USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 834 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 125 THR OG1 : rot 180:sc= 1.02 USER MOD Set 1.2: A 128 GLN : amide:sc= 1.21 K(o=2.2,f=0.74) USER MOD Set 2.1: A 108 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Set 2.2: A 112 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0363) USER MOD Single : A 35 HIS : no HE2:sc= -0.654 K(o=-0.65,f=-3) USER MOD Single : A 37 GLN : amide:sc= 0.96 K(o=0.96,f=-0.38) USER MOD Single : A 40 TYR OH : rot -150:sc= 0.767 USER MOD Single : A 50 SER OG : rot 83:sc= 0.828 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 54 GLN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.323 K(o=-0.32,f=-1.4) USER MOD Single : A 65 LYS NZ :NH3+ -117:sc= 0.464 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.62! C(o=-1.6!,f=-2.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 165:sc= -0.0875 (180deg=-0.454) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.447! X(o=-0.45!,f=-0.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 100 GLN : amide:sc= -0.981! C(o=-0.98!,f=-9.5!) USER MOD Single : A 105 SER OG : rot -106:sc= 0.0408 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.19) USER MOD Single : A 122 SER OG : rot -88:sc= -1.06! USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 GLN :FLIP amide:sc= -0.499 F(o=-2.2!,f=-0.5) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 MET CE :methyl 154:sc= 0 (180deg=-0.763) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 CYS SG : rot -36:sc= 0.805 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 540 N LYS A 34 -8.677 1.005 -8.796 1.00 0.00 N ATOM 541 CA LYS A 34 -8.217 -0.014 -9.745 1.00 0.00 C ATOM 542 C LYS A 34 -6.946 -0.722 -9.262 1.00 0.00 C ATOM 543 O LYS A 34 -5.847 -0.179 -9.357 1.00 0.00 O ATOM 544 CB LYS A 34 -7.973 0.634 -11.110 1.00 0.00 C ATOM 545 CG LYS A 34 -7.673 -0.356 -12.227 1.00 0.00 C ATOM 546 CD LYS A 34 -7.417 0.359 -13.546 1.00 0.00 C ATOM 547 CE LYS A 34 -7.155 -0.620 -14.682 1.00 0.00 C ATOM 548 NZ LYS A 34 -8.371 -1.396 -15.053 1.00 0.00 N ATOM 0 HA LYS A 34 -8.996 -0.772 -9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.851 1.219 -11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.140 1.332 -11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.802 -0.955 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.511 -1.044 -12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.277 0.981 -13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.562 1.026 -13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.796 -0.073 -15.554 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.363 -1.309 -14.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.176 -1.961 -15.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.631 -2.029 -14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.156 -0.741 -15.244 1.00 0.00 H new ATOM 562 N HIS A 35 -7.119 -1.933 -8.726 1.00 0.00 N ATOM 563 CA HIS A 35 -6.015 -2.737 -8.197 1.00 0.00 C ATOM 564 C HIS A 35 -6.401 -4.209 -8.169 1.00 0.00 C ATOM 565 O HIS A 35 -7.445 -4.594 -8.697 1.00 0.00 O ATOM 566 CB HIS A 35 -5.635 -2.304 -6.772 1.00 0.00 C ATOM 567 CG HIS A 35 -4.867 -1.025 -6.702 1.00 0.00 C ATOM 568 ND1 HIS A 35 -5.397 0.140 -6.204 1.00 0.00 N ATOM 569 CD2 HIS A 35 -3.599 -0.734 -7.065 1.00 0.00 C ATOM 570 CE1 HIS A 35 -4.491 1.093 -6.265 1.00 0.00 C ATOM 571 NE2 HIS A 35 -3.387 0.592 -6.787 1.00 0.00 N ATOM 0 H HIS A 35 -8.030 -2.384 -8.647 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.159 -2.583 -8.855 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.545 -2.200 -6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.044 -3.095 -6.310 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.345 0.250 -5.843 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.884 -1.419 -7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.628 2.114 -5.942 1.00 0.00 H new ATOM 580 N GLY A 36 -5.554 -5.021 -7.545 1.00 0.00 N ATOM 581 CA GLY A 36 -5.852 -6.427 -7.370 1.00 0.00 C ATOM 582 C GLY A 36 -6.209 -6.747 -5.930 1.00 0.00 C ATOM 583 O GLY A 36 -6.783 -5.910 -5.235 1.00 0.00 O ATOM 0 H GLY A 36 -4.659 -4.725 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.679 -6.708 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.991 -7.023 -7.673 1.00 0.00 H new ATOM 587 N GLN A 37 -5.854 -7.945 -5.477 1.00 0.00 N ATOM 588 CA GLN A 37 -6.167 -8.366 -4.115 1.00 0.00 C ATOM 589 C GLN A 37 -5.008 -8.046 -3.173 1.00 0.00 C ATOM 590 O GLN A 37 -5.111 -7.172 -2.315 1.00 0.00 O ATOM 591 CB GLN A 37 -6.485 -9.862 -4.076 1.00 0.00 C ATOM 592 CG GLN A 37 -7.098 -10.315 -2.763 1.00 0.00 C ATOM 593 CD GLN A 37 -7.303 -11.815 -2.689 1.00 0.00 C ATOM 594 OE1 GLN A 37 -7.505 -12.483 -3.707 1.00 0.00 O ATOM 595 NE2 GLN A 37 -7.268 -12.353 -1.480 1.00 0.00 N ATOM 0 H GLN A 37 -5.351 -8.639 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.046 -7.815 -3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.170 -10.102 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.569 -10.425 -4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.455 -10.001 -1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.057 -9.816 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.098 -11.764 -0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.411 -13.356 -1.364 1.00 0.00 H new ATOM 604 N PHE A 38 -3.904 -8.762 -3.340 1.00 0.00 N ATOM 605 CA PHE A 38 -2.693 -8.513 -2.566 1.00 0.00 C ATOM 606 C PHE A 38 -1.663 -7.817 -3.441 1.00 0.00 C ATOM 607 O PHE A 38 -1.045 -8.447 -4.299 1.00 0.00 O ATOM 608 CB PHE A 38 -2.116 -9.825 -2.030 1.00 0.00 C ATOM 609 CG PHE A 38 -2.620 -10.209 -0.668 1.00 0.00 C ATOM 610 CD1 PHE A 38 -3.923 -10.647 -0.484 1.00 0.00 C ATOM 611 CD2 PHE A 38 -1.779 -10.139 0.432 1.00 0.00 C ATOM 612 CE1 PHE A 38 -4.376 -11.005 0.773 1.00 0.00 C ATOM 613 CE2 PHE A 38 -2.227 -10.494 1.689 1.00 0.00 C ATOM 614 CZ PHE A 38 -3.527 -10.927 1.859 1.00 0.00 C ATOM 0 H PHE A 38 -3.821 -9.526 -4.010 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.944 -7.874 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.352 -10.626 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.030 -9.743 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.591 -10.709 -1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.761 -9.803 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.393 -11.345 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.562 -10.433 2.538 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.880 -11.205 2.841 1.00 0.00 H new ATOM 624 N ILE A 39 -1.487 -6.522 -3.237 1.00 0.00 N ATOM 625 CA ILE A 39 -0.626 -5.729 -4.101 1.00 0.00 C ATOM 626 C ILE A 39 0.470 -5.016 -3.311 1.00 0.00 C ATOM 627 O ILE A 39 0.190 -4.251 -2.384 1.00 0.00 O ATOM 628 CB ILE A 39 -1.443 -4.677 -4.884 1.00 0.00 C ATOM 629 CG1 ILE A 39 -2.524 -5.352 -5.740 1.00 0.00 C ATOM 630 CG2 ILE A 39 -0.533 -3.823 -5.752 1.00 0.00 C ATOM 631 CD1 ILE A 39 -1.981 -6.329 -6.765 1.00 0.00 C ATOM 0 H ILE A 39 -1.928 -5.997 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.160 -6.425 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.935 -4.027 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.216 -5.878 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.097 -4.582 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.130 -3.090 -6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.191 -3.307 -5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.007 -4.459 -6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.808 -6.762 -7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.312 -5.805 -7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.433 -7.122 -6.257 1.00 0.00 H new ATOM 643 N TYR A 40 1.711 -5.277 -3.683 1.00 0.00 N ATOM 644 CA TYR A 40 2.857 -4.583 -3.124 1.00 0.00 C ATOM 645 C TYR A 40 3.483 -3.692 -4.189 1.00 0.00 C ATOM 646 O TYR A 40 3.843 -4.160 -5.271 1.00 0.00 O ATOM 647 CB TYR A 40 3.884 -5.598 -2.609 1.00 0.00 C ATOM 648 CG TYR A 40 5.170 -4.989 -2.083 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.269 -4.555 -0.766 1.00 0.00 C ATOM 650 CD2 TYR A 40 6.287 -4.856 -2.902 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.441 -4.005 -0.281 1.00 0.00 C ATOM 652 CE2 TYR A 40 7.462 -4.309 -2.423 1.00 0.00 C ATOM 653 CZ TYR A 40 7.533 -3.884 -1.113 1.00 0.00 C ATOM 654 OH TYR A 40 8.704 -3.345 -0.631 1.00 0.00 O ATOM 0 H TYR A 40 1.953 -5.978 -4.383 1.00 0.00 H new ATOM 0 HA TYR A 40 2.532 -3.963 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.425 -6.187 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.129 -6.288 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.416 -4.649 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.235 -5.186 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.501 -3.672 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.321 -4.215 -3.071 1.00 0.00 H new ATOM 0 HH TYR A 40 9.181 -2.895 -1.359 1.00 0.00 H new ATOM 664 N VAL A 41 3.585 -2.407 -3.898 1.00 0.00 N ATOM 665 CA VAL A 41 4.237 -1.480 -4.804 1.00 0.00 C ATOM 666 C VAL A 41 5.489 -0.911 -4.148 1.00 0.00 C ATOM 667 O VAL A 41 5.472 -0.512 -2.984 1.00 0.00 O ATOM 668 CB VAL A 41 3.300 -0.334 -5.260 1.00 0.00 C ATOM 669 CG1 VAL A 41 2.159 -0.878 -6.109 1.00 0.00 C ATOM 670 CG2 VAL A 41 2.757 0.440 -4.069 1.00 0.00 C ATOM 0 H VAL A 41 3.225 -1.983 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 41 4.511 -2.038 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 41 3.887 0.354 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.513 -0.057 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.566 -1.373 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.581 -1.595 -5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.103 1.238 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.193 -0.234 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.585 0.872 -3.507 1.00 0.00 H new ATOM 680 N TRP A 42 6.582 -0.899 -4.890 1.00 0.00 N ATOM 681 CA TRP A 42 7.864 -0.479 -4.347 1.00 0.00 C ATOM 682 C TRP A 42 8.246 0.906 -4.849 1.00 0.00 C ATOM 683 O TRP A 42 9.405 1.322 -4.749 1.00 0.00 O ATOM 684 CB TRP A 42 8.944 -1.506 -4.704 1.00 0.00 C ATOM 685 CG TRP A 42 9.043 -1.816 -6.168 1.00 0.00 C ATOM 686 CD1 TRP A 42 8.287 -2.711 -6.867 1.00 0.00 C ATOM 687 CD2 TRP A 42 9.964 -1.248 -7.109 1.00 0.00 C ATOM 688 NE1 TRP A 42 8.672 -2.727 -8.184 1.00 0.00 N ATOM 689 CE2 TRP A 42 9.701 -1.841 -8.357 1.00 0.00 C ATOM 690 CE3 TRP A 42 10.985 -0.296 -7.019 1.00 0.00 C ATOM 691 CZ2 TRP A 42 10.419 -1.512 -9.504 1.00 0.00 C ATOM 692 CZ3 TRP A 42 11.697 0.029 -8.157 1.00 0.00 C ATOM 693 CH2 TRP A 42 11.412 -0.579 -9.386 1.00 0.00 C ATOM 0 H TRP A 42 6.609 -1.175 -5.871 1.00 0.00 H new ATOM 0 HA TRP A 42 7.778 -0.422 -3.262 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.909 -1.136 -4.357 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.743 -2.430 -4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.500 -3.319 -6.445 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.258 -3.305 -8.915 1.00 0.00 H new ATOM 0 HE3 TRP A 42 11.213 0.177 -6.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.199 -1.977 -10.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 12.486 0.764 -8.098 1.00 0.00 H new ATOM 0 HH2 TRP A 42 11.988 -0.306 -10.258 1.00 0.00 H new ATOM 787 N SER A 50 0.614 8.753 -0.744 1.00 0.00 N ATOM 788 CA SER A 50 -0.494 7.852 -0.426 1.00 0.00 C ATOM 789 C SER A 50 -1.778 8.240 -1.166 1.00 0.00 C ATOM 790 O SER A 50 -2.871 7.837 -0.774 1.00 0.00 O ATOM 791 CB SER A 50 -0.737 7.845 1.087 1.00 0.00 C ATOM 792 OG SER A 50 -1.169 6.574 1.530 1.00 0.00 O ATOM 0 HA SER A 50 -0.217 6.851 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.180 8.121 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.486 8.595 1.341 1.00 0.00 H new ATOM 0 HG SER A 50 -0.391 5.993 1.666 1.00 0.00 H new ATOM 798 N HIS A 51 -1.638 9.003 -2.245 1.00 0.00 N ATOM 799 CA HIS A 51 -2.782 9.455 -3.031 1.00 0.00 C ATOM 800 C HIS A 51 -3.604 8.267 -3.527 1.00 0.00 C ATOM 801 O HIS A 51 -4.813 8.204 -3.315 1.00 0.00 O ATOM 802 CB HIS A 51 -2.292 10.323 -4.205 1.00 0.00 C ATOM 803 CG HIS A 51 -3.222 10.380 -5.387 1.00 0.00 C ATOM 804 ND1 HIS A 51 -2.954 9.731 -6.571 1.00 0.00 N ATOM 805 CD2 HIS A 51 -4.406 11.010 -5.568 1.00 0.00 C ATOM 806 CE1 HIS A 51 -3.927 9.959 -7.427 1.00 0.00 C ATOM 807 NE2 HIS A 51 -4.822 10.731 -6.846 1.00 0.00 N ATOM 0 H HIS A 51 -0.736 9.324 -2.598 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.432 10.059 -2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.127 11.338 -3.843 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.327 9.943 -4.540 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.926 11.618 -4.843 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.982 9.577 -8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.684 11.067 -7.276 1.00 0.00 H new ATOM 816 N LEU A 52 -2.938 7.330 -4.177 1.00 0.00 N ATOM 817 CA LEU A 52 -3.587 6.174 -4.742 1.00 0.00 C ATOM 818 C LEU A 52 -3.959 5.160 -3.657 1.00 0.00 C ATOM 819 O LEU A 52 -4.918 4.398 -3.805 1.00 0.00 O ATOM 820 CB LEU A 52 -2.650 5.560 -5.779 1.00 0.00 C ATOM 821 CG LEU A 52 -3.130 4.270 -6.409 1.00 0.00 C ATOM 822 CD1 LEU A 52 -4.405 4.503 -7.209 1.00 0.00 C ATOM 823 CD2 LEU A 52 -2.044 3.669 -7.286 1.00 0.00 C ATOM 0 H LEU A 52 -1.929 7.355 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.520 6.472 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.484 6.291 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.685 5.376 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.356 3.562 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.733 3.563 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.184 4.883 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.212 5.229 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.407 2.742 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.783 4.373 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.162 3.460 -6.681 1.00 0.00 H new ATOM 835 N LEU A 53 -3.211 5.168 -2.557 1.00 0.00 N ATOM 836 CA LEU A 53 -3.429 4.211 -1.473 1.00 0.00 C ATOM 837 C LEU A 53 -4.693 4.539 -0.680 1.00 0.00 C ATOM 838 O LEU A 53 -5.534 3.670 -0.452 1.00 0.00 O ATOM 839 CB LEU A 53 -2.222 4.158 -0.526 1.00 0.00 C ATOM 840 CG LEU A 53 -0.966 3.477 -1.082 1.00 0.00 C ATOM 841 CD1 LEU A 53 -0.264 4.360 -2.104 1.00 0.00 C ATOM 842 CD2 LEU A 53 -0.017 3.109 0.048 1.00 0.00 C ATOM 0 H LEU A 53 -2.449 5.825 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.556 3.232 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.963 5.178 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.521 3.638 0.384 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.277 2.563 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.622 3.848 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.941 4.567 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.030 5.298 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.869 2.627 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.277 4.011 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.516 2.425 0.734 1.00 0.00 H new ATOM 854 N GLN A 54 -4.829 5.795 -0.269 1.00 0.00 N ATOM 855 CA GLN A 54 -5.982 6.222 0.520 1.00 0.00 C ATOM 856 C GLN A 54 -7.245 6.161 -0.325 1.00 0.00 C ATOM 857 O GLN A 54 -8.333 5.860 0.167 1.00 0.00 O ATOM 858 CB GLN A 54 -5.763 7.639 1.059 1.00 0.00 C ATOM 859 CG GLN A 54 -5.707 8.714 -0.014 1.00 0.00 C ATOM 860 CD GLN A 54 -5.244 10.050 0.526 1.00 0.00 C ATOM 861 OE1 GLN A 54 -6.048 10.874 0.965 1.00 0.00 O ATOM 862 NE2 GLN A 54 -3.942 10.268 0.497 1.00 0.00 N ATOM 0 H GLN A 54 -4.157 6.536 -0.468 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.098 5.547 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.567 7.879 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.833 7.660 1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.033 8.394 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.695 8.829 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.314 9.556 0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.564 11.148 0.848 1.00 0.00 H new ATOM 871 N ALA A 55 -7.078 6.449 -1.603 1.00 0.00 N ATOM 872 CA ALA A 55 -8.154 6.338 -2.572 1.00 0.00 C ATOM 873 C ALA A 55 -8.735 4.935 -2.568 1.00 0.00 C ATOM 874 O ALA A 55 -9.952 4.749 -2.508 1.00 0.00 O ATOM 875 CB ALA A 55 -7.632 6.672 -3.954 1.00 0.00 C ATOM 0 H ALA A 55 -6.193 6.766 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.942 7.041 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.442 6.588 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.244 7.691 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.834 5.978 -4.219 1.00 0.00 H new ATOM 881 N TRP A 56 -7.843 3.958 -2.622 1.00 0.00 N ATOM 882 CA TRP A 56 -8.214 2.555 -2.644 1.00 0.00 C ATOM 883 C TRP A 56 -9.039 2.204 -1.410 1.00 0.00 C ATOM 884 O TRP A 56 -9.975 1.404 -1.481 1.00 0.00 O ATOM 885 CB TRP A 56 -6.937 1.717 -2.710 1.00 0.00 C ATOM 886 CG TRP A 56 -7.146 0.239 -2.819 1.00 0.00 C ATOM 887 CD1 TRP A 56 -7.651 -0.449 -3.885 1.00 0.00 C ATOM 888 CD2 TRP A 56 -6.818 -0.740 -1.829 1.00 0.00 C ATOM 889 NE1 TRP A 56 -7.656 -1.796 -3.615 1.00 0.00 N ATOM 890 CE2 TRP A 56 -7.148 -1.998 -2.360 1.00 0.00 C ATOM 891 CE3 TRP A 56 -6.274 -0.672 -0.542 1.00 0.00 C ATOM 892 CZ2 TRP A 56 -6.951 -3.180 -1.652 1.00 0.00 C ATOM 893 CZ3 TRP A 56 -6.080 -1.847 0.159 1.00 0.00 C ATOM 894 CH2 TRP A 56 -6.415 -3.084 -0.400 1.00 0.00 C ATOM 0 H TRP A 56 -6.836 4.119 -2.652 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.830 2.344 -3.518 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.349 2.048 -3.566 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.344 1.918 -1.818 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.996 -0.000 -4.805 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.985 -2.526 -4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.011 0.280 -0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.212 -4.138 -2.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.663 -1.809 1.155 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.246 -3.984 0.172 1.00 0.00 H new ATOM 905 N VAL A 57 -8.690 2.835 -0.295 1.00 0.00 N ATOM 906 CA VAL A 57 -9.394 2.651 0.964 1.00 0.00 C ATOM 907 C VAL A 57 -10.792 3.274 0.915 1.00 0.00 C ATOM 908 O VAL A 57 -11.795 2.594 1.148 1.00 0.00 O ATOM 909 CB VAL A 57 -8.596 3.280 2.132 1.00 0.00 C ATOM 910 CG1 VAL A 57 -9.403 3.259 3.424 1.00 0.00 C ATOM 911 CG2 VAL A 57 -7.273 2.553 2.321 1.00 0.00 C ATOM 0 H VAL A 57 -7.909 3.489 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.493 1.578 1.128 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.393 4.321 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.817 3.707 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.324 3.826 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.646 2.229 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.723 3.007 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.463 1.504 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.683 2.627 1.407 1.00 0.00 H new ATOM 921 N ALA A 58 -10.850 4.560 0.588 1.00 0.00 N ATOM 922 CA ALA A 58 -12.103 5.312 0.611 1.00 0.00 C ATOM 923 C ALA A 58 -13.134 4.733 -0.356 1.00 0.00 C ATOM 924 O ALA A 58 -14.325 4.683 -0.047 1.00 0.00 O ATOM 925 CB ALA A 58 -11.834 6.772 0.288 1.00 0.00 C ATOM 0 H ALA A 58 -10.039 5.108 0.302 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.522 5.234 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.772 7.327 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.151 7.188 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.386 6.849 -0.703 1.00 0.00 H new ATOM 931 N GLN A 59 -12.679 4.288 -1.520 1.00 0.00 N ATOM 932 CA GLN A 59 -13.583 3.720 -2.511 1.00 0.00 C ATOM 933 C GLN A 59 -14.170 2.416 -1.982 1.00 0.00 C ATOM 934 O GLN A 59 -15.363 2.156 -2.136 1.00 0.00 O ATOM 935 CB GLN A 59 -12.843 3.492 -3.833 1.00 0.00 C ATOM 936 CG GLN A 59 -13.742 3.492 -5.064 1.00 0.00 C ATOM 937 CD GLN A 59 -14.605 2.252 -5.189 1.00 0.00 C ATOM 938 OE1 GLN A 59 -14.211 1.157 -4.783 1.00 0.00 O ATOM 939 NE2 GLN A 59 -15.789 2.418 -5.753 1.00 0.00 N ATOM 0 H GLN A 59 -11.698 4.309 -1.799 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.399 4.418 -2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.086 4.268 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.317 2.539 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -14.386 4.371 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -13.122 3.584 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -16.075 3.342 -6.075 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -16.416 1.622 -5.866 1.00 0.00 H new ATOM 948 N ALA A 60 -13.336 1.617 -1.325 1.00 0.00 N ATOM 949 CA ALA A 60 -13.785 0.359 -0.747 1.00 0.00 C ATOM 950 C ALA A 60 -14.783 0.617 0.370 1.00 0.00 C ATOM 951 O ALA A 60 -15.744 -0.133 0.547 1.00 0.00 O ATOM 952 CB ALA A 60 -12.600 -0.434 -0.226 1.00 0.00 C ATOM 0 H ALA A 60 -12.347 1.819 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.278 -0.225 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.951 -1.372 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.914 -0.644 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.083 0.145 0.540 1.00 0.00 H new ATOM 958 N LEU A 61 -14.548 1.694 1.109 1.00 0.00 N ATOM 959 CA LEU A 61 -15.454 2.120 2.165 1.00 0.00 C ATOM 960 C LEU A 61 -16.840 2.414 1.607 1.00 0.00 C ATOM 961 O LEU A 61 -17.847 1.972 2.160 1.00 0.00 O ATOM 962 CB LEU A 61 -14.901 3.359 2.872 1.00 0.00 C ATOM 963 CG LEU A 61 -13.674 3.111 3.750 1.00 0.00 C ATOM 964 CD1 LEU A 61 -13.140 4.422 4.300 1.00 0.00 C ATOM 965 CD2 LEU A 61 -14.017 2.160 4.888 1.00 0.00 C ATOM 0 H LEU A 61 -13.730 2.292 0.994 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.539 1.307 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.645 4.104 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.690 3.788 3.490 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.899 2.652 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.267 4.227 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.858 5.075 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.911 4.907 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.132 1.994 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.808 2.595 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.357 1.209 4.478 1.00 0.00 H new ATOM 977 N GLU A 62 -16.890 3.151 0.504 1.00 0.00 N ATOM 978 CA GLU A 62 -18.162 3.482 -0.127 1.00 0.00 C ATOM 979 C GLU A 62 -18.789 2.253 -0.771 1.00 0.00 C ATOM 980 O GLU A 62 -20.010 2.166 -0.910 1.00 0.00 O ATOM 981 CB GLU A 62 -17.984 4.577 -1.173 1.00 0.00 C ATOM 982 CG GLU A 62 -17.466 5.879 -0.601 1.00 0.00 C ATOM 983 CD GLU A 62 -17.551 7.023 -1.588 1.00 0.00 C ATOM 984 OE1 GLU A 62 -17.067 6.879 -2.729 1.00 0.00 O ATOM 985 OE2 GLU A 62 -18.132 8.070 -1.227 1.00 0.00 O ATOM 0 H GLU A 62 -16.070 3.529 0.030 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.829 3.847 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.294 4.227 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.940 4.759 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.037 6.132 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.429 5.748 -0.290 1.00 0.00 H new ATOM 992 N ALA A 63 -17.947 1.300 -1.152 1.00 0.00 N ATOM 993 CA ALA A 63 -18.403 0.080 -1.807 1.00 0.00 C ATOM 994 C ALA A 63 -19.119 -0.847 -0.827 1.00 0.00 C ATOM 995 O ALA A 63 -19.676 -1.872 -1.224 1.00 0.00 O ATOM 996 CB ALA A 63 -17.232 -0.640 -2.463 1.00 0.00 C ATOM 0 H ALA A 63 -16.937 1.350 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 63 -19.119 0.364 -2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -17.589 -1.549 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.774 0.012 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -16.493 -0.899 -1.705 1.00 0.00 H new ATOM 1002 N GLY A 64 -19.087 -0.495 0.453 1.00 0.00 N ATOM 1003 CA GLY A 64 -19.800 -1.267 1.451 1.00 0.00 C ATOM 1004 C GLY A 64 -18.887 -2.226 2.171 1.00 0.00 C ATOM 1005 O GLY A 64 -19.344 -3.134 2.865 1.00 0.00 O ATOM 0 H GLY A 64 -18.580 0.312 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -20.261 -0.592 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.607 -1.822 0.973 1.00 0.00 H new ATOM 1009 N LYS A 65 -17.589 -2.029 1.988 1.00 0.00 N ATOM 1010 CA LYS A 65 -16.587 -2.859 2.621 1.00 0.00 C ATOM 1011 C LYS A 65 -15.900 -2.084 3.728 1.00 0.00 C ATOM 1012 O LYS A 65 -16.200 -0.912 3.964 1.00 0.00 O ATOM 1013 CB LYS A 65 -15.541 -3.325 1.604 1.00 0.00 C ATOM 1014 CG LYS A 65 -16.010 -4.425 0.661 1.00 0.00 C ATOM 1015 CD LYS A 65 -17.143 -3.966 -0.236 1.00 0.00 C ATOM 1016 CE LYS A 65 -17.459 -4.999 -1.304 1.00 0.00 C ATOM 1017 NZ LYS A 65 -18.646 -4.621 -2.117 1.00 0.00 N ATOM 0 H LYS A 65 -17.207 -1.290 1.397 1.00 0.00 H new ATOM 0 HA LYS A 65 -17.085 -3.735 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.225 -2.467 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.663 -3.679 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.173 -4.755 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.336 -5.286 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.032 -3.779 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.874 -3.022 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.596 -5.118 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.637 -5.965 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.397 -5.328 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -18.991 -3.688 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.381 -4.583 -3.122 1.00 0.00 H new ATOM 1031 N ASN A 66 -14.974 -2.736 4.395 1.00 0.00 N ATOM 1032 CA ASN A 66 -14.208 -2.093 5.448 1.00 0.00 C ATOM 1033 C ASN A 66 -12.774 -1.901 4.995 1.00 0.00 C ATOM 1034 O ASN A 66 -12.164 -2.816 4.441 1.00 0.00 O ATOM 1035 CB ASN A 66 -14.236 -2.915 6.735 1.00 0.00 C ATOM 1036 CG ASN A 66 -13.740 -2.116 7.929 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -13.836 -0.889 7.952 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -13.232 -2.801 8.939 1.00 0.00 N ATOM 0 H ASN A 66 -14.730 -3.713 4.229 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.662 -1.124 5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.253 -3.258 6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.618 -3.804 6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.904 -2.313 9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.168 -3.818 8.885 1.00 0.00 H new ATOM 1045 N ALA A 67 -12.242 -0.722 5.234 1.00 0.00 N ATOM 1046 CA ALA A 67 -10.902 -0.387 4.800 1.00 0.00 C ATOM 1047 C ALA A 67 -10.282 0.632 5.735 1.00 0.00 C ATOM 1048 O ALA A 67 -10.992 1.436 6.343 1.00 0.00 O ATOM 1049 CB ALA A 67 -10.935 0.144 3.376 1.00 0.00 C ATOM 0 H ALA A 67 -12.722 0.028 5.732 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.289 -1.288 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.923 0.394 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.347 -0.617 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.559 1.037 3.335 1.00 0.00 H new ATOM 1055 N ALA A 68 -8.969 0.587 5.857 1.00 0.00 N ATOM 1056 CA ALA A 68 -8.250 1.527 6.696 1.00 0.00 C ATOM 1057 C ALA A 68 -6.849 1.764 6.155 1.00 0.00 C ATOM 1058 O ALA A 68 -6.172 0.829 5.718 1.00 0.00 O ATOM 1059 CB ALA A 68 -8.188 1.018 8.129 1.00 0.00 C ATOM 0 H ALA A 68 -8.376 -0.094 5.383 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.786 2.476 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.645 1.734 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.200 0.898 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.674 0.057 8.152 1.00 0.00 H new ATOM 1065 N TYR A 69 -6.420 3.016 6.169 1.00 0.00 N ATOM 1066 CA TYR A 69 -5.077 3.350 5.751 1.00 0.00 C ATOM 1067 C TYR A 69 -4.233 3.655 6.978 1.00 0.00 C ATOM 1068 O TYR A 69 -4.689 4.319 7.911 1.00 0.00 O ATOM 1069 CB TYR A 69 -5.070 4.536 4.769 1.00 0.00 C ATOM 1070 CG TYR A 69 -5.519 5.859 5.359 1.00 0.00 C ATOM 1071 CD1 TYR A 69 -6.855 6.240 5.338 1.00 0.00 C ATOM 1072 CD2 TYR A 69 -4.600 6.729 5.930 1.00 0.00 C ATOM 1073 CE1 TYR A 69 -7.259 7.449 5.874 1.00 0.00 C ATOM 1074 CE2 TYR A 69 -4.997 7.936 6.471 1.00 0.00 C ATOM 1075 CZ TYR A 69 -6.327 8.293 6.440 1.00 0.00 C ATOM 1076 OH TYR A 69 -6.728 9.493 6.989 1.00 0.00 O ATOM 0 H TYR A 69 -6.984 3.812 6.465 1.00 0.00 H new ATOM 0 HA TYR A 69 -4.651 2.497 5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -4.061 4.655 4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.716 4.294 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.589 5.582 4.896 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.555 6.457 5.951 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.301 7.731 5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.268 8.597 6.916 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.948 9.966 7.346 1.00 0.00 H new ATOM 1086 N ILE A 70 -3.027 3.132 6.996 1.00 0.00 N ATOM 1087 CA ILE A 70 -2.123 3.354 8.111 1.00 0.00 C ATOM 1088 C ILE A 70 -0.785 3.884 7.615 1.00 0.00 C ATOM 1089 O ILE A 70 -0.077 3.215 6.861 1.00 0.00 O ATOM 1090 CB ILE A 70 -1.901 2.060 8.931 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.235 1.566 9.503 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -0.897 2.303 10.051 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -3.130 0.271 10.281 1.00 0.00 C ATOM 0 H ILE A 70 -2.646 2.548 6.251 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.586 4.095 8.763 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.497 1.292 8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.647 2.337 10.154 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.941 1.430 8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.753 1.383 10.617 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.055 2.619 9.624 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.273 3.082 10.714 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.115 -0.011 10.652 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.749 -0.515 9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.450 0.406 11.122 1.00 0.00 H new ATOM 1105 N ASP A 71 -0.453 5.099 8.027 1.00 0.00 N ATOM 1106 CA ASP A 71 0.831 5.695 7.692 1.00 0.00 C ATOM 1107 C ASP A 71 1.875 5.177 8.662 1.00 0.00 C ATOM 1108 O ASP A 71 2.027 5.710 9.751 1.00 0.00 O ATOM 1109 CB ASP A 71 0.749 7.223 7.772 1.00 0.00 C ATOM 1110 CG ASP A 71 2.012 7.916 7.295 1.00 0.00 C ATOM 1111 OD1 ASP A 71 3.071 7.766 7.939 1.00 0.00 O ATOM 1112 OD2 ASP A 71 1.942 8.641 6.285 1.00 0.00 O ATOM 0 H ASP A 71 -1.057 5.692 8.595 1.00 0.00 H new ATOM 0 HA ASP A 71 1.105 5.423 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.094 7.567 7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.549 7.516 8.803 1.00 0.00 H new ATOM 1117 N ALA A 72 2.583 4.134 8.278 1.00 0.00 N ATOM 1118 CA ALA A 72 3.464 3.435 9.204 1.00 0.00 C ATOM 1119 C ALA A 72 4.695 4.265 9.558 1.00 0.00 C ATOM 1120 O ALA A 72 5.475 3.886 10.429 1.00 0.00 O ATOM 1121 CB ALA A 72 3.864 2.087 8.634 1.00 0.00 C ATOM 0 H ALA A 72 2.569 3.749 7.334 1.00 0.00 H new ATOM 0 HA ALA A 72 2.911 3.274 10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.522 1.576 9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.972 1.483 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.386 2.232 7.688 1.00 0.00 H new ATOM 1127 N ALA A 73 4.864 5.396 8.890 1.00 0.00 N ATOM 1128 CA ALA A 73 5.963 6.294 9.201 1.00 0.00 C ATOM 1129 C ALA A 73 5.602 7.224 10.358 1.00 0.00 C ATOM 1130 O ALA A 73 6.482 7.834 10.970 1.00 0.00 O ATOM 1131 CB ALA A 73 6.359 7.095 7.972 1.00 0.00 C ATOM 0 H ALA A 73 4.257 5.712 8.133 1.00 0.00 H new ATOM 0 HA ALA A 73 6.816 5.690 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.183 7.762 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.671 6.415 7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.507 7.683 7.631 1.00 0.00 H new ATOM 1137 N SER A 74 4.313 7.334 10.657 1.00 0.00 N ATOM 1138 CA SER A 74 3.852 8.197 11.743 1.00 0.00 C ATOM 1139 C SER A 74 2.901 7.448 12.686 1.00 0.00 C ATOM 1140 O SER A 74 2.637 7.891 13.805 1.00 0.00 O ATOM 1141 CB SER A 74 3.154 9.418 11.143 1.00 0.00 C ATOM 1142 OG SER A 74 3.048 10.476 12.079 1.00 0.00 O ATOM 0 H SER A 74 3.569 6.839 10.166 1.00 0.00 H new ATOM 0 HA SER A 74 4.713 8.514 12.332 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.708 9.760 10.269 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.159 9.136 10.799 1.00 0.00 H new ATOM 0 HG SER A 74 2.598 11.239 11.660 1.00 0.00 H new ATOM 1148 N MET A 75 2.399 6.313 12.227 1.00 0.00 N ATOM 1149 CA MET A 75 1.427 5.523 12.976 1.00 0.00 C ATOM 1150 C MET A 75 1.943 4.102 13.175 1.00 0.00 C ATOM 1151 O MET A 75 2.720 3.604 12.362 1.00 0.00 O ATOM 1152 CB MET A 75 0.096 5.472 12.213 1.00 0.00 C ATOM 1153 CG MET A 75 -0.565 6.823 12.018 1.00 0.00 C ATOM 1154 SD MET A 75 -2.025 6.732 10.958 1.00 0.00 S ATOM 1155 CE MET A 75 -3.074 5.625 11.899 1.00 0.00 C ATOM 0 H MET A 75 2.652 5.911 11.325 1.00 0.00 H new ATOM 0 HA MET A 75 1.275 5.991 13.948 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.268 5.021 11.236 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.592 4.818 12.749 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.850 7.228 12.989 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.154 7.516 11.582 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.094 5.680 11.519 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.705 4.604 11.802 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.061 5.917 12.949 1.00 0.00 H new ATOM 1165 N PRO A 76 1.541 3.437 14.265 1.00 0.00 N ATOM 1166 CA PRO A 76 1.862 2.042 14.501 1.00 0.00 C ATOM 1167 C PRO A 76 0.780 1.109 13.960 1.00 0.00 C ATOM 1168 O PRO A 76 -0.380 1.503 13.818 1.00 0.00 O ATOM 1169 CB PRO A 76 1.927 1.958 16.030 1.00 0.00 C ATOM 1170 CG PRO A 76 1.136 3.127 16.549 1.00 0.00 C ATOM 1171 CD PRO A 76 0.755 3.992 15.371 1.00 0.00 C ATOM 0 HA PRO A 76 2.782 1.735 14.003 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.509 1.016 16.386 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.959 2.001 16.379 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.244 2.782 17.072 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.726 3.698 17.266 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.315 3.942 15.167 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.997 5.040 15.548 1.00 0.00 H new ATOM 1179 N LEU A 77 1.159 -0.121 13.652 1.00 0.00 N ATOM 1180 CA LEU A 77 0.199 -1.117 13.198 1.00 0.00 C ATOM 1181 C LEU A 77 -0.467 -1.769 14.405 1.00 0.00 C ATOM 1182 O LEU A 77 0.174 -1.975 15.436 1.00 0.00 O ATOM 1183 CB LEU A 77 0.895 -2.173 12.331 1.00 0.00 C ATOM 1184 CG LEU A 77 -0.026 -3.229 11.713 1.00 0.00 C ATOM 1185 CD1 LEU A 77 -1.042 -2.582 10.784 1.00 0.00 C ATOM 1186 CD2 LEU A 77 0.793 -4.265 10.963 1.00 0.00 C ATOM 0 H LEU A 77 2.122 -0.454 13.707 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.564 -0.630 12.591 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.427 -1.665 11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.645 -2.680 12.938 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.569 -3.726 12.517 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.685 -3.351 10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.649 -1.872 11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.521 -2.058 9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.127 -5.010 10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.359 -3.777 10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.482 -4.753 11.652 1.00 0.00 H new ATOM 1198 N THR A 78 -1.748 -2.089 14.283 1.00 0.00 N ATOM 1199 CA THR A 78 -2.503 -2.634 15.394 1.00 0.00 C ATOM 1200 C THR A 78 -3.311 -3.852 14.963 1.00 0.00 C ATOM 1201 O THR A 78 -3.422 -4.152 13.774 1.00 0.00 O ATOM 1202 CB THR A 78 -3.457 -1.576 15.984 1.00 0.00 C ATOM 1203 OG1 THR A 78 -4.275 -1.021 14.945 1.00 0.00 O ATOM 1204 CG2 THR A 78 -2.682 -0.462 16.676 1.00 0.00 C ATOM 0 H THR A 78 -2.284 -1.979 13.422 1.00 0.00 H new ATOM 0 HA THR A 78 -1.785 -2.935 16.157 1.00 0.00 H new ATOM 0 HB THR A 78 -4.089 -2.066 16.725 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.880 -0.351 15.327 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.381 0.269 17.082 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.085 -0.882 17.486 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.025 0.025 15.956 1.00 0.00 H new ATOM 1212 N ASP A 79 -3.891 -4.532 15.942 1.00 0.00 N ATOM 1213 CA ASP A 79 -4.698 -5.725 15.703 1.00 0.00 C ATOM 1214 C ASP A 79 -6.054 -5.360 15.109 1.00 0.00 C ATOM 1215 O ASP A 79 -6.776 -6.219 14.607 1.00 0.00 O ATOM 1216 CB ASP A 79 -4.895 -6.496 17.013 1.00 0.00 C ATOM 1217 CG ASP A 79 -5.595 -5.671 18.075 1.00 0.00 C ATOM 1218 OD1 ASP A 79 -5.020 -4.654 18.518 1.00 0.00 O ATOM 1219 OD2 ASP A 79 -6.712 -6.040 18.490 1.00 0.00 O ATOM 0 H ASP A 79 -3.817 -4.274 16.926 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.169 -6.355 14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.476 -7.397 16.816 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.924 -6.819 17.390 1.00 0.00 H new ATOM 1224 N ALA A 80 -6.385 -4.074 15.155 1.00 0.00 N ATOM 1225 CA ALA A 80 -7.633 -3.576 14.589 1.00 0.00 C ATOM 1226 C ALA A 80 -7.669 -3.791 13.079 1.00 0.00 C ATOM 1227 O ALA A 80 -8.738 -3.884 12.474 1.00 0.00 O ATOM 1228 CB ALA A 80 -7.813 -2.103 14.924 1.00 0.00 C ATOM 0 H ALA A 80 -5.802 -3.354 15.581 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.457 -4.137 15.029 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.749 -1.744 14.495 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.838 -1.976 16.006 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.982 -1.532 14.511 1.00 0.00 H new ATOM 1234 N ALA A 81 -6.485 -3.877 12.483 1.00 0.00 N ATOM 1235 CA ALA A 81 -6.354 -4.065 11.044 1.00 0.00 C ATOM 1236 C ALA A 81 -7.030 -5.350 10.575 1.00 0.00 C ATOM 1237 O ALA A 81 -7.456 -5.447 9.427 1.00 0.00 O ATOM 1238 CB ALA A 81 -4.888 -4.071 10.651 1.00 0.00 C ATOM 0 H ALA A 81 -5.596 -3.819 12.979 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.857 -3.231 10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.801 -4.212 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.432 -3.121 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.377 -4.884 11.166 1.00 0.00 H new ATOM 1244 N PHE A 82 -7.144 -6.332 11.468 1.00 0.00 N ATOM 1245 CA PHE A 82 -7.769 -7.609 11.130 1.00 0.00 C ATOM 1246 C PHE A 82 -9.259 -7.443 10.841 1.00 0.00 C ATOM 1247 O PHE A 82 -9.871 -8.290 10.191 1.00 0.00 O ATOM 1248 CB PHE A 82 -7.581 -8.624 12.257 1.00 0.00 C ATOM 1249 CG PHE A 82 -6.189 -9.181 12.353 1.00 0.00 C ATOM 1250 CD1 PHE A 82 -5.774 -10.187 11.495 1.00 0.00 C ATOM 1251 CD2 PHE A 82 -5.301 -8.710 13.306 1.00 0.00 C ATOM 1252 CE1 PHE A 82 -4.502 -10.714 11.586 1.00 0.00 C ATOM 1253 CE2 PHE A 82 -4.026 -9.231 13.400 1.00 0.00 C ATOM 1254 CZ PHE A 82 -3.627 -10.235 12.541 1.00 0.00 C ATOM 0 H PHE A 82 -6.812 -6.268 12.430 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.278 -7.977 10.229 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.838 -8.151 13.205 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.281 -9.447 12.111 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.455 -10.563 10.746 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.609 -7.927 13.983 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.192 -11.499 10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.341 -8.853 14.145 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.631 -10.646 12.616 1.00 0.00 H new ATOM 1264 N GLU A 83 -9.839 -6.351 11.317 1.00 0.00 N ATOM 1265 CA GLU A 83 -11.260 -6.111 11.132 1.00 0.00 C ATOM 1266 C GLU A 83 -11.548 -5.520 9.760 1.00 0.00 C ATOM 1267 O GLU A 83 -12.669 -5.601 9.255 1.00 0.00 O ATOM 1268 CB GLU A 83 -11.775 -5.169 12.205 1.00 0.00 C ATOM 1269 CG GLU A 83 -11.636 -5.727 13.607 1.00 0.00 C ATOM 1270 CD GLU A 83 -12.339 -4.878 14.640 1.00 0.00 C ATOM 1271 OE1 GLU A 83 -13.565 -5.038 14.814 1.00 0.00 O ATOM 1272 OE2 GLU A 83 -11.675 -4.045 15.286 1.00 0.00 O ATOM 0 H GLU A 83 -9.348 -5.620 11.832 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.771 -7.071 11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.233 -4.225 12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.825 -4.948 12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.043 -6.738 13.634 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.579 -5.802 13.862 1.00 0.00 H new ATOM 1279 N ALA A 84 -10.535 -4.918 9.168 1.00 0.00 N ATOM 1280 CA ALA A 84 -10.675 -4.298 7.867 1.00 0.00 C ATOM 1281 C ALA A 84 -10.503 -5.330 6.769 1.00 0.00 C ATOM 1282 O ALA A 84 -9.736 -6.281 6.906 1.00 0.00 O ATOM 1283 CB ALA A 84 -9.670 -3.168 7.705 1.00 0.00 C ATOM 0 H ALA A 84 -9.601 -4.846 9.571 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.677 -3.877 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.789 -2.713 6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.840 -2.416 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.659 -3.564 7.802 1.00 0.00 H new ATOM 1289 N GLU A 85 -11.255 -5.163 5.701 1.00 0.00 N ATOM 1290 CA GLU A 85 -11.121 -6.036 4.547 1.00 0.00 C ATOM 1291 C GLU A 85 -10.000 -5.532 3.643 1.00 0.00 C ATOM 1292 O GLU A 85 -9.306 -6.312 2.996 1.00 0.00 O ATOM 1293 CB GLU A 85 -12.430 -6.102 3.761 1.00 0.00 C ATOM 1294 CG GLU A 85 -12.547 -7.352 2.906 1.00 0.00 C ATOM 1295 CD GLU A 85 -12.659 -8.597 3.752 1.00 0.00 C ATOM 1296 OE1 GLU A 85 -13.794 -8.969 4.119 1.00 0.00 O ATOM 1297 OE2 GLU A 85 -11.619 -9.207 4.067 1.00 0.00 O ATOM 0 H GLU A 85 -11.963 -4.435 5.605 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.879 -7.039 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.268 -6.065 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.508 -5.223 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.421 -7.271 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.676 -7.431 2.255 1.00 0.00 H new ATOM 1304 N TYR A 86 -9.841 -4.215 3.613 1.00 0.00 N ATOM 1305 CA TYR A 86 -8.824 -3.574 2.788 1.00 0.00 C ATOM 1306 C TYR A 86 -7.808 -2.850 3.666 1.00 0.00 C ATOM 1307 O TYR A 86 -8.145 -1.877 4.346 1.00 0.00 O ATOM 1308 CB TYR A 86 -9.464 -2.568 1.824 1.00 0.00 C ATOM 1309 CG TYR A 86 -10.390 -3.170 0.789 1.00 0.00 C ATOM 1310 CD1 TYR A 86 -11.615 -3.715 1.147 1.00 0.00 C ATOM 1311 CD2 TYR A 86 -10.044 -3.176 -0.553 1.00 0.00 C ATOM 1312 CE1 TYR A 86 -12.467 -4.245 0.197 1.00 0.00 C ATOM 1313 CE2 TYR A 86 -10.887 -3.707 -1.509 1.00 0.00 C ATOM 1314 CZ TYR A 86 -12.095 -4.243 -1.128 1.00 0.00 C ATOM 1315 OH TYR A 86 -12.937 -4.771 -2.077 1.00 0.00 O ATOM 0 H TYR A 86 -10.409 -3.564 4.156 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.320 -4.350 2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.023 -1.835 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.670 -2.027 1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.908 -3.725 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.096 -2.757 -0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.420 -4.659 0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.599 -3.701 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.524 -4.690 -2.962 1.00 0.00 H new ATOM 1325 N LEU A 87 -6.575 -3.332 3.660 1.00 0.00 N ATOM 1326 CA LEU A 87 -5.512 -2.702 4.434 1.00 0.00 C ATOM 1327 C LEU A 87 -4.504 -2.025 3.519 1.00 0.00 C ATOM 1328 O LEU A 87 -3.893 -2.672 2.666 1.00 0.00 O ATOM 1329 CB LEU A 87 -4.787 -3.717 5.329 1.00 0.00 C ATOM 1330 CG LEU A 87 -5.554 -4.192 6.567 1.00 0.00 C ATOM 1331 CD1 LEU A 87 -6.068 -3.001 7.361 1.00 0.00 C ATOM 1332 CD2 LEU A 87 -6.693 -5.122 6.184 1.00 0.00 C ATOM 0 H LEU A 87 -6.284 -4.154 3.131 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.982 -1.952 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.536 -4.589 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.846 -3.275 5.657 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.866 -4.756 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.611 -3.355 8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.227 -2.385 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.736 -2.408 6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.219 -5.443 7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.386 -4.597 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.292 -5.994 5.667 1.00 0.00 H new ATOM 1344 N ALA A 88 -4.338 -0.723 3.696 1.00 0.00 N ATOM 1345 CA ALA A 88 -3.340 0.027 2.952 1.00 0.00 C ATOM 1346 C ALA A 88 -2.312 0.611 3.909 1.00 0.00 C ATOM 1347 O ALA A 88 -2.638 1.444 4.757 1.00 0.00 O ATOM 1348 CB ALA A 88 -3.993 1.126 2.127 1.00 0.00 C ATOM 0 H ALA A 88 -4.884 -0.163 4.351 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.835 -0.651 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.226 1.674 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.696 0.683 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.525 1.810 2.788 1.00 0.00 H new ATOM 1354 N VAL A 89 -1.076 0.161 3.782 1.00 0.00 N ATOM 1355 CA VAL A 89 -0.015 0.597 4.676 1.00 0.00 C ATOM 1356 C VAL A 89 1.005 1.443 3.929 1.00 0.00 C ATOM 1357 O VAL A 89 1.580 1.006 2.929 1.00 0.00 O ATOM 1358 CB VAL A 89 0.700 -0.603 5.335 1.00 0.00 C ATOM 1359 CG1 VAL A 89 1.750 -0.127 6.328 1.00 0.00 C ATOM 1360 CG2 VAL A 89 -0.309 -1.519 6.018 1.00 0.00 C ATOM 0 H VAL A 89 -0.781 -0.506 3.069 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.480 1.197 5.458 1.00 0.00 H new ATOM 0 HB VAL A 89 1.205 -1.170 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.241 -0.989 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.491 0.482 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.272 0.467 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.214 -2.358 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.844 -0.962 6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.019 -1.893 5.280 1.00 0.00 H new ATOM 1370 N ASP A 90 1.217 2.650 4.425 1.00 0.00 N ATOM 1371 CA ASP A 90 2.155 3.586 3.818 1.00 0.00 C ATOM 1372 C ASP A 90 3.517 3.455 4.500 1.00 0.00 C ATOM 1373 O ASP A 90 3.643 3.736 5.694 1.00 0.00 O ATOM 1374 CB ASP A 90 1.613 5.016 3.962 1.00 0.00 C ATOM 1375 CG ASP A 90 1.915 5.900 2.764 1.00 0.00 C ATOM 1376 OD1 ASP A 90 1.386 5.620 1.671 1.00 0.00 O ATOM 1377 OD2 ASP A 90 2.660 6.895 2.921 1.00 0.00 O ATOM 0 H ASP A 90 0.747 3.010 5.256 1.00 0.00 H new ATOM 0 HA ASP A 90 2.272 3.361 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.534 4.974 4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.040 5.470 4.856 1.00 0.00 H new ATOM 1382 N GLN A 91 4.526 3.028 3.737 1.00 0.00 N ATOM 1383 CA GLN A 91 5.868 2.743 4.262 1.00 0.00 C ATOM 1384 C GLN A 91 5.824 1.691 5.370 1.00 0.00 C ATOM 1385 O GLN A 91 6.031 2.001 6.544 1.00 0.00 O ATOM 1386 CB GLN A 91 6.579 4.003 4.780 1.00 0.00 C ATOM 1387 CG GLN A 91 7.121 4.916 3.684 1.00 0.00 C ATOM 1388 CD GLN A 91 6.048 5.706 2.964 1.00 0.00 C ATOM 1389 OE1 GLN A 91 6.175 6.019 1.780 1.00 0.00 O ATOM 1390 NE2 GLN A 91 5.004 6.072 3.684 1.00 0.00 N ATOM 0 H GLN A 91 4.437 2.869 2.733 1.00 0.00 H new ATOM 0 HA GLN A 91 6.441 2.354 3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.883 4.570 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.404 3.701 5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.838 5.610 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.665 4.313 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.936 5.792 4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.265 6.635 3.262 1.00 0.00 H new ATOM 1399 N VAL A 92 5.577 0.441 4.990 1.00 0.00 N ATOM 1400 CA VAL A 92 5.454 -0.648 5.956 1.00 0.00 C ATOM 1401 C VAL A 92 6.813 -0.984 6.592 1.00 0.00 C ATOM 1402 O VAL A 92 6.881 -1.593 7.663 1.00 0.00 O ATOM 1403 CB VAL A 92 4.850 -1.914 5.300 1.00 0.00 C ATOM 1404 CG1 VAL A 92 5.815 -2.537 4.305 1.00 0.00 C ATOM 1405 CG2 VAL A 92 4.437 -2.932 6.355 1.00 0.00 C ATOM 0 H VAL A 92 5.458 0.156 4.018 1.00 0.00 H new ATOM 0 HA VAL A 92 4.778 -0.308 6.741 1.00 0.00 H new ATOM 0 HB VAL A 92 3.958 -1.606 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.360 -3.423 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.044 -1.816 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.735 -2.819 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.016 -3.811 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.309 -3.224 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.690 -2.490 7.014 1.00 0.00 H new ATOM 1415 N GLU A 93 7.892 -0.548 5.950 1.00 0.00 N ATOM 1416 CA GLU A 93 9.239 -0.823 6.435 1.00 0.00 C ATOM 1417 C GLU A 93 9.565 0.024 7.665 1.00 0.00 C ATOM 1418 O GLU A 93 10.600 -0.166 8.304 1.00 0.00 O ATOM 1419 CB GLU A 93 10.281 -0.575 5.336 1.00 0.00 C ATOM 1420 CG GLU A 93 10.312 0.854 4.816 1.00 0.00 C ATOM 1421 CD GLU A 93 9.409 1.074 3.617 1.00 0.00 C ATOM 1422 OE1 GLU A 93 8.190 0.839 3.735 1.00 0.00 O ATOM 1423 OE2 GLU A 93 9.921 1.474 2.551 1.00 0.00 O ATOM 0 H GLU A 93 7.859 -0.001 5.090 1.00 0.00 H new ATOM 0 HA GLU A 93 9.276 -1.875 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.268 -0.830 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.081 -1.249 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.014 1.531 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.335 1.113 4.544 1.00 0.00 H new ATOM 1430 N LYS A 94 8.681 0.958 7.996 1.00 0.00 N ATOM 1431 CA LYS A 94 8.893 1.838 9.133 1.00 0.00 C ATOM 1432 C LYS A 94 8.434 1.182 10.434 1.00 0.00 C ATOM 1433 O LYS A 94 8.596 1.748 11.515 1.00 0.00 O ATOM 1434 CB LYS A 94 8.158 3.156 8.918 1.00 0.00 C ATOM 1435 CG LYS A 94 8.634 3.919 7.692 1.00 0.00 C ATOM 1436 CD LYS A 94 10.076 4.381 7.832 1.00 0.00 C ATOM 1437 CE LYS A 94 10.210 5.515 8.838 1.00 0.00 C ATOM 1438 NZ LYS A 94 11.579 6.094 8.846 1.00 0.00 N ATOM 0 H LYS A 94 7.810 1.124 7.491 1.00 0.00 H new ATOM 0 HA LYS A 94 9.962 2.034 9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.091 2.957 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.287 3.783 9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.541 3.284 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.990 4.784 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.698 3.542 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.448 4.710 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.487 6.296 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.967 5.146 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.627 6.863 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.267 5.355 9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.803 6.470 7.902 1.00 0.00 H new ATOM 1452 N LEU A 95 7.863 -0.012 10.324 1.00 0.00 N ATOM 1453 CA LEU A 95 7.399 -0.747 11.494 1.00 0.00 C ATOM 1454 C LEU A 95 8.576 -1.364 12.244 1.00 0.00 C ATOM 1455 O LEU A 95 9.519 -1.869 11.630 1.00 0.00 O ATOM 1456 CB LEU A 95 6.407 -1.833 11.074 1.00 0.00 C ATOM 1457 CG LEU A 95 5.122 -1.321 10.414 1.00 0.00 C ATOM 1458 CD1 LEU A 95 4.208 -2.483 10.055 1.00 0.00 C ATOM 1459 CD2 LEU A 95 4.404 -0.343 11.334 1.00 0.00 C ATOM 0 H LEU A 95 7.710 -0.491 9.437 1.00 0.00 H new ATOM 0 HA LEU A 95 6.895 -0.050 12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.906 -2.512 10.382 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.137 -2.417 11.954 1.00 0.00 H new ATOM 0 HG LEU A 95 5.391 -0.798 9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.300 -2.101 9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.721 -3.149 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.947 -3.033 10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.494 0.011 10.850 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.147 -0.843 12.268 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.056 0.505 11.544 1.00 0.00 H new ATOM 1471 N GLY A 96 8.512 -1.329 13.569 1.00 0.00 N ATOM 1472 CA GLY A 96 9.630 -1.749 14.387 1.00 0.00 C ATOM 1473 C GLY A 96 9.751 -3.254 14.530 1.00 0.00 C ATOM 1474 O GLY A 96 10.493 -3.897 13.786 1.00 0.00 O ATOM 0 H GLY A 96 7.697 -1.014 14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.551 -1.359 13.955 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.530 -1.306 15.378 1.00 0.00 H new ATOM 1478 N ASN A 97 9.023 -3.819 15.484 1.00 0.00 N ATOM 1479 CA ASN A 97 9.183 -5.231 15.821 1.00 0.00 C ATOM 1480 C ASN A 97 7.841 -5.955 15.843 1.00 0.00 C ATOM 1481 O ASN A 97 7.544 -6.768 14.964 1.00 0.00 O ATOM 1482 CB ASN A 97 9.863 -5.372 17.187 1.00 0.00 C ATOM 1483 CG ASN A 97 10.134 -6.817 17.565 1.00 0.00 C ATOM 1484 OD1 ASN A 97 10.405 -7.656 16.707 1.00 0.00 O ATOM 1485 ND2 ASN A 97 10.032 -7.126 18.850 1.00 0.00 N ATOM 0 H ASN A 97 8.320 -3.327 16.036 1.00 0.00 H new ATOM 0 HA ASN A 97 9.805 -5.687 15.051 1.00 0.00 H new ATOM 0 HB2 ASN A 97 10.804 -4.822 17.178 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.233 -4.914 17.950 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.180 -8.087 19.157 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.806 -6.402 19.532 1.00 0.00 H new ATOM 1492 N GLU A 98 7.032 -5.634 16.846 1.00 0.00 N ATOM 1493 CA GLU A 98 5.745 -6.285 17.049 1.00 0.00 C ATOM 1494 C GLU A 98 4.824 -6.013 15.869 1.00 0.00 C ATOM 1495 O GLU A 98 4.062 -6.883 15.442 1.00 0.00 O ATOM 1496 CB GLU A 98 5.116 -5.775 18.347 1.00 0.00 C ATOM 1497 CG GLU A 98 3.848 -6.501 18.750 1.00 0.00 C ATOM 1498 CD GLU A 98 3.306 -6.016 20.077 1.00 0.00 C ATOM 1499 OE1 GLU A 98 3.778 -6.500 21.127 1.00 0.00 O ATOM 1500 OE2 GLU A 98 2.409 -5.154 20.079 1.00 0.00 O ATOM 0 H GLU A 98 7.249 -4.918 17.539 1.00 0.00 H new ATOM 0 HA GLU A 98 5.894 -7.362 17.124 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.845 -5.867 19.152 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.894 -4.713 18.238 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.091 -6.362 17.978 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.048 -7.571 18.811 1.00 0.00 H new ATOM 1507 N GLU A 99 4.926 -4.807 15.338 1.00 0.00 N ATOM 1508 CA GLU A 99 4.130 -4.388 14.198 1.00 0.00 C ATOM 1509 C GLU A 99 4.397 -5.280 12.987 1.00 0.00 C ATOM 1510 O GLU A 99 3.481 -5.597 12.228 1.00 0.00 O ATOM 1511 CB GLU A 99 4.420 -2.926 13.840 1.00 0.00 C ATOM 1512 CG GLU A 99 4.448 -1.982 15.036 1.00 0.00 C ATOM 1513 CD GLU A 99 5.808 -1.914 15.706 1.00 0.00 C ATOM 1514 OE1 GLU A 99 6.112 -2.785 16.551 1.00 0.00 O ATOM 1515 OE2 GLU A 99 6.583 -0.996 15.384 1.00 0.00 O ATOM 0 H GLU A 99 5.563 -4.090 15.685 1.00 0.00 H new ATOM 0 HA GLU A 99 3.080 -4.482 14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.381 -2.873 13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.664 -2.579 13.136 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.159 -0.983 14.710 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.706 -2.306 15.765 1.00 0.00 H new ATOM 1522 N GLN A 100 5.647 -5.699 12.815 1.00 0.00 N ATOM 1523 CA GLN A 100 6.006 -6.556 11.691 1.00 0.00 C ATOM 1524 C GLN A 100 5.437 -7.958 11.889 1.00 0.00 C ATOM 1525 O GLN A 100 5.030 -8.612 10.929 1.00 0.00 O ATOM 1526 CB GLN A 100 7.525 -6.615 11.503 1.00 0.00 C ATOM 1527 CG GLN A 100 8.137 -5.295 11.054 1.00 0.00 C ATOM 1528 CD GLN A 100 9.577 -5.440 10.598 1.00 0.00 C ATOM 1529 OE1 GLN A 100 9.981 -6.486 10.089 1.00 0.00 O ATOM 1530 NE2 GLN A 100 10.360 -4.387 10.763 1.00 0.00 N ATOM 0 H GLN A 100 6.422 -5.461 13.434 1.00 0.00 H new ATOM 0 HA GLN A 100 5.573 -6.127 10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.987 -6.919 12.442 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.762 -7.384 10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.542 -4.883 10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.091 -4.580 11.876 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.989 -3.538 11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.335 -4.424 10.464 1.00 0.00 H new ATOM 1539 N ALA A 101 5.390 -8.404 13.138 1.00 0.00 N ATOM 1540 CA ALA A 101 4.800 -9.698 13.465 1.00 0.00 C ATOM 1541 C ALA A 101 3.290 -9.651 13.262 1.00 0.00 C ATOM 1542 O ALA A 101 2.667 -10.642 12.879 1.00 0.00 O ATOM 1543 CB ALA A 101 5.138 -10.091 14.893 1.00 0.00 C ATOM 0 H ALA A 101 5.753 -7.890 13.941 1.00 0.00 H new ATOM 0 HA ALA A 101 5.217 -10.452 12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.690 -11.058 15.120 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.220 -10.157 15.006 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.747 -9.340 15.579 1.00 0.00 H new ATOM 1549 N LEU A 102 2.715 -8.485 13.518 1.00 0.00 N ATOM 1550 CA LEU A 102 1.297 -8.260 13.295 1.00 0.00 C ATOM 1551 C LEU A 102 1.000 -8.339 11.800 1.00 0.00 C ATOM 1552 O LEU A 102 0.075 -9.031 11.375 1.00 0.00 O ATOM 1553 CB LEU A 102 0.904 -6.888 13.860 1.00 0.00 C ATOM 1554 CG LEU A 102 -0.572 -6.699 14.243 1.00 0.00 C ATOM 1555 CD1 LEU A 102 -1.477 -6.722 13.023 1.00 0.00 C ATOM 1556 CD2 LEU A 102 -1.006 -7.758 15.247 1.00 0.00 C ATOM 0 H LEU A 102 3.215 -7.675 13.883 1.00 0.00 H new ATOM 0 HA LEU A 102 0.712 -9.025 13.805 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.513 -6.696 14.744 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.165 -6.129 13.123 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.666 -5.717 14.706 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.512 -6.585 13.335 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.193 -5.918 12.344 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.375 -7.680 12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.054 -7.607 15.505 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.879 -8.748 14.809 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.396 -7.678 16.147 1.00 0.00 H new ATOM 1568 N LEU A 103 1.804 -7.629 11.014 1.00 0.00 N ATOM 1569 CA LEU A 103 1.693 -7.646 9.557 1.00 0.00 C ATOM 1570 C LEU A 103 1.777 -9.084 9.046 1.00 0.00 C ATOM 1571 O LEU A 103 0.987 -9.501 8.195 1.00 0.00 O ATOM 1572 CB LEU A 103 2.812 -6.782 8.949 1.00 0.00 C ATOM 1573 CG LEU A 103 2.664 -6.391 7.467 1.00 0.00 C ATOM 1574 CD1 LEU A 103 2.984 -7.558 6.550 1.00 0.00 C ATOM 1575 CD2 LEU A 103 1.263 -5.865 7.187 1.00 0.00 C ATOM 0 H LEU A 103 2.549 -7.027 11.366 1.00 0.00 H new ATOM 0 HA LEU A 103 0.730 -7.233 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.890 -5.866 9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.755 -7.316 9.066 1.00 0.00 H new ATOM 0 HG LEU A 103 3.383 -5.598 7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.869 -7.247 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.010 -7.884 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.302 -8.383 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.180 -5.594 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.531 -6.637 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.074 -4.986 7.804 1.00 0.00 H new ATOM 1587 N PHE A 104 2.738 -9.834 9.577 1.00 0.00 N ATOM 1588 CA PHE A 104 2.875 -11.255 9.272 1.00 0.00 C ATOM 1589 C PHE A 104 1.561 -11.995 9.499 1.00 0.00 C ATOM 1590 O PHE A 104 1.090 -12.733 8.631 1.00 0.00 O ATOM 1591 CB PHE A 104 3.971 -11.877 10.142 1.00 0.00 C ATOM 1592 CG PHE A 104 3.966 -13.382 10.139 1.00 0.00 C ATOM 1593 CD1 PHE A 104 4.344 -14.093 9.014 1.00 0.00 C ATOM 1594 CD2 PHE A 104 3.573 -14.084 11.268 1.00 0.00 C ATOM 1595 CE1 PHE A 104 4.329 -15.475 9.013 1.00 0.00 C ATOM 1596 CE2 PHE A 104 3.559 -15.465 11.272 1.00 0.00 C ATOM 1597 CZ PHE A 104 3.937 -16.161 10.142 1.00 0.00 C ATOM 0 H PHE A 104 3.439 -9.477 10.226 1.00 0.00 H new ATOM 0 HA PHE A 104 3.147 -11.348 8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.942 -11.525 9.794 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.853 -11.524 11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.654 -13.562 8.126 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.274 -13.545 12.155 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.625 -16.017 8.127 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.252 -16.000 12.159 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.926 -17.241 10.142 1.00 0.00 H new ATOM 1607 N SER A 105 0.982 -11.787 10.674 1.00 0.00 N ATOM 1608 CA SER A 105 -0.253 -12.456 11.053 1.00 0.00 C ATOM 1609 C SER A 105 -1.380 -12.097 10.089 1.00 0.00 C ATOM 1610 O SER A 105 -2.193 -12.951 9.732 1.00 0.00 O ATOM 1611 CB SER A 105 -0.634 -12.090 12.487 1.00 0.00 C ATOM 1612 OG SER A 105 -1.600 -12.994 12.999 1.00 0.00 O ATOM 0 H SER A 105 1.352 -11.156 11.385 1.00 0.00 H new ATOM 0 HA SER A 105 -0.093 -13.533 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.254 -12.104 13.119 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.029 -11.075 12.515 1.00 0.00 H new ATOM 0 HG SER A 105 -2.475 -12.554 13.032 1.00 0.00 H new ATOM 1618 N ILE A 106 -1.410 -10.839 9.659 1.00 0.00 N ATOM 1619 CA ILE A 106 -2.385 -10.386 8.672 1.00 0.00 C ATOM 1620 C ILE A 106 -2.263 -11.203 7.389 1.00 0.00 C ATOM 1621 O ILE A 106 -3.245 -11.767 6.908 1.00 0.00 O ATOM 1622 CB ILE A 106 -2.209 -8.888 8.336 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -2.401 -8.036 9.593 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -3.191 -8.464 7.250 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -2.167 -6.556 9.368 1.00 0.00 C ATOM 0 H ILE A 106 -0.769 -10.114 9.980 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.373 -10.528 9.110 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.197 -8.734 7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.414 -8.182 9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.720 -8.389 10.368 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.052 -7.406 7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.013 -9.051 6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.211 -8.631 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.321 -6.017 10.303 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.146 -6.398 9.022 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.866 -6.187 8.617 1.00 0.00 H new ATOM 1637 N PHE A 107 -1.048 -11.282 6.859 1.00 0.00 N ATOM 1638 CA PHE A 107 -0.789 -12.038 5.638 1.00 0.00 C ATOM 1639 C PHE A 107 -1.180 -13.498 5.811 1.00 0.00 C ATOM 1640 O PHE A 107 -1.798 -14.098 4.929 1.00 0.00 O ATOM 1641 CB PHE A 107 0.690 -11.945 5.258 1.00 0.00 C ATOM 1642 CG PHE A 107 1.023 -10.809 4.334 1.00 0.00 C ATOM 1643 CD1 PHE A 107 0.596 -9.517 4.604 1.00 0.00 C ATOM 1644 CD2 PHE A 107 1.768 -11.039 3.186 1.00 0.00 C ATOM 1645 CE1 PHE A 107 0.904 -8.480 3.748 1.00 0.00 C ATOM 1646 CE2 PHE A 107 2.079 -10.005 2.327 1.00 0.00 C ATOM 1647 CZ PHE A 107 1.648 -8.724 2.607 1.00 0.00 C ATOM 0 H PHE A 107 -0.224 -10.831 7.256 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.393 -11.605 4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 107 1.281 -11.842 6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 107 0.991 -12.881 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.016 -9.321 5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 107 2.108 -12.039 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.565 -7.479 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 107 2.659 -10.198 1.437 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.891 -7.913 1.936 1.00 0.00 H new ATOM 1657 N ASN A 108 -0.822 -14.058 6.954 1.00 0.00 N ATOM 1658 CA ASN A 108 -1.115 -15.451 7.249 1.00 0.00 C ATOM 1659 C ASN A 108 -2.624 -15.692 7.298 1.00 0.00 C ATOM 1660 O ASN A 108 -3.147 -16.547 6.584 1.00 0.00 O ATOM 1661 CB ASN A 108 -0.466 -15.848 8.579 1.00 0.00 C ATOM 1662 CG ASN A 108 -0.686 -17.305 8.937 1.00 0.00 C ATOM 1663 OD1 ASN A 108 -0.812 -18.168 8.066 1.00 0.00 O ATOM 1664 ND2 ASN A 108 -0.724 -17.590 10.228 1.00 0.00 N ATOM 0 H ASN A 108 -0.325 -13.566 7.697 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.702 -16.070 6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.605 -15.651 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -0.868 -15.220 9.374 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -0.862 -18.553 10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -0.616 -16.846 10.918 1.00 0.00 H new ATOM 1671 N ARG A 109 -3.325 -14.906 8.108 1.00 0.00 N ATOM 1672 CA ARG A 109 -4.763 -15.086 8.301 1.00 0.00 C ATOM 1673 C ARG A 109 -5.541 -14.833 7.014 1.00 0.00 C ATOM 1674 O ARG A 109 -6.474 -15.570 6.692 1.00 0.00 O ATOM 1675 CB ARG A 109 -5.276 -14.176 9.424 1.00 0.00 C ATOM 1676 CG ARG A 109 -5.209 -14.817 10.804 1.00 0.00 C ATOM 1677 CD ARG A 109 -3.810 -15.317 11.131 1.00 0.00 C ATOM 1678 NE ARG A 109 -3.776 -16.099 12.367 1.00 0.00 N ATOM 1679 CZ ARG A 109 -3.664 -17.426 12.408 1.00 0.00 C ATOM 1680 NH1 ARG A 109 -3.599 -18.133 11.285 1.00 0.00 N ATOM 1681 NH2 ARG A 109 -3.616 -18.050 13.577 1.00 0.00 N ATOM 0 H ARG A 109 -2.922 -14.137 8.643 1.00 0.00 H new ATOM 0 HA ARG A 109 -4.927 -16.125 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.692 -13.256 9.431 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -6.308 -13.897 9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -5.520 -14.092 11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.912 -15.649 10.852 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.443 -15.928 10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.135 -14.466 11.223 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.842 -15.597 13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.635 -17.660 10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.513 -19.149 11.326 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -3.665 -17.514 14.444 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.530 -19.066 13.610 1.00 0.00 H new ATOM 1695 N PHE A 110 -5.146 -13.808 6.273 1.00 0.00 N ATOM 1696 CA PHE A 110 -5.815 -13.482 5.020 1.00 0.00 C ATOM 1697 C PHE A 110 -5.595 -14.584 3.989 1.00 0.00 C ATOM 1698 O PHE A 110 -6.507 -14.937 3.246 1.00 0.00 O ATOM 1699 CB PHE A 110 -5.333 -12.133 4.476 1.00 0.00 C ATOM 1700 CG PHE A 110 -5.977 -10.940 5.136 1.00 0.00 C ATOM 1701 CD1 PHE A 110 -6.214 -10.919 6.501 1.00 0.00 C ATOM 1702 CD2 PHE A 110 -6.340 -9.836 4.381 1.00 0.00 C ATOM 1703 CE1 PHE A 110 -6.804 -9.824 7.100 1.00 0.00 C ATOM 1704 CE2 PHE A 110 -6.930 -8.737 4.974 1.00 0.00 C ATOM 1705 CZ PHE A 110 -7.161 -8.731 6.335 1.00 0.00 C ATOM 0 H PHE A 110 -4.371 -13.191 6.515 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.884 -13.405 5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.253 -12.067 4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.531 -12.093 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.934 -11.770 7.104 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -6.159 -9.835 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.986 -9.822 8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -7.210 -7.884 4.374 1.00 0.00 H new ATOM 0 HZ PHE A 110 -7.621 -7.872 6.801 1.00 0.00 H new ATOM 1715 N ARG A 111 -4.394 -15.152 3.963 1.00 0.00 N ATOM 1716 CA ARG A 111 -4.100 -16.244 3.042 1.00 0.00 C ATOM 1717 C ARG A 111 -4.738 -17.551 3.501 1.00 0.00 C ATOM 1718 O ARG A 111 -5.014 -18.433 2.688 1.00 0.00 O ATOM 1719 CB ARG A 111 -2.593 -16.425 2.861 1.00 0.00 C ATOM 1720 CG ARG A 111 -1.981 -15.439 1.878 1.00 0.00 C ATOM 1721 CD ARG A 111 -2.679 -15.521 0.529 1.00 0.00 C ATOM 1722 NE ARG A 111 -2.026 -14.703 -0.490 1.00 0.00 N ATOM 1723 CZ ARG A 111 -2.433 -14.634 -1.759 1.00 0.00 C ATOM 1724 NH1 ARG A 111 -3.518 -15.295 -2.156 1.00 0.00 N ATOM 1725 NH2 ARG A 111 -1.757 -13.903 -2.633 1.00 0.00 N ATOM 0 H ARG A 111 -3.616 -14.878 4.562 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.533 -15.976 2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.102 -16.315 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -2.395 -17.440 2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.061 -14.426 2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -0.919 -15.651 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.701 -16.559 0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -3.715 -15.200 0.639 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.212 -14.153 -0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.044 -15.859 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.823 -15.238 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.925 -13.393 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -2.068 -13.850 -3.603 1.00 0.00 H new ATOM 1739 N ASN A 112 -4.962 -17.675 4.805 1.00 0.00 N ATOM 1740 CA ASN A 112 -5.661 -18.830 5.356 1.00 0.00 C ATOM 1741 C ASN A 112 -7.105 -18.844 4.876 1.00 0.00 C ATOM 1742 O ASN A 112 -7.642 -19.890 4.515 1.00 0.00 O ATOM 1743 CB ASN A 112 -5.624 -18.805 6.886 1.00 0.00 C ATOM 1744 CG ASN A 112 -4.379 -19.447 7.476 1.00 0.00 C ATOM 1745 OD1 ASN A 112 -3.265 -19.373 6.766 1.00 0.00 O flip ATOM 1746 ND2 ASN A 112 -4.421 -20.005 8.576 1.00 0.00 N flip ATOM 0 H ASN A 112 -4.669 -16.989 5.501 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.158 -19.733 5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.685 -17.771 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -6.505 -19.319 7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -5.298 -20.043 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.579 -20.428 8.966 1.00 0.00 H new ATOM 1753 N SER A 113 -7.720 -17.671 4.871 1.00 0.00 N ATOM 1754 CA SER A 113 -9.092 -17.532 4.415 1.00 0.00 C ATOM 1755 C SER A 113 -9.138 -17.522 2.889 1.00 0.00 C ATOM 1756 O SER A 113 -10.010 -18.139 2.277 1.00 0.00 O ATOM 1757 CB SER A 113 -9.702 -16.246 4.984 1.00 0.00 C ATOM 1758 OG SER A 113 -11.085 -16.145 4.689 1.00 0.00 O ATOM 0 H SER A 113 -7.288 -16.800 5.179 1.00 0.00 H new ATOM 0 HA SER A 113 -9.676 -18.380 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.558 -16.222 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.179 -15.383 4.573 1.00 0.00 H new ATOM 0 HG SER A 113 -11.441 -15.314 5.068 1.00 0.00 H new ATOM 1764 N GLY A 114 -8.180 -16.833 2.282 1.00 0.00 N ATOM 1765 CA GLY A 114 -8.133 -16.723 0.839 1.00 0.00 C ATOM 1766 C GLY A 114 -8.677 -15.394 0.366 1.00 0.00 C ATOM 1767 O GLY A 114 -8.406 -14.959 -0.754 1.00 0.00 O ATOM 0 H GLY A 114 -7.429 -16.345 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.104 -16.838 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.710 -17.533 0.392 1.00 0.00 H new ATOM 1771 N LYS A 115 -9.443 -14.754 1.235 1.00 0.00 N ATOM 1772 CA LYS A 115 -10.060 -13.484 0.948 1.00 0.00 C ATOM 1773 C LYS A 115 -9.331 -12.386 1.726 1.00 0.00 C ATOM 1774 O LYS A 115 -8.474 -12.681 2.557 1.00 0.00 O ATOM 1775 CB LYS A 115 -11.538 -13.591 1.345 1.00 0.00 C ATOM 1776 CG LYS A 115 -12.405 -12.405 0.989 1.00 0.00 C ATOM 1777 CD LYS A 115 -12.687 -11.546 2.212 1.00 0.00 C ATOM 1778 CE LYS A 115 -13.463 -12.310 3.280 1.00 0.00 C ATOM 1779 NZ LYS A 115 -13.495 -11.576 4.578 1.00 0.00 N ATOM 0 H LYS A 115 -9.651 -15.112 2.167 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.996 -13.228 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.958 -14.479 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.594 -13.747 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.910 -11.805 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -13.345 -12.753 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -11.745 -11.192 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.254 -10.664 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.483 -12.481 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -13.008 -13.289 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -14.060 -12.113 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -12.526 -11.464 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.922 -10.638 4.436 1.00 0.00 H new ATOM 1793 N GLY A 116 -9.686 -11.140 1.474 1.00 0.00 N ATOM 1794 CA GLY A 116 -8.993 -10.024 2.093 1.00 0.00 C ATOM 1795 C GLY A 116 -8.083 -9.319 1.111 1.00 0.00 C ATOM 1796 O GLY A 116 -7.486 -9.957 0.244 1.00 0.00 O ATOM 0 H GLY A 116 -10.447 -10.875 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.722 -9.316 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.407 -10.383 2.939 1.00 0.00 H new ATOM 1800 N PHE A 117 -7.979 -8.005 1.237 1.00 0.00 N ATOM 1801 CA PHE A 117 -7.206 -7.205 0.299 1.00 0.00 C ATOM 1802 C PHE A 117 -6.090 -6.457 1.020 1.00 0.00 C ATOM 1803 O PHE A 117 -6.284 -5.948 2.124 1.00 0.00 O ATOM 1804 CB PHE A 117 -8.120 -6.214 -0.426 1.00 0.00 C ATOM 1805 CG PHE A 117 -9.167 -6.864 -1.289 1.00 0.00 C ATOM 1806 CD1 PHE A 117 -10.325 -7.379 -0.728 1.00 0.00 C ATOM 1807 CD2 PHE A 117 -8.993 -6.956 -2.659 1.00 0.00 C ATOM 1808 CE1 PHE A 117 -11.288 -7.976 -1.519 1.00 0.00 C ATOM 1809 CE2 PHE A 117 -9.952 -7.551 -3.456 1.00 0.00 C ATOM 1810 CZ PHE A 117 -11.101 -8.062 -2.885 1.00 0.00 C ATOM 0 H PHE A 117 -8.422 -7.468 1.983 1.00 0.00 H new ATOM 0 HA PHE A 117 -6.755 -7.874 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.614 -5.584 0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -7.508 -5.559 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -10.476 -7.313 0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -8.096 -6.558 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -12.186 -8.375 -1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.803 -7.616 -4.524 1.00 0.00 H new ATOM 0 HZ PHE A 117 -11.852 -8.528 -3.505 1.00 0.00 H new ATOM 1820 N LEU A 118 -4.929 -6.378 0.383 1.00 0.00 N ATOM 1821 CA LEU A 118 -3.759 -5.764 0.993 1.00 0.00 C ATOM 1822 C LEU A 118 -3.025 -4.893 -0.022 1.00 0.00 C ATOM 1823 O LEU A 118 -2.748 -5.332 -1.139 1.00 0.00 O ATOM 1824 CB LEU A 118 -2.811 -6.849 1.516 1.00 0.00 C ATOM 1825 CG LEU A 118 -2.292 -6.661 2.947 1.00 0.00 C ATOM 1826 CD1 LEU A 118 -1.578 -5.328 3.100 1.00 0.00 C ATOM 1827 CD2 LEU A 118 -3.430 -6.775 3.944 1.00 0.00 C ATOM 0 H LEU A 118 -4.773 -6.734 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.089 -5.140 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.325 -7.809 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.954 -6.908 0.845 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.571 -7.453 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.221 -5.222 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.731 -5.288 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -2.269 -4.517 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.044 -6.639 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.176 -6.008 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.889 -7.760 3.861 1.00 0.00 H new ATOM 1839 N LEU A 119 -2.725 -3.663 0.366 1.00 0.00 N ATOM 1840 CA LEU A 119 -1.947 -2.758 -0.468 1.00 0.00 C ATOM 1841 C LEU A 119 -0.778 -2.192 0.328 1.00 0.00 C ATOM 1842 O LEU A 119 -0.970 -1.481 1.318 1.00 0.00 O ATOM 1843 CB LEU A 119 -2.828 -1.621 -0.997 1.00 0.00 C ATOM 1844 CG LEU A 119 -2.121 -0.613 -1.911 1.00 0.00 C ATOM 1845 CD1 LEU A 119 -1.604 -1.294 -3.169 1.00 0.00 C ATOM 1846 CD2 LEU A 119 -3.056 0.531 -2.272 1.00 0.00 C ATOM 0 H LEU A 119 -3.011 -3.266 1.261 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.559 -3.316 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.665 -2.056 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.247 -1.083 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.269 -0.204 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.106 -0.559 -3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.896 -2.076 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.439 -1.735 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.536 1.235 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.930 0.137 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.374 1.042 -1.363 1.00 0.00 H new ATOM 1858 N LEU A 120 0.430 -2.527 -0.091 1.00 0.00 N ATOM 1859 CA LEU A 120 1.628 -2.055 0.582 1.00 0.00 C ATOM 1860 C LEU A 120 2.401 -1.095 -0.309 1.00 0.00 C ATOM 1861 O LEU A 120 2.772 -1.443 -1.429 1.00 0.00 O ATOM 1862 CB LEU A 120 2.522 -3.234 0.969 1.00 0.00 C ATOM 1863 CG LEU A 120 1.941 -4.184 2.016 1.00 0.00 C ATOM 1864 CD1 LEU A 120 2.891 -5.345 2.256 1.00 0.00 C ATOM 1865 CD2 LEU A 120 1.671 -3.442 3.316 1.00 0.00 C ATOM 0 H LEU A 120 0.608 -3.126 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 120 1.323 -1.528 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.748 -3.807 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.468 -2.843 1.344 1.00 0.00 H new ATOM 0 HG LEU A 120 0.996 -4.578 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.466 -6.014 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.042 -5.890 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.848 -4.964 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.258 -4.133 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.603 -3.023 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.959 -2.637 3.134 1.00 0.00 H new ATOM 1877 N GLY A 121 2.630 0.113 0.188 1.00 0.00 N ATOM 1878 CA GLY A 121 3.408 1.087 -0.550 1.00 0.00 C ATOM 1879 C GLY A 121 4.704 1.408 0.159 1.00 0.00 C ATOM 1880 O GLY A 121 4.705 2.110 1.168 1.00 0.00 O ATOM 0 H GLY A 121 2.289 0.436 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 121 3.622 0.704 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 121 2.825 1.999 -0.678 1.00 0.00 H new ATOM 1884 N SER A 122 5.804 0.887 -0.360 1.00 0.00 N ATOM 1885 CA SER A 122 7.097 1.039 0.291 1.00 0.00 C ATOM 1886 C SER A 122 8.154 1.555 -0.674 1.00 0.00 C ATOM 1887 O SER A 122 7.869 1.829 -1.844 1.00 0.00 O ATOM 1888 CB SER A 122 7.532 -0.299 0.885 1.00 0.00 C ATOM 1889 OG SER A 122 6.736 -0.629 2.007 1.00 0.00 O ATOM 0 H SER A 122 5.828 0.355 -1.230 1.00 0.00 H new ATOM 0 HA SER A 122 6.992 1.776 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.449 -1.082 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.581 -0.249 1.179 1.00 0.00 H new ATOM 0 HG SER A 122 7.130 -0.237 2.814 1.00 0.00 H new ATOM 1895 N GLU A 123 9.367 1.709 -0.168 1.00 0.00 N ATOM 1896 CA GLU A 123 10.483 2.166 -0.974 1.00 0.00 C ATOM 1897 C GLU A 123 11.385 0.986 -1.336 1.00 0.00 C ATOM 1898 O GLU A 123 12.023 0.395 -0.462 1.00 0.00 O ATOM 1899 CB GLU A 123 11.279 3.233 -0.212 1.00 0.00 C ATOM 1900 CG GLU A 123 12.371 3.896 -1.034 1.00 0.00 C ATOM 1901 CD GLU A 123 11.817 4.794 -2.118 1.00 0.00 C ATOM 1902 OE1 GLU A 123 11.456 4.284 -3.200 1.00 0.00 O ATOM 1903 OE2 GLU A 123 11.735 6.019 -1.890 1.00 0.00 O ATOM 0 H GLU A 123 9.603 1.522 0.807 1.00 0.00 H new ATOM 0 HA GLU A 123 10.100 2.607 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.591 4.000 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.729 2.775 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.013 4.481 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.997 3.127 -1.488 1.00 0.00 H new ATOM 1910 N TYR A 124 11.411 0.649 -2.626 1.00 0.00 N ATOM 1911 CA TYR A 124 12.241 -0.438 -3.158 1.00 0.00 C ATOM 1912 C TYR A 124 11.694 -1.813 -2.767 1.00 0.00 C ATOM 1913 O TYR A 124 10.632 -1.928 -2.154 1.00 0.00 O ATOM 1914 CB TYR A 124 13.710 -0.303 -2.722 1.00 0.00 C ATOM 1915 CG TYR A 124 14.368 0.980 -3.184 1.00 0.00 C ATOM 1916 CD1 TYR A 124 14.409 1.314 -4.530 1.00 0.00 C ATOM 1917 CD2 TYR A 124 14.938 1.861 -2.275 1.00 0.00 C ATOM 1918 CE1 TYR A 124 15.001 2.487 -4.958 1.00 0.00 C ATOM 1919 CE2 TYR A 124 15.533 3.036 -2.695 1.00 0.00 C ATOM 1920 CZ TYR A 124 15.558 3.347 -4.037 1.00 0.00 C ATOM 1921 OH TYR A 124 16.150 4.518 -4.459 1.00 0.00 O ATOM 0 H TYR A 124 10.855 1.124 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 124 12.202 -0.354 -4.244 1.00 0.00 H new ATOM 0 HB2 TYR A 124 13.763 -0.357 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 124 14.274 -1.151 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 124 13.971 0.645 -5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 124 14.916 1.624 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 124 15.027 2.729 -6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 124 15.976 3.707 -1.974 1.00 0.00 H new ATOM 0 HH TYR A 124 16.492 5.010 -3.683 1.00 0.00 H new ATOM 1931 N THR A 125 12.422 -2.849 -3.152 1.00 0.00 N ATOM 1932 CA THR A 125 11.964 -4.221 -2.988 1.00 0.00 C ATOM 1933 C THR A 125 12.291 -4.768 -1.594 1.00 0.00 C ATOM 1934 O THR A 125 13.237 -4.312 -0.948 1.00 0.00 O ATOM 1935 CB THR A 125 12.594 -5.123 -4.069 1.00 0.00 C ATOM 1936 OG1 THR A 125 14.016 -4.945 -4.080 1.00 0.00 O ATOM 1937 CG2 THR A 125 12.028 -4.787 -5.442 1.00 0.00 C ATOM 0 H THR A 125 13.342 -2.765 -3.585 1.00 0.00 H new ATOM 0 HA THR A 125 10.880 -4.222 -3.099 1.00 0.00 H new ATOM 0 HB THR A 125 12.357 -6.161 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.412 -5.521 -4.767 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.484 -5.433 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 125 10.949 -4.941 -5.438 1.00 0.00 H new ATOM 0 HG23 THR A 125 12.245 -3.746 -5.680 1.00 0.00 H new ATOM 1945 N PRO A 126 11.516 -5.770 -1.125 1.00 0.00 N ATOM 1946 CA PRO A 126 11.650 -6.337 0.230 1.00 0.00 C ATOM 1947 C PRO A 126 13.035 -6.915 0.526 1.00 0.00 C ATOM 1948 O PRO A 126 13.425 -7.050 1.687 1.00 0.00 O ATOM 1949 CB PRO A 126 10.608 -7.460 0.252 1.00 0.00 C ATOM 1950 CG PRO A 126 9.625 -7.089 -0.802 1.00 0.00 C ATOM 1951 CD PRO A 126 10.430 -6.426 -1.878 1.00 0.00 C ATOM 0 HA PRO A 126 11.507 -5.565 0.986 1.00 0.00 H new ATOM 0 HB2 PRO A 126 11.065 -8.427 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 126 10.130 -7.537 1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 126 9.107 -7.969 -1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 126 8.863 -6.416 -0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 126 10.817 -7.149 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 126 9.836 -5.705 -2.440 1.00 0.00 H new ATOM 1959 N GLN A 127 13.770 -7.269 -0.517 1.00 0.00 N ATOM 1960 CA GLN A 127 15.109 -7.826 -0.345 1.00 0.00 C ATOM 1961 C GLN A 127 16.134 -6.723 -0.105 1.00 0.00 C ATOM 1962 O GLN A 127 17.225 -6.973 0.405 1.00 0.00 O ATOM 1963 CB GLN A 127 15.510 -8.676 -1.544 1.00 0.00 C ATOM 1964 CG GLN A 127 14.672 -9.937 -1.676 1.00 0.00 C ATOM 1965 CD GLN A 127 13.330 -9.687 -2.337 1.00 0.00 C ATOM 1966 OE1 GLN A 127 13.303 -8.779 -3.299 1.00 0.00 O flip ATOM 1967 NE2 GLN A 127 12.336 -10.329 -2.009 1.00 0.00 N flip ATOM 0 H GLN A 127 13.467 -7.183 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 127 15.087 -8.470 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 127 15.412 -8.083 -2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 127 16.561 -8.951 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 127 15.225 -10.676 -2.256 1.00 0.00 H new ATOM 0 HG3 GLN A 127 14.510 -10.365 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 127 12.399 -11.020 -1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 127 11.447 -10.171 -2.484 1.00 0.00 H new ATOM 1976 N GLN A 128 15.774 -5.500 -0.470 1.00 0.00 N ATOM 1977 CA GLN A 128 16.632 -4.347 -0.232 1.00 0.00 C ATOM 1978 C GLN A 128 16.271 -3.697 1.097 1.00 0.00 C ATOM 1979 O GLN A 128 17.021 -2.879 1.629 1.00 0.00 O ATOM 1980 CB GLN A 128 16.512 -3.335 -1.374 1.00 0.00 C ATOM 1981 CG GLN A 128 17.061 -3.846 -2.694 1.00 0.00 C ATOM 1982 CD GLN A 128 16.947 -2.821 -3.805 1.00 0.00 C ATOM 1983 OE1 GLN A 128 17.843 -2.002 -4.004 1.00 0.00 O ATOM 1984 NE2 GLN A 128 15.850 -2.869 -4.542 1.00 0.00 N ATOM 0 H GLN A 128 14.892 -5.280 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 128 17.667 -4.686 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 128 15.463 -3.068 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 128 17.041 -2.423 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 128 18.107 -4.123 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 128 16.524 -4.750 -2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 128 15.131 -3.565 -4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 128 15.722 -2.210 -5.310 1.00 0.00 H new ATOM 1993 N LEU A 129 15.113 -4.077 1.624 1.00 0.00 N ATOM 1994 CA LEU A 129 14.653 -3.593 2.912 1.00 0.00 C ATOM 1995 C LEU A 129 15.106 -4.530 4.024 1.00 0.00 C ATOM 1996 O LEU A 129 15.001 -5.755 3.903 1.00 0.00 O ATOM 1997 CB LEU A 129 13.127 -3.479 2.917 1.00 0.00 C ATOM 1998 CG LEU A 129 12.550 -2.478 1.918 1.00 0.00 C ATOM 1999 CD1 LEU A 129 11.031 -2.482 1.977 1.00 0.00 C ATOM 2000 CD2 LEU A 129 13.092 -1.083 2.191 1.00 0.00 C ATOM 0 H LEU A 129 14.472 -4.727 1.170 1.00 0.00 H new ATOM 0 HA LEU A 129 15.084 -2.607 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.704 -4.462 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 129 12.802 -3.198 3.919 1.00 0.00 H new ATOM 0 HG LEU A 129 12.855 -2.776 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 129 10.637 -1.763 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 129 10.660 -3.478 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.705 -2.208 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.671 -0.382 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 129 12.816 -0.776 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 129 14.178 -1.090 2.099 1.00 0.00 H new ATOM 2012 N VAL A 130 15.613 -3.960 5.102 1.00 0.00 N ATOM 2013 CA VAL A 130 16.066 -4.751 6.233 1.00 0.00 C ATOM 2014 C VAL A 130 14.940 -4.917 7.244 1.00 0.00 C ATOM 2015 O VAL A 130 14.758 -4.093 8.142 1.00 0.00 O ATOM 2016 CB VAL A 130 17.300 -4.126 6.919 1.00 0.00 C ATOM 2017 CG1 VAL A 130 17.825 -5.032 8.026 1.00 0.00 C ATOM 2018 CG2 VAL A 130 18.391 -3.849 5.899 1.00 0.00 C ATOM 0 H VAL A 130 15.722 -2.953 5.219 1.00 0.00 H new ATOM 0 HA VAL A 130 16.359 -5.728 5.849 1.00 0.00 H new ATOM 0 HB VAL A 130 16.995 -3.181 7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 130 18.694 -4.569 8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 130 17.047 -5.181 8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 130 18.110 -5.995 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 130 19.253 -3.409 6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 130 18.687 -4.782 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 130 18.017 -3.157 5.145 1.00 0.00 H new ATOM 2028 N ILE A 131 14.160 -5.968 7.052 1.00 0.00 N ATOM 2029 CA ILE A 131 13.066 -6.296 7.949 1.00 0.00 C ATOM 2030 C ILE A 131 13.290 -7.681 8.533 1.00 0.00 C ATOM 2031 O ILE A 131 14.332 -8.296 8.285 1.00 0.00 O ATOM 2032 CB ILE A 131 11.702 -6.256 7.223 1.00 0.00 C ATOM 2033 CG1 ILE A 131 11.715 -7.186 6.005 1.00 0.00 C ATOM 2034 CG2 ILE A 131 11.362 -4.829 6.814 1.00 0.00 C ATOM 2035 CD1 ILE A 131 10.402 -7.233 5.254 1.00 0.00 C ATOM 0 H ILE A 131 14.267 -6.616 6.272 1.00 0.00 H new ATOM 0 HA ILE A 131 13.045 -5.550 8.744 1.00 0.00 H new ATOM 0 HB ILE A 131 10.931 -6.607 7.909 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.501 -6.863 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.971 -8.194 6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 131 10.399 -4.816 6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.311 -4.199 7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.133 -4.449 6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.492 -7.912 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 131 9.614 -7.586 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.153 -6.235 4.894 1.00 0.00 H new ATOM 2047 N ARG A 132 12.331 -8.176 9.303 1.00 0.00 N ATOM 2048 CA ARG A 132 12.448 -9.510 9.865 1.00 0.00 C ATOM 2049 C ARG A 132 12.478 -10.534 8.735 1.00 0.00 C ATOM 2050 O ARG A 132 11.655 -10.478 7.818 1.00 0.00 O ATOM 2051 CB ARG A 132 11.300 -9.807 10.836 1.00 0.00 C ATOM 2052 CG ARG A 132 11.112 -8.736 11.898 1.00 0.00 C ATOM 2053 CD ARG A 132 10.262 -9.231 13.058 1.00 0.00 C ATOM 2054 NE ARG A 132 11.040 -10.037 13.997 1.00 0.00 N ATOM 2055 CZ ARG A 132 10.544 -10.585 15.105 1.00 0.00 C ATOM 2056 NH1 ARG A 132 9.249 -10.490 15.381 1.00 0.00 N ATOM 2057 NH2 ARG A 132 11.348 -11.245 15.928 1.00 0.00 N ATOM 0 H ARG A 132 11.475 -7.680 9.549 1.00 0.00 H new ATOM 0 HA ARG A 132 13.377 -9.571 10.432 1.00 0.00 H new ATOM 0 HB2 ARG A 132 10.374 -9.913 10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 132 11.486 -10.763 11.325 1.00 0.00 H new ATOM 0 HG2 ARG A 132 12.086 -8.419 12.271 1.00 0.00 H new ATOM 0 HG3 ARG A 132 10.642 -7.860 11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 132 9.830 -8.378 13.582 1.00 0.00 H new ATOM 0 HD3 ARG A 132 9.431 -9.822 12.673 1.00 0.00 H new ATOM 0 HE ARG A 132 12.027 -10.190 13.790 1.00 0.00 H new ATOM 0 HH11 ARG A 132 8.626 -9.995 14.743 1.00 0.00 H new ATOM 0 HH12 ARG A 132 8.876 -10.912 16.231 1.00 0.00 H new ATOM 0 HH21 ARG A 132 12.341 -11.331 15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 132 10.973 -11.667 16.778 1.00 0.00 H new ATOM 2071 N GLU A 133 13.436 -11.453 8.804 1.00 0.00 N ATOM 2072 CA GLU A 133 13.699 -12.396 7.719 1.00 0.00 C ATOM 2073 C GLU A 133 12.455 -13.204 7.353 1.00 0.00 C ATOM 2074 O GLU A 133 12.158 -13.403 6.173 1.00 0.00 O ATOM 2075 CB GLU A 133 14.836 -13.335 8.119 1.00 0.00 C ATOM 2076 CG GLU A 133 15.260 -14.295 7.024 1.00 0.00 C ATOM 2077 CD GLU A 133 16.518 -15.046 7.386 1.00 0.00 C ATOM 2078 OE1 GLU A 133 17.619 -14.484 7.199 1.00 0.00 O ATOM 2079 OE2 GLU A 133 16.418 -16.191 7.868 1.00 0.00 O ATOM 0 H GLU A 133 14.051 -11.566 9.610 1.00 0.00 H new ATOM 0 HA GLU A 133 13.987 -11.822 6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 133 15.698 -12.738 8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 133 14.528 -13.910 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 133 14.456 -15.006 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 133 15.422 -13.741 6.099 1.00 0.00 H new ATOM 2086 N ASP A 134 11.725 -13.651 8.364 1.00 0.00 N ATOM 2087 CA ASP A 134 10.535 -14.460 8.136 1.00 0.00 C ATOM 2088 C ASP A 134 9.485 -13.660 7.381 1.00 0.00 C ATOM 2089 O ASP A 134 8.839 -14.173 6.473 1.00 0.00 O ATOM 2090 CB ASP A 134 9.961 -14.964 9.461 1.00 0.00 C ATOM 2091 CG ASP A 134 8.762 -15.868 9.267 1.00 0.00 C ATOM 2092 OD1 ASP A 134 8.954 -17.047 8.907 1.00 0.00 O ATOM 2093 OD2 ASP A 134 7.624 -15.412 9.493 1.00 0.00 O ATOM 0 H ASP A 134 11.933 -13.469 9.346 1.00 0.00 H new ATOM 0 HA ASP A 134 10.820 -15.322 7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 134 10.735 -15.504 10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.673 -14.112 10.076 1.00 0.00 H new ATOM 2098 N LEU A 135 9.353 -12.388 7.733 1.00 0.00 N ATOM 2099 CA LEU A 135 8.375 -11.514 7.103 1.00 0.00 C ATOM 2100 C LEU A 135 8.702 -11.307 5.623 1.00 0.00 C ATOM 2101 O LEU A 135 7.802 -11.229 4.786 1.00 0.00 O ATOM 2102 CB LEU A 135 8.326 -10.162 7.825 1.00 0.00 C ATOM 2103 CG LEU A 135 7.290 -9.172 7.284 1.00 0.00 C ATOM 2104 CD1 LEU A 135 5.880 -9.719 7.460 1.00 0.00 C ATOM 2105 CD2 LEU A 135 7.431 -7.823 7.974 1.00 0.00 C ATOM 0 H LEU A 135 9.915 -11.938 8.455 1.00 0.00 H new ATOM 0 HA LEU A 135 7.397 -11.991 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.120 -10.339 8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 135 9.312 -9.701 7.766 1.00 0.00 H new ATOM 0 HG LEU A 135 7.471 -9.034 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.160 -9.000 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.784 -10.660 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.685 -9.889 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.687 -7.132 7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 135 7.278 -7.945 9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 135 8.429 -7.424 7.793 1.00 0.00 H new ATOM 2117 N ARG A 136 9.991 -11.250 5.304 1.00 0.00 N ATOM 2118 CA ARG A 136 10.436 -11.017 3.932 1.00 0.00 C ATOM 2119 C ARG A 136 9.953 -12.126 2.999 1.00 0.00 C ATOM 2120 O ARG A 136 9.517 -11.855 1.883 1.00 0.00 O ATOM 2121 CB ARG A 136 11.966 -10.910 3.878 1.00 0.00 C ATOM 2122 CG ARG A 136 12.523 -10.736 2.472 1.00 0.00 C ATOM 2123 CD ARG A 136 14.045 -10.695 2.466 1.00 0.00 C ATOM 2124 NE ARG A 136 14.572 -9.479 3.085 1.00 0.00 N ATOM 2125 CZ ARG A 136 15.628 -9.452 3.901 1.00 0.00 C ATOM 2126 NH1 ARG A 136 16.277 -10.575 4.197 1.00 0.00 N ATOM 2127 NH2 ARG A 136 16.051 -8.299 4.401 1.00 0.00 N ATOM 0 H ARG A 136 10.748 -11.362 5.978 1.00 0.00 H new ATOM 0 HA ARG A 136 10.002 -10.076 3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.283 -10.066 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.399 -11.807 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 136 12.179 -11.556 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 136 12.133 -9.815 2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 136 14.431 -11.566 2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 136 14.404 -10.761 1.439 1.00 0.00 H new ATOM 0 HE ARG A 136 14.103 -8.597 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 136 15.968 -11.462 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 136 17.083 -10.549 4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.569 -7.432 4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.858 -8.279 5.025 1.00 0.00 H new ATOM 2141 N THR A 137 10.004 -13.370 3.455 1.00 0.00 N ATOM 2142 CA THR A 137 9.597 -14.482 2.611 1.00 0.00 C ATOM 2143 C THR A 137 8.069 -14.571 2.526 1.00 0.00 C ATOM 2144 O THR A 137 7.529 -15.166 1.595 1.00 0.00 O ATOM 2145 CB THR A 137 10.192 -15.834 3.082 1.00 0.00 C ATOM 2146 OG1 THR A 137 9.958 -16.845 2.090 1.00 0.00 O ATOM 2147 CG2 THR A 137 9.593 -16.279 4.406 1.00 0.00 C ATOM 0 H THR A 137 10.318 -13.631 4.390 1.00 0.00 H new ATOM 0 HA THR A 137 9.997 -14.284 1.617 1.00 0.00 H new ATOM 0 HB THR A 137 11.263 -15.692 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 137 10.338 -17.696 2.394 1.00 0.00 H new ATOM 0 HG21 THR A 137 10.034 -17.230 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 137 9.799 -15.529 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 137 8.515 -16.398 4.296 1.00 0.00 H new ATOM 2155 N ARG A 138 7.372 -13.972 3.494 1.00 0.00 N ATOM 2156 CA ARG A 138 5.913 -13.919 3.459 1.00 0.00 C ATOM 2157 C ARG A 138 5.451 -12.856 2.473 1.00 0.00 C ATOM 2158 O ARG A 138 4.343 -12.920 1.947 1.00 0.00 O ATOM 2159 CB ARG A 138 5.356 -13.615 4.845 1.00 0.00 C ATOM 2160 CG ARG A 138 5.998 -14.443 5.941 1.00 0.00 C ATOM 2161 CD ARG A 138 5.735 -15.930 5.773 1.00 0.00 C ATOM 2162 NE ARG A 138 6.479 -16.715 6.756 1.00 0.00 N ATOM 2163 CZ ARG A 138 6.264 -18.005 7.003 1.00 0.00 C ATOM 2164 NH1 ARG A 138 5.320 -18.667 6.342 1.00 0.00 N ATOM 2165 NH2 ARG A 138 7.001 -18.631 7.908 1.00 0.00 N ATOM 0 H ARG A 138 7.793 -13.520 4.306 1.00 0.00 H new ATOM 0 HA ARG A 138 5.541 -14.891 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 138 5.502 -12.557 5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 138 4.281 -13.795 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 138 7.073 -14.265 5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.618 -14.117 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.668 -16.127 5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 138 6.018 -16.240 4.767 1.00 0.00 H new ATOM 0 HE ARG A 138 7.211 -16.243 7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 138 4.756 -18.187 5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 138 5.160 -19.656 6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.729 -18.125 8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.840 -19.620 8.101 1.00 0.00 H new ATOM 2179 N MET A 139 6.326 -11.889 2.216 1.00 0.00 N ATOM 2180 CA MET A 139 6.048 -10.814 1.267 1.00 0.00 C ATOM 2181 C MET A 139 5.851 -11.370 -0.141 1.00 0.00 C ATOM 2182 O MET A 139 5.239 -10.732 -0.993 1.00 0.00 O ATOM 2183 CB MET A 139 7.193 -9.799 1.272 1.00 0.00 C ATOM 2184 CG MET A 139 7.264 -8.960 2.535 1.00 0.00 C ATOM 2185 SD MET A 139 5.820 -7.903 2.745 1.00 0.00 S ATOM 2186 CE MET A 139 6.255 -7.038 4.250 1.00 0.00 C ATOM 0 H MET A 139 7.244 -11.827 2.657 1.00 0.00 H new ATOM 0 HA MET A 139 5.127 -10.317 1.573 1.00 0.00 H new ATOM 0 HB2 MET A 139 8.137 -10.330 1.146 1.00 0.00 H new ATOM 0 HB3 MET A 139 7.083 -9.137 0.413 1.00 0.00 H new ATOM 0 HG2 MET A 139 7.357 -9.618 3.399 1.00 0.00 H new ATOM 0 HG3 MET A 139 8.161 -8.342 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 139 5.748 -6.074 4.275 1.00 0.00 H new ATOM 0 HE2 MET A 139 5.949 -7.631 5.112 1.00 0.00 H new ATOM 0 HE3 MET A 139 7.333 -6.882 4.281 1.00 0.00 H new ATOM 2196 N ALA A 140 6.362 -12.574 -0.373 1.00 0.00 N ATOM 2197 CA ALA A 140 6.217 -13.237 -1.666 1.00 0.00 C ATOM 2198 C ALA A 140 4.794 -13.764 -1.863 1.00 0.00 C ATOM 2199 O ALA A 140 4.451 -14.278 -2.930 1.00 0.00 O ATOM 2200 CB ALA A 140 7.224 -14.371 -1.793 1.00 0.00 C ATOM 0 H ALA A 140 6.882 -13.113 0.319 1.00 0.00 H new ATOM 0 HA ALA A 140 6.413 -12.501 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 140 7.105 -14.857 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 140 8.235 -13.971 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.055 -15.098 -0.999 1.00 0.00 H new ATOM 2206 N TYR A 141 3.966 -13.636 -0.834 1.00 0.00 N ATOM 2207 CA TYR A 141 2.585 -14.085 -0.908 1.00 0.00 C ATOM 2208 C TYR A 141 1.657 -12.953 -1.348 1.00 0.00 C ATOM 2209 O TYR A 141 0.441 -13.019 -1.161 1.00 0.00 O ATOM 2210 CB TYR A 141 2.135 -14.667 0.433 1.00 0.00 C ATOM 2211 CG TYR A 141 2.671 -16.062 0.692 1.00 0.00 C ATOM 2212 CD1 TYR A 141 1.993 -17.182 0.222 1.00 0.00 C ATOM 2213 CD2 TYR A 141 3.854 -16.260 1.396 1.00 0.00 C ATOM 2214 CE1 TYR A 141 2.478 -18.457 0.450 1.00 0.00 C ATOM 2215 CE2 TYR A 141 4.345 -17.535 1.624 1.00 0.00 C ATOM 2216 CZ TYR A 141 3.653 -18.629 1.147 1.00 0.00 C ATOM 2217 OH TYR A 141 4.137 -19.901 1.366 1.00 0.00 O ATOM 0 H TYR A 141 4.229 -13.224 0.062 1.00 0.00 H new ATOM 0 HA TYR A 141 2.528 -14.872 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.460 -14.005 1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 141 1.046 -14.693 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 141 1.073 -17.054 -0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 141 4.399 -15.406 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 141 1.936 -19.316 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 141 5.265 -17.672 2.173 1.00 0.00 H new ATOM 0 HH TYR A 141 4.975 -19.850 1.872 1.00 0.00 H new ATOM 2227 N CYS A 142 2.237 -11.920 -1.945 1.00 0.00 N ATOM 2228 CA CYS A 142 1.472 -10.859 -2.565 1.00 0.00 C ATOM 2229 C CYS A 142 2.103 -10.518 -3.906 1.00 0.00 C ATOM 2230 O CYS A 142 3.248 -10.891 -4.168 1.00 0.00 O ATOM 2231 CB CYS A 142 1.409 -9.624 -1.662 1.00 0.00 C ATOM 2232 SG CYS A 142 3.007 -8.861 -1.291 1.00 0.00 S ATOM 0 H CYS A 142 3.248 -11.799 -2.010 1.00 0.00 H new ATOM 0 HA CYS A 142 0.447 -11.197 -2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 142 0.770 -8.879 -2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 142 0.931 -9.904 -0.723 1.00 0.00 H new ATOM 0 HG CYS A 142 3.914 -9.786 -1.181 1.00 0.00 H new ATOM 2238 N LEU A 143 1.358 -9.835 -4.756 1.00 0.00 N ATOM 2239 CA LEU A 143 1.852 -9.475 -6.077 1.00 0.00 C ATOM 2240 C LEU A 143 2.654 -8.185 -6.004 1.00 0.00 C ATOM 2241 O LEU A 143 2.432 -7.361 -5.126 1.00 0.00 O ATOM 2242 CB LEU A 143 0.699 -9.309 -7.074 1.00 0.00 C ATOM 2243 CG LEU A 143 -0.052 -10.584 -7.449 1.00 0.00 C ATOM 2244 CD1 LEU A 143 -1.027 -10.997 -6.352 1.00 0.00 C ATOM 2245 CD2 LEU A 143 -0.771 -10.406 -8.778 1.00 0.00 C ATOM 0 H LEU A 143 0.409 -9.518 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 143 2.495 -10.283 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -0.016 -8.600 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 143 1.095 -8.863 -7.986 1.00 0.00 H new ATOM 0 HG LEU A 143 0.678 -11.386 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.546 -11.908 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -0.479 -11.177 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -1.754 -10.201 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -1.301 -11.324 -9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -1.484 -9.585 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -0.044 -10.181 -9.558 1.00 0.00 H new ATOM 2257 N VAL A 144 3.569 -8.006 -6.939 1.00 0.00 N ATOM 2258 CA VAL A 144 4.415 -6.829 -6.948 1.00 0.00 C ATOM 2259 C VAL A 144 4.202 -6.040 -8.233 1.00 0.00 C ATOM 2260 O VAL A 144 4.446 -6.542 -9.329 1.00 0.00 O ATOM 2261 CB VAL A 144 5.909 -7.201 -6.810 1.00 0.00 C ATOM 2262 CG1 VAL A 144 6.781 -5.959 -6.789 1.00 0.00 C ATOM 2263 CG2 VAL A 144 6.144 -8.045 -5.565 1.00 0.00 C ATOM 0 H VAL A 144 3.745 -8.661 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 144 4.137 -6.216 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 144 6.188 -7.793 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 144 7.827 -6.250 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 144 6.644 -5.403 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 144 6.499 -5.331 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 144 7.202 -8.295 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 144 5.839 -7.483 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 144 5.559 -8.962 -5.631 1.00 0.00 H new ATOM 2273 N TYR A 145 3.720 -4.818 -8.093 1.00 0.00 N ATOM 2274 CA TYR A 145 3.541 -3.936 -9.238 1.00 0.00 C ATOM 2275 C TYR A 145 4.711 -2.973 -9.355 1.00 0.00 C ATOM 2276 O TYR A 145 5.030 -2.247 -8.410 1.00 0.00 O ATOM 2277 CB TYR A 145 2.236 -3.144 -9.141 1.00 0.00 C ATOM 2278 CG TYR A 145 1.005 -3.903 -9.585 1.00 0.00 C ATOM 2279 CD1 TYR A 145 1.094 -4.967 -10.475 1.00 0.00 C ATOM 2280 CD2 TYR A 145 -0.253 -3.535 -9.128 1.00 0.00 C ATOM 2281 CE1 TYR A 145 -0.039 -5.642 -10.893 1.00 0.00 C ATOM 2282 CE2 TYR A 145 -1.385 -4.206 -9.538 1.00 0.00 C ATOM 2283 CZ TYR A 145 -1.274 -5.257 -10.420 1.00 0.00 C ATOM 2284 OH TYR A 145 -2.402 -5.927 -10.830 1.00 0.00 O ATOM 0 H TYR A 145 3.445 -4.412 -7.199 1.00 0.00 H new ATOM 0 HA TYR A 145 3.495 -4.564 -10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 145 2.097 -2.823 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 145 2.328 -2.242 -9.745 1.00 0.00 H new ATOM 0 HD1 TYR A 145 2.062 -5.271 -10.846 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -0.346 -2.708 -8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 145 0.044 -6.466 -11.586 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -2.355 -3.908 -9.169 1.00 0.00 H new ATOM 0 HH TYR A 145 -3.191 -5.532 -10.403 1.00 0.00 H new ATOM 2294 N GLU A 146 5.358 -2.984 -10.510 1.00 0.00 N ATOM 2295 CA GLU A 146 6.442 -2.057 -10.787 1.00 0.00 C ATOM 2296 C GLU A 146 5.872 -0.707 -11.217 1.00 0.00 C ATOM 2297 O GLU A 146 5.037 -0.629 -12.121 1.00 0.00 O ATOM 2298 CB GLU A 146 7.395 -2.636 -11.848 1.00 0.00 C ATOM 2299 CG GLU A 146 6.717 -3.061 -13.141 1.00 0.00 C ATOM 2300 CD GLU A 146 7.624 -3.897 -14.025 1.00 0.00 C ATOM 2301 OE1 GLU A 146 8.464 -3.324 -14.749 1.00 0.00 O ATOM 2302 OE2 GLU A 146 7.505 -5.143 -13.998 1.00 0.00 O ATOM 0 H GLU A 146 5.149 -3.628 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 146 7.025 -1.905 -9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 146 8.156 -1.891 -12.080 1.00 0.00 H new ATOM 0 HB3 GLU A 146 7.911 -3.497 -11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 146 5.818 -3.631 -12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 146 6.398 -2.174 -13.689 1.00 0.00 H new