USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=10 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 150:sc= -0.319 USER MOD Set 1.2: A 115 MET CE :methyl -172:sc= -0.205 (180deg=-0.287) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.869 USER MOD Single : A 45 GLN : amide:sc= -0.309 K(o=-0.31,f=-0.88) USER MOD Single : A 46 GLN : amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 54 MET CE :methyl -117:sc= -8.73! (180deg=-11.8!) USER MOD Single : A 57 HIS : no HE2:sc= -2.15 K(o=-2.1,f=-5.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= -0.0349 (180deg=-0.556) USER MOD Single : A 103 MET CE :methyl 178:sc= -4.71! (180deg=-4.84!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 113 GLN : amide:sc= 0.99 K(o=0.99,f=-6.1!) USER MOD Single : A 123 HIS : no HD1:sc= -0.801 K(o=-0.8,f=-1.8!) USER MOD Single : A 124 LYS NZ :NH3+ -116:sc=-0.00303 (180deg=-0.506) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -50:sc= -0.877 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.175 12.471 9.057 1.00 0.00 N ATOM 508 CA ASP A 31 8.297 11.686 9.559 1.00 0.00 C ATOM 509 C ASP A 31 8.078 10.200 9.302 1.00 0.00 C ATOM 510 O ASP A 31 9.011 9.471 8.967 1.00 0.00 O ATOM 511 CB ASP A 31 8.488 11.933 11.057 1.00 0.00 C ATOM 512 CG ASP A 31 9.310 13.175 11.339 1.00 0.00 C ATOM 513 OD1 ASP A 31 10.504 13.193 10.972 1.00 0.00 O ATOM 514 OD2 ASP A 31 8.761 14.130 11.928 1.00 0.00 O ATOM 0 HA ASP A 31 9.195 12.000 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.512 12.031 11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.977 11.068 11.505 1.00 0.00 H new ATOM 519 N TYR A 32 6.836 9.758 9.462 1.00 0.00 N ATOM 520 CA TYR A 32 6.484 8.360 9.249 1.00 0.00 C ATOM 521 C TYR A 32 5.604 8.202 8.017 1.00 0.00 C ATOM 522 O TYR A 32 5.144 9.188 7.440 1.00 0.00 O ATOM 523 CB TYR A 32 5.757 7.802 10.470 1.00 0.00 C ATOM 524 CG TYR A 32 6.675 7.400 11.601 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.736 6.527 11.390 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.471 7.889 12.883 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.568 6.154 12.428 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.298 7.520 13.927 1.00 0.00 C ATOM 529 CZ TYR A 32 8.344 6.653 13.695 1.00 0.00 C ATOM 530 OH TYR A 32 9.170 6.283 14.731 1.00 0.00 O ATOM 0 H TYR A 32 6.054 10.350 9.740 1.00 0.00 H new ATOM 0 HA TYR A 32 7.408 7.803 9.094 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.054 8.551 10.835 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.170 6.935 10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.913 6.134 10.400 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.653 8.569 13.068 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.389 5.476 12.249 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.125 7.909 14.920 1.00 0.00 H new ATOM 0 HH TYR A 32 9.219 7.010 15.386 1.00 0.00 H new ATOM 540 N GLY A 33 5.369 6.958 7.621 1.00 0.00 N ATOM 541 CA GLY A 33 4.540 6.695 6.462 1.00 0.00 C ATOM 542 C GLY A 33 3.947 5.300 6.475 1.00 0.00 C ATOM 543 O GLY A 33 4.648 4.322 6.729 1.00 0.00 O ATOM 0 H GLY A 33 5.738 6.126 8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.734 7.428 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.134 6.825 5.558 1.00 0.00 H new ATOM 547 N LEU A 34 2.652 5.208 6.193 1.00 0.00 N ATOM 548 CA LEU A 34 1.967 3.922 6.165 1.00 0.00 C ATOM 549 C LEU A 34 2.006 3.339 4.759 1.00 0.00 C ATOM 550 O LEU A 34 1.462 3.921 3.821 1.00 0.00 O ATOM 551 CB LEU A 34 0.517 4.078 6.632 1.00 0.00 C ATOM 552 CG LEU A 34 -0.196 2.780 7.026 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.714 2.063 5.790 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.728 1.869 7.827 1.00 0.00 C ATOM 0 H LEU A 34 2.056 6.008 5.981 1.00 0.00 H new ATOM 0 HA LEU A 34 2.479 3.240 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.500 4.754 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.053 4.557 5.836 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.045 3.038 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.218 1.143 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.417 2.708 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.121 1.823 5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.197 0.955 8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.602 1.618 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.047 2.381 8.735 1.00 0.00 H new ATOM 566 N VAL A 35 2.667 2.197 4.614 1.00 0.00 N ATOM 567 CA VAL A 35 2.789 1.555 3.314 1.00 0.00 C ATOM 568 C VAL A 35 1.869 0.349 3.183 1.00 0.00 C ATOM 569 O VAL A 35 1.646 -0.389 4.142 1.00 0.00 O ATOM 570 CB VAL A 35 4.235 1.093 3.047 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.726 0.207 4.181 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.327 0.358 1.717 1.00 0.00 C ATOM 0 H VAL A 35 3.124 1.699 5.378 1.00 0.00 H new ATOM 0 HA VAL A 35 2.500 2.308 2.580 1.00 0.00 H new ATOM 0 HB VAL A 35 4.874 1.975 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.749 -0.111 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.699 0.765 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.083 -0.669 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.356 0.040 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.676 -0.516 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.015 1.023 0.912 1.00 0.00 H new ATOM 582 N ALA A 36 1.366 0.146 1.973 1.00 0.00 N ATOM 583 CA ALA A 36 0.499 -0.982 1.682 1.00 0.00 C ATOM 584 C ALA A 36 1.321 -2.109 1.075 1.00 0.00 C ATOM 585 O ALA A 36 1.870 -1.961 -0.017 1.00 0.00 O ATOM 586 CB ALA A 36 -0.617 -0.564 0.737 1.00 0.00 C ATOM 0 H ALA A 36 1.547 0.754 1.174 1.00 0.00 H new ATOM 0 HA ALA A 36 0.043 -1.333 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.258 -1.421 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.208 0.227 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.187 -0.198 -0.195 1.00 0.00 H new ATOM 592 N LEU A 37 1.421 -3.221 1.794 1.00 0.00 N ATOM 593 CA LEU A 37 2.199 -4.368 1.332 1.00 0.00 C ATOM 594 C LEU A 37 1.379 -5.284 0.424 1.00 0.00 C ATOM 595 O LEU A 37 1.810 -6.393 0.103 1.00 0.00 O ATOM 596 CB LEU A 37 2.724 -5.163 2.529 1.00 0.00 C ATOM 597 CG LEU A 37 3.224 -4.317 3.700 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.284 -5.147 4.973 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.589 -3.724 3.380 1.00 0.00 C ATOM 0 H LEU A 37 0.973 -3.354 2.701 1.00 0.00 H new ATOM 0 HA LEU A 37 3.036 -3.983 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.930 -5.818 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.538 -5.804 2.191 1.00 0.00 H new ATOM 0 HG LEU A 37 2.522 -3.499 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.642 -4.527 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.289 -5.523 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.964 -5.986 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.932 -3.124 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.301 -4.528 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.513 -3.094 2.494 1.00 0.00 H new ATOM 611 N GLU A 38 0.202 -4.825 0.010 1.00 0.00 N ATOM 612 CA GLU A 38 -0.656 -5.618 -0.861 1.00 0.00 C ATOM 613 C GLU A 38 -1.559 -4.718 -1.702 1.00 0.00 C ATOM 614 O GLU A 38 -1.967 -3.644 -1.258 1.00 0.00 O ATOM 615 CB GLU A 38 -1.500 -6.588 -0.031 1.00 0.00 C ATOM 616 CG GLU A 38 -1.221 -8.051 -0.335 1.00 0.00 C ATOM 617 CD GLU A 38 -2.488 -8.863 -0.511 1.00 0.00 C ATOM 618 OE1 GLU A 38 -3.181 -9.109 0.499 1.00 0.00 O ATOM 619 OE2 GLU A 38 -2.790 -9.254 -1.658 1.00 0.00 O ATOM 0 H GLU A 38 -0.177 -3.912 0.263 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.021 -6.191 -1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.315 -6.404 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.555 -6.383 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.620 -8.121 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.629 -8.480 0.474 1.00 0.00 H new ATOM 626 N PRO A 39 -1.882 -5.146 -2.935 1.00 0.00 N ATOM 627 CA PRO A 39 -2.738 -4.372 -3.839 1.00 0.00 C ATOM 628 C PRO A 39 -4.194 -4.352 -3.387 1.00 0.00 C ATOM 629 O PRO A 39 -4.792 -5.401 -3.145 1.00 0.00 O ATOM 630 CB PRO A 39 -2.601 -5.110 -5.173 1.00 0.00 C ATOM 631 CG PRO A 39 -2.262 -6.509 -4.796 1.00 0.00 C ATOM 632 CD PRO A 39 -1.437 -6.414 -3.544 1.00 0.00 C ATOM 0 HA PRO A 39 -2.442 -3.324 -3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.527 -5.067 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.822 -4.667 -5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.164 -7.096 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.706 -7.004 -5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.614 -7.261 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.370 -6.400 -3.766 1.00 0.00 H new ATOM 640 N ALA A 40 -4.759 -3.153 -3.273 1.00 0.00 N ATOM 641 CA ALA A 40 -6.146 -3.005 -2.849 1.00 0.00 C ATOM 642 C ALA A 40 -6.724 -1.666 -3.296 1.00 0.00 C ATOM 643 O ALA A 40 -6.006 -0.802 -3.800 1.00 0.00 O ATOM 644 CB ALA A 40 -6.252 -3.148 -1.338 1.00 0.00 C ATOM 0 H ALA A 40 -4.279 -2.274 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.728 -3.795 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.293 -3.035 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.891 -4.132 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.648 -2.379 -0.856 1.00 0.00 H new ATOM 650 N TRP A 41 -8.030 -1.502 -3.102 1.00 0.00 N ATOM 651 CA TRP A 41 -8.716 -0.272 -3.478 1.00 0.00 C ATOM 652 C TRP A 41 -9.190 0.479 -2.239 1.00 0.00 C ATOM 653 O TRP A 41 -10.071 0.009 -1.519 1.00 0.00 O ATOM 654 CB TRP A 41 -9.910 -0.583 -4.382 1.00 0.00 C ATOM 655 CG TRP A 41 -9.535 -1.304 -5.640 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.501 -1.006 -6.478 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.195 -2.442 -6.204 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.475 -1.890 -7.528 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.505 -2.782 -7.383 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.301 -3.206 -5.825 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -9.886 -3.855 -8.185 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.679 -4.271 -6.622 1.00 0.00 C ATOM 663 CH2 TRP A 41 -10.973 -4.587 -7.790 1.00 0.00 C ATOM 0 H TRP A 41 -8.635 -2.209 -2.685 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.012 0.357 -4.022 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.628 -1.187 -3.827 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.411 0.349 -4.643 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.804 -0.193 -6.336 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.799 -1.884 -8.292 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.851 -2.969 -4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.343 -4.101 -9.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.533 -4.869 -6.339 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.293 -5.425 -8.391 1.00 0.00 H new ATOM 674 N ILE A 42 -8.602 1.645 -1.992 1.00 0.00 N ATOM 675 CA ILE A 42 -8.972 2.449 -0.834 1.00 0.00 C ATOM 676 C ILE A 42 -10.146 3.369 -1.154 1.00 0.00 C ATOM 677 O ILE A 42 -10.073 4.187 -2.071 1.00 0.00 O ATOM 678 CB ILE A 42 -7.793 3.302 -0.329 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.510 2.470 -0.281 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.107 3.882 1.044 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.564 1.334 0.717 1.00 0.00 C ATOM 0 H ILE A 42 -7.871 2.052 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.261 1.748 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.640 4.127 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.313 2.063 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.673 3.122 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.264 4.482 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.996 4.509 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.286 3.071 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.621 0.787 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.730 1.736 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.380 0.660 0.457 1.00 0.00 H new ATOM 693 N THR A 43 -11.225 3.228 -0.392 1.00 0.00 N ATOM 694 CA THR A 43 -12.415 4.044 -0.594 1.00 0.00 C ATOM 695 C THR A 43 -12.236 5.432 0.005 1.00 0.00 C ATOM 696 O THR A 43 -11.210 5.731 0.616 1.00 0.00 O ATOM 697 CB THR A 43 -13.629 3.368 0.041 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.244 2.595 1.164 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.365 2.457 -0.910 1.00 0.00 C ATOM 0 H THR A 43 -11.299 2.556 0.371 1.00 0.00 H new ATOM 0 HA THR A 43 -12.573 4.147 -1.668 1.00 0.00 H new ATOM 0 HB THR A 43 -14.294 4.181 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.036 2.172 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.216 2.008 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.718 3.033 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.693 1.671 -1.254 1.00 0.00 H new ATOM 707 N ALA A 44 -13.247 6.276 -0.170 1.00 0.00 N ATOM 708 CA ALA A 44 -13.207 7.631 0.358 1.00 0.00 C ATOM 709 C ALA A 44 -13.192 7.616 1.881 1.00 0.00 C ATOM 710 O ALA A 44 -12.421 8.339 2.511 1.00 0.00 O ATOM 711 CB ALA A 44 -14.394 8.433 -0.155 1.00 0.00 C ATOM 0 H ALA A 44 -14.103 6.044 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.289 8.107 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.351 9.445 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.362 8.475 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.321 7.955 0.163 1.00 0.00 H new ATOM 717 N GLN A 45 -14.053 6.789 2.470 1.00 0.00 N ATOM 718 CA GLN A 45 -14.153 6.673 3.895 1.00 0.00 C ATOM 719 C GLN A 45 -12.848 6.204 4.524 1.00 0.00 C ATOM 720 O GLN A 45 -12.447 6.699 5.567 1.00 0.00 O ATOM 721 CB GLN A 45 -15.264 5.689 4.194 1.00 0.00 C ATOM 722 CG GLN A 45 -16.423 6.312 4.924 1.00 0.00 C ATOM 723 CD GLN A 45 -16.553 5.830 6.354 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.482 6.619 7.297 1.00 0.00 O ATOM 725 NE2 GLN A 45 -16.742 4.526 6.526 1.00 0.00 N ATOM 0 H GLN A 45 -14.696 6.185 1.957 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.368 7.652 4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.621 5.258 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.864 4.869 4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.306 7.396 4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.345 6.090 4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.795 3.907 5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.834 4.144 7.467 1.00 0.00 H new ATOM 734 N GLN A 46 -12.190 5.246 3.894 1.00 0.00 N ATOM 735 CA GLN A 46 -10.942 4.719 4.421 1.00 0.00 C ATOM 736 C GLN A 46 -9.901 5.824 4.561 1.00 0.00 C ATOM 737 O GLN A 46 -9.090 5.810 5.487 1.00 0.00 O ATOM 738 CB GLN A 46 -10.429 3.598 3.521 1.00 0.00 C ATOM 739 CG GLN A 46 -11.204 2.299 3.683 1.00 0.00 C ATOM 740 CD GLN A 46 -10.399 1.078 3.292 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.468 0.038 3.945 1.00 0.00 O ATOM 742 NE2 GLN A 46 -9.627 1.198 2.220 1.00 0.00 N ATOM 0 H GLN A 46 -12.497 4.818 3.020 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.127 4.311 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.486 3.920 2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.377 3.416 3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.524 2.200 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.107 2.343 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.600 2.079 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.061 0.409 1.908 1.00 0.00 H new ATOM 751 N ILE A 47 -9.932 6.783 3.644 1.00 0.00 N ATOM 752 CA ILE A 47 -8.992 7.897 3.675 1.00 0.00 C ATOM 753 C ILE A 47 -9.296 8.856 4.826 1.00 0.00 C ATOM 754 O ILE A 47 -8.406 9.210 5.599 1.00 0.00 O ATOM 755 CB ILE A 47 -9.010 8.682 2.349 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.849 7.731 1.163 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.914 9.737 2.341 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.364 8.299 -0.141 1.00 0.00 C ATOM 0 H ILE A 47 -10.597 6.812 2.871 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.002 7.466 3.824 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.972 9.185 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.794 7.480 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.376 6.802 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.941 10.282 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.072 10.432 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.943 9.254 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.217 7.570 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.426 8.524 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.820 9.213 -0.380 1.00 0.00 H new ATOM 770 N GLU A 48 -10.551 9.283 4.928 1.00 0.00 N ATOM 771 CA GLU A 48 -10.961 10.212 5.979 1.00 0.00 C ATOM 772 C GLU A 48 -11.262 9.487 7.289 1.00 0.00 C ATOM 773 O GLU A 48 -10.825 9.912 8.359 1.00 0.00 O ATOM 774 CB GLU A 48 -12.192 11.005 5.534 1.00 0.00 C ATOM 775 CG GLU A 48 -12.214 12.435 6.048 1.00 0.00 C ATOM 776 CD GLU A 48 -11.655 13.424 5.044 1.00 0.00 C ATOM 777 OE1 GLU A 48 -12.358 13.732 4.059 1.00 0.00 O ATOM 778 OE2 GLU A 48 -10.514 13.892 5.243 1.00 0.00 O ATOM 0 H GLU A 48 -11.302 9.002 4.297 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.130 10.895 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.230 11.019 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.089 10.490 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.239 12.713 6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.637 12.494 6.971 1.00 0.00 H new ATOM 785 N ALA A 49 -12.012 8.393 7.199 1.00 0.00 N ATOM 786 CA ALA A 49 -12.375 7.609 8.379 1.00 0.00 C ATOM 787 C ALA A 49 -11.138 7.215 9.178 1.00 0.00 C ATOM 788 O ALA A 49 -11.100 7.368 10.399 1.00 0.00 O ATOM 789 CB ALA A 49 -13.166 6.368 7.977 1.00 0.00 C ATOM 0 H ALA A 49 -12.381 8.027 6.321 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.004 8.232 9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.427 5.798 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.077 6.669 7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.560 5.749 7.315 1.00 0.00 H new ATOM 795 N ALA A 50 -10.124 6.714 8.481 1.00 0.00 N ATOM 796 CA ALA A 50 -8.883 6.306 9.125 1.00 0.00 C ATOM 797 C ALA A 50 -8.168 7.505 9.738 1.00 0.00 C ATOM 798 O ALA A 50 -7.595 7.410 10.824 1.00 0.00 O ATOM 799 CB ALA A 50 -7.977 5.600 8.128 1.00 0.00 C ATOM 0 H ALA A 50 -10.138 6.581 7.470 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.128 5.611 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.054 5.301 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.483 4.716 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.745 6.276 7.305 1.00 0.00 H new ATOM 805 N ARG A 51 -8.209 8.633 9.035 1.00 0.00 N ATOM 806 CA ARG A 51 -7.568 9.853 9.512 1.00 0.00 C ATOM 807 C ARG A 51 -8.174 10.297 10.840 1.00 0.00 C ATOM 808 O ARG A 51 -7.458 10.711 11.752 1.00 0.00 O ATOM 809 CB ARG A 51 -7.707 10.968 8.472 1.00 0.00 C ATOM 810 CG ARG A 51 -6.471 11.149 7.606 1.00 0.00 C ATOM 811 CD ARG A 51 -6.161 12.620 7.374 1.00 0.00 C ATOM 812 NE ARG A 51 -6.797 13.129 6.161 1.00 0.00 N ATOM 813 CZ ARG A 51 -6.915 14.423 5.873 1.00 0.00 C ATOM 814 NH1 ARG A 51 -6.443 15.341 6.706 1.00 0.00 N ATOM 815 NH2 ARG A 51 -7.508 14.800 4.748 1.00 0.00 N ATOM 0 H ARG A 51 -8.679 8.727 8.134 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.509 9.644 9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.561 10.751 7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.923 11.906 8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.618 10.668 8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.622 10.653 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.499 13.201 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.082 12.756 7.302 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.173 12.453 5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.987 15.057 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.536 16.331 6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.873 14.098 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.599 15.792 4.527 1.00 0.00 H new ATOM 829 N VAL A 52 -9.495 10.203 10.942 1.00 0.00 N ATOM 830 CA VAL A 52 -10.197 10.590 12.158 1.00 0.00 C ATOM 831 C VAL A 52 -9.717 9.770 13.350 1.00 0.00 C ATOM 832 O VAL A 52 -9.456 10.309 14.426 1.00 0.00 O ATOM 833 CB VAL A 52 -11.721 10.416 12.007 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.448 10.938 13.237 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.214 11.114 10.748 1.00 0.00 C ATOM 0 H VAL A 52 -10.101 9.862 10.196 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.976 11.643 12.331 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.938 9.352 11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.522 10.805 13.108 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.117 10.386 14.117 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.227 11.997 13.368 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.292 10.981 10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.983 12.178 10.808 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.720 10.684 9.877 1.00 0.00 H new ATOM 845 N ALA A 53 -9.600 8.461 13.149 1.00 0.00 N ATOM 846 CA ALA A 53 -9.148 7.561 14.202 1.00 0.00 C ATOM 847 C ALA A 53 -7.717 7.882 14.620 1.00 0.00 C ATOM 848 O ALA A 53 -7.370 7.802 15.798 1.00 0.00 O ATOM 849 CB ALA A 53 -9.255 6.117 13.738 1.00 0.00 C ATOM 0 H ALA A 53 -9.813 8.000 12.264 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.791 7.701 15.071 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.915 5.453 14.533 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.293 5.889 13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.634 5.972 12.854 1.00 0.00 H new ATOM 855 N MET A 54 -6.891 8.243 13.644 1.00 0.00 N ATOM 856 CA MET A 54 -5.495 8.575 13.905 1.00 0.00 C ATOM 857 C MET A 54 -5.376 9.906 14.641 1.00 0.00 C ATOM 858 O MET A 54 -4.664 10.012 15.640 1.00 0.00 O ATOM 859 CB MET A 54 -4.714 8.629 12.593 1.00 0.00 C ATOM 860 CG MET A 54 -4.557 7.273 11.929 1.00 0.00 C ATOM 861 SD MET A 54 -3.335 7.285 10.605 1.00 0.00 S ATOM 862 CE MET A 54 -4.340 7.841 9.232 1.00 0.00 C ATOM 0 H MET A 54 -7.164 8.313 12.664 1.00 0.00 H new ATOM 0 HA MET A 54 -5.074 7.796 14.541 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.220 9.306 11.905 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.726 9.049 12.784 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.267 6.537 12.679 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.519 6.956 11.527 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.381 7.061 8.472 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.349 8.058 9.584 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.903 8.743 8.803 1.00 0.00 H new ATOM 872 N VAL A 55 -6.075 10.920 14.140 1.00 0.00 N ATOM 873 CA VAL A 55 -6.045 12.244 14.750 1.00 0.00 C ATOM 874 C VAL A 55 -6.468 12.185 16.215 1.00 0.00 C ATOM 875 O VAL A 55 -5.936 12.911 17.055 1.00 0.00 O ATOM 876 CB VAL A 55 -6.968 13.227 14.001 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.843 14.629 14.579 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.652 13.226 12.512 1.00 0.00 C ATOM 0 H VAL A 55 -6.669 10.850 13.314 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.016 12.599 14.686 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.999 12.898 14.132 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.502 15.306 14.036 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.124 14.615 15.632 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.813 14.971 14.483 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.313 13.925 11.999 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.616 13.528 12.360 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.801 12.224 12.109 1.00 0.00 H new ATOM 888 N ARG A 56 -7.427 11.316 16.513 1.00 0.00 N ATOM 889 CA ARG A 56 -7.923 11.161 17.875 1.00 0.00 C ATOM 890 C ARG A 56 -6.927 10.391 18.738 1.00 0.00 C ATOM 891 O ARG A 56 -6.853 10.599 19.950 1.00 0.00 O ATOM 892 CB ARG A 56 -9.271 10.437 17.863 1.00 0.00 C ATOM 893 CG ARG A 56 -10.453 11.356 17.600 1.00 0.00 C ATOM 894 CD ARG A 56 -11.506 10.679 16.735 1.00 0.00 C ATOM 895 NE ARG A 56 -12.819 10.676 17.375 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.815 9.866 17.018 1.00 0.00 C ATOM 897 NH1 ARG A 56 -13.652 8.995 16.031 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.978 9.928 17.653 1.00 0.00 N ATOM 0 H ARG A 56 -7.877 10.708 15.829 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.051 12.155 18.305 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.249 9.659 17.100 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.415 9.939 18.822 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.899 11.657 18.548 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.106 12.265 17.108 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.571 11.192 15.775 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.201 9.653 16.528 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.983 11.332 18.139 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.760 8.942 15.540 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.419 8.378 15.763 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.109 10.595 18.413 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.741 9.309 17.381 1.00 0.00 H new ATOM 912 N HIS A 57 -6.168 9.500 18.109 1.00 0.00 N ATOM 913 CA HIS A 57 -5.180 8.696 18.821 1.00 0.00 C ATOM 914 C HIS A 57 -4.091 9.573 19.431 1.00 0.00 C ATOM 915 O HIS A 57 -3.798 9.475 20.624 1.00 0.00 O ATOM 916 CB HIS A 57 -4.555 7.666 17.880 1.00 0.00 C ATOM 917 CG HIS A 57 -3.984 6.478 18.590 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.641 5.823 19.609 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.808 5.827 18.422 1.00 0.00 C ATOM 920 CE1 HIS A 57 -3.893 4.821 20.040 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.777 4.801 19.335 1.00 0.00 N ATOM 0 H HIS A 57 -6.218 9.316 17.107 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.693 8.176 19.630 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.311 7.327 17.171 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.767 8.146 17.300 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.560 6.072 19.974 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.038 6.069 17.704 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.151 4.136 20.834 1.00 0.00 H new ATOM 930 N PHE A 58 -3.491 10.427 18.608 1.00 0.00 N ATOM 931 CA PHE A 58 -2.430 11.318 19.073 1.00 0.00 C ATOM 932 C PHE A 58 -2.920 12.194 20.223 1.00 0.00 C ATOM 933 O PHE A 58 -3.850 12.985 20.061 1.00 0.00 O ATOM 934 CB PHE A 58 -1.924 12.197 17.925 1.00 0.00 C ATOM 935 CG PHE A 58 -1.778 11.465 16.620 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.840 10.454 16.475 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.580 11.790 15.538 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.707 9.781 15.275 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.451 11.121 14.336 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.514 10.116 14.204 1.00 0.00 C ATOM 0 H PHE A 58 -3.719 10.522 17.618 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.607 10.700 19.434 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.612 13.031 17.788 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.959 12.622 18.203 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.206 10.190 17.309 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.315 12.576 15.635 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.026 8.995 15.174 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.083 11.384 13.500 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.412 9.592 13.265 1.00 0.00 H new ATOM 950 N ARG A 59 -2.292 12.042 21.384 1.00 0.00 N ATOM 951 CA ARG A 59 -2.666 12.814 22.564 1.00 0.00 C ATOM 952 C ARG A 59 -2.308 14.287 22.395 1.00 0.00 C ATOM 953 O ARG A 59 -3.066 15.170 22.796 1.00 0.00 O ATOM 954 CB ARG A 59 -1.975 12.250 23.807 1.00 0.00 C ATOM 955 CG ARG A 59 -2.482 10.876 24.213 1.00 0.00 C ATOM 956 CD ARG A 59 -2.287 10.629 25.700 1.00 0.00 C ATOM 957 NE ARG A 59 -2.286 9.205 26.024 1.00 0.00 N ATOM 958 CZ ARG A 59 -3.388 8.464 26.110 1.00 0.00 C ATOM 959 NH1 ARG A 59 -4.581 9.007 25.898 1.00 0.00 N ATOM 960 NH2 ARG A 59 -3.299 7.175 26.409 1.00 0.00 N ATOM 0 H ARG A 59 -1.521 11.391 21.533 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.746 12.736 22.687 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.902 12.192 23.622 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.118 12.941 24.638 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.540 10.789 23.964 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.956 10.110 23.643 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.345 11.074 26.021 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.081 11.127 26.257 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.388 8.752 26.194 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.657 9.998 25.668 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.422 8.433 25.965 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.386 6.751 26.573 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.144 6.607 26.475 1.00 0.00 H new ATOM 974 N ARG A 60 -1.149 14.543 21.800 1.00 0.00 N ATOM 975 CA ARG A 60 -0.689 15.909 21.580 1.00 0.00 C ATOM 976 C ARG A 60 -0.997 16.366 20.158 1.00 0.00 C ATOM 977 O ARG A 60 -0.246 17.142 19.567 1.00 0.00 O ATOM 978 CB ARG A 60 0.813 16.013 21.848 1.00 0.00 C ATOM 979 CG ARG A 60 1.172 15.966 23.324 1.00 0.00 C ATOM 980 CD ARG A 60 0.829 17.272 24.023 1.00 0.00 C ATOM 981 NE ARG A 60 1.705 17.528 25.164 1.00 0.00 N ATOM 982 CZ ARG A 60 1.419 18.385 26.141 1.00 0.00 C ATOM 983 NH1 ARG A 60 0.282 19.068 26.121 1.00 0.00 N ATOM 984 NH2 ARG A 60 2.273 18.558 27.141 1.00 0.00 N ATOM 0 H ARG A 60 -0.511 13.823 21.461 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.221 16.560 22.274 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.323 15.199 21.332 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.186 16.944 21.421 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.639 15.145 23.803 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.237 15.762 23.434 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.909 18.095 23.313 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.207 17.241 24.361 1.00 0.00 H new ATOM 0 HE ARG A 60 2.588 17.020 25.215 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.378 18.937 25.354 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.068 19.724 26.872 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.148 18.034 27.161 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.055 19.215 27.890 1.00 0.00 H new ATOM 998 N GLY A 61 -2.108 15.879 19.613 1.00 0.00 N ATOM 999 CA GLY A 61 -2.496 16.249 18.266 1.00 0.00 C ATOM 1000 C GLY A 61 -1.461 15.845 17.235 1.00 0.00 C ATOM 1001 O GLY A 61 -0.287 15.666 17.560 1.00 0.00 O ATOM 0 H GLY A 61 -2.746 15.235 20.081 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.449 15.779 18.023 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.651 17.327 18.218 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.895 15.702 15.987 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.985 15.317 14.925 1.00 0.00 C ATOM 1007 C GLY A 62 -1.572 15.547 13.547 1.00 0.00 C ATOM 1008 O GLY A 62 -2.790 15.512 13.369 1.00 0.00 O ATOM 0 H GLY A 62 -2.861 15.846 15.692 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.059 15.884 15.021 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.727 14.264 15.036 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.704 15.782 12.570 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.140 16.017 11.200 1.00 0.00 C ATOM 1014 C LYS A 63 -0.751 14.851 10.298 1.00 0.00 C ATOM 1015 O LYS A 63 0.393 14.394 10.316 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.536 17.318 10.665 1.00 0.00 C ATOM 1017 CG LYS A 63 0.979 17.378 10.775 1.00 0.00 C ATOM 1018 CD LYS A 63 1.446 18.700 11.366 1.00 0.00 C ATOM 1019 CE LYS A 63 2.728 19.184 10.710 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.912 18.987 11.591 1.00 0.00 N ATOM 0 H LYS A 63 0.307 15.815 12.702 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.226 16.104 11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.821 17.438 9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.965 18.159 11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.332 16.556 11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.422 17.243 9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.666 19.451 11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.607 18.584 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.880 18.649 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.632 20.241 10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.766 19.330 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.779 19.518 12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.019 17.975 11.807 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.711 14.369 9.514 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.469 13.253 8.608 1.00 0.00 C ATOM 1036 C ILE A 64 -1.551 13.699 7.153 1.00 0.00 C ATOM 1037 O ILE A 64 -2.529 14.320 6.738 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.473 12.101 8.829 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.900 12.022 10.299 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.866 10.781 8.378 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.892 10.915 10.581 1.00 0.00 C ATOM 0 H ILE A 64 -2.663 14.734 9.489 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.464 12.892 8.828 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.362 12.301 8.230 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.016 11.873 10.918 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.338 12.976 10.593 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.584 9.977 8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.617 10.838 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.962 10.581 8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.149 10.918 11.640 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.793 11.074 9.988 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.449 9.954 10.318 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.519 13.375 6.381 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.477 13.738 4.970 1.00 0.00 C ATOM 1055 C PHE A 65 -0.920 12.565 4.102 1.00 0.00 C ATOM 1056 O PHE A 65 -0.211 11.566 3.981 1.00 0.00 O ATOM 1057 CB PHE A 65 0.933 14.178 4.576 1.00 0.00 C ATOM 1058 CG PHE A 65 1.467 15.305 5.413 1.00 0.00 C ATOM 1059 CD1 PHE A 65 2.056 15.055 6.641 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.379 16.616 4.970 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.547 16.091 7.414 1.00 0.00 C ATOM 1062 CE2 PHE A 65 1.868 17.656 5.737 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.453 17.392 6.961 1.00 0.00 C ATOM 0 H PHE A 65 0.299 12.862 6.709 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.163 14.569 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.607 13.325 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.930 14.483 3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.133 14.039 6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.923 16.827 4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.003 15.883 8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.793 18.673 5.381 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.836 18.203 7.563 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.099 12.691 3.504 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.639 11.638 2.651 1.00 0.00 C ATOM 1075 C ILE A 66 -2.278 11.873 1.189 1.00 0.00 C ATOM 1076 O ILE A 66 -2.470 12.968 0.660 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.172 11.532 2.777 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.615 11.794 4.219 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.648 10.164 2.312 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -4.029 10.819 5.219 1.00 0.00 C ATOM 0 H ILE A 66 -2.699 13.511 3.594 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.191 10.704 2.990 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.623 12.291 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.328 12.807 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.703 11.745 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.732 10.104 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.366 10.016 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.187 9.390 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.386 11.065 6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.338 9.805 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.941 10.884 5.196 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.758 10.837 0.539 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.372 10.927 -0.863 1.00 0.00 C ATOM 1094 C ARG A 67 -2.387 10.215 -1.752 1.00 0.00 C ATOM 1095 O ARG A 67 -2.585 10.589 -2.908 1.00 0.00 O ATOM 1096 CB ARG A 67 0.018 10.325 -1.072 1.00 0.00 C ATOM 1097 CG ARG A 67 1.125 11.091 -0.366 1.00 0.00 C ATOM 1098 CD ARG A 67 1.336 12.465 -0.983 1.00 0.00 C ATOM 1099 NE ARG A 67 0.816 13.532 -0.133 1.00 0.00 N ATOM 1100 CZ ARG A 67 0.565 14.766 -0.563 1.00 0.00 C ATOM 1101 NH1 ARG A 67 0.785 15.093 -1.831 1.00 0.00 N ATOM 1102 NH2 ARG A 67 0.092 15.678 0.276 1.00 0.00 N ATOM 0 H ARG A 67 -1.594 9.924 0.963 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.348 11.981 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.016 9.295 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.234 10.293 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.877 11.200 0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.053 10.522 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.400 12.625 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.846 12.505 -1.956 1.00 0.00 H new ATOM 0 HE ARG A 67 0.634 13.319 0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.148 14.397 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.591 16.041 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.079 15.434 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.100 16.624 -0.054 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.028 9.187 -1.204 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.023 8.422 -1.945 1.00 0.00 C ATOM 1118 C ILE A 68 -5.300 9.230 -2.145 1.00 0.00 C ATOM 1119 O ILE A 68 -5.765 9.911 -1.231 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.369 7.103 -1.227 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -4.916 7.387 0.173 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.144 6.204 -1.150 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.454 6.157 0.871 1.00 0.00 C ATOM 0 H ILE A 68 -2.875 8.865 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.586 8.193 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.139 6.587 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.125 7.824 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.710 8.131 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.405 5.277 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.794 5.978 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.354 6.712 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.825 6.432 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.267 5.731 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.658 5.420 0.975 1.00 0.00 H new ATOM 1135 N PHE A 69 -5.866 9.146 -3.344 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.092 9.869 -3.663 1.00 0.00 C ATOM 1137 C PHE A 69 -7.990 9.035 -4.578 1.00 0.00 C ATOM 1138 O PHE A 69 -7.515 8.443 -5.548 1.00 0.00 O ATOM 1139 CB PHE A 69 -6.763 11.207 -4.328 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.263 12.398 -3.562 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -6.668 12.768 -2.367 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.326 13.148 -4.039 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -7.126 13.864 -1.660 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -8.788 14.244 -3.336 1.00 0.00 C ATOM 1145 CZ PHE A 69 -8.188 14.603 -2.144 1.00 0.00 C ATOM 0 H PHE A 69 -5.496 8.585 -4.111 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.627 10.059 -2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.682 11.289 -4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.195 11.222 -5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.837 12.194 -1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.798 12.873 -4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.654 14.142 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.618 14.820 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.548 15.459 -1.592 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.303 8.975 -4.286 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.254 8.206 -5.095 1.00 0.00 C ATOM 1157 C PRO A 70 -10.344 8.727 -6.526 1.00 0.00 C ATOM 1158 O PRO A 70 -10.528 9.923 -6.750 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.595 8.399 -4.372 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.238 8.866 -3.003 1.00 0.00 C ATOM 1161 CD PRO A 70 -9.964 9.643 -3.153 1.00 0.00 C ATOM 0 HA PRO A 70 -9.955 7.162 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.218 9.130 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.160 7.468 -4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.028 9.489 -2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.104 8.023 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.155 10.696 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.356 9.601 -2.249 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.423 4.795 -5.566 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.361 4.188 -4.771 1.00 0.00 C ATOM 1541 C VAL A 94 -9.986 4.611 -5.272 1.00 0.00 C ATOM 1542 O VAL A 94 -9.862 5.271 -6.302 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.439 2.648 -4.793 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.481 2.145 -3.807 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.733 2.144 -6.198 1.00 0.00 C ATOM 0 HA VAL A 94 -11.504 4.539 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.470 2.254 -4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.518 1.056 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.215 2.468 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.458 2.549 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.784 1.055 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.686 2.549 -6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.940 2.466 -6.873 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.952 4.214 -4.536 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.580 4.538 -4.902 1.00 0.00 C ATOM 1557 C ALA A 95 -6.733 3.273 -4.985 1.00 0.00 C ATOM 1558 O ALA A 95 -6.326 2.719 -3.964 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.982 5.515 -3.900 1.00 0.00 C ATOM 0 H ALA A 95 -9.040 3.666 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.587 5.009 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.956 5.748 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.572 6.431 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.988 5.067 -2.906 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.477 2.815 -6.206 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.687 1.609 -6.421 1.00 0.00 C ATOM 1567 C VAL A 96 -4.278 1.759 -5.860 1.00 0.00 C ATOM 1568 O VAL A 96 -3.581 2.731 -6.151 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.598 1.249 -7.917 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.040 -0.155 -8.097 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.962 1.381 -8.584 1.00 0.00 C ATOM 0 H VAL A 96 -6.806 3.262 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.199 0.805 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.917 1.950 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.985 -0.391 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.042 -0.209 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.693 -0.872 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.877 1.122 -9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.670 0.707 -8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.316 2.408 -8.489 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.866 0.787 -5.052 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.540 0.803 -4.444 1.00 0.00 C ATOM 1583 C VAL A 97 -1.792 -0.498 -4.728 1.00 0.00 C ATOM 1584 O VAL A 97 -2.400 -1.510 -5.072 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.626 1.011 -2.921 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.242 1.218 -2.329 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.536 2.184 -2.592 1.00 0.00 C ATOM 0 H VAL A 97 -4.433 -0.023 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.996 1.637 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.054 0.113 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.325 1.363 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.625 0.342 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.782 2.097 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.584 2.315 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.141 3.091 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.536 1.988 -2.979 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.471 -0.463 -4.579 1.00 0.00 N ATOM 1598 CA LYS A 98 0.359 -1.641 -4.815 1.00 0.00 C ATOM 1599 C LYS A 98 1.318 -1.872 -3.649 1.00 0.00 C ATOM 1600 O LYS A 98 1.594 -0.958 -2.873 1.00 0.00 O ATOM 1601 CB LYS A 98 1.148 -1.482 -6.116 1.00 0.00 C ATOM 1602 CG LYS A 98 0.453 -2.083 -7.327 1.00 0.00 C ATOM 1603 CD LYS A 98 1.387 -2.158 -8.523 1.00 0.00 C ATOM 1604 CE LYS A 98 1.201 -0.970 -9.452 1.00 0.00 C ATOM 1605 NZ LYS A 98 1.683 0.297 -8.834 1.00 0.00 N ATOM 0 H LYS A 98 0.048 0.368 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.297 -2.507 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.323 -0.422 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.125 -1.951 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.092 -3.082 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.420 -1.482 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.420 -2.192 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.204 -3.082 -9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.740 -1.148 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.146 -0.871 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.827 1.012 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.977 0.642 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.582 0.123 -8.342 1.00 0.00 H new ATOM 1619 N PRO A 99 1.846 -3.101 -3.508 1.00 0.00 N ATOM 1620 CA PRO A 99 2.781 -3.435 -2.430 1.00 0.00 C ATOM 1621 C PRO A 99 3.970 -2.483 -2.386 1.00 0.00 C ATOM 1622 O PRO A 99 4.773 -2.433 -3.318 1.00 0.00 O ATOM 1623 CB PRO A 99 3.240 -4.854 -2.777 1.00 0.00 C ATOM 1624 CG PRO A 99 2.144 -5.414 -3.617 1.00 0.00 C ATOM 1625 CD PRO A 99 1.578 -4.253 -4.388 1.00 0.00 C ATOM 0 HA PRO A 99 2.316 -3.357 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.186 -4.842 -3.318 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.394 -5.451 -1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.523 -6.182 -4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.378 -5.882 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.062 -4.140 -5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.511 -4.376 -4.576 1.00 0.00 H new ATOM 1633 N GLY A 100 4.071 -1.726 -1.301 1.00 0.00 N ATOM 1634 CA GLY A 100 5.159 -0.779 -1.156 1.00 0.00 C ATOM 1635 C GLY A 100 4.740 0.634 -1.510 1.00 0.00 C ATOM 1636 O GLY A 100 5.534 1.405 -2.049 1.00 0.00 O ATOM 0 H GLY A 100 3.418 -1.751 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.523 -0.801 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.989 -1.081 -1.795 1.00 0.00 H new ATOM 1640 N ARG A 101 3.488 0.972 -1.214 1.00 0.00 N ATOM 1641 CA ARG A 101 2.968 2.304 -1.511 1.00 0.00 C ATOM 1642 C ARG A 101 2.610 3.061 -0.237 1.00 0.00 C ATOM 1643 O ARG A 101 1.790 2.602 0.557 1.00 0.00 O ATOM 1644 CB ARG A 101 1.732 2.202 -2.405 1.00 0.00 C ATOM 1645 CG ARG A 101 1.755 3.159 -3.586 1.00 0.00 C ATOM 1646 CD ARG A 101 1.699 4.605 -3.126 1.00 0.00 C ATOM 1647 NE ARG A 101 1.283 5.506 -4.199 1.00 0.00 N ATOM 1648 CZ ARG A 101 0.062 5.517 -4.726 1.00 0.00 C ATOM 1649 NH1 ARG A 101 -0.867 4.677 -4.283 1.00 0.00 N ATOM 1650 NH2 ARG A 101 -0.234 6.370 -5.697 1.00 0.00 N ATOM 0 H ARG A 101 2.817 0.345 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 101 3.753 2.855 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.646 1.181 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.843 2.399 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.660 2.996 -4.171 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.910 2.951 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.005 4.693 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.680 4.907 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 101 1.970 6.165 -4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.645 4.020 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.802 4.690 -4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.475 7.018 -6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.171 6.378 -6.101 1.00 0.00 H new ATOM 1664 N VAL A 102 3.217 4.229 -0.055 1.00 0.00 N ATOM 1665 CA VAL A 102 2.949 5.056 1.115 1.00 0.00 C ATOM 1666 C VAL A 102 1.619 5.788 0.959 1.00 0.00 C ATOM 1667 O VAL A 102 1.513 6.743 0.189 1.00 0.00 O ATOM 1668 CB VAL A 102 4.069 6.091 1.350 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.936 6.715 2.730 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.442 5.454 1.173 1.00 0.00 C ATOM 0 H VAL A 102 3.898 4.624 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 102 2.905 4.389 1.976 1.00 0.00 H new ATOM 0 HB VAL A 102 3.967 6.881 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.734 7.442 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.970 7.214 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.008 5.937 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.215 6.203 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.561 4.640 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.534 5.062 0.160 1.00 0.00 H new ATOM 1680 N MET A 103 0.603 5.325 1.681 1.00 0.00 N ATOM 1681 CA MET A 103 -0.723 5.927 1.609 1.00 0.00 C ATOM 1682 C MET A 103 -0.903 7.021 2.657 1.00 0.00 C ATOM 1683 O MET A 103 -1.558 8.032 2.403 1.00 0.00 O ATOM 1684 CB MET A 103 -1.802 4.856 1.794 1.00 0.00 C ATOM 1685 CG MET A 103 -1.518 3.563 1.047 1.00 0.00 C ATOM 1686 SD MET A 103 -0.686 2.337 2.073 1.00 0.00 S ATOM 1687 CE MET A 103 -2.084 1.508 2.825 1.00 0.00 C ATOM 0 H MET A 103 0.673 4.535 2.322 1.00 0.00 H new ATOM 0 HA MET A 103 -0.823 6.381 0.623 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.904 4.636 2.857 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.759 5.256 1.458 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.456 3.147 0.679 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.901 3.780 0.175 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.727 0.698 3.461 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.649 2.220 3.426 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.728 1.100 2.045 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.333 6.812 3.838 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.448 7.781 4.923 1.00 0.00 C ATOM 1699 C PHE A 104 0.922 8.212 5.435 1.00 0.00 C ATOM 1700 O PHE A 104 1.912 7.506 5.251 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.266 7.187 6.069 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.738 7.117 5.782 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.251 6.117 4.970 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.608 8.049 6.323 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.605 6.049 4.704 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.963 7.986 6.061 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.463 6.984 5.251 1.00 0.00 C ATOM 0 H PHE A 104 0.213 5.982 4.069 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.954 8.663 4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.898 6.184 6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.107 7.785 6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.585 5.383 4.541 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.223 8.834 6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.993 5.266 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.631 8.719 6.489 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.522 6.932 5.046 1.00 0.00 H new ATOM 1717 N GLU A 105 0.965 9.376 6.080 1.00 0.00 N ATOM 1718 CA GLU A 105 2.208 9.912 6.627 1.00 0.00 C ATOM 1719 C GLU A 105 1.921 10.862 7.788 1.00 0.00 C ATOM 1720 O GLU A 105 1.111 11.780 7.661 1.00 0.00 O ATOM 1721 CB GLU A 105 2.993 10.652 5.542 1.00 0.00 C ATOM 1722 CG GLU A 105 3.583 9.740 4.478 1.00 0.00 C ATOM 1723 CD GLU A 105 2.748 9.704 3.213 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.788 10.690 2.447 1.00 0.00 O ATOM 1725 OE2 GLU A 105 2.053 8.691 2.989 1.00 0.00 O ATOM 0 H GLU A 105 0.149 9.968 6.237 1.00 0.00 H new ATOM 0 HA GLU A 105 2.804 9.076 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.335 11.376 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.799 11.216 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.591 10.077 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.672 8.730 4.879 1.00 0.00 H new ATOM 1732 N VAL A 106 2.592 10.644 8.915 1.00 0.00 N ATOM 1733 CA VAL A 106 2.404 11.492 10.089 1.00 0.00 C ATOM 1734 C VAL A 106 3.712 12.153 10.507 1.00 0.00 C ATOM 1735 O VAL A 106 4.796 11.655 10.202 1.00 0.00 O ATOM 1736 CB VAL A 106 1.841 10.703 11.287 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.441 10.195 10.981 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.767 9.554 11.662 1.00 0.00 C ATOM 0 H VAL A 106 3.268 9.891 9.041 1.00 0.00 H new ATOM 0 HA VAL A 106 1.683 12.257 9.801 1.00 0.00 H new ATOM 0 HB VAL A 106 1.779 11.376 12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.060 9.640 11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.216 11.040 10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.474 9.540 10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.349 9.012 12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.870 8.878 10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.746 9.949 11.931 1.00 0.00 H new ATOM 1748 N ALA A 107 3.602 13.276 11.209 1.00 0.00 N ATOM 1749 CA ALA A 107 4.776 14.005 11.672 1.00 0.00 C ATOM 1750 C ALA A 107 4.474 14.779 12.951 1.00 0.00 C ATOM 1751 O ALA A 107 3.388 15.335 13.109 1.00 0.00 O ATOM 1752 CB ALA A 107 5.274 14.949 10.586 1.00 0.00 C ATOM 0 H ALA A 107 2.712 13.701 11.469 1.00 0.00 H new ATOM 0 HA ALA A 107 5.558 13.279 11.894 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.151 15.487 10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.539 14.375 9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.489 15.662 10.336 1.00 0.00 H new ATOM 1758 N GLY A 108 5.443 14.812 13.858 1.00 0.00 N ATOM 1759 CA GLY A 108 5.263 15.523 15.109 1.00 0.00 C ATOM 1760 C GLY A 108 4.807 14.621 16.239 1.00 0.00 C ATOM 1761 O GLY A 108 5.026 14.929 17.411 1.00 0.00 O ATOM 0 H GLY A 108 6.350 14.359 13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.202 16.000 15.388 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.531 16.318 14.967 1.00 0.00 H new ATOM 1765 N VAL A 109 4.170 13.506 15.893 1.00 0.00 N ATOM 1766 CA VAL A 109 3.683 12.568 16.897 1.00 0.00 C ATOM 1767 C VAL A 109 4.763 11.565 17.291 1.00 0.00 C ATOM 1768 O VAL A 109 5.687 11.298 16.523 1.00 0.00 O ATOM 1769 CB VAL A 109 2.440 11.805 16.402 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.303 12.777 16.130 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.766 10.981 15.163 1.00 0.00 C ATOM 0 H VAL A 109 3.980 13.232 14.929 1.00 0.00 H new ATOM 0 HA VAL A 109 3.410 13.160 17.771 1.00 0.00 H new ATOM 0 HB VAL A 109 2.122 11.114 17.183 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.429 12.227 15.781 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.053 13.310 17.047 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.610 13.492 15.367 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.872 10.452 14.833 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.111 11.641 14.367 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.548 10.260 15.401 1.00 0.00 H new ATOM 1781 N THR A 110 4.640 11.012 18.494 1.00 0.00 N ATOM 1782 CA THR A 110 5.605 10.039 18.993 1.00 0.00 C ATOM 1783 C THR A 110 5.541 8.746 18.187 1.00 0.00 C ATOM 1784 O THR A 110 4.577 8.502 17.462 1.00 0.00 O ATOM 1785 CB THR A 110 5.347 9.745 20.472 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.209 8.916 20.627 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.125 10.992 21.300 1.00 0.00 C ATOM 0 H THR A 110 3.880 11.222 19.142 1.00 0.00 H new ATOM 0 HA THR A 110 6.602 10.465 18.883 1.00 0.00 H new ATOM 0 HB THR A 110 6.249 9.248 20.830 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.061 8.738 21.579 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.948 10.712 22.339 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.007 11.630 21.241 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.260 11.534 20.917 1.00 0.00 H new ATOM 1795 N GLU A 111 6.574 7.922 18.319 1.00 0.00 N ATOM 1796 CA GLU A 111 6.636 6.652 17.602 1.00 0.00 C ATOM 1797 C GLU A 111 5.462 5.754 17.978 1.00 0.00 C ATOM 1798 O GLU A 111 4.899 5.065 17.127 1.00 0.00 O ATOM 1799 CB GLU A 111 7.957 5.939 17.903 1.00 0.00 C ATOM 1800 CG GLU A 111 8.098 4.597 17.205 1.00 0.00 C ATOM 1801 CD GLU A 111 9.419 3.917 17.509 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.474 4.563 17.332 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.400 2.740 17.924 1.00 0.00 O ATOM 0 H GLU A 111 7.380 8.110 18.915 1.00 0.00 H new ATOM 0 HA GLU A 111 6.578 6.863 16.534 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.784 6.583 17.604 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.042 5.790 18.979 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.279 3.945 17.510 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.007 4.740 16.128 1.00 0.00 H new ATOM 1810 N GLU A 112 5.099 5.765 19.256 1.00 0.00 N ATOM 1811 CA GLU A 112 3.994 4.948 19.743 1.00 0.00 C ATOM 1812 C GLU A 112 2.666 5.417 19.158 1.00 0.00 C ATOM 1813 O GLU A 112 1.849 4.608 18.720 1.00 0.00 O ATOM 1814 CB GLU A 112 3.933 4.991 21.272 1.00 0.00 C ATOM 1815 CG GLU A 112 3.554 3.661 21.904 1.00 0.00 C ATOM 1816 CD GLU A 112 3.185 3.796 23.368 1.00 0.00 C ATOM 1817 OE1 GLU A 112 3.834 4.596 24.072 1.00 0.00 O ATOM 1818 OE2 GLU A 112 2.246 3.100 23.808 1.00 0.00 O ATOM 0 H GLU A 112 5.554 6.330 19.973 1.00 0.00 H new ATOM 0 HA GLU A 112 4.169 3.922 19.421 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.904 5.303 21.657 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.210 5.748 21.577 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.714 3.230 21.359 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.388 2.965 21.806 1.00 0.00 H new ATOM 1825 N GLN A 113 2.455 6.729 19.154 1.00 0.00 N ATOM 1826 CA GLN A 113 1.224 7.304 18.624 1.00 0.00 C ATOM 1827 C GLN A 113 1.219 7.270 17.100 1.00 0.00 C ATOM 1828 O GLN A 113 0.180 7.051 16.477 1.00 0.00 O ATOM 1829 CB GLN A 113 1.057 8.744 19.114 1.00 0.00 C ATOM 1830 CG GLN A 113 1.342 8.918 20.597 1.00 0.00 C ATOM 1831 CD GLN A 113 0.109 9.311 21.387 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -0.148 10.494 21.613 1.00 0.00 O ATOM 1833 NE2 GLN A 113 -0.662 8.317 21.813 1.00 0.00 N ATOM 0 H GLN A 113 3.121 7.414 19.512 1.00 0.00 H new ATOM 0 HA GLN A 113 0.388 6.705 18.985 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.724 9.392 18.546 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.039 9.074 18.907 1.00 0.00 H new ATOM 0 HG2 GLN A 113 1.744 7.987 20.997 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.111 9.680 20.728 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -0.411 7.351 21.603 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -1.505 8.520 22.350 1.00 0.00 H new ATOM 1842 N ALA A 114 2.385 7.493 16.506 1.00 0.00 N ATOM 1843 CA ALA A 114 2.518 7.493 15.055 1.00 0.00 C ATOM 1844 C ALA A 114 2.392 6.084 14.486 1.00 0.00 C ATOM 1845 O ALA A 114 1.653 5.856 13.527 1.00 0.00 O ATOM 1846 CB ALA A 114 3.848 8.105 14.655 1.00 0.00 C ATOM 0 H ALA A 114 3.254 7.676 17.008 1.00 0.00 H new ATOM 0 HA ALA A 114 1.708 8.094 14.641 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.938 8.101 13.569 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.901 9.131 15.019 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.661 7.524 15.089 1.00 0.00 H new ATOM 1852 N MET A 115 3.118 5.142 15.078 1.00 0.00 N ATOM 1853 CA MET A 115 3.085 3.756 14.626 1.00 0.00 C ATOM 1854 C MET A 115 1.688 3.167 14.785 1.00 0.00 C ATOM 1855 O MET A 115 1.159 2.541 13.867 1.00 0.00 O ATOM 1856 CB MET A 115 4.101 2.919 15.405 1.00 0.00 C ATOM 1857 CG MET A 115 5.547 3.292 15.112 1.00 0.00 C ATOM 1858 SD MET A 115 6.426 2.009 14.196 1.00 0.00 S ATOM 1859 CE MET A 115 7.600 2.997 13.270 1.00 0.00 C ATOM 0 H MET A 115 3.736 5.313 15.871 1.00 0.00 H new ATOM 0 HA MET A 115 3.348 3.737 13.568 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.913 3.035 16.472 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.951 1.866 15.168 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.570 4.220 14.541 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.066 3.482 16.051 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.120 2.365 12.551 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.071 3.790 12.741 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.324 3.439 13.955 1.00 0.00 H new ATOM 1869 N GLU A 116 1.093 3.377 15.955 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.245 2.869 16.229 1.00 0.00 C ATOM 1871 C GLU A 116 -1.266 3.515 15.299 1.00 0.00 C ATOM 1872 O GLU A 116 -2.084 2.829 14.686 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.628 3.132 17.685 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.614 2.120 18.246 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.283 1.709 19.667 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.206 1.112 19.877 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.100 1.984 20.571 1.00 0.00 O ATOM 0 H GLU A 116 1.515 3.894 16.726 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.243 1.793 16.053 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.274 3.125 18.296 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.059 4.130 17.764 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.618 2.543 18.219 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.623 1.236 17.609 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.210 4.840 15.195 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.129 5.578 14.337 1.00 0.00 C ATOM 1886 C ALA A 117 -2.045 5.087 12.896 1.00 0.00 C ATOM 1887 O ALA A 117 -3.062 4.798 12.267 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.835 7.069 14.406 1.00 0.00 C ATOM 0 H ALA A 117 -0.538 5.423 15.694 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.143 5.403 14.696 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.529 7.607 13.760 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.952 7.416 15.433 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.813 7.254 14.074 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.824 4.982 12.384 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.612 4.513 11.020 1.00 0.00 C ATOM 1896 C LEU A 118 -1.150 3.097 10.859 1.00 0.00 C ATOM 1897 O LEU A 118 -1.627 2.718 9.788 1.00 0.00 O ATOM 1898 CB LEU A 118 0.880 4.554 10.668 1.00 0.00 C ATOM 1899 CG LEU A 118 1.378 5.849 10.011 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.513 7.039 10.403 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.830 6.104 10.385 1.00 0.00 C ATOM 0 H LEU A 118 0.031 5.214 12.890 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.150 5.172 10.339 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.453 4.388 11.580 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.099 3.722 9.998 1.00 0.00 H new ATOM 0 HG LEU A 118 1.306 5.726 8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.893 7.940 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.514 6.863 10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.540 7.168 11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.171 7.025 9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.916 6.198 11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.445 5.272 10.043 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.073 2.319 11.935 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.556 0.945 11.925 1.00 0.00 C ATOM 1915 C ARG A 119 -3.082 0.910 11.960 1.00 0.00 C ATOM 1916 O ARG A 119 -3.711 0.114 11.263 1.00 0.00 O ATOM 1917 CB ARG A 119 -0.982 0.172 13.115 1.00 0.00 C ATOM 1918 CG ARG A 119 0.012 -0.907 12.717 1.00 0.00 C ATOM 1919 CD ARG A 119 1.361 -0.703 13.388 1.00 0.00 C ATOM 1920 NE ARG A 119 1.969 -1.968 13.793 1.00 0.00 N ATOM 1921 CZ ARG A 119 1.622 -2.641 14.888 1.00 0.00 C ATOM 1922 NH1 ARG A 119 0.671 -2.174 15.689 1.00 0.00 N ATOM 1923 NH2 ARG A 119 2.226 -3.784 15.183 1.00 0.00 N ATOM 0 H ARG A 119 -0.679 2.620 12.827 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.221 0.470 11.003 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.493 0.873 13.791 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.801 -0.287 13.669 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.385 -1.885 12.988 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.140 -0.903 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.031 -0.182 12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.238 -0.064 14.262 1.00 0.00 H new ATOM 0 HE ARG A 119 2.703 -2.359 13.202 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.203 -1.296 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.409 -2.694 16.527 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.956 -4.148 14.571 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.960 -4.300 16.022 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.672 1.784 12.773 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.125 1.858 12.894 1.00 0.00 C ATOM 1939 C ILE A 120 -5.772 2.036 11.524 1.00 0.00 C ATOM 1940 O ILE A 120 -6.868 1.535 11.273 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.553 3.015 13.823 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.067 2.757 15.250 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.066 3.197 13.805 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -4.839 4.022 16.048 1.00 0.00 C ATOM 0 H ILE A 120 -3.166 2.450 13.357 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.464 0.919 13.331 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.095 3.933 13.455 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.799 2.137 15.768 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.138 2.189 15.212 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.342 4.018 14.467 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.393 3.424 12.790 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.547 2.280 14.145 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.495 3.763 17.050 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.085 4.634 15.553 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.772 4.581 16.118 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.080 2.747 10.640 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.583 2.982 9.293 1.00 0.00 C ATOM 1958 C ALA A 121 -5.599 1.686 8.494 1.00 0.00 C ATOM 1959 O ALA A 121 -6.600 1.345 7.862 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.738 4.032 8.588 1.00 0.00 C ATOM 0 H ALA A 121 -4.172 3.169 10.832 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.606 3.352 9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.126 4.197 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.776 4.966 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.706 3.687 8.526 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.485 0.962 8.534 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.389 -0.295 7.817 1.00 0.00 C ATOM 1968 C GLY A 122 -5.325 -1.351 8.372 1.00 0.00 C ATOM 1969 O GLY A 122 -5.685 -2.299 7.675 1.00 0.00 O ATOM 0 H GLY A 122 -3.646 1.225 9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.618 -0.128 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.363 -0.661 7.866 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.724 -1.186 9.631 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.627 -2.132 10.275 1.00 0.00 C ATOM 1975 C HIS A 123 -7.939 -2.235 9.505 1.00 0.00 C ATOM 1976 O HIS A 123 -8.445 -3.332 9.266 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.900 -1.706 11.719 1.00 0.00 C ATOM 1978 CG HIS A 123 -5.777 -2.019 12.657 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -5.652 -1.440 13.903 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -4.721 -2.857 12.528 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -4.568 -1.907 14.497 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -3.986 -2.768 13.684 1.00 0.00 N ATOM 0 H HIS A 123 -5.436 -0.407 10.223 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.149 -3.112 10.278 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -7.094 -0.634 11.742 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.805 -2.201 12.070 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -4.498 -3.480 11.674 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -4.218 -1.631 15.481 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -3.129 -3.284 13.882 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.484 -1.086 9.118 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.735 -1.049 8.370 1.00 0.00 C ATOM 1993 C LYS A 124 -9.488 -1.231 6.872 1.00 0.00 C ATOM 1994 O LYS A 124 -10.429 -1.239 6.078 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.467 0.271 8.624 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.731 1.492 8.096 1.00 0.00 C ATOM 1997 CD LYS A 124 -10.500 2.772 8.382 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.456 3.131 9.860 1.00 0.00 C ATOM 1999 NZ LYS A 124 -11.616 3.973 10.262 1.00 0.00 N ATOM 0 H LYS A 124 -8.079 -0.170 9.310 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.357 -1.874 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.453 0.224 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.624 0.388 9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.744 1.549 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -9.579 1.390 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -10.080 3.589 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.536 2.653 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.447 2.218 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -9.529 3.662 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.277 4.907 10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.259 4.087 9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.123 3.514 11.046 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.221 -1.380 6.490 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.864 -1.566 5.087 1.00 0.00 C ATOM 2015 C LEU A 125 -7.984 -3.034 4.690 1.00 0.00 C ATOM 2016 O LEU A 125 -7.875 -3.924 5.533 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.436 -1.077 4.831 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.271 0.443 4.758 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.819 0.812 4.485 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.183 1.026 3.690 1.00 0.00 C ATOM 0 H LEU A 125 -7.428 -1.375 7.131 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.556 -0.981 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.791 -1.459 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.083 -1.510 3.895 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.555 0.867 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.722 1.897 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.189 0.427 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.505 0.377 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.053 2.108 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.930 0.595 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.220 0.794 3.931 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.210 -3.308 3.394 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.346 -4.669 2.886 1.00 0.00 C ATOM 2034 C PRO A 126 -7.003 -5.296 2.514 1.00 0.00 C ATOM 2035 O PRO A 126 -6.947 -6.240 1.726 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.205 -4.468 1.642 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.813 -3.122 1.127 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.358 -2.309 2.318 1.00 0.00 C ATOM 0 HA PRO A 126 -8.771 -5.349 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.018 -5.246 0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.267 -4.506 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.014 -3.208 0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.654 -2.639 0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.417 -1.797 2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.088 -1.543 2.581 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.922 -4.768 3.084 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.585 -5.278 2.807 1.00 0.00 C ATOM 2048 C ILE A 127 -3.645 -5.023 3.981 1.00 0.00 C ATOM 2049 O ILE A 127 -3.964 -4.255 4.889 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.993 -4.639 1.538 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.168 -3.119 1.576 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.650 -5.221 0.297 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.233 -2.426 2.543 1.00 0.00 C ATOM 0 H ILE A 127 -5.948 -3.987 3.740 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.681 -6.352 2.651 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.927 -4.862 1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.005 -2.718 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.197 -2.887 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.221 -4.759 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.479 -6.297 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.722 -5.025 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.413 -1.351 2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.411 -2.799 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.200 -2.628 2.258 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.486 -5.674 3.956 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.499 -5.519 5.018 1.00 0.00 C ATOM 2067 C LYS A 128 -0.705 -4.226 4.843 1.00 0.00 C ATOM 2068 O LYS A 128 -0.394 -3.824 3.723 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.548 -6.719 5.038 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.389 -7.347 6.414 1.00 0.00 C ATOM 2071 CD LYS A 128 0.165 -6.352 7.419 1.00 0.00 C ATOM 2072 CE LYS A 128 0.774 -7.055 8.622 1.00 0.00 C ATOM 2073 NZ LYS A 128 0.800 -6.179 9.825 1.00 0.00 N ATOM 0 H LYS A 128 -2.208 -6.314 3.212 1.00 0.00 H new ATOM 0 HA LYS A 128 -2.030 -5.469 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.915 -7.474 4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.431 -6.403 4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.354 -7.716 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.277 -8.208 6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.921 -5.731 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.632 -5.686 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.203 -7.957 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 128 1.789 -7.371 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 1.223 -6.696 10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.366 -5.330 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.171 -5.898 10.071 1.00 0.00 H new ATOM 2087 N THR A 129 -0.384 -3.582 5.961 1.00 0.00 N ATOM 2088 CA THR A 129 0.374 -2.335 5.935 1.00 0.00 C ATOM 2089 C THR A 129 1.294 -2.237 7.149 1.00 0.00 C ATOM 2090 O THR A 129 0.963 -2.724 8.230 1.00 0.00 O ATOM 2091 CB THR A 129 -0.575 -1.136 5.909 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.098 -0.882 7.202 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.747 -1.313 4.968 1.00 0.00 C ATOM 0 H THR A 129 -0.637 -3.903 6.896 1.00 0.00 H new ATOM 0 HA THR A 129 0.984 -2.328 5.031 1.00 0.00 H new ATOM 0 HB THR A 129 0.029 -0.301 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.453 -1.713 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.378 -0.425 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.379 -1.459 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.329 -2.183 5.272 1.00 0.00 H new ATOM 2101 N LYS A 130 2.450 -1.602 6.967 1.00 0.00 N ATOM 2102 CA LYS A 130 3.408 -1.443 8.056 1.00 0.00 C ATOM 2103 C LYS A 130 3.891 0.001 8.155 1.00 0.00 C ATOM 2104 O LYS A 130 3.809 0.760 7.189 1.00 0.00 O ATOM 2105 CB LYS A 130 4.599 -2.384 7.865 1.00 0.00 C ATOM 2106 CG LYS A 130 5.256 -2.267 6.499 1.00 0.00 C ATOM 2107 CD LYS A 130 6.679 -1.745 6.606 1.00 0.00 C ATOM 2108 CE LYS A 130 7.360 -1.706 5.248 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.762 -2.201 5.315 1.00 0.00 N ATOM 0 H LYS A 130 2.744 -1.192 6.081 1.00 0.00 H new ATOM 0 HA LYS A 130 2.902 -1.700 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.342 -2.176 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.266 -3.412 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 130 5.261 -3.242 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.669 -1.599 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.669 -0.745 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.251 -2.380 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.794 -2.313 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.354 -0.684 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.191 -2.158 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.309 -1.607 5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.767 -3.184 5.653 1.00 0.00 H new ATOM 2123 N ILE A 131 4.388 0.376 9.330 1.00 0.00 N ATOM 2124 CA ILE A 131 4.880 1.732 9.558 1.00 0.00 C ATOM 2125 C ILE A 131 6.329 1.874 9.107 1.00 0.00 C ATOM 2126 O ILE A 131 7.125 0.946 9.245 1.00 0.00 O ATOM 2127 CB ILE A 131 4.795 2.134 11.046 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.568 1.506 11.716 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.770 3.652 11.188 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.265 1.826 11.020 1.00 0.00 C ATOM 0 H ILE A 131 4.461 -0.240 10.140 1.00 0.00 H new ATOM 0 HA ILE A 131 4.240 2.391 8.971 1.00 0.00 H new ATOM 0 HB ILE A 131 5.683 1.755 11.551 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.696 0.424 11.748 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.512 1.851 12.748 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.710 3.918 12.243 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.680 4.073 10.759 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.903 4.052 10.663 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.442 1.348 11.551 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.113 2.905 11.011 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.299 1.456 9.995 1.00 0.00 H new ATOM 2142 N VAL A 132 6.670 3.045 8.577 1.00 0.00 N ATOM 2143 CA VAL A 132 8.027 3.304 8.122 1.00 0.00 C ATOM 2144 C VAL A 132 8.385 4.783 8.264 1.00 0.00 C ATOM 2145 O VAL A 132 7.534 5.658 8.111 1.00 0.00 O ATOM 2146 CB VAL A 132 8.229 2.862 6.658 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.721 1.444 6.454 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.541 3.824 5.701 1.00 0.00 C ATOM 0 H VAL A 132 6.026 3.826 8.453 1.00 0.00 H new ATOM 0 HA VAL A 132 8.690 2.716 8.757 1.00 0.00 H new ATOM 0 HB VAL A 132 9.297 2.878 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.872 1.149 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.268 0.764 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.658 1.400 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.698 3.491 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.473 3.848 5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.959 4.823 5.826 1.00 0.00 H new ATOM 2158 N ARG A 133 9.650 5.044 8.560 1.00 0.00 N ATOM 2159 CA ARG A 133 10.144 6.407 8.731 1.00 0.00 C ATOM 2160 C ARG A 133 10.576 7.009 7.406 1.00 0.00 C ATOM 2161 O ARG A 133 10.753 6.295 6.421 1.00 0.00 O ATOM 2162 CB ARG A 133 11.334 6.427 9.677 1.00 0.00 C ATOM 2163 CG ARG A 133 11.174 7.390 10.844 1.00 0.00 C ATOM 2164 CD ARG A 133 11.858 6.868 12.098 1.00 0.00 C ATOM 2165 NE ARG A 133 12.652 7.901 12.758 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.134 9.000 13.303 1.00 0.00 C ATOM 2167 NH1 ARG A 133 10.824 9.211 13.271 1.00 0.00 N ATOM 2168 NH2 ARG A 133 12.927 9.890 13.883 1.00 0.00 N ATOM 0 H ARG A 133 10.361 4.324 8.688 1.00 0.00 H new ATOM 0 HA ARG A 133 9.325 6.996 9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.493 5.422 10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.228 6.697 9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.594 8.360 10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.114 7.546 11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.106 6.491 12.791 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.501 6.028 11.837 1.00 0.00 H new ATOM 0 HE ARG A 133 13.663 7.773 12.804 1.00 0.00 H new ATOM 0 HH11 ARG A 133 10.208 8.529 12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 133 10.433 10.055 13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.934 9.733 13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.530 10.732 14.300 1.00 0.00 H new