 -1.844 3.915 3.964 1.00 0.00 C ATOM 0 H VAL A 110 -5.695 5.125 2.801 1.00 0.00 H new ATOM 0 HA VAL A 110 -4.320 3.206 4.671 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.245 3.378 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.180 5.522 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.949 5.687 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.923 6.305 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.987 3.929 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.728 4.696 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.903 2.944 4.456 1.00 0.00 H new ATOM 1303 N VAL A 111 -3.954 5.040 6.331 1.00 0.00 N ATOM 1304 CA VAL A 111 -3.857 6.129 7.354 1.00 0.00 C ATOM 1305 C VAL A 111 -2.505 6.040 8.060 1.00 0.00 C ATOM 1306 O VAL A 111 -2.089 4.988 8.504 1.00 0.00 O ATOM 1307 CB VAL A 111 -4.992 5.962 8.369 1.00 0.00 C ATOM 1308 CG1 VAL A 111 -4.768 6.899 9.561 1.00 0.00 C ATOM 1309 CG2 VAL A 111 -6.321 6.303 7.691 1.00 0.00 C ATOM 0 H VAL A 111 -3.779 4.101 6.688 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.943 7.103 6.873 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.012 4.933 8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.579 6.775 10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.819 6.658 10.040 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.746 7.932 9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.135 6.187 8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.294 7.333 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.481 5.632 6.847 1.00 0.00 H new ATOM 1319 N ASP A 112 -1.815 7.141 8.163 1.00 0.00 N ATOM 1320 CA ASP A 112 -0.484 7.139 8.834 1.00 0.00 C ATOM 1321 C ASP A 112 -0.655 7.438 10.326 1.00 0.00 C ATOM 1322 O ASP A 112 -1.529 8.184 10.719 1.00 0.00 O ATOM 1323 CB ASP A 112 0.386 8.221 8.201 1.00 0.00 C ATOM 1324 CG ASP A 112 0.681 7.851 6.747 1.00 0.00 C ATOM 1325 OD1 ASP A 112 0.446 6.709 6.388 1.00 0.00 O ATOM 1326 OD2 ASP A 112 1.132 8.718 6.018 1.00 0.00 O ATOM 0 H ASP A 112 -2.117 8.049 7.809 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.015 6.162 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -0.122 9.184 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.318 8.325 8.757 1.00 0.00 H new ATOM 1331 N VAL A 113 0.183 6.868 11.157 1.00 0.00 N ATOM 1332 CA VAL A 113 0.092 7.120 12.632 1.00 0.00 C ATOM 1333 C VAL A 113 1.493 7.423 13.169 1.00 0.00 C ATOM 1334 O VAL A 113 1.690 7.598 14.354 1.00 0.00 O ATOM 1335 CB VAL A 113 -0.469 5.872 13.324 1.00 0.00 C ATOM 1336 CG1 VAL A 113 -1.835 5.530 12.726 1.00 0.00 C ATOM 1337 CG2 VAL A 113 0.483 4.693 13.110 1.00 0.00 C ATOM 0 H VAL A 113 0.932 6.235 10.876 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.566 7.966 12.828 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.572 6.068 14.391 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.235 4.643 13.217 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.517 6.367 12.876 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.727 5.336 11.659 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.082 3.807 13.603 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.587 4.498 12.043 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.459 4.932 13.532 1.00 0.00 H new ATOM 1405 N THR A 119 3.508 8.096 5.951 1.00 0.00 N ATOM 1406 CA THR A 119 3.622 7.476 4.601 1.00 0.00 C ATOM 1407 C THR A 119 3.638 8.565 3.532 1.00 0.00 C ATOM 1408 O THR A 119 3.285 9.698 3.786 1.00 0.00 O ATOM 1409 CB THR A 119 2.429 6.548 4.370 1.00 0.00 C ATOM 1410 OG1 THR A 119 2.336 5.625 5.446 1.00 0.00 O ATOM 1411 CG2 THR A 119 2.615 5.787 3.059 1.00 0.00 C ATOM 0 HA THR A 119 4.548 6.904 4.541 1.00 0.00 H new ATOM 0 HB THR A 119 1.515 7.139 4.315 1.00 0.00 H new ATOM 0 HG1 THR A 119 1.411 5.590 5.768 1.00 0.00 H new ATOM 0 HG21 THR A 119 1.763 5.127 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.686 6.496 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.529 5.195 3.109 1.00 0.00 H new ATOM 1419 N TYR A 120 4.057 8.228 2.337 1.00 0.00 N ATOM 1420 CA TYR A 120 4.116 9.237 1.235 1.00 0.00 C ATOM 1421 C TYR A 120 3.365 8.703 0.015 1.00 0.00 C ATOM 1422 O TYR A 120 3.477 7.547 -0.335 1.00 0.00 O ATOM 1423 CB TYR A 120 5.586 9.464 0.868 1.00 0.00 C ATOM 1424 CG TYR A 120 6.422 9.465 2.127 1.00 0.00 C ATOM 1425 CD1 TYR A 120 6.723 8.252 2.761 1.00 0.00 C ATOM 1426 CD2 TYR A 120 6.893 10.669 2.664 1.00 0.00 C ATOM 1427 CE1 TYR A 120 7.499 8.244 3.926 1.00 0.00 C ATOM 1428 CE2 TYR A 120 7.670 10.660 3.829 1.00 0.00 C ATOM 1429 CZ TYR A 120 7.971 9.448 4.460 1.00 0.00 C ATOM 1430 OH TYR A 120 8.737 9.441 5.607 1.00 0.00 O ATOM 0 H TYR A 120 4.363 7.290 2.076 1.00 0.00 H new ATOM 0 HA TYR A 120 3.658 10.173 1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 120 5.929 8.681 0.191 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.699 10.412 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 120 6.356 7.323 2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 120 6.657 11.605 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.733 7.309 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.037 11.589 4.240 1.00 0.00 H new ATOM 0 HH TYR A 120 8.983 10.360 5.842 1.00 0.00 H new ATOM 1440 N VAL A 121 2.613 9.550 -0.642 1.00 0.00 N ATOM 1441 CA VAL A 121 1.857 9.122 -1.859 1.00 0.00 C ATOM 1442 C VAL A 121 2.176 10.091 -3.001 1.00 0.00 C ATOM 1443 O VAL A 121 2.181 11.292 -2.828 1.00 0.00 O ATOM 1444 CB VAL A 121 0.350 9.121 -1.563 1.00 0.00 C ATOM 1445 CG1 VAL A 121 -0.071 10.462 -0.956 1.00 0.00 C ATOM 1446 CG2 VAL A 121 -0.426 8.881 -2.860 1.00 0.00 C ATOM 0 H VAL A 121 2.489 10.529 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 121 2.151 8.112 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 121 0.130 8.325 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.141 10.448 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.474 10.628 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.154 11.265 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.495 8.880 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.197 9.673 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.139 7.918 -3.283 1.00 0.00 H new ATOM 1456 N ASN A 122 2.450 9.569 -4.164 1.00 0.00 N ATOM 1457 CA ASN A 122 2.779 10.437 -5.335 1.00 0.00 C ATOM 1458 C ASN A 122 3.817 11.493 -4.943 1.00 0.00 C ATOM 1459 O ASN A 122 4.388 11.459 -3.871 1.00 0.00 O ATOM 1460 CB ASN A 122 1.513 11.136 -5.829 1.00 0.00 C ATOM 1461 CG ASN A 122 0.549 10.102 -6.416 1.00 0.00 C ATOM 1462 OD1 ASN A 122 1.023 9.009 -6.950 1.00 0.00 O flip ATOM 1463 ND2 ASN A 122 -0.649 10.294 -6.395 1.00 0.00 N flip ATOM 0 H ASN A 122 2.461 8.568 -4.357 1.00 0.00 H new ATOM 0 HA ASN A 122 3.189 9.811 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 122 1.035 11.667 -5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 122 1.768 11.880 -6.584 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -1.022 11.147 -5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -1.283 9.602 -6.794 1.00 0.00 H new ATOM 1470 N ARG A 123 4.070 12.431 -5.817 1.00 0.00 N ATOM 1471 CA ARG A 123 5.071 13.492 -5.515 1.00 0.00 C ATOM 1472 C ARG A 123 4.566 14.342 -4.355 1.00 0.00 C ATOM 1473 O ARG A 123 5.325 15.039 -3.714 1.00 0.00 O ATOM 1474 CB ARG A 123 5.255 14.382 -6.751 1.00 0.00 C ATOM 1475 CG ARG A 123 6.353 15.420 -6.488 1.00 0.00 C ATOM 1476 CD ARG A 123 6.604 16.242 -7.762 1.00 0.00 C ATOM 1477 NE ARG A 123 5.390 17.048 -8.082 1.00 0.00 N ATOM 1478 CZ ARG A 123 5.333 17.743 -9.189 1.00 0.00 C ATOM 1479 NH1 ARG A 123 6.336 17.733 -10.024 1.00 0.00 N ATOM 1480 NH2 ARG A 123 4.268 18.450 -9.459 1.00 0.00 N ATOM 0 H ARG A 123 3.623 12.507 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 123 6.023 13.033 -5.248 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.519 13.771 -7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 123 4.318 14.884 -6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 123 6.057 16.078 -5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.272 14.922 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.462 16.899 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 123 6.843 15.579 -8.594 1.00 0.00 H new ATOM 0 HE ARG A 123 4.601 17.057 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 123 7.168 17.182 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 123 6.287 18.276 -10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 123 3.483 18.459 -8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 123 4.221 18.993 -10.321 1.00 0.00 H new ATOM 1494 N GLU A 124 3.285 14.296 -4.078 1.00 0.00 N ATOM 1495 CA GLU A 124 2.723 15.107 -2.961 1.00 0.00 C ATOM 1496 C GLU A 124 2.415 14.187 -1.757 1.00 0.00 C ATOM 1497 O GLU A 124 1.442 13.460 -1.774 1.00 0.00 O ATOM 1498 CB GLU A 124 1.429 15.772 -3.435 1.00 0.00 C ATOM 1499 CG GLU A 124 0.708 16.388 -2.233 1.00 0.00 C ATOM 1500 CD GLU A 124 -0.285 17.446 -2.708 1.00 0.00 C ATOM 1501 OE1 GLU A 124 -1.327 17.066 -3.214 1.00 0.00 O ATOM 1502 OE2 GLU A 124 0.016 18.619 -2.560 1.00 0.00 O ATOM 0 H GLU A 124 2.604 13.728 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 124 3.443 15.867 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.652 16.542 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.787 15.038 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 124 0.186 15.611 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.433 16.836 -1.554 1.00 0.00 H new ATOM 1509 N PRO A 125 3.227 14.208 -0.716 1.00 0.00 N ATOM 1510 CA PRO A 125 2.997 13.349 0.488 1.00 0.00 C ATOM 1511 C PRO A 125 1.851 13.867 1.367 1.00 0.00 C ATOM 1512 O PRO A 125 1.680 15.056 1.533 1.00 0.00 O ATOM 1513 CB PRO A 125 4.342 13.396 1.231 1.00 0.00 C ATOM 1514 CG PRO A 125 4.986 14.687 0.822 1.00 0.00 C ATOM 1515 CD PRO A 125 4.435 15.044 -0.564 1.00 0.00 C ATOM 0 HA PRO A 125 2.695 12.337 0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 125 4.195 13.356 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 125 4.967 12.544 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 125 4.761 15.475 1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 125 6.071 14.584 0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 125 4.193 16.105 -0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 125 5.164 14.832 -1.346 1.00 0.00 H new ATOM 1523 N VAL A 126 1.061 12.980 1.928 1.00 0.00 N ATOM 1524 CA VAL A 126 -0.077 13.420 2.798 1.00 0.00 C ATOM 1525 C VAL A 126 -0.200 12.507 4.020 1.00 0.00 C ATOM 1526 O VAL A 126 0.325 11.414 4.055 1.00 0.00 O ATOM 1527 CB VAL A 126 -1.376 13.377 1.988 1.00 0.00 C ATOM 1528 CG1 VAL A 126 -1.142 14.046 0.634 1.00 0.00 C ATOM 1529 CG2 VAL A 126 -1.807 11.920 1.770 1.00 0.00 C ATOM 0 H VAL A 126 1.156 11.970 1.820 1.00 0.00 H new ATOM 0 HA VAL A 126 0.110 14.437 3.142 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.161 13.903 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -2.063 14.019 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.839 15.082 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.357 13.515 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.732 11.896 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.027 11.387 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.969 11.440 2.735 1.00 0.00 H new ATOM 1539 N ASP A 127 -0.907 12.958 5.018 1.00 0.00 N ATOM 1540 CA ASP A 127 -1.095 12.138 6.247 1.00 0.00 C ATOM 1541 C ASP A 127 -1.937 10.899 5.901 1.00 0.00 C ATOM 1542 O ASP A 127 -1.700 9.820 6.405 1.00 0.00 O ATOM 1543 CB ASP A 127 -1.835 12.993 7.286 1.00 0.00 C ATOM 1544 CG ASP A 127 -0.831 13.852 8.062 1.00 0.00 C ATOM 1545 OD1 ASP A 127 0.312 13.920 7.640 1.00 0.00 O ATOM 1546 OD2 ASP A 127 -1.228 14.435 9.056 1.00 0.00 O ATOM 0 H ASP A 127 -1.367 13.868 5.035 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.132 11.817 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -2.567 13.631 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -2.386 12.351 7.973 1.00 0.00 H new ATOM 1551 N SER A 128 -2.924 11.045 5.057 1.00 0.00 N ATOM 1552 CA SER A 128 -3.777 9.871 4.698 1.00 0.00 C ATOM 1553 C SER A 128 -4.475 10.127 3.359 1.00 0.00 C ATOM 1554 O SER A 128 -4.603 11.255 2.927 1.00 0.00 O ATOM 1555 CB SER A 128 -4.830 9.661 5.788 1.00 0.00 C ATOM 1556 OG SER A 128 -5.540 10.873 6.000 1.00 0.00 O ATOM 0 H SER A 128 -3.177 11.922 4.602 1.00 0.00 H new ATOM 0 HA SER A 128 -3.152 8.982 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 128 -5.520 8.870 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.352 9.340 6.714 1.00 0.00 H new ATOM 0 HG SER A 128 -6.216 10.739 6.697 1.00 0.00 H new ATOM 1562 N ALA A 129 -4.933 9.095 2.698 1.00 0.00 N ATOM 1563 CA ALA A 129 -5.625 9.307 1.390 1.00 0.00 C ATOM 1564 C ALA A 129 -6.308 8.014 0.934 1.00 0.00 C ATOM 1565 O ALA A 129 -6.028 6.939 1.425 1.00 0.00 O ATOM 1566 CB ALA A 129 -4.609 9.755 0.330 1.00 0.00 C ATOM 0 H ALA A 129 -4.859 8.124 3.003 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.382 10.081 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.119 9.908 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.142 10.688 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.844 8.988 0.212 1.00 0.00 H new ATOM 1572 N VAL A 130 -7.203 8.122 -0.013 1.00 0.00 N ATOM 1573 CA VAL A 130 -7.917 6.917 -0.524 1.00 0.00 C ATOM 1574 C VAL A 130 -7.078 6.254 -1.621 1.00 0.00 C ATOM 1575 O VAL A 130 -6.607 6.900 -2.535 1.00 0.00 O ATOM 1576 CB VAL A 130 -9.266 7.346 -1.097 1.00 0.00 C ATOM 1577 CG1 VAL A 130 -9.953 6.149 -1.752 1.00 0.00 C ATOM 1578 CG2 VAL A 130 -10.144 7.880 0.035 1.00 0.00 C ATOM 0 H VAL A 130 -7.471 9.000 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.072 6.206 0.287 1.00 0.00 H new ATOM 0 HB VAL A 130 -9.113 8.124 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -10.915 6.460 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.326 5.765 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -10.109 5.367 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -11.109 8.188 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.294 7.098 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.656 8.735 0.502 1.00 0.00 H new ATOM 1588 N LEU A 131 -6.876 4.970 -1.524 1.00 0.00 N ATOM 1589 CA LEU A 131 -6.053 4.257 -2.544 1.00 0.00 C ATOM 1590 C LEU A 131 -6.861 4.017 -3.820 1.00 0.00 C ATOM 1591 O LEU A 131 -8.064 3.862 -3.791 1.00 0.00 O ATOM 1592 CB LEU A 131 -5.605 2.914 -1.966 1.00 0.00 C ATOM 1593 CG LEU A 131 -4.788 3.143 -0.688 1.00 0.00 C ATOM 1594 CD1 LEU A 131 -4.384 1.787 -0.099 1.00 0.00 C ATOM 1595 CD2 LEU A 131 -3.525 3.969 -1.001 1.00 0.00 C ATOM 0 H LEU A 131 -7.247 4.380 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 131 -5.187 4.870 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.474 2.294 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -5.006 2.374 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 131 -5.395 3.693 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -3.803 1.944 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -5.279 1.212 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -3.782 1.240 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -2.955 4.124 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.910 3.434 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.815 4.935 -1.415 1.00 0.00 H new ATOM 1607 N ALA A 132 -6.193 3.979 -4.945 1.00 0.00 N ATOM 1608 CA ALA A 132 -6.896 3.746 -6.242 1.00 0.00 C ATOM 1609 C ALA A 132 -5.975 2.962 -7.186 1.00 0.00 C ATOM 1610 O ALA A 132 -4.769 3.030 -7.090 1.00 0.00 O ATOM 1611 CB ALA A 132 -7.258 5.090 -6.871 1.00 0.00 C ATOM 0 H ALA A 132 -5.183 4.100 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 132 -7.807 3.173 -6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.771 4.922 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.912 5.643 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.349 5.665 -7.048 1.00 0.00 H new ATOM 1617 N ASN A 133 -6.545 2.208 -8.082 1.00 0.00 N ATOM 1618 CA ASN A 133 -5.729 1.387 -9.028 1.00 0.00 C ATOM 1619 C ASN A 133 -4.733 2.259 -9.801 1.00 0.00 C ATOM 1620 O ASN A 133 -5.067 3.309 -10.311 1.00 0.00 O ATOM 1621 CB ASN A 133 -6.677 0.694 -10.008 1.00 0.00 C ATOM 1622 CG ASN A 133 -5.906 -0.339 -10.830 1.00 0.00 C ATOM 1623 OD1 ASN A 133 -5.012 -0.989 -10.328 1.00 0.00 O ATOM 1624 ND2 ASN A 133 -6.220 -0.518 -12.082 1.00 0.00 N ATOM 0 H ASN A 133 -7.554 2.122 -8.203 1.00 0.00 H new ATOM 0 HA ASN A 133 -5.158 0.651 -8.461 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -7.487 0.208 -9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -7.134 1.431 -10.669 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -5.714 -1.205 -12.641 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -6.971 0.029 -12.503 1.00 0.00 H new ATOM 1631 N GLY A 134 -3.505 1.810 -9.895 1.00 0.00 N ATOM 1632 CA GLY A 134 -2.463 2.589 -10.631 1.00 0.00 C ATOM 1633 C GLY A 134 -1.816 3.581 -9.667 1.00 0.00 C ATOM 1634 O GLY A 134 -1.122 4.491 -10.070 1.00 0.00 O ATOM 0 H GLY A 134 -3.179 0.932 -9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -1.710 1.917 -11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.911 3.118 -11.472 1.00 0.00 H new ATOM 1638 N ASP A 135 -2.040 3.413 -8.390 1.00 0.00 N ATOM 1639 CA ASP A 135 -1.441 4.351 -7.393 1.00 0.00 C ATOM 1640 C ASP A 135 -0.071 3.843 -6.949 1.00 0.00 C ATOM 1641 O ASP A 135 0.272 2.695 -7.147 1.00 0.00 O ATOM 1642 CB ASP A 135 -2.370 4.462 -6.181 1.00 0.00 C ATOM 1643 CG ASP A 135 -3.566 5.357 -6.525 1.00 0.00 C ATOM 1644 OD1 ASP A 135 -3.565 5.931 -7.601 1.00 0.00 O ATOM 1645 OD2 ASP A 135 -4.459 5.456 -5.702 1.00 0.00 O ATOM 0 H ASP A 135 -2.612 2.667 -7.994 1.00 0.00 H new ATOM 0 HA ASP A 135 -1.319 5.332 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.718 3.472 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.827 4.876 -5.331 1.00 0.00 H new ATOM 1650 N GLU A 136 0.709 4.700 -6.340 1.00 0.00 N ATOM 1651 CA GLU A 136 2.067 4.303 -5.858 1.00 0.00 C ATOM 1652 C GLU A 136 2.149 4.527 -4.352 1.00 0.00 C ATOM 1653 O GLU A 136 1.764 5.564 -3.852 1.00 0.00 O ATOM 1654 CB GLU A 136 3.115 5.164 -6.562 1.00 0.00 C ATOM 1655 CG GLU A 136 3.161 4.774 -8.038 1.00 0.00 C ATOM 1656 CD GLU A 136 4.140 5.682 -8.780 1.00 0.00 C ATOM 1657 OE1 GLU A 136 4.719 6.544 -8.142 1.00 0.00 O ATOM 1658 OE2 GLU A 136 4.294 5.498 -9.977 1.00 0.00 O ATOM 0 H GLU A 136 0.459 5.671 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 136 2.249 3.251 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 136 2.867 6.220 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 136 4.093 5.019 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 136 3.467 3.733 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 136 2.167 4.858 -8.478 1.00 0.00 H new ATOM 1665 N VAL A 137 2.649 3.560 -3.627 1.00 0.00 N ATOM 1666 CA VAL A 137 2.769 3.697 -2.143 1.00 0.00 C ATOM 1667 C VAL A 137 4.224 3.480 -1.747 1.00 0.00 C ATOM 1668 O VAL A 137 4.852 2.528 -2.165 1.00 0.00 O ATOM 1669 CB VAL A 137 1.884 2.648 -1.464 1.00 0.00 C ATOM 1670 CG1 VAL A 137 2.187 2.606 0.036 1.00 0.00 C ATOM 1671 CG2 VAL A 137 0.416 3.021 -1.677 1.00 0.00 C ATOM 0 H VAL A 137 2.983 2.672 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 137 2.448 4.691 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 137 2.084 1.667 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.555 1.858 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.235 2.346 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.988 3.584 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.221 2.279 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.223 4.002 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.199 3.049 -2.745 1.00 0.00 H new ATOM 1681 N GLN A 138 4.760 4.357 -0.941 1.00 0.00 N ATOM 1682 CA GLN A 138 6.180 4.219 -0.496 1.00 0.00 C ATOM 1683 C GLN A 138 6.202 3.966 1.005 1.00 0.00 C ATOM 1684 O GLN A 138 5.742 4.778 1.782 1.00 0.00 O ATOM 1685 CB GLN A 138 6.927 5.516 -0.802 1.00 0.00 C ATOM 1686 CG GLN A 138 8.388 5.363 -0.382 1.00 0.00 C ATOM 1687 CD GLN A 138 9.175 6.605 -0.799 1.00 0.00 C ATOM 1688 OE1 GLN A 138 8.732 7.716 -0.596 1.00 0.00 O ATOM 1689 NE2 GLN A 138 10.333 6.459 -1.379 1.00 0.00 N ATOM 0 H GLN A 138 4.271 5.171 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 138 6.658 3.390 -1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 138 6.864 5.744 -1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 138 6.468 6.349 -0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 138 8.454 5.224 0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 138 8.819 4.475 -0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 138 10.704 5.524 -1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 138 10.868 7.280 -1.663 1.00 0.00 H new ATOM 1698 N ILE A 139 6.729 2.842 1.421 1.00 0.00 N ATOM 1699 CA ILE A 139 6.780 2.523 2.881 1.00 0.00 C ATOM 1700 C ILE A 139 8.231 2.544 3.361 1.00 0.00 C ATOM 1701 O ILE A 139 9.082 1.848 2.847 1.00 0.00 O ATOM 1702 CB ILE A 139 6.186 1.131 3.105 1.00 0.00 C ATOM 1703 CG1 ILE A 139 4.785 1.059 2.474 1.00 0.00 C ATOM 1704 CG2 ILE A 139 6.091 0.846 4.604 1.00 0.00 C ATOM 1705 CD1 ILE A 139 3.902 2.208 2.982 1.00 0.00 C ATOM 0 H ILE A 139 7.128 2.129 0.810 1.00 0.00 H new ATOM 0 HA ILE A 139 6.208 3.264 3.441 1.00 0.00 H new ATOM 0 HB ILE A 139 6.830 0.386 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 139 4.867 1.109 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.321 0.103 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 139 5.667 -0.146 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.086 0.889 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 139 5.451 1.592 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.915 2.139 2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 139 3.804 2.140 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 139 4.359 3.162 2.718 1.00 0.00 H new ATOM 1717 N GLY A 140 8.503 3.339 4.357 1.00 0.00 N ATOM 1718 CA GLY A 140 9.882 3.422 4.913 1.00 0.00 C ATOM 1719 C GLY A 140 10.912 3.527 3.788 1.00 0.00 C ATOM 1720 O GLY A 140 10.856 4.407 2.951 1.00 0.00 O ATOM 0 H GLY A 140 7.820 3.942 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 140 9.963 4.288 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 140 10.088 2.541 5.521 1.00 0.00 H new ATOM 1724 N LYS A 141 11.864 2.633 3.776 1.00 0.00 N ATOM 1725 CA LYS A 141 12.921 2.655 2.726 1.00 0.00 C ATOM 1726 C LYS A 141 12.528 1.679 1.619 1.00 0.00 C ATOM 1727 O LYS A 141 13.216 1.533 0.631 1.00 0.00 O ATOM 1728 CB LYS A 141 14.249 2.218 3.358 1.00 0.00 C ATOM 1729 CG LYS A 141 15.415 2.613 2.449 1.00 0.00 C ATOM 1730 CD LYS A 141 16.740 2.305 3.153 1.00 0.00 C ATOM 1731 CE LYS A 141 17.900 2.808 2.293 1.00 0.00 C ATOM 1732 NZ LYS A 141 17.986 1.992 1.048 1.00 0.00 N ATOM 0 H LYS A 141 11.954 1.880 4.458 1.00 0.00 H new ATOM 0 HA LYS A 141 13.029 3.656 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 141 14.366 2.683 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 141 14.249 1.139 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 141 15.356 2.068 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 141 15.358 3.674 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 141 16.764 2.784 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 141 16.835 1.232 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 141 17.752 3.858 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 141 18.835 2.741 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 18.899 2.167 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 17.907 0.983 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 17.212 2.256 0.406 1.00 0.00 H new ATOM 1746 N PHE A 142 11.422 1.003 1.789 1.00 0.00 N ATOM 1747 CA PHE A 142 10.968 0.019 0.761 1.00 0.00 C ATOM 1748 C PHE A 142 9.966 0.681 -0.184 1.00 0.00 C ATOM 1749 O PHE A 142 9.152 1.482 0.226 1.00 0.00 O ATOM 1750 CB PHE A 142 10.300 -1.165 1.464 1.00 0.00 C ATOM 1751 CG PHE A 142 11.359 -2.023 2.107 1.00 0.00 C ATOM 1752 CD1 PHE A 142 12.000 -3.015 1.358 1.00 0.00 C ATOM 1753 CD2 PHE A 142 11.703 -1.826 3.449 1.00 0.00 C ATOM 1754 CE1 PHE A 142 12.986 -3.810 1.949 1.00 0.00 C ATOM 1755 CE2 PHE A 142 12.690 -2.622 4.040 1.00 0.00 C ATOM 1756 CZ PHE A 142 13.331 -3.615 3.290 1.00 0.00 C ATOM 0 H PHE A 142 10.810 1.091 2.600 1.00 0.00 H new ATOM 0 HA PHE A 142 11.826 -0.328 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 142 9.598 -0.807 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 142 9.726 -1.752 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 142 11.733 -3.167 0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 142 11.207 -1.061 4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 142 13.482 -4.575 1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 142 12.958 -2.470 5.075 1.00 0.00 H new ATOM 0 HZ PHE A 142 14.092 -4.230 3.747 1.00 0.00 H new ATOM 1766 N ARG A 143 10.025 0.348 -1.449 1.00 0.00 N ATOM 1767 CA ARG A 143 9.083 0.950 -2.445 1.00 0.00 C ATOM 1768 C ARG A 143 8.050 -0.090 -2.878 1.00 0.00 C ATOM 1769 O ARG A 143 8.377 -1.219 -3.182 1.00 0.00 O ATOM 1770 CB ARG A 143 9.880 1.414 -3.662 1.00 0.00 C ATOM 1771 CG ARG A 143 10.787 2.575 -3.250 1.00 0.00 C ATOM 1772 CD ARG A 143 11.671 2.984 -4.429 1.00 0.00 C ATOM 1773 NE ARG A 143 10.811 3.503 -5.532 1.00 0.00 N ATOM 1774 CZ ARG A 143 11.338 3.824 -6.682 1.00 0.00 C ATOM 1775 NH1 ARG A 143 12.622 3.688 -6.876 1.00 0.00 N ATOM 1776 NH2 ARG A 143 10.579 4.280 -7.641 1.00 0.00 N ATOM 0 H ARG A 143 10.690 -0.320 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 143 8.566 1.797 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 143 10.477 0.592 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 143 9.204 1.728 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 143 10.184 3.422 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 143 11.407 2.281 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 143 12.383 3.748 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 143 12.252 2.130 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 143 9.807 3.607 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 143 13.216 3.330 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 143 13.031 3.940 -7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 143 9.576 4.385 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 143 10.989 4.531 -8.540 1.00 0.00 H new ATOM 1790 N LEU A 144 6.798 0.289 -2.908 1.00 0.00 N ATOM 1791 CA LEU A 144 5.724 -0.662 -3.323 1.00 0.00 C ATOM 1792 C LEU A 144 4.734 0.065 -4.222 1.00 0.00 C ATOM 1793 O LEU A 144 4.670 1.276 -4.231 1.00 0.00 O ATOM 1794 CB LEU A 144 4.986 -1.180 -2.085 1.00 0.00 C ATOM 1795 CG LEU A 144 5.940 -2.024 -1.201 1.00 0.00 C ATOM 1796 CD1 LEU A 144 6.584 -1.141 -0.123 1.00 0.00 C ATOM 1797 CD2 LEU A 144 5.156 -3.158 -0.524 1.00 0.00 C ATOM 0 H LEU A 144 6.472 1.223 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 144 6.170 -1.500 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 144 4.594 -0.341 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 144 4.132 -1.785 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 144 6.721 -2.445 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.252 -1.745 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 144 7.153 -0.342 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.806 -0.708 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.831 -3.748 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 144 4.368 -2.734 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 144 4.711 -3.798 -1.286 1.00 0.00 H new ATOM 1809 N VAL A 145 3.957 -0.672 -4.976 1.00 0.00 N ATOM 1810 CA VAL A 145 2.950 -0.039 -5.883 1.00 0.00 C ATOM 1811 C VAL A 145 1.565 -0.613 -5.578 1.00 0.00 C ATOM 1812 O VAL A 145 1.387 -1.810 -5.464 1.00 0.00 O ATOM 1813 CB VAL A 145 3.335 -0.322 -7.336 1.00 0.00 C ATOM 1814 CG1 VAL A 145 3.143 -1.807 -7.655 1.00 0.00 C ATOM 1815 CG2 VAL A 145 2.444 0.514 -8.253 1.00 0.00 C ATOM 0 H VAL A 145 3.977 -1.691 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 145 2.928 1.039 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 145 4.382 -0.063 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 145 3.420 -1.995 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 145 3.773 -2.405 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.099 -2.080 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 145 2.709 0.321 -9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 145 1.400 0.246 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.586 1.572 -8.033 1.00 0.00 H new ATOM 1825 N PHE A 146 0.588 0.244 -5.440 1.00 0.00 N ATOM 1826 CA PHE A 146 -0.795 -0.224 -5.133 1.00 0.00 C ATOM 1827 C PHE A 146 -1.544 -0.475 -6.440 1.00 0.00 C ATOM 1828 O PHE A 146 -1.757 0.431 -7.228 1.00 0.00 O ATOM 1829 CB PHE A 146 -1.516 0.863 -4.339 1.00 0.00 C ATOM 1830 CG PHE A 146 -2.940 0.438 -4.086 1.00 0.00 C ATOM 1831 CD1 PHE A 146 -3.257 -0.293 -2.937 1.00 0.00 C ATOM 1832 CD2 PHE A 146 -3.941 0.773 -5.001 1.00 0.00 C ATOM 1833 CE1 PHE A 146 -4.579 -0.690 -2.703 1.00 0.00 C ATOM 1834 CE2 PHE A 146 -5.263 0.378 -4.770 1.00 0.00 C ATOM 1835 CZ PHE A 146 -5.581 -0.353 -3.619 1.00 0.00 C ATOM 0 H PHE A 146 0.690 1.255 -5.527 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.757 -1.146 -4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.004 1.038 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -1.498 1.803 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -2.482 -0.551 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -3.694 1.338 -5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.825 -1.256 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -6.037 0.636 -5.478 1.00 0.00 H new ATOM 0 HZ PHE A 146 -6.601 -0.657 -3.438 1.00 0.00 H new ATOM 1845 N LEU A 147 -1.944 -1.701 -6.675 1.00 0.00 N ATOM 1846 CA LEU A 147 -2.676 -2.035 -7.937 1.00 0.00 C ATOM 1847 C LEU A 147 -3.881 -2.916 -7.627 1.00 0.00 C ATOM 1848 O LEU A 147 -3.990 -3.487 -6.559 1.00 0.00 O ATOM 1849 CB LEU A 147 -1.728 -2.780 -8.878 1.00 0.00 C ATOM 1850 CG LEU A 147 -0.590 -1.844 -9.310 1.00 0.00 C ATOM 1851 CD1 LEU A 147 0.448 -2.643 -10.104 1.00 0.00 C ATOM 1852 CD2 LEU A 147 -1.141 -0.693 -10.180 1.00 0.00 C ATOM 0 H LEU A 147 -1.794 -2.488 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 147 -3.024 -1.116 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -1.320 -3.659 -8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -2.273 -3.135 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 147 -0.124 -1.416 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 147 1.258 -1.982 -10.413 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.849 -3.441 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -0.023 -3.076 -10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -0.322 -0.038 -10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -1.618 -1.105 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -1.872 -0.122 -9.608 1.00 0.00 H new ATOM 1864 N THR A 148 -4.795 -3.020 -8.557 1.00 0.00 N ATOM 1865 CA THR A 148 -6.015 -3.854 -8.338 1.00 0.00 C ATOM 1866 C THR A 148 -6.325 -4.665 -9.599 1.00 0.00 C ATOM 1867 O THR A 148 -5.483 -4.852 -10.454 1.00 0.00 O ATOM 1868 CB THR A 148 -7.197 -2.939 -8.032 1.00 0.00 C ATOM 1869 OG1 THR A 148 -7.580 -2.253 -9.216 1.00 0.00 O ATOM 1870 CG2 THR A 148 -6.797 -1.923 -6.960 1.00 0.00 C ATOM 0 H THR A 148 -4.748 -2.559 -9.466 1.00 0.00 H new ATOM 0 HA THR A 148 -5.841 -4.534 -7.504 1.00 0.00 H new ATOM 0 HB THR A 148 -8.033 -3.536 -7.668 1.00 0.00 H new ATOM 0 HG1 THR A 148 -8.431 -1.791 -9.066 1.00 0.00 H new ATOM 0 HG21 THR A 148 -7.643 -1.271 -6.743 1.00 0.00 H new ATOM 0 HG22 THR A 148 -6.502 -2.449 -6.052 1.00 0.00 H new ATOM 0 HG23 THR A 148 -5.960 -1.324 -7.320 1.00 0.00 H new