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 43 THR OG1 : rot 180:sc= -1.74 USER MOD Set 1.2: A 46 GLN : amide:sc= -2.06 K(o=-3.8,f=-12!) USER MOD Single : A 32 TYR OH : rot -15:sc= 0.209 USER MOD Single : A 45 GLN : amide:sc= -1.54 K(o=-1.5,f=-5!) USER MOD Single : A 54 MET CE :methyl 149:sc= -9.76! (180deg=-12.4!) USER MOD Single : A 57 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-3.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 151:sc= -0.0855 (180deg=-0.558) USER MOD Single : A 103 MET CE :methyl -114:sc= -5.24! (180deg=-12.3!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : A 113 GLN : amide:sc= -0.628 K(o=-0.63,f=-4.7!) USER MOD Single : A 115 MET CE :methyl -174:sc= -0.0403 (180deg=-0.0605) USER MOD Single : A 123 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=0.006) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -63:sc= -0.838 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.208 12.425 8.959 1.00 0.00 N ATOM 508 CA ASP A 31 8.386 11.649 9.324 1.00 0.00 C ATOM 509 C ASP A 31 8.128 10.157 9.143 1.00 0.00 C ATOM 510 O ASP A 31 9.028 9.400 8.785 1.00 0.00 O ATOM 511 CB ASP A 31 8.786 11.938 10.771 1.00 0.00 C ATOM 512 CG ASP A 31 9.677 13.159 10.892 1.00 0.00 C ATOM 513 OD1 ASP A 31 9.143 14.288 10.874 1.00 0.00 O ATOM 514 OD2 ASP A 31 10.909 12.985 11.003 1.00 0.00 O ATOM 0 HA ASP A 31 9.203 11.942 8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.888 12.086 11.371 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.304 11.071 11.182 1.00 0.00 H new ATOM 519 N TYR A 32 6.890 9.744 9.389 1.00 0.00 N ATOM 520 CA TYR A 32 6.506 8.345 9.249 1.00 0.00 C ATOM 521 C TYR A 32 5.676 8.142 7.988 1.00 0.00 C ATOM 522 O TYR A 32 5.279 9.108 7.335 1.00 0.00 O ATOM 523 CB TYR A 32 5.712 7.886 10.471 1.00 0.00 C ATOM 524 CG TYR A 32 6.575 7.479 11.643 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.608 6.560 11.491 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.351 8.011 12.906 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.390 6.185 12.567 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.128 7.641 13.985 1.00 0.00 C ATOM 529 CZ TYR A 32 8.146 6.727 13.811 1.00 0.00 C ATOM 530 OH TYR A 32 8.923 6.355 14.884 1.00 0.00 O ATOM 0 H TYR A 32 6.134 10.360 9.687 1.00 0.00 H new ATOM 0 HA TYR A 32 7.415 7.748 9.172 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.047 8.691 10.784 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.081 7.044 10.187 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.802 6.133 10.518 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.555 8.727 13.046 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.189 5.470 12.434 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.940 8.065 14.960 1.00 0.00 H new ATOM 0 HH TYR A 32 9.426 5.545 14.658 1.00 0.00 H new ATOM 540 N GLY A 33 5.416 6.885 7.647 1.00 0.00 N ATOM 541 CA GLY A 33 4.634 6.595 6.462 1.00 0.00 C ATOM 542 C GLY A 33 3.987 5.225 6.501 1.00 0.00 C ATOM 543 O GLY A 33 4.651 4.224 6.776 1.00 0.00 O ATOM 0 H GLY A 33 5.731 6.066 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.859 7.354 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.276 6.663 5.584 1.00 0.00 H new ATOM 547 N LEU A 34 2.690 5.177 6.211 1.00 0.00 N ATOM 548 CA LEU A 34 1.954 3.918 6.199 1.00 0.00 C ATOM 549 C LEU A 34 1.984 3.319 4.801 1.00 0.00 C ATOM 550 O LEU A 34 1.357 3.839 3.878 1.00 0.00 O ATOM 551 CB LEU A 34 0.505 4.137 6.643 1.00 0.00 C ATOM 552 CG LEU A 34 -0.237 2.887 7.130 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.746 2.078 5.949 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.658 2.033 8.019 1.00 0.00 C ATOM 0 H LEU A 34 2.127 5.996 5.981 1.00 0.00 H new ATOM 0 HA LEU A 34 2.429 3.229 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.498 4.877 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.051 4.565 5.809 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.092 3.209 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.270 1.194 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.429 2.688 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.096 1.771 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.108 1.153 8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.538 1.720 7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.970 2.614 8.887 1.00 0.00 H new ATOM 566 N VAL A 35 2.731 2.234 4.646 1.00 0.00 N ATOM 567 CA VAL A 35 2.860 1.582 3.353 1.00 0.00 C ATOM 568 C VAL A 35 1.943 0.372 3.230 1.00 0.00 C ATOM 569 O VAL A 35 1.739 -0.373 4.188 1.00 0.00 O ATOM 570 CB VAL A 35 4.311 1.128 3.098 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.836 0.333 4.281 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.406 0.307 1.819 1.00 0.00 C ATOM 0 H VAL A 35 3.255 1.789 5.399 1.00 0.00 H new ATOM 0 HA VAL A 35 2.570 2.323 2.608 1.00 0.00 H new ATOM 0 HB VAL A 35 4.929 2.018 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.861 0.021 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.812 0.954 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.212 -0.547 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.439 -0.002 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.773 -0.576 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.074 0.910 0.974 1.00 0.00 H new ATOM 582 N ALA A 36 1.422 0.172 2.026 1.00 0.00 N ATOM 583 CA ALA A 36 0.556 -0.959 1.743 1.00 0.00 C ATOM 584 C ALA A 36 1.379 -2.092 1.148 1.00 0.00 C ATOM 585 O ALA A 36 1.831 -2.004 0.008 1.00 0.00 O ATOM 586 CB ALA A 36 -0.559 -0.550 0.791 1.00 0.00 C ATOM 0 H ALA A 36 1.587 0.784 1.227 1.00 0.00 H new ATOM 0 HA ALA A 36 0.099 -1.301 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.199 -1.409 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.151 0.245 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.127 -0.192 -0.143 1.00 0.00 H new ATOM 592 N LEU A 37 1.591 -3.144 1.935 1.00 0.00 N ATOM 593 CA LEU A 37 2.383 -4.289 1.493 1.00 0.00 C ATOM 594 C LEU A 37 1.617 -5.168 0.505 1.00 0.00 C ATOM 595 O LEU A 37 2.154 -6.154 0.001 1.00 0.00 O ATOM 596 CB LEU A 37 2.812 -5.125 2.699 1.00 0.00 C ATOM 597 CG LEU A 37 3.399 -4.329 3.864 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.294 -5.121 5.158 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.846 -3.958 3.576 1.00 0.00 C ATOM 0 H LEU A 37 1.225 -3.227 2.883 1.00 0.00 H new ATOM 0 HA LEU A 37 3.262 -3.899 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.948 -5.684 3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.550 -5.856 2.370 1.00 0.00 H new ATOM 0 HG LEU A 37 2.825 -3.410 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.717 -4.538 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.246 -5.336 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.843 -6.057 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.250 -3.391 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.433 -4.865 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.893 -3.351 2.672 1.00 0.00 H new ATOM 611 N GLU A 38 0.364 -4.819 0.232 1.00 0.00 N ATOM 612 CA GLU A 38 -0.454 -5.594 -0.692 1.00 0.00 C ATOM 613 C GLU A 38 -1.341 -4.680 -1.534 1.00 0.00 C ATOM 614 O GLU A 38 -1.707 -3.586 -1.103 1.00 0.00 O ATOM 615 CB GLU A 38 -1.313 -6.597 0.080 1.00 0.00 C ATOM 616 CG GLU A 38 -1.159 -8.028 -0.406 1.00 0.00 C ATOM 617 CD GLU A 38 -0.857 -8.999 0.718 1.00 0.00 C ATOM 618 OE1 GLU A 38 -1.391 -8.804 1.831 1.00 0.00 O ATOM 619 OE2 GLU A 38 -0.089 -9.956 0.486 1.00 0.00 O ATOM 0 H GLU A 38 -0.105 -4.008 0.636 1.00 0.00 H new ATOM 0 HA GLU A 38 0.211 -6.137 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.050 -6.550 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.360 -6.305 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.075 -8.336 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.358 -8.072 -1.144 1.00 0.00 H new ATOM 626 N PRO A 39 -1.702 -5.119 -2.752 1.00 0.00 N ATOM 627 CA PRO A 39 -2.551 -4.336 -3.651 1.00 0.00 C ATOM 628 C PRO A 39 -4.013 -4.355 -3.219 1.00 0.00 C ATOM 629 O PRO A 39 -4.546 -5.401 -2.852 1.00 0.00 O ATOM 630 CB PRO A 39 -2.379 -5.041 -4.996 1.00 0.00 C ATOM 631 CG PRO A 39 -2.082 -6.457 -4.641 1.00 0.00 C ATOM 632 CD PRO A 39 -1.313 -6.414 -3.346 1.00 0.00 C ATOM 0 HA PRO A 39 -2.273 -3.282 -3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.282 -4.965 -5.602 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.568 -4.599 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.002 -7.031 -4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.498 -6.940 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.576 -7.248 -2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.238 -6.470 -3.516 1.00 0.00 H new ATOM 640 N ALA A 40 -4.657 -3.192 -3.260 1.00 0.00 N ATOM 641 CA ALA A 40 -6.058 -3.088 -2.865 1.00 0.00 C ATOM 642 C ALA A 40 -6.670 -1.769 -3.323 1.00 0.00 C ATOM 643 O ALA A 40 -5.971 -0.881 -3.812 1.00 0.00 O ATOM 644 CB ALA A 40 -6.188 -3.236 -1.356 1.00 0.00 C ATOM 0 H ALA A 40 -4.234 -2.314 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.606 -3.895 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.237 -3.157 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.802 -4.209 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.618 -2.449 -0.863 1.00 0.00 H new ATOM 650 N TRP A 41 -7.984 -1.650 -3.156 1.00 0.00 N ATOM 651 CA TRP A 41 -8.704 -0.443 -3.544 1.00 0.00 C ATOM 652 C TRP A 41 -9.195 0.310 -2.310 1.00 0.00 C ATOM 653 O TRP A 41 -10.120 -0.134 -1.630 1.00 0.00 O ATOM 654 CB TRP A 41 -9.891 -0.797 -4.440 1.00 0.00 C ATOM 655 CG TRP A 41 -9.495 -1.491 -5.706 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.470 -1.150 -6.539 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.119 -2.641 -6.284 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.415 -2.021 -7.600 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.418 -2.946 -7.467 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.201 -3.445 -5.915 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -9.765 -4.020 -8.282 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -11.546 -4.511 -6.727 1.00 0.00 C ATOM 663 CH2 TRP A 41 -10.829 -4.791 -7.897 1.00 0.00 C ATOM 0 H TRP A 41 -8.573 -2.378 -2.753 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.019 0.199 -4.098 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.578 -1.435 -3.884 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.433 0.115 -4.689 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.800 -0.317 -6.387 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.738 -1.985 -8.362 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.758 -3.238 -5.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.215 -4.237 -9.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.382 -5.138 -6.454 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.121 -5.632 -8.508 1.00 0.00 H new ATOM 674 N ILE A 42 -8.570 1.447 -2.024 1.00 0.00 N ATOM 675 CA ILE A 42 -8.948 2.252 -0.869 1.00 0.00 C ATOM 676 C ILE A 42 -10.125 3.166 -1.193 1.00 0.00 C ATOM 677 O ILE A 42 -10.061 3.969 -2.124 1.00 0.00 O ATOM 678 CB ILE A 42 -7.772 3.111 -0.364 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.489 2.280 -0.305 1.00 0.00 C ATOM 680 CG2 ILE A 42 -8.094 3.695 1.004 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.558 1.130 0.675 1.00 0.00 C ATOM 0 H ILE A 42 -7.802 1.831 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.238 1.552 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.616 3.933 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.274 1.887 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.657 2.930 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.255 4.299 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.985 4.319 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.273 2.886 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.614 0.585 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.742 1.517 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.368 0.458 0.391 1.00 0.00 H new ATOM 693 N THR A 43 -11.197 3.039 -0.418 1.00 0.00 N ATOM 694 CA THR A 43 -12.388 3.853 -0.621 1.00 0.00 C ATOM 695 C THR A 43 -12.199 5.250 -0.042 1.00 0.00 C ATOM 696 O THR A 43 -11.212 5.521 0.642 1.00 0.00 O ATOM 697 CB THR A 43 -13.602 3.190 0.028 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.215 2.441 1.167 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.340 2.261 -0.903 1.00 0.00 C ATOM 0 H THR A 43 -11.265 2.379 0.357 1.00 0.00 H new ATOM 0 HA THR A 43 -12.555 3.939 -1.695 1.00 0.00 H new ATOM 0 HB THR A 43 -14.268 4.008 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.006 2.025 1.569 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.191 1.823 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.694 2.820 -1.769 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.669 1.468 -1.233 1.00 0.00 H new ATOM 707 N ALA A 44 -13.154 6.129 -0.317 1.00 0.00 N ATOM 708 CA ALA A 44 -13.096 7.495 0.182 1.00 0.00 C ATOM 709 C ALA A 44 -13.114 7.514 1.705 1.00 0.00 C ATOM 710 O ALA A 44 -12.347 8.240 2.337 1.00 0.00 O ATOM 711 CB ALA A 44 -14.252 8.311 -0.375 1.00 0.00 C ATOM 0 H ALA A 44 -13.977 5.920 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.161 7.944 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.195 9.330 0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.194 8.328 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.196 7.861 -0.068 1.00 0.00 H new ATOM 717 N GLN A 45 -14.002 6.713 2.291 1.00 0.00 N ATOM 718 CA GLN A 45 -14.136 6.628 3.714 1.00 0.00 C ATOM 719 C GLN A 45 -12.843 6.183 4.386 1.00 0.00 C ATOM 720 O GLN A 45 -12.492 6.677 5.447 1.00 0.00 O ATOM 721 CB GLN A 45 -15.248 5.644 4.008 1.00 0.00 C ATOM 722 CG GLN A 45 -16.429 6.273 4.699 1.00 0.00 C ATOM 723 CD GLN A 45 -16.592 5.809 6.134 1.00 0.00 C ATOM 724 OE1 GLN A 45 -15.711 5.155 6.692 1.00 0.00 O ATOM 725 NE2 GLN A 45 -17.725 6.147 6.739 1.00 0.00 N ATOM 0 H GLN A 45 -14.643 6.109 1.776 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.368 7.615 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.580 5.191 3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.857 4.839 4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.317 7.357 4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.336 6.039 4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -18.428 6.690 6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.892 5.863 7.704 1.00 0.00 H new ATOM 734 N GLN A 46 -12.138 5.246 3.771 1.00 0.00 N ATOM 735 CA GLN A 46 -10.895 4.749 4.344 1.00 0.00 C ATOM 736 C GLN A 46 -9.890 5.880 4.530 1.00 0.00 C ATOM 737 O GLN A 46 -9.115 5.883 5.486 1.00 0.00 O ATOM 738 CB GLN A 46 -10.304 3.645 3.466 1.00 0.00 C ATOM 739 CG GLN A 46 -10.749 2.249 3.877 1.00 0.00 C ATOM 740 CD GLN A 46 -11.204 1.409 2.700 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.637 1.485 1.612 1.00 0.00 O ATOM 742 NE2 GLN A 46 -12.235 0.601 2.916 1.00 0.00 N ATOM 0 H GLN A 46 -12.401 4.817 2.884 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.118 4.330 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.592 3.821 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.216 3.700 3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.926 1.744 4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.563 2.329 4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.675 0.571 3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.587 0.011 2.162 1.00 0.00 H new ATOM 751 N ILE A 47 -9.908 6.842 3.615 1.00 0.00 N ATOM 752 CA ILE A 47 -8.998 7.978 3.686 1.00 0.00 C ATOM 753 C ILE A 47 -9.382 8.937 4.811 1.00 0.00 C ATOM 754 O ILE A 47 -8.535 9.346 5.606 1.00 0.00 O ATOM 755 CB ILE A 47 -8.961 8.751 2.354 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.701 7.792 1.192 1.00 0.00 C ATOM 757 CG2 ILE A 47 -7.899 9.840 2.399 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.097 8.354 -0.156 1.00 0.00 C ATOM 0 H ILE A 47 -10.542 6.858 2.816 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.008 7.571 3.891 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.930 9.226 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.642 7.536 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.249 6.866 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.887 10.376 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.126 10.537 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.922 9.389 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.884 7.620 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.163 8.584 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.530 9.264 -0.352 1.00 0.00 H new ATOM 770 N GLU A 48 -10.660 9.302 4.871 1.00 0.00 N ATOM 771 CA GLU A 48 -11.146 10.222 5.897 1.00 0.00 C ATOM 772 C GLU A 48 -11.444 9.492 7.205 1.00 0.00 C ATOM 773 O GLU A 48 -11.040 9.935 8.280 1.00 0.00 O ATOM 774 CB GLU A 48 -12.403 10.943 5.410 1.00 0.00 C ATOM 775 CG GLU A 48 -12.563 12.342 5.982 1.00 0.00 C ATOM 776 CD GLU A 48 -13.048 13.341 4.951 1.00 0.00 C ATOM 777 OE1 GLU A 48 -12.538 13.313 3.811 1.00 0.00 O ATOM 778 OE2 GLU A 48 -13.938 14.152 5.283 1.00 0.00 O ATOM 0 H GLU A 48 -11.377 8.976 4.223 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.359 10.953 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.377 11.005 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.278 10.349 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.267 12.312 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.608 12.677 6.386 1.00 0.00 H new ATOM 785 N ALA A 49 -12.155 8.375 7.103 1.00 0.00 N ATOM 786 CA ALA A 49 -12.514 7.580 8.275 1.00 0.00 C ATOM 787 C ALA A 49 -11.277 7.208 9.084 1.00 0.00 C ATOM 788 O ALA A 49 -11.257 7.349 10.308 1.00 0.00 O ATOM 789 CB ALA A 49 -13.271 6.325 7.856 1.00 0.00 C ATOM 0 H ALA A 49 -12.496 7.997 6.219 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.163 8.186 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.531 5.744 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.181 6.609 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.643 5.724 7.199 1.00 0.00 H new ATOM 795 N ALA A 50 -10.245 6.739 8.393 1.00 0.00 N ATOM 796 CA ALA A 50 -9.001 6.350 9.045 1.00 0.00 C ATOM 797 C ALA A 50 -8.320 7.555 9.683 1.00 0.00 C ATOM 798 O ALA A 50 -7.817 7.475 10.803 1.00 0.00 O ATOM 799 CB ALA A 50 -8.068 5.681 8.049 1.00 0.00 C ATOM 0 H ALA A 50 -10.245 6.619 7.380 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.240 5.637 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.143 5.396 8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.548 4.791 7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.842 6.375 7.239 1.00 0.00 H new ATOM 805 N ARG A 51 -8.312 8.674 8.965 1.00 0.00 N ATOM 806 CA ARG A 51 -7.694 9.897 9.464 1.00 0.00 C ATOM 807 C ARG A 51 -8.345 10.337 10.772 1.00 0.00 C ATOM 808 O ARG A 51 -7.662 10.748 11.709 1.00 0.00 O ATOM 809 CB ARG A 51 -7.803 11.012 8.420 1.00 0.00 C ATOM 810 CG ARG A 51 -6.460 11.474 7.880 1.00 0.00 C ATOM 811 CD ARG A 51 -6.444 12.973 7.625 1.00 0.00 C ATOM 812 NE ARG A 51 -6.875 13.304 6.268 1.00 0.00 N ATOM 813 CZ ARG A 51 -8.128 13.610 5.935 1.00 0.00 C ATOM 814 NH1 ARG A 51 -9.088 13.624 6.854 1.00 0.00 N ATOM 815 NH2 ARG A 51 -8.425 13.902 4.676 1.00 0.00 N ATOM 0 H ARG A 51 -8.726 8.759 8.037 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.640 9.694 9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.418 10.663 7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.319 11.864 8.863 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.674 11.217 8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.238 10.944 6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.096 13.470 8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.437 13.358 7.789 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.172 13.300 5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.868 13.399 7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.044 13.860 6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.694 13.892 3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.384 14.136 4.419 1.00 0.00 H new ATOM 829 N VAL A 52 -9.669 10.244 10.827 1.00 0.00 N ATOM 830 CA VAL A 52 -10.413 10.631 12.020 1.00 0.00 C ATOM 831 C VAL A 52 -9.965 9.818 13.231 1.00 0.00 C ATOM 832 O VAL A 52 -9.828 10.348 14.333 1.00 0.00 O ATOM 833 CB VAL A 52 -11.930 10.442 11.823 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.697 10.982 13.021 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.390 11.114 10.536 1.00 0.00 C ATOM 0 H VAL A 52 -10.249 9.904 10.060 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.206 11.687 12.195 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.137 9.375 11.742 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.766 10.839 12.863 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.389 10.449 13.921 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.486 12.045 13.139 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.464 10.970 10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.170 12.181 10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.866 10.673 9.688 1.00 0.00 H new ATOM 845 N ALA A 53 -9.738 8.526 13.015 1.00 0.00 N ATOM 846 CA ALA A 53 -9.306 7.636 14.086 1.00 0.00 C ATOM 847 C ALA A 53 -7.863 7.920 14.487 1.00 0.00 C ATOM 848 O ALA A 53 -7.509 7.852 15.664 1.00 0.00 O ATOM 849 CB ALA A 53 -9.461 6.185 13.656 1.00 0.00 C ATOM 0 H ALA A 53 -9.846 8.072 12.108 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.938 7.817 14.955 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.135 5.529 14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.507 5.984 13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.852 6.001 12.771 1.00 0.00 H new ATOM 855 N MET A 54 -7.032 8.237 13.500 1.00 0.00 N ATOM 856 CA MET A 54 -5.625 8.531 13.746 1.00 0.00 C ATOM 857 C MET A 54 -5.460 9.872 14.455 1.00 0.00 C ATOM 858 O MET A 54 -4.742 9.973 15.451 1.00 0.00 O ATOM 859 CB MET A 54 -4.850 8.541 12.428 1.00 0.00 C ATOM 860 CG MET A 54 -4.793 7.185 11.747 1.00 0.00 C ATOM 861 SD MET A 54 -3.478 7.081 10.517 1.00 0.00 S ATOM 862 CE MET A 54 -4.251 7.901 9.124 1.00 0.00 C ATOM 0 H MET A 54 -7.309 8.297 12.520 1.00 0.00 H new ATOM 0 HA MET A 54 -5.225 7.750 14.393 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.311 9.260 11.750 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.834 8.887 12.616 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.644 6.411 12.499 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.751 6.983 11.267 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.488 8.402 8.528 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.767 7.164 8.508 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.969 8.636 9.487 1.00 0.00 H new ATOM 872 N VAL A 55 -6.125 10.898 13.936 1.00 0.00 N ATOM 873 CA VAL A 55 -6.049 12.234 14.519 1.00 0.00 C ATOM 874 C VAL A 55 -6.471 12.221 15.984 1.00 0.00 C ATOM 875 O VAL A 55 -5.899 12.929 16.812 1.00 0.00 O ATOM 876 CB VAL A 55 -6.932 13.234 13.748 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.768 14.639 14.310 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.603 13.206 12.263 1.00 0.00 C ATOM 0 H VAL A 55 -6.723 10.831 13.113 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.009 12.551 14.449 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.973 12.937 13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.400 15.330 13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.060 14.647 15.360 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.726 14.947 14.221 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.237 13.919 11.736 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.557 13.474 12.117 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.779 12.205 11.870 1.00 0.00 H new ATOM 888 N ARG A 56 -7.476 11.412 16.297 1.00 0.00 N ATOM 889 CA ARG A 56 -7.977 11.306 17.660 1.00 0.00 C ATOM 890 C ARG A 56 -7.022 10.498 18.535 1.00 0.00 C ATOM 891 O ARG A 56 -6.939 10.716 19.744 1.00 0.00 O ATOM 892 CB ARG A 56 -9.361 10.658 17.660 1.00 0.00 C ATOM 893 CG ARG A 56 -10.483 11.619 17.295 1.00 0.00 C ATOM 894 CD ARG A 56 -11.837 10.927 17.300 1.00 0.00 C ATOM 895 NE ARG A 56 -12.670 11.365 18.417 1.00 0.00 N ATOM 896 CZ ARG A 56 -13.126 12.608 18.559 1.00 0.00 C ATOM 897 NH1 ARG A 56 -12.834 13.537 17.658 1.00 0.00 N ATOM 898 NH2 ARG A 56 -13.878 12.921 19.606 1.00 0.00 N ATOM 0 H ARG A 56 -7.960 10.819 15.623 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.050 12.311 18.074 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.363 9.826 16.956 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.558 10.241 18.648 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.496 12.449 18.001 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.294 12.042 16.309 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.352 11.131 16.361 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.693 9.848 17.356 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.917 10.679 19.130 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.257 13.301 16.851 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.186 14.487 17.773 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.106 12.210 20.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.228 13.873 19.716 1.00 0.00 H new ATOM 912 N HIS A 57 -6.306 9.565 17.917 1.00 0.00 N ATOM 913 CA HIS A 57 -5.361 8.723 18.642 1.00 0.00 C ATOM 914 C HIS A 57 -4.218 9.552 19.223 1.00 0.00 C ATOM 915 O HIS A 57 -3.900 9.440 20.407 1.00 0.00 O ATOM 916 CB HIS A 57 -4.800 7.637 17.722 1.00 0.00 C ATOM 917 CG HIS A 57 -4.164 6.501 18.460 1.00 0.00 C ATOM 918 ND1 HIS A 57 -4.848 5.709 19.358 1.00 0.00 N ATOM 919 CD2 HIS A 57 -2.896 6.024 18.432 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.030 4.797 19.851 1.00 0.00 C ATOM 921 NE2 HIS A 57 -2.840 4.966 19.306 1.00 0.00 N ATOM 0 H HIS A 57 -6.362 9.373 16.917 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.897 8.252 19.466 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.605 7.249 17.098 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.064 8.083 17.053 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.833 5.812 19.603 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.081 6.405 17.834 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.291 4.041 20.577 1.00 0.00 H new ATOM 930 N PHE A 58 -3.603 10.381 18.383 1.00 0.00 N ATOM 931 CA PHE A 58 -2.493 11.225 18.817 1.00 0.00 C ATOM 932 C PHE A 58 -2.862 12.016 20.070 1.00 0.00 C ATOM 933 O PHE A 58 -3.656 12.954 20.012 1.00 0.00 O ATOM 934 CB PHE A 58 -2.084 12.187 17.700 1.00 0.00 C ATOM 935 CG PHE A 58 -1.888 11.520 16.368 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.982 10.481 16.224 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.608 11.935 15.261 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.799 9.869 14.998 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.431 11.326 14.033 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.524 10.292 13.902 1.00 0.00 C ATOM 0 H PHE A 58 -3.854 10.486 17.400 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.652 10.573 19.054 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.847 12.959 17.601 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.159 12.688 17.985 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.413 10.146 17.079 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.317 12.744 15.358 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.090 9.061 14.898 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.001 11.658 13.177 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.382 9.815 12.943 1.00 0.00 H new ATOM 950 N ARG A 59 -2.278 11.629 21.199 1.00 0.00 N ATOM 951 CA ARG A 59 -2.546 12.302 22.465 1.00 0.00 C ATOM 952 C ARG A 59 -1.795 13.627 22.548 1.00 0.00 C ATOM 953 O ARG A 59 -2.275 14.587 23.151 1.00 0.00 O ATOM 954 CB ARG A 59 -2.146 11.405 23.639 1.00 0.00 C ATOM 955 CG ARG A 59 -3.036 10.183 23.799 1.00 0.00 C ATOM 956 CD ARG A 59 -2.922 9.592 25.196 1.00 0.00 C ATOM 957 NE ARG A 59 -4.204 9.089 25.684 1.00 0.00 N ATOM 958 CZ ARG A 59 -4.725 7.918 25.327 1.00 0.00 C ATOM 959 NH1 ARG A 59 -4.080 7.128 24.478 1.00 0.00 N ATOM 960 NH2 ARG A 59 -5.896 7.536 25.819 1.00 0.00 N ATOM 0 H ARG A 59 -1.617 10.855 21.264 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.615 12.506 22.518 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.115 11.078 23.502 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.175 11.989 24.559 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.072 10.458 23.602 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.760 9.431 23.060 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.194 8.781 25.188 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.546 10.352 25.881 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.730 9.670 26.337 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.180 7.417 24.095 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.484 6.231 24.208 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.397 8.140 26.471 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.296 6.638 25.546 1.00 0.00 H new ATOM 974 N ARG A 60 -0.615 13.673 21.937 1.00 0.00 N ATOM 975 CA ARG A 60 0.201 14.881 21.942 1.00 0.00 C ATOM 976 C ARG A 60 0.018 15.667 20.648 1.00 0.00 C ATOM 977 O ARG A 60 0.949 16.312 20.165 1.00 0.00 O ATOM 978 CB ARG A 60 1.677 14.522 22.131 1.00 0.00 C ATOM 979 CG ARG A 60 1.970 13.832 23.453 1.00 0.00 C ATOM 980 CD ARG A 60 2.389 14.831 24.521 1.00 0.00 C ATOM 981 NE ARG A 60 1.799 14.521 25.821 1.00 0.00 N ATOM 982 CZ ARG A 60 1.715 15.392 26.824 1.00 0.00 C ATOM 983 NH1 ARG A 60 2.182 16.627 26.680 1.00 0.00 N ATOM 984 NH2 ARG A 60 1.163 15.029 27.973 1.00 0.00 N ATOM 0 H ARG A 60 -0.203 12.888 21.433 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.124 15.506 22.774 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.992 13.873 21.314 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.275 15.431 22.065 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.085 13.291 23.787 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.760 13.095 23.313 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.476 14.835 24.608 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.090 15.834 24.217 1.00 0.00 H new ATOM 0 HE ARG A 60 1.430 13.582 25.969 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.607 16.912 25.798 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.115 17.291 27.452 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.802 14.082 28.089 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.099 15.697 28.741 1.00 0.00 H new ATOM 998 N GLY A 61 -1.187 15.610 20.091 1.00 0.00 N ATOM 999 CA GLY A 61 -1.469 16.322 18.859 1.00 0.00 C ATOM 1000 C GLY A 61 -0.680 15.782 17.683 1.00 0.00 C ATOM 1001 O GLY A 61 0.279 15.031 17.862 1.00 0.00 O ATOM 0 H GLY A 61 -1.973 15.083 20.471 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.534 16.254 18.640 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.238 17.379 18.993 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.082 16.168 16.476 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.393 15.709 15.284 1.00 0.00 C ATOM 1007 C GLY A 62 -1.204 15.934 14.023 1.00 0.00 C ATOM 1008 O GLY A 62 -2.361 16.348 14.087 1.00 0.00 O ATOM 0 H GLY A 62 -1.872 16.790 16.302 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.561 16.229 15.196 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.169 14.647 15.384 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.595 15.663 12.874 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.267 15.839 11.593 1.00 0.00 C ATOM 1014 C LYS A 63 -0.868 14.741 10.613 1.00 0.00 C ATOM 1015 O LYS A 63 0.245 14.215 10.672 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.936 17.211 11.002 1.00 0.00 C ATOM 1017 CG LYS A 63 0.546 17.547 11.033 1.00 0.00 C ATOM 1018 CD LYS A 63 0.779 19.019 11.339 1.00 0.00 C ATOM 1019 CE LYS A 63 1.487 19.723 10.192 1.00 0.00 C ATOM 1020 NZ LYS A 63 2.954 19.827 10.425 1.00 0.00 N ATOM 0 H LYS A 63 0.363 15.320 12.804 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.342 15.775 11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.286 17.247 9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.485 17.976 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.043 16.935 11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.996 17.299 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.176 19.507 11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.374 19.113 12.247 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.304 19.180 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.068 20.721 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.400 20.313 9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.130 20.367 11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.359 18.874 10.521 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.785 14.397 9.713 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.531 13.359 8.720 1.00 0.00 C ATOM 1036 C ILE A 64 -1.615 13.920 7.306 1.00 0.00 C ATOM 1037 O ILE A 64 -2.448 14.778 7.015 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.526 12.187 8.847 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.961 12.000 10.304 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.903 10.908 8.304 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.901 10.831 10.509 1.00 0.00 C ATOM 0 H ILE A 64 -2.710 14.822 9.651 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.523 12.990 8.910 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.413 12.420 8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.076 11.857 10.924 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.448 12.912 10.649 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.615 10.088 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.646 11.046 7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.002 10.674 8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.167 10.759 11.564 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.803 10.981 9.916 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.410 9.910 10.195 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.751 13.423 6.428 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.729 13.867 5.040 1.00 0.00 C ATOM 1055 C PHE A 65 -1.115 12.725 4.106 1.00 0.00 C ATOM 1056 O PHE A 65 -0.357 11.771 3.931 1.00 0.00 O ATOM 1057 CB PHE A 65 0.657 14.400 4.673 1.00 0.00 C ATOM 1058 CG PHE A 65 1.177 15.429 5.635 1.00 0.00 C ATOM 1059 CD1 PHE A 65 0.695 16.729 5.607 1.00 0.00 C ATOM 1060 CD2 PHE A 65 2.147 15.099 6.569 1.00 0.00 C ATOM 1061 CE1 PHE A 65 1.171 17.678 6.491 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.626 16.045 7.455 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.137 17.336 7.417 1.00 0.00 C ATOM 0 H PHE A 65 -0.056 12.711 6.654 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.456 14.671 4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.358 13.567 4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.618 14.835 3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.061 17.003 4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.533 14.091 6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.788 18.687 6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.382 15.775 8.177 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.509 18.076 8.110 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.300 12.827 3.514 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.790 11.797 2.604 1.00 0.00 C ATOM 1075 C ILE A 66 -2.498 12.159 1.152 1.00 0.00 C ATOM 1076 O ILE A 66 -2.654 13.310 0.745 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.308 11.569 2.765 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.737 11.767 4.221 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.687 10.176 2.280 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -3.973 10.906 5.204 1.00 0.00 C ATOM 0 H ILE A 66 -2.939 13.611 3.647 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.263 10.879 2.863 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.832 12.305 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.604 12.815 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.801 11.547 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.760 10.029 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.421 10.072 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.151 9.429 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.332 11.101 6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.126 9.854 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.910 11.142 5.145 1.00 0.00 H new ATOM 1092 N ARG A 67 -2.075 11.166 0.376 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.764 11.377 -1.034 1.00 0.00 C ATOM 1094 C ARG A 67 -2.747 10.626 -1.927 1.00 0.00 C ATOM 1095 O ARG A 67 -3.041 11.058 -3.042 1.00 0.00 O ATOM 1096 CB ARG A 67 -0.334 10.921 -1.334 1.00 0.00 C ATOM 1097 CG ARG A 67 0.707 11.540 -0.416 1.00 0.00 C ATOM 1098 CD ARG A 67 1.074 12.947 -0.861 1.00 0.00 C ATOM 1099 NE ARG A 67 1.488 12.990 -2.261 1.00 0.00 N ATOM 1100 CZ ARG A 67 2.702 12.648 -2.687 1.00 0.00 C ATOM 1101 NH1 ARG A 67 3.624 12.236 -1.825 1.00 0.00 N ATOM 1102 NH2 ARG A 67 2.995 12.717 -3.978 1.00 0.00 N ATOM 0 H ARG A 67 -1.940 10.208 0.699 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.852 12.443 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.282 9.836 -1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.091 11.171 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.324 11.568 0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.601 10.916 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.219 13.607 -0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.880 13.327 -0.233 1.00 0.00 H new ATOM 0 HE ARG A 67 0.806 13.301 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.404 12.180 -0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.552 11.975 -2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.290 13.032 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.925 12.455 -4.305 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.253 9.502 -1.430 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.202 8.692 -2.183 1.00 0.00 C ATOM 1118 C ILE A 68 -5.497 9.455 -2.441 1.00 0.00 C ATOM 1119 O ILE A 68 -5.953 10.228 -1.598 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.532 7.380 -1.443 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.103 7.679 -0.056 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.289 6.509 -1.333 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.443 6.437 0.737 1.00 0.00 C ATOM 0 H ILE A 68 -3.021 9.132 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.728 8.456 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.285 6.837 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.381 8.272 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.000 8.288 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.537 5.586 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.922 6.272 -2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.517 7.045 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.843 6.724 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.188 5.853 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.544 5.837 0.877 1.00 0.00 H new ATOM 1135 N PHE A 69 -6.085 9.234 -3.613 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.327 9.902 -3.984 1.00 0.00 C ATOM 1137 C PHE A 69 -8.218 8.974 -4.811 1.00 0.00 C ATOM 1138 O PHE A 69 -7.784 8.437 -5.831 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.027 11.176 -4.775 1.00 0.00 C ATOM 1140 CG PHE A 69 -7.989 12.295 -4.498 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -8.111 12.821 -3.222 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.771 12.821 -5.514 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -8.995 13.851 -2.964 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -9.658 13.851 -5.262 1.00 0.00 C ATOM 1145 CZ PHE A 69 -9.770 14.367 -3.985 1.00 0.00 C ATOM 0 H PHE A 69 -5.721 8.597 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.857 10.166 -3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.016 11.510 -4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.047 10.946 -5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.508 12.421 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.687 12.422 -6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.080 14.253 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.263 14.252 -6.062 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.462 15.172 -3.785 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.480 8.767 -4.387 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.419 7.896 -5.101 1.00 0.00 C ATOM 1157 C PRO A 70 -10.770 8.435 -6.485 1.00 0.00 C ATOM 1158 O PRO A 70 -11.158 9.595 -6.628 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.668 7.880 -4.206 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.215 8.409 -2.887 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.092 9.356 -3.185 1.00 0.00 C ATOM 0 HA PRO A 70 -9.994 6.907 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.461 8.499 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.069 6.871 -4.108 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.029 8.919 -2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.881 7.601 -2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.454 10.367 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.384 9.417 -2.359 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.499 4.429 -5.659 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.421 3.919 -4.817 1.00 0.00 C ATOM 1541 C VAL A 94 -10.059 4.372 -5.328 1.00 0.00 C ATOM 1542 O VAL A 94 -9.953 4.985 -6.390 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.431 2.380 -4.745 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.454 1.891 -3.733 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.699 1.779 -6.117 1.00 0.00 C ATOM 0 HA VAL A 94 -11.593 4.325 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.446 2.050 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.442 0.802 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.208 2.286 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.447 2.234 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.702 0.691 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.668 2.121 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.919 2.094 -6.811 1.00 0.00 H new ATOM 1555 N ALA A 95 -9.017 4.055 -4.566 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.655 4.417 -4.939 1.00 0.00 C ATOM 1557 C ALA A 95 -6.777 3.175 -5.030 1.00 0.00 C ATOM 1558 O ALA A 95 -6.350 2.628 -4.011 1.00 0.00 O ATOM 1559 CB ALA A 95 -7.078 5.407 -3.938 1.00 0.00 C ATOM 0 H ALA A 95 -9.091 3.547 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.679 4.891 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.061 5.668 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.693 6.307 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.067 4.956 -2.946 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.515 2.728 -6.253 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.694 1.543 -6.476 1.00 0.00 C ATOM 1567 C VAL A 96 -4.310 1.702 -5.856 1.00 0.00 C ATOM 1568 O VAL A 96 -3.623 2.696 -6.091 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.538 1.231 -7.977 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -4.986 -0.172 -8.171 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.867 1.391 -8.702 1.00 0.00 C ATOM 0 H VAL A 96 -6.859 3.168 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.212 0.714 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.832 1.942 -8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.881 -0.378 -9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.011 -0.249 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.669 -0.896 -7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.734 1.166 -9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.599 0.706 -8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.221 2.416 -8.591 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.910 0.713 -5.064 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.608 0.736 -4.407 1.00 0.00 C ATOM 1583 C VAL A 97 -1.824 -0.540 -4.702 1.00 0.00 C ATOM 1584 O VAL A 97 -2.402 -1.568 -5.049 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.753 0.890 -2.882 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.391 1.073 -2.231 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.670 2.054 -2.544 1.00 0.00 C ATOM 0 H VAL A 97 -4.469 -0.115 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.067 1.595 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.201 -0.022 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.514 1.180 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.768 0.203 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.913 1.967 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.759 2.145 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.255 2.975 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.656 1.878 -2.975 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.505 -0.463 -4.561 1.00 0.00 N ATOM 1598 CA LYS A 98 0.361 -1.610 -4.808 1.00 0.00 C ATOM 1599 C LYS A 98 1.334 -1.814 -3.647 1.00 0.00 C ATOM 1600 O LYS A 98 1.639 -0.877 -2.911 1.00 0.00 O ATOM 1601 CB LYS A 98 1.136 -1.418 -6.114 1.00 0.00 C ATOM 1602 CG LYS A 98 0.589 -2.237 -7.272 1.00 0.00 C ATOM 1603 CD LYS A 98 1.687 -2.620 -8.251 1.00 0.00 C ATOM 1604 CE LYS A 98 2.167 -4.043 -8.021 1.00 0.00 C ATOM 1605 NZ LYS A 98 1.092 -5.041 -8.283 1.00 0.00 N ATOM 0 H LYS A 98 -0.012 0.383 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.265 -2.498 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.118 -0.363 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.180 -1.687 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.112 -3.139 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.180 -1.666 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.317 -2.520 -9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.525 -1.931 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.019 -4.248 -8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.516 -4.147 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.518 -5.936 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.550 -5.204 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.457 -4.681 -9.023 1.00 0.00 H new ATOM 1619 N PRO A 99 1.841 -3.048 -3.472 1.00 0.00 N ATOM 1620 CA PRO A 99 2.787 -3.371 -2.401 1.00 0.00 C ATOM 1621 C PRO A 99 3.954 -2.393 -2.355 1.00 0.00 C ATOM 1622 O PRO A 99 4.706 -2.258 -3.321 1.00 0.00 O ATOM 1623 CB PRO A 99 3.278 -4.785 -2.751 1.00 0.00 C ATOM 1624 CG PRO A 99 2.767 -5.066 -4.127 1.00 0.00 C ATOM 1625 CD PRO A 99 1.541 -4.219 -4.302 1.00 0.00 C ATOM 0 HA PRO A 99 2.321 -3.310 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.366 -4.840 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.901 -5.517 -2.037 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.518 -4.822 -4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.529 -6.123 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.382 -3.946 -5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.641 -4.734 -3.966 1.00 0.00 H new ATOM 1633 N GLY A 100 4.093 -1.704 -1.227 1.00 0.00 N ATOM 1634 CA GLY A 100 5.162 -0.736 -1.077 1.00 0.00 C ATOM 1635 C GLY A 100 4.700 0.672 -1.395 1.00 0.00 C ATOM 1636 O GLY A 100 5.470 1.484 -1.909 1.00 0.00 O ATOM 0 H GLY A 100 3.484 -1.799 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.543 -0.771 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.989 -1.004 -1.735 1.00 0.00 H new ATOM 1640 N ARG A 101 3.435 0.957 -1.101 1.00 0.00 N ATOM 1641 CA ARG A 101 2.864 2.275 -1.374 1.00 0.00 C ATOM 1642 C ARG A 101 2.524 3.020 -0.086 1.00 0.00 C ATOM 1643 O ARG A 101 1.653 2.598 0.673 1.00 0.00 O ATOM 1644 CB ARG A 101 1.603 2.131 -2.224 1.00 0.00 C ATOM 1645 CG ARG A 101 1.129 3.439 -2.834 1.00 0.00 C ATOM 1646 CD ARG A 101 1.951 3.807 -4.056 1.00 0.00 C ATOM 1647 NE ARG A 101 1.471 5.033 -4.690 1.00 0.00 N ATOM 1648 CZ ARG A 101 2.200 5.771 -5.524 1.00 0.00 C ATOM 1649 NH1 ARG A 101 3.439 5.409 -5.831 1.00 0.00 N ATOM 1650 NH2 ARG A 101 1.688 6.873 -6.053 1.00 0.00 N ATOM 0 H ARG A 101 2.786 0.296 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 101 3.613 2.853 -1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.793 1.415 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.805 1.717 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.078 3.354 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.199 4.235 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.994 3.933 -3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.917 2.989 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 101 0.521 5.341 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.837 4.561 -5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.993 5.978 -6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.736 7.155 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.246 7.439 -6.692 1.00 0.00 H new ATOM 1664 N VAL A 102 3.205 4.140 0.143 1.00 0.00 N ATOM 1665 CA VAL A 102 2.962 4.956 1.329 1.00 0.00 C ATOM 1666 C VAL A 102 1.774 5.889 1.102 1.00 0.00 C ATOM 1667 O VAL A 102 1.920 6.965 0.524 1.00 0.00 O ATOM 1668 CB VAL A 102 4.200 5.798 1.696 1.00 0.00 C ATOM 1669 CG1 VAL A 102 4.009 6.471 3.048 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.456 4.937 1.693 1.00 0.00 C ATOM 0 H VAL A 102 3.929 4.503 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 102 2.744 4.275 2.152 1.00 0.00 H new ATOM 0 HB VAL A 102 4.321 6.576 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.894 7.061 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.137 7.124 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.859 5.711 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.318 5.550 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.348 4.133 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.602 4.510 0.701 1.00 0.00 H new ATOM 1680 N MET A 103 0.596 5.459 1.547 1.00 0.00 N ATOM 1681 CA MET A 103 -0.621 6.250 1.375 1.00 0.00 C ATOM 1682 C MET A 103 -0.817 7.250 2.513 1.00 0.00 C ATOM 1683 O MET A 103 -1.477 8.274 2.337 1.00 0.00 O ATOM 1684 CB MET A 103 -1.841 5.331 1.275 1.00 0.00 C ATOM 1685 CG MET A 103 -1.868 4.234 2.329 1.00 0.00 C ATOM 1686 SD MET A 103 -1.458 2.612 1.656 1.00 0.00 S ATOM 1687 CE MET A 103 -2.132 1.542 2.925 1.00 0.00 C ATOM 0 H MET A 103 0.458 4.570 2.028 1.00 0.00 H new ATOM 0 HA MET A 103 -0.513 6.815 0.449 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.746 5.932 1.365 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.860 4.873 0.286 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.164 4.482 3.123 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.859 4.195 2.782 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.320 1.009 3.421 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.673 2.142 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.813 0.823 2.470 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.250 6.954 3.679 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.381 7.843 4.831 1.00 0.00 C ATOM 1699 C PHE A 104 0.984 8.247 5.376 1.00 0.00 C ATOM 1700 O PHE A 104 1.951 7.493 5.276 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.198 7.171 5.937 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.670 7.102 5.646 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.184 6.099 4.840 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.539 8.036 6.184 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.539 6.030 4.575 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.895 7.973 5.922 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.395 6.968 5.117 1.00 0.00 C ATOM 0 H PHE A 104 0.300 6.113 3.852 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.899 8.742 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.820 6.161 6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.046 7.715 6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.519 5.363 4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.153 8.823 6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.927 5.244 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.562 8.709 6.346 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.454 6.916 4.912 1.00 0.00 H new ATOM 1717 N GLU A 105 1.051 9.443 5.953 1.00 0.00 N ATOM 1718 CA GLU A 105 2.292 9.959 6.520 1.00 0.00 C ATOM 1719 C GLU A 105 1.999 10.933 7.658 1.00 0.00 C ATOM 1720 O GLU A 105 1.238 11.886 7.489 1.00 0.00 O ATOM 1721 CB GLU A 105 3.120 10.660 5.442 1.00 0.00 C ATOM 1722 CG GLU A 105 3.764 9.707 4.447 1.00 0.00 C ATOM 1723 CD GLU A 105 3.053 9.697 3.108 1.00 0.00 C ATOM 1724 OE1 GLU A 105 2.089 8.919 2.952 1.00 0.00 O ATOM 1725 OE2 GLU A 105 3.461 10.470 2.214 1.00 0.00 O ATOM 0 H GLU A 105 0.256 10.076 6.040 1.00 0.00 H new ATOM 0 HA GLU A 105 2.860 9.117 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.480 11.357 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.900 11.250 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.806 9.991 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.764 8.699 4.862 1.00 0.00 H new ATOM 1732 N VAL A 106 2.606 10.692 8.816 1.00 0.00 N ATOM 1733 CA VAL A 106 2.405 11.556 9.974 1.00 0.00 C ATOM 1734 C VAL A 106 3.714 12.191 10.425 1.00 0.00 C ATOM 1735 O VAL A 106 4.795 11.679 10.138 1.00 0.00 O ATOM 1736 CB VAL A 106 1.786 10.789 11.160 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.392 10.296 10.806 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.683 9.633 11.579 1.00 0.00 C ATOM 0 H VAL A 106 3.239 9.908 8.977 1.00 0.00 H new ATOM 0 HA VAL A 106 1.713 12.337 9.659 1.00 0.00 H new ATOM 0 HB VAL A 106 1.700 11.471 12.006 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.030 9.757 11.654 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.244 11.147 10.564 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.449 9.630 9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.228 9.105 12.417 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.807 8.946 10.741 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.657 10.019 11.879 1.00 0.00 H new ATOM 1748 N ALA A 107 3.607 13.311 11.133 1.00 0.00 N ATOM 1749 CA ALA A 107 4.783 14.017 11.625 1.00 0.00 C ATOM 1750 C ALA A 107 4.468 14.785 12.905 1.00 0.00 C ATOM 1751 O ALA A 107 3.380 15.342 13.053 1.00 0.00 O ATOM 1752 CB ALA A 107 5.315 14.961 10.558 1.00 0.00 C ATOM 0 H ALA A 107 2.719 13.748 11.378 1.00 0.00 H new ATOM 0 HA ALA A 107 5.550 13.278 11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.193 15.482 10.939 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.588 14.390 9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.545 15.688 10.299 1.00 0.00 H new ATOM 1758 N GLY A 108 5.427 14.812 13.823 1.00 0.00 N ATOM 1759 CA GLY A 108 5.233 15.518 15.077 1.00 0.00 C ATOM 1760 C GLY A 108 4.803 14.601 16.204 1.00 0.00 C ATOM 1761 O GLY A 108 5.090 14.868 17.371 1.00 0.00 O ATOM 0 H GLY A 108 6.335 14.358 13.722 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.161 16.018 15.355 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.481 16.295 14.939 1.00 0.00 H new ATOM 1765 N VAL A 109 4.111 13.519 15.860 1.00 0.00 N ATOM 1766 CA VAL A 109 3.642 12.567 16.859 1.00 0.00 C ATOM 1767 C VAL A 109 4.731 11.565 17.222 1.00 0.00 C ATOM 1768 O VAL A 109 5.612 11.268 16.414 1.00 0.00 O ATOM 1769 CB VAL A 109 2.394 11.805 16.373 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.242 12.771 16.141 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.703 11.010 15.113 1.00 0.00 C ATOM 0 H VAL A 109 3.864 13.281 14.900 1.00 0.00 H new ATOM 0 HA VAL A 109 3.379 13.146 17.744 1.00 0.00 H new ATOM 0 HB VAL A 109 2.096 11.098 17.148 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.367 12.218 15.798 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.004 13.284 17.073 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.528 13.503 15.386 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.807 10.480 14.788 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.029 11.689 14.325 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.495 10.290 15.322 1.00 0.00 H new ATOM 1781 N THR A 110 4.668 11.046 18.444 1.00 0.00 N ATOM 1782 CA THR A 110 5.649 10.078 18.917 1.00 0.00 C ATOM 1783 C THR A 110 5.535 8.765 18.150 1.00 0.00 C ATOM 1784 O THR A 110 4.541 8.519 17.466 1.00 0.00 O ATOM 1785 CB THR A 110 5.465 9.824 20.415 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.333 9.009 20.650 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.294 11.094 21.220 1.00 0.00 C ATOM 0 H THR A 110 3.946 11.281 19.125 1.00 0.00 H new ATOM 0 HA THR A 110 6.642 10.493 18.744 1.00 0.00 H new ATOM 0 HB THR A 110 6.380 9.329 20.739 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.234 8.857 21.613 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.168 10.843 22.273 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.176 11.723 21.100 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.414 11.632 20.868 1.00 0.00 H new ATOM 1795 N GLU A 111 6.559 7.927 18.267 1.00 0.00 N ATOM 1796 CA GLU A 111 6.577 6.639 17.584 1.00 0.00 C ATOM 1797 C GLU A 111 5.382 5.783 17.994 1.00 0.00 C ATOM 1798 O GLU A 111 4.789 5.092 17.164 1.00 0.00 O ATOM 1799 CB GLU A 111 7.880 5.897 17.891 1.00 0.00 C ATOM 1800 CG GLU A 111 7.971 4.525 17.243 1.00 0.00 C ATOM 1801 CD GLU A 111 9.293 3.836 17.518 1.00 0.00 C ATOM 1802 OE1 GLU A 111 9.708 3.796 18.696 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.914 3.335 16.557 1.00 0.00 O ATOM 0 H GLU A 111 7.389 8.117 18.829 1.00 0.00 H new ATOM 0 HA GLU A 111 6.513 6.825 16.512 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.721 6.504 17.555 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.978 5.786 18.971 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.157 3.900 17.609 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.836 4.626 16.166 1.00 0.00 H new ATOM 1810 N GLU A 112 5.037 5.829 19.275 1.00 0.00 N ATOM 1811 CA GLU A 112 3.916 5.053 19.794 1.00 0.00 C ATOM 1812 C GLU A 112 2.593 5.533 19.203 1.00 0.00 C ATOM 1813 O GLU A 112 1.760 4.727 18.788 1.00 0.00 O ATOM 1814 CB GLU A 112 3.871 5.144 21.321 1.00 0.00 C ATOM 1815 CG GLU A 112 4.355 3.884 22.020 1.00 0.00 C ATOM 1816 CD GLU A 112 3.995 3.858 23.492 1.00 0.00 C ATOM 1817 OE1 GLU A 112 4.280 4.853 24.190 1.00 0.00 O ATOM 1818 OE2 GLU A 112 3.428 2.842 23.946 1.00 0.00 O ATOM 0 H GLU A 112 5.517 6.395 19.974 1.00 0.00 H new ATOM 0 HA GLU A 112 4.063 4.013 19.501 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.482 5.987 21.645 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.848 5.353 21.634 1.00 0.00 H new ATOM 0 HG2 GLU A 112 3.923 3.012 21.529 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.437 3.807 21.913 1.00 0.00 H new ATOM 1825 N GLN A 113 2.404 6.848 19.170 1.00 0.00 N ATOM 1826 CA GLN A 113 1.178 7.429 18.633 1.00 0.00 C ATOM 1827 C GLN A 113 1.161 7.363 17.110 1.00 0.00 C ATOM 1828 O GLN A 113 0.119 7.125 16.500 1.00 0.00 O ATOM 1829 CB GLN A 113 1.035 8.881 19.093 1.00 0.00 C ATOM 1830 CG GLN A 113 1.154 9.057 20.598 1.00 0.00 C ATOM 1831 CD GLN A 113 -0.162 8.841 21.316 1.00 0.00 C ATOM 1832 OE1 GLN A 113 -1.225 8.817 20.695 1.00 0.00 O ATOM 1833 NE2 GLN A 113 -0.100 8.684 22.634 1.00 0.00 N ATOM 0 H GLN A 113 3.082 7.531 19.508 1.00 0.00 H new ATOM 0 HA GLN A 113 0.337 6.848 19.011 1.00 0.00 H new ATOM 0 HB2 GLN A 113 1.799 9.485 18.603 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.068 9.263 18.766 1.00 0.00 H new ATOM 0 HG2 GLN A 113 1.894 8.356 20.985 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.521 10.060 20.815 1.00 0.00 H new ATOM 0 HE21 GLN A 113 0.802 8.711 23.109 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -0.955 8.537 23.171 1.00 0.00 H new ATOM 1842 N ALA A 114 2.321 7.579 16.501 1.00 0.00 N ATOM 1843 CA ALA A 114 2.441 7.549 15.048 1.00 0.00 C ATOM 1844 C ALA A 114 2.316 6.127 14.509 1.00 0.00 C ATOM 1845 O ALA A 114 1.568 5.876 13.564 1.00 0.00 O ATOM 1846 CB ALA A 114 3.764 8.161 14.622 1.00 0.00 C ATOM 0 H ALA A 114 3.193 7.777 16.992 1.00 0.00 H new ATOM 0 HA ALA A 114 1.624 8.136 14.629 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.844 8.134 13.535 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.814 9.195 14.964 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.585 7.594 15.061 1.00 0.00 H new ATOM 1852 N MET A 115 3.050 5.200 15.113 1.00 0.00 N ATOM 1853 CA MET A 115 3.016 3.805 14.688 1.00 0.00 C ATOM 1854 C MET A 115 1.619 3.222 14.863 1.00 0.00 C ATOM 1855 O MET A 115 1.072 2.612 13.944 1.00 0.00 O ATOM 1856 CB MET A 115 4.030 2.980 15.483 1.00 0.00 C ATOM 1857 CG MET A 115 5.477 3.312 15.151 1.00 0.00 C ATOM 1858 SD MET A 115 6.338 1.949 14.342 1.00 0.00 S ATOM 1859 CE MET A 115 7.572 2.841 13.398 1.00 0.00 C ATOM 0 H MET A 115 3.675 5.388 15.897 1.00 0.00 H new ATOM 0 HA MET A 115 3.279 3.766 13.631 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.863 3.143 16.548 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.855 1.921 15.291 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.505 4.189 14.504 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.004 3.576 16.068 1.00 0.00 H new ATOM 0 HE1 MET A 115 8.116 2.144 12.760 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.083 3.593 12.779 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.269 3.329 14.079 1.00 0.00 H new ATOM 1869 N GLU A 116 1.046 3.418 16.045 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.291 2.915 16.334 1.00 0.00 C ATOM 1871 C GLU A 116 -1.318 3.564 15.413 1.00 0.00 C ATOM 1872 O GLU A 116 -2.143 2.879 14.810 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.656 3.184 17.795 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.649 2.186 18.367 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.396 1.887 19.831 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.243 1.560 20.181 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.353 1.982 20.630 1.00 0.00 O ATOM 0 H GLU A 116 1.485 3.920 16.817 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.297 1.839 16.160 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.252 3.166 18.397 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.073 4.188 17.878 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.660 2.576 18.249 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.597 1.259 17.796 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.258 4.887 15.308 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.181 5.628 14.457 1.00 0.00 C ATOM 1886 C ALA A 117 -2.101 5.143 13.014 1.00 0.00 C ATOM 1887 O ALA A 117 -3.121 4.858 12.386 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.887 7.118 14.531 1.00 0.00 C ATOM 0 H ALA A 117 -0.580 5.468 15.801 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.194 5.451 14.819 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.584 7.659 13.891 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.999 7.460 15.560 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.867 7.305 14.196 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.882 5.040 12.497 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.671 4.577 11.131 1.00 0.00 C ATOM 1896 C LEU A 118 -1.215 3.163 10.959 1.00 0.00 C ATOM 1897 O LEU A 118 -1.662 2.785 9.876 1.00 0.00 O ATOM 1898 CB LEU A 118 0.821 4.616 10.782 1.00 0.00 C ATOM 1899 CG LEU A 118 1.313 5.888 10.074 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.434 7.086 10.405 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.759 6.175 10.450 1.00 0.00 C ATOM 0 H LEU A 118 -0.026 5.270 13.002 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.207 5.241 10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.393 4.492 11.702 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.048 3.760 10.147 1.00 0.00 H new ATOM 0 HG LEU A 118 1.252 5.716 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.811 7.968 9.887 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.589 6.887 10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.449 7.262 11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.095 7.079 9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.833 6.317 11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.386 5.336 10.150 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.177 2.389 12.039 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.670 1.017 12.016 1.00 0.00 C ATOM 1915 C ARG A 119 -3.196 0.994 12.002 1.00 0.00 C ATOM 1916 O ARG A 119 -3.808 0.182 11.309 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.142 0.245 13.227 1.00 0.00 C ATOM 1918 CG ARG A 119 -0.352 -1.000 12.857 1.00 0.00 C ATOM 1919 CD ARG A 119 0.567 -1.433 13.988 1.00 0.00 C ATOM 1920 NE ARG A 119 -0.175 -2.024 15.100 1.00 0.00 N ATOM 1921 CZ ARG A 119 0.378 -2.793 16.035 1.00 0.00 C ATOM 1922 NH1 ARG A 119 1.677 -3.066 15.997 1.00 0.00 N ATOM 1923 NH2 ARG A 119 -0.368 -3.289 17.011 1.00 0.00 N ATOM 0 H ARG A 119 -0.809 2.689 12.942 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.309 0.537 11.106 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.508 0.905 13.820 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.982 -0.042 13.859 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -1.040 -1.810 12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.238 -0.805 11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.291 -2.155 13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.132 -0.572 14.346 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.176 -1.836 15.163 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.256 -2.686 15.249 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.095 -3.656 16.716 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.366 -3.082 17.046 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.056 -3.878 17.728 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.804 1.896 12.770 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.260 1.983 12.842 1.00 0.00 C ATOM 1939 C ILE A 120 -5.860 2.157 11.450 1.00 0.00 C ATOM 1940 O ILE A 120 -6.894 1.571 11.130 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.709 3.153 13.746 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.232 2.925 15.181 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.222 3.319 13.712 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -5.083 4.204 15.977 1.00 0.00 C ATOM 0 H ILE A 120 -3.312 2.575 13.350 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.620 1.050 13.275 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.259 4.070 13.365 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.938 2.269 15.690 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.274 2.406 15.159 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.512 4.149 14.357 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.543 3.524 12.691 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.697 2.403 14.065 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.742 3.968 16.985 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.355 4.853 15.490 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.045 4.714 16.030 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.200 2.964 10.625 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.664 3.208 9.266 1.00 0.00 C ATOM 1958 C ALA A 121 -5.653 1.920 8.453 1.00 0.00 C ATOM 1959 O ALA A 121 -6.609 1.615 7.740 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.801 4.266 8.594 1.00 0.00 C ATOM 0 H ALA A 121 -4.344 3.459 10.874 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.690 3.573 9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.160 4.438 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.857 5.195 9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.767 3.924 8.560 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.566 1.164 8.573 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.447 -0.088 7.848 1.00 0.00 C ATOM 1968 C GLY A 122 -5.349 -1.171 8.409 1.00 0.00 C ATOM 1969 O GLY A 122 -5.682 -2.130 7.713 1.00 0.00 O ATOM 0 H GLY A 122 -3.765 1.396 9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.693 0.078 6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.412 -0.427 7.883 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.746 -1.018 9.669 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.616 -1.993 10.318 1.00 0.00 C ATOM 1975 C HIS A 123 -7.924 -2.151 9.549 1.00 0.00 C ATOM 1976 O HIS A 123 -8.431 -3.261 9.387 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.904 -1.569 11.761 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.131 -2.350 12.778 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -6.674 -3.392 13.500 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -4.847 -2.236 13.194 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -5.759 -3.885 14.315 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -4.641 -3.202 14.149 1.00 0.00 N ATOM 0 H HIS A 123 -5.480 -0.230 10.260 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.103 -2.955 10.326 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.671 -0.510 11.874 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.970 -1.684 11.959 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -4.120 -1.519 12.841 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.901 -4.707 15.001 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -3.767 -3.365 14.649 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.463 -1.033 9.072 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.710 -1.050 8.315 1.00 0.00 C ATOM 1993 C LYS A 124 -9.451 -1.243 6.822 1.00 0.00 C ATOM 1994 O LYS A 124 -10.387 -1.274 6.022 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.491 0.244 8.547 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.756 1.493 8.088 1.00 0.00 C ATOM 1997 CD LYS A 124 -10.548 2.749 8.407 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.567 3.032 9.901 1.00 0.00 C ATOM 1999 NZ LYS A 124 -11.885 3.555 10.351 1.00 0.00 N ATOM 0 H LYS A 124 -8.057 -0.106 9.196 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.302 -1.894 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.445 0.181 8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.717 0.336 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.781 1.542 8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -9.576 1.437 7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -10.113 3.598 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.570 2.638 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.334 2.117 10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -9.788 3.755 10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.856 3.735 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.096 4.441 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.626 2.855 10.143 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.180 -1.379 6.448 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.813 -1.576 5.050 1.00 0.00 C ATOM 2015 C LEU A 125 -7.913 -3.051 4.673 1.00 0.00 C ATOM 2016 O LEU A 125 -7.795 -3.928 5.528 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.390 -1.072 4.794 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.239 0.449 4.713 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.791 0.831 4.439 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.156 1.021 3.641 1.00 0.00 C ATOM 0 H LEU A 125 -7.390 -1.356 7.093 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.507 -1.006 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.742 -1.443 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.031 -1.506 3.861 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.528 0.873 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.705 1.916 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.157 0.456 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.472 0.394 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.035 2.103 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.899 0.589 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.192 0.781 3.882 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.138 -3.347 3.382 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.258 -4.717 2.893 1.00 0.00 C ATOM 2034 C PRO A 126 -6.909 -5.331 2.520 1.00 0.00 C ATOM 2035 O PRO A 126 -6.845 -6.268 1.723 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.127 -4.544 1.653 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.751 -3.202 1.114 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.300 -2.367 2.291 1.00 0.00 C ATOM 0 HA PRO A 126 -8.668 -5.393 3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.938 -5.331 0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.187 -4.588 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -7.954 -3.292 0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.599 -2.736 0.612 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.365 -1.849 2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.036 -1.605 2.545 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.834 -4.801 3.097 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.493 -5.301 2.820 1.00 0.00 C ATOM 2048 C ILE A 127 -3.561 -5.065 4.004 1.00 0.00 C ATOM 2049 O ILE A 127 -3.890 -4.319 4.926 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.895 -4.638 1.564 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.107 -3.124 1.605 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.518 -5.231 0.310 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.165 -2.407 2.547 1.00 0.00 C ATOM 0 H ILE A 127 -5.867 -4.026 3.759 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.585 -6.373 2.645 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.823 -4.832 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.980 -2.720 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.134 -2.917 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.087 -4.754 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.319 -6.302 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.595 -5.062 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.373 -1.337 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.307 -2.783 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.135 -2.583 2.236 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.398 -5.709 3.973 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.420 -5.575 5.047 1.00 0.00 C ATOM 2067 C LYS A 128 -0.575 -4.315 4.873 1.00 0.00 C ATOM 2068 O LYS A 128 -0.068 -4.039 3.786 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.514 -6.807 5.095 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.287 -7.341 6.501 1.00 0.00 C ATOM 2071 CD LYS A 128 0.365 -6.299 7.395 1.00 0.00 C ATOM 2072 CE LYS A 128 1.187 -6.946 8.500 1.00 0.00 C ATOM 2073 NZ LYS A 128 2.532 -6.320 8.632 1.00 0.00 N ATOM 0 H LYS A 128 -2.110 -6.329 3.216 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.965 -5.492 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.953 -7.595 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.449 -6.557 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.240 -7.647 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.343 -8.229 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 128 1.006 -5.653 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.404 -5.665 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 128 0.653 -6.861 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 128 1.301 -8.010 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 3.060 -6.789 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 3.052 -6.423 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 2.424 -5.310 8.856 1.00 0.00 H new ATOM 2087 N THR A 129 -0.427 -3.558 5.955 1.00 0.00 N ATOM 2088 CA THR A 129 0.359 -2.329 5.934 1.00 0.00 C ATOM 2089 C THR A 129 1.260 -2.247 7.162 1.00 0.00 C ATOM 2090 O THR A 129 0.963 -2.838 8.200 1.00 0.00 O ATOM 2091 CB THR A 129 -0.560 -1.106 5.885 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.161 -0.882 7.148 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.670 -1.223 4.863 1.00 0.00 C ATOM 0 H THR A 129 -0.843 -3.775 6.861 1.00 0.00 H new ATOM 0 HA THR A 129 0.982 -2.341 5.040 1.00 0.00 H new ATOM 0 HB THR A 129 0.085 -0.275 5.598 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.730 -1.645 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.281 -0.321 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.238 -1.346 3.870 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.291 -2.087 5.098 1.00 0.00 H new ATOM 2101 N LYS A 130 2.364 -1.514 7.042 1.00 0.00 N ATOM 2102 CA LYS A 130 3.299 -1.366 8.152 1.00 0.00 C ATOM 2103 C LYS A 130 3.799 0.072 8.265 1.00 0.00 C ATOM 2104 O LYS A 130 3.756 0.833 7.298 1.00 0.00 O ATOM 2105 CB LYS A 130 4.485 -2.317 7.979 1.00 0.00 C ATOM 2106 CG LYS A 130 5.115 -2.260 6.598 1.00 0.00 C ATOM 2107 CD LYS A 130 6.627 -2.401 6.665 1.00 0.00 C ATOM 2108 CE LYS A 130 7.296 -1.829 5.425 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.781 -1.903 5.509 1.00 0.00 N ATOM 0 H LYS A 130 2.631 -1.016 6.193 1.00 0.00 H new ATOM 0 HA LYS A 130 2.769 -1.617 9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.243 -2.078 8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.154 -3.337 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.702 -3.055 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.858 -1.315 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.002 -1.889 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.891 -3.453 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.955 -2.374 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.991 -0.791 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.198 -1.503 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.109 -1.362 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.074 -2.896 5.607 1.00 0.00 H new ATOM 2123 N ILE A 131 4.278 0.434 9.452 1.00 0.00 N ATOM 2124 CA ILE A 131 4.793 1.779 9.694 1.00 0.00 C ATOM 2125 C ILE A 131 6.253 1.880 9.271 1.00 0.00 C ATOM 2126 O ILE A 131 7.053 0.990 9.562 1.00 0.00 O ATOM 2127 CB ILE A 131 4.688 2.185 11.181 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.473 1.532 11.847 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.623 3.702 11.313 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.166 1.815 11.143 1.00 0.00 C ATOM 0 H ILE A 131 4.320 -0.185 10.262 1.00 0.00 H new ATOM 0 HA ILE A 131 4.178 2.456 9.101 1.00 0.00 H new ATOM 0 HB ILE A 131 5.581 1.829 11.694 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.628 0.454 11.886 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.403 1.882 12.877 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.549 3.973 12.366 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.524 4.143 10.887 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.749 4.076 10.780 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.353 1.319 11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.987 2.890 11.127 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.215 1.440 10.121 1.00 0.00 H new ATOM 2142 N VAL A 132 6.601 2.966 8.592 1.00 0.00 N ATOM 2143 CA VAL A 132 7.972 3.168 8.146 1.00 0.00 C ATOM 2144 C VAL A 132 8.394 4.629 8.285 1.00 0.00 C ATOM 2145 O VAL A 132 7.655 5.542 7.918 1.00 0.00 O ATOM 2146 CB VAL A 132 8.173 2.708 6.686 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.548 1.339 6.467 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.599 3.723 5.709 1.00 0.00 C ATOM 0 H VAL A 132 5.957 3.716 8.340 1.00 0.00 H new ATOM 0 HA VAL A 132 8.602 2.556 8.791 1.00 0.00 H new ATOM 0 HB VAL A 132 9.244 2.632 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.700 1.031 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.016 0.615 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.480 1.389 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.754 3.374 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.531 3.842 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.099 4.682 5.844 1.00 0.00 H new ATOM 2158 N ARG A 133 9.589 4.830 8.818 1.00 0.00 N ATOM 2159 CA ARG A 133 10.136 6.167 9.016 1.00 0.00 C ATOM 2160 C ARG A 133 10.669 6.741 7.716 1.00 0.00 C ATOM 2161 O ARG A 133 10.872 6.015 6.744 1.00 0.00 O ATOM 2162 CB ARG A 133 11.272 6.134 10.029 1.00 0.00 C ATOM 2163 CG ARG A 133 11.125 7.150 11.150 1.00 0.00 C ATOM 2164 CD ARG A 133 11.628 6.595 12.474 1.00 0.00 C ATOM 2165 NE ARG A 133 11.352 7.499 13.588 1.00 0.00 N ATOM 2166 CZ ARG A 133 12.083 8.575 13.867 1.00 0.00 C ATOM 2167 NH1 ARG A 133 13.133 8.887 13.118 1.00 0.00 N ATOM 2168 NH2 ARG A 133 11.762 9.344 14.900 1.00 0.00 N ATOM 0 H ARG A 133 10.205 4.077 9.125 1.00 0.00 H new ATOM 0 HA ARG A 133 9.325 6.796 9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.331 5.135 10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.214 6.313 9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.680 8.054 10.899 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.078 7.436 11.248 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.157 5.631 12.665 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.702 6.418 12.408 1.00 0.00 H new ATOM 0 HE ARG A 133 10.552 7.293 14.187 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.384 8.300 12.322 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.689 9.714 13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 133 10.956 9.110 15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.322 10.169 15.115 1.00 0.00 H new