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 32 TYR OH : rot 130:sc= -0.852 USER MOD Set 1.2: A 115 MET CE :methyl 164:sc= -0.202 (180deg=-0.525) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.747 F(o=-3,f=-0.75) USER MOD Single : A 46 GLN : amide:sc= -1.27 K(o=-1.3,f=-8.6!) USER MOD Single : A 54 MET CE :methyl -122:sc= -9.15! (180deg=-12.3!) USER MOD Single : A 57 HIS : no HE2:sc= -2.87 K(o=-2.9,f=-6.4!) USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.079) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -148:sc= -4.04! (180deg=-7.11!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.746 USER MOD Single : A 113 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.8) USER MOD Single : A 123 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.15) USER MOD Single : A 124 LYS NZ :NH3+ 172:sc= -0.504 (180deg=-0.619) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -78:sc= -1.02 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.173 12.321 8.922 1.00 0.00 N ATOM 508 CA ASP A 31 8.303 11.572 9.458 1.00 0.00 C ATOM 509 C ASP A 31 8.088 10.074 9.274 1.00 0.00 C ATOM 510 O ASP A 31 9.039 9.316 9.077 1.00 0.00 O ATOM 511 CB ASP A 31 8.499 11.892 10.940 1.00 0.00 C ATOM 512 CG ASP A 31 9.033 13.294 11.164 1.00 0.00 C ATOM 513 OD1 ASP A 31 9.839 13.761 10.331 1.00 0.00 O ATOM 514 OD2 ASP A 31 8.644 13.925 12.169 1.00 0.00 O ATOM 0 HA ASP A 31 9.199 11.867 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.548 11.781 11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.189 11.170 11.377 1.00 0.00 H new ATOM 519 N TYR A 32 6.829 9.655 9.338 1.00 0.00 N ATOM 520 CA TYR A 32 6.478 8.251 9.175 1.00 0.00 C ATOM 521 C TYR A 32 5.638 8.053 7.918 1.00 0.00 C ATOM 522 O TYR A 32 5.211 9.020 7.289 1.00 0.00 O ATOM 523 CB TYR A 32 5.709 7.750 10.397 1.00 0.00 C ATOM 524 CG TYR A 32 6.598 7.382 11.562 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.613 6.444 11.418 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.416 7.968 12.807 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.422 6.102 12.484 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.223 7.633 13.877 1.00 0.00 C ATOM 529 CZ TYR A 32 8.223 6.698 13.712 1.00 0.00 C ATOM 530 OH TYR A 32 9.027 6.361 14.776 1.00 0.00 O ATOM 0 H TYR A 32 6.033 10.271 9.502 1.00 0.00 H new ATOM 0 HA TYR A 32 7.399 7.677 9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.007 8.521 10.716 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.118 6.879 10.112 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.772 5.975 10.458 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.631 8.697 12.941 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.207 5.371 12.357 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.071 8.101 14.838 1.00 0.00 H new ATOM 0 HH TYR A 32 9.372 7.176 15.197 1.00 0.00 H new ATOM 540 N GLY A 33 5.407 6.796 7.556 1.00 0.00 N ATOM 541 CA GLY A 33 4.620 6.506 6.375 1.00 0.00 C ATOM 542 C GLY A 33 3.973 5.139 6.422 1.00 0.00 C ATOM 543 O GLY A 33 4.640 4.136 6.672 1.00 0.00 O ATOM 0 H GLY A 33 5.750 5.977 8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.846 7.266 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.258 6.571 5.494 1.00 0.00 H new ATOM 547 N LEU A 34 2.670 5.097 6.169 1.00 0.00 N ATOM 548 CA LEU A 34 1.934 3.841 6.171 1.00 0.00 C ATOM 549 C LEU A 34 1.919 3.247 4.770 1.00 0.00 C ATOM 550 O LEU A 34 1.164 3.692 3.904 1.00 0.00 O ATOM 551 CB LEU A 34 0.502 4.061 6.666 1.00 0.00 C ATOM 552 CG LEU A 34 -0.246 2.802 7.115 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.828 2.076 5.914 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.669 1.878 7.911 1.00 0.00 C ATOM 0 H LEU A 34 2.103 5.919 5.960 1.00 0.00 H new ATOM 0 HA LEU A 34 2.431 3.145 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.529 4.762 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.070 4.536 5.869 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.065 3.106 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.356 1.184 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.523 2.734 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.023 1.788 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.113 0.992 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.514 1.580 7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.035 2.401 8.795 1.00 0.00 H new ATOM 566 N VAL A 35 2.767 2.252 4.547 1.00 0.00 N ATOM 567 CA VAL A 35 2.860 1.615 3.242 1.00 0.00 C ATOM 568 C VAL A 35 1.957 0.396 3.139 1.00 0.00 C ATOM 569 O VAL A 35 1.816 -0.376 4.087 1.00 0.00 O ATOM 570 CB VAL A 35 4.308 1.186 2.919 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.914 0.414 4.081 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.351 0.351 1.647 1.00 0.00 C ATOM 0 H VAL A 35 3.398 1.870 5.251 1.00 0.00 H new ATOM 0 HA VAL A 35 2.534 2.363 2.519 1.00 0.00 H new ATOM 0 HB VAL A 35 4.900 2.087 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.934 0.122 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.924 1.044 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.318 -0.478 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.380 0.059 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.740 -0.542 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.963 0.937 0.814 1.00 0.00 H new ATOM 582 N ALA A 36 1.373 0.219 1.961 1.00 0.00 N ATOM 583 CA ALA A 36 0.509 -0.916 1.699 1.00 0.00 C ATOM 584 C ALA A 36 1.324 -2.040 1.075 1.00 0.00 C ATOM 585 O ALA A 36 1.761 -1.933 -0.071 1.00 0.00 O ATOM 586 CB ALA A 36 -0.638 -0.514 0.785 1.00 0.00 C ATOM 0 H ALA A 36 1.485 0.853 1.170 1.00 0.00 H new ATOM 0 HA ALA A 36 0.082 -1.265 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.276 -1.378 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.223 0.273 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.238 -0.148 -0.161 1.00 0.00 H new ATOM 592 N LEU A 37 1.547 -3.101 1.845 1.00 0.00 N ATOM 593 CA LEU A 37 2.333 -4.241 1.379 1.00 0.00 C ATOM 594 C LEU A 37 1.549 -5.120 0.405 1.00 0.00 C ATOM 595 O LEU A 37 2.071 -6.114 -0.096 1.00 0.00 O ATOM 596 CB LEU A 37 2.795 -5.077 2.573 1.00 0.00 C ATOM 597 CG LEU A 37 3.477 -4.285 3.690 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.414 -5.051 5.003 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.920 -3.978 3.318 1.00 0.00 C ATOM 0 H LEU A 37 1.194 -3.196 2.797 1.00 0.00 H new ATOM 0 HA LEU A 37 3.198 -3.847 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.932 -5.596 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.485 -5.842 2.217 1.00 0.00 H new ATOM 0 HG LEU A 37 2.946 -3.342 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.904 -4.472 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.372 -5.221 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.920 -6.010 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.391 -3.414 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.462 -4.911 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.942 -3.389 2.401 1.00 0.00 H new ATOM 611 N GLU A 38 0.297 -4.756 0.136 1.00 0.00 N ATOM 612 CA GLU A 38 -0.534 -5.527 -0.781 1.00 0.00 C ATOM 613 C GLU A 38 -1.407 -4.606 -1.631 1.00 0.00 C ATOM 614 O GLU A 38 -1.771 -3.511 -1.203 1.00 0.00 O ATOM 615 CB GLU A 38 -1.410 -6.510 -0.001 1.00 0.00 C ATOM 616 CG GLU A 38 -1.003 -7.964 -0.184 1.00 0.00 C ATOM 617 CD GLU A 38 -2.195 -8.897 -0.262 1.00 0.00 C ATOM 618 OE1 GLU A 38 -2.867 -8.915 -1.315 1.00 0.00 O ATOM 619 OE2 GLU A 38 -2.457 -9.611 0.729 1.00 0.00 O ATOM 0 H GLU A 38 -0.160 -3.938 0.538 1.00 0.00 H new ATOM 0 HA GLU A 38 0.123 -6.087 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.367 -6.260 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.447 -6.389 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.411 -8.060 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.364 -8.266 0.646 1.00 0.00 H new ATOM 626 N PRO A 39 -1.758 -5.043 -2.853 1.00 0.00 N ATOM 627 CA PRO A 39 -2.592 -4.256 -3.763 1.00 0.00 C ATOM 628 C PRO A 39 -4.065 -4.291 -3.369 1.00 0.00 C ATOM 629 O PRO A 39 -4.644 -5.364 -3.197 1.00 0.00 O ATOM 630 CB PRO A 39 -2.381 -4.947 -5.109 1.00 0.00 C ATOM 631 CG PRO A 39 -2.101 -6.368 -4.759 1.00 0.00 C ATOM 632 CD PRO A 39 -1.369 -6.340 -3.442 1.00 0.00 C ATOM 0 HA PRO A 39 -2.323 -3.200 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.264 -4.861 -5.742 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.551 -4.502 -5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.026 -6.939 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.497 -6.847 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.661 -7.174 -2.803 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.290 -6.409 -3.582 1.00 0.00 H new ATOM 640 N ALA A 40 -4.668 -3.115 -3.223 1.00 0.00 N ATOM 641 CA ALA A 40 -6.073 -3.025 -2.845 1.00 0.00 C ATOM 642 C ALA A 40 -6.674 -1.679 -3.237 1.00 0.00 C ATOM 643 O ALA A 40 -5.964 -0.770 -3.666 1.00 0.00 O ATOM 644 CB ALA A 40 -6.228 -3.255 -1.348 1.00 0.00 C ATOM 0 H ALA A 40 -4.208 -2.215 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.615 -3.801 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.281 -3.186 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.852 -4.245 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.662 -2.499 -0.803 1.00 0.00 H new ATOM 650 N TRP A 41 -7.989 -1.564 -3.084 1.00 0.00 N ATOM 651 CA TRP A 41 -8.699 -0.333 -3.414 1.00 0.00 C ATOM 652 C TRP A 41 -9.094 0.418 -2.146 1.00 0.00 C ATOM 653 O TRP A 41 -9.736 -0.143 -1.258 1.00 0.00 O ATOM 654 CB TRP A 41 -9.946 -0.645 -4.243 1.00 0.00 C ATOM 655 CG TRP A 41 -9.637 -1.206 -5.598 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.601 -0.855 -6.415 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.373 -2.218 -6.295 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.648 -1.586 -7.577 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.726 -2.430 -7.527 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.516 -2.965 -5.996 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.184 -3.358 -8.459 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.970 -3.887 -6.921 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.304 -4.077 -8.139 1.00 0.00 C ATOM 0 H TRP A 41 -8.587 -2.312 -2.732 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.031 0.299 -4.000 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.567 -1.355 -3.697 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.532 0.266 -4.361 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.854 -0.111 -6.182 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.988 -1.512 -8.351 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.035 -2.825 -5.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.674 -3.505 -9.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.852 -4.470 -6.701 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.682 -4.806 -8.840 1.00 0.00 H new ATOM 674 N ILE A 42 -8.707 1.686 -2.066 1.00 0.00 N ATOM 675 CA ILE A 42 -9.023 2.507 -0.903 1.00 0.00 C ATOM 676 C ILE A 42 -10.123 3.514 -1.219 1.00 0.00 C ATOM 677 O ILE A 42 -9.949 4.395 -2.061 1.00 0.00 O ATOM 678 CB ILE A 42 -7.783 3.263 -0.390 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.592 2.310 -0.265 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.082 3.926 0.947 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.786 1.234 0.781 1.00 0.00 C ATOM 0 H ILE A 42 -8.175 2.167 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.370 1.826 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.527 4.041 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.412 1.838 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.700 2.886 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.196 4.456 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.904 4.632 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.361 3.165 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.903 0.596 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.936 1.697 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.659 0.633 0.527 1.00 0.00 H new ATOM 693 N THR A 43 -11.254 3.378 -0.537 1.00 0.00 N ATOM 694 CA THR A 43 -12.385 4.276 -0.740 1.00 0.00 C ATOM 695 C THR A 43 -12.166 5.597 -0.014 1.00 0.00 C ATOM 696 O THR A 43 -11.245 5.731 0.791 1.00 0.00 O ATOM 697 CB THR A 43 -13.675 3.622 -0.245 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.410 2.745 0.836 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.394 2.830 -1.312 1.00 0.00 C ATOM 0 H THR A 43 -11.413 2.653 0.163 1.00 0.00 H new ATOM 0 HA THR A 43 -12.471 4.476 -1.808 1.00 0.00 H new ATOM 0 HB THR A 43 -14.316 4.448 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.248 2.338 1.140 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.300 2.393 -0.892 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.658 3.489 -2.139 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.743 2.035 -1.676 1.00 0.00 H new ATOM 707 N ALA A 44 -13.026 6.571 -0.298 1.00 0.00 N ATOM 708 CA ALA A 44 -12.931 7.880 0.334 1.00 0.00 C ATOM 709 C ALA A 44 -12.987 7.751 1.851 1.00 0.00 C ATOM 710 O ALA A 44 -12.233 8.408 2.569 1.00 0.00 O ATOM 711 CB ALA A 44 -14.044 8.790 -0.164 1.00 0.00 C ATOM 0 H ALA A 44 -13.795 6.477 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.972 8.323 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.960 9.764 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.960 8.910 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.011 8.348 0.078 1.00 0.00 H new ATOM 717 N GLN A 45 -13.885 6.897 2.332 1.00 0.00 N ATOM 718 CA GLN A 45 -14.058 6.666 3.735 1.00 0.00 C ATOM 719 C GLN A 45 -12.754 6.284 4.423 1.00 0.00 C ATOM 720 O GLN A 45 -12.443 6.792 5.490 1.00 0.00 O ATOM 721 CB GLN A 45 -15.085 5.560 3.888 1.00 0.00 C ATOM 722 CG GLN A 45 -16.304 5.994 4.658 1.00 0.00 C ATOM 723 CD GLN A 45 -16.505 5.226 5.954 1.00 0.00 C ATOM 724 OE1 GLN A 45 -15.411 4.851 6.607 1.00 0.00 O flip ATOM 725 NE2 GLN A 45 -17.639 4.971 6.363 1.00 0.00 N flip ATOM 0 H GLN A 45 -14.511 6.349 1.742 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.395 7.585 4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.390 5.215 2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.625 4.711 4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.223 7.057 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.185 5.868 4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -18.454 5.277 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.763 4.454 7.233 1.00 0.00 H new ATOM 734 N GLN A 46 -11.994 5.387 3.815 1.00 0.00 N ATOM 735 CA GLN A 46 -10.737 4.948 4.402 1.00 0.00 C ATOM 736 C GLN A 46 -9.788 6.124 4.609 1.00 0.00 C ATOM 737 O GLN A 46 -9.026 6.154 5.576 1.00 0.00 O ATOM 738 CB GLN A 46 -10.083 3.891 3.513 1.00 0.00 C ATOM 739 CG GLN A 46 -10.669 2.498 3.685 1.00 0.00 C ATOM 740 CD GLN A 46 -10.712 2.055 5.134 1.00 0.00 C ATOM 741 OE1 GLN A 46 -9.689 2.031 5.820 1.00 0.00 O ATOM 742 NE2 GLN A 46 -11.900 1.701 5.610 1.00 0.00 N ATOM 0 H GLN A 46 -12.223 4.951 2.922 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.951 4.511 5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.186 4.192 2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.016 3.856 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.678 2.480 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.078 1.786 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.722 1.736 5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.991 1.394 6.579 1.00 0.00 H new ATOM 751 N ILE A 47 -9.833 7.088 3.698 1.00 0.00 N ATOM 752 CA ILE A 47 -8.970 8.260 3.788 1.00 0.00 C ATOM 753 C ILE A 47 -9.380 9.174 4.942 1.00 0.00 C ATOM 754 O ILE A 47 -8.547 9.565 5.759 1.00 0.00 O ATOM 755 CB ILE A 47 -8.982 9.068 2.476 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.698 8.151 1.284 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.960 10.195 2.536 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.171 8.713 -0.038 1.00 0.00 C ATOM 0 H ILE A 47 -10.456 7.082 2.890 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.961 7.890 3.972 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.972 9.507 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.626 7.964 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.180 7.188 1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.981 10.756 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.201 10.861 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.965 9.776 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.936 8.010 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.248 8.873 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.669 9.661 -0.231 1.00 0.00 H new ATOM 770 N GLU A 48 -10.663 9.521 4.999 1.00 0.00 N ATOM 771 CA GLU A 48 -11.171 10.399 6.050 1.00 0.00 C ATOM 772 C GLU A 48 -11.477 9.625 7.331 1.00 0.00 C ATOM 773 O GLU A 48 -11.112 10.050 8.426 1.00 0.00 O ATOM 774 CB GLU A 48 -12.429 11.125 5.570 1.00 0.00 C ATOM 775 CG GLU A 48 -12.578 12.527 6.140 1.00 0.00 C ATOM 776 CD GLU A 48 -13.473 13.409 5.291 1.00 0.00 C ATOM 777 OE1 GLU A 48 -13.217 13.517 4.074 1.00 0.00 O ATOM 778 OE2 GLU A 48 -14.428 13.992 5.844 1.00 0.00 O ATOM 0 H GLU A 48 -11.369 9.209 4.332 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.393 11.129 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.411 11.184 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.305 10.536 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.987 12.464 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.594 12.988 6.224 1.00 0.00 H new ATOM 785 N ALA A 49 -12.154 8.491 7.184 1.00 0.00 N ATOM 786 CA ALA A 49 -12.516 7.658 8.329 1.00 0.00 C ATOM 787 C ALA A 49 -11.284 7.265 9.137 1.00 0.00 C ATOM 788 O ALA A 49 -11.256 7.419 10.358 1.00 0.00 O ATOM 789 CB ALA A 49 -13.267 6.414 7.866 1.00 0.00 C ATOM 0 H ALA A 49 -12.464 8.126 6.283 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.170 8.243 8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.529 5.804 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.176 6.711 7.343 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.633 5.836 7.193 1.00 0.00 H new ATOM 795 N ALA A 50 -10.265 6.762 8.450 1.00 0.00 N ATOM 796 CA ALA A 50 -9.030 6.352 9.108 1.00 0.00 C ATOM 797 C ALA A 50 -8.332 7.546 9.747 1.00 0.00 C ATOM 798 O ALA A 50 -7.806 7.451 10.856 1.00 0.00 O ATOM 799 CB ALA A 50 -8.105 5.667 8.115 1.00 0.00 C ATOM 0 H ALA A 50 -10.269 6.628 7.439 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.283 5.644 9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.187 5.366 8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.599 4.786 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.865 6.357 7.306 1.00 0.00 H new ATOM 805 N ARG A 51 -8.334 8.672 9.041 1.00 0.00 N ATOM 806 CA ARG A 51 -7.702 9.888 9.541 1.00 0.00 C ATOM 807 C ARG A 51 -8.329 10.322 10.862 1.00 0.00 C ATOM 808 O ARG A 51 -7.627 10.691 11.803 1.00 0.00 O ATOM 809 CB ARG A 51 -7.822 11.011 8.508 1.00 0.00 C ATOM 810 CG ARG A 51 -6.515 11.326 7.795 1.00 0.00 C ATOM 811 CD ARG A 51 -6.192 12.811 7.840 1.00 0.00 C ATOM 812 NE ARG A 51 -6.421 13.461 6.552 1.00 0.00 N ATOM 813 CZ ARG A 51 -6.546 14.778 6.397 1.00 0.00 C ATOM 814 NH1 ARG A 51 -6.467 15.587 7.446 1.00 0.00 N ATOM 815 NH2 ARG A 51 -6.751 15.287 5.190 1.00 0.00 N ATOM 0 H ARG A 51 -8.766 8.768 8.122 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.647 9.677 9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.572 10.733 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.182 11.912 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.704 10.763 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.579 10.999 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.804 13.292 8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.151 12.947 8.134 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.489 12.872 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.310 15.201 8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.563 16.595 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.813 14.670 4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.847 16.296 5.071 1.00 0.00 H new ATOM 829 N VAL A 52 -9.657 10.271 10.926 1.00 0.00 N ATOM 830 CA VAL A 52 -10.380 10.657 12.132 1.00 0.00 C ATOM 831 C VAL A 52 -9.936 9.822 13.329 1.00 0.00 C ATOM 832 O VAL A 52 -9.735 10.347 14.425 1.00 0.00 O ATOM 833 CB VAL A 52 -11.903 10.503 11.947 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.647 11.036 13.163 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.361 11.210 10.678 1.00 0.00 C ATOM 0 H VAL A 52 -10.253 9.966 10.157 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.149 11.706 12.319 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.133 9.442 11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.720 10.918 13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.341 10.480 14.049 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.413 12.092 13.299 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.438 11.091 10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.118 12.271 10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.854 10.775 9.816 1.00 0.00 H new ATOM 845 N ALA A 53 -9.784 8.520 13.112 1.00 0.00 N ATOM 846 CA ALA A 53 -9.363 7.612 14.172 1.00 0.00 C ATOM 847 C ALA A 53 -7.919 7.882 14.583 1.00 0.00 C ATOM 848 O ALA A 53 -7.571 7.794 15.760 1.00 0.00 O ATOM 849 CB ALA A 53 -9.525 6.168 13.721 1.00 0.00 C ATOM 0 H ALA A 53 -9.946 8.070 12.211 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.998 7.784 15.041 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.207 5.499 14.521 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.571 5.977 13.482 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.913 5.992 12.837 1.00 0.00 H new ATOM 855 N MET A 54 -7.085 8.206 13.602 1.00 0.00 N ATOM 856 CA MET A 54 -5.675 8.486 13.855 1.00 0.00 C ATOM 857 C MET A 54 -5.496 9.815 14.582 1.00 0.00 C ATOM 858 O MET A 54 -4.755 9.903 15.560 1.00 0.00 O ATOM 859 CB MET A 54 -4.899 8.502 12.539 1.00 0.00 C ATOM 860 CG MET A 54 -4.786 7.134 11.889 1.00 0.00 C ATOM 861 SD MET A 54 -3.528 7.080 10.599 1.00 0.00 S ATOM 862 CE MET A 54 -4.458 7.694 9.198 1.00 0.00 C ATOM 0 H MET A 54 -7.360 8.282 12.623 1.00 0.00 H new ATOM 0 HA MET A 54 -5.284 7.695 14.495 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.388 9.186 11.846 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.898 8.894 12.721 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.551 6.392 12.652 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.750 6.858 11.462 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.445 6.952 8.399 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.488 7.884 9.500 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.008 8.620 8.840 1.00 0.00 H new ATOM 872 N VAL A 55 -6.177 10.849 14.097 1.00 0.00 N ATOM 873 CA VAL A 55 -6.087 12.173 14.702 1.00 0.00 C ATOM 874 C VAL A 55 -6.469 12.133 16.179 1.00 0.00 C ATOM 875 O VAL A 55 -5.896 12.850 16.999 1.00 0.00 O ATOM 876 CB VAL A 55 -6.993 13.186 13.974 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.811 14.582 14.552 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.708 13.179 12.479 1.00 0.00 C ATOM 0 H VAL A 55 -6.796 10.795 13.288 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.049 12.493 14.609 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.031 12.889 14.125 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.459 15.282 14.024 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.071 14.574 15.611 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.772 14.891 14.436 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.357 13.900 11.982 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.666 13.448 12.306 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.897 12.183 12.077 1.00 0.00 H new ATOM 888 N ARG A 56 -7.441 11.290 16.509 1.00 0.00 N ATOM 889 CA ARG A 56 -7.901 11.155 17.886 1.00 0.00 C ATOM 890 C ARG A 56 -6.901 10.367 18.725 1.00 0.00 C ATOM 891 O ARG A 56 -6.792 10.572 19.934 1.00 0.00 O ATOM 892 CB ARG A 56 -9.266 10.467 17.918 1.00 0.00 C ATOM 893 CG ARG A 56 -10.432 11.414 17.682 1.00 0.00 C ATOM 894 CD ARG A 56 -11.576 10.718 16.963 1.00 0.00 C ATOM 895 NE ARG A 56 -12.435 9.981 17.887 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.268 9.012 17.512 1.00 0.00 C ATOM 897 NH1 ARG A 56 -13.357 8.661 16.235 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.014 8.393 18.417 1.00 0.00 N ATOM 0 H ARG A 56 -7.926 10.690 15.842 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.991 12.154 18.313 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.286 9.684 17.160 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.395 9.979 18.884 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.784 11.804 18.637 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.096 12.267 17.093 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.171 11.458 16.427 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.172 10.032 16.218 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.394 10.223 18.877 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.786 9.134 15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.997 7.918 15.954 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.950 8.659 19.400 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.652 7.651 18.131 1.00 0.00 H new ATOM 912 N HIS A 57 -6.176 9.459 18.078 1.00 0.00 N ATOM 913 CA HIS A 57 -5.189 8.635 18.768 1.00 0.00 C ATOM 914 C HIS A 57 -4.078 9.490 19.372 1.00 0.00 C ATOM 915 O HIS A 57 -3.773 9.378 20.559 1.00 0.00 O ATOM 916 CB HIS A 57 -4.589 7.608 17.805 1.00 0.00 C ATOM 917 CG HIS A 57 -4.010 6.412 18.495 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.759 5.563 19.283 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.747 5.924 18.513 1.00 0.00 C ATOM 920 CE1 HIS A 57 -3.980 4.606 19.757 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.756 4.802 19.304 1.00 0.00 N ATOM 0 H HIS A 57 -6.253 9.275 17.078 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.698 8.114 19.579 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.361 7.279 17.110 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.810 8.088 17.212 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.757 5.659 19.470 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.892 6.340 18.001 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.292 3.800 20.405 1.00 0.00 H new ATOM 930 N PHE A 58 -3.474 10.341 18.548 1.00 0.00 N ATOM 931 CA PHE A 58 -2.394 11.213 19.005 1.00 0.00 C ATOM 932 C PHE A 58 -2.816 12.009 20.238 1.00 0.00 C ATOM 933 O PHE A 58 -3.785 12.767 20.198 1.00 0.00 O ATOM 934 CB PHE A 58 -1.969 12.169 17.887 1.00 0.00 C ATOM 935 CG PHE A 58 -1.820 11.504 16.548 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.860 10.525 16.345 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.641 11.861 15.491 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.722 9.915 15.113 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.508 11.254 14.256 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.548 10.279 14.067 1.00 0.00 C ATOM 0 H PHE A 58 -3.713 10.446 17.562 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.547 10.583 19.275 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.705 12.969 17.806 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.022 12.634 18.159 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.212 10.236 17.159 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.394 12.622 15.633 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.031 9.154 14.968 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.154 11.542 13.440 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.443 9.802 13.104 1.00 0.00 H new ATOM 950 N ARG A 59 -2.084 11.826 21.333 1.00 0.00 N ATOM 951 CA ARG A 59 -2.383 12.524 22.579 1.00 0.00 C ATOM 952 C ARG A 59 -2.249 14.031 22.410 1.00 0.00 C ATOM 953 O ARG A 59 -3.137 14.793 22.795 1.00 0.00 O ATOM 954 CB ARG A 59 -1.453 12.040 23.694 1.00 0.00 C ATOM 955 CG ARG A 59 -1.694 10.596 24.103 1.00 0.00 C ATOM 956 CD ARG A 59 -0.797 10.186 25.261 1.00 0.00 C ATOM 957 NE ARG A 59 -1.055 10.977 26.463 1.00 0.00 N ATOM 958 CZ ARG A 59 -0.468 12.143 26.727 1.00 0.00 C ATOM 959 NH1 ARG A 59 0.412 12.663 25.879 1.00 0.00 N ATOM 960 NH2 ARG A 59 -0.762 12.793 27.845 1.00 0.00 N ATOM 0 H ARG A 59 -1.280 11.200 21.383 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.415 12.300 22.850 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.419 12.148 23.366 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.580 12.682 24.566 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.738 10.467 24.387 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.512 9.941 23.251 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.951 9.130 25.482 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.247 10.301 24.969 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.725 10.614 27.141 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.643 12.169 25.017 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.857 13.557 26.090 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.437 12.400 28.501 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.313 13.686 28.049 1.00 0.00 H new ATOM 974 N ARG A 60 -1.133 14.456 21.833 1.00 0.00 N ATOM 975 CA ARG A 60 -0.875 15.874 21.611 1.00 0.00 C ATOM 976 C ARG A 60 -1.244 16.280 20.187 1.00 0.00 C ATOM 977 O ARG A 60 -0.610 17.155 19.598 1.00 0.00 O ATOM 978 CB ARG A 60 0.596 16.195 21.881 1.00 0.00 C ATOM 979 CG ARG A 60 0.980 16.102 23.348 1.00 0.00 C ATOM 980 CD ARG A 60 2.115 17.053 23.687 1.00 0.00 C ATOM 981 NE ARG A 60 2.759 16.710 24.953 1.00 0.00 N ATOM 982 CZ ARG A 60 3.821 17.345 25.441 1.00 0.00 C ATOM 983 NH1 ARG A 60 4.364 18.356 24.774 1.00 0.00 N ATOM 984 NH2 ARG A 60 4.344 16.968 26.600 1.00 0.00 N ATOM 0 H ARG A 60 -0.389 13.838 21.509 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.497 16.442 22.303 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.220 15.510 21.307 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.812 17.201 21.521 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.113 16.333 23.967 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.277 15.080 23.583 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.855 17.033 22.887 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.730 18.072 23.740 1.00 0.00 H new ATOM 0 HE ARG A 60 2.371 15.938 25.495 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.967 18.650 23.882 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.178 18.839 25.154 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.932 16.191 27.117 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.158 17.455 26.974 1.00 0.00 H new ATOM 998 N GLY A 61 -2.271 15.637 19.640 1.00 0.00 N ATOM 999 CA GLY A 61 -2.702 15.946 18.291 1.00 0.00 C ATOM 1000 C GLY A 61 -1.630 15.654 17.259 1.00 0.00 C ATOM 1001 O GLY A 61 -0.457 15.501 17.600 1.00 0.00 O ATOM 0 H GLY A 61 -2.811 14.909 20.107 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.595 15.367 18.057 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.980 16.998 18.234 1.00 0.00 H new ATOM 1005 N GLY A 62 -2.034 15.576 15.996 1.00 0.00 N ATOM 1006 CA GLY A 62 -1.087 15.301 14.932 1.00 0.00 C ATOM 1007 C GLY A 62 -1.667 15.561 13.556 1.00 0.00 C ATOM 1008 O GLY A 62 -2.871 15.776 13.413 1.00 0.00 O ATOM 0 H GLY A 62 -2.999 15.698 15.690 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.200 15.919 15.071 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.765 14.262 14.996 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.809 15.542 12.541 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.243 15.777 11.169 1.00 0.00 C ATOM 1014 C LYS A 63 -0.853 14.607 10.271 1.00 0.00 C ATOM 1015 O LYS A 63 0.277 14.121 10.325 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.634 17.074 10.632 1.00 0.00 C ATOM 1017 CG LYS A 63 0.870 17.166 10.825 1.00 0.00 C ATOM 1018 CD LYS A 63 1.368 18.593 10.656 1.00 0.00 C ATOM 1019 CE LYS A 63 2.884 18.667 10.723 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.428 19.732 9.836 1.00 0.00 N ATOM 0 H LYS A 63 0.191 15.366 12.643 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.329 15.869 11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.861 17.159 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.108 17.921 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.133 16.803 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.370 16.517 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.026 18.988 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.937 19.224 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.193 18.858 11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.307 17.704 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.293 20.127 10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.650 19.328 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.721 20.487 9.726 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.797 14.158 9.449 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.551 13.043 8.543 1.00 0.00 C ATOM 1036 C ILE A 64 -1.672 13.477 7.088 1.00 0.00 C ATOM 1037 O ILE A 64 -2.737 13.910 6.646 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.529 11.873 8.791 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.994 11.850 10.250 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.875 10.551 8.417 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.961 10.728 10.559 1.00 0.00 C ATOM 0 H ILE A 64 -2.737 14.549 9.392 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.534 12.705 8.743 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.406 12.019 8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.123 11.757 10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.468 12.803 10.487 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.575 9.735 8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.599 10.567 7.363 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.982 10.403 9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.247 10.774 11.610 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.849 10.831 9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.484 9.770 10.354 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.578 13.354 6.344 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.569 13.729 4.935 1.00 0.00 C ATOM 1055 C PHE A 65 -0.979 12.545 4.065 1.00 0.00 C ATOM 1056 O PHE A 65 -0.234 11.575 3.929 1.00 0.00 O ATOM 1057 CB PHE A 65 0.819 14.224 4.524 1.00 0.00 C ATOM 1058 CG PHE A 65 1.329 15.355 5.372 1.00 0.00 C ATOM 1059 CD1 PHE A 65 1.946 15.102 6.587 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.191 16.669 4.954 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.416 16.139 7.369 1.00 0.00 C ATOM 1062 CE2 PHE A 65 1.659 17.710 5.733 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.272 17.445 6.941 1.00 0.00 C ATOM 0 H PHE A 65 0.312 12.998 6.692 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.288 14.536 4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.523 13.394 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.787 14.547 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.061 14.083 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.713 16.882 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.895 15.929 8.314 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.545 18.730 5.397 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.639 18.257 7.551 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.171 12.628 3.484 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.682 11.559 2.634 1.00 0.00 C ATOM 1075 C ILE A 66 -2.298 11.784 1.175 1.00 0.00 C ATOM 1076 O ILE A 66 -2.642 12.808 0.584 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.216 11.435 2.734 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.683 11.673 4.173 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.668 10.068 2.246 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -4.134 10.667 5.162 1.00 0.00 C ATOM 0 H ILE A 66 -2.801 13.424 3.586 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.228 10.634 2.991 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.667 12.197 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.384 12.675 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.772 11.642 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.753 9.995 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.368 9.935 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.208 9.293 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.507 10.897 6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.455 9.665 4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.045 10.713 5.162 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.587 10.820 0.601 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.159 10.910 -0.790 1.00 0.00 C ATOM 1094 C ARG A 67 -2.158 10.217 -1.712 1.00 0.00 C ATOM 1095 O ARG A 67 -2.317 10.599 -2.872 1.00 0.00 O ATOM 1096 CB ARG A 67 0.229 10.289 -0.961 1.00 0.00 C ATOM 1097 CG ARG A 67 0.854 10.561 -2.319 1.00 0.00 C ATOM 1098 CD ARG A 67 1.248 12.022 -2.469 1.00 0.00 C ATOM 1099 NE ARG A 67 1.689 12.334 -3.826 1.00 0.00 N ATOM 1100 CZ ARG A 67 2.903 12.051 -4.295 1.00 0.00 C ATOM 1101 NH1 ARG A 67 3.799 11.454 -3.520 1.00 0.00 N ATOM 1102 NH2 ARG A 67 3.221 12.368 -5.543 1.00 0.00 N ATOM 0 H ARG A 67 -1.295 9.967 1.078 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.112 11.964 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.888 10.674 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.157 9.212 -0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.734 9.931 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.150 10.290 -3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.399 12.655 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.047 12.256 -1.765 1.00 0.00 H new ATOM 0 HE ARG A 67 1.028 12.796 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.560 11.209 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.727 11.240 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.536 12.828 -6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.150 12.152 -5.903 1.00 0.00 H new ATOM 1116 N ILE A 68 -2.830 9.195 -1.188 1.00 0.00 N ATOM 1117 CA ILE A 68 -3.814 8.450 -1.962 1.00 0.00 C ATOM 1118 C ILE A 68 -5.063 9.288 -2.212 1.00 0.00 C ATOM 1119 O ILE A 68 -5.407 10.159 -1.413 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.219 7.145 -1.251 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -4.794 7.450 0.134 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.025 6.208 -1.140 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.538 6.286 0.751 1.00 0.00 C ATOM 0 H ILE A 68 -2.710 8.865 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.346 8.204 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.989 6.651 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.982 7.744 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.469 8.303 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.328 5.291 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.656 5.969 -2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.234 6.693 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.917 6.575 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.372 6.005 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.862 5.438 0.859 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.740 9.017 -3.323 1.00 0.00 N ATOM 1136 CA PHE A 69 -6.953 9.748 -3.674 1.00 0.00 C ATOM 1137 C PHE A 69 -7.879 8.887 -4.532 1.00 0.00 C ATOM 1138 O PHE A 69 -7.419 8.117 -5.375 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.599 11.037 -4.418 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.431 12.217 -4.002 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -7.247 12.809 -2.763 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.397 12.733 -4.851 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -8.011 13.893 -2.377 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -9.165 13.818 -4.471 1.00 0.00 C ATOM 1145 CZ PHE A 69 -8.971 14.399 -3.232 1.00 0.00 C ATOM 0 H PHE A 69 -5.470 8.298 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.475 10.002 -2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.547 11.267 -4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.723 10.875 -5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.497 12.418 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.552 12.283 -5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.858 14.345 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.915 14.211 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.569 15.247 -2.933 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.203 9.006 -4.328 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.190 8.234 -5.087 1.00 0.00 C ATOM 1157 C PRO A 70 -10.374 8.764 -6.506 1.00 0.00 C ATOM 1158 O PRO A 70 -11.008 9.798 -6.715 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.473 8.418 -4.277 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.313 9.746 -3.620 1.00 0.00 C ATOM 1161 CD PRO A 70 -9.841 9.901 -3.342 1.00 0.00 C ATOM 0 HA PRO A 70 -9.890 7.193 -5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.354 8.396 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.595 7.623 -3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.674 10.546 -4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.891 9.796 -2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.516 10.934 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.594 9.613 -2.320 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.423 4.724 -5.687 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.373 4.248 -4.792 1.00 0.00 C ATOM 1541 C VAL A 94 -9.995 4.656 -5.295 1.00 0.00 C ATOM 1542 O VAL A 94 -9.857 5.208 -6.387 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.407 2.714 -4.648 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.504 2.287 -3.686 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.588 2.055 -6.008 1.00 0.00 C ATOM 0 HA VAL A 94 -11.560 4.706 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.453 2.386 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.510 1.200 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.321 2.728 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.469 2.626 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.610 0.972 -5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.525 2.390 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.759 2.331 -6.659 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.975 4.370 -4.493 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.602 4.694 -4.855 1.00 0.00 C ATOM 1557 C ALA A 95 -6.760 3.427 -4.941 1.00 0.00 C ATOM 1558 O ALA A 95 -6.357 2.866 -3.922 1.00 0.00 O ATOM 1559 CB ALA A 95 -7.003 5.666 -3.848 1.00 0.00 C ATOM 0 H ALA A 95 -9.075 3.913 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.606 5.171 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.977 5.898 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.592 6.583 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.011 5.213 -2.856 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.504 2.975 -6.164 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.719 1.767 -6.383 1.00 0.00 C ATOM 1567 C VAL A 96 -4.321 1.898 -5.791 1.00 0.00 C ATOM 1568 O VAL A 96 -3.614 2.873 -6.045 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.597 1.428 -7.882 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.098 0.002 -8.065 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.930 1.627 -8.590 1.00 0.00 C ATOM 0 H VAL A 96 -6.829 3.427 -7.018 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.251 0.960 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.871 2.107 -8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.017 -0.222 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.119 -0.104 -7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.799 -0.691 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.821 1.382 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.681 0.976 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.244 2.666 -8.489 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.928 0.905 -5.001 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.614 0.899 -4.370 1.00 0.00 C ATOM 1583 C VAL A 97 -1.871 -0.397 -4.675 1.00 0.00 C ATOM 1584 O VAL A 97 -2.482 -1.402 -5.037 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.720 1.067 -2.842 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.360 1.393 -2.247 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.734 2.145 -2.487 1.00 0.00 C ATOM 0 H VAL A 97 -4.503 0.091 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.061 1.743 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.064 0.124 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.453 1.508 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.663 0.584 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.986 2.321 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.793 2.247 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.424 3.094 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.713 1.867 -2.879 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.550 -0.367 -4.529 1.00 0.00 N ATOM 1598 CA LYS A 98 0.272 -1.543 -4.789 1.00 0.00 C ATOM 1599 C LYS A 98 1.235 -1.804 -3.632 1.00 0.00 C ATOM 1600 O LYS A 98 1.523 -0.910 -2.840 1.00 0.00 O ATOM 1601 CB LYS A 98 1.056 -1.362 -6.092 1.00 0.00 C ATOM 1602 CG LYS A 98 0.446 -2.100 -7.274 1.00 0.00 C ATOM 1603 CD LYS A 98 0.607 -1.314 -8.565 1.00 0.00 C ATOM 1604 CE LYS A 98 2.049 -1.322 -9.047 1.00 0.00 C ATOM 1605 NZ LYS A 98 2.269 -2.324 -10.126 1.00 0.00 N ATOM 0 H LYS A 98 -0.027 0.457 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.389 -2.404 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.114 -0.299 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.078 -1.711 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.921 -3.076 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.613 -2.279 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.037 -1.740 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.280 -0.286 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.315 -0.330 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.711 -1.540 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.264 -2.298 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.040 -3.274 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.657 -2.101 -10.937 1.00 0.00 H new ATOM 1619 N PRO A 99 1.752 -3.040 -3.524 1.00 0.00 N ATOM 1620 CA PRO A 99 2.692 -3.414 -2.463 1.00 0.00 C ATOM 1621 C PRO A 99 3.902 -2.490 -2.421 1.00 0.00 C ATOM 1622 O PRO A 99 4.734 -2.493 -3.327 1.00 0.00 O ATOM 1623 CB PRO A 99 3.117 -4.845 -2.832 1.00 0.00 C ATOM 1624 CG PRO A 99 2.673 -5.042 -4.243 1.00 0.00 C ATOM 1625 CD PRO A 99 1.471 -4.165 -4.427 1.00 0.00 C ATOM 0 HA PRO A 99 2.238 -3.341 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.196 -4.970 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.653 -5.575 -2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.464 -4.771 -4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.426 -6.087 -4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.363 -3.837 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.549 -4.680 -4.158 1.00 0.00 H new ATOM 1633 N GLY A 100 3.988 -1.693 -1.361 1.00 0.00 N ATOM 1634 CA GLY A 100 5.093 -0.767 -1.218 1.00 0.00 C ATOM 1635 C GLY A 100 4.684 0.663 -1.514 1.00 0.00 C ATOM 1636 O GLY A 100 5.492 1.461 -1.988 1.00 0.00 O ATOM 0 H GLY A 100 3.311 -1.673 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.487 -0.828 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.899 -1.059 -1.891 1.00 0.00 H new ATOM 1640 N ARG A 101 3.421 0.987 -1.241 1.00 0.00 N ATOM 1641 CA ARG A 101 2.906 2.330 -1.492 1.00 0.00 C ATOM 1642 C ARG A 101 2.486 3.018 -0.195 1.00 0.00 C ATOM 1643 O ARG A 101 1.637 2.515 0.539 1.00 0.00 O ATOM 1644 CB ARG A 101 1.716 2.266 -2.449 1.00 0.00 C ATOM 1645 CG ARG A 101 1.799 3.265 -3.588 1.00 0.00 C ATOM 1646 CD ARG A 101 1.692 4.690 -3.077 1.00 0.00 C ATOM 1647 NE ARG A 101 1.324 5.627 -4.136 1.00 0.00 N ATOM 1648 CZ ARG A 101 0.795 6.829 -3.915 1.00 0.00 C ATOM 1649 NH1 ARG A 101 0.573 7.246 -2.674 1.00 0.00 N ATOM 1650 NH2 ARG A 101 0.491 7.617 -4.936 1.00 0.00 N ATOM 0 H ARG A 101 2.738 0.340 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 101 3.707 2.914 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.647 1.260 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.799 2.443 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.742 3.136 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.000 3.072 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.950 4.734 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.645 4.991 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 101 1.482 5.343 -5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.808 6.645 -1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.168 8.168 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.662 7.303 -5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.086 8.538 -4.767 1.00 0.00 H new ATOM 1664 N VAL A 102 3.079 4.178 0.069 1.00 0.00 N ATOM 1665 CA VAL A 102 2.763 4.949 1.268 1.00 0.00 C ATOM 1666 C VAL A 102 1.441 5.689 1.097 1.00 0.00 C ATOM 1667 O VAL A 102 1.368 6.696 0.393 1.00 0.00 O ATOM 1668 CB VAL A 102 3.876 5.967 1.591 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.705 6.527 2.996 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.249 5.328 1.427 1.00 0.00 C ATOM 0 H VAL A 102 3.783 4.606 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 102 2.682 4.244 2.095 1.00 0.00 H new ATOM 0 HB VAL A 102 3.798 6.795 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.501 7.243 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.739 7.026 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.752 5.714 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.022 6.061 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.339 4.479 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.371 4.986 0.399 1.00 0.00 H new ATOM 1680 N MET A 103 0.394 5.177 1.737 1.00 0.00 N ATOM 1681 CA MET A 103 -0.930 5.781 1.645 1.00 0.00 C ATOM 1682 C MET A 103 -1.125 6.863 2.703 1.00 0.00 C ATOM 1683 O MET A 103 -1.895 7.803 2.505 1.00 0.00 O ATOM 1684 CB MET A 103 -2.008 4.706 1.795 1.00 0.00 C ATOM 1685 CG MET A 103 -1.813 3.517 0.870 1.00 0.00 C ATOM 1686 SD MET A 103 -2.847 2.110 1.321 1.00 0.00 S ATOM 1687 CE MET A 103 -2.103 1.626 2.878 1.00 0.00 C ATOM 0 H MET A 103 0.437 4.345 2.325 1.00 0.00 H new ATOM 0 HA MET A 103 -1.017 6.249 0.664 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.018 4.355 2.827 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.983 5.152 1.600 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.040 3.816 -0.153 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.766 3.215 0.889 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.192 0.547 3.004 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.049 1.906 2.880 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.614 2.131 3.698 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.434 6.723 3.829 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.546 7.691 4.915 1.00 0.00 C ATOM 1699 C PHE A 104 0.828 8.113 5.423 1.00 0.00 C ATOM 1700 O PHE A 104 1.807 7.381 5.281 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.368 7.101 6.059 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.837 7.011 5.761 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.332 6.009 4.941 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.722 7.927 6.303 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.684 5.924 4.667 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -5.075 7.847 6.033 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.557 6.844 5.214 1.00 0.00 C ATOM 0 H PHE A 104 0.207 5.952 4.014 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.050 8.577 4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.991 6.105 6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.224 7.711 6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.654 5.287 4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.351 8.713 6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.057 5.139 4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.755 8.568 6.462 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.614 6.780 5.002 1.00 0.00 H new ATOM 1717 N GLU A 105 0.891 9.302 6.017 1.00 0.00 N ATOM 1718 CA GLU A 105 2.142 9.831 6.550 1.00 0.00 C ATOM 1719 C GLU A 105 1.875 10.817 7.684 1.00 0.00 C ATOM 1720 O GLU A 105 1.102 11.762 7.525 1.00 0.00 O ATOM 1721 CB GLU A 105 2.941 10.521 5.443 1.00 0.00 C ATOM 1722 CG GLU A 105 3.481 9.566 4.390 1.00 0.00 C ATOM 1723 CD GLU A 105 2.568 9.449 3.185 1.00 0.00 C ATOM 1724 OE1 GLU A 105 1.369 9.773 3.316 1.00 0.00 O ATOM 1725 OE2 GLU A 105 3.051 9.035 2.112 1.00 0.00 O ATOM 0 H GLU A 105 0.088 9.918 6.141 1.00 0.00 H new ATOM 0 HA GLU A 105 2.722 8.996 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.306 11.262 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.775 11.061 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.464 9.908 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.617 8.580 4.835 1.00 0.00 H new ATOM 1732 N VAL A 106 2.522 10.597 8.824 1.00 0.00 N ATOM 1733 CA VAL A 106 2.352 11.475 9.978 1.00 0.00 C ATOM 1734 C VAL A 106 3.675 12.121 10.378 1.00 0.00 C ATOM 1735 O VAL A 106 4.748 11.608 10.062 1.00 0.00 O ATOM 1736 CB VAL A 106 1.776 10.722 11.192 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.380 10.204 10.885 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.697 9.585 11.610 1.00 0.00 C ATOM 0 H VAL A 106 3.167 9.821 8.974 1.00 0.00 H new ATOM 0 HA VAL A 106 1.645 12.248 9.677 1.00 0.00 H new ATOM 0 HB VAL A 106 1.705 11.420 12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.011 9.675 11.754 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.275 11.042 10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.423 9.523 10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.270 9.068 12.469 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.808 8.884 10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.674 9.988 11.878 1.00 0.00 H new ATOM 1748 N ALA A 107 3.588 13.249 11.074 1.00 0.00 N ATOM 1749 CA ALA A 107 4.777 13.964 11.518 1.00 0.00 C ATOM 1750 C ALA A 107 4.493 14.774 12.779 1.00 0.00 C ATOM 1751 O ALA A 107 3.413 15.342 12.934 1.00 0.00 O ATOM 1752 CB ALA A 107 5.291 14.872 10.410 1.00 0.00 C ATOM 0 H ALA A 107 2.707 13.687 11.342 1.00 0.00 H new ATOM 0 HA ALA A 107 5.545 13.228 11.756 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.180 15.400 10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.542 14.272 9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.519 15.595 10.145 1.00 0.00 H new ATOM 1758 N GLY A 108 5.471 14.822 13.677 1.00 0.00 N ATOM 1759 CA GLY A 108 5.308 15.567 14.911 1.00 0.00 C ATOM 1760 C GLY A 108 4.880 14.689 16.072 1.00 0.00 C ATOM 1761 O GLY A 108 5.154 15.004 17.230 1.00 0.00 O ATOM 0 H GLY A 108 6.373 14.358 13.572 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.248 16.059 15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.567 16.352 14.762 1.00 0.00 H new ATOM 1765 N VAL A 109 4.202 13.587 15.764 1.00 0.00 N ATOM 1766 CA VAL A 109 3.736 12.668 16.794 1.00 0.00 C ATOM 1767 C VAL A 109 4.823 11.670 17.177 1.00 0.00 C ATOM 1768 O VAL A 109 5.733 11.396 16.394 1.00 0.00 O ATOM 1769 CB VAL A 109 2.480 11.901 16.339 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.337 12.870 16.072 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.777 11.056 15.107 1.00 0.00 C ATOM 0 H VAL A 109 3.964 13.310 14.811 1.00 0.00 H new ATOM 0 HA VAL A 109 3.484 13.273 17.665 1.00 0.00 H new ATOM 0 HB VAL A 109 2.178 11.227 17.140 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.456 12.314 15.751 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.106 13.421 16.984 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.629 13.570 15.289 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.875 10.524 14.805 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.107 11.702 14.294 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.562 10.336 15.340 1.00 0.00 H new ATOM 1781 N THR A 110 4.723 11.128 18.387 1.00 0.00 N ATOM 1782 CA THR A 110 5.699 10.160 18.874 1.00 0.00 C ATOM 1783 C THR A 110 5.622 8.862 18.078 1.00 0.00 C ATOM 1784 O THR A 110 4.639 8.607 17.381 1.00 0.00 O ATOM 1785 CB THR A 110 5.469 9.875 20.358 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.194 9.293 20.566 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.555 11.112 21.226 1.00 0.00 C ATOM 0 H THR A 110 3.976 11.343 19.048 1.00 0.00 H new ATOM 0 HA THR A 110 6.693 10.587 18.743 1.00 0.00 H new ATOM 0 HB THR A 110 6.267 9.191 20.647 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.067 9.117 21.522 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.382 10.839 22.267 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.545 11.558 21.127 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.800 11.832 20.910 1.00 0.00 H new ATOM 1795 N GLU A 111 6.665 8.046 18.184 1.00 0.00 N ATOM 1796 CA GLU A 111 6.717 6.774 17.474 1.00 0.00 C ATOM 1797 C GLU A 111 5.559 5.870 17.883 1.00 0.00 C ATOM 1798 O GLU A 111 4.971 5.181 17.047 1.00 0.00 O ATOM 1799 CB GLU A 111 8.048 6.071 17.745 1.00 0.00 C ATOM 1800 CG GLU A 111 8.218 4.773 16.972 1.00 0.00 C ATOM 1801 CD GLU A 111 7.880 3.551 17.803 1.00 0.00 C ATOM 1802 OE1 GLU A 111 6.695 3.389 18.164 1.00 0.00 O ATOM 1803 OE2 GLU A 111 8.799 2.757 18.094 1.00 0.00 O ATOM 0 H GLU A 111 7.487 8.243 18.755 1.00 0.00 H new ATOM 0 HA GLU A 111 6.631 6.980 16.407 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.865 6.746 17.490 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.129 5.862 18.812 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.580 4.795 16.088 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.247 4.696 16.621 1.00 0.00 H new ATOM 1810 N GLU A 112 5.236 5.874 19.171 1.00 0.00 N ATOM 1811 CA GLU A 112 4.150 5.051 19.690 1.00 0.00 C ATOM 1812 C GLU A 112 2.803 5.510 19.136 1.00 0.00 C ATOM 1813 O GLU A 112 1.980 4.693 18.725 1.00 0.00 O ATOM 1814 CB GLU A 112 4.132 5.101 21.220 1.00 0.00 C ATOM 1815 CG GLU A 112 4.535 3.789 21.874 1.00 0.00 C ATOM 1816 CD GLU A 112 3.524 2.684 21.636 1.00 0.00 C ATOM 1817 OE1 GLU A 112 3.577 2.053 20.560 1.00 0.00 O ATOM 1818 OE2 GLU A 112 2.678 2.451 22.526 1.00 0.00 O ATOM 0 H GLU A 112 5.711 6.438 19.876 1.00 0.00 H new ATOM 0 HA GLU A 112 4.321 4.023 19.369 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.806 5.888 21.558 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.131 5.373 21.555 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.506 3.478 21.488 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.653 3.943 22.947 1.00 0.00 H new ATOM 1825 N GLN A 113 2.586 6.821 19.131 1.00 0.00 N ATOM 1826 CA GLN A 113 1.338 7.387 18.628 1.00 0.00 C ATOM 1827 C GLN A 113 1.296 7.345 17.104 1.00 0.00 C ATOM 1828 O GLN A 113 0.241 7.126 16.508 1.00 0.00 O ATOM 1829 CB GLN A 113 1.174 8.826 19.116 1.00 0.00 C ATOM 1830 CG GLN A 113 1.246 8.968 20.628 1.00 0.00 C ATOM 1831 CD GLN A 113 0.003 8.447 21.322 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -1.010 8.170 20.680 1.00 0.00 O ATOM 1833 NE2 GLN A 113 0.075 8.309 22.640 1.00 0.00 N ATOM 0 H GLN A 113 3.257 7.511 19.469 1.00 0.00 H new ATOM 0 HA GLN A 113 0.514 6.785 19.012 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.949 9.445 18.664 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.216 9.212 18.768 1.00 0.00 H new ATOM 0 HG2 GLN A 113 2.118 8.429 20.999 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.388 10.018 20.884 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.935 8.551 23.132 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -0.730 7.961 23.161 1.00 0.00 H new ATOM 1842 N ALA A 114 2.449 7.558 16.481 1.00 0.00 N ATOM 1843 CA ALA A 114 2.545 7.547 15.027 1.00 0.00 C ATOM 1844 C ALA A 114 2.396 6.133 14.474 1.00 0.00 C ATOM 1845 O ALA A 114 1.631 5.900 13.538 1.00 0.00 O ATOM 1846 CB ALA A 114 3.867 8.151 14.586 1.00 0.00 C ATOM 0 H ALA A 114 3.331 7.740 16.961 1.00 0.00 H new ATOM 0 HA ALA A 114 1.729 8.149 14.629 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.928 8.138 13.498 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.933 9.180 14.941 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.690 7.570 15.003 1.00 0.00 H new ATOM 1852 N MET A 115 3.131 5.192 15.057 1.00 0.00 N ATOM 1853 CA MET A 115 3.076 3.802 14.622 1.00 0.00 C ATOM 1854 C MET A 115 1.676 3.232 14.816 1.00 0.00 C ATOM 1855 O MET A 115 1.096 2.656 13.896 1.00 0.00 O ATOM 1856 CB MET A 115 4.095 2.961 15.393 1.00 0.00 C ATOM 1857 CG MET A 115 5.539 3.322 15.083 1.00 0.00 C ATOM 1858 SD MET A 115 6.411 2.016 14.195 1.00 0.00 S ATOM 1859 CE MET A 115 7.659 2.969 13.333 1.00 0.00 C ATOM 0 H MET A 115 3.771 5.367 15.831 1.00 0.00 H new ATOM 0 HA MET A 115 3.321 3.768 13.560 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.920 3.083 16.462 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.934 1.908 15.162 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.561 4.236 14.489 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.064 3.535 16.015 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.443 2.302 12.974 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.204 3.483 12.487 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.091 3.703 14.014 1.00 0.00 H new ATOM 1869 N GLU A 116 1.137 3.402 16.019 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.198 2.908 16.330 1.00 0.00 C ATOM 1871 C GLU A 116 -1.235 3.554 15.421 1.00 0.00 C ATOM 1872 O GLU A 116 -2.073 2.869 14.834 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.540 3.187 17.795 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.504 2.178 18.397 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.124 1.779 19.809 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.009 1.249 19.996 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -1.942 1.995 20.728 1.00 0.00 O ATOM 0 H GLU A 116 1.603 3.877 16.792 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.211 1.831 16.162 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.380 3.192 18.380 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.974 4.184 17.875 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.509 2.599 18.401 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.533 1.289 17.768 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.171 4.877 15.301 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.103 5.614 14.456 1.00 0.00 C ATOM 1886 C ALA A 117 -2.045 5.114 13.017 1.00 0.00 C ATOM 1887 O ALA A 117 -3.074 4.828 12.406 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.801 7.103 14.512 1.00 0.00 C ATOM 0 H ALA A 117 -0.483 5.460 15.778 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.112 5.446 14.833 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.504 7.641 13.877 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.897 7.455 15.539 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.785 7.282 14.161 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.833 5.000 12.484 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.645 4.522 11.120 1.00 0.00 C ATOM 1896 C LEU A 118 -1.197 3.109 10.975 1.00 0.00 C ATOM 1897 O LEU A 118 -1.657 2.715 9.903 1.00 0.00 O ATOM 1898 CB LEU A 118 0.843 4.550 10.748 1.00 0.00 C ATOM 1899 CG LEU A 118 1.338 5.829 10.056 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.472 7.027 10.414 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.790 6.099 10.423 1.00 0.00 C ATOM 0 H LEU A 118 0.031 5.231 12.974 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.188 5.181 10.442 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.427 4.402 11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.050 3.703 10.094 1.00 0.00 H new ATOM 0 HG LEU A 118 1.265 5.675 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.851 7.914 9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.555 6.840 10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.499 7.186 11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.128 7.008 9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.875 6.223 11.503 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.408 5.260 10.104 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.150 2.353 12.068 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.648 0.985 12.077 1.00 0.00 C ATOM 1915 C ARG A 119 -3.174 0.965 12.085 1.00 0.00 C ATOM 1916 O ARG A 119 -3.796 0.142 11.412 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.107 0.239 13.297 1.00 0.00 C ATOM 1918 CG ARG A 119 0.310 -0.278 13.114 1.00 0.00 C ATOM 1919 CD ARG A 119 0.527 -1.585 13.856 1.00 0.00 C ATOM 1920 NE ARG A 119 0.212 -1.466 15.278 1.00 0.00 N ATOM 1921 CZ ARG A 119 0.429 -2.430 16.169 1.00 0.00 C ATOM 1922 NH1 ARG A 119 0.961 -3.586 15.791 1.00 0.00 N ATOM 1923 NH2 ARG A 119 0.112 -2.239 17.442 1.00 0.00 N ATOM 0 H ARG A 119 -0.770 2.668 12.961 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.303 0.487 11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.134 0.904 14.160 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.765 -0.601 13.521 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.511 -0.424 12.053 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.019 0.467 13.473 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -0.094 -2.362 13.411 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.564 -1.900 13.739 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.199 -0.592 15.607 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.206 -3.739 14.813 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.125 -4.321 16.479 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.298 -1.353 17.738 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.278 -2.978 18.125 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.771 1.879 12.845 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.224 1.969 12.937 1.00 0.00 C ATOM 1939 C ILE A 120 -5.846 2.121 11.550 1.00 0.00 C ATOM 1940 O ILE A 120 -6.886 1.532 11.257 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.660 3.155 13.827 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.164 2.953 15.259 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.175 3.320 13.810 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.014 4.243 16.034 1.00 0.00 C ATOM 0 H ILE A 120 -3.270 2.568 13.406 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.577 1.043 13.391 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.214 4.065 13.425 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.859 2.300 15.787 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.202 2.440 15.233 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.457 4.161 14.444 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.509 3.507 12.789 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.644 2.410 14.185 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.659 4.023 17.041 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.296 4.890 15.529 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.979 4.747 16.092 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.197 2.911 10.700 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.683 3.134 9.346 1.00 0.00 C ATOM 1958 C ALA A 121 -5.673 1.836 8.546 1.00 0.00 C ATOM 1959 O ALA A 121 -6.657 1.492 7.892 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.840 4.191 8.649 1.00 0.00 C ATOM 0 H ALA A 121 -4.334 3.406 10.926 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.711 3.490 9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.215 4.347 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.897 5.127 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.803 3.858 8.604 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.556 1.119 8.609 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.437 -0.136 7.890 1.00 0.00 C ATOM 1968 C GLY A 122 -5.254 -1.248 8.521 1.00 0.00 C ATOM 1969 O GLY A 122 -5.578 -2.236 7.863 1.00 0.00 O ATOM 0 H GLY A 122 -3.730 1.385 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.760 0.008 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.389 -0.434 7.857 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.589 -1.086 9.798 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.373 -2.085 10.515 1.00 0.00 C ATOM 1975 C HIS A 123 -7.711 -2.325 9.822 1.00 0.00 C ATOM 1976 O HIS A 123 -8.215 -3.447 9.795 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.602 -1.642 11.961 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.062 -2.605 12.974 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -6.336 -3.957 12.947 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -5.259 -2.406 14.046 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -5.726 -4.547 13.961 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -5.065 -3.628 14.641 1.00 0.00 N ATOM 0 H HIS A 123 -5.330 -0.273 10.357 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.813 -3.020 10.516 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.136 -0.668 12.112 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.671 -1.513 12.128 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -4.848 -1.462 14.372 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.762 -5.601 14.194 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.501 -3.799 15.474 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.281 -1.263 9.261 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.559 -1.360 8.566 1.00 0.00 C ATOM 1993 C LYS A 124 -9.363 -1.509 7.057 1.00 0.00 C ATOM 1994 O LYS A 124 -10.331 -1.516 6.296 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.418 -0.129 8.860 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.705 1.188 8.595 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.243 1.843 9.888 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.294 2.794 10.435 1.00 0.00 C ATOM 1999 NZ LYS A 124 -11.617 2.130 10.594 1.00 0.00 N ATOM 0 H LYS A 124 -7.878 -0.326 9.274 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.069 -2.251 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.321 -0.173 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.735 -0.158 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.846 1.014 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.374 1.864 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.025 1.074 10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.315 2.387 9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -9.965 3.183 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.395 3.648 9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.268 2.769 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.006 1.902 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -11.502 1.254 11.143 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.108 -1.629 6.627 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.799 -1.779 5.210 1.00 0.00 C ATOM 2015 C LEU A 125 -7.908 -3.242 4.786 1.00 0.00 C ATOM 2016 O LEU A 125 -7.802 -4.146 5.614 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.390 -1.257 4.913 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.259 0.267 4.864 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.842 0.670 4.475 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.270 0.859 3.893 1.00 0.00 C ATOM 0 H LEU A 125 -7.292 -1.625 7.239 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.522 -1.195 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.710 -1.640 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.062 -1.665 3.957 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.467 0.662 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.768 1.757 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.138 0.278 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.605 0.263 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.162 1.943 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -7.095 0.457 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.279 0.601 4.216 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.127 -3.494 3.484 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.256 -4.847 2.952 1.00 0.00 C ATOM 2034 C PRO A 126 -6.909 -5.464 2.576 1.00 0.00 C ATOM 2035 O PRO A 126 -6.855 -6.459 1.854 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.108 -4.626 1.708 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.712 -3.272 1.216 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.274 -2.478 2.425 1.00 0.00 C ATOM 0 HA PRO A 126 -8.682 -5.541 3.676 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.918 -5.392 0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.171 -4.667 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -7.903 -3.346 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.548 -2.783 0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.336 -1.955 2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.012 -1.723 2.696 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.824 -4.870 3.067 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.486 -5.368 2.777 1.00 0.00 C ATOM 2048 C ILE A 127 -3.536 -5.102 3.941 1.00 0.00 C ATOM 2049 O ILE A 127 -3.854 -4.338 4.851 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.911 -4.722 1.501 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.091 -3.203 1.546 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.583 -5.303 0.267 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.141 -2.508 2.498 1.00 0.00 C ATOM 0 H ILE A 127 -5.847 -4.045 3.666 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.575 -6.443 2.623 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.844 -4.941 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.948 -2.799 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.116 -2.975 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.167 -4.838 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.409 -6.378 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.655 -5.110 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.326 -1.434 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.299 -2.884 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.113 -2.705 2.194 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.371 -5.740 3.904 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.375 -5.575 4.956 1.00 0.00 C ATOM 2067 C LYS A 128 -0.651 -4.238 4.819 1.00 0.00 C ATOM 2068 O LYS A 128 -0.365 -3.786 3.709 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.366 -6.726 4.917 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.527 -7.714 6.060 1.00 0.00 C ATOM 2071 CD LYS A 128 0.056 -7.169 7.354 1.00 0.00 C ATOM 2072 CE LYS A 128 0.581 -8.284 8.244 1.00 0.00 C ATOM 2073 NZ LYS A 128 -0.270 -8.481 9.450 1.00 0.00 N ATOM 0 H LYS A 128 -2.093 -6.376 3.157 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.891 -5.588 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.470 -7.257 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.643 -6.315 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.584 -7.938 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.034 -8.652 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.864 -6.474 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.708 -6.605 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.624 -9.213 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 128 1.600 -8.052 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 0.122 -9.250 10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -0.291 -7.603 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -1.237 -8.728 9.156 1.00 0.00 H new ATOM 2087 N THR A 129 -0.358 -3.613 5.954 1.00 0.00 N ATOM 2088 CA THR A 129 0.334 -2.329 5.967 1.00 0.00 C ATOM 2089 C THR A 129 1.314 -2.257 7.134 1.00 0.00 C ATOM 2090 O THR A 129 1.056 -2.807 8.205 1.00 0.00 O ATOM 2091 CB THR A 129 -0.675 -1.186 6.068 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.408 -1.268 7.277 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.670 -1.160 4.929 1.00 0.00 C ATOM 0 H THR A 129 -0.589 -3.975 6.879 1.00 0.00 H new ATOM 0 HA THR A 129 0.892 -2.233 5.036 1.00 0.00 H new ATOM 0 HB THR A 129 -0.079 -0.274 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 129 -2.101 -1.955 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.356 -0.324 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.139 -1.044 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.233 -2.093 4.917 1.00 0.00 H new ATOM 2101 N LYS A 130 2.438 -1.579 6.924 1.00 0.00 N ATOM 2102 CA LYS A 130 3.448 -1.446 7.971 1.00 0.00 C ATOM 2103 C LYS A 130 3.917 -0.001 8.107 1.00 0.00 C ATOM 2104 O LYS A 130 3.877 0.770 7.148 1.00 0.00 O ATOM 2105 CB LYS A 130 4.641 -2.354 7.673 1.00 0.00 C ATOM 2106 CG LYS A 130 5.249 -2.125 6.300 1.00 0.00 C ATOM 2107 CD LYS A 130 6.708 -2.547 6.258 1.00 0.00 C ATOM 2108 CE LYS A 130 7.421 -1.964 5.049 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.895 -2.152 5.128 1.00 0.00 N ATOM 0 H LYS A 130 2.672 -1.116 6.046 1.00 0.00 H new ATOM 0 HA LYS A 130 2.993 -1.747 8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.407 -2.195 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.325 -3.394 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.686 -2.685 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.167 -1.071 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.209 -2.221 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.773 -3.635 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.043 -2.437 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.195 -0.901 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.343 -1.740 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.260 -1.679 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.113 -3.168 5.175 1.00 0.00 H new ATOM 2123 N ILE A 131 4.370 0.358 9.307 1.00 0.00 N ATOM 2124 CA ILE A 131 4.859 1.708 9.568 1.00 0.00 C ATOM 2125 C ILE A 131 6.324 1.829 9.168 1.00 0.00 C ATOM 2126 O ILE A 131 7.117 0.923 9.421 1.00 0.00 O ATOM 2127 CB ILE A 131 4.732 2.101 11.058 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.523 1.422 11.710 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.641 3.615 11.201 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.206 1.761 11.052 1.00 0.00 C ATOM 0 H ILE A 131 4.408 -0.267 10.112 1.00 0.00 H new ATOM 0 HA ILE A 131 4.240 2.381 8.974 1.00 0.00 H new ATOM 0 HB ILE A 131 5.626 1.755 11.576 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.665 0.342 11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.479 1.710 12.760 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.552 3.876 12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.539 4.074 10.788 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.767 3.979 10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.397 1.244 11.568 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.040 2.837 11.104 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.229 1.447 10.008 1.00 0.00 H new ATOM 2142 N VAL A 132 6.684 2.945 8.544 1.00 0.00 N ATOM 2143 CA VAL A 132 8.061 3.154 8.123 1.00 0.00 C ATOM 2144 C VAL A 132 8.447 4.630 8.147 1.00 0.00 C ATOM 2145 O VAL A 132 7.773 5.472 7.554 1.00 0.00 O ATOM 2146 CB VAL A 132 8.310 2.599 6.707 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.771 1.184 6.580 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.690 3.510 5.659 1.00 0.00 C ATOM 0 H VAL A 132 6.048 3.711 8.321 1.00 0.00 H new ATOM 0 HA VAL A 132 8.681 2.614 8.838 1.00 0.00 H new ATOM 0 HB VAL A 132 9.386 2.566 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.958 0.813 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.270 0.538 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.698 1.185 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.876 3.102 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.615 3.579 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.133 4.503 5.732 1.00 0.00 H new ATOM 2158 N ARG A 133 9.551 4.924 8.815 1.00 0.00 N ATOM 2159 CA ARG A 133 10.059 6.285 8.900 1.00 0.00 C ATOM 2160 C ARG A 133 10.555 6.741 7.530 1.00 0.00 C ATOM 2161 O ARG A 133 10.712 5.926 6.624 1.00 0.00 O ATOM 2162 CB ARG A 133 11.180 6.379 9.935 1.00 0.00 C ATOM 2163 CG ARG A 133 11.084 7.608 10.825 1.00 0.00 C ATOM 2164 CD ARG A 133 11.718 7.365 12.185 1.00 0.00 C ATOM 2165 NE ARG A 133 12.591 8.465 12.587 1.00 0.00 N ATOM 2166 CZ ARG A 133 13.828 8.636 12.127 1.00 0.00 C ATOM 2167 NH1 ARG A 133 14.341 7.783 11.249 1.00 0.00 N ATOM 2168 NH2 ARG A 133 14.555 9.663 12.546 1.00 0.00 N ATOM 0 H ARG A 133 10.116 4.234 9.309 1.00 0.00 H new ATOM 0 HA ARG A 133 9.249 6.942 9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.162 5.486 10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.140 6.388 9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.577 8.450 10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.037 7.883 10.955 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.935 7.233 12.931 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.292 6.439 12.157 1.00 0.00 H new ATOM 0 HE ARG A 133 12.231 9.142 13.260 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.787 6.991 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.290 7.919 10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.166 10.322 13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.503 9.794 12.194 1.00 0.00 H new