USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 675 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 43 THR OG1 : rot -80:sc= -0.262 USER MOD Set 1.2: A 46 GLN : amide:sc= -2.37 K(o=-2.6,f=-4.9!) USER MOD Set 2.1: A 32 TYR OH : rot 150:sc= -0.193 USER MOD Set 2.2: A 115 MET CE :methyl -164:sc= -0.424 (180deg=-0.818) USER MOD Single : A 45 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.4!) USER MOD Single : A 54 MET CE :methyl -102:sc= -8.94! (180deg=-11.1!) USER MOD Single : A 57 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-4.5) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.163) USER MOD Single : A 103 MET CE :methyl -129:sc= -4.83! (180deg=-8.97!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.914 USER MOD Single : A 113 GLN : amide:sc= -0.994 K(o=-0.99,f=-10!) USER MOD Single : A 123 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.46) USER MOD Single : A 124 LYS NZ :NH3+ 176:sc= -0.521 (180deg=-0.568) USER MOD Single : A 128 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0306) USER MOD Single : A 129 THR OG1 : rot -70:sc= -0.565 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.408 12.362 9.073 1.00 0.00 N ATOM 508 CA ASP A 31 8.514 11.562 9.593 1.00 0.00 C ATOM 509 C ASP A 31 8.249 10.072 9.399 1.00 0.00 C ATOM 510 O ASP A 31 9.177 9.284 9.216 1.00 0.00 O ATOM 511 CB ASP A 31 8.734 11.863 11.076 1.00 0.00 C ATOM 512 CG ASP A 31 9.350 13.230 11.304 1.00 0.00 C ATOM 513 OD1 ASP A 31 10.594 13.336 11.256 1.00 0.00 O ATOM 514 OD2 ASP A 31 8.589 14.193 11.530 1.00 0.00 O ATOM 0 HA ASP A 31 9.413 11.827 9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.780 11.805 11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.382 11.099 11.507 1.00 0.00 H new ATOM 519 N TYR A 32 6.976 9.694 9.440 1.00 0.00 N ATOM 520 CA TYR A 32 6.582 8.300 9.269 1.00 0.00 C ATOM 521 C TYR A 32 5.708 8.134 8.033 1.00 0.00 C ATOM 522 O TYR A 32 5.289 9.116 7.421 1.00 0.00 O ATOM 523 CB TYR A 32 5.827 7.806 10.501 1.00 0.00 C ATOM 524 CG TYR A 32 6.727 7.355 11.627 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.760 6.452 11.403 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.536 7.829 12.917 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.577 6.035 12.437 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.349 7.416 13.956 1.00 0.00 C ATOM 529 CZ TYR A 32 8.367 6.519 13.711 1.00 0.00 C ATOM 530 OH TYR A 32 9.177 6.106 14.742 1.00 0.00 O ATOM 0 H TYR A 32 6.197 10.335 9.591 1.00 0.00 H new ATOM 0 HA TYR A 32 7.487 7.707 9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.180 8.605 10.863 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.180 6.978 10.211 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.927 6.071 10.406 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.740 8.532 13.112 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.376 5.333 12.248 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.188 7.794 14.955 1.00 0.00 H new ATOM 0 HH TYR A 32 9.247 6.821 15.409 1.00 0.00 H new ATOM 540 N GLY A 33 5.434 6.885 7.670 1.00 0.00 N ATOM 541 CA GLY A 33 4.609 6.623 6.508 1.00 0.00 C ATOM 542 C GLY A 33 3.966 5.250 6.537 1.00 0.00 C ATOM 543 O GLY A 33 4.629 4.252 6.820 1.00 0.00 O ATOM 0 H GLY A 33 5.767 6.054 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.830 7.382 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.218 6.714 5.609 1.00 0.00 H new ATOM 547 N LEU A 34 2.675 5.198 6.233 1.00 0.00 N ATOM 548 CA LEU A 34 1.946 3.935 6.210 1.00 0.00 C ATOM 549 C LEU A 34 1.979 3.344 4.807 1.00 0.00 C ATOM 550 O LEU A 34 1.392 3.898 3.878 1.00 0.00 O ATOM 551 CB LEU A 34 0.496 4.143 6.659 1.00 0.00 C ATOM 552 CG LEU A 34 -0.227 2.892 7.169 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.741 2.063 6.005 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.685 2.056 8.059 1.00 0.00 C ATOM 0 H LEU A 34 2.111 6.015 5.999 1.00 0.00 H new ATOM 0 HA LEU A 34 2.426 3.242 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.484 4.895 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.070 4.551 5.821 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.078 3.215 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.252 1.179 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.437 2.658 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.097 1.757 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.146 1.175 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.562 1.745 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.001 2.650 8.917 1.00 0.00 H new ATOM 566 N VAL A 35 2.681 2.229 4.655 1.00 0.00 N ATOM 567 CA VAL A 35 2.801 1.585 3.357 1.00 0.00 C ATOM 568 C VAL A 35 1.895 0.368 3.237 1.00 0.00 C ATOM 569 O VAL A 35 1.686 -0.369 4.202 1.00 0.00 O ATOM 570 CB VAL A 35 4.253 1.148 3.079 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.804 0.350 4.249 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.338 0.340 1.791 1.00 0.00 C ATOM 0 H VAL A 35 3.173 1.755 5.412 1.00 0.00 H new ATOM 0 HA VAL A 35 2.494 2.328 2.621 1.00 0.00 H new ATOM 0 HB VAL A 35 4.861 2.045 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.830 0.050 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.786 0.965 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.192 -0.538 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.372 0.043 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.714 -0.550 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.989 0.948 0.956 1.00 0.00 H new ATOM 582 N ALA A 36 1.383 0.155 2.033 1.00 0.00 N ATOM 583 CA ALA A 36 0.524 -0.981 1.753 1.00 0.00 C ATOM 584 C ALA A 36 1.342 -2.097 1.117 1.00 0.00 C ATOM 585 O ALA A 36 1.790 -1.973 -0.022 1.00 0.00 O ATOM 586 CB ALA A 36 -0.618 -0.568 0.838 1.00 0.00 C ATOM 0 H ALA A 36 1.551 0.761 1.230 1.00 0.00 H new ATOM 0 HA ALA A 36 0.097 -1.344 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.253 -1.431 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.207 0.212 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.213 -0.189 -0.101 1.00 0.00 H new ATOM 592 N LEU A 37 1.548 -3.176 1.866 1.00 0.00 N ATOM 593 CA LEU A 37 2.329 -4.311 1.382 1.00 0.00 C ATOM 594 C LEU A 37 1.526 -5.181 0.414 1.00 0.00 C ATOM 595 O LEU A 37 2.032 -6.182 -0.093 1.00 0.00 O ATOM 596 CB LEU A 37 2.808 -5.158 2.562 1.00 0.00 C ATOM 597 CG LEU A 37 3.446 -4.369 3.706 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.388 -5.163 5.001 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.884 -4.007 3.363 1.00 0.00 C ATOM 0 H LEU A 37 1.184 -3.289 2.812 1.00 0.00 H new ATOM 0 HA LEU A 37 3.188 -3.914 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.960 -5.718 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.530 -5.888 2.197 1.00 0.00 H new ATOM 0 HG LEU A 37 2.882 -3.447 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.847 -4.585 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.348 -5.372 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.927 -6.102 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.324 -3.446 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.459 -4.918 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.900 -3.398 2.459 1.00 0.00 H new ATOM 611 N GLU A 38 0.277 -4.801 0.160 1.00 0.00 N ATOM 612 CA GLU A 38 -0.577 -5.555 -0.747 1.00 0.00 C ATOM 613 C GLU A 38 -1.495 -4.621 -1.531 1.00 0.00 C ATOM 614 O GLU A 38 -1.906 -3.575 -1.027 1.00 0.00 O ATOM 615 CB GLU A 38 -1.408 -6.576 0.035 1.00 0.00 C ATOM 616 CG GLU A 38 -1.355 -7.978 -0.551 1.00 0.00 C ATOM 617 CD GLU A 38 -1.159 -9.046 0.506 1.00 0.00 C ATOM 618 OE1 GLU A 38 -1.781 -8.936 1.583 1.00 0.00 O ATOM 619 OE2 GLU A 38 -0.383 -9.992 0.257 1.00 0.00 O ATOM 0 H GLU A 38 -0.164 -3.977 0.569 1.00 0.00 H new ATOM 0 HA GLU A 38 0.060 -6.084 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.054 -6.608 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.445 -6.242 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.279 -8.176 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.542 -8.035 -1.274 1.00 0.00 H new ATOM 626 N PRO A 39 -1.827 -4.983 -2.782 1.00 0.00 N ATOM 627 CA PRO A 39 -2.696 -4.167 -3.633 1.00 0.00 C ATOM 628 C PRO A 39 -4.155 -4.216 -3.193 1.00 0.00 C ATOM 629 O PRO A 39 -4.696 -5.287 -2.920 1.00 0.00 O ATOM 630 CB PRO A 39 -2.534 -4.803 -5.014 1.00 0.00 C ATOM 631 CG PRO A 39 -2.184 -6.223 -4.736 1.00 0.00 C ATOM 632 CD PRO A 39 -1.378 -6.213 -3.464 1.00 0.00 C ATOM 0 HA PRO A 39 -2.426 -3.112 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.453 -4.728 -5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.752 -4.307 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.082 -6.831 -4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.610 -6.651 -5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.570 -7.100 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.307 -6.191 -3.667 1.00 0.00 H new ATOM 640 N ALA A 40 -4.788 -3.048 -3.125 1.00 0.00 N ATOM 641 CA ALA A 40 -6.184 -2.962 -2.716 1.00 0.00 C ATOM 642 C ALA A 40 -6.820 -1.657 -3.182 1.00 0.00 C ATOM 643 O ALA A 40 -6.139 -0.767 -3.689 1.00 0.00 O ATOM 644 CB ALA A 40 -6.299 -3.096 -1.206 1.00 0.00 C ATOM 0 H ALA A 40 -4.357 -2.151 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.723 -3.784 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.347 -3.030 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.895 -4.059 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.737 -2.295 -0.726 1.00 0.00 H new ATOM 650 N TRP A 41 -8.134 -1.554 -3.003 1.00 0.00 N ATOM 651 CA TRP A 41 -8.871 -0.362 -3.401 1.00 0.00 C ATOM 652 C TRP A 41 -9.321 0.429 -2.177 1.00 0.00 C ATOM 653 O TRP A 41 -10.221 0.005 -1.450 1.00 0.00 O ATOM 654 CB TRP A 41 -10.088 -0.748 -4.244 1.00 0.00 C ATOM 655 CG TRP A 41 -9.735 -1.208 -5.624 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.648 -0.835 -6.360 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.471 -2.130 -6.436 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.663 -1.467 -7.580 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.774 -2.267 -7.650 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.654 -2.851 -6.253 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.219 -3.097 -8.676 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -12.095 -3.676 -7.272 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.379 -3.793 -8.469 1.00 0.00 C ATOM 0 H TRP A 41 -8.710 -2.284 -2.584 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.207 0.265 -3.997 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.637 -1.540 -3.735 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.758 0.109 -4.315 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.886 -0.143 -6.031 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.962 -1.359 -8.313 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.214 -2.766 -5.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.669 -3.188 -9.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.007 -4.239 -7.142 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.750 -4.446 -9.245 1.00 0.00 H new ATOM 674 N ILE A 42 -8.693 1.578 -1.953 1.00 0.00 N ATOM 675 CA ILE A 42 -9.035 2.422 -0.815 1.00 0.00 C ATOM 676 C ILE A 42 -10.234 3.309 -1.132 1.00 0.00 C ATOM 677 O ILE A 42 -10.186 4.132 -2.047 1.00 0.00 O ATOM 678 CB ILE A 42 -7.851 3.314 -0.391 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.554 2.503 -0.358 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.123 3.943 0.967 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.564 1.386 0.663 1.00 0.00 C ATOM 0 H ILE A 42 -7.946 1.945 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.284 1.752 0.008 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.737 4.112 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.375 2.079 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.722 3.173 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.279 4.570 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -9.025 4.552 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.261 3.158 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.613 0.854 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.711 1.804 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.375 0.694 0.437 1.00 0.00 H new ATOM 693 N THR A 43 -11.311 3.133 -0.374 1.00 0.00 N ATOM 694 CA THR A 43 -12.524 3.915 -0.575 1.00 0.00 C ATOM 695 C THR A 43 -12.387 5.304 0.031 1.00 0.00 C ATOM 696 O THR A 43 -11.429 5.589 0.750 1.00 0.00 O ATOM 697 CB THR A 43 -13.723 3.199 0.045 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.328 2.456 1.185 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.410 2.250 -0.906 1.00 0.00 C ATOM 0 H THR A 43 -11.368 2.455 0.386 1.00 0.00 H new ATOM 0 HA THR A 43 -12.681 4.020 -1.648 1.00 0.00 H new ATOM 0 HB THR A 43 -14.425 3.989 0.312 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.927 1.609 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.252 1.776 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.771 2.802 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.704 1.486 -1.231 1.00 0.00 H new ATOM 707 N ALA A 44 -13.357 6.164 -0.260 1.00 0.00 N ATOM 708 CA ALA A 44 -13.351 7.523 0.261 1.00 0.00 C ATOM 709 C ALA A 44 -13.337 7.517 1.784 1.00 0.00 C ATOM 710 O ALA A 44 -12.597 8.276 2.411 1.00 0.00 O ATOM 711 CB ALA A 44 -14.555 8.294 -0.256 1.00 0.00 C ATOM 0 H ALA A 44 -14.156 5.943 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.445 8.019 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.536 9.308 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.523 8.331 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.470 7.796 0.063 1.00 0.00 H new ATOM 717 N GLN A 45 -14.160 6.656 2.375 1.00 0.00 N ATOM 718 CA GLN A 45 -14.255 6.541 3.800 1.00 0.00 C ATOM 719 C GLN A 45 -12.940 6.093 4.424 1.00 0.00 C ATOM 720 O GLN A 45 -12.540 6.597 5.462 1.00 0.00 O ATOM 721 CB GLN A 45 -15.350 5.541 4.104 1.00 0.00 C ATOM 722 CG GLN A 45 -16.530 6.154 4.810 1.00 0.00 C ATOM 723 CD GLN A 45 -16.678 5.678 6.242 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.126 4.647 6.626 1.00 0.00 O ATOM 725 NE2 GLN A 45 -17.425 6.431 7.041 1.00 0.00 N ATOM 0 H GLN A 45 -14.776 6.023 1.865 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.485 7.517 4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.687 5.086 3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.942 4.740 4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.427 7.239 4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.440 5.917 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -17.864 7.278 6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.560 6.162 8.016 1.00 0.00 H new ATOM 734 N GLN A 46 -12.270 5.143 3.792 1.00 0.00 N ATOM 735 CA GLN A 46 -11.008 4.639 4.320 1.00 0.00 C ATOM 736 C GLN A 46 -9.988 5.765 4.456 1.00 0.00 C ATOM 737 O GLN A 46 -9.174 5.768 5.379 1.00 0.00 O ATOM 738 CB GLN A 46 -10.459 3.527 3.422 1.00 0.00 C ATOM 739 CG GLN A 46 -10.820 2.130 3.904 1.00 0.00 C ATOM 740 CD GLN A 46 -11.086 1.168 2.763 1.00 0.00 C ATOM 741 OE1 GLN A 46 -12.215 0.720 2.564 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.043 0.843 2.009 1.00 0.00 N ATOM 0 H GLN A 46 -12.573 4.707 2.921 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.194 4.226 5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.841 3.665 2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.374 3.616 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.009 1.742 4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.704 2.186 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.125 1.239 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.160 0.198 1.228 1.00 0.00 H new ATOM 751 N ILE A 47 -10.037 6.718 3.535 1.00 0.00 N ATOM 752 CA ILE A 47 -9.115 7.847 3.561 1.00 0.00 C ATOM 753 C ILE A 47 -9.430 8.806 4.709 1.00 0.00 C ATOM 754 O ILE A 47 -8.546 9.171 5.483 1.00 0.00 O ATOM 755 CB ILE A 47 -9.145 8.627 2.231 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.988 7.672 1.046 1.00 0.00 C ATOM 757 CG2 ILE A 47 -8.051 9.684 2.213 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.577 8.206 -0.243 1.00 0.00 C ATOM 0 H ILE A 47 -10.703 6.733 2.763 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.119 7.431 3.711 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.110 9.126 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.929 7.466 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.466 6.723 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.085 10.226 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.205 10.381 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.079 9.203 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.429 7.477 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.644 8.386 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.082 9.140 -0.510 1.00 0.00 H new ATOM 770 N GLU A 48 -10.690 9.219 4.808 1.00 0.00 N ATOM 771 CA GLU A 48 -11.114 10.146 5.857 1.00 0.00 C ATOM 772 C GLU A 48 -11.408 9.420 7.168 1.00 0.00 C ATOM 773 O GLU A 48 -10.981 9.855 8.237 1.00 0.00 O ATOM 774 CB GLU A 48 -12.352 10.922 5.405 1.00 0.00 C ATOM 775 CG GLU A 48 -12.484 12.289 6.054 1.00 0.00 C ATOM 776 CD GLU A 48 -11.468 13.283 5.530 1.00 0.00 C ATOM 777 OE1 GLU A 48 -10.355 13.349 6.094 1.00 0.00 O ATOM 778 OE2 GLU A 48 -11.784 13.998 4.556 1.00 0.00 O ATOM 0 H GLU A 48 -11.436 8.928 4.176 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.293 10.840 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.318 11.045 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.242 10.334 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.488 12.675 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.365 12.188 7.133 1.00 0.00 H new ATOM 785 N ALA A 49 -12.147 8.319 7.078 1.00 0.00 N ATOM 786 CA ALA A 49 -12.508 7.535 8.259 1.00 0.00 C ATOM 787 C ALA A 49 -11.274 7.158 9.070 1.00 0.00 C ATOM 788 O ALA A 49 -11.248 7.316 10.291 1.00 0.00 O ATOM 789 CB ALA A 49 -13.282 6.284 7.855 1.00 0.00 C ATOM 0 H ALA A 49 -12.509 7.947 6.200 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.148 8.154 8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.542 5.713 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.193 6.573 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.665 5.670 7.199 1.00 0.00 H new ATOM 795 N ALA A 50 -10.250 6.662 8.385 1.00 0.00 N ATOM 796 CA ALA A 50 -9.011 6.266 9.043 1.00 0.00 C ATOM 797 C ALA A 50 -8.313 7.471 9.663 1.00 0.00 C ATOM 798 O ALA A 50 -7.801 7.398 10.780 1.00 0.00 O ATOM 799 CB ALA A 50 -8.088 5.567 8.055 1.00 0.00 C ATOM 0 H ALA A 50 -10.253 6.525 7.374 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.259 5.570 9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.167 5.277 8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.582 4.678 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.854 6.245 7.234 1.00 0.00 H new ATOM 805 N ARG A 51 -8.296 8.581 8.931 1.00 0.00 N ATOM 806 CA ARG A 51 -7.661 9.803 9.411 1.00 0.00 C ATOM 807 C ARG A 51 -8.307 10.279 10.708 1.00 0.00 C ATOM 808 O ARG A 51 -7.621 10.732 11.625 1.00 0.00 O ATOM 809 CB ARG A 51 -7.746 10.900 8.345 1.00 0.00 C ATOM 810 CG ARG A 51 -6.404 11.534 8.019 1.00 0.00 C ATOM 811 CD ARG A 51 -6.571 12.929 7.438 1.00 0.00 C ATOM 812 NE ARG A 51 -5.690 13.900 8.082 1.00 0.00 N ATOM 813 CZ ARG A 51 -5.363 15.074 7.547 1.00 0.00 C ATOM 814 NH1 ARG A 51 -5.840 15.427 6.359 1.00 0.00 N ATOM 815 NH2 ARG A 51 -4.557 15.900 8.201 1.00 0.00 N ATOM 0 H ARG A 51 -8.714 8.659 8.004 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.612 9.585 9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.170 10.478 7.434 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.432 11.675 8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.796 11.586 8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.867 10.905 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.362 12.904 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.607 13.248 7.553 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.303 13.664 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.461 14.797 5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.586 16.328 5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.188 15.635 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.307 16.800 7.791 1.00 0.00 H new ATOM 829 N VAL A 52 -9.630 10.171 10.780 1.00 0.00 N ATOM 830 CA VAL A 52 -10.368 10.588 11.965 1.00 0.00 C ATOM 831 C VAL A 52 -9.934 9.786 13.188 1.00 0.00 C ATOM 832 O VAL A 52 -9.924 10.298 14.309 1.00 0.00 O ATOM 833 CB VAL A 52 -11.888 10.422 11.768 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.648 10.927 12.986 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.344 11.142 10.507 1.00 0.00 C ATOM 0 H VAL A 52 -10.213 9.798 10.030 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.144 11.643 12.125 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.106 9.360 11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.719 10.800 12.825 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.344 10.360 13.866 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.427 11.983 13.141 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.419 11.014 10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.112 12.204 10.590 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.828 10.724 9.643 1.00 0.00 H new ATOM 845 N ALA A 53 -9.575 8.526 12.965 1.00 0.00 N ATOM 846 CA ALA A 53 -9.140 7.652 14.046 1.00 0.00 C ATOM 847 C ALA A 53 -7.705 7.960 14.460 1.00 0.00 C ATOM 848 O ALA A 53 -7.364 7.906 15.642 1.00 0.00 O ATOM 849 CB ALA A 53 -9.270 6.196 13.626 1.00 0.00 C ATOM 0 H ALA A 53 -9.577 8.088 12.044 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.783 7.831 14.908 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.942 5.551 14.442 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.311 5.978 13.387 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.650 6.014 12.748 1.00 0.00 H new ATOM 855 N MET A 54 -6.869 8.281 13.479 1.00 0.00 N ATOM 856 CA MET A 54 -5.469 8.597 13.740 1.00 0.00 C ATOM 857 C MET A 54 -5.331 9.945 14.440 1.00 0.00 C ATOM 858 O MET A 54 -4.611 10.069 15.431 1.00 0.00 O ATOM 859 CB MET A 54 -4.677 8.604 12.431 1.00 0.00 C ATOM 860 CG MET A 54 -4.672 7.260 11.723 1.00 0.00 C ATOM 861 SD MET A 54 -3.396 7.150 10.454 1.00 0.00 S ATOM 862 CE MET A 54 -4.246 7.890 9.064 1.00 0.00 C ATOM 0 H MET A 54 -7.136 8.329 12.496 1.00 0.00 H new ATOM 0 HA MET A 54 -5.066 7.828 14.399 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.098 9.356 11.764 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.649 8.901 12.638 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.519 6.468 12.456 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.648 7.090 11.268 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.592 7.106 8.390 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.101 8.463 9.423 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.564 8.552 8.531 1.00 0.00 H new ATOM 872 N VAL A 55 -6.023 10.954 13.920 1.00 0.00 N ATOM 873 CA VAL A 55 -5.975 12.294 14.496 1.00 0.00 C ATOM 874 C VAL A 55 -6.389 12.277 15.965 1.00 0.00 C ATOM 875 O VAL A 55 -5.805 12.977 16.792 1.00 0.00 O ATOM 876 CB VAL A 55 -6.890 13.268 13.729 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.752 14.682 14.277 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.580 13.233 12.240 1.00 0.00 C ATOM 0 H VAL A 55 -6.624 10.869 13.100 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.943 12.636 14.416 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.923 12.950 13.870 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.407 15.353 13.721 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.031 14.693 15.331 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.719 15.014 14.172 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.236 13.927 11.715 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.542 13.522 12.078 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.740 12.224 11.859 1.00 0.00 H new ATOM 888 N ARG A 56 -7.401 11.475 16.281 1.00 0.00 N ATOM 889 CA ARG A 56 -7.894 11.371 17.647 1.00 0.00 C ATOM 890 C ARG A 56 -6.943 10.552 18.516 1.00 0.00 C ATOM 891 O ARG A 56 -6.853 10.767 19.725 1.00 0.00 O ATOM 892 CB ARG A 56 -9.286 10.739 17.655 1.00 0.00 C ATOM 893 CG ARG A 56 -10.404 11.725 17.356 1.00 0.00 C ATOM 894 CD ARG A 56 -11.651 11.018 16.854 1.00 0.00 C ATOM 895 NE ARG A 56 -12.667 11.961 16.390 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.945 11.640 16.199 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.368 10.403 16.432 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.803 12.558 15.774 1.00 0.00 N ATOM 0 H ARG A 56 -7.895 10.888 15.608 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.952 12.377 18.063 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.315 9.935 16.919 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.464 10.285 18.630 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.643 12.290 18.257 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.067 12.444 16.609 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.383 10.345 16.040 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.065 10.403 17.653 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.380 12.921 16.201 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.713 9.693 16.759 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.348 10.163 16.284 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.484 13.510 15.594 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.782 12.312 15.628 1.00 0.00 H new ATOM 912 N HIS A 57 -6.238 9.613 17.895 1.00 0.00 N ATOM 913 CA HIS A 57 -5.298 8.761 18.617 1.00 0.00 C ATOM 914 C HIS A 57 -4.184 9.589 19.250 1.00 0.00 C ATOM 915 O HIS A 57 -3.913 9.468 20.446 1.00 0.00 O ATOM 916 CB HIS A 57 -4.698 7.713 17.678 1.00 0.00 C ATOM 917 CG HIS A 57 -4.163 6.510 18.391 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.892 5.804 19.324 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.963 5.889 18.306 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.163 4.802 19.783 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.989 4.831 19.181 1.00 0.00 N ATOM 0 H HIS A 57 -6.299 9.422 16.895 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.846 8.255 19.412 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.460 7.395 16.967 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.895 8.171 17.101 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.845 6.021 19.615 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.139 6.173 17.669 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.475 4.082 20.525 1.00 0.00 H new ATOM 930 N PHE A 58 -3.539 10.428 18.445 1.00 0.00 N ATOM 931 CA PHE A 58 -2.452 11.273 18.932 1.00 0.00 C ATOM 932 C PHE A 58 -2.899 12.097 20.136 1.00 0.00 C ATOM 933 O PHE A 58 -3.645 13.066 19.996 1.00 0.00 O ATOM 934 CB PHE A 58 -1.958 12.201 17.820 1.00 0.00 C ATOM 935 CG PHE A 58 -1.774 11.514 16.495 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.824 10.517 16.340 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.552 11.868 15.404 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.654 9.886 15.123 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.386 11.240 14.184 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.436 10.247 14.044 1.00 0.00 C ATOM 0 H PHE A 58 -3.749 10.541 17.453 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.634 10.623 19.242 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.668 13.019 17.699 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.010 12.645 18.124 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.209 10.230 17.180 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.296 12.643 15.508 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.090 9.111 15.016 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.998 11.525 13.341 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.305 9.754 13.092 1.00 0.00 H new ATOM 950 N ARG A 59 -2.437 11.703 21.320 1.00 0.00 N ATOM 951 CA ARG A 59 -2.792 12.403 22.550 1.00 0.00 C ATOM 952 C ARG A 59 -2.371 13.867 22.489 1.00 0.00 C ATOM 953 O ARG A 59 -3.092 14.751 22.950 1.00 0.00 O ATOM 954 CB ARG A 59 -2.138 11.724 23.755 1.00 0.00 C ATOM 955 CG ARG A 59 -2.568 10.278 23.945 1.00 0.00 C ATOM 956 CD ARG A 59 -3.127 10.039 25.339 1.00 0.00 C ATOM 957 NE ARG A 59 -4.171 9.016 25.343 1.00 0.00 N ATOM 958 CZ ARG A 59 -4.925 8.729 26.402 1.00 0.00 C ATOM 959 NH1 ARG A 59 -4.754 9.384 27.544 1.00 0.00 N ATOM 960 NH2 ARG A 59 -5.850 7.784 26.319 1.00 0.00 N ATOM 0 H ARG A 59 -1.817 10.904 21.453 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.876 12.361 22.659 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.055 11.760 23.638 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.381 12.288 24.656 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.322 10.021 23.201 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.716 9.619 23.776 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.320 9.736 26.006 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.532 10.972 25.732 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.331 8.491 24.483 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.042 10.111 27.613 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.335 9.160 28.352 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.984 7.277 25.444 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.428 7.564 27.130 1.00 0.00 H new ATOM 974 N ARG A 60 -1.200 14.115 21.915 1.00 0.00 N ATOM 975 CA ARG A 60 -0.682 15.473 21.793 1.00 0.00 C ATOM 976 C ARG A 60 -0.942 16.031 20.398 1.00 0.00 C ATOM 977 O ARG A 60 -0.148 16.810 19.872 1.00 0.00 O ATOM 978 CB ARG A 60 0.818 15.499 22.095 1.00 0.00 C ATOM 979 CG ARG A 60 1.140 15.488 23.580 1.00 0.00 C ATOM 980 CD ARG A 60 2.582 15.894 23.843 1.00 0.00 C ATOM 981 NE ARG A 60 2.689 17.283 24.283 1.00 0.00 N ATOM 982 CZ ARG A 60 2.437 17.688 25.526 1.00 0.00 C ATOM 983 NH1 ARG A 60 2.065 16.814 26.454 1.00 0.00 N ATOM 984 NH2 ARG A 60 2.558 18.970 25.842 1.00 0.00 N ATOM 0 H ARG A 60 -0.591 13.394 21.527 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.202 16.100 22.518 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.290 14.637 21.623 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.256 16.389 21.643 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.469 16.168 24.104 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.962 14.491 23.984 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.010 15.239 24.602 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.169 15.755 22.935 1.00 0.00 H new ATOM 0 HE ARG A 60 2.973 17.983 23.598 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.971 15.827 26.216 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.873 17.130 27.405 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.844 19.645 25.133 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.365 19.281 26.794 1.00 0.00 H new ATOM 998 N GLY A 61 -2.059 15.626 19.804 1.00 0.00 N ATOM 999 CA GLY A 61 -2.404 16.094 18.475 1.00 0.00 C ATOM 1000 C GLY A 61 -1.360 15.721 17.441 1.00 0.00 C ATOM 1001 O GLY A 61 -0.207 15.459 17.781 1.00 0.00 O ATOM 0 H GLY A 61 -2.732 14.982 20.219 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.366 15.674 18.183 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.522 17.177 18.494 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.765 15.697 16.175 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.842 15.353 15.110 1.00 0.00 C ATOM 1007 C GLY A 62 -1.424 15.602 13.733 1.00 0.00 C ATOM 1008 O GLY A 62 -2.643 15.603 13.557 1.00 0.00 O ATOM 0 H GLY A 62 -2.714 15.909 15.868 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.073 15.935 15.225 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.565 14.303 15.199 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.550 15.813 12.753 1.00 0.00 N ATOM 1013 CA LYS A 63 -0.983 16.066 11.383 1.00 0.00 C ATOM 1014 C LYS A 63 -0.601 14.905 10.471 1.00 0.00 C ATOM 1015 O LYS A 63 0.502 14.365 10.567 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.363 17.363 10.861 1.00 0.00 C ATOM 1017 CG LYS A 63 1.153 17.316 10.763 1.00 0.00 C ATOM 1018 CD LYS A 63 1.763 18.702 10.889 1.00 0.00 C ATOM 1019 CE LYS A 63 3.237 18.697 10.517 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.940 19.909 11.020 1.00 0.00 N ATOM 0 H LYS A 63 0.462 15.814 12.882 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.069 16.165 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.776 17.583 9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.651 18.184 11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.549 16.670 11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.443 16.875 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.226 19.397 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.646 19.061 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.712 17.806 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.338 18.642 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.942 19.868 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.503 20.759 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.866 19.948 12.057 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.517 14.525 9.586 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.273 13.427 8.656 1.00 0.00 C ATOM 1036 C ILE A 64 -1.270 13.919 7.214 1.00 0.00 C ATOM 1037 O ILE A 64 -2.061 14.787 6.842 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.328 12.311 8.794 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.783 12.166 10.249 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.769 10.994 8.280 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.807 11.070 10.453 1.00 0.00 C ATOM 0 H ILE A 64 -2.435 14.961 9.493 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.293 13.022 8.909 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.196 12.584 8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.914 11.962 10.875 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.204 13.113 10.586 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.523 10.214 8.383 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.497 11.099 7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.886 10.723 8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.085 11.023 11.506 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.692 11.283 9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.383 10.114 10.147 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.381 13.355 6.404 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.279 13.730 4.999 1.00 0.00 C ATOM 1055 C PHE A 65 -0.783 12.601 4.108 1.00 0.00 C ATOM 1056 O PHE A 65 -0.141 11.556 3.990 1.00 0.00 O ATOM 1057 CB PHE A 65 1.167 14.073 4.642 1.00 0.00 C ATOM 1058 CG PHE A 65 1.734 15.205 5.450 1.00 0.00 C ATOM 1059 CD1 PHE A 65 2.142 15.004 6.759 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.859 16.472 4.900 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.664 16.044 7.504 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.379 17.515 5.641 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.783 17.301 6.944 1.00 0.00 C ATOM 0 H PHE A 65 0.280 12.636 6.697 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.900 14.611 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.787 13.189 4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.220 14.331 3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.051 14.023 7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.546 16.645 3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.979 15.874 8.523 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.470 18.497 5.202 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.191 18.115 7.524 1.00 0.00 H new ATOM 1073 N ILE A 66 -1.936 12.813 3.484 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.526 11.808 2.608 1.00 0.00 C ATOM 1075 C ILE A 66 -2.259 12.132 1.142 1.00 0.00 C ATOM 1076 O ILE A 66 -2.341 13.289 0.727 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.050 11.684 2.823 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.410 11.914 4.294 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.537 10.318 2.365 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.685 10.988 5.246 1.00 0.00 C ATOM 0 H ILE A 66 -2.481 13.671 3.568 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.055 10.859 2.864 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.545 12.450 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.180 12.946 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.485 11.784 4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.613 10.244 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.315 10.189 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.032 9.541 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.989 11.208 6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.934 9.954 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.609 11.134 5.147 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.940 11.104 0.363 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.661 11.280 -1.057 1.00 0.00 C ATOM 1094 C ARG A 67 -2.470 10.297 -1.899 1.00 0.00 C ATOM 1095 O ARG A 67 -2.058 9.919 -2.996 1.00 0.00 O ATOM 1096 CB ARG A 67 -0.166 11.096 -1.331 1.00 0.00 C ATOM 1097 CG ARG A 67 0.419 12.157 -2.250 1.00 0.00 C ATOM 1098 CD ARG A 67 0.828 13.401 -1.478 1.00 0.00 C ATOM 1099 NE ARG A 67 -0.097 14.510 -1.696 1.00 0.00 N ATOM 1100 CZ ARG A 67 -0.058 15.654 -1.016 1.00 0.00 C ATOM 1101 NH1 ARG A 67 0.857 15.842 -0.073 1.00 0.00 N ATOM 1102 NH2 ARG A 67 -0.937 16.611 -1.278 1.00 0.00 N ATOM 0 H ARG A 67 -1.868 10.141 0.691 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.953 12.293 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.373 11.110 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.005 10.114 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.285 11.750 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.314 12.425 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.871 13.169 -0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.831 13.701 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.816 14.402 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.535 15.108 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.883 16.720 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.643 16.471 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.907 17.487 -0.757 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.624 9.887 -1.380 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.489 8.951 -2.088 1.00 0.00 C ATOM 1118 C ILE A 68 -5.872 9.550 -2.325 1.00 0.00 C ATOM 1119 O ILE A 68 -6.482 10.107 -1.414 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.639 7.625 -1.313 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.305 7.866 0.042 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.281 6.962 -1.131 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.505 6.602 0.848 1.00 0.00 C ATOM 0 H ILE A 68 -3.981 10.188 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.015 8.749 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.276 6.956 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.696 8.563 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.272 8.343 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.403 6.028 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.843 6.755 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.623 7.628 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.982 6.847 1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.139 5.912 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.539 6.135 1.038 1.00 0.00 H new ATOM 1135 N PHE A 69 -6.359 9.432 -3.555 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.669 9.963 -3.910 1.00 0.00 C ATOM 1137 C PHE A 69 -8.437 8.974 -4.788 1.00 0.00 C ATOM 1138 O PHE A 69 -7.894 8.455 -5.764 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.518 11.300 -4.638 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.926 12.485 -3.811 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -9.262 12.719 -3.524 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -6.974 13.364 -3.318 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -9.640 13.809 -2.762 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -7.347 14.454 -2.557 1.00 0.00 C ATOM 1145 CZ PHE A 69 -8.681 14.677 -2.278 1.00 0.00 C ATOM 0 H PHE A 69 -5.867 8.974 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.234 10.119 -2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.479 11.422 -4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.118 11.279 -5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.016 12.043 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.929 13.194 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.684 13.981 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.596 15.132 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.974 15.529 -1.682 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.713 8.697 -4.458 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.539 7.765 -5.232 1.00 0.00 C ATOM 1157 C PRO A 70 -10.755 8.244 -6.664 1.00 0.00 C ATOM 1158 O PRO A 70 -11.539 9.161 -6.910 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.874 7.735 -4.472 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.569 8.286 -3.121 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.449 9.264 -3.317 1.00 0.00 C ATOM 0 HA PRO A 70 -10.068 6.786 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.630 8.334 -4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.265 6.720 -4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.444 8.775 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.278 7.493 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.821 10.266 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.821 9.342 -2.430 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.395 4.429 -5.999 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.377 3.987 -5.054 1.00 0.00 C ATOM 1541 C VAL A 94 -9.974 4.292 -5.570 1.00 0.00 C ATOM 1542 O VAL A 94 -9.785 4.576 -6.753 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.488 2.477 -4.776 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.707 2.180 -3.917 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.542 1.696 -6.080 1.00 0.00 C ATOM 0 HA VAL A 94 -11.548 4.536 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.601 2.161 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.769 1.108 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.621 2.708 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.607 2.511 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.620 0.631 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.410 2.013 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.635 1.884 -6.654 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.994 4.228 -4.675 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.608 4.493 -5.037 1.00 0.00 C ATOM 1557 C ALA A 95 -6.797 3.202 -5.070 1.00 0.00 C ATOM 1558 O ALA A 95 -6.493 2.623 -4.028 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.988 5.485 -4.063 1.00 0.00 C ATOM 0 H ALA A 95 -9.135 3.994 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.594 4.928 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.952 5.674 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.548 6.420 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.019 5.073 -3.054 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.453 2.755 -6.273 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.680 1.529 -6.439 1.00 0.00 C ATOM 1567 C VAL A 96 -4.269 1.688 -5.887 1.00 0.00 C ATOM 1568 O VAL A 96 -3.581 2.666 -6.180 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.597 1.107 -7.919 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.088 -0.321 -8.035 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.951 1.254 -8.596 1.00 0.00 C ATOM 0 H VAL A 96 -6.697 3.222 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.201 0.753 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.892 1.765 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.035 -0.604 -9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.095 -0.391 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.768 -0.993 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.871 0.951 -9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.681 0.622 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.273 2.294 -8.544 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.846 0.720 -5.080 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.518 0.749 -4.479 1.00 0.00 C ATOM 1583 C VAL A 97 -1.755 -0.542 -4.763 1.00 0.00 C ATOM 1584 O VAL A 97 -2.349 -1.561 -5.114 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.600 0.955 -2.954 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.226 1.258 -2.383 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.582 2.065 -2.613 1.00 0.00 C ATOM 0 H VAL A 97 -4.405 -0.095 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.986 1.588 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.962 0.032 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.303 1.401 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.554 0.426 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.833 2.165 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.624 2.194 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.255 2.996 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.572 1.802 -2.986 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.435 -0.491 -4.605 1.00 0.00 N ATOM 1598 CA LYS A 98 0.412 -1.657 -4.835 1.00 0.00 C ATOM 1599 C LYS A 98 1.368 -1.868 -3.661 1.00 0.00 C ATOM 1600 O LYS A 98 1.653 -0.936 -2.911 1.00 0.00 O ATOM 1601 CB LYS A 98 1.207 -1.490 -6.132 1.00 0.00 C ATOM 1602 CG LYS A 98 2.067 -0.236 -6.163 1.00 0.00 C ATOM 1603 CD LYS A 98 2.043 0.424 -7.533 1.00 0.00 C ATOM 1604 CE LYS A 98 2.588 -0.500 -8.610 1.00 0.00 C ATOM 1605 NZ LYS A 98 1.515 -0.982 -9.523 1.00 0.00 N ATOM 0 H LYS A 98 0.071 0.347 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.230 -2.533 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.846 -2.362 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.514 -1.466 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.711 0.469 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.093 -0.491 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.021 0.710 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.633 1.340 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.348 0.025 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.077 -1.354 -8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.941 -1.330 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.990 -1.754 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.864 -0.200 -9.737 1.00 0.00 H new ATOM 1619 N PRO A 99 1.883 -3.099 -3.485 1.00 0.00 N ATOM 1620 CA PRO A 99 2.813 -3.411 -2.394 1.00 0.00 C ATOM 1621 C PRO A 99 3.981 -2.434 -2.337 1.00 0.00 C ATOM 1622 O PRO A 99 4.765 -2.333 -3.281 1.00 0.00 O ATOM 1623 CB PRO A 99 3.304 -4.818 -2.735 1.00 0.00 C ATOM 1624 CG PRO A 99 2.214 -5.413 -3.558 1.00 0.00 C ATOM 1625 CD PRO A 99 1.607 -4.273 -4.332 1.00 0.00 C ATOM 0 HA PRO A 99 2.336 -3.341 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.244 -4.786 -3.287 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.483 -5.404 -1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.606 -6.176 -4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.468 -5.896 -2.927 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.059 -4.172 -5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.537 -4.416 -4.485 1.00 0.00 H new ATOM 1633 N GLY A 100 4.085 -1.712 -1.228 1.00 0.00 N ATOM 1634 CA GLY A 100 5.154 -0.746 -1.072 1.00 0.00 C ATOM 1635 C GLY A 100 4.707 0.660 -1.421 1.00 0.00 C ATOM 1636 O GLY A 100 5.492 1.461 -1.927 1.00 0.00 O ATOM 0 H GLY A 100 3.448 -1.779 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.514 -0.767 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.993 -1.028 -1.709 1.00 0.00 H new ATOM 1640 N ARG A 101 3.435 0.957 -1.163 1.00 0.00 N ATOM 1641 CA ARG A 101 2.881 2.273 -1.468 1.00 0.00 C ATOM 1642 C ARG A 101 2.572 3.064 -0.198 1.00 0.00 C ATOM 1643 O ARG A 101 1.730 2.662 0.605 1.00 0.00 O ATOM 1644 CB ARG A 101 1.607 2.124 -2.302 1.00 0.00 C ATOM 1645 CG ARG A 101 1.791 2.478 -3.766 1.00 0.00 C ATOM 1646 CD ARG A 101 2.016 3.969 -3.947 1.00 0.00 C ATOM 1647 NE ARG A 101 1.465 4.460 -5.208 1.00 0.00 N ATOM 1648 CZ ARG A 101 0.179 4.751 -5.392 1.00 0.00 C ATOM 1649 NH1 ARG A 101 -0.692 4.600 -4.402 1.00 0.00 N ATOM 1650 NH2 ARG A 101 -0.238 5.196 -6.569 1.00 0.00 N ATOM 0 H ARG A 101 2.771 0.306 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 101 3.632 2.824 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.253 1.096 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.830 2.760 -1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.640 1.928 -4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.911 2.169 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.557 4.507 -3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.085 4.181 -3.912 1.00 0.00 H new ATOM 0 HE ARG A 101 2.103 4.587 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.377 4.259 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.676 4.825 -4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.426 5.315 -7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.223 5.419 -6.710 1.00 0.00 H new ATOM 1664 N VAL A 102 3.245 4.199 -0.034 1.00 0.00 N ATOM 1665 CA VAL A 102 3.031 5.056 1.126 1.00 0.00 C ATOM 1666 C VAL A 102 1.796 5.930 0.920 1.00 0.00 C ATOM 1667 O VAL A 102 1.833 6.902 0.165 1.00 0.00 O ATOM 1668 CB VAL A 102 4.251 5.960 1.396 1.00 0.00 C ATOM 1669 CG1 VAL A 102 4.104 6.676 2.730 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.542 5.151 1.356 1.00 0.00 C ATOM 0 H VAL A 102 3.944 4.546 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 102 2.884 4.405 1.988 1.00 0.00 H new ATOM 0 HB VAL A 102 4.298 6.713 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.975 7.308 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.205 7.292 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.026 5.941 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.390 5.809 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.507 4.372 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.654 4.693 0.373 1.00 0.00 H new ATOM 1680 N MET A 103 0.699 5.569 1.579 1.00 0.00 N ATOM 1681 CA MET A 103 -0.552 6.311 1.448 1.00 0.00 C ATOM 1682 C MET A 103 -0.747 7.311 2.587 1.00 0.00 C ATOM 1683 O MET A 103 -1.394 8.343 2.409 1.00 0.00 O ATOM 1684 CB MET A 103 -1.736 5.344 1.400 1.00 0.00 C ATOM 1685 CG MET A 103 -1.696 4.278 2.483 1.00 0.00 C ATOM 1686 SD MET A 103 -1.143 2.677 1.864 1.00 0.00 S ATOM 1687 CE MET A 103 -2.167 1.571 2.828 1.00 0.00 C ATOM 0 H MET A 103 0.650 4.768 2.209 1.00 0.00 H new ATOM 0 HA MET A 103 -0.500 6.874 0.516 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.662 5.912 1.495 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.758 4.858 0.424 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.031 4.603 3.283 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.689 4.171 2.919 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.541 0.813 3.299 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.691 2.138 3.598 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.894 1.087 2.176 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.197 7.003 3.757 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.330 7.884 4.914 1.00 0.00 C ATOM 1699 C PHE A 104 1.035 8.268 5.474 1.00 0.00 C ATOM 1700 O PHE A 104 2.006 7.530 5.321 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.163 7.211 6.006 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.635 7.173 5.709 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.177 6.152 4.945 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.476 8.158 6.201 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.532 6.114 4.676 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.831 8.125 5.937 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.361 7.102 5.173 1.00 0.00 C ATOM 0 H PHE A 104 0.343 6.155 3.930 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.836 8.791 4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.804 6.192 6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.005 7.738 6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.533 5.377 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.067 8.960 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.943 5.314 4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.476 8.898 6.327 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.420 7.075 4.965 1.00 0.00 H new ATOM 1717 N GLU A 105 1.093 9.426 6.127 1.00 0.00 N ATOM 1718 CA GLU A 105 2.336 9.916 6.717 1.00 0.00 C ATOM 1719 C GLU A 105 2.044 10.862 7.878 1.00 0.00 C ATOM 1720 O GLU A 105 1.250 11.794 7.747 1.00 0.00 O ATOM 1721 CB GLU A 105 3.178 10.639 5.664 1.00 0.00 C ATOM 1722 CG GLU A 105 3.670 9.736 4.544 1.00 0.00 C ATOM 1723 CD GLU A 105 2.725 9.712 3.359 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.503 10.783 2.755 1.00 0.00 O ATOM 1725 OE2 GLU A 105 2.207 8.623 3.034 1.00 0.00 O ATOM 0 H GLU A 105 0.292 10.043 6.261 1.00 0.00 H new ATOM 0 HA GLU A 105 2.894 9.058 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.588 11.448 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.038 11.098 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.652 10.074 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.794 8.723 4.926 1.00 0.00 H new ATOM 1732 N VAL A 106 2.694 10.624 9.014 1.00 0.00 N ATOM 1733 CA VAL A 106 2.502 11.464 10.193 1.00 0.00 C ATOM 1734 C VAL A 106 3.813 12.106 10.630 1.00 0.00 C ATOM 1735 O VAL A 106 4.894 11.572 10.376 1.00 0.00 O ATOM 1736 CB VAL A 106 1.915 10.665 11.373 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.533 10.135 11.024 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.848 9.531 11.773 1.00 0.00 C ATOM 0 H VAL A 106 3.356 9.859 9.143 1.00 0.00 H new ATOM 0 HA VAL A 106 1.794 12.243 9.909 1.00 0.00 H new ATOM 0 HB VAL A 106 1.816 11.335 12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.135 9.574 11.869 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.130 10.970 10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.603 9.481 10.155 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.414 8.980 12.608 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.986 8.858 10.927 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.813 9.942 12.072 1.00 0.00 H new ATOM 1748 N ALA A 107 3.713 13.256 11.289 1.00 0.00 N ATOM 1749 CA ALA A 107 4.891 13.972 11.761 1.00 0.00 C ATOM 1750 C ALA A 107 4.589 14.749 13.037 1.00 0.00 C ATOM 1751 O ALA A 107 3.499 15.301 13.196 1.00 0.00 O ATOM 1752 CB ALA A 107 5.407 14.910 10.678 1.00 0.00 C ATOM 0 H ALA A 107 2.827 13.712 11.508 1.00 0.00 H new ATOM 0 HA ALA A 107 5.664 13.238 11.990 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.287 15.439 11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.672 14.332 9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.631 15.631 10.421 1.00 0.00 H new ATOM 1758 N GLY A 108 5.559 14.791 13.944 1.00 0.00 N ATOM 1759 CA GLY A 108 5.377 15.504 15.194 1.00 0.00 C ATOM 1760 C GLY A 108 4.935 14.598 16.326 1.00 0.00 C ATOM 1761 O GLY A 108 5.188 14.889 17.495 1.00 0.00 O ATOM 0 H GLY A 108 6.469 14.343 13.835 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.312 15.992 15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.636 16.291 15.054 1.00 0.00 H new ATOM 1765 N VAL A 109 4.273 13.498 15.981 1.00 0.00 N ATOM 1766 CA VAL A 109 3.797 12.551 16.983 1.00 0.00 C ATOM 1767 C VAL A 109 4.875 11.534 17.339 1.00 0.00 C ATOM 1768 O VAL A 109 5.763 11.248 16.536 1.00 0.00 O ATOM 1769 CB VAL A 109 2.536 11.807 16.502 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.399 12.789 16.269 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.830 11.002 15.241 1.00 0.00 C ATOM 0 H VAL A 109 4.055 13.241 15.018 1.00 0.00 H new ATOM 0 HA VAL A 109 3.547 13.132 17.871 1.00 0.00 H new ATOM 0 HB VAL A 109 2.230 11.108 17.280 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.515 12.249 15.930 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.171 13.309 17.199 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.694 13.514 15.511 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.925 10.485 14.920 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.164 11.674 14.450 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.611 10.271 15.450 1.00 0.00 H new ATOM 1781 N THR A 110 4.793 10.990 18.549 1.00 0.00 N ATOM 1782 CA THR A 110 5.762 10.005 19.013 1.00 0.00 C ATOM 1783 C THR A 110 5.646 8.710 18.218 1.00 0.00 C ATOM 1784 O THR A 110 4.665 8.490 17.509 1.00 0.00 O ATOM 1785 CB THR A 110 5.560 9.723 20.502 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.310 9.097 20.729 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.613 10.968 21.360 1.00 0.00 C ATOM 0 H THR A 110 4.064 11.215 19.226 1.00 0.00 H new ATOM 0 HA THR A 110 6.760 10.415 18.860 1.00 0.00 H new ATOM 0 HB THR A 110 6.386 9.071 20.786 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.200 8.923 21.687 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.462 10.697 22.405 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.585 11.447 21.246 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.829 11.659 21.048 1.00 0.00 H new ATOM 1795 N GLU A 111 6.657 7.855 18.339 1.00 0.00 N ATOM 1796 CA GLU A 111 6.671 6.580 17.630 1.00 0.00 C ATOM 1797 C GLU A 111 5.476 5.718 18.029 1.00 0.00 C ATOM 1798 O GLU A 111 4.864 5.062 17.187 1.00 0.00 O ATOM 1799 CB GLU A 111 7.974 5.830 17.916 1.00 0.00 C ATOM 1800 CG GLU A 111 8.067 4.481 17.222 1.00 0.00 C ATOM 1801 CD GLU A 111 9.412 3.811 17.424 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.438 4.413 17.044 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.438 2.685 17.964 1.00 0.00 O ATOM 0 H GLU A 111 7.477 8.022 18.922 1.00 0.00 H new ATOM 0 HA GLU A 111 6.604 6.787 16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.815 6.449 17.603 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.070 5.683 18.992 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.280 3.828 17.599 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.888 4.613 16.155 1.00 0.00 H new ATOM 1810 N GLU A 112 5.153 5.722 19.319 1.00 0.00 N ATOM 1811 CA GLU A 112 4.034 4.937 19.828 1.00 0.00 C ATOM 1812 C GLU A 112 2.712 5.421 19.241 1.00 0.00 C ATOM 1813 O GLU A 112 1.886 4.621 18.804 1.00 0.00 O ATOM 1814 CB GLU A 112 3.984 5.015 21.354 1.00 0.00 C ATOM 1815 CG GLU A 112 3.531 3.723 22.014 1.00 0.00 C ATOM 1816 CD GLU A 112 3.416 3.847 23.521 1.00 0.00 C ATOM 1817 OE1 GLU A 112 4.446 4.116 24.175 1.00 0.00 O ATOM 1818 OE2 GLU A 112 2.296 3.675 24.048 1.00 0.00 O ATOM 0 H GLU A 112 5.650 6.259 20.030 1.00 0.00 H new ATOM 0 HA GLU A 112 4.185 3.901 19.526 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.973 5.277 21.729 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.309 5.819 21.647 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.566 3.428 21.603 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.237 2.929 21.771 1.00 0.00 H new ATOM 1825 N GLN A 113 2.516 6.736 19.235 1.00 0.00 N ATOM 1826 CA GLN A 113 1.292 7.323 18.702 1.00 0.00 C ATOM 1827 C GLN A 113 1.290 7.288 17.177 1.00 0.00 C ATOM 1828 O GLN A 113 0.251 7.079 16.551 1.00 0.00 O ATOM 1829 CB GLN A 113 1.138 8.764 19.192 1.00 0.00 C ATOM 1830 CG GLN A 113 1.121 8.892 20.707 1.00 0.00 C ATOM 1831 CD GLN A 113 0.616 10.244 21.172 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -0.143 10.337 22.137 1.00 0.00 O ATOM 1833 NE2 GLN A 113 1.036 11.302 20.487 1.00 0.00 N ATOM 0 H GLN A 113 3.188 7.414 19.593 1.00 0.00 H new ATOM 0 HA GLN A 113 0.449 6.732 19.061 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.956 9.364 18.794 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.214 9.179 18.790 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.490 8.109 21.127 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.128 8.732 21.093 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.665 11.179 19.694 1.00 0.00 H new ATOM 0 HE22 GLN A 113 0.729 12.237 20.755 1.00 0.00 H new ATOM 1842 N ALA A 114 2.461 7.498 16.586 1.00 0.00 N ATOM 1843 CA ALA A 114 2.597 7.496 15.136 1.00 0.00 C ATOM 1844 C ALA A 114 2.459 6.088 14.566 1.00 0.00 C ATOM 1845 O ALA A 114 1.720 5.866 13.606 1.00 0.00 O ATOM 1846 CB ALA A 114 3.935 8.095 14.738 1.00 0.00 C ATOM 0 H ALA A 114 3.330 7.672 17.090 1.00 0.00 H new ATOM 0 HA ALA A 114 1.793 8.104 14.721 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.028 8.089 13.652 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.997 9.121 15.102 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.742 7.506 15.174 1.00 0.00 H new ATOM 1852 N MET A 115 3.173 5.139 15.161 1.00 0.00 N ATOM 1853 CA MET A 115 3.128 3.753 14.709 1.00 0.00 C ATOM 1854 C MET A 115 1.727 3.177 14.872 1.00 0.00 C ATOM 1855 O MET A 115 1.190 2.557 13.954 1.00 0.00 O ATOM 1856 CB MET A 115 4.138 2.908 15.485 1.00 0.00 C ATOM 1857 CG MET A 115 5.586 3.232 15.150 1.00 0.00 C ATOM 1858 SD MET A 115 6.410 1.904 14.249 1.00 0.00 S ATOM 1859 CE MET A 115 7.572 2.838 13.258 1.00 0.00 C ATOM 0 H MET A 115 3.789 5.304 15.957 1.00 0.00 H new ATOM 0 HA MET A 115 3.389 3.731 13.651 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.979 3.056 16.553 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.953 1.854 15.278 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.621 4.145 14.555 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.131 3.432 16.072 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.951 2.209 12.453 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.071 3.708 12.833 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.402 3.167 13.884 1.00 0.00 H new ATOM 1869 N GLU A 116 1.137 3.387 16.044 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.204 2.892 16.320 1.00 0.00 C ATOM 1871 C GLU A 116 -1.221 3.557 15.400 1.00 0.00 C ATOM 1872 O GLU A 116 -2.047 2.885 14.782 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.577 3.144 17.782 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.575 2.140 18.337 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.370 1.870 19.814 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.236 2.066 20.302 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.342 1.462 20.484 1.00 0.00 O ATOM 0 H GLU A 116 1.567 3.896 16.816 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.215 1.818 16.135 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.328 3.118 18.389 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.994 4.147 17.874 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.587 2.512 18.177 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.488 1.204 17.785 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.151 4.882 15.309 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.063 5.637 14.459 1.00 0.00 C ATOM 1886 C ALA A 117 -1.992 5.149 13.016 1.00 0.00 C ATOM 1887 O ALA A 117 -3.017 4.882 12.388 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.741 7.123 14.530 1.00 0.00 C ATOM 0 H ALA A 117 -0.473 5.453 15.813 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.078 5.478 14.822 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.430 7.675 13.891 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.844 7.469 15.558 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.718 7.290 14.192 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.775 5.021 12.501 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.570 4.553 11.136 1.00 0.00 C ATOM 1896 C LEU A 118 -1.121 3.140 10.970 1.00 0.00 C ATOM 1897 O LEU A 118 -1.578 2.762 9.891 1.00 0.00 O ATOM 1898 CB LEU A 118 0.922 4.580 10.783 1.00 0.00 C ATOM 1899 CG LEU A 118 1.418 5.837 10.053 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.562 7.051 10.390 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.874 6.106 10.401 1.00 0.00 C ATOM 0 H LEU A 118 0.084 5.235 13.008 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.104 5.219 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.495 4.469 11.704 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.144 3.712 10.162 1.00 0.00 H new ATOM 0 HG LEU A 118 1.334 5.657 8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.941 7.923 9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.469 6.863 10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.601 7.237 11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.214 6.999 9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.969 6.257 11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.484 5.254 10.099 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.078 2.367 12.051 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.576 0.997 12.032 1.00 0.00 C ATOM 1915 C ARG A 119 -3.101 0.978 12.029 1.00 0.00 C ATOM 1916 O ARG A 119 -3.721 0.176 11.331 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.040 0.221 13.237 1.00 0.00 C ATOM 1918 CG ARG A 119 -0.358 -1.087 12.864 1.00 0.00 C ATOM 1919 CD ARG A 119 0.998 -1.224 13.536 1.00 0.00 C ATOM 1920 NE ARG A 119 1.914 -2.056 12.758 1.00 0.00 N ATOM 1921 CZ ARG A 119 3.205 -2.204 13.043 1.00 0.00 C ATOM 1922 NH1 ARG A 119 3.738 -1.581 14.088 1.00 0.00 N ATOM 1923 NH2 ARG A 119 3.967 -2.980 12.284 1.00 0.00 N ATOM 0 H ARG A 119 -0.703 2.667 12.951 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.224 0.517 11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.332 0.849 13.778 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.864 0.010 13.919 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.994 -1.924 13.152 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -0.235 -1.138 11.782 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.435 -0.235 13.674 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.869 -1.657 14.528 1.00 0.00 H new ATOM 0 HE ARG A 119 1.541 -2.552 11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 119 3.157 -0.985 14.677 1.00 0.00 H new ATOM 0 HH12 ARG A 119 4.729 -1.699 14.301 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.563 -3.463 11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 119 4.957 -3.093 12.503 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.703 1.873 12.811 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.157 1.961 12.892 1.00 0.00 C ATOM 1939 C ILE A 120 -5.761 2.176 11.507 1.00 0.00 C ATOM 1940 O ILE A 120 -6.805 1.610 11.179 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.600 3.107 13.828 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.097 2.853 15.250 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.116 3.257 13.823 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -4.918 4.117 16.062 1.00 0.00 C ATOM 0 H ILE A 120 -3.206 2.545 13.396 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.517 1.017 13.302 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.164 4.036 13.460 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.800 2.197 15.764 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.145 2.324 15.201 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.403 4.070 14.490 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.456 3.479 12.812 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.575 2.329 14.164 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.559 3.861 17.059 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.193 4.765 15.571 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.873 4.636 16.142 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.093 2.990 10.696 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.560 3.270 9.345 1.00 0.00 C ATOM 1958 C ALA A 121 -5.563 2.000 8.503 1.00 0.00 C ATOM 1959 O ALA A 121 -6.500 1.746 7.746 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.690 4.335 8.695 1.00 0.00 C ATOM 0 H ALA A 121 -4.228 3.466 10.951 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.582 3.644 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.051 4.534 7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.736 5.251 9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.659 3.984 8.649 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.509 1.202 8.647 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.407 -0.037 7.898 1.00 0.00 C ATOM 1968 C GLY A 122 -5.300 -1.128 8.458 1.00 0.00 C ATOM 1969 O GLY A 122 -5.642 -2.080 7.756 1.00 0.00 O ATOM 0 H GLY A 122 -3.724 1.392 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.673 0.148 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.372 -0.379 7.906 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.679 -0.992 9.726 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.538 -1.975 10.376 1.00 0.00 C ATOM 1975 C HIS A 123 -7.855 -2.127 9.623 1.00 0.00 C ATOM 1976 O HIS A 123 -8.364 -3.237 9.459 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.812 -1.568 11.825 1.00 0.00 C ATOM 1978 CG HIS A 123 -7.020 -2.732 12.744 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -6.307 -3.909 12.642 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -7.866 -2.897 13.787 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -6.708 -4.746 13.582 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -7.652 -4.157 14.290 1.00 0.00 N ATOM 0 H HIS A 123 -5.405 -0.211 10.322 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.020 -2.934 10.367 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.976 -0.972 12.191 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.695 -0.930 11.854 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -8.577 -2.173 14.155 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.327 -5.744 13.743 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -8.143 -4.570 15.083 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.401 -1.007 9.162 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.658 -1.018 8.422 1.00 0.00 C ATOM 1993 C LYS A 124 -9.420 -1.216 6.925 1.00 0.00 C ATOM 1994 O LYS A 124 -10.368 -1.246 6.139 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.426 0.285 8.659 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.577 1.534 8.491 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.202 2.139 9.834 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.234 3.159 10.291 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.823 3.837 11.552 1.00 0.00 N ATOM 0 H LYS A 124 -7.993 -0.080 9.287 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.251 -1.857 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.267 0.332 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.843 0.273 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.672 1.288 7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.123 2.269 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.115 1.348 10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.225 2.616 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.379 3.904 9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.193 2.663 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.519 4.571 11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.775 3.139 12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.889 4.275 11.422 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.156 -1.355 6.534 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.810 -1.556 5.131 1.00 0.00 C ATOM 2015 C LEU A 125 -7.919 -3.030 4.755 1.00 0.00 C ATOM 2016 O LEU A 125 -7.770 -3.909 5.605 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.392 -1.051 4.850 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.245 0.469 4.762 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.799 0.851 4.483 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.161 1.034 3.689 1.00 0.00 C ATOM 0 H LEU A 125 -7.357 -1.332 7.167 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.514 -0.987 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.731 -1.419 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.048 -1.488 3.913 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.535 0.897 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.714 1.936 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.163 0.481 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.482 0.410 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.042 2.116 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.903 0.598 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.196 0.793 3.931 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.182 -3.322 3.470 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.315 -4.691 2.981 1.00 0.00 C ATOM 2034 C PRO A 126 -6.977 -5.310 2.579 1.00 0.00 C ATOM 2035 O PRO A 126 -6.934 -6.251 1.786 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.212 -4.515 1.760 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.860 -3.166 1.223 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.381 -2.337 2.391 1.00 0.00 C ATOM 0 HA PRO A 126 -8.710 -5.366 3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.032 -5.295 1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.266 -4.571 2.032 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.084 -3.244 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.725 -2.702 0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.456 -1.812 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.114 -1.581 2.671 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.887 -4.779 3.127 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.555 -5.285 2.820 1.00 0.00 C ATOM 2048 C ILE A 127 -3.596 -5.060 3.984 1.00 0.00 C ATOM 2049 O ILE A 127 -3.900 -4.314 4.916 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.978 -4.620 1.556 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.159 -3.103 1.620 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.643 -5.187 0.312 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.243 -2.425 2.615 1.00 0.00 C ATOM 0 H ILE A 127 -5.901 -4.000 3.785 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.659 -6.355 2.643 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.911 -4.835 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.982 -2.682 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.194 -2.880 1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.226 -4.708 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.465 -6.261 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.716 -4.999 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.427 -1.351 2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.436 -2.818 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.205 -2.617 2.344 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.439 -5.711 3.925 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.435 -5.585 4.976 1.00 0.00 C ATOM 2067 C LYS A 128 -0.642 -4.290 4.824 1.00 0.00 C ATOM 2068 O LYS A 128 -0.253 -3.913 3.719 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.487 -6.786 4.948 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.696 -7.752 6.103 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.126 -7.202 7.400 1.00 0.00 C ATOM 2072 CE LYS A 128 0.404 -8.313 8.292 1.00 0.00 C ATOM 2073 NZ LYS A 128 -0.668 -9.267 8.686 1.00 0.00 N ATOM 0 H LYS A 128 -2.173 -6.331 3.160 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.951 -5.559 5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.620 -7.322 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.542 -6.427 4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.761 -7.948 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.222 -8.706 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.677 -6.499 7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.898 -6.645 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 128 1.195 -8.851 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.850 -7.879 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -0.299 -9.928 9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -1.472 -8.741 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.983 -9.799 7.850 1.00 0.00 H new ATOM 2087 N THR A 129 -0.403 -3.617 5.945 1.00 0.00 N ATOM 2088 CA THR A 129 0.348 -2.367 5.945 1.00 0.00 C ATOM 2089 C THR A 129 1.300 -2.311 7.135 1.00 0.00 C ATOM 2090 O THR A 129 1.068 -2.957 8.157 1.00 0.00 O ATOM 2091 CB THR A 129 -0.606 -1.172 5.986 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.192 -1.042 7.269 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.729 -1.263 4.976 1.00 0.00 C ATOM 0 H THR A 129 -0.719 -3.917 6.867 1.00 0.00 H new ATOM 0 HA THR A 129 0.933 -2.322 5.027 1.00 0.00 H new ATOM 0 HB THR A 129 0.009 -0.306 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.822 -1.778 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.367 -0.383 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.311 -1.313 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.319 -2.159 5.168 1.00 0.00 H new ATOM 2101 N LYS A 130 2.374 -1.539 6.999 1.00 0.00 N ATOM 2102 CA LYS A 130 3.355 -1.411 8.071 1.00 0.00 C ATOM 2103 C LYS A 130 3.849 0.027 8.200 1.00 0.00 C ATOM 2104 O LYS A 130 3.781 0.806 7.249 1.00 0.00 O ATOM 2105 CB LYS A 130 4.540 -2.344 7.816 1.00 0.00 C ATOM 2106 CG LYS A 130 5.161 -2.175 6.440 1.00 0.00 C ATOM 2107 CD LYS A 130 6.571 -2.741 6.391 1.00 0.00 C ATOM 2108 CE LYS A 130 7.392 -2.095 5.286 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.840 -2.415 5.410 1.00 0.00 N ATOM 0 H LYS A 130 2.586 -0.996 6.162 1.00 0.00 H new ATOM 0 HA LYS A 130 2.868 -1.691 9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.302 -2.165 8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.211 -3.376 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.541 -2.675 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.183 -1.117 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.062 -2.582 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.527 -3.818 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.027 -2.435 4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.255 -1.014 5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.364 -1.956 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.195 -2.068 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.974 -3.445 5.355 1.00 0.00 H new ATOM 2123 N ILE A 131 4.352 0.370 9.383 1.00 0.00 N ATOM 2124 CA ILE A 131 4.869 1.711 9.635 1.00 0.00 C ATOM 2125 C ILE A 131 6.318 1.817 9.177 1.00 0.00 C ATOM 2126 O ILE A 131 7.107 0.895 9.381 1.00 0.00 O ATOM 2127 CB ILE A 131 4.801 2.090 11.132 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.585 1.448 11.806 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.768 3.604 11.294 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.272 1.772 11.131 1.00 0.00 C ATOM 0 H ILE A 131 4.412 -0.262 10.181 1.00 0.00 H new ATOM 0 HA ILE A 131 4.239 2.399 9.071 1.00 0.00 H new ATOM 0 HB ILE A 131 5.697 1.707 11.622 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.718 0.366 11.821 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.540 1.778 12.844 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.720 3.856 12.353 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.669 4.036 10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.891 4.005 10.786 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.458 1.282 11.665 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.115 2.851 11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.295 1.417 10.101 1.00 0.00 H new ATOM 2142 N VAL A 132 6.668 2.939 8.561 1.00 0.00 N ATOM 2143 CA VAL A 132 8.029 3.139 8.084 1.00 0.00 C ATOM 2144 C VAL A 132 8.434 4.608 8.107 1.00 0.00 C ATOM 2145 O VAL A 132 7.718 5.472 7.602 1.00 0.00 O ATOM 2146 CB VAL A 132 8.213 2.605 6.650 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.664 1.194 6.525 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.551 3.533 5.644 1.00 0.00 C ATOM 0 H VAL A 132 6.034 3.718 8.381 1.00 0.00 H new ATOM 0 HA VAL A 132 8.668 2.581 8.768 1.00 0.00 H new ATOM 0 HB VAL A 132 9.281 2.572 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.805 0.838 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.192 0.536 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.601 1.195 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.692 3.139 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.485 3.603 5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.001 4.524 5.712 1.00 0.00 H new ATOM 2158 N ARG A 133 9.600 4.873 8.674 1.00 0.00 N ATOM 2159 CA ARG A 133 10.133 6.225 8.743 1.00 0.00 C ATOM 2160 C ARG A 133 10.506 6.711 7.346 1.00 0.00 C ATOM 2161 O ARG A 133 10.566 5.921 6.406 1.00 0.00 O ATOM 2162 CB ARG A 133 11.346 6.279 9.674 1.00 0.00 C ATOM 2163 CG ARG A 133 11.197 7.281 10.808 1.00 0.00 C ATOM 2164 CD ARG A 133 11.947 6.832 12.053 1.00 0.00 C ATOM 2165 NE ARG A 133 12.939 7.818 12.477 1.00 0.00 N ATOM 2166 CZ ARG A 133 13.966 7.539 13.276 1.00 0.00 C ATOM 2167 NH1 ARG A 133 14.139 6.309 13.744 1.00 0.00 N ATOM 2168 NH2 ARG A 133 14.823 8.495 13.610 1.00 0.00 N ATOM 0 H ARG A 133 10.200 4.164 9.096 1.00 0.00 H new ATOM 0 HA ARG A 133 9.365 6.883 9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.515 5.288 10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.231 6.532 9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.572 8.253 10.487 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.141 7.409 11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.237 6.660 12.862 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.442 5.881 11.856 1.00 0.00 H new ATOM 0 HE ARG A 133 12.838 8.776 12.141 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.482 5.570 13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.928 6.103 14.356 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.694 9.442 13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.611 8.283 14.222 1.00 0.00 H new