USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=12 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 180:sc= 0.0851 USER MOD Set 1.2: A 46 GLN : amide:sc= -2.42 K(o=-2.3,f=-12!) USER MOD Single : A 32 TYR OH : rot -26:sc= -0.771 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.03 F(o=-2.1!,f=-1) USER MOD Single : A 54 MET CE :methyl -119:sc= -8.83! (180deg=-13.1!) USER MOD Single : A 57 HIS : no HE2:sc= -3.7 K(o=-3.7,f=-7.3!) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 0.0239 (180deg=-0.237) USER MOD Single : A 98 LYS NZ :NH3+ -142:sc= -1.31 (180deg=-3.26!) USER MOD Single : A 103 MET CE :methyl -157:sc= -12.3! (180deg=-15.4!) USER MOD Single : A 110 THR OG1 : rot -141:sc= -1.03 USER MOD Single : A 113 GLN : amide:sc= -0.534 K(o=-0.53,f=-10!) USER MOD Single : A 115 MET CE :methyl -161:sc= -0.419 (180deg=-0.871) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -175:sc= -1.38 (180deg=-1.52) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -69:sc= -0.511 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.278 12.261 9.024 1.00 0.00 N ATOM 508 CA ASP A 31 8.386 11.462 9.535 1.00 0.00 C ATOM 509 C ASP A 31 8.149 9.975 9.283 1.00 0.00 C ATOM 510 O ASP A 31 9.067 9.245 8.910 1.00 0.00 O ATOM 511 CB ASP A 31 8.575 11.713 11.032 1.00 0.00 C ATOM 512 CG ASP A 31 9.088 13.109 11.323 1.00 0.00 C ATOM 513 OD1 ASP A 31 9.770 13.686 10.450 1.00 0.00 O ATOM 514 OD2 ASP A 31 8.808 13.627 12.425 1.00 0.00 O ATOM 0 HA ASP A 31 9.290 11.762 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.625 11.563 11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.274 10.980 11.435 1.00 0.00 H new ATOM 519 N TYR A 32 6.913 9.535 9.492 1.00 0.00 N ATOM 520 CA TYR A 32 6.556 8.136 9.288 1.00 0.00 C ATOM 521 C TYR A 32 5.735 7.962 8.017 1.00 0.00 C ATOM 522 O TYR A 32 5.275 8.938 7.424 1.00 0.00 O ATOM 523 CB TYR A 32 5.774 7.605 10.487 1.00 0.00 C ATOM 524 CG TYR A 32 6.645 7.262 11.672 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.639 6.293 11.572 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.474 7.904 12.891 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.433 5.975 12.656 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.266 7.591 13.979 1.00 0.00 C ATOM 529 CZ TYR A 32 8.243 6.625 13.857 1.00 0.00 C ATOM 530 OH TYR A 32 9.033 6.311 14.939 1.00 0.00 O ATOM 0 H TYR A 32 6.142 10.126 9.802 1.00 0.00 H new ATOM 0 HA TYR A 32 7.479 7.566 9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.039 8.351 10.790 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.220 6.716 10.184 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.792 5.782 10.633 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.710 8.660 12.990 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.200 5.220 12.563 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.121 8.100 14.920 1.00 0.00 H new ATOM 0 HH TYR A 32 9.366 5.394 14.846 1.00 0.00 H new ATOM 540 N GLY A 33 5.555 6.712 7.604 1.00 0.00 N ATOM 541 CA GLY A 33 4.790 6.435 6.405 1.00 0.00 C ATOM 542 C GLY A 33 4.112 5.081 6.446 1.00 0.00 C ATOM 543 O GLY A 33 4.758 4.063 6.693 1.00 0.00 O ATOM 0 H GLY A 33 5.925 5.888 8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.036 7.211 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.450 6.481 5.539 1.00 0.00 H new ATOM 547 N LEU A 34 2.809 5.067 6.192 1.00 0.00 N ATOM 548 CA LEU A 34 2.047 3.825 6.190 1.00 0.00 C ATOM 549 C LEU A 34 2.024 3.234 4.787 1.00 0.00 C ATOM 550 O LEU A 34 1.286 3.697 3.919 1.00 0.00 O ATOM 551 CB LEU A 34 0.619 4.069 6.684 1.00 0.00 C ATOM 552 CG LEU A 34 -0.166 2.816 7.085 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.754 2.143 5.856 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.717 1.843 7.857 1.00 0.00 C ATOM 0 H LEU A 34 2.259 5.901 5.985 1.00 0.00 H new ATOM 0 HA LEU A 34 2.528 3.119 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.660 4.740 7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.066 4.587 5.900 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.983 3.121 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.309 1.255 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.426 2.835 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.050 1.856 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.136 0.962 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.559 1.543 7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.088 2.327 8.760 1.00 0.00 H new ATOM 566 N VAL A 35 2.853 2.222 4.569 1.00 0.00 N ATOM 567 CA VAL A 35 2.948 1.583 3.267 1.00 0.00 C ATOM 568 C VAL A 35 2.020 0.381 3.149 1.00 0.00 C ATOM 569 O VAL A 35 1.807 -0.356 4.110 1.00 0.00 O ATOM 570 CB VAL A 35 4.388 1.126 2.968 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.931 0.283 4.110 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.444 0.349 1.662 1.00 0.00 C ATOM 0 H VAL A 35 3.469 1.827 5.279 1.00 0.00 H new ATOM 0 HA VAL A 35 2.645 2.336 2.540 1.00 0.00 H new ATOM 0 HB VAL A 35 5.012 2.014 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.949 -0.030 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.931 0.871 5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.302 -0.597 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.470 0.035 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.803 -0.530 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.099 0.984 0.846 1.00 0.00 H new ATOM 582 N ALA A 36 1.496 0.181 1.945 1.00 0.00 N ATOM 583 CA ALA A 36 0.616 -0.940 1.665 1.00 0.00 C ATOM 584 C ALA A 36 1.410 -2.068 1.015 1.00 0.00 C ATOM 585 O ALA A 36 1.869 -1.937 -0.119 1.00 0.00 O ATOM 586 CB ALA A 36 -0.526 -0.500 0.762 1.00 0.00 C ATOM 0 H ALA A 36 1.669 0.788 1.144 1.00 0.00 H new ATOM 0 HA ALA A 36 0.191 -1.304 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.178 -1.350 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.097 0.287 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.122 -0.121 -0.177 1.00 0.00 H new ATOM 592 N LEU A 37 1.583 -3.164 1.748 1.00 0.00 N ATOM 593 CA LEU A 37 2.340 -4.313 1.255 1.00 0.00 C ATOM 594 C LEU A 37 1.498 -5.203 0.339 1.00 0.00 C ATOM 595 O LEU A 37 1.954 -6.262 -0.094 1.00 0.00 O ATOM 596 CB LEU A 37 2.864 -5.134 2.432 1.00 0.00 C ATOM 597 CG LEU A 37 3.459 -4.312 3.577 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.460 -5.114 4.869 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.867 -3.857 3.223 1.00 0.00 C ATOM 0 H LEU A 37 1.208 -3.282 2.689 1.00 0.00 H new ATOM 0 HA LEU A 37 3.175 -3.929 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.048 -5.740 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.625 -5.823 2.065 1.00 0.00 H new ATOM 0 HG LEU A 37 2.839 -3.428 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.887 -4.512 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.437 -5.389 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.056 -6.017 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.278 -3.273 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.497 -4.728 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.835 -3.243 2.323 1.00 0.00 H new ATOM 611 N GLU A 38 0.271 -4.778 0.046 1.00 0.00 N ATOM 612 CA GLU A 38 -0.615 -5.551 -0.819 1.00 0.00 C ATOM 613 C GLU A 38 -1.555 -4.627 -1.590 1.00 0.00 C ATOM 614 O GLU A 38 -2.058 -3.647 -1.042 1.00 0.00 O ATOM 615 CB GLU A 38 -1.420 -6.555 0.010 1.00 0.00 C ATOM 616 CG GLU A 38 -2.358 -7.420 -0.816 1.00 0.00 C ATOM 617 CD GLU A 38 -1.694 -8.691 -1.310 1.00 0.00 C ATOM 618 OE1 GLU A 38 -0.531 -8.619 -1.758 1.00 0.00 O ATOM 619 OE2 GLU A 38 -2.339 -9.759 -1.249 1.00 0.00 O ATOM 0 H GLU A 38 -0.130 -3.907 0.393 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.005 -6.098 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.729 -7.200 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.002 -6.013 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.230 -7.679 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.718 -6.846 -1.670 1.00 0.00 H new ATOM 626 N PRO A 39 -1.802 -4.921 -2.880 1.00 0.00 N ATOM 627 CA PRO A 39 -2.681 -4.101 -3.719 1.00 0.00 C ATOM 628 C PRO A 39 -4.137 -4.155 -3.274 1.00 0.00 C ATOM 629 O PRO A 39 -4.653 -5.218 -2.923 1.00 0.00 O ATOM 630 CB PRO A 39 -2.526 -4.717 -5.113 1.00 0.00 C ATOM 631 CG PRO A 39 -2.086 -6.117 -4.863 1.00 0.00 C ATOM 632 CD PRO A 39 -1.240 -6.064 -3.624 1.00 0.00 C ATOM 0 HA PRO A 39 -2.411 -3.046 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.466 -4.690 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.793 -4.172 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.942 -6.777 -4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.518 -6.505 -5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.307 -6.989 -3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.187 -5.911 -3.862 1.00 0.00 H new ATOM 640 N ALA A 40 -4.797 -3.001 -3.293 1.00 0.00 N ATOM 641 CA ALA A 40 -6.196 -2.912 -2.896 1.00 0.00 C ATOM 642 C ALA A 40 -6.804 -1.582 -3.329 1.00 0.00 C ATOM 643 O ALA A 40 -6.094 -0.676 -3.766 1.00 0.00 O ATOM 644 CB ALA A 40 -6.331 -3.089 -1.390 1.00 0.00 C ATOM 0 H ALA A 40 -4.384 -2.114 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.741 -3.713 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.382 -3.020 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.941 -4.065 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.767 -2.308 -0.880 1.00 0.00 H new ATOM 650 N TRP A 41 -8.122 -1.471 -3.201 1.00 0.00 N ATOM 651 CA TRP A 41 -8.826 -0.251 -3.574 1.00 0.00 C ATOM 652 C TRP A 41 -9.295 0.499 -2.332 1.00 0.00 C ATOM 653 O TRP A 41 -10.240 0.080 -1.663 1.00 0.00 O ATOM 654 CB TRP A 41 -10.026 -0.581 -4.466 1.00 0.00 C ATOM 655 CG TRP A 41 -9.654 -1.320 -5.714 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.633 -1.023 -6.569 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.302 -2.479 -6.248 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.606 -1.928 -7.603 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.620 -2.832 -7.428 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.391 -3.253 -5.841 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -9.995 -3.926 -8.205 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.762 -4.339 -6.613 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.065 -4.667 -7.782 1.00 0.00 C ATOM 0 H TRP A 41 -8.724 -2.212 -2.842 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.136 0.386 -4.128 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.738 -1.179 -3.897 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.532 0.345 -4.738 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.947 -0.198 -6.451 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.939 -1.927 -8.375 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.934 -3.008 -4.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.461 -4.180 -9.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.603 -4.944 -6.309 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.378 -5.523 -8.362 1.00 0.00 H new ATOM 674 N ILE A 42 -8.629 1.606 -2.025 1.00 0.00 N ATOM 675 CA ILE A 42 -8.982 2.407 -0.859 1.00 0.00 C ATOM 676 C ILE A 42 -10.129 3.361 -1.172 1.00 0.00 C ATOM 677 O ILE A 42 -10.019 4.214 -2.053 1.00 0.00 O ATOM 678 CB ILE A 42 -7.781 3.221 -0.343 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.525 2.347 -0.290 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.086 3.801 1.031 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.632 1.195 0.685 1.00 0.00 C ATOM 0 H ILE A 42 -7.844 1.969 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.294 1.707 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.598 4.044 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.324 1.952 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.672 2.967 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.228 4.374 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.956 4.454 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.293 2.991 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.707 0.619 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.802 1.583 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.465 0.552 0.399 1.00 0.00 H new ATOM 693 N THR A 43 -11.230 3.211 -0.444 1.00 0.00 N ATOM 694 CA THR A 43 -12.400 4.056 -0.639 1.00 0.00 C ATOM 695 C THR A 43 -12.208 5.413 0.025 1.00 0.00 C ATOM 696 O THR A 43 -11.216 5.643 0.718 1.00 0.00 O ATOM 697 CB THR A 43 -13.643 3.375 -0.068 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.301 2.538 1.022 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.379 2.529 -1.081 1.00 0.00 C ATOM 0 H THR A 43 -11.336 2.509 0.289 1.00 0.00 H new ATOM 0 HA THR A 43 -12.532 4.209 -1.710 1.00 0.00 H new ATOM 0 HB THR A 43 -14.297 4.187 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.110 2.113 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.251 2.074 -0.611 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.701 3.155 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.717 1.746 -1.451 1.00 0.00 H new ATOM 707 N ALA A 44 -13.164 6.308 -0.189 1.00 0.00 N ATOM 708 CA ALA A 44 -13.102 7.642 0.392 1.00 0.00 C ATOM 709 C ALA A 44 -13.119 7.573 1.914 1.00 0.00 C ATOM 710 O ALA A 44 -12.373 8.287 2.584 1.00 0.00 O ATOM 711 CB ALA A 44 -14.258 8.492 -0.114 1.00 0.00 C ATOM 0 H ALA A 44 -13.991 6.134 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.165 8.106 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.199 9.486 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.202 8.574 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.202 8.026 0.166 1.00 0.00 H new ATOM 717 N GLN A 45 -13.978 6.714 2.456 1.00 0.00 N ATOM 718 CA GLN A 45 -14.106 6.547 3.874 1.00 0.00 C ATOM 719 C GLN A 45 -12.790 6.139 4.524 1.00 0.00 C ATOM 720 O GLN A 45 -12.436 6.644 5.579 1.00 0.00 O ATOM 721 CB GLN A 45 -15.164 5.491 4.114 1.00 0.00 C ATOM 722 CG GLN A 45 -16.369 6.018 4.846 1.00 0.00 C ATOM 723 CD GLN A 45 -16.506 5.454 6.247 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.333 6.308 7.249 1.00 0.00 O flip ATOM 725 NE2 GLN A 45 -16.764 4.264 6.427 1.00 0.00 N flip ATOM 0 H GLN A 45 -14.601 6.119 1.910 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.391 7.497 4.326 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.480 5.078 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.728 4.672 4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.306 7.105 4.903 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.267 5.780 4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.889 3.643 5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.853 3.899 7.375 1.00 0.00 H new ATOM 734 N GLN A 46 -12.069 5.221 3.899 1.00 0.00 N ATOM 735 CA GLN A 46 -10.805 4.758 4.454 1.00 0.00 C ATOM 736 C GLN A 46 -9.829 5.919 4.627 1.00 0.00 C ATOM 737 O GLN A 46 -9.042 5.942 5.574 1.00 0.00 O ATOM 738 CB GLN A 46 -10.195 3.676 3.563 1.00 0.00 C ATOM 739 CG GLN A 46 -10.616 2.269 3.954 1.00 0.00 C ATOM 740 CD GLN A 46 -10.673 1.326 2.769 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.720 1.760 1.618 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.672 0.027 3.044 1.00 0.00 N ATOM 0 H GLN A 46 -12.333 4.785 3.016 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.002 4.330 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.485 3.861 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.108 3.748 3.607 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.917 1.877 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.595 2.306 4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.632 -0.289 4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.711 -0.655 2.286 1.00 0.00 H new ATOM 751 N ILE A 47 -9.887 6.880 3.715 1.00 0.00 N ATOM 752 CA ILE A 47 -9.008 8.040 3.776 1.00 0.00 C ATOM 753 C ILE A 47 -9.394 8.978 4.921 1.00 0.00 C ATOM 754 O ILE A 47 -8.544 9.382 5.714 1.00 0.00 O ATOM 755 CB ILE A 47 -9.024 8.829 2.453 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.769 7.891 1.271 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.986 9.942 2.485 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.264 8.437 -0.051 1.00 0.00 C ATOM 0 H ILE A 47 -10.532 6.880 2.925 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.003 7.658 3.953 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.008 9.281 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.699 7.696 1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.255 6.935 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.010 10.490 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.208 10.623 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.995 9.511 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.050 7.720 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.339 8.606 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.760 9.379 -0.268 1.00 0.00 H new ATOM 770 N GLU A 48 -10.675 9.327 4.996 1.00 0.00 N ATOM 771 CA GLU A 48 -11.163 10.227 6.039 1.00 0.00 C ATOM 772 C GLU A 48 -11.446 9.478 7.341 1.00 0.00 C ATOM 773 O GLU A 48 -11.055 9.921 8.421 1.00 0.00 O ATOM 774 CB GLU A 48 -12.428 10.945 5.568 1.00 0.00 C ATOM 775 CG GLU A 48 -12.570 12.355 6.120 1.00 0.00 C ATOM 776 CD GLU A 48 -12.750 13.394 5.031 1.00 0.00 C ATOM 777 OE1 GLU A 48 -12.243 13.175 3.912 1.00 0.00 O ATOM 778 OE2 GLU A 48 -13.398 14.427 5.299 1.00 0.00 O ATOM 0 H GLU A 48 -11.393 9.002 4.349 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.381 10.960 6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.427 10.989 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.299 10.359 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.424 12.392 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.686 12.601 6.709 1.00 0.00 H new ATOM 785 N ALA A 49 -12.132 8.346 7.230 1.00 0.00 N ATOM 786 CA ALA A 49 -12.475 7.535 8.397 1.00 0.00 C ATOM 787 C ALA A 49 -11.230 7.177 9.203 1.00 0.00 C ATOM 788 O ALA A 49 -11.210 7.315 10.426 1.00 0.00 O ATOM 789 CB ALA A 49 -13.214 6.271 7.971 1.00 0.00 C ATOM 0 H ALA A 49 -12.463 7.967 6.343 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.132 8.126 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.461 5.680 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.131 6.544 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.579 5.684 7.307 1.00 0.00 H new ATOM 795 N ALA A 50 -10.193 6.721 8.510 1.00 0.00 N ATOM 796 CA ALA A 50 -8.945 6.348 9.162 1.00 0.00 C ATOM 797 C ALA A 50 -8.263 7.569 9.769 1.00 0.00 C ATOM 798 O ALA A 50 -7.723 7.506 10.873 1.00 0.00 O ATOM 799 CB ALA A 50 -8.017 5.659 8.173 1.00 0.00 C ATOM 0 H ALA A 50 -10.192 6.601 7.497 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.176 5.652 9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.089 5.386 8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.499 4.760 7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.798 6.336 7.347 1.00 0.00 H new ATOM 805 N ARG A 51 -8.294 8.680 9.041 1.00 0.00 N ATOM 806 CA ARG A 51 -7.681 9.918 9.508 1.00 0.00 C ATOM 807 C ARG A 51 -8.305 10.365 10.826 1.00 0.00 C ATOM 808 O ARG A 51 -7.602 10.774 11.750 1.00 0.00 O ATOM 809 CB ARG A 51 -7.836 11.017 8.453 1.00 0.00 C ATOM 810 CG ARG A 51 -6.515 11.632 8.018 1.00 0.00 C ATOM 811 CD ARG A 51 -6.519 13.144 8.182 1.00 0.00 C ATOM 812 NE ARG A 51 -5.884 13.819 7.053 1.00 0.00 N ATOM 813 CZ ARG A 51 -5.888 15.140 6.882 1.00 0.00 C ATOM 814 NH1 ARG A 51 -6.493 15.929 7.762 1.00 0.00 N ATOM 815 NH2 ARG A 51 -5.287 15.673 5.828 1.00 0.00 N ATOM 0 H ARG A 51 -8.737 8.749 8.125 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.620 9.733 9.673 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.340 10.603 7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.480 11.802 8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.703 11.204 8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.321 11.379 6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.546 13.495 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.999 13.410 9.102 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.410 13.246 6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.958 15.524 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.493 16.940 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.822 15.072 5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.290 16.685 5.697 1.00 0.00 H new ATOM 829 N VAL A 52 -9.629 10.279 10.907 1.00 0.00 N ATOM 830 CA VAL A 52 -10.350 10.671 12.112 1.00 0.00 C ATOM 831 C VAL A 52 -9.877 9.865 13.318 1.00 0.00 C ATOM 832 O VAL A 52 -9.698 10.409 14.408 1.00 0.00 O ATOM 833 CB VAL A 52 -11.870 10.481 11.942 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.616 11.015 13.156 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.355 11.156 10.666 1.00 0.00 C ATOM 0 H VAL A 52 -10.225 9.941 10.151 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.141 11.728 12.280 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.076 9.414 11.860 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.688 10.872 13.017 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.291 10.479 14.048 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.405 12.078 13.275 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.430 11.011 10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.136 12.223 10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.846 10.718 9.807 1.00 0.00 H new ATOM 845 N ALA A 53 -9.675 8.569 13.113 1.00 0.00 N ATOM 846 CA ALA A 53 -9.221 7.686 14.181 1.00 0.00 C ATOM 847 C ALA A 53 -7.782 8.000 14.575 1.00 0.00 C ATOM 848 O ALA A 53 -7.426 7.959 15.752 1.00 0.00 O ATOM 849 CB ALA A 53 -9.347 6.234 13.749 1.00 0.00 C ATOM 0 H ALA A 53 -9.819 8.105 12.216 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.853 7.851 15.053 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.005 5.584 14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.389 6.011 13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.737 6.064 12.862 1.00 0.00 H new ATOM 855 N MET A 54 -6.959 8.311 13.579 1.00 0.00 N ATOM 856 CA MET A 54 -5.556 8.630 13.816 1.00 0.00 C ATOM 857 C MET A 54 -5.404 9.986 14.498 1.00 0.00 C ATOM 858 O MET A 54 -4.692 10.113 15.493 1.00 0.00 O ATOM 859 CB MET A 54 -4.787 8.623 12.496 1.00 0.00 C ATOM 860 CG MET A 54 -4.678 7.245 11.867 1.00 0.00 C ATOM 861 SD MET A 54 -3.460 7.180 10.542 1.00 0.00 S ATOM 862 CE MET A 54 -4.428 7.791 9.165 1.00 0.00 C ATOM 0 H MET A 54 -7.240 8.349 12.599 1.00 0.00 H new ATOM 0 HA MET A 54 -5.145 7.869 14.479 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.279 9.296 11.794 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.785 9.017 12.666 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.412 6.519 12.636 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.652 6.951 11.475 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.485 7.025 8.392 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.433 8.037 9.508 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.956 8.684 8.756 1.00 0.00 H new ATOM 872 N VAL A 55 -6.075 10.997 13.954 1.00 0.00 N ATOM 873 CA VAL A 55 -6.009 12.343 14.510 1.00 0.00 C ATOM 874 C VAL A 55 -6.433 12.354 15.974 1.00 0.00 C ATOM 875 O VAL A 55 -5.837 13.047 16.798 1.00 0.00 O ATOM 876 CB VAL A 55 -6.901 13.321 13.718 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.753 14.740 14.251 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.569 13.264 12.234 1.00 0.00 C ATOM 0 H VAL A 55 -6.670 10.909 13.130 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.971 12.668 14.434 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.940 13.018 13.848 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.391 15.412 13.678 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.047 14.767 15.300 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.714 15.057 14.157 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.208 13.960 11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.525 13.538 12.084 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.736 12.253 11.862 1.00 0.00 H new ATOM 888 N ARG A 56 -7.465 11.581 16.290 1.00 0.00 N ATOM 889 CA ARG A 56 -7.968 11.499 17.653 1.00 0.00 C ATOM 890 C ARG A 56 -7.040 10.662 18.529 1.00 0.00 C ATOM 891 O ARG A 56 -6.950 10.879 19.737 1.00 0.00 O ATOM 892 CB ARG A 56 -9.376 10.899 17.660 1.00 0.00 C ATOM 893 CG ARG A 56 -10.472 11.918 17.397 1.00 0.00 C ATOM 894 CD ARG A 56 -11.672 11.284 16.713 1.00 0.00 C ATOM 895 NE ARG A 56 -12.724 10.934 17.665 1.00 0.00 N ATOM 896 CZ ARG A 56 -12.753 9.798 18.360 1.00 0.00 C ATOM 897 NH1 ARG A 56 -11.788 8.897 18.216 1.00 0.00 N ATOM 898 NH2 ARG A 56 -13.749 9.563 19.203 1.00 0.00 N ATOM 0 H ARG A 56 -7.970 11.002 15.619 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.007 12.509 18.062 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.432 10.115 16.905 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.555 10.425 18.625 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.785 12.368 18.339 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.080 12.722 16.774 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.071 11.973 15.969 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.354 10.389 16.179 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.483 11.601 17.806 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.018 9.073 17.570 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.816 8.029 18.751 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.492 10.252 19.319 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.772 8.693 19.736 1.00 0.00 H new ATOM 912 N HIS A 57 -6.357 9.703 17.913 1.00 0.00 N ATOM 913 CA HIS A 57 -5.439 8.830 18.638 1.00 0.00 C ATOM 914 C HIS A 57 -4.308 9.628 19.281 1.00 0.00 C ATOM 915 O HIS A 57 -4.085 9.539 20.489 1.00 0.00 O ATOM 916 CB HIS A 57 -4.859 7.769 17.700 1.00 0.00 C ATOM 917 CG HIS A 57 -4.211 6.629 18.421 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.919 5.707 19.163 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.911 6.264 18.514 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.083 4.825 19.681 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.859 5.141 19.303 1.00 0.00 N ATOM 0 H HIS A 57 -6.421 9.510 16.913 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.004 8.338 19.430 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.656 7.382 17.065 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.126 8.237 17.043 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.931 5.706 19.292 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.071 6.763 18.054 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.355 3.988 20.307 1.00 0.00 H new ATOM 930 N PHE A 58 -3.593 10.404 18.469 1.00 0.00 N ATOM 931 CA PHE A 58 -2.482 11.213 18.967 1.00 0.00 C ATOM 932 C PHE A 58 -2.888 11.994 20.216 1.00 0.00 C ATOM 933 O PHE A 58 -3.630 12.973 20.134 1.00 0.00 O ATOM 934 CB PHE A 58 -1.995 12.181 17.886 1.00 0.00 C ATOM 935 CG PHE A 58 -1.817 11.545 16.536 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.831 10.591 16.325 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.634 11.902 15.476 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.667 10.008 15.083 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.475 11.322 14.233 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.490 10.373 14.036 1.00 0.00 C ATOM 0 H PHE A 58 -3.762 10.490 17.467 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.670 10.536 19.230 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.707 13.002 17.799 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.046 12.614 18.201 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.185 10.301 17.141 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.405 12.643 15.624 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.104 9.267 14.931 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.120 11.610 13.416 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.364 9.918 13.065 1.00 0.00 H new ATOM 950 N ARG A 59 -2.398 11.551 21.369 1.00 0.00 N ATOM 951 CA ARG A 59 -2.710 12.205 22.635 1.00 0.00 C ATOM 952 C ARG A 59 -2.286 13.669 22.615 1.00 0.00 C ATOM 953 O ARG A 59 -2.957 14.529 23.185 1.00 0.00 O ATOM 954 CB ARG A 59 -2.021 11.479 23.792 1.00 0.00 C ATOM 955 CG ARG A 59 -2.588 10.096 24.064 1.00 0.00 C ATOM 956 CD ARG A 59 -1.517 9.146 24.575 1.00 0.00 C ATOM 957 NE ARG A 59 -0.949 8.333 23.501 1.00 0.00 N ATOM 958 CZ ARG A 59 -1.534 7.246 23.004 1.00 0.00 C ATOM 959 NH1 ARG A 59 -2.704 6.837 23.478 1.00 0.00 N ATOM 960 NH2 ARG A 59 -0.948 6.565 22.028 1.00 0.00 N ATOM 0 H ARG A 59 -1.783 10.742 21.453 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.790 12.162 22.778 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.957 11.390 23.572 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.111 12.084 24.695 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.391 10.169 24.797 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.026 9.695 23.150 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.723 9.719 25.055 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.944 8.494 25.336 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.051 8.616 23.109 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.160 7.357 24.228 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.147 6.003 23.093 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.049 6.875 21.659 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.396 5.732 21.647 1.00 0.00 H new ATOM 974 N ARG A 60 -1.167 13.946 21.954 1.00 0.00 N ATOM 975 CA ARG A 60 -0.652 15.306 21.859 1.00 0.00 C ATOM 976 C ARG A 60 -0.921 15.895 20.478 1.00 0.00 C ATOM 977 O ARG A 60 -0.131 16.689 19.967 1.00 0.00 O ATOM 978 CB ARG A 60 0.850 15.327 22.154 1.00 0.00 C ATOM 979 CG ARG A 60 1.233 14.574 23.417 1.00 0.00 C ATOM 980 CD ARG A 60 2.685 14.817 23.791 1.00 0.00 C ATOM 981 NE ARG A 60 2.901 14.730 25.233 1.00 0.00 N ATOM 982 CZ ARG A 60 4.094 14.546 25.794 1.00 0.00 C ATOM 983 NH1 ARG A 60 5.179 14.430 25.040 1.00 0.00 N ATOM 984 NH2 ARG A 60 4.202 14.479 27.114 1.00 0.00 N ATOM 0 H ARG A 60 -0.600 13.246 21.476 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.169 15.916 22.600 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.384 14.895 21.308 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.180 16.362 22.244 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.588 14.886 24.238 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.068 13.507 23.270 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.317 14.087 23.285 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.990 15.802 23.438 1.00 0.00 H new ATOM 0 HE ARG A 60 2.090 14.815 25.846 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.102 14.482 24.024 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.090 14.289 25.476 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.371 14.568 27.699 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.116 14.338 27.544 1.00 0.00 H new ATOM 998 N GLY A 61 -2.039 15.500 19.881 1.00 0.00 N ATOM 999 CA GLY A 61 -2.393 15.999 18.565 1.00 0.00 C ATOM 1000 C GLY A 61 -1.465 15.485 17.481 1.00 0.00 C ATOM 1001 O GLY A 61 -0.517 14.752 17.763 1.00 0.00 O ATOM 0 H GLY A 61 -2.707 14.843 20.284 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.417 15.706 18.332 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.368 17.089 18.574 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.739 15.871 16.239 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.912 15.435 15.129 1.00 0.00 C ATOM 1007 C GLY A 62 -1.621 15.553 13.795 1.00 0.00 C ATOM 1008 O GLY A 62 -2.847 15.475 13.726 1.00 0.00 O ATOM 0 H GLY A 62 -2.518 16.477 15.982 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.001 16.030 15.105 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.614 14.399 15.288 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.846 15.740 12.731 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.405 15.868 11.390 1.00 0.00 C ATOM 1014 C LYS A 63 -0.955 14.711 10.504 1.00 0.00 C ATOM 1015 O LYS A 63 0.120 14.145 10.704 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.987 17.200 10.764 1.00 0.00 C ATOM 1017 CG LYS A 63 0.516 17.343 10.586 1.00 0.00 C ATOM 1018 CD LYS A 63 0.932 18.804 10.529 1.00 0.00 C ATOM 1019 CE LYS A 63 2.435 18.961 10.694 1.00 0.00 C ATOM 1020 NZ LYS A 63 2.883 18.621 12.073 1.00 0.00 N ATOM 0 H LYS A 63 0.171 15.806 12.772 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.492 15.840 11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.471 17.303 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.350 18.016 11.389 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.030 16.849 11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.825 16.839 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.622 19.235 9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.419 19.361 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.947 18.319 9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.720 19.987 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.814 19.049 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.196 18.989 12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.952 17.588 12.171 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.785 14.363 9.525 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.470 13.271 8.611 1.00 0.00 C ATOM 1036 C ILE A 64 -1.548 13.726 7.159 1.00 0.00 C ATOM 1037 O ILE A 64 -2.541 14.315 6.734 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.423 12.072 8.801 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.805 11.907 10.272 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.782 10.798 8.273 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.771 10.769 10.518 1.00 0.00 C ATOM 0 H ILE A 64 -2.679 14.820 9.345 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.452 12.960 8.845 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.333 12.267 8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.901 11.740 10.858 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.250 12.835 10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.466 9.961 8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.564 10.913 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.856 10.605 8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.999 10.709 11.582 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.690 10.945 9.959 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.321 9.832 10.190 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.497 13.438 6.398 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.451 13.808 4.989 1.00 0.00 C ATOM 1055 C PHE A 65 -0.887 12.635 4.120 1.00 0.00 C ATOM 1056 O PHE A 65 -0.173 11.638 4.002 1.00 0.00 O ATOM 1057 CB PHE A 65 0.959 14.253 4.600 1.00 0.00 C ATOM 1058 CG PHE A 65 1.452 15.440 5.378 1.00 0.00 C ATOM 1059 CD1 PHE A 65 2.115 15.267 6.582 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.249 16.727 4.906 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.570 16.357 7.301 1.00 0.00 C ATOM 1062 CE2 PHE A 65 1.701 17.820 5.620 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.362 17.636 6.819 1.00 0.00 C ATOM 0 H PHE A 65 0.333 12.950 6.734 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.137 14.640 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.647 13.421 4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.974 14.494 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.278 14.270 6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.732 16.877 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.087 16.209 8.238 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.538 18.818 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.716 18.489 7.379 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.066 12.755 3.518 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.597 11.697 2.667 1.00 0.00 C ATOM 1075 C ILE A 66 -2.142 11.869 1.223 1.00 0.00 C ATOM 1076 O ILE A 66 -2.198 12.967 0.669 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.139 11.655 2.703 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.659 12.022 4.097 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.638 10.276 2.296 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -4.099 11.152 5.200 1.00 0.00 C ATOM 0 H ILE A 66 -2.670 13.572 3.604 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.208 10.758 3.061 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.520 12.389 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.412 13.063 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.746 11.946 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.727 10.260 2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.299 10.050 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.245 9.529 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.511 11.469 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.369 10.112 5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.013 11.247 5.222 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.695 10.774 0.617 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.232 10.798 -0.765 1.00 0.00 C ATOM 1094 C ARG A 67 -2.226 10.091 -1.681 1.00 0.00 C ATOM 1095 O ARG A 67 -2.356 10.435 -2.856 1.00 0.00 O ATOM 1096 CB ARG A 67 0.142 10.136 -0.877 1.00 0.00 C ATOM 1097 CG ARG A 67 1.007 10.714 -1.986 1.00 0.00 C ATOM 1098 CD ARG A 67 2.326 11.248 -1.449 1.00 0.00 C ATOM 1099 NE ARG A 67 3.431 10.322 -1.691 1.00 0.00 N ATOM 1100 CZ ARG A 67 4.659 10.492 -1.208 1.00 0.00 C ATOM 1101 NH1 ARG A 67 4.945 11.548 -0.457 1.00 0.00 N ATOM 1102 NH2 ARG A 67 5.605 9.602 -1.476 1.00 0.00 N ATOM 0 H ARG A 67 -1.644 9.858 1.062 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.151 11.839 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.666 10.242 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.009 9.068 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.203 9.945 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.467 11.516 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.547 12.207 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.234 11.431 -0.378 1.00 0.00 H new ATOM 0 HE ARG A 67 3.250 9.497 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.221 12.235 -0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.888 11.672 -0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.391 8.788 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.547 9.732 -1.106 1.00 0.00 H new ATOM 1116 N ILE A 68 -2.926 9.103 -1.134 1.00 0.00 N ATOM 1117 CA ILE A 68 -3.911 8.348 -1.899 1.00 0.00 C ATOM 1118 C ILE A 68 -5.167 9.178 -2.145 1.00 0.00 C ATOM 1119 O ILE A 68 -5.580 9.963 -1.292 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.299 7.040 -1.180 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -4.988 7.346 0.153 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.068 6.173 -0.959 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.400 6.108 0.918 1.00 0.00 C ATOM 0 H ILE A 68 -2.829 8.806 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.451 8.101 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.999 6.492 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.315 7.939 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.870 7.957 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.357 5.253 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.617 5.929 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.347 6.714 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.881 6.400 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.097 5.524 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.518 5.506 1.138 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.771 8.999 -3.315 1.00 0.00 N ATOM 1136 CA PHE A 69 -6.980 9.733 -3.668 1.00 0.00 C ATOM 1137 C PHE A 69 -7.912 8.871 -4.519 1.00 0.00 C ATOM 1138 O PHE A 69 -7.460 8.134 -5.394 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.621 11.017 -4.420 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.263 12.248 -3.848 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -7.104 12.570 -2.510 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.026 13.083 -4.649 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -7.695 13.702 -1.981 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -8.618 14.216 -4.126 1.00 0.00 C ATOM 1145 CZ PHE A 69 -8.453 14.527 -2.790 1.00 0.00 C ATOM 0 H PHE A 69 -5.444 8.353 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.499 9.995 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.538 11.144 -4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.920 10.913 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.512 11.930 -1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.159 12.845 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.564 13.942 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.210 14.859 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.915 15.412 -2.379 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.232 8.953 -4.273 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.223 8.179 -5.018 1.00 0.00 C ATOM 1157 C PRO A 70 -10.578 8.824 -6.354 1.00 0.00 C ATOM 1158 O PRO A 70 -11.208 9.880 -6.395 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.427 8.188 -4.082 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.334 9.491 -3.367 1.00 0.00 C ATOM 1161 CD PRO A 70 -9.863 9.807 -3.245 1.00 0.00 C ATOM 0 HA PRO A 70 -9.865 7.182 -5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.362 8.106 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.395 7.350 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.855 10.274 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.801 9.429 -2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.665 10.863 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.486 9.578 -2.248 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.457 4.884 -5.521 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.372 4.239 -4.787 1.00 0.00 C ATOM 1541 C VAL A 94 -10.012 4.627 -5.358 1.00 0.00 C ATOM 1542 O VAL A 94 -9.925 5.281 -6.398 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.501 2.705 -4.818 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.564 2.234 -3.838 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.811 2.220 -6.226 1.00 0.00 C ATOM 0 HA VAL A 94 -11.447 4.584 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.546 2.276 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.638 1.147 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.291 2.544 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.525 2.673 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.898 1.133 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.750 2.659 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.008 2.519 -6.899 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.952 4.213 -4.671 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.593 4.507 -5.105 1.00 0.00 C ATOM 1557 C ALA A 95 -6.749 3.237 -5.138 1.00 0.00 C ATOM 1558 O ALA A 95 -6.306 2.749 -4.098 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.958 5.544 -4.192 1.00 0.00 C ATOM 0 H ALA A 95 -9.010 3.671 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.637 4.913 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.943 5.753 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.546 6.462 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.930 5.162 -3.172 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.535 2.702 -6.336 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.750 1.484 -6.498 1.00 0.00 C ATOM 1567 C VAL A 96 -4.335 1.661 -5.956 1.00 0.00 C ATOM 1568 O VAL A 96 -3.670 2.657 -6.243 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.670 1.047 -7.974 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.173 -0.387 -8.076 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -7.024 1.197 -8.653 1.00 0.00 C ATOM 0 H VAL A 96 -6.894 3.092 -7.207 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.262 0.709 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.960 1.695 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.122 -0.681 -9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.181 -0.461 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.859 -1.048 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.946 0.883 -9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.759 0.576 -8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.339 2.240 -8.611 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.884 0.690 -5.168 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.551 0.736 -4.580 1.00 0.00 C ATOM 1583 C VAL A 97 -1.765 -0.535 -4.886 1.00 0.00 C ATOM 1584 O VAL A 97 -2.340 -1.560 -5.251 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.617 0.922 -3.053 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.240 1.230 -2.492 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.606 2.020 -2.687 1.00 0.00 C ATOM 0 H VAL A 97 -4.424 -0.140 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.043 1.591 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.965 -0.011 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.308 1.358 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.562 0.407 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.860 2.147 -2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.637 2.135 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.292 2.959 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.598 1.753 -3.052 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.446 -0.461 -4.728 1.00 0.00 N ATOM 1598 CA LYS A 98 0.425 -1.604 -4.975 1.00 0.00 C ATOM 1599 C LYS A 98 1.378 -1.810 -3.797 1.00 0.00 C ATOM 1600 O LYS A 98 1.604 -0.892 -3.008 1.00 0.00 O ATOM 1601 CB LYS A 98 1.221 -1.399 -6.267 1.00 0.00 C ATOM 1602 CG LYS A 98 0.918 -2.436 -7.338 1.00 0.00 C ATOM 1603 CD LYS A 98 -0.494 -2.284 -7.878 1.00 0.00 C ATOM 1604 CE LYS A 98 -0.886 -3.462 -8.754 1.00 0.00 C ATOM 1605 NZ LYS A 98 -1.109 -4.699 -7.956 1.00 0.00 N ATOM 0 H LYS A 98 0.043 0.382 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.195 -2.494 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.006 -0.406 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.286 -1.427 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.633 -2.337 -8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.044 -3.436 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.195 -2.198 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.567 -1.361 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.794 -3.218 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.104 -3.642 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.747 -5.521 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.609 -4.621 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.127 -4.821 -7.782 1.00 0.00 H new ATOM 1619 N PRO A 99 1.952 -3.018 -3.657 1.00 0.00 N ATOM 1620 CA PRO A 99 2.880 -3.323 -2.562 1.00 0.00 C ATOM 1621 C PRO A 99 4.038 -2.335 -2.503 1.00 0.00 C ATOM 1622 O PRO A 99 4.855 -2.263 -3.421 1.00 0.00 O ATOM 1623 CB PRO A 99 3.388 -4.727 -2.894 1.00 0.00 C ATOM 1624 CG PRO A 99 2.337 -5.318 -3.769 1.00 0.00 C ATOM 1625 CD PRO A 99 1.746 -4.174 -4.546 1.00 0.00 C ATOM 0 HA PRO A 99 2.395 -3.258 -1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.351 -4.689 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.529 -5.320 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.763 -6.065 -4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.574 -5.821 -3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.246 -4.038 -5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.689 -4.335 -4.758 1.00 0.00 H new ATOM 1633 N GLY A 100 4.098 -1.574 -1.417 1.00 0.00 N ATOM 1634 CA GLY A 100 5.155 -0.596 -1.257 1.00 0.00 C ATOM 1635 C GLY A 100 4.669 0.820 -1.503 1.00 0.00 C ATOM 1636 O GLY A 100 5.446 1.688 -1.901 1.00 0.00 O ATOM 0 H GLY A 100 3.433 -1.617 -0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.564 -0.668 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.967 -0.825 -1.948 1.00 0.00 H new ATOM 1640 N ARG A 101 3.379 1.052 -1.273 1.00 0.00 N ATOM 1641 CA ARG A 101 2.792 2.373 -1.480 1.00 0.00 C ATOM 1642 C ARG A 101 2.393 3.017 -0.156 1.00 0.00 C ATOM 1643 O ARG A 101 1.632 2.441 0.621 1.00 0.00 O ATOM 1644 CB ARG A 101 1.567 2.272 -2.391 1.00 0.00 C ATOM 1645 CG ARG A 101 1.813 2.777 -3.802 1.00 0.00 C ATOM 1646 CD ARG A 101 2.611 1.775 -4.618 1.00 0.00 C ATOM 1647 NE ARG A 101 2.196 1.752 -6.017 1.00 0.00 N ATOM 1648 CZ ARG A 101 2.932 1.241 -7.002 1.00 0.00 C ATOM 1649 NH1 ARG A 101 4.121 0.711 -6.743 1.00 0.00 N ATOM 1650 NH2 ARG A 101 2.480 1.261 -8.248 1.00 0.00 N ATOM 0 H ARG A 101 2.722 0.345 -0.944 1.00 0.00 H new ATOM 0 HA ARG A 101 3.547 3.000 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.245 1.232 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.748 2.840 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.859 2.970 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.349 3.725 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.671 2.022 -4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.491 0.781 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 101 1.288 2.151 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.474 0.694 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.681 0.321 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.568 1.668 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.045 0.869 -9.002 1.00 0.00 H new ATOM 1664 N VAL A 102 2.904 4.219 0.090 1.00 0.00 N ATOM 1665 CA VAL A 102 2.593 4.945 1.315 1.00 0.00 C ATOM 1666 C VAL A 102 1.215 5.589 1.229 1.00 0.00 C ATOM 1667 O VAL A 102 1.028 6.588 0.535 1.00 0.00 O ATOM 1668 CB VAL A 102 3.639 6.037 1.610 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.460 6.577 3.021 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.048 5.500 1.414 1.00 0.00 C ATOM 0 H VAL A 102 3.535 4.710 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 102 2.607 4.217 2.126 1.00 0.00 H new ATOM 0 HB VAL A 102 3.488 6.856 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.207 7.347 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.463 7.005 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.582 5.766 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.771 6.288 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.215 4.661 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.170 5.166 0.384 1.00 0.00 H new ATOM 1680 N MET A 103 0.251 5.007 1.933 1.00 0.00 N ATOM 1681 CA MET A 103 -1.113 5.522 1.931 1.00 0.00 C ATOM 1682 C MET A 103 -1.302 6.610 2.986 1.00 0.00 C ATOM 1683 O MET A 103 -2.283 7.354 2.948 1.00 0.00 O ATOM 1684 CB MET A 103 -2.106 4.384 2.176 1.00 0.00 C ATOM 1685 CG MET A 103 -2.141 3.357 1.057 1.00 0.00 C ATOM 1686 SD MET A 103 -3.171 1.931 1.455 1.00 0.00 S ATOM 1687 CE MET A 103 -2.384 1.353 2.956 1.00 0.00 C ATOM 0 H MET A 103 0.389 4.179 2.512 1.00 0.00 H new ATOM 0 HA MET A 103 -1.300 5.964 0.952 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.849 3.883 3.110 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.104 4.804 2.304 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.515 3.828 0.148 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.126 3.020 0.847 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.612 0.297 3.103 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.305 1.483 2.874 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.755 1.926 3.805 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.369 6.700 3.931 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.459 7.700 4.990 1.00 0.00 C ATOM 1699 C PHE A 104 0.924 8.126 5.475 1.00 0.00 C ATOM 1700 O PHE A 104 1.897 7.386 5.337 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.272 7.151 6.160 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.742 7.050 5.873 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.249 5.974 5.162 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.615 8.031 6.312 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.601 5.878 4.894 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.968 7.942 6.048 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.463 6.863 5.339 1.00 0.00 C ATOM 0 H PHE A 104 0.452 6.097 3.985 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.958 8.578 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.893 6.164 6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.123 7.792 7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.580 5.202 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.234 8.875 6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.984 5.035 4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.638 8.714 6.395 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.521 6.790 5.133 1.00 0.00 H new ATOM 1717 N GLU A 105 0.996 9.325 6.047 1.00 0.00 N ATOM 1718 CA GLU A 105 2.252 9.862 6.562 1.00 0.00 C ATOM 1719 C GLU A 105 1.990 10.864 7.684 1.00 0.00 C ATOM 1720 O GLU A 105 1.300 11.862 7.485 1.00 0.00 O ATOM 1721 CB GLU A 105 3.039 10.544 5.440 1.00 0.00 C ATOM 1722 CG GLU A 105 3.701 9.574 4.476 1.00 0.00 C ATOM 1723 CD GLU A 105 3.001 9.518 3.133 1.00 0.00 C ATOM 1724 OE1 GLU A 105 1.792 9.206 3.106 1.00 0.00 O ATOM 1725 OE2 GLU A 105 3.662 9.788 2.107 1.00 0.00 O ATOM 0 H GLU A 105 0.195 9.946 6.166 1.00 0.00 H new ATOM 0 HA GLU A 105 2.837 9.032 6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.366 11.195 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.805 11.181 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.740 9.867 4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.711 8.578 4.918 1.00 0.00 H new ATOM 1732 N VAL A 106 2.548 10.597 8.862 1.00 0.00 N ATOM 1733 CA VAL A 106 2.369 11.488 10.003 1.00 0.00 C ATOM 1734 C VAL A 106 3.651 12.254 10.311 1.00 0.00 C ATOM 1735 O VAL A 106 4.737 11.864 9.883 1.00 0.00 O ATOM 1736 CB VAL A 106 1.929 10.723 11.266 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.555 10.102 11.063 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.957 9.663 11.638 1.00 0.00 C ATOM 0 H VAL A 106 3.124 9.776 9.050 1.00 0.00 H new ATOM 0 HA VAL A 106 1.583 12.190 9.725 1.00 0.00 H new ATOM 0 HB VAL A 106 1.862 11.431 12.092 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.261 9.566 11.965 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.172 10.887 10.854 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.590 9.408 10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.627 9.134 12.532 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.063 8.955 10.816 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.918 10.140 11.832 1.00 0.00 H new ATOM 1748 N ALA A 107 3.514 13.346 11.056 1.00 0.00 N ATOM 1749 CA ALA A 107 4.661 14.168 11.423 1.00 0.00 C ATOM 1750 C ALA A 107 4.385 14.952 12.702 1.00 0.00 C ATOM 1751 O ALA A 107 3.284 15.462 12.903 1.00 0.00 O ATOM 1752 CB ALA A 107 5.015 15.115 10.287 1.00 0.00 C ATOM 0 H ALA A 107 2.621 13.682 11.417 1.00 0.00 H new ATOM 0 HA ALA A 107 5.508 13.507 11.608 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.873 15.723 10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.261 14.538 9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.165 15.764 10.076 1.00 0.00 H new ATOM 1758 N GLY A 108 5.392 15.042 13.564 1.00 0.00 N ATOM 1759 CA GLY A 108 5.237 15.764 14.812 1.00 0.00 C ATOM 1760 C GLY A 108 4.987 14.843 15.989 1.00 0.00 C ATOM 1761 O GLY A 108 5.531 15.050 17.074 1.00 0.00 O ATOM 0 H GLY A 108 6.313 14.628 13.420 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.134 16.354 15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.408 16.466 14.721 1.00 0.00 H new ATOM 1765 N VAL A 109 4.162 13.823 15.777 1.00 0.00 N ATOM 1766 CA VAL A 109 3.841 12.868 16.831 1.00 0.00 C ATOM 1767 C VAL A 109 4.995 11.899 17.065 1.00 0.00 C ATOM 1768 O VAL A 109 5.908 11.796 16.245 1.00 0.00 O ATOM 1769 CB VAL A 109 2.568 12.066 16.499 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.361 12.989 16.410 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.747 11.284 15.205 1.00 0.00 C ATOM 0 H VAL A 109 3.704 13.637 14.885 1.00 0.00 H new ATOM 0 HA VAL A 109 3.667 13.447 17.738 1.00 0.00 H new ATOM 0 HB VAL A 109 2.393 11.353 17.305 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.472 12.404 16.175 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.220 13.496 17.364 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.526 13.729 15.627 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.837 10.725 14.989 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.951 11.975 14.387 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.582 10.591 15.311 1.00 0.00 H new ATOM 1781 N THR A 110 4.950 11.191 18.189 1.00 0.00 N ATOM 1782 CA THR A 110 5.995 10.233 18.531 1.00 0.00 C ATOM 1783 C THR A 110 5.823 8.934 17.749 1.00 0.00 C ATOM 1784 O THR A 110 4.934 8.816 16.905 1.00 0.00 O ATOM 1785 CB THR A 110 5.980 9.942 20.032 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.787 9.274 20.402 1.00 0.00 O ATOM 1787 CG2 THR A 110 6.089 11.188 20.884 1.00 0.00 C ATOM 0 H THR A 110 4.201 11.263 18.878 1.00 0.00 H new ATOM 0 HA THR A 110 6.955 10.673 18.262 1.00 0.00 H new ATOM 0 HB THR A 110 6.855 9.318 20.213 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.477 9.613 21.268 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.072 10.911 21.938 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.023 11.702 20.659 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.250 11.850 20.670 1.00 0.00 H new ATOM 1795 N GLU A 111 6.683 7.960 18.035 1.00 0.00 N ATOM 1796 CA GLU A 111 6.633 6.668 17.361 1.00 0.00 C ATOM 1797 C GLU A 111 5.448 5.840 17.850 1.00 0.00 C ATOM 1798 O GLU A 111 4.787 5.161 17.064 1.00 0.00 O ATOM 1799 CB GLU A 111 7.937 5.900 17.590 1.00 0.00 C ATOM 1800 CG GLU A 111 7.969 4.539 16.915 1.00 0.00 C ATOM 1801 CD GLU A 111 9.348 3.908 16.939 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.136 4.170 16.007 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.638 3.152 17.889 1.00 0.00 O ATOM 0 H GLU A 111 7.424 8.043 18.731 1.00 0.00 H new ATOM 0 HA GLU A 111 6.507 6.849 16.294 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.770 6.498 17.222 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.088 5.768 18.661 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.261 3.875 17.411 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.639 4.642 15.881 1.00 0.00 H new ATOM 1810 N GLU A 112 5.189 5.896 19.152 1.00 0.00 N ATOM 1811 CA GLU A 112 4.087 5.147 19.744 1.00 0.00 C ATOM 1812 C GLU A 112 2.746 5.601 19.175 1.00 0.00 C ATOM 1813 O GLU A 112 1.904 4.779 18.812 1.00 0.00 O ATOM 1814 CB GLU A 112 4.092 5.313 21.265 1.00 0.00 C ATOM 1815 CG GLU A 112 3.596 4.088 22.013 1.00 0.00 C ATOM 1816 CD GLU A 112 4.582 2.936 21.965 1.00 0.00 C ATOM 1817 OE1 GLU A 112 5.791 3.182 22.153 1.00 0.00 O ATOM 1818 OE2 GLU A 112 4.143 1.789 21.738 1.00 0.00 O ATOM 0 H GLU A 112 5.727 6.452 19.817 1.00 0.00 H new ATOM 0 HA GLU A 112 4.224 4.094 19.498 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.106 5.543 21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.469 6.167 21.531 1.00 0.00 H new ATOM 0 HG2 GLU A 112 3.405 4.354 23.052 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.646 3.766 21.586 1.00 0.00 H new ATOM 1825 N GLN A 113 2.553 6.913 19.100 1.00 0.00 N ATOM 1826 CA GLN A 113 1.314 7.476 18.575 1.00 0.00 C ATOM 1827 C GLN A 113 1.261 7.358 17.057 1.00 0.00 C ATOM 1828 O GLN A 113 0.214 7.062 16.481 1.00 0.00 O ATOM 1829 CB GLN A 113 1.179 8.941 18.990 1.00 0.00 C ATOM 1830 CG GLN A 113 1.493 9.190 20.456 1.00 0.00 C ATOM 1831 CD GLN A 113 0.954 10.518 20.950 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -0.021 10.563 21.701 1.00 0.00 O ATOM 1833 NE2 GLN A 113 1.586 11.607 20.531 1.00 0.00 N ATOM 0 H GLN A 113 3.239 7.607 19.396 1.00 0.00 H new ATOM 0 HA GLN A 113 0.482 6.909 18.993 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.846 9.547 18.376 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.163 9.276 18.783 1.00 0.00 H new ATOM 0 HG2 GLN A 113 1.070 8.384 21.056 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.573 9.163 20.602 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.390 11.523 19.909 1.00 0.00 H new ATOM 0 HE22 GLN A 113 1.268 12.529 20.831 1.00 0.00 H new ATOM 1842 N ALA A 114 2.398 7.599 16.413 1.00 0.00 N ATOM 1843 CA ALA A 114 2.485 7.528 14.960 1.00 0.00 C ATOM 1844 C ALA A 114 2.302 6.100 14.460 1.00 0.00 C ATOM 1845 O ALA A 114 1.527 5.851 13.536 1.00 0.00 O ATOM 1846 CB ALA A 114 3.820 8.085 14.494 1.00 0.00 C ATOM 0 H ALA A 114 3.273 7.846 16.876 1.00 0.00 H new ATOM 0 HA ALA A 114 1.679 8.130 14.542 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.878 8.029 13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.910 9.125 14.809 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.630 7.502 14.931 1.00 0.00 H new ATOM 1852 N MET A 115 3.017 5.163 15.073 1.00 0.00 N ATOM 1853 CA MET A 115 2.930 3.760 14.685 1.00 0.00 C ATOM 1854 C MET A 115 1.519 3.227 14.903 1.00 0.00 C ATOM 1855 O MET A 115 0.960 2.553 14.039 1.00 0.00 O ATOM 1856 CB MET A 115 3.933 2.924 15.481 1.00 0.00 C ATOM 1857 CG MET A 115 5.382 3.205 15.118 1.00 0.00 C ATOM 1858 SD MET A 115 6.203 1.786 14.366 1.00 0.00 S ATOM 1859 CE MET A 115 7.429 2.603 13.348 1.00 0.00 C ATOM 0 H MET A 115 3.663 5.349 15.840 1.00 0.00 H new ATOM 0 HA MET A 115 3.170 3.685 13.624 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.790 3.115 16.544 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.724 1.867 15.316 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.422 4.049 14.429 1.00 0.00 H new ATOM 0 HG3 MET A 115 5.926 3.500 16.015 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.783 1.914 12.581 1.00 0.00 H new ATOM 0 HE2 MET A 115 6.984 3.477 12.873 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.268 2.916 13.969 1.00 0.00 H new ATOM 1869 N GLU A 116 0.947 3.538 16.060 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.402 3.093 16.386 1.00 0.00 C ATOM 1871 C GLU A 116 -1.415 3.700 15.424 1.00 0.00 C ATOM 1872 O GLU A 116 -2.261 2.997 14.872 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.755 3.469 17.825 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.759 2.528 18.471 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.440 2.245 19.926 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.246 2.283 20.291 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.385 1.987 20.701 1.00 0.00 O ATOM 0 H GLU A 116 1.395 4.096 16.787 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.436 2.008 16.288 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.156 3.480 18.423 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.158 4.482 17.839 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.756 2.962 18.399 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.779 1.589 17.918 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.323 5.012 15.223 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.232 5.710 14.323 1.00 0.00 C ATOM 1886 C ALA A 117 -2.113 5.165 12.904 1.00 0.00 C ATOM 1887 O ALA A 117 -3.116 4.845 12.265 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.951 7.204 14.344 1.00 0.00 C ATOM 0 H ALA A 117 -0.629 5.611 15.671 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.252 5.542 14.667 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.637 7.713 13.667 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.089 7.586 15.356 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.925 7.386 14.024 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.882 5.050 12.418 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.639 4.532 11.079 1.00 0.00 C ATOM 1896 C LEU A 118 -1.181 3.113 10.952 1.00 0.00 C ATOM 1897 O LEU A 118 -1.617 2.695 9.879 1.00 0.00 O ATOM 1898 CB LEU A 118 0.862 4.553 10.763 1.00 0.00 C ATOM 1899 CG LEU A 118 1.391 5.832 10.099 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.510 7.030 10.418 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.824 6.100 10.536 1.00 0.00 C ATOM 0 H LEU A 118 -0.039 5.308 12.931 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.157 5.170 10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.411 4.395 11.691 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.088 3.709 10.112 1.00 0.00 H new ATOM 0 HG LEU A 118 1.370 5.680 9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.914 7.918 9.932 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.501 6.845 10.055 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.485 7.186 11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.186 7.010 10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.858 6.221 11.619 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.456 5.261 10.245 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.154 2.378 12.060 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.647 1.007 12.084 1.00 0.00 C ATOM 1915 C ARG A 119 -3.172 0.980 12.057 1.00 0.00 C ATOM 1916 O ARG A 119 -3.776 0.182 11.339 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.131 0.280 13.328 1.00 0.00 C ATOM 1918 CG ARG A 119 0.105 -0.566 13.071 1.00 0.00 C ATOM 1919 CD ARG A 119 0.970 -0.687 14.317 1.00 0.00 C ATOM 1920 NE ARG A 119 1.306 -2.076 14.618 1.00 0.00 N ATOM 1921 CZ ARG A 119 2.241 -2.770 13.972 1.00 0.00 C ATOM 1922 NH1 ARG A 119 2.933 -2.208 12.989 1.00 0.00 N ATOM 1923 NH2 ARG A 119 2.485 -4.029 14.310 1.00 0.00 N ATOM 0 H ARG A 119 -0.795 2.711 12.955 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.277 0.496 11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.903 1.015 14.100 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.923 -0.359 13.720 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.196 -1.559 12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.688 -0.123 12.264 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.887 -0.114 14.179 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.446 -0.249 15.166 1.00 0.00 H new ATOM 0 HE ARG A 119 0.794 -2.542 15.367 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.750 -1.240 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.648 -2.744 12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 119 1.956 -4.466 15.065 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.201 -4.560 13.815 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.791 1.861 12.841 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.248 1.941 12.902 1.00 0.00 C ATOM 1939 C ILE A 120 -5.838 2.142 11.509 1.00 0.00 C ATOM 1940 O ILE A 120 -6.892 1.596 11.185 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.709 3.088 13.831 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.303 2.790 15.275 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.216 3.295 13.736 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.229 4.023 16.149 1.00 0.00 C ATOM 0 H ILE A 120 -3.307 2.528 13.442 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.609 0.997 13.310 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.221 4.008 13.508 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.018 2.090 15.708 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.332 2.295 15.276 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.514 4.107 14.399 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.485 3.547 12.710 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.728 2.379 14.031 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.936 3.736 17.159 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.493 4.715 15.740 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.205 4.507 16.179 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.147 2.926 10.687 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.600 3.191 9.328 1.00 0.00 C ATOM 1958 C ALA A 121 -5.595 1.912 8.500 1.00 0.00 C ATOM 1959 O ALA A 121 -6.531 1.643 7.747 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.725 4.250 8.675 1.00 0.00 C ATOM 0 H ALA A 121 -4.273 3.388 10.939 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.623 3.565 9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.076 4.437 7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.778 5.173 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.693 3.900 8.643 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.535 1.124 8.649 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.424 -0.122 7.914 1.00 0.00 C ATOM 1968 C GLY A 122 -5.307 -1.216 8.487 1.00 0.00 C ATOM 1969 O GLY A 122 -5.644 -2.175 7.794 1.00 0.00 O ATOM 0 H GLY A 122 -3.749 1.327 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.694 0.049 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.386 -0.455 7.924 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.681 -1.072 9.756 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.531 -2.056 10.418 1.00 0.00 C ATOM 1975 C HIS A 123 -7.843 -2.237 9.662 1.00 0.00 C ATOM 1976 O HIS A 123 -8.314 -3.359 9.476 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.809 -1.629 11.862 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.449 -2.673 12.873 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -7.378 -3.511 13.453 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -5.253 -3.013 13.409 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -6.770 -4.320 14.302 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -5.480 -4.039 14.293 1.00 0.00 N ATOM 0 H HIS A 123 -5.409 -0.285 10.345 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.005 -3.011 10.425 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.250 -0.718 12.077 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.867 -1.386 11.963 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -4.298 -2.561 13.183 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -7.247 -5.081 14.901 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.767 -4.508 14.852 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.429 -1.126 9.228 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.687 -1.163 8.490 1.00 0.00 C ATOM 1993 C LYS A 124 -9.446 -1.355 6.992 1.00 0.00 C ATOM 1994 O LYS A 124 -10.395 -1.423 6.210 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.480 0.123 8.729 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.688 1.388 8.446 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.212 2.048 9.731 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.123 3.193 10.139 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.674 3.835 11.405 1.00 0.00 N ATOM 0 H LYS A 124 -8.053 -0.189 9.374 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.263 -2.014 8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.370 0.113 8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.822 0.142 9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.829 1.148 7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.307 2.088 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.176 1.308 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.196 2.420 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.149 3.938 9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.141 2.822 10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.367 4.554 11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.592 3.114 12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.749 4.286 11.256 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.178 -1.442 6.597 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.828 -1.626 5.194 1.00 0.00 C ATOM 2015 C LEU A 125 -7.875 -3.104 4.814 1.00 0.00 C ATOM 2016 O LEU A 125 -7.683 -3.977 5.661 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.435 -1.060 4.912 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.368 0.462 4.767 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.931 0.920 4.568 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.239 0.925 3.611 1.00 0.00 C ATOM 0 H LEU A 125 -7.379 -1.388 7.228 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.558 -1.087 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.767 -1.362 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.054 -1.513 3.997 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.746 0.910 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.906 2.005 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.332 0.621 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.525 0.462 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.180 2.010 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.890 0.466 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.273 0.632 3.794 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.132 -3.404 3.530 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.207 -4.775 3.036 1.00 0.00 C ATOM 2034 C PRO A 126 -6.851 -5.312 2.582 1.00 0.00 C ATOM 2035 O PRO A 126 -6.782 -6.252 1.791 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.151 -4.637 1.847 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.868 -3.276 1.300 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.380 -2.428 2.454 1.00 0.00 C ATOM 0 HA PRO A 126 -8.538 -5.478 3.801 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.966 -5.411 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.192 -4.733 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.116 -3.326 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.765 -2.844 0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.474 -1.882 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.124 -1.688 2.749 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.777 -4.708 3.082 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.430 -5.127 2.720 1.00 0.00 C ATOM 2048 C ILE A 127 -3.460 -4.946 3.883 1.00 0.00 C ATOM 2049 O ILE A 127 -3.748 -4.226 4.839 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.902 -4.345 1.500 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.250 -2.859 1.615 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.469 -4.931 0.216 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.297 -2.081 2.494 1.00 0.00 C ATOM 0 H ILE A 127 -5.815 -3.928 3.738 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.492 -6.185 2.465 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.816 -4.436 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.255 -2.417 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.260 -2.761 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.089 -4.371 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.168 -5.975 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.557 -4.868 0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.605 -1.036 2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.309 -2.497 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.288 -2.148 2.086 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.311 -5.609 3.794 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.297 -5.527 4.838 1.00 0.00 C ATOM 2067 C LYS A 128 -0.493 -4.236 4.718 1.00 0.00 C ATOM 2068 O LYS A 128 -0.005 -3.895 3.642 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.361 -6.737 4.763 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.267 -7.513 6.066 1.00 0.00 C ATOM 2071 CD LYS A 128 0.228 -6.635 7.204 1.00 0.00 C ATOM 2072 CE LYS A 128 1.075 -7.425 8.189 1.00 0.00 C ATOM 2073 NZ LYS A 128 1.672 -6.549 9.234 1.00 0.00 N ATOM 0 H LYS A 128 -2.059 -6.209 3.009 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.803 -5.527 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.708 -7.406 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.635 -6.398 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.246 -7.921 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.408 -8.360 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.813 -5.809 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.624 -6.197 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.461 -8.190 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 128 1.870 -7.942 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 2.242 -7.125 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 2.278 -5.834 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 0.913 -6.075 9.764 1.00 0.00 H new ATOM 2087 N THR A 129 -0.357 -3.526 5.833 1.00 0.00 N ATOM 2088 CA THR A 129 0.391 -2.275 5.858 1.00 0.00 C ATOM 2089 C THR A 129 1.307 -2.222 7.076 1.00 0.00 C ATOM 2090 O THR A 129 0.969 -2.742 8.138 1.00 0.00 O ATOM 2091 CB THR A 129 -0.564 -1.082 5.874 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.272 -1.023 7.100 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.586 -1.112 4.758 1.00 0.00 C ATOM 0 H THR A 129 -0.756 -3.796 6.732 1.00 0.00 H new ATOM 0 HA THR A 129 1.002 -2.226 4.957 1.00 0.00 H new ATOM 0 HB THR A 129 0.071 -0.206 5.738 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.900 -1.773 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.230 -0.236 4.831 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.074 -1.107 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.191 -2.015 4.843 1.00 0.00 H new ATOM 2101 N LYS A 130 2.469 -1.595 6.917 1.00 0.00 N ATOM 2102 CA LYS A 130 3.425 -1.486 8.015 1.00 0.00 C ATOM 2103 C LYS A 130 3.917 -0.051 8.180 1.00 0.00 C ATOM 2104 O LYS A 130 3.920 0.728 7.226 1.00 0.00 O ATOM 2105 CB LYS A 130 4.614 -2.419 7.778 1.00 0.00 C ATOM 2106 CG LYS A 130 5.271 -2.232 6.421 1.00 0.00 C ATOM 2107 CD LYS A 130 6.769 -2.478 6.489 1.00 0.00 C ATOM 2108 CE LYS A 130 7.468 -2.000 5.227 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.946 -2.153 5.319 1.00 0.00 N ATOM 0 H LYS A 130 2.770 -1.158 6.046 1.00 0.00 H new ATOM 0 HA LYS A 130 2.914 -1.780 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.357 -2.253 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.279 -3.452 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.821 -2.915 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.083 -1.220 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.185 -1.962 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.958 -3.542 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.097 -2.564 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.222 -0.953 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.385 -1.816 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.304 -1.595 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.183 -3.155 5.462 1.00 0.00 H new ATOM 2123 N ILE A 131 4.341 0.291 9.394 1.00 0.00 N ATOM 2124 CA ILE A 131 4.845 1.631 9.679 1.00 0.00 C ATOM 2125 C ILE A 131 6.322 1.731 9.323 1.00 0.00 C ATOM 2126 O ILE A 131 7.101 0.825 9.618 1.00 0.00 O ATOM 2127 CB ILE A 131 4.684 2.016 11.166 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.430 1.376 11.772 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.646 3.532 11.319 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.153 1.732 11.048 1.00 0.00 C ATOM 0 H ILE A 131 4.346 -0.341 10.195 1.00 0.00 H new ATOM 0 HA ILE A 131 4.253 2.316 9.072 1.00 0.00 H new ATOM 0 HB ILE A 131 5.547 1.633 11.711 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.549 0.292 11.768 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.344 1.684 12.814 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.532 3.789 12.372 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.574 3.959 10.940 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.804 3.934 10.755 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.310 1.242 11.535 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.009 2.812 11.074 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.217 1.399 10.012 1.00 0.00 H new ATOM 2142 N VAL A 132 6.709 2.834 8.694 1.00 0.00 N ATOM 2143 CA VAL A 132 8.100 3.031 8.314 1.00 0.00 C ATOM 2144 C VAL A 132 8.481 4.506 8.303 1.00 0.00 C ATOM 2145 O VAL A 132 7.816 5.330 7.676 1.00 0.00 O ATOM 2146 CB VAL A 132 8.397 2.439 6.922 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.857 1.024 6.810 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.819 3.327 5.830 1.00 0.00 C ATOM 0 H VAL A 132 6.085 3.599 8.439 1.00 0.00 H new ATOM 0 HA VAL A 132 8.694 2.511 9.066 1.00 0.00 H new ATOM 0 HB VAL A 132 9.478 2.397 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 132 8.079 0.627 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.326 0.395 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.778 1.033 6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 132 8.038 2.893 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.739 3.405 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.265 4.320 5.894 1.00 0.00 H new ATOM 2158 N ARG A 133 9.575 4.823 8.979 1.00 0.00 N ATOM 2159 CA ARG A 133 10.075 6.187 9.024 1.00 0.00 C ATOM 2160 C ARG A 133 10.585 6.589 7.643 1.00 0.00 C ATOM 2161 O ARG A 133 10.754 5.738 6.771 1.00 0.00 O ATOM 2162 CB ARG A 133 11.183 6.320 10.070 1.00 0.00 C ATOM 2163 CG ARG A 133 11.029 7.540 10.964 1.00 0.00 C ATOM 2164 CD ARG A 133 11.623 7.300 12.343 1.00 0.00 C ATOM 2165 NE ARG A 133 11.521 8.479 13.197 1.00 0.00 N ATOM 2166 CZ ARG A 133 11.759 8.470 14.506 1.00 0.00 C ATOM 2167 NH1 ARG A 133 12.113 7.346 15.115 1.00 0.00 N ATOM 2168 NH2 ARG A 133 11.643 9.589 15.209 1.00 0.00 N ATOM 0 H ARG A 133 10.134 4.151 9.505 1.00 0.00 H new ATOM 0 HA ARG A 133 9.263 6.855 9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.196 5.424 10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.147 6.370 9.563 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.519 8.396 10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.973 7.790 11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.110 6.464 12.818 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.670 7.016 12.242 1.00 0.00 H new ATOM 0 HE ARG A 133 11.251 9.363 12.765 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.204 6.483 14.580 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.294 7.345 16.119 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.371 10.456 14.746 1.00 0.00 H new ATOM 0 HH22 ARG A 133 11.825 9.582 16.213 1.00 0.00 H new