USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=9 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 -26:sc= -0.688 USER MOD Set 1.2: A 115 MET CE :methyl 167:sc= -0.953 (180deg=-1.37) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 45 GLN : amide:sc= -1.55 K(o=-1.6,f=-4.8!) USER MOD Single : A 46 GLN : amide:sc= 0.242 K(o=0.24,f=-2.4) USER MOD Single : A 54 MET CE :methyl -118:sc= -7.56! (180deg=-11!) USER MOD Single : A 57 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -124:sc= -5.41! (180deg=-10!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 113 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.8) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 124 LYS NZ :NH3+ 176:sc=-0.000759 (180deg=-0.0382) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -67:sc= -0.64 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.253 12.345 8.791 1.00 0.00 N ATOM 508 CA ASP A 31 8.371 11.554 9.293 1.00 0.00 C ATOM 509 C ASP A 31 8.093 10.064 9.133 1.00 0.00 C ATOM 510 O ASP A 31 8.975 9.294 8.753 1.00 0.00 O ATOM 511 CB ASP A 31 8.635 11.880 10.765 1.00 0.00 C ATOM 512 CG ASP A 31 9.644 12.998 10.937 1.00 0.00 C ATOM 513 OD1 ASP A 31 10.816 12.805 10.550 1.00 0.00 O ATOM 514 OD2 ASP A 31 9.262 14.067 11.459 1.00 0.00 O ATOM 0 HA ASP A 31 9.256 11.807 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.698 12.163 11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.997 10.986 11.273 1.00 0.00 H new ATOM 519 N TYR A 32 6.858 9.666 9.420 1.00 0.00 N ATOM 520 CA TYR A 32 6.458 8.269 9.305 1.00 0.00 C ATOM 521 C TYR A 32 5.591 8.066 8.069 1.00 0.00 C ATOM 522 O TYR A 32 5.093 9.029 7.487 1.00 0.00 O ATOM 523 CB TYR A 32 5.692 7.828 10.553 1.00 0.00 C ATOM 524 CG TYR A 32 6.586 7.415 11.699 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.503 6.383 11.552 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.511 8.059 12.928 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.321 6.001 12.600 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.326 7.684 13.980 1.00 0.00 C ATOM 529 CZ TYR A 32 8.228 6.655 13.811 1.00 0.00 C ATOM 530 OH TYR A 32 9.040 6.278 14.856 1.00 0.00 O ATOM 0 H TYR A 32 6.117 10.292 9.734 1.00 0.00 H new ATOM 0 HA TYR A 32 7.358 7.662 9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.049 8.644 10.881 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.040 6.994 10.293 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.579 5.870 10.604 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.805 8.865 13.064 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.028 5.195 12.471 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.256 8.194 14.929 1.00 0.00 H new ATOM 0 HH TYR A 32 9.297 5.339 14.748 1.00 0.00 H new ATOM 540 N GLY A 33 5.416 6.811 7.668 1.00 0.00 N ATOM 541 CA GLY A 33 4.611 6.526 6.497 1.00 0.00 C ATOM 542 C GLY A 33 3.993 5.143 6.520 1.00 0.00 C ATOM 543 O GLY A 33 4.675 4.152 6.777 1.00 0.00 O ATOM 0 H GLY A 33 5.814 5.993 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.818 7.270 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.230 6.626 5.605 1.00 0.00 H new ATOM 547 N LEU A 34 2.697 5.077 6.232 1.00 0.00 N ATOM 548 CA LEU A 34 1.984 3.807 6.200 1.00 0.00 C ATOM 549 C LEU A 34 2.019 3.234 4.790 1.00 0.00 C ATOM 550 O LEU A 34 1.473 3.823 3.858 1.00 0.00 O ATOM 551 CB LEU A 34 0.535 3.991 6.657 1.00 0.00 C ATOM 552 CG LEU A 34 -0.190 2.712 7.089 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.682 1.944 5.873 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.714 1.836 7.947 1.00 0.00 C ATOM 0 H LEU A 34 2.119 5.890 6.017 1.00 0.00 H new ATOM 0 HA LEU A 34 2.474 3.113 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.522 4.694 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.028 4.450 5.844 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.053 2.997 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.195 1.038 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.372 2.567 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.167 1.675 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.176 0.935 8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.601 1.559 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.014 2.386 8.839 1.00 0.00 H new ATOM 566 N VAL A 35 2.683 2.096 4.635 1.00 0.00 N ATOM 567 CA VAL A 35 2.806 1.466 3.328 1.00 0.00 C ATOM 568 C VAL A 35 1.871 0.275 3.176 1.00 0.00 C ATOM 569 O VAL A 35 1.627 -0.471 4.125 1.00 0.00 O ATOM 570 CB VAL A 35 4.248 0.992 3.069 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.735 0.117 4.213 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.339 0.243 1.748 1.00 0.00 C ATOM 0 H VAL A 35 3.142 1.593 5.394 1.00 0.00 H new ATOM 0 HA VAL A 35 2.531 2.228 2.599 1.00 0.00 H new ATOM 0 HB VAL A 35 4.891 1.870 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.756 -0.209 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.711 0.686 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.087 -0.755 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.366 -0.083 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.683 -0.627 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.034 0.901 0.935 1.00 0.00 H new ATOM 582 N ALA A 36 1.377 0.093 1.959 1.00 0.00 N ATOM 583 CA ALA A 36 0.497 -1.018 1.646 1.00 0.00 C ATOM 584 C ALA A 36 1.306 -2.154 1.034 1.00 0.00 C ATOM 585 O ALA A 36 1.839 -2.017 -0.067 1.00 0.00 O ATOM 586 CB ALA A 36 -0.603 -0.570 0.695 1.00 0.00 C ATOM 0 H ALA A 36 1.574 0.707 1.169 1.00 0.00 H new ATOM 0 HA ALA A 36 0.028 -1.373 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.255 -1.414 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.186 0.224 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.157 -0.199 -0.228 1.00 0.00 H new ATOM 592 N LEU A 37 1.412 -3.261 1.760 1.00 0.00 N ATOM 593 CA LEU A 37 2.176 -4.416 1.295 1.00 0.00 C ATOM 594 C LEU A 37 1.352 -5.308 0.368 1.00 0.00 C ATOM 595 O LEU A 37 1.789 -6.398 -0.001 1.00 0.00 O ATOM 596 CB LEU A 37 2.672 -5.232 2.490 1.00 0.00 C ATOM 597 CG LEU A 37 3.201 -4.404 3.664 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.220 -5.235 4.937 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.590 -3.868 3.352 1.00 0.00 C ATOM 0 H LEU A 37 0.978 -3.385 2.675 1.00 0.00 H new ATOM 0 HA LEU A 37 3.027 -4.039 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.855 -5.860 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.463 -5.901 2.151 1.00 0.00 H new ATOM 0 HG LEU A 37 2.533 -3.557 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.599 -4.630 5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.209 -5.570 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.866 -6.102 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.952 -3.282 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.269 -4.701 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.546 -3.237 2.464 1.00 0.00 H new ATOM 611 N GLU A 38 0.164 -4.848 -0.011 1.00 0.00 N ATOM 612 CA GLU A 38 -0.700 -5.619 -0.896 1.00 0.00 C ATOM 613 C GLU A 38 -1.597 -4.696 -1.720 1.00 0.00 C ATOM 614 O GLU A 38 -2.007 -3.635 -1.249 1.00 0.00 O ATOM 615 CB GLU A 38 -1.554 -6.599 -0.087 1.00 0.00 C ATOM 616 CG GLU A 38 -1.321 -8.056 -0.455 1.00 0.00 C ATOM 617 CD GLU A 38 -2.595 -8.763 -0.875 1.00 0.00 C ATOM 618 OE1 GLU A 38 -3.390 -9.133 0.013 1.00 0.00 O ATOM 619 OE2 GLU A 38 -2.798 -8.944 -2.095 1.00 0.00 O ATOM 0 H GLU A 38 -0.221 -3.949 0.280 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.067 -6.184 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.343 -6.462 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.607 -6.359 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.595 -8.110 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.885 -8.577 0.398 1.00 0.00 H new ATOM 626 N PRO A 39 -1.910 -5.089 -2.967 1.00 0.00 N ATOM 627 CA PRO A 39 -2.758 -4.289 -3.856 1.00 0.00 C ATOM 628 C PRO A 39 -4.219 -4.288 -3.421 1.00 0.00 C ATOM 629 O PRO A 39 -4.828 -5.345 -3.254 1.00 0.00 O ATOM 630 CB PRO A 39 -2.603 -4.982 -5.210 1.00 0.00 C ATOM 631 CG PRO A 39 -2.271 -6.394 -4.875 1.00 0.00 C ATOM 632 CD PRO A 39 -1.461 -6.340 -3.608 1.00 0.00 C ATOM 0 HA PRO A 39 -2.465 -3.239 -3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.521 -4.919 -5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.814 -4.520 -5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.176 -6.985 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.706 -6.863 -5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.649 -7.206 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.391 -6.323 -3.816 1.00 0.00 H new ATOM 640 N ALA A 40 -4.778 -3.096 -3.239 1.00 0.00 N ATOM 641 CA ALA A 40 -6.169 -2.962 -2.823 1.00 0.00 C ATOM 642 C ALA A 40 -6.760 -1.635 -3.286 1.00 0.00 C ATOM 643 O ALA A 40 -6.049 -0.768 -3.794 1.00 0.00 O ATOM 644 CB ALA A 40 -6.283 -3.096 -1.312 1.00 0.00 C ATOM 0 H ALA A 40 -4.290 -2.210 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.740 -3.763 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.327 -2.994 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.912 -4.074 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.692 -2.316 -0.832 1.00 0.00 H new ATOM 650 N TRP A 41 -8.068 -1.484 -3.102 1.00 0.00 N ATOM 651 CA TRP A 41 -8.763 -0.264 -3.495 1.00 0.00 C ATOM 652 C TRP A 41 -9.202 0.527 -2.267 1.00 0.00 C ATOM 653 O TRP A 41 -10.118 0.123 -1.551 1.00 0.00 O ATOM 654 CB TRP A 41 -9.977 -0.604 -4.360 1.00 0.00 C ATOM 655 CG TRP A 41 -9.622 -1.334 -5.620 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.592 -1.050 -6.469 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.297 -2.470 -6.173 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.584 -1.939 -7.516 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.621 -2.821 -7.357 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.406 -3.224 -5.781 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.019 -3.894 -8.151 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.800 -4.289 -6.571 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.108 -4.614 -7.744 1.00 0.00 C ATOM 0 H TRP A 41 -8.669 -2.193 -2.682 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.074 0.351 -4.074 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.670 -1.213 -3.779 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.500 0.317 -4.617 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.886 -0.244 -6.337 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.915 -1.942 -8.286 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.946 -2.980 -4.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.487 -4.148 -9.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.656 -4.880 -6.278 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.441 -5.451 -8.340 1.00 0.00 H new ATOM 674 N ILE A 42 -8.539 1.652 -2.025 1.00 0.00 N ATOM 675 CA ILE A 42 -8.858 2.496 -0.879 1.00 0.00 C ATOM 676 C ILE A 42 -10.022 3.432 -1.186 1.00 0.00 C ATOM 677 O ILE A 42 -9.927 4.293 -2.061 1.00 0.00 O ATOM 678 CB ILE A 42 -7.641 3.337 -0.443 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.383 2.470 -0.394 1.00 0.00 C ATOM 680 CG2 ILE A 42 -7.901 3.976 0.912 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.454 1.368 0.640 1.00 0.00 C ATOM 0 H ILE A 42 -7.777 2.001 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.140 1.826 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.484 4.129 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.217 2.027 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.522 3.103 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.034 4.567 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.776 4.623 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.080 3.197 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.529 0.791 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.589 1.805 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.295 0.712 0.416 1.00 0.00 H new ATOM 693 N THR A 43 -11.122 3.257 -0.458 1.00 0.00 N ATOM 694 CA THR A 43 -12.307 4.084 -0.649 1.00 0.00 C ATOM 695 C THR A 43 -12.145 5.440 0.026 1.00 0.00 C ATOM 696 O THR A 43 -11.199 5.662 0.782 1.00 0.00 O ATOM 697 CB THR A 43 -13.542 3.376 -0.091 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.193 2.548 1.004 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.248 2.512 -1.112 1.00 0.00 C ATOM 0 H THR A 43 -11.216 2.549 0.270 1.00 0.00 H new ATOM 0 HA THR A 43 -12.434 4.244 -1.720 1.00 0.00 H new ATOM 0 HB THR A 43 -14.218 4.174 0.216 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.997 2.105 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.115 2.039 -0.651 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.574 3.130 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.565 1.744 -1.473 1.00 0.00 H new ATOM 707 N ALA A 44 -13.078 6.345 -0.252 1.00 0.00 N ATOM 708 CA ALA A 44 -13.045 7.679 0.330 1.00 0.00 C ATOM 709 C ALA A 44 -13.067 7.608 1.851 1.00 0.00 C ATOM 710 O ALA A 44 -12.335 8.330 2.528 1.00 0.00 O ATOM 711 CB ALA A 44 -14.215 8.507 -0.180 1.00 0.00 C ATOM 0 H ALA A 44 -13.866 6.177 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.116 8.161 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.177 9.502 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.156 8.591 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.151 8.022 0.096 1.00 0.00 H new ATOM 717 N GLN A 45 -13.915 6.733 2.386 1.00 0.00 N ATOM 718 CA GLN A 45 -14.046 6.557 3.801 1.00 0.00 C ATOM 719 C GLN A 45 -12.725 6.169 4.451 1.00 0.00 C ATOM 720 O GLN A 45 -12.402 6.635 5.533 1.00 0.00 O ATOM 721 CB GLN A 45 -15.086 5.481 4.033 1.00 0.00 C ATOM 722 CG GLN A 45 -16.306 5.982 4.760 1.00 0.00 C ATOM 723 CD GLN A 45 -16.437 5.414 6.159 1.00 0.00 C ATOM 724 OE1 GLN A 45 -15.496 4.831 6.697 1.00 0.00 O ATOM 725 NE2 GLN A 45 -17.611 5.582 6.758 1.00 0.00 N ATOM 0 H GLN A 45 -14.526 6.131 1.834 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.351 7.499 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.389 5.064 3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.638 4.669 4.605 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.266 7.070 4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.196 5.725 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -18.364 6.072 6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.759 5.221 7.701 1.00 0.00 H new ATOM 734 N GLN A 46 -11.962 5.312 3.791 1.00 0.00 N ATOM 735 CA GLN A 46 -10.688 4.870 4.333 1.00 0.00 C ATOM 736 C GLN A 46 -9.758 6.055 4.572 1.00 0.00 C ATOM 737 O GLN A 46 -8.981 6.063 5.526 1.00 0.00 O ATOM 738 CB GLN A 46 -10.037 3.872 3.380 1.00 0.00 C ATOM 739 CG GLN A 46 -10.891 2.644 3.106 1.00 0.00 C ATOM 740 CD GLN A 46 -10.689 1.552 4.138 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.338 1.825 5.286 1.00 0.00 O ATOM 742 NE2 GLN A 46 -10.912 0.307 3.734 1.00 0.00 N ATOM 0 H GLN A 46 -12.201 4.911 2.884 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.870 4.383 5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.821 4.372 2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.082 3.554 3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.942 2.933 3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.652 2.253 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.202 0.127 2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.794 -0.469 4.385 1.00 0.00 H new ATOM 751 N ILE A 47 -9.845 7.055 3.703 1.00 0.00 N ATOM 752 CA ILE A 47 -9.010 8.243 3.825 1.00 0.00 C ATOM 753 C ILE A 47 -9.439 9.112 5.007 1.00 0.00 C ATOM 754 O ILE A 47 -8.611 9.515 5.822 1.00 0.00 O ATOM 755 CB ILE A 47 -9.048 9.088 2.536 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.749 8.212 1.317 1.00 0.00 C ATOM 757 CG2 ILE A 47 -8.055 10.240 2.624 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.256 8.794 0.014 1.00 0.00 C ATOM 0 H ILE A 47 -10.484 7.067 2.908 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.992 7.894 3.995 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.048 9.506 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.672 8.061 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.199 7.230 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.095 10.826 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.310 10.876 3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.049 9.843 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.009 8.120 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.338 8.919 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.787 9.763 -0.159 1.00 0.00 H new ATOM 770 N GLU A 48 -10.734 9.404 5.091 1.00 0.00 N ATOM 771 CA GLU A 48 -11.262 10.235 6.172 1.00 0.00 C ATOM 772 C GLU A 48 -11.518 9.415 7.435 1.00 0.00 C ATOM 773 O GLU A 48 -11.146 9.823 8.535 1.00 0.00 O ATOM 774 CB GLU A 48 -12.555 10.920 5.726 1.00 0.00 C ATOM 775 CG GLU A 48 -12.800 12.256 6.408 1.00 0.00 C ATOM 776 CD GLU A 48 -11.674 13.244 6.173 1.00 0.00 C ATOM 777 OE1 GLU A 48 -10.662 13.174 6.901 1.00 0.00 O ATOM 778 OE2 GLU A 48 -11.805 14.088 5.262 1.00 0.00 O ATOM 0 H GLU A 48 -11.436 9.079 4.426 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.513 10.991 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.523 11.072 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.396 10.258 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.734 12.681 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.921 12.096 7.479 1.00 0.00 H new ATOM 785 N ALA A 49 -12.159 8.264 7.270 1.00 0.00 N ATOM 786 CA ALA A 49 -12.473 7.386 8.396 1.00 0.00 C ATOM 787 C ALA A 49 -11.219 7.042 9.193 1.00 0.00 C ATOM 788 O ALA A 49 -11.211 7.122 10.421 1.00 0.00 O ATOM 789 CB ALA A 49 -13.157 6.114 7.906 1.00 0.00 C ATOM 0 H ALA A 49 -12.473 7.914 6.365 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.157 7.919 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.384 5.472 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.082 6.374 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.495 5.586 7.219 1.00 0.00 H new ATOM 795 N ALA A 50 -10.160 6.659 8.487 1.00 0.00 N ATOM 796 CA ALA A 50 -8.902 6.305 9.132 1.00 0.00 C ATOM 797 C ALA A 50 -8.272 7.519 9.806 1.00 0.00 C ATOM 798 O ALA A 50 -7.786 7.432 10.933 1.00 0.00 O ATOM 799 CB ALA A 50 -7.940 5.703 8.119 1.00 0.00 C ATOM 0 H ALA A 50 -10.148 6.586 7.470 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.113 5.562 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.005 5.443 8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.382 4.806 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.743 6.428 7.329 1.00 0.00 H new ATOM 805 N ARG A 51 -8.289 8.652 9.111 1.00 0.00 N ATOM 806 CA ARG A 51 -7.722 9.884 9.648 1.00 0.00 C ATOM 807 C ARG A 51 -8.416 10.275 10.948 1.00 0.00 C ATOM 808 O ARG A 51 -7.767 10.684 11.909 1.00 0.00 O ATOM 809 CB ARG A 51 -7.847 11.017 8.629 1.00 0.00 C ATOM 810 CG ARG A 51 -6.679 11.989 8.654 1.00 0.00 C ATOM 811 CD ARG A 51 -6.671 12.884 7.427 1.00 0.00 C ATOM 812 NE ARG A 51 -7.603 14.001 7.558 1.00 0.00 N ATOM 813 CZ ARG A 51 -7.879 14.855 6.575 1.00 0.00 C ATOM 814 NH1 ARG A 51 -7.299 14.722 5.388 1.00 0.00 N ATOM 815 NH2 ARG A 51 -8.737 15.846 6.777 1.00 0.00 N ATOM 0 H ARG A 51 -8.688 8.743 8.177 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.666 9.710 9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.931 10.589 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.770 11.565 8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.735 12.603 9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.743 11.433 8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.664 13.269 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.932 12.296 6.547 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.070 14.134 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.638 13.962 5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.514 15.379 4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.186 15.954 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.948 16.500 6.023 1.00 0.00 H new ATOM 829 N VAL A 52 -9.737 10.139 10.970 1.00 0.00 N ATOM 830 CA VAL A 52 -10.520 10.473 12.154 1.00 0.00 C ATOM 831 C VAL A 52 -10.053 9.661 13.358 1.00 0.00 C ATOM 832 O VAL A 52 -10.023 10.161 14.484 1.00 0.00 O ATOM 833 CB VAL A 52 -12.022 10.213 11.923 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.838 10.627 13.140 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.504 10.939 10.675 1.00 0.00 C ATOM 0 H VAL A 52 -10.288 9.800 10.182 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.370 11.535 12.351 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.164 9.143 11.772 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.894 10.434 12.953 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.513 10.054 14.008 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.692 11.690 13.332 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.566 10.744 10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.345 12.011 10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.946 10.583 9.809 1.00 0.00 H new ATOM 845 N ALA A 53 -9.686 8.409 13.111 1.00 0.00 N ATOM 846 CA ALA A 53 -9.217 7.527 14.170 1.00 0.00 C ATOM 847 C ALA A 53 -7.771 7.837 14.540 1.00 0.00 C ATOM 848 O ALA A 53 -7.393 7.789 15.711 1.00 0.00 O ATOM 849 CB ALA A 53 -9.355 6.075 13.740 1.00 0.00 C ATOM 0 H ALA A 53 -9.705 7.982 12.185 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.833 7.695 15.053 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.001 5.424 14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.402 5.856 13.530 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.761 5.903 12.842 1.00 0.00 H new ATOM 855 N MET A 54 -6.965 8.154 13.533 1.00 0.00 N ATOM 856 CA MET A 54 -5.559 8.472 13.745 1.00 0.00 C ATOM 857 C MET A 54 -5.394 9.825 14.432 1.00 0.00 C ATOM 858 O MET A 54 -4.670 9.946 15.420 1.00 0.00 O ATOM 859 CB MET A 54 -4.811 8.469 12.411 1.00 0.00 C ATOM 860 CG MET A 54 -4.722 7.094 11.770 1.00 0.00 C ATOM 861 SD MET A 54 -3.469 7.011 10.476 1.00 0.00 S ATOM 862 CE MET A 54 -4.379 7.679 9.085 1.00 0.00 C ATOM 0 H MET A 54 -7.263 8.197 12.559 1.00 0.00 H new ATOM 0 HA MET A 54 -5.137 7.707 14.397 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.310 9.151 11.722 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.803 8.854 12.567 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.496 6.354 12.537 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.692 6.830 11.349 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.456 6.923 8.304 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.378 7.969 9.409 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.857 8.552 8.694 1.00 0.00 H new ATOM 872 N VAL A 55 -6.068 10.841 13.901 1.00 0.00 N ATOM 873 CA VAL A 55 -5.993 12.187 14.461 1.00 0.00 C ATOM 874 C VAL A 55 -6.402 12.198 15.931 1.00 0.00 C ATOM 875 O VAL A 55 -5.788 12.882 16.750 1.00 0.00 O ATOM 876 CB VAL A 55 -6.889 13.170 13.681 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.722 14.586 14.213 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.578 13.113 12.193 1.00 0.00 C ATOM 0 H VAL A 55 -6.672 10.758 13.084 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.954 12.507 14.376 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.928 12.873 13.823 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.363 15.264 13.649 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.001 14.614 15.266 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.682 14.895 14.105 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.221 13.814 11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.534 13.381 12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.756 12.103 11.822 1.00 0.00 H new ATOM 888 N ARG A 56 -7.443 11.439 16.258 1.00 0.00 N ATOM 889 CA ARG A 56 -7.932 11.365 17.630 1.00 0.00 C ATOM 890 C ARG A 56 -6.956 10.600 18.516 1.00 0.00 C ATOM 891 O ARG A 56 -6.862 10.854 19.718 1.00 0.00 O ATOM 892 CB ARG A 56 -9.305 10.694 17.665 1.00 0.00 C ATOM 893 CG ARG A 56 -10.457 11.658 17.437 1.00 0.00 C ATOM 894 CD ARG A 56 -11.563 11.027 16.606 1.00 0.00 C ATOM 895 NE ARG A 56 -12.830 10.975 17.332 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.123 10.050 18.245 1.00 0.00 C ATOM 897 NH1 ARG A 56 -12.245 9.103 18.547 1.00 0.00 N ATOM 898 NH2 ARG A 56 -14.300 10.074 18.856 1.00 0.00 N ATOM 0 H ARG A 56 -7.964 10.867 15.593 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.020 12.381 18.014 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.339 9.914 16.905 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.437 10.205 18.630 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.861 11.976 18.398 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.089 12.552 16.934 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.695 11.596 15.686 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.269 10.018 16.317 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.530 11.688 17.128 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.339 9.080 18.079 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.476 8.398 19.247 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.979 10.800 18.627 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.526 9.367 19.555 1.00 0.00 H new ATOM 912 N HIS A 57 -6.231 9.661 17.917 1.00 0.00 N ATOM 913 CA HIS A 57 -5.263 8.856 18.652 1.00 0.00 C ATOM 914 C HIS A 57 -4.196 9.736 19.298 1.00 0.00 C ATOM 915 O HIS A 57 -3.957 9.653 20.503 1.00 0.00 O ATOM 916 CB HIS A 57 -4.603 7.837 17.721 1.00 0.00 C ATOM 917 CG HIS A 57 -3.887 6.741 18.447 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.535 5.797 19.215 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.568 6.441 18.520 1.00 0.00 C ATOM 920 CE1 HIS A 57 -3.647 4.964 19.729 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.447 5.334 19.323 1.00 0.00 N ATOM 0 H HIS A 57 -6.296 9.439 16.924 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.797 8.326 19.441 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.365 7.398 17.077 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.896 8.354 17.072 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.543 5.749 19.363 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.762 6.973 18.037 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.866 4.124 20.372 1.00 0.00 H new ATOM 930 N PHE A 58 -3.554 10.577 18.491 1.00 0.00 N ATOM 931 CA PHE A 58 -2.511 11.468 18.990 1.00 0.00 C ATOM 932 C PHE A 58 -3.054 12.379 20.087 1.00 0.00 C ATOM 933 O PHE A 58 -3.578 13.458 19.810 1.00 0.00 O ATOM 934 CB PHE A 58 -1.936 12.317 17.851 1.00 0.00 C ATOM 935 CG PHE A 58 -1.728 11.557 16.571 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.671 10.671 16.437 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.594 11.729 15.503 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.481 9.971 15.260 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.408 11.032 14.324 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.351 10.153 14.202 1.00 0.00 C ATOM 0 H PHE A 58 -3.737 10.660 17.491 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.716 10.850 19.408 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.607 13.154 17.660 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.983 12.739 18.171 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.012 10.526 17.261 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.423 12.415 15.593 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.346 9.283 15.168 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.090 11.175 13.499 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.204 9.608 13.281 1.00 0.00 H new ATOM 950 N ARG A 59 -2.927 11.936 21.334 1.00 0.00 N ATOM 951 CA ARG A 59 -3.406 12.710 22.473 1.00 0.00 C ATOM 952 C ARG A 59 -2.727 14.076 22.531 1.00 0.00 C ATOM 953 O ARG A 59 -3.315 15.052 22.998 1.00 0.00 O ATOM 954 CB ARG A 59 -3.155 11.950 23.776 1.00 0.00 C ATOM 955 CG ARG A 59 -4.028 10.716 23.938 1.00 0.00 C ATOM 956 CD ARG A 59 -3.599 9.885 25.135 1.00 0.00 C ATOM 957 NE ARG A 59 -2.421 9.071 24.842 1.00 0.00 N ATOM 958 CZ ARG A 59 -2.457 7.937 24.147 1.00 0.00 C ATOM 959 NH1 ARG A 59 -3.609 7.480 23.670 1.00 0.00 N ATOM 960 NH2 ARG A 59 -1.340 7.259 23.925 1.00 0.00 N ATOM 0 H ARG A 59 -2.496 11.045 21.581 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.478 12.862 22.348 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.107 11.652 23.817 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.329 12.621 24.617 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.068 11.018 24.057 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.974 10.109 23.034 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.384 10.544 25.976 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.421 9.237 25.440 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.518 9.391 25.191 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.471 7.999 23.836 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.631 6.610 23.138 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.452 7.606 24.287 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.368 6.390 23.392 1.00 0.00 H new ATOM 974 N ARG A 60 -1.489 14.137 22.055 1.00 0.00 N ATOM 975 CA ARG A 60 -0.732 15.384 22.054 1.00 0.00 C ATOM 976 C ARG A 60 -0.802 16.064 20.690 1.00 0.00 C ATOM 977 O ARG A 60 0.149 16.719 20.262 1.00 0.00 O ATOM 978 CB ARG A 60 0.727 15.119 22.431 1.00 0.00 C ATOM 979 CG ARG A 60 0.887 14.316 23.712 1.00 0.00 C ATOM 980 CD ARG A 60 1.960 14.907 24.611 1.00 0.00 C ATOM 981 NE ARG A 60 2.062 14.195 25.884 1.00 0.00 N ATOM 982 CZ ARG A 60 2.697 13.036 26.036 1.00 0.00 C ATOM 983 NH1 ARG A 60 3.289 12.454 24.999 1.00 0.00 N ATOM 984 NH2 ARG A 60 2.744 12.457 27.228 1.00 0.00 N ATOM 0 H ARG A 60 -0.988 13.339 21.665 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.177 16.050 22.794 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.214 14.586 21.614 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.244 16.072 22.542 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.063 14.289 24.247 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.144 13.285 23.467 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.921 14.873 24.099 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.737 15.957 24.800 1.00 0.00 H new ATOM 0 HE ARG A 60 1.620 14.611 26.704 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.258 12.896 24.080 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.774 11.565 25.122 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.293 12.900 28.028 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.231 11.568 27.344 1.00 0.00 H new ATOM 998 N GLY A 61 -1.933 15.906 20.013 1.00 0.00 N ATOM 999 CA GLY A 61 -2.107 16.512 18.706 1.00 0.00 C ATOM 1000 C GLY A 61 -1.284 15.824 17.635 1.00 0.00 C ATOM 1001 O GLY A 61 -0.350 15.083 17.940 1.00 0.00 O ATOM 0 H GLY A 61 -2.734 15.369 20.346 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.161 16.476 18.429 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.826 17.564 18.756 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.630 16.070 16.375 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.906 15.463 15.275 1.00 0.00 C ATOM 1007 C GLY A 62 -1.600 15.662 13.942 1.00 0.00 C ATOM 1008 O GLY A 62 -2.821 15.811 13.886 1.00 0.00 O ATOM 0 H GLY A 62 -2.399 16.679 16.097 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.097 15.888 15.226 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.791 14.396 15.465 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.819 15.665 12.866 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.367 15.846 11.527 1.00 0.00 C ATOM 1014 C LYS A 63 -0.920 14.720 10.599 1.00 0.00 C ATOM 1015 O LYS A 63 0.196 14.213 10.714 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.932 17.197 10.954 1.00 0.00 C ATOM 1017 CG LYS A 63 0.575 17.363 10.858 1.00 0.00 C ATOM 1018 CD LYS A 63 0.955 18.776 10.445 1.00 0.00 C ATOM 1019 CE LYS A 63 2.425 19.058 10.704 1.00 0.00 C ATOM 1020 NZ LYS A 63 2.645 20.442 11.207 1.00 0.00 N ATOM 0 H LYS A 63 0.193 15.544 12.895 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.454 15.822 11.600 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.366 17.317 9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.337 17.994 11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.030 17.130 11.821 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.975 16.652 10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.738 18.917 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.344 19.493 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.809 18.342 11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.990 18.912 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.661 20.594 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.302 21.126 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.127 20.574 12.099 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.801 14.331 9.682 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.498 13.263 8.737 1.00 0.00 C ATOM 1036 C ILE A 64 -1.538 13.769 7.300 1.00 0.00 C ATOM 1037 O ILE A 64 -2.355 14.622 6.953 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.481 12.082 8.870 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.852 11.847 10.335 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.879 10.824 8.264 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.832 10.711 10.533 1.00 0.00 C ATOM 0 H ILE A 64 -2.729 14.739 9.574 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.492 12.918 8.978 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.392 12.330 8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.945 11.638 10.902 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.280 12.762 10.745 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.584 9.998 8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.668 10.994 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.953 10.577 8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.051 10.600 11.595 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.754 10.928 9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.398 9.786 10.153 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.656 13.229 6.467 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.593 13.616 5.064 1.00 0.00 C ATOM 1055 C PHE A 65 -1.028 12.457 4.175 1.00 0.00 C ATOM 1056 O PHE A 65 -0.330 11.450 4.062 1.00 0.00 O ATOM 1057 CB PHE A 65 0.825 14.058 4.696 1.00 0.00 C ATOM 1058 CG PHE A 65 1.320 15.223 5.506 1.00 0.00 C ATOM 1059 CD1 PHE A 65 1.674 15.059 6.836 1.00 0.00 C ATOM 1060 CD2 PHE A 65 1.432 16.482 4.938 1.00 0.00 C ATOM 1061 CE1 PHE A 65 2.130 16.128 7.583 1.00 0.00 C ATOM 1062 CE2 PHE A 65 1.886 17.555 5.680 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.236 17.378 7.005 1.00 0.00 C ATOM 0 H PHE A 65 0.026 12.521 6.740 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.272 14.454 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.505 13.217 4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.851 14.323 3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.592 14.084 7.294 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.161 16.626 3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.403 15.986 8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.967 18.531 5.225 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.592 18.215 7.587 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.192 12.602 3.552 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.725 11.562 2.679 1.00 0.00 C ATOM 1075 C ILE A 66 -2.367 11.832 1.221 1.00 0.00 C ATOM 1076 O ILE A 66 -2.717 12.875 0.669 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.257 11.442 2.807 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.706 11.719 4.246 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.718 10.061 2.363 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.987 10.879 5.281 1.00 0.00 C ATOM 0 H ILE A 66 -2.784 13.428 3.635 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.270 10.623 2.996 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.715 12.188 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.545 12.773 4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.778 11.537 4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.802 9.991 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.435 9.900 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.249 9.302 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.357 11.130 6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.169 9.823 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.917 11.078 5.232 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.665 10.886 0.605 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.258 11.022 -0.787 1.00 0.00 C ATOM 1094 C ARG A 67 -2.063 10.089 -1.687 1.00 0.00 C ATOM 1095 O ARG A 67 -1.569 9.623 -2.715 1.00 0.00 O ATOM 1096 CB ARG A 67 0.237 10.728 -0.932 1.00 0.00 C ATOM 1097 CG ARG A 67 0.962 11.694 -1.856 1.00 0.00 C ATOM 1098 CD ARG A 67 2.050 10.993 -2.654 1.00 0.00 C ATOM 1099 NE ARG A 67 3.267 11.796 -2.745 1.00 0.00 N ATOM 1100 CZ ARG A 67 4.184 11.865 -1.782 1.00 0.00 C ATOM 1101 NH1 ARG A 67 4.025 11.186 -0.653 1.00 0.00 N ATOM 1102 NH2 ARG A 67 5.265 12.617 -1.949 1.00 0.00 N ATOM 0 H ARG A 67 -1.367 10.017 1.049 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.452 12.049 -1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.702 10.762 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.364 9.713 -1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.246 12.152 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.402 12.500 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.282 10.036 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.682 10.778 -3.657 1.00 0.00 H new ATOM 0 HE ARG A 67 3.423 12.336 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.196 10.607 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.731 11.243 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.393 13.141 -2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.968 12.670 -1.212 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.305 9.820 -1.297 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.176 8.944 -2.070 1.00 0.00 C ATOM 1118 C ILE A 68 -5.546 9.581 -2.282 1.00 0.00 C ATOM 1119 O ILE A 68 -6.131 10.139 -1.354 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.357 7.576 -1.384 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.017 7.746 -0.015 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.017 6.871 -1.246 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.304 6.434 0.681 1.00 0.00 C ATOM 0 H ILE A 68 -3.730 10.197 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.694 8.793 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.008 6.961 -2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.370 8.351 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.950 8.296 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.162 5.906 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.583 6.718 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.344 7.483 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.772 6.629 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.976 5.835 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.371 5.891 0.833 1.00 0.00 H new ATOM 1135 N PHE A 69 -6.052 9.492 -3.507 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.354 10.057 -3.837 1.00 0.00 C ATOM 1137 C PHE A 69 -8.190 9.059 -4.637 1.00 0.00 C ATOM 1138 O PHE A 69 -7.674 8.374 -5.520 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.185 11.357 -4.628 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.878 12.534 -4.003 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -7.269 13.254 -2.987 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -9.138 12.920 -4.429 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -7.903 14.337 -2.410 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -9.778 14.002 -3.856 1.00 0.00 C ATOM 1145 CZ PHE A 69 -9.160 14.712 -2.844 1.00 0.00 C ATOM 0 H PHE A 69 -5.580 9.034 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.877 10.276 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.122 11.580 -4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.571 11.212 -5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.287 12.965 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.626 12.368 -5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.417 14.890 -1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.760 14.293 -4.198 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.658 15.558 -2.394 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.498 8.964 -4.340 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.399 8.042 -5.038 1.00 0.00 C ATOM 1157 C PRO A 70 -10.679 8.482 -6.472 1.00 0.00 C ATOM 1158 O PRO A 70 -11.381 9.465 -6.703 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.679 8.095 -4.203 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.651 9.435 -3.554 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.201 9.743 -3.302 1.00 0.00 C ATOM 0 HA PRO A 70 -9.973 7.043 -5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.564 7.976 -4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.702 7.296 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.104 10.190 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.216 9.429 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.996 10.810 -3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.895 9.444 -2.299 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.425 4.683 -5.490 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.321 4.155 -4.697 1.00 0.00 C ATOM 1541 C VAL A 94 -9.975 4.551 -5.294 1.00 0.00 C ATOM 1542 O VAL A 94 -9.910 5.140 -6.373 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.380 2.619 -4.589 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.337 2.191 -3.489 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.774 2.002 -5.923 1.00 0.00 C ATOM 0 HA VAL A 94 -11.422 4.587 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.385 2.257 -4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.362 1.103 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.000 2.597 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.336 2.566 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.810 0.917 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.755 2.372 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.039 2.274 -6.681 1.00 0.00 H new ATOM 1555 N ALA A 95 -8.902 4.214 -4.586 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.555 4.525 -5.043 1.00 0.00 C ATOM 1557 C ALA A 95 -6.703 3.261 -5.116 1.00 0.00 C ATOM 1558 O ALA A 95 -6.241 2.752 -4.095 1.00 0.00 O ATOM 1559 CB ALA A 95 -6.907 5.550 -4.123 1.00 0.00 C ATOM 0 H ALA A 95 -8.941 3.725 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.623 4.949 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.901 5.772 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.501 6.464 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.855 5.149 -3.111 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.504 2.756 -6.330 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.713 1.546 -6.535 1.00 0.00 C ATOM 1567 C VAL A 96 -4.299 1.708 -5.988 1.00 0.00 C ATOM 1568 O VAL A 96 -3.613 2.685 -6.290 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.634 1.165 -8.027 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.120 -0.258 -8.184 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.990 1.323 -8.697 1.00 0.00 C ATOM 0 H VAL A 96 -6.879 3.165 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.220 0.748 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.934 1.841 -8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.070 -0.512 -9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.126 -0.336 -7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.796 -0.947 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.910 1.049 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.716 0.674 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.317 2.360 -8.616 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.870 0.744 -5.178 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.538 0.775 -4.584 1.00 0.00 C ATOM 1583 C VAL A 97 -1.779 -0.519 -4.866 1.00 0.00 C ATOM 1584 O VAL A 97 -2.376 -1.536 -5.217 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.605 0.990 -3.059 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.227 1.300 -2.501 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.587 2.099 -2.714 1.00 0.00 C ATOM 0 H VAL A 97 -4.427 -0.070 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.011 1.613 -5.040 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.960 0.067 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.296 1.448 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.554 0.469 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.841 2.206 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.618 2.234 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.267 3.028 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.580 1.831 -3.075 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.459 -0.473 -4.704 1.00 0.00 N ATOM 1598 CA LYS A 98 0.384 -1.642 -4.931 1.00 0.00 C ATOM 1599 C LYS A 98 1.331 -1.859 -3.751 1.00 0.00 C ATOM 1600 O LYS A 98 1.591 -0.938 -2.979 1.00 0.00 O ATOM 1601 CB LYS A 98 1.188 -1.474 -6.223 1.00 0.00 C ATOM 1602 CG LYS A 98 0.535 -2.123 -7.433 1.00 0.00 C ATOM 1603 CD LYS A 98 1.487 -2.180 -8.616 1.00 0.00 C ATOM 1604 CE LYS A 98 0.749 -2.009 -9.934 1.00 0.00 C ATOM 1605 NZ LYS A 98 0.520 -3.313 -10.616 1.00 0.00 N ATOM 0 H LYS A 98 0.050 0.363 -4.416 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.260 -2.516 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.325 -0.411 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.180 -1.902 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.212 -3.132 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.358 -1.563 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.241 -1.399 -8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.014 -3.134 -8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.209 -1.521 -9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.323 -1.353 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.014 -3.153 -11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.435 -3.768 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.049 -3.930 -10.002 1.00 0.00 H new ATOM 1619 N PRO A 99 1.864 -3.084 -3.596 1.00 0.00 N ATOM 1620 CA PRO A 99 2.784 -3.408 -2.500 1.00 0.00 C ATOM 1621 C PRO A 99 3.962 -2.442 -2.429 1.00 0.00 C ATOM 1622 O PRO A 99 4.736 -2.319 -3.378 1.00 0.00 O ATOM 1623 CB PRO A 99 3.267 -4.820 -2.841 1.00 0.00 C ATOM 1624 CG PRO A 99 2.188 -5.395 -3.692 1.00 0.00 C ATOM 1625 CD PRO A 99 1.612 -4.244 -4.469 1.00 0.00 C ATOM 0 HA PRO A 99 2.298 -3.336 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.219 -4.795 -3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.420 -5.414 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.585 -6.158 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.423 -5.874 -3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.097 -4.130 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.547 -4.380 -4.659 1.00 0.00 H new ATOM 1633 N GLY A 100 4.086 -1.754 -1.298 1.00 0.00 N ATOM 1634 CA GLY A 100 5.167 -0.803 -1.123 1.00 0.00 C ATOM 1635 C GLY A 100 4.738 0.623 -1.416 1.00 0.00 C ATOM 1636 O GLY A 100 5.562 1.464 -1.772 1.00 0.00 O ATOM 0 H GLY A 100 3.457 -1.839 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.539 -0.864 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.994 -1.073 -1.780 1.00 0.00 H new ATOM 1640 N ARG A 101 3.443 0.894 -1.277 1.00 0.00 N ATOM 1641 CA ARG A 101 2.906 2.225 -1.543 1.00 0.00 C ATOM 1642 C ARG A 101 2.566 2.962 -0.249 1.00 0.00 C ATOM 1643 O ARG A 101 1.737 2.508 0.539 1.00 0.00 O ATOM 1644 CB ARG A 101 1.656 2.115 -2.418 1.00 0.00 C ATOM 1645 CG ARG A 101 1.927 2.327 -3.897 1.00 0.00 C ATOM 1646 CD ARG A 101 2.103 3.799 -4.216 1.00 0.00 C ATOM 1647 NE ARG A 101 1.570 4.145 -5.533 1.00 0.00 N ATOM 1648 CZ ARG A 101 2.323 4.446 -6.592 1.00 0.00 C ATOM 1649 NH1 ARG A 101 3.649 4.430 -6.508 1.00 0.00 N ATOM 1650 NH2 ARG A 101 1.745 4.758 -7.744 1.00 0.00 N ATOM 0 H ARG A 101 2.746 0.210 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 101 3.673 2.797 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.210 1.131 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.923 2.849 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.824 1.779 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.102 1.921 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.602 4.397 -3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.162 4.054 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 101 0.557 4.157 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.101 4.186 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.215 4.662 -7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.728 4.767 -7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.318 4.989 -8.556 1.00 0.00 H new ATOM 1664 N VAL A 102 3.204 4.111 -0.048 1.00 0.00 N ATOM 1665 CA VAL A 102 2.963 4.925 1.138 1.00 0.00 C ATOM 1666 C VAL A 102 1.730 5.803 0.944 1.00 0.00 C ATOM 1667 O VAL A 102 1.783 6.816 0.246 1.00 0.00 O ATOM 1668 CB VAL A 102 4.175 5.821 1.462 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.985 6.512 2.805 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.463 5.009 1.447 1.00 0.00 C ATOM 0 H VAL A 102 3.893 4.500 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 102 2.799 4.242 1.971 1.00 0.00 H new ATOM 0 HB VAL A 102 4.251 6.589 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.850 7.140 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.088 7.130 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.881 5.762 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.306 5.660 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.402 4.216 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.604 4.569 0.460 1.00 0.00 H new ATOM 1680 N MET A 103 0.621 5.402 1.554 1.00 0.00 N ATOM 1681 CA MET A 103 -0.629 6.149 1.435 1.00 0.00 C ATOM 1682 C MET A 103 -0.781 7.175 2.554 1.00 0.00 C ATOM 1683 O MET A 103 -1.388 8.228 2.362 1.00 0.00 O ATOM 1684 CB MET A 103 -1.823 5.191 1.437 1.00 0.00 C ATOM 1685 CG MET A 103 -1.728 4.100 2.490 1.00 0.00 C ATOM 1686 SD MET A 103 -1.255 2.503 1.800 1.00 0.00 S ATOM 1687 CE MET A 103 -2.184 1.394 2.855 1.00 0.00 C ATOM 0 H MET A 103 0.560 4.566 2.135 1.00 0.00 H new ATOM 0 HA MET A 103 -0.601 6.688 0.488 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.736 5.763 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.908 4.728 0.454 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.000 4.394 3.246 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.690 4.003 2.994 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.504 0.680 3.321 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.693 1.969 3.629 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.921 0.857 2.259 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.229 6.866 3.724 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.312 7.772 4.866 1.00 0.00 C ATOM 1699 C PHE A 104 1.076 8.103 5.400 1.00 0.00 C ATOM 1700 O PHE A 104 2.027 7.350 5.196 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.157 7.153 5.982 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.624 7.090 5.667 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.125 6.101 4.836 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.503 8.018 6.204 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.473 6.037 4.544 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.854 7.959 5.915 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.339 6.968 5.085 1.00 0.00 C ATOM 0 H PHE A 104 0.278 6.000 3.906 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.786 8.693 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.794 6.145 6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.015 7.731 6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.452 5.371 4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.129 8.795 6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.850 5.261 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.529 8.688 6.338 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.394 6.921 4.859 1.00 0.00 H new ATOM 1717 N GLU A 105 1.180 9.234 6.089 1.00 0.00 N ATOM 1718 CA GLU A 105 2.448 9.669 6.663 1.00 0.00 C ATOM 1719 C GLU A 105 2.219 10.759 7.703 1.00 0.00 C ATOM 1720 O GLU A 105 1.759 11.854 7.379 1.00 0.00 O ATOM 1721 CB GLU A 105 3.388 10.176 5.567 1.00 0.00 C ATOM 1722 CG GLU A 105 2.705 11.067 4.543 1.00 0.00 C ATOM 1723 CD GLU A 105 2.631 10.430 3.169 1.00 0.00 C ATOM 1724 OE1 GLU A 105 1.643 9.715 2.898 1.00 0.00 O ATOM 1725 OE2 GLU A 105 3.561 10.645 2.364 1.00 0.00 O ATOM 0 H GLU A 105 0.400 9.867 6.264 1.00 0.00 H new ATOM 0 HA GLU A 105 2.912 8.813 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.206 10.729 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.830 9.321 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.697 11.300 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.244 12.012 4.472 1.00 0.00 H new ATOM 1732 N VAL A 106 2.536 10.450 8.956 1.00 0.00 N ATOM 1733 CA VAL A 106 2.358 11.401 10.045 1.00 0.00 C ATOM 1734 C VAL A 106 3.653 12.146 10.349 1.00 0.00 C ATOM 1735 O VAL A 106 4.729 11.749 9.900 1.00 0.00 O ATOM 1736 CB VAL A 106 1.864 10.703 11.327 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.518 10.035 11.086 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.888 9.690 11.820 1.00 0.00 C ATOM 0 H VAL A 106 2.917 9.548 9.242 1.00 0.00 H new ATOM 0 HA VAL A 106 1.604 12.116 9.716 1.00 0.00 H new ATOM 0 HB VAL A 106 1.738 11.460 12.101 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.185 9.547 12.002 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.213 10.787 10.788 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.617 9.292 10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.518 9.210 12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.053 8.936 11.051 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.827 10.198 12.037 1.00 0.00 H new ATOM 1748 N ALA A 107 3.543 13.226 11.114 1.00 0.00 N ATOM 1749 CA ALA A 107 4.704 14.026 11.479 1.00 0.00 C ATOM 1750 C ALA A 107 4.422 14.867 12.720 1.00 0.00 C ATOM 1751 O ALA A 107 3.314 15.371 12.900 1.00 0.00 O ATOM 1752 CB ALA A 107 5.119 14.917 10.316 1.00 0.00 C ATOM 0 H ALA A 107 2.660 13.567 11.494 1.00 0.00 H new ATOM 0 HA ALA A 107 5.524 13.347 11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.988 15.509 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.370 14.298 9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.296 15.583 10.056 1.00 0.00 H new ATOM 1758 N GLY A 108 5.432 15.015 13.570 1.00 0.00 N ATOM 1759 CA GLY A 108 5.271 15.799 14.781 1.00 0.00 C ATOM 1760 C GLY A 108 4.941 14.945 15.990 1.00 0.00 C ATOM 1761 O GLY A 108 5.325 15.275 17.112 1.00 0.00 O ATOM 0 H GLY A 108 6.358 14.607 13.443 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.188 16.356 14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.479 16.532 14.632 1.00 0.00 H new ATOM 1765 N VAL A 109 4.225 13.848 15.765 1.00 0.00 N ATOM 1766 CA VAL A 109 3.844 12.952 16.851 1.00 0.00 C ATOM 1767 C VAL A 109 4.966 11.973 17.180 1.00 0.00 C ATOM 1768 O VAL A 109 5.925 11.833 16.421 1.00 0.00 O ATOM 1769 CB VAL A 109 2.567 12.160 16.508 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.398 13.109 16.286 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.790 11.274 15.289 1.00 0.00 C ATOM 0 H VAL A 109 3.898 13.559 14.843 1.00 0.00 H new ATOM 0 HA VAL A 109 3.649 13.579 17.721 1.00 0.00 H new ATOM 0 HB VAL A 109 2.326 11.512 17.351 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.504 12.534 16.045 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.223 13.689 17.192 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.629 13.784 15.462 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.875 10.725 15.066 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.059 11.893 14.433 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.596 10.569 15.494 1.00 0.00 H new ATOM 1781 N THR A 110 4.839 11.297 18.317 1.00 0.00 N ATOM 1782 CA THR A 110 5.841 10.330 18.750 1.00 0.00 C ATOM 1783 C THR A 110 5.757 9.051 17.925 1.00 0.00 C ATOM 1784 O THR A 110 4.897 8.916 17.054 1.00 0.00 O ATOM 1785 CB THR A 110 5.659 10.006 20.233 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.511 9.202 20.433 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.514 11.237 21.102 1.00 0.00 C ATOM 0 H THR A 110 4.051 11.401 18.956 1.00 0.00 H new ATOM 0 HA THR A 110 6.825 10.773 18.599 1.00 0.00 H new ATOM 0 HB THR A 110 6.567 9.479 20.527 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.413 9.004 21.388 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.388 10.936 22.142 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.407 11.855 21.009 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.642 11.808 20.782 1.00 0.00 H new ATOM 1795 N GLU A 111 6.655 8.113 18.206 1.00 0.00 N ATOM 1796 CA GLU A 111 6.685 6.843 17.491 1.00 0.00 C ATOM 1797 C GLU A 111 5.524 5.949 17.917 1.00 0.00 C ATOM 1798 O GLU A 111 4.885 5.305 17.085 1.00 0.00 O ATOM 1799 CB GLU A 111 8.015 6.126 17.740 1.00 0.00 C ATOM 1800 CG GLU A 111 8.115 4.770 17.058 1.00 0.00 C ATOM 1801 CD GLU A 111 9.531 4.229 17.042 1.00 0.00 C ATOM 1802 OE1 GLU A 111 9.938 3.601 18.041 1.00 0.00 O ATOM 1803 OE2 GLU A 111 10.234 4.434 16.030 1.00 0.00 O ATOM 0 H GLU A 111 7.372 8.209 18.925 1.00 0.00 H new ATOM 0 HA GLU A 111 6.585 7.052 16.426 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.830 6.760 17.391 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.151 5.994 18.813 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.465 4.061 17.570 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.751 4.854 16.034 1.00 0.00 H new ATOM 1810 N GLU A 112 5.259 5.913 19.219 1.00 0.00 N ATOM 1811 CA GLU A 112 4.177 5.096 19.754 1.00 0.00 C ATOM 1812 C GLU A 112 2.833 5.512 19.164 1.00 0.00 C ATOM 1813 O GLU A 112 2.039 4.668 18.750 1.00 0.00 O ATOM 1814 CB GLU A 112 4.133 5.207 21.280 1.00 0.00 C ATOM 1815 CG GLU A 112 4.920 4.119 21.993 1.00 0.00 C ATOM 1816 CD GLU A 112 6.420 4.293 21.845 1.00 0.00 C ATOM 1817 OE1 GLU A 112 6.972 5.227 22.464 1.00 0.00 O ATOM 1818 OE2 GLU A 112 7.041 3.496 21.112 1.00 0.00 O ATOM 0 H GLU A 112 5.778 6.439 19.922 1.00 0.00 H new ATOM 0 HA GLU A 112 4.368 4.060 19.476 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.524 6.180 21.576 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.095 5.167 21.609 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.660 4.122 23.052 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.630 3.146 21.596 1.00 0.00 H new ATOM 1825 N GLN A 113 2.586 6.817 19.127 1.00 0.00 N ATOM 1826 CA GLN A 113 1.337 7.343 18.588 1.00 0.00 C ATOM 1827 C GLN A 113 1.331 7.273 17.065 1.00 0.00 C ATOM 1828 O GLN A 113 0.306 6.979 16.450 1.00 0.00 O ATOM 1829 CB GLN A 113 1.128 8.786 19.046 1.00 0.00 C ATOM 1830 CG GLN A 113 1.102 8.948 20.557 1.00 0.00 C ATOM 1831 CD GLN A 113 0.306 10.160 21.000 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -0.438 10.103 21.979 1.00 0.00 O ATOM 1833 NE2 GLN A 113 0.459 11.264 20.279 1.00 0.00 N ATOM 0 H GLN A 113 3.234 7.530 19.464 1.00 0.00 H new ATOM 0 HA GLN A 113 0.519 6.729 18.965 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.924 9.407 18.636 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.190 9.157 18.633 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.674 8.052 21.007 1.00 0.00 H new ATOM 0 HG3 GLN A 113 2.124 9.034 20.927 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.087 11.265 19.475 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -0.051 12.111 20.529 1.00 0.00 H new ATOM 1842 N ALA A 114 2.483 7.548 16.463 1.00 0.00 N ATOM 1843 CA ALA A 114 2.615 7.520 15.013 1.00 0.00 C ATOM 1844 C ALA A 114 2.467 6.101 14.474 1.00 0.00 C ATOM 1845 O ALA A 114 1.727 5.864 13.519 1.00 0.00 O ATOM 1846 CB ALA A 114 3.953 8.109 14.599 1.00 0.00 C ATOM 0 H ALA A 114 3.340 7.793 16.959 1.00 0.00 H new ATOM 0 HA ALA A 114 1.815 8.125 14.586 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.041 8.083 13.513 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.019 9.141 14.944 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.760 7.526 15.043 1.00 0.00 H new ATOM 1852 N MET A 115 3.175 5.161 15.091 1.00 0.00 N ATOM 1853 CA MET A 115 3.120 3.765 14.673 1.00 0.00 C ATOM 1854 C MET A 115 1.723 3.190 14.880 1.00 0.00 C ATOM 1855 O MET A 115 1.172 2.537 13.992 1.00 0.00 O ATOM 1856 CB MET A 115 4.145 2.936 15.448 1.00 0.00 C ATOM 1857 CG MET A 115 5.587 3.298 15.126 1.00 0.00 C ATOM 1858 SD MET A 115 6.455 1.989 14.239 1.00 0.00 S ATOM 1859 CE MET A 115 7.693 2.939 13.360 1.00 0.00 C ATOM 0 H MET A 115 3.793 5.340 15.882 1.00 0.00 H new ATOM 0 HA MET A 115 3.358 3.721 13.610 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.975 3.069 16.516 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.986 1.880 15.229 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.603 4.209 14.527 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.118 3.516 16.053 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.447 2.265 12.953 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.220 3.489 12.546 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.167 3.642 14.045 1.00 0.00 H new ATOM 1869 N GLU A 116 1.153 3.438 16.054 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.181 2.944 16.373 1.00 0.00 C ATOM 1871 C GLU A 116 -1.221 3.555 15.441 1.00 0.00 C ATOM 1872 O GLU A 116 -2.050 2.846 14.872 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.534 3.266 17.827 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.530 2.295 18.439 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.234 1.998 19.896 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.051 2.076 20.289 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.185 1.687 20.643 1.00 0.00 O ATOM 0 H GLU A 116 1.593 3.977 16.799 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.183 1.863 16.237 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.378 3.262 18.423 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.944 4.275 17.878 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.535 2.709 18.353 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.519 1.364 17.873 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.168 4.875 15.286 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.105 5.578 14.419 1.00 0.00 C ATOM 1886 C ALA A 117 -2.032 5.044 12.993 1.00 0.00 C ATOM 1887 O ALA A 117 -3.054 4.730 12.383 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.824 7.073 14.439 1.00 0.00 C ATOM 0 H ALA A 117 -0.487 5.477 15.749 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.113 5.405 14.796 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.532 7.585 13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.930 7.450 15.456 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.809 7.257 14.088 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.816 4.932 12.471 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.613 4.424 11.120 1.00 0.00 C ATOM 1896 C LEU A 118 -1.153 3.003 10.999 1.00 0.00 C ATOM 1897 O LEU A 118 -1.614 2.590 9.935 1.00 0.00 O ATOM 1898 CB LEU A 118 0.876 4.455 10.758 1.00 0.00 C ATOM 1899 CG LEU A 118 1.365 5.722 10.042 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.483 6.921 10.364 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.810 6.013 10.417 1.00 0.00 C ATOM 0 H LEU A 118 0.042 5.185 12.961 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.157 5.064 10.425 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.455 4.331 11.673 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.094 3.596 10.124 1.00 0.00 H new ATOM 0 HG LEU A 118 1.304 5.544 8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.859 7.800 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.539 6.717 10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.497 7.105 11.438 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.145 6.914 9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.883 6.162 11.494 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.439 5.172 10.123 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.099 2.263 12.102 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.590 0.891 12.128 1.00 0.00 C ATOM 1915 C ARG A 119 -3.115 0.870 12.098 1.00 0.00 C ATOM 1916 O ARG A 119 -3.722 0.045 11.415 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.077 0.166 13.374 1.00 0.00 C ATOM 1918 CG ARG A 119 0.086 -0.773 13.097 1.00 0.00 C ATOM 1919 CD ARG A 119 1.049 -0.828 14.273 1.00 0.00 C ATOM 1920 NE ARG A 119 0.429 -1.406 15.463 1.00 0.00 N ATOM 1921 CZ ARG A 119 0.910 -1.258 16.694 1.00 0.00 C ATOM 1922 NH1 ARG A 119 2.014 -0.552 16.903 1.00 0.00 N ATOM 1923 NH2 ARG A 119 0.285 -1.817 17.722 1.00 0.00 N ATOM 0 H ARG A 119 -0.720 2.592 12.990 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.217 0.374 11.244 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.768 0.905 14.113 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.895 -0.403 13.816 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.294 -1.773 12.889 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.618 -0.442 12.205 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.924 -1.417 13.998 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.401 0.178 14.500 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.422 -1.955 15.343 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.499 -0.119 16.117 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.378 -0.442 17.850 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.564 -2.360 17.568 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.654 -1.704 18.666 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.727 1.789 12.839 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.181 1.885 12.894 1.00 0.00 C ATOM 1939 C ILE A 120 -5.762 2.091 11.498 1.00 0.00 C ATOM 1940 O ILE A 120 -6.828 1.567 11.174 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.633 3.042 13.813 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.137 2.806 15.241 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.148 3.190 13.794 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -4.971 4.081 16.040 1.00 0.00 C ATOM 0 H ILE A 120 -3.238 2.478 13.410 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.553 0.946 13.305 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.198 3.968 13.438 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.839 2.151 15.758 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.182 2.283 15.204 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.442 4.011 14.448 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.480 3.400 12.777 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.608 2.265 14.143 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.617 3.839 17.042 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.247 4.728 15.546 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.930 4.595 16.108 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.050 2.853 10.675 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.489 3.123 9.313 1.00 0.00 C ATOM 1958 C ALA A 121 -5.505 1.843 8.487 1.00 0.00 C ATOM 1959 O ALA A 121 -6.458 1.576 7.756 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.588 4.162 8.663 1.00 0.00 C ATOM 0 H ALA A 121 -4.166 3.294 10.929 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.505 3.517 9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.929 4.353 7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.626 5.087 9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.563 3.791 8.639 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.443 1.052 8.612 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.353 -0.194 7.874 1.00 0.00 C ATOM 1968 C GLY A 122 -5.266 -1.269 8.433 1.00 0.00 C ATOM 1969 O GLY A 122 -5.620 -2.217 7.732 1.00 0.00 O ATOM 0 H GLY A 122 -3.643 1.253 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.608 -0.013 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.323 -0.550 7.894 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.650 -1.123 9.699 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.527 -2.092 10.347 1.00 0.00 C ATOM 1975 C HIS A 123 -7.845 -2.221 9.590 1.00 0.00 C ATOM 1976 O HIS A 123 -8.358 -3.324 9.402 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.794 -1.680 11.795 1.00 0.00 C ATOM 1978 CG HIS A 123 -7.141 -2.829 12.689 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -8.333 -3.519 12.603 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -6.443 -3.413 13.694 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -8.354 -4.475 13.515 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -7.220 -4.432 14.189 1.00 0.00 N ATOM 0 H HIS A 123 -5.368 -0.344 10.294 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.028 -3.061 10.340 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.911 -1.177 12.190 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.609 -0.956 11.814 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.460 -3.130 14.041 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -9.162 -5.173 13.681 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -6.962 -5.055 14.954 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.388 -1.088 9.159 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.646 -1.076 8.421 1.00 0.00 C ATOM 1993 C LYS A 124 -9.414 -1.258 6.920 1.00 0.00 C ATOM 1994 O LYS A 124 -10.362 -1.262 6.136 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.399 0.232 8.677 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.552 1.475 8.453 1.00 0.00 C ATOM 1997 CD LYS A 124 -9.176 2.138 9.769 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.299 3.021 10.289 1.00 0.00 C ATOM 1999 NZ LYS A 124 -9.964 3.628 11.607 1.00 0.00 N ATOM 0 H LYS A 124 -7.977 -0.166 9.308 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.247 -1.913 8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.271 0.274 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.769 0.234 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.647 1.206 7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.100 2.183 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -8.941 1.373 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.275 2.736 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.503 3.811 9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.211 2.431 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.726 4.275 11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.861 2.877 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.072 4.156 11.529 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.151 -1.413 6.525 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.810 -1.597 5.119 1.00 0.00 C ATOM 2015 C LEU A 125 -7.941 -3.065 4.720 1.00 0.00 C ATOM 2016 O LEU A 125 -7.818 -3.957 5.560 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.387 -1.108 4.843 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.231 0.411 4.738 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.779 0.783 4.485 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.121 0.961 3.636 1.00 0.00 C ATOM 0 H LEU A 125 -7.351 -1.415 7.158 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.507 -1.008 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.734 -1.471 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.039 -1.558 3.914 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.539 0.855 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.688 1.867 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.162 0.421 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.444 0.328 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -6.998 2.042 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.842 0.510 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.162 0.726 3.858 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.197 -3.336 3.429 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.349 -4.696 2.920 1.00 0.00 C ATOM 2034 C PRO A 126 -7.019 -5.333 2.520 1.00 0.00 C ATOM 2035 O PRO A 126 -6.989 -6.284 1.739 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.231 -4.488 1.694 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.835 -3.146 1.172 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.367 -2.335 2.358 1.00 0.00 C ATOM 0 HA PRO A 126 -8.761 -5.374 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.067 -5.268 0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.289 -4.516 1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.042 -3.239 0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.677 -2.659 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.432 -1.817 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.097 -1.574 2.635 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.921 -4.807 3.057 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.597 -5.330 2.748 1.00 0.00 C ATOM 2048 C ILE A 127 -3.629 -5.099 3.902 1.00 0.00 C ATOM 2049 O ILE A 127 -3.916 -4.338 4.826 1.00 0.00 O ATOM 2050 CB ILE A 127 -4.023 -4.683 1.473 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.173 -3.162 1.531 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.717 -5.242 0.240 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.228 -2.495 2.507 1.00 0.00 C ATOM 0 H ILE A 127 -5.924 -4.021 3.707 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.711 -6.402 2.585 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.961 -4.920 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.004 -2.751 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.199 -2.917 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.302 -4.776 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.562 -6.320 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.785 -5.031 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.392 -1.418 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.412 -2.878 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.198 -2.709 2.220 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.478 -5.763 3.843 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.465 -5.634 4.881 1.00 0.00 C ATOM 2067 C LYS A 128 -0.707 -4.317 4.746 1.00 0.00 C ATOM 2068 O LYS A 128 -0.465 -3.840 3.637 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.492 -6.809 4.809 1.00 0.00 C ATOM 2070 CG LYS A 128 -1.020 -8.076 5.463 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.226 -8.436 6.708 1.00 0.00 C ATOM 2072 CE LYS A 128 -0.368 -9.910 7.055 1.00 0.00 C ATOM 2073 NZ LYS A 128 0.889 -10.665 6.793 1.00 0.00 N ATOM 0 H LYS A 128 -2.225 -6.397 3.085 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.965 -5.640 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.264 -7.017 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.444 -6.525 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -2.069 -7.940 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.974 -8.900 4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.826 -8.198 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.568 -7.829 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.640 -10.011 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.180 -10.344 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 0.751 -11.665 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.136 -10.590 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 1.659 -10.268 7.368 1.00 0.00 H new ATOM 2087 N THR A 129 -0.334 -3.737 5.882 1.00 0.00 N ATOM 2088 CA THR A 129 0.398 -2.476 5.895 1.00 0.00 C ATOM 2089 C THR A 129 1.295 -2.389 7.125 1.00 0.00 C ATOM 2090 O THR A 129 0.977 -2.948 8.175 1.00 0.00 O ATOM 2091 CB THR A 129 -0.575 -1.296 5.878 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.155 -1.106 7.156 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.702 -1.458 4.881 1.00 0.00 C ATOM 0 H THR A 129 -0.527 -4.121 6.807 1.00 0.00 H new ATOM 0 HA THR A 129 1.022 -2.435 5.002 1.00 0.00 H new ATOM 0 HB THR A 129 0.024 -0.435 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.735 -1.867 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.353 -0.585 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.289 -1.554 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.277 -2.352 5.124 1.00 0.00 H new ATOM 2101 N LYS A 130 2.416 -1.687 6.993 1.00 0.00 N ATOM 2102 CA LYS A 130 3.350 -1.537 8.105 1.00 0.00 C ATOM 2103 C LYS A 130 3.835 -0.095 8.226 1.00 0.00 C ATOM 2104 O LYS A 130 3.750 0.682 7.276 1.00 0.00 O ATOM 2105 CB LYS A 130 4.543 -2.477 7.928 1.00 0.00 C ATOM 2106 CG LYS A 130 5.132 -2.456 6.527 1.00 0.00 C ATOM 2107 CD LYS A 130 6.651 -2.386 6.559 1.00 0.00 C ATOM 2108 CE LYS A 130 7.227 -2.157 5.171 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.595 -2.728 5.037 1.00 0.00 N ATOM 0 H LYS A 130 2.699 -1.216 6.134 1.00 0.00 H new ATOM 0 HA LYS A 130 2.823 -1.798 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.319 -2.204 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.232 -3.494 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.820 -3.350 5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.739 -1.599 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 130 6.965 -1.580 7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 130 7.050 -3.312 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.571 -2.608 4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.258 -1.088 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.953 -2.551 4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.228 -2.280 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.562 -3.753 5.211 1.00 0.00 H new ATOM 2123 N ILE A 131 4.350 0.251 9.403 1.00 0.00 N ATOM 2124 CA ILE A 131 4.856 1.597 9.652 1.00 0.00 C ATOM 2125 C ILE A 131 6.316 1.709 9.229 1.00 0.00 C ATOM 2126 O ILE A 131 7.098 0.778 9.422 1.00 0.00 O ATOM 2127 CB ILE A 131 4.742 1.994 11.142 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.536 1.317 11.803 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.643 3.505 11.279 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.215 1.659 11.152 1.00 0.00 C ATOM 0 H ILE A 131 4.428 -0.382 10.199 1.00 0.00 H new ATOM 0 HA ILE A 131 4.240 2.275 9.061 1.00 0.00 H new ATOM 0 HB ILE A 131 5.642 1.652 11.654 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.676 0.236 11.774 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.499 1.606 12.853 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.563 3.770 12.333 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.534 3.968 10.855 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.761 3.862 10.747 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.408 1.144 11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.052 2.735 11.204 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.232 1.345 10.108 1.00 0.00 H new ATOM 2142 N VAL A 132 6.681 2.847 8.646 1.00 0.00 N ATOM 2143 CA VAL A 132 8.052 3.061 8.197 1.00 0.00 C ATOM 2144 C VAL A 132 8.429 4.539 8.224 1.00 0.00 C ATOM 2145 O VAL A 132 7.733 5.379 7.655 1.00 0.00 O ATOM 2146 CB VAL A 132 8.264 2.510 6.773 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.752 1.082 6.676 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.582 3.397 5.739 1.00 0.00 C ATOM 0 H VAL A 132 6.051 3.630 8.474 1.00 0.00 H new ATOM 0 HA VAL A 132 8.697 2.522 8.891 1.00 0.00 H new ATOM 0 HB VAL A 132 9.334 2.510 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.909 0.707 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.292 0.453 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.688 1.060 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.746 2.987 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.512 3.437 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.999 4.403 5.791 1.00 0.00 H new ATOM 2158 N ARG A 133 9.544 4.849 8.878 1.00 0.00 N ATOM 2159 CA ARG A 133 10.018 6.223 8.963 1.00 0.00 C ATOM 2160 C ARG A 133 10.994 6.530 7.838 1.00 0.00 C ATOM 2161 O ARG A 133 12.059 5.920 7.748 1.00 0.00 O ATOM 2162 CB ARG A 133 10.706 6.484 10.299 1.00 0.00 C ATOM 2163 CG ARG A 133 10.485 7.893 10.821 1.00 0.00 C ATOM 2164 CD ARG A 133 10.754 7.992 12.315 1.00 0.00 C ATOM 2165 NE ARG A 133 11.772 8.994 12.621 1.00 0.00 N ATOM 2166 CZ ARG A 133 11.918 9.564 13.815 1.00 0.00 C ATOM 2167 NH1 ARG A 133 11.117 9.231 14.821 1.00 0.00 N ATOM 2168 NH2 ARG A 133 12.868 10.469 14.004 1.00 0.00 N ATOM 0 H ARG A 133 10.134 4.168 9.355 1.00 0.00 H new ATOM 0 HA ARG A 133 9.146 6.871 8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.339 5.769 11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.776 6.308 10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.138 8.584 10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.459 8.200 10.615 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.829 8.244 12.834 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.076 7.021 12.691 1.00 0.00 H new ATOM 0 HE ARG A 133 12.409 9.274 11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 133 10.385 8.535 14.681 1.00 0.00 H new ATOM 0 HH12 ARG A 133 11.234 9.671 15.733 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.486 10.728 13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.981 10.907 14.918 1.00 0.00 H new