USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 98 LYS NZ :NH3+ -125:sc= -1.07 (180deg=-2.09) USER MOD Set 1.2: A 102 CYS SG : rot 120:sc= 0.374 USER MOD Set 1.3: A 105 CYS SG : rot 92:sc= 0.0394 USER MOD Set 1.4: A 123 CYS SG : rot -168:sc= -1.11 USER MOD Set 1.5: A 126 CYS SG : rot 129:sc= -0.497 USER MOD Set 1.6: A 129 LYS NZ :NH3+ 163:sc= 0.136 (180deg=0.0652) USER MOD Set 2.1: A 52 ASN : amide:sc= -6.7! C(o=-12!,f=-13!) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -5.47! C(o=-12!,f=-22!) USER MOD Set 3.1: A 37 ASN : amide:sc= -1.06 K(o=-2.5,f=-7.6!) USER MOD Set 3.2: A 80 GLN : amide:sc= -1.41 K(o=-2.5,f=-4.9!) USER MOD Set 4.1: A 32 SER OG : rot -143:sc= -0.85 USER MOD Set 4.2: A 39 THR OG1 : rot 155:sc= 1.13 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.894 K(o=0.89,f=-0.01) USER MOD Single : A 42 GLN : amide:sc= -2.22! C(o=-2.2!,f=-4.1!) USER MOD Single : A 43 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 56 GLN : amide:sc= -0.0455 X(o=-0.045,f=-0.021) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 0.113 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -51:sc= -1.65! USER MOD Single : A 71 ASN : amide:sc= -0.0128 X(o=-0.013,f=0.024) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 85 HIS : no HE2:sc= -4.28 K(o=-4.3,f=-7.7!) USER MOD Single : A 89 ASN : amide:sc= -2.5 X(o=-2.5,f=-2.2!) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.21 USER MOD Single : A 97 ASN : amide:sc= -3.86! K(o=-3.9!,f=-0.15) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 106 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.2!) USER MOD Single : A 110 THR OG1 : rot 130:sc= 0 USER MOD Single : A 119 SER OG : rot 124:sc= 1.26 USER MOD Single : A 122 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00111) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -7.905 -2.675 0.633 1.00 0.00 N ATOM 506 CA TYR A 31 -8.308 -1.623 1.558 1.00 0.00 C ATOM 507 C TYR A 31 -8.615 -2.209 2.930 1.00 0.00 C ATOM 508 O TYR A 31 -9.207 -3.282 3.039 1.00 0.00 O ATOM 509 CB TYR A 31 -9.529 -0.866 1.023 1.00 0.00 C ATOM 510 CG TYR A 31 -10.832 -1.629 1.142 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.893 -2.989 0.860 1.00 0.00 C ATOM 512 CD2 TYR A 31 -12.000 -0.989 1.538 1.00 0.00 C ATOM 513 CE1 TYR A 31 -12.080 -3.687 0.967 1.00 0.00 C ATOM 514 CE2 TYR A 31 -13.191 -1.680 1.649 1.00 0.00 C ATOM 515 CZ TYR A 31 -13.226 -3.029 1.362 1.00 0.00 C ATOM 516 OH TYR A 31 -14.409 -3.721 1.469 1.00 0.00 O ATOM 0 HA TYR A 31 -7.480 -0.920 1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.623 0.077 1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.359 -0.619 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.997 -3.508 0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.976 0.067 1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.111 -4.743 0.742 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -14.090 -1.167 1.959 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.119 -3.112 1.759 1.00 0.00 H new ATOM 526 N SER A 32 -8.208 -1.504 3.974 1.00 0.00 N ATOM 527 CA SER A 32 -8.439 -1.961 5.335 1.00 0.00 C ATOM 528 C SER A 32 -9.923 -1.913 5.686 1.00 0.00 C ATOM 529 O SER A 32 -10.731 -1.369 4.931 1.00 0.00 O ATOM 530 CB SER A 32 -7.637 -1.100 6.302 1.00 0.00 C ATOM 531 OG SER A 32 -8.064 -1.290 7.634 1.00 0.00 O ATOM 0 H SER A 32 -7.716 -0.613 3.905 1.00 0.00 H new ATOM 0 HA SER A 32 -8.112 -2.998 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.578 -1.346 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.743 -0.050 6.030 1.00 0.00 H new ATOM 0 HG SER A 32 -8.021 -0.438 8.116 1.00 0.00 H new ATOM 537 N VAL A 33 -10.280 -2.487 6.832 1.00 0.00 N ATOM 538 CA VAL A 33 -11.671 -2.507 7.275 1.00 0.00 C ATOM 539 C VAL A 33 -11.809 -1.942 8.683 1.00 0.00 C ATOM 540 O VAL A 33 -10.894 -2.041 9.501 1.00 0.00 O ATOM 541 CB VAL A 33 -12.285 -3.926 7.233 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.178 -4.078 6.015 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.206 -5.002 7.245 1.00 0.00 C ATOM 0 H VAL A 33 -9.627 -2.943 7.469 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.220 -1.878 6.574 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.889 -4.056 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.603 -5.082 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.982 -3.344 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.591 -3.918 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.673 -5.986 7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.561 -4.880 6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.611 -4.911 8.154 1.00 0.00 H new ATOM 553 N ILE A 34 -12.951 -1.319 8.941 1.00 0.00 N ATOM 554 CA ILE A 34 -13.217 -0.697 10.232 1.00 0.00 C ATOM 555 C ILE A 34 -14.283 -1.449 11.009 1.00 0.00 C ATOM 556 O ILE A 34 -15.006 -2.272 10.453 1.00 0.00 O ATOM 557 CB ILE A 34 -13.678 0.760 10.047 1.00 0.00 C ATOM 558 CG1 ILE A 34 -13.270 1.264 8.662 1.00 0.00 C ATOM 559 CG2 ILE A 34 -13.100 1.647 11.137 1.00 0.00 C ATOM 560 CD1 ILE A 34 -11.778 1.205 8.419 1.00 0.00 C ATOM 0 H ILE A 34 -13.713 -1.231 8.269 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.284 -0.725 10.795 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.765 0.798 10.125 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.778 0.670 7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.610 2.293 8.543 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.438 2.673 10.989 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.436 1.292 12.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.011 1.614 11.094 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.557 1.577 7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.265 1.822 9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.436 0.174 8.507 1.00 0.00 H new ATOM 572 N GLN A 35 -14.373 -1.151 12.301 1.00 0.00 N ATOM 573 CA GLN A 35 -15.352 -1.790 13.168 1.00 0.00 C ATOM 574 C GLN A 35 -15.266 -1.236 14.588 1.00 0.00 C ATOM 575 O GLN A 35 -14.245 -1.383 15.260 1.00 0.00 O ATOM 576 CB GLN A 35 -15.128 -3.301 13.177 1.00 0.00 C ATOM 577 CG GLN A 35 -16.081 -4.061 12.272 1.00 0.00 C ATOM 578 CD GLN A 35 -15.423 -5.258 11.614 1.00 0.00 C ATOM 579 OE1 GLN A 35 -15.691 -6.403 11.976 1.00 0.00 O ATOM 580 NE2 GLN A 35 -14.553 -4.999 10.643 1.00 0.00 N ATOM 0 H GLN A 35 -13.777 -0.469 12.770 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.348 -1.577 12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.103 -3.510 12.869 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.236 -3.670 14.197 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.940 -4.396 12.853 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.460 -3.389 11.502 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.361 -4.034 10.375 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.078 -5.765 10.166 1.00 0.00 H new ATOM 589 N GLY A 36 -16.344 -0.599 15.038 1.00 0.00 N ATOM 590 CA GLY A 36 -16.370 -0.034 16.375 1.00 0.00 C ATOM 591 C GLY A 36 -15.437 1.151 16.523 1.00 0.00 C ATOM 592 O GLY A 36 -15.884 2.290 16.661 1.00 0.00 O ATOM 0 H GLY A 36 -17.200 -0.464 14.500 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.387 0.276 16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.093 -0.803 17.096 1.00 0.00 H new ATOM 596 N ASN A 37 -14.137 0.880 16.500 1.00 0.00 N ATOM 597 CA ASN A 37 -13.132 1.927 16.635 1.00 0.00 C ATOM 598 C ASN A 37 -11.734 1.376 16.365 1.00 0.00 C ATOM 599 O ASN A 37 -10.747 1.878 16.901 1.00 0.00 O ATOM 600 CB ASN A 37 -13.190 2.535 18.041 1.00 0.00 C ATOM 601 CG ASN A 37 -12.661 1.593 19.109 1.00 0.00 C ATOM 602 OD1 ASN A 37 -11.462 1.555 19.382 1.00 0.00 O ATOM 603 ND2 ASN A 37 -13.557 0.825 19.719 1.00 0.00 N ATOM 0 H ASN A 37 -13.754 -0.059 16.389 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.346 2.702 15.899 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -12.611 3.458 18.057 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -14.221 2.801 18.275 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.260 0.172 20.444 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.542 0.888 19.462 1.00 0.00 H new ATOM 610 N ARG A 38 -11.655 0.331 15.546 1.00 0.00 N ATOM 611 CA ARG A 38 -10.376 -0.291 15.229 1.00 0.00 C ATOM 612 C ARG A 38 -10.300 -0.678 13.753 1.00 0.00 C ATOM 613 O ARG A 38 -11.324 -0.825 13.086 1.00 0.00 O ATOM 614 CB ARG A 38 -10.161 -1.528 16.106 1.00 0.00 C ATOM 615 CG ARG A 38 -10.646 -1.362 17.539 1.00 0.00 C ATOM 616 CD ARG A 38 -11.959 -2.089 17.775 1.00 0.00 C ATOM 617 NE ARG A 38 -11.902 -2.953 18.951 1.00 0.00 N ATOM 618 CZ ARG A 38 -11.016 -3.937 19.115 1.00 0.00 C ATOM 619 NH1 ARG A 38 -10.120 -4.207 18.172 1.00 0.00 N ATOM 620 NH2 ARG A 38 -11.034 -4.662 20.222 1.00 0.00 N ATOM 0 H ARG A 38 -12.460 -0.101 15.092 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.589 0.435 15.430 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.677 -2.375 15.654 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.099 -1.772 16.119 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.890 -1.743 18.226 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.772 -0.302 17.760 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.760 -1.360 17.899 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.205 -2.687 16.897 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.583 -2.794 19.694 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.105 -3.660 17.311 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.448 -4.962 18.309 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.724 -4.468 20.948 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.358 -5.415 20.350 1.00 0.00 H new ATOM 634 N THR A 39 -9.079 -0.829 13.251 1.00 0.00 N ATOM 635 CA THR A 39 -8.860 -1.184 11.854 1.00 0.00 C ATOM 636 C THR A 39 -8.400 -2.639 11.719 1.00 0.00 C ATOM 637 O THR A 39 -7.404 -3.046 12.315 1.00 0.00 O ATOM 638 CB THR A 39 -7.853 -0.200 11.231 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.458 0.507 10.171 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.587 -0.824 10.678 1.00 0.00 C ATOM 0 H THR A 39 -8.223 -0.711 13.793 1.00 0.00 H new ATOM 0 HA THR A 39 -9.801 -1.105 11.309 1.00 0.00 H new ATOM 0 HB THR A 39 -7.563 0.442 12.063 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.001 1.365 10.047 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.948 -0.044 10.263 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.057 -1.341 11.478 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.845 -1.536 9.894 1.00 0.00 H new ATOM 648 N PHE A 40 -9.144 -3.417 10.935 1.00 0.00 N ATOM 649 CA PHE A 40 -8.827 -4.825 10.725 1.00 0.00 C ATOM 650 C PHE A 40 -7.959 -5.015 9.473 1.00 0.00 C ATOM 651 O PHE A 40 -8.457 -5.436 8.429 1.00 0.00 O ATOM 652 CB PHE A 40 -10.128 -5.636 10.596 1.00 0.00 C ATOM 653 CG PHE A 40 -10.879 -5.812 11.893 1.00 0.00 C ATOM 654 CD1 PHE A 40 -11.075 -4.739 12.751 1.00 0.00 C ATOM 655 CD2 PHE A 40 -11.393 -7.050 12.251 1.00 0.00 C ATOM 656 CE1 PHE A 40 -11.764 -4.898 13.940 1.00 0.00 C ATOM 657 CE2 PHE A 40 -12.082 -7.215 13.439 1.00 0.00 C ATOM 658 CZ PHE A 40 -12.266 -6.138 14.284 1.00 0.00 C ATOM 0 H PHE A 40 -9.972 -3.094 10.435 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.261 -5.183 11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.780 -5.143 9.876 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.891 -6.619 10.190 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.685 -3.767 12.487 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.253 -7.896 11.594 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.909 -4.054 14.598 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.476 -8.185 13.706 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.802 -6.265 15.213 1.00 0.00 H new ATOM 668 N ILE A 41 -6.658 -4.707 9.579 1.00 0.00 N ATOM 669 CA ILE A 41 -5.747 -4.859 8.439 1.00 0.00 C ATOM 670 C ILE A 41 -5.673 -6.326 8.012 1.00 0.00 C ATOM 671 O ILE A 41 -5.424 -7.209 8.834 1.00 0.00 O ATOM 672 CB ILE A 41 -4.308 -4.331 8.748 1.00 0.00 C ATOM 673 CG1 ILE A 41 -4.001 -3.069 7.938 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.240 -5.379 8.442 1.00 0.00 C ATOM 675 CD1 ILE A 41 -4.909 -1.907 8.247 1.00 0.00 C ATOM 0 H ILE A 41 -6.219 -4.356 10.430 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.153 -4.255 7.628 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.285 -4.102 9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.970 -2.771 8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.077 -3.304 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.255 -4.972 8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.416 -6.266 9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.286 -5.648 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.627 -1.052 7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.941 -2.184 8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.817 -1.643 9.301 1.00 0.00 H new ATOM 687 N GLN A 42 -5.879 -6.577 6.726 1.00 0.00 N ATOM 688 CA GLN A 42 -5.822 -7.934 6.194 1.00 0.00 C ATOM 689 C GLN A 42 -4.765 -8.028 5.102 1.00 0.00 C ATOM 690 O GLN A 42 -4.002 -8.993 5.037 1.00 0.00 O ATOM 691 CB GLN A 42 -7.186 -8.349 5.640 1.00 0.00 C ATOM 692 CG GLN A 42 -7.696 -7.436 4.537 1.00 0.00 C ATOM 693 CD GLN A 42 -9.194 -7.225 4.603 1.00 0.00 C ATOM 694 OE1 GLN A 42 -9.666 -6.190 5.072 1.00 0.00 O ATOM 695 NE2 GLN A 42 -9.951 -8.209 4.133 1.00 0.00 N ATOM 0 H GLN A 42 -6.087 -5.860 6.031 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.554 -8.611 7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.119 -9.367 5.256 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.911 -8.362 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.193 -6.471 4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.435 -7.862 3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.516 -9.050 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.967 -8.124 4.152 1.00 0.00 H new ATOM 704 N ASN A 43 -4.722 -7.011 4.253 1.00 0.00 N ATOM 705 CA ASN A 43 -3.759 -6.959 3.167 1.00 0.00 C ATOM 706 C ASN A 43 -2.588 -6.059 3.546 1.00 0.00 C ATOM 707 O ASN A 43 -2.150 -5.230 2.755 1.00 0.00 O ATOM 708 CB ASN A 43 -4.428 -6.446 1.891 1.00 0.00 C ATOM 709 CG ASN A 43 -5.128 -7.546 1.118 1.00 0.00 C ATOM 710 OD1 ASN A 43 -5.089 -8.715 1.503 1.00 0.00 O ATOM 711 ND2 ASN A 43 -5.776 -7.174 0.019 1.00 0.00 N ATOM 0 H ASN A 43 -5.348 -6.207 4.298 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.383 -7.966 2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.151 -5.672 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.677 -5.980 1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.268 -7.869 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.782 -6.194 -0.262 1.00 0.00 H new ATOM 718 N PHE A 44 -2.086 -6.227 4.767 1.00 0.00 N ATOM 719 CA PHE A 44 -0.968 -5.423 5.255 1.00 0.00 C ATOM 720 C PHE A 44 0.145 -5.335 4.220 1.00 0.00 C ATOM 721 O PHE A 44 0.915 -4.383 4.209 1.00 0.00 O ATOM 722 CB PHE A 44 -0.408 -6.016 6.548 1.00 0.00 C ATOM 723 CG PHE A 44 -0.328 -7.516 6.530 1.00 0.00 C ATOM 724 CD1 PHE A 44 0.580 -8.165 5.709 1.00 0.00 C ATOM 725 CD2 PHE A 44 -1.165 -8.275 7.329 1.00 0.00 C ATOM 726 CE1 PHE A 44 0.650 -9.545 5.687 1.00 0.00 C ATOM 727 CE2 PHE A 44 -1.100 -9.655 7.311 1.00 0.00 C ATOM 728 CZ PHE A 44 -0.191 -10.291 6.488 1.00 0.00 C ATOM 0 H PHE A 44 -2.435 -6.912 5.437 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.347 -4.419 5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.587 -5.608 6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.034 -5.703 7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.240 -7.586 5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.878 -7.783 7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.362 -10.040 5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.759 -10.236 7.940 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.138 -11.370 6.471 1.00 0.00 H new ATOM 738 N ARG A 45 0.232 -6.329 3.351 1.00 0.00 N ATOM 739 CA ARG A 45 1.263 -6.333 2.329 1.00 0.00 C ATOM 740 C ARG A 45 0.861 -5.474 1.139 1.00 0.00 C ATOM 741 O ARG A 45 1.597 -4.574 0.731 1.00 0.00 O ATOM 742 CB ARG A 45 1.552 -7.761 1.876 1.00 0.00 C ATOM 743 CG ARG A 45 3.021 -8.118 1.972 1.00 0.00 C ATOM 744 CD ARG A 45 3.872 -7.154 1.167 1.00 0.00 C ATOM 745 NE ARG A 45 5.234 -7.075 1.679 1.00 0.00 N ATOM 746 CZ ARG A 45 5.980 -5.977 1.644 1.00 0.00 C ATOM 747 NH1 ARG A 45 5.489 -4.838 1.168 1.00 0.00 N ATOM 748 NH2 ARG A 45 7.226 -6.018 2.088 1.00 0.00 N ATOM 0 H ARG A 45 -0.392 -7.135 3.333 1.00 0.00 H new ATOM 0 HA ARG A 45 2.169 -5.908 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.973 -8.455 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.218 -7.886 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.335 -8.101 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.176 -9.134 1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.894 -7.472 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.418 -6.163 1.189 1.00 0.00 H new ATOM 0 HE ARG A 45 5.640 -7.916 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.529 -4.800 0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.072 -4.001 1.146 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.608 -6.890 2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.804 -5.178 2.064 1.00 0.00 H new ATOM 762 N GLU A 46 -0.312 -5.753 0.591 1.00 0.00 N ATOM 763 CA GLU A 46 -0.815 -5.006 -0.548 1.00 0.00 C ATOM 764 C GLU A 46 -1.227 -3.601 -0.130 1.00 0.00 C ATOM 765 O GLU A 46 -0.946 -2.624 -0.825 1.00 0.00 O ATOM 766 CB GLU A 46 -1.996 -5.738 -1.176 1.00 0.00 C ATOM 767 CG GLU A 46 -1.971 -5.721 -2.692 1.00 0.00 C ATOM 768 CD GLU A 46 -1.821 -4.321 -3.256 1.00 0.00 C ATOM 769 OE1 GLU A 46 -0.769 -3.693 -3.016 1.00 0.00 O ATOM 770 OE2 GLU A 46 -2.756 -3.855 -3.942 1.00 0.00 O ATOM 0 H GLU A 46 -0.933 -6.493 0.918 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.018 -4.924 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.000 -6.772 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.924 -5.283 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.147 -6.341 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.891 -6.165 -3.072 1.00 0.00 H new ATOM 777 N VAL A 47 -1.888 -3.507 1.017 1.00 0.00 N ATOM 778 CA VAL A 47 -2.329 -2.223 1.533 1.00 0.00 C ATOM 779 C VAL A 47 -1.135 -1.361 1.902 1.00 0.00 C ATOM 780 O VAL A 47 -1.132 -0.159 1.648 1.00 0.00 O ATOM 781 CB VAL A 47 -3.240 -2.372 2.770 1.00 0.00 C ATOM 782 CG1 VAL A 47 -3.942 -1.055 3.065 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.256 -3.485 2.567 1.00 0.00 C ATOM 0 H VAL A 47 -2.129 -4.305 1.605 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.905 -1.747 0.739 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.618 -2.638 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.582 -1.172 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.199 -0.282 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.549 -0.766 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.885 -3.569 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.877 -3.257 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.735 -4.428 2.401 1.00 0.00 H new ATOM 793 N ALA A 48 -0.117 -1.970 2.510 1.00 0.00 N ATOM 794 CA ALA A 48 1.063 -1.218 2.904 1.00 0.00 C ATOM 795 C ALA A 48 1.841 -0.712 1.696 1.00 0.00 C ATOM 796 O ALA A 48 2.481 0.334 1.755 1.00 0.00 O ATOM 797 CB ALA A 48 1.973 -2.032 3.808 1.00 0.00 C ATOM 0 H ALA A 48 -0.089 -2.964 2.735 1.00 0.00 H new ATOM 0 HA ALA A 48 0.706 -0.355 3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.843 -1.435 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.431 -2.316 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.299 -2.930 3.283 1.00 0.00 H new ATOM 803 N ASP A 49 1.788 -1.443 0.593 1.00 0.00 N ATOM 804 CA ASP A 49 2.507 -1.010 -0.597 1.00 0.00 C ATOM 805 C ASP A 49 1.858 0.241 -1.180 1.00 0.00 C ATOM 806 O ASP A 49 2.457 1.315 -1.188 1.00 0.00 O ATOM 807 CB ASP A 49 2.546 -2.120 -1.647 1.00 0.00 C ATOM 808 CG ASP A 49 3.790 -2.046 -2.509 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.802 -1.481 -2.042 1.00 0.00 O ATOM 810 OD2 ASP A 49 3.755 -2.553 -3.650 1.00 0.00 O ATOM 0 H ASP A 49 1.270 -2.316 0.496 1.00 0.00 H new ATOM 0 HA ASP A 49 3.532 -0.777 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.507 -3.090 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.662 -2.050 -2.281 1.00 0.00 H new ATOM 815 N ALA A 50 0.643 0.089 -1.685 1.00 0.00 N ATOM 816 CA ALA A 50 -0.077 1.200 -2.294 1.00 0.00 C ATOM 817 C ALA A 50 -0.180 2.418 -1.371 1.00 0.00 C ATOM 818 O ALA A 50 -0.047 3.552 -1.822 1.00 0.00 O ATOM 819 CB ALA A 50 -1.454 0.746 -2.734 1.00 0.00 C ATOM 0 H ALA A 50 0.133 -0.794 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 50 0.497 1.518 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.985 1.583 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.356 -0.060 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.013 0.388 -1.869 1.00 0.00 H new ATOM 825 N LEU A 51 -0.427 2.188 -0.085 1.00 0.00 N ATOM 826 CA LEU A 51 -0.549 3.282 0.860 1.00 0.00 C ATOM 827 C LEU A 51 0.825 3.899 1.115 1.00 0.00 C ATOM 828 O LEU A 51 0.943 5.088 1.410 1.00 0.00 O ATOM 829 CB LEU A 51 -1.199 2.796 2.164 1.00 0.00 C ATOM 830 CG LEU A 51 -0.840 3.602 3.412 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.111 5.076 3.183 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.603 3.099 4.631 1.00 0.00 C ATOM 0 H LEU A 51 -0.545 1.259 0.320 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.196 4.052 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.282 2.813 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.913 1.757 2.328 1.00 0.00 H new ATOM 0 HG LEU A 51 0.224 3.468 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.851 5.637 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.510 5.431 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.168 5.221 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.327 3.692 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.674 3.192 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.354 2.053 4.810 1.00 0.00 H new ATOM 844 N ASN A 52 1.864 3.085 0.982 1.00 0.00 N ATOM 845 CA ASN A 52 3.227 3.556 1.185 1.00 0.00 C ATOM 846 C ASN A 52 4.236 2.443 0.911 1.00 0.00 C ATOM 847 O ASN A 52 4.485 1.600 1.773 1.00 0.00 O ATOM 848 CB ASN A 52 3.394 4.072 2.613 1.00 0.00 C ATOM 849 CG ASN A 52 3.342 5.582 2.704 1.00 0.00 C ATOM 850 OD1 ASN A 52 3.771 6.290 1.794 1.00 0.00 O ATOM 851 ND2 ASN A 52 2.808 6.082 3.814 1.00 0.00 N ATOM 0 H ASN A 52 1.789 2.098 0.735 1.00 0.00 H new ATOM 0 HA ASN A 52 3.416 4.369 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.610 3.648 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.346 3.722 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.741 7.092 3.938 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.465 5.455 4.542 1.00 0.00 H new ATOM 858 N ARG A 53 4.815 2.453 -0.293 1.00 0.00 N ATOM 859 CA ARG A 53 5.808 1.449 -0.699 1.00 0.00 C ATOM 860 C ARG A 53 6.577 0.902 0.504 1.00 0.00 C ATOM 861 O ARG A 53 6.366 -0.235 0.927 1.00 0.00 O ATOM 862 CB ARG A 53 6.785 2.059 -1.708 1.00 0.00 C ATOM 863 CG ARG A 53 7.520 1.027 -2.549 1.00 0.00 C ATOM 864 CD ARG A 53 9.022 1.035 -2.288 1.00 0.00 C ATOM 865 NE ARG A 53 9.576 2.387 -2.172 1.00 0.00 N ATOM 866 CZ ARG A 53 9.507 3.318 -3.126 1.00 0.00 C ATOM 867 NH1 ARG A 53 8.917 3.061 -4.285 1.00 0.00 N ATOM 868 NH2 ARG A 53 10.053 4.509 -2.925 1.00 0.00 N ATOM 0 H ARG A 53 4.612 3.150 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 53 5.275 0.619 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.238 2.731 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.516 2.665 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.121 0.036 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.335 1.223 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.229 0.484 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.529 0.509 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 53 10.047 2.634 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.508 2.142 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.872 3.782 -5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.524 4.712 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.002 5.223 -3.652 1.00 0.00 H new ATOM 882 N ASP A 54 7.456 1.730 1.054 1.00 0.00 N ATOM 883 CA ASP A 54 8.249 1.353 2.214 1.00 0.00 C ATOM 884 C ASP A 54 7.392 1.388 3.479 1.00 0.00 C ATOM 885 O ASP A 54 6.527 2.251 3.625 1.00 0.00 O ATOM 886 CB ASP A 54 9.438 2.306 2.364 1.00 0.00 C ATOM 887 CG ASP A 54 10.769 1.602 2.192 1.00 0.00 C ATOM 888 OD1 ASP A 54 11.144 1.318 1.036 1.00 0.00 O ATOM 889 OD2 ASP A 54 11.436 1.336 3.214 1.00 0.00 O ATOM 0 H ASP A 54 7.637 2.673 0.711 1.00 0.00 H new ATOM 0 HA ASP A 54 8.619 0.338 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.355 3.105 1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.403 2.775 3.347 1.00 0.00 H new ATOM 894 N PRO A 55 7.619 0.448 4.411 1.00 0.00 N ATOM 895 CA PRO A 55 6.860 0.383 5.664 1.00 0.00 C ATOM 896 C PRO A 55 7.248 1.484 6.652 1.00 0.00 C ATOM 897 O PRO A 55 6.642 1.614 7.711 1.00 0.00 O ATOM 898 CB PRO A 55 7.233 -0.990 6.226 1.00 0.00 C ATOM 899 CG PRO A 55 8.591 -1.263 5.681 1.00 0.00 C ATOM 900 CD PRO A 55 8.630 -0.623 4.319 1.00 0.00 C ATOM 0 HA PRO A 55 5.792 0.523 5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.237 -0.984 7.316 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.520 -1.753 5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.362 -0.847 6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.776 -2.335 5.613 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.618 -0.223 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.387 -1.338 3.533 1.00 0.00 H new ATOM 908 N GLN A 56 8.264 2.271 6.305 1.00 0.00 N ATOM 909 CA GLN A 56 8.728 3.351 7.173 1.00 0.00 C ATOM 910 C GLN A 56 7.658 4.422 7.353 1.00 0.00 C ATOM 911 O GLN A 56 7.414 4.892 8.466 1.00 0.00 O ATOM 912 CB GLN A 56 9.994 3.983 6.594 1.00 0.00 C ATOM 913 CG GLN A 56 11.269 3.543 7.292 1.00 0.00 C ATOM 914 CD GLN A 56 11.383 2.035 7.400 1.00 0.00 C ATOM 915 OE1 GLN A 56 11.319 1.324 6.397 1.00 0.00 O ATOM 916 NE2 GLN A 56 11.550 1.540 8.619 1.00 0.00 N ATOM 0 H GLN A 56 8.781 2.181 5.430 1.00 0.00 H new ATOM 0 HA GLN A 56 8.947 2.920 8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.064 3.731 5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.910 5.068 6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.130 3.931 6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.301 3.979 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.597 2.167 9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.631 0.532 8.753 1.00 0.00 H new ATOM 925 N HIS A 57 7.027 4.807 6.252 1.00 0.00 N ATOM 926 CA HIS A 57 5.990 5.827 6.290 1.00 0.00 C ATOM 927 C HIS A 57 4.683 5.259 6.843 1.00 0.00 C ATOM 928 O HIS A 57 4.170 5.748 7.848 1.00 0.00 O ATOM 929 CB HIS A 57 5.770 6.450 4.904 1.00 0.00 C ATOM 930 CG HIS A 57 6.631 5.888 3.813 1.00 0.00 C ATOM 931 ND1 HIS A 57 6.129 5.151 2.765 1.00 0.00 N ATOM 932 CD2 HIS A 57 7.968 5.968 3.603 1.00 0.00 C ATOM 933 CE1 HIS A 57 7.111 4.802 1.959 1.00 0.00 C ATOM 934 NE2 HIS A 57 8.240 5.284 2.443 1.00 0.00 N ATOM 0 H HIS A 57 7.215 4.429 5.324 1.00 0.00 H new ATOM 0 HA HIS A 57 6.328 6.616 6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.724 6.319 4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.950 7.523 4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.686 6.475 4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.009 4.220 1.055 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.163 5.168 2.025 1.00 0.00 H new ATOM 942 N LEU A 58 4.152 4.223 6.192 1.00 0.00 N ATOM 943 CA LEU A 58 2.907 3.586 6.633 1.00 0.00 C ATOM 944 C LEU A 58 2.888 3.404 8.144 1.00 0.00 C ATOM 945 O LEU A 58 1.888 3.678 8.808 1.00 0.00 O ATOM 946 CB LEU A 58 2.747 2.218 5.968 1.00 0.00 C ATOM 947 CG LEU A 58 1.389 1.975 5.313 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.565 1.530 3.876 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.592 0.937 6.091 1.00 0.00 C ATOM 0 H LEU A 58 4.564 3.806 5.357 1.00 0.00 H new ATOM 0 HA LEU A 58 2.083 4.238 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.524 2.105 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.916 1.444 6.717 1.00 0.00 H new ATOM 0 HG LEU A 58 0.835 2.914 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.587 1.361 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.094 2.303 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.141 0.605 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.372 0.780 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.144 -0.003 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.432 1.290 7.110 1.00 0.00 H new ATOM 961 N LEU A 59 4.006 2.931 8.673 1.00 0.00 N ATOM 962 CA LEU A 59 4.142 2.697 10.100 1.00 0.00 C ATOM 963 C LEU A 59 4.032 4.002 10.872 1.00 0.00 C ATOM 964 O LEU A 59 3.219 4.126 11.789 1.00 0.00 O ATOM 965 CB LEU A 59 5.483 2.029 10.389 1.00 0.00 C ATOM 966 CG LEU A 59 5.514 1.137 11.629 1.00 0.00 C ATOM 967 CD1 LEU A 59 5.627 -0.329 11.231 1.00 0.00 C ATOM 968 CD2 LEU A 59 6.663 1.538 12.542 1.00 0.00 C ATOM 0 H LEU A 59 4.838 2.701 8.129 1.00 0.00 H new ATOM 0 HA LEU A 59 3.335 2.039 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.766 1.430 9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.240 2.805 10.501 1.00 0.00 H new ATOM 0 HG LEU A 59 4.580 1.270 12.175 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.648 -0.949 12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.770 -0.607 10.618 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.545 -0.482 10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.671 0.893 13.421 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.607 1.434 12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.535 2.575 12.854 1.00 0.00 H new ATOM 980 N LYS A 60 4.850 4.979 10.495 1.00 0.00 N ATOM 981 CA LYS A 60 4.832 6.275 11.154 1.00 0.00 C ATOM 982 C LYS A 60 3.426 6.868 11.136 1.00 0.00 C ATOM 983 O LYS A 60 2.963 7.409 12.135 1.00 0.00 O ATOM 984 CB LYS A 60 5.829 7.230 10.487 1.00 0.00 C ATOM 985 CG LYS A 60 6.926 7.709 11.426 1.00 0.00 C ATOM 986 CD LYS A 60 7.959 8.555 10.698 1.00 0.00 C ATOM 987 CE LYS A 60 9.114 7.710 10.180 1.00 0.00 C ATOM 988 NZ LYS A 60 9.106 7.605 8.695 1.00 0.00 N ATOM 0 H LYS A 60 5.530 4.896 9.739 1.00 0.00 H new ATOM 0 HA LYS A 60 5.131 6.136 12.193 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.285 6.729 9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.290 8.094 10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.484 8.290 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.416 6.849 11.882 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.484 9.072 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.342 9.321 11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.058 8.146 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.056 6.712 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.077 7.464 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.516 6.798 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.719 8.480 8.287 1.00 0.00 H new ATOM 1002 N PHE A 61 2.750 6.750 9.994 1.00 0.00 N ATOM 1003 CA PHE A 61 1.394 7.267 9.844 1.00 0.00 C ATOM 1004 C PHE A 61 0.402 6.461 10.679 1.00 0.00 C ATOM 1005 O PHE A 61 -0.554 7.012 11.223 1.00 0.00 O ATOM 1006 CB PHE A 61 0.984 7.252 8.371 1.00 0.00 C ATOM 1007 CG PHE A 61 1.212 8.562 7.673 1.00 0.00 C ATOM 1008 CD1 PHE A 61 0.297 9.596 7.796 1.00 0.00 C ATOM 1009 CD2 PHE A 61 2.340 8.760 6.894 1.00 0.00 C ATOM 1010 CE1 PHE A 61 0.504 10.803 7.155 1.00 0.00 C ATOM 1011 CE2 PHE A 61 2.552 9.964 6.251 1.00 0.00 C ATOM 1012 CZ PHE A 61 1.633 10.987 6.381 1.00 0.00 C ATOM 0 H PHE A 61 3.122 6.299 9.158 1.00 0.00 H new ATOM 0 HA PHE A 61 1.381 8.295 10.205 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.543 6.472 7.854 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.071 6.989 8.298 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.588 9.457 8.400 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.062 7.964 6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.216 11.601 7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.436 10.105 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.797 11.929 5.878 1.00 0.00 H new ATOM 1022 N LEU A 62 0.632 5.155 10.780 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.244 4.285 11.554 1.00 0.00 C ATOM 1024 C LEU A 62 -0.324 4.769 12.999 1.00 0.00 C ATOM 1025 O LEU A 62 -1.382 5.180 13.466 1.00 0.00 O ATOM 1026 CB LEU A 62 0.273 2.840 11.512 1.00 0.00 C ATOM 1027 CG LEU A 62 -0.718 1.800 10.969 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -0.224 1.213 9.651 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -0.945 0.693 11.990 1.00 0.00 C ATOM 0 H LEU A 62 1.416 4.678 10.336 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.242 4.315 11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.174 2.812 10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.564 2.547 12.521 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.667 2.303 10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.943 0.479 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.115 2.010 8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.740 0.729 9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.650 -0.034 11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.002 0.199 12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.350 1.121 12.907 1.00 0.00 H new ATOM 1041 N LEU A 63 0.799 4.728 13.700 1.00 0.00 N ATOM 1042 CA LEU A 63 0.840 5.168 15.089 1.00 0.00 C ATOM 1043 C LEU A 63 0.588 6.671 15.208 1.00 0.00 C ATOM 1044 O LEU A 63 0.117 7.146 16.242 1.00 0.00 O ATOM 1045 CB LEU A 63 2.185 4.805 15.720 1.00 0.00 C ATOM 1046 CG LEU A 63 2.091 3.881 16.935 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.329 3.005 17.044 1.00 0.00 C ATOM 1048 CD2 LEU A 63 1.894 4.696 18.206 1.00 0.00 C ATOM 0 H LEU A 63 1.691 4.396 13.333 1.00 0.00 H new ATOM 0 HA LEU A 63 0.043 4.653 15.626 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.809 4.327 14.964 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.691 5.723 16.017 1.00 0.00 H new ATOM 0 HG LEU A 63 1.227 3.229 16.805 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.240 2.356 17.915 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.423 2.395 16.146 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.212 3.635 17.149 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.829 4.025 19.062 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.738 5.373 18.339 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.974 5.275 18.128 1.00 0.00 H new ATOM 1060 N ARG A 64 0.903 7.417 14.153 1.00 0.00 N ATOM 1061 CA ARG A 64 0.708 8.866 14.155 1.00 0.00 C ATOM 1062 C ARG A 64 -0.751 9.229 14.417 1.00 0.00 C ATOM 1063 O ARG A 64 -1.053 10.014 15.316 1.00 0.00 O ATOM 1064 CB ARG A 64 1.155 9.470 12.824 1.00 0.00 C ATOM 1065 CG ARG A 64 1.282 10.983 12.854 1.00 0.00 C ATOM 1066 CD ARG A 64 2.623 11.407 13.425 1.00 0.00 C ATOM 1067 NE ARG A 64 2.825 12.849 13.345 1.00 0.00 N ATOM 1068 CZ ARG A 64 4.007 13.438 13.497 1.00 0.00 C ATOM 1069 NH1 ARG A 64 5.100 12.711 13.695 1.00 0.00 N ATOM 1070 NH2 ARG A 64 4.102 14.758 13.443 1.00 0.00 N ATOM 0 H ARG A 64 1.293 7.045 13.287 1.00 0.00 H new ATOM 0 HA ARG A 64 1.317 9.277 14.960 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.116 9.039 12.544 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.441 9.189 12.049 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.171 11.381 11.845 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.477 11.407 13.454 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.689 11.090 14.466 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.423 10.899 12.885 1.00 0.00 H new ATOM 0 HE ARG A 64 2.013 13.439 13.162 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.036 11.694 13.731 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.004 13.170 13.811 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.268 15.323 13.285 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.009 15.209 13.560 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.649 8.662 13.619 1.00 0.00 N ATOM 1085 CA GLU A 65 -3.075 8.936 13.759 1.00 0.00 C ATOM 1086 C GLU A 65 -3.705 8.039 14.822 1.00 0.00 C ATOM 1087 O GLU A 65 -4.655 8.434 15.498 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.785 8.745 12.417 1.00 0.00 C ATOM 1089 CG GLU A 65 -4.359 10.031 11.846 1.00 0.00 C ATOM 1090 CD GLU A 65 -5.724 9.832 11.217 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -6.045 8.683 10.849 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -6.471 10.824 11.095 1.00 0.00 O ATOM 0 H GLU A 65 -1.416 8.011 12.869 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.191 9.972 14.078 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.082 8.321 11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.590 8.021 12.541 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.434 10.775 12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.673 10.430 11.098 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.169 6.831 14.964 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.674 5.877 15.947 1.00 0.00 C ATOM 1101 C LEU A 66 -3.628 6.466 17.353 1.00 0.00 C ATOM 1102 O LEU A 66 -2.586 6.443 18.008 1.00 0.00 O ATOM 1103 CB LEU A 66 -2.840 4.592 15.912 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.389 3.443 15.057 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -3.964 3.949 13.737 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.292 2.419 14.807 1.00 0.00 C ATOM 0 H LEU A 66 -2.384 6.489 14.410 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.710 5.651 15.693 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.843 4.842 15.548 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.725 4.232 16.934 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.204 2.970 15.605 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.343 3.107 13.159 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.777 4.647 13.938 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.183 4.456 13.170 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.686 1.604 14.199 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.463 2.895 14.283 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.940 2.023 15.760 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.759 6.982 17.820 1.00 0.00 N ATOM 1119 CA GLY A 67 -4.812 7.552 19.153 1.00 0.00 C ATOM 1120 C GLY A 67 -4.882 6.489 20.236 1.00 0.00 C ATOM 1121 O GLY A 67 -4.877 6.805 21.426 1.00 0.00 O ATOM 0 H GLY A 67 -5.637 7.016 17.302 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.931 8.174 19.314 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.682 8.205 19.232 1.00 0.00 H new ATOM 1125 N THR A 68 -4.949 5.224 19.823 1.00 0.00 N ATOM 1126 CA THR A 68 -5.023 4.110 20.760 1.00 0.00 C ATOM 1127 C THR A 68 -3.752 3.267 20.691 1.00 0.00 C ATOM 1128 O THR A 68 -2.936 3.437 19.784 1.00 0.00 O ATOM 1129 CB THR A 68 -6.256 3.246 20.466 1.00 0.00 C ATOM 1130 OG1 THR A 68 -5.956 2.245 19.508 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.439 4.041 19.944 1.00 0.00 C ATOM 0 H THR A 68 -4.953 4.947 18.841 1.00 0.00 H new ATOM 0 HA THR A 68 -5.114 4.513 21.769 1.00 0.00 H new ATOM 0 HB THR A 68 -6.529 2.805 21.425 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.529 2.656 18.728 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.276 3.368 19.757 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.731 4.787 20.683 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.161 4.540 19.016 1.00 0.00 H new ATOM 1139 N ALA A 69 -3.586 2.365 21.660 1.00 0.00 N ATOM 1140 CA ALA A 69 -2.409 1.493 21.723 1.00 0.00 C ATOM 1141 C ALA A 69 -1.948 1.052 20.336 1.00 0.00 C ATOM 1142 O ALA A 69 -0.891 1.465 19.862 1.00 0.00 O ATOM 1143 CB ALA A 69 -2.704 0.275 22.584 1.00 0.00 C ATOM 0 H ALA A 69 -4.255 2.218 22.416 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.600 2.070 22.172 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.823 -0.365 22.623 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.964 0.597 23.592 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.537 -0.281 22.154 1.00 0.00 H new ATOM 1149 N GLY A 70 -2.750 0.213 19.691 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.406 -0.268 18.367 1.00 0.00 C ATOM 1151 C GLY A 70 -1.662 -1.588 18.404 1.00 0.00 C ATOM 1152 O GLY A 70 -0.519 -1.653 18.855 1.00 0.00 O ATOM 0 H GLY A 70 -3.632 -0.142 20.061 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.316 -0.384 17.778 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.792 0.477 17.861 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.314 -2.643 17.929 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.707 -3.968 17.906 1.00 0.00 C ATOM 1158 C ASN A 71 -2.478 -4.901 16.986 1.00 0.00 C ATOM 1159 O ASN A 71 -3.543 -4.558 16.484 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.653 -4.557 19.317 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.233 -4.822 19.776 1.00 0.00 C ATOM 1162 OD1 ASN A 71 0.399 -3.969 20.399 1.00 0.00 O ATOM 1163 ND2 ASN A 71 0.277 -6.009 19.467 1.00 0.00 N ATOM 0 H ASN A 71 -3.262 -2.606 17.555 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.691 -3.865 17.525 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.135 -3.871 20.013 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.220 -5.488 19.342 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.229 -6.244 19.748 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.284 -6.686 18.949 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.930 -6.081 16.764 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.565 -7.063 15.900 1.00 0.00 C ATOM 1172 C LEU A 72 -3.489 -7.975 16.709 1.00 0.00 C ATOM 1173 O LEU A 72 -3.031 -8.742 17.556 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.491 -7.878 15.174 1.00 0.00 C ATOM 1175 CG LEU A 72 -0.388 -7.051 14.491 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -0.979 -5.861 13.753 1.00 0.00 C ATOM 1177 CD2 LEU A 72 0.640 -6.574 15.507 1.00 0.00 C ATOM 0 H LEU A 72 -1.045 -6.385 17.170 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.175 -6.546 15.159 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.024 -8.554 15.891 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.976 -8.498 14.421 1.00 0.00 H new ATOM 0 HG LEU A 72 0.109 -7.697 13.768 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.179 -5.293 13.279 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.674 -6.214 12.991 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.509 -5.222 14.459 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.409 -5.992 15.000 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.150 -5.953 16.257 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.098 -7.435 15.993 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.794 -7.891 16.439 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.781 -8.715 17.138 1.00 0.00 C ATOM 1191 C GLU A 73 -6.262 -9.850 16.236 1.00 0.00 C ATOM 1192 O GLU A 73 -6.218 -9.740 15.010 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.978 -7.864 17.586 1.00 0.00 C ATOM 1194 CG GLU A 73 -7.450 -8.147 19.003 1.00 0.00 C ATOM 1195 CD GLU A 73 -8.887 -8.636 19.047 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -9.142 -9.768 18.586 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -9.755 -7.884 19.538 1.00 0.00 O ATOM 0 H GLU A 73 -5.191 -7.261 15.742 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.303 -9.140 18.021 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.709 -6.810 17.508 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.807 -8.033 16.899 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.800 -8.895 19.457 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.359 -7.241 19.601 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.722 -10.936 16.848 1.00 0.00 N ATOM 1205 CA GLY A 74 -7.205 -12.073 16.082 1.00 0.00 C ATOM 1206 C GLY A 74 -6.168 -12.606 15.113 1.00 0.00 C ATOM 1207 O GLY A 74 -5.039 -12.117 15.069 1.00 0.00 O ATOM 0 H GLY A 74 -6.770 -11.050 17.860 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.500 -12.868 16.766 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.098 -11.781 15.529 1.00 0.00 H new ATOM 1211 N GLY A 75 -6.553 -13.611 14.330 1.00 0.00 N ATOM 1212 CA GLY A 75 -5.638 -14.193 13.365 1.00 0.00 C ATOM 1213 C GLY A 75 -5.018 -13.151 12.455 1.00 0.00 C ATOM 1214 O GLY A 75 -3.856 -13.268 12.067 1.00 0.00 O ATOM 0 H GLY A 75 -7.482 -14.032 14.347 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.848 -14.726 13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.170 -14.928 12.761 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.797 -12.130 12.115 1.00 0.00 N ATOM 1219 CA ARG A 76 -5.318 -11.064 11.247 1.00 0.00 C ATOM 1220 C ARG A 76 -4.651 -9.956 12.060 1.00 0.00 C ATOM 1221 O ARG A 76 -4.257 -10.166 13.207 1.00 0.00 O ATOM 1222 CB ARG A 76 -6.472 -10.492 10.417 1.00 0.00 C ATOM 1223 CG ARG A 76 -7.318 -11.555 9.737 1.00 0.00 C ATOM 1224 CD ARG A 76 -6.941 -11.708 8.273 1.00 0.00 C ATOM 1225 NE ARG A 76 -5.927 -12.744 8.075 1.00 0.00 N ATOM 1226 CZ ARG A 76 -6.098 -13.825 7.317 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -7.239 -14.027 6.669 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -5.119 -14.711 7.202 1.00 0.00 N ATOM 0 H ARG A 76 -6.762 -12.019 12.428 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.574 -11.486 10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.110 -9.891 11.064 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.066 -9.823 9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.189 -12.508 10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.372 -11.290 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.830 -11.955 7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.567 -10.757 7.893 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.031 -12.631 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.998 -13.350 6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.357 -14.859 6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.237 -14.564 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.247 -15.540 6.622 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.515 -8.783 11.450 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.886 -7.646 12.100 1.00 0.00 C ATOM 1244 C ALA A 77 -4.919 -6.594 12.499 1.00 0.00 C ATOM 1245 O ALA A 77 -4.977 -5.511 11.917 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.847 -7.057 11.162 1.00 0.00 C ATOM 0 H ALA A 77 -4.836 -8.598 10.500 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.401 -7.981 13.017 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.368 -6.202 11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.095 -7.812 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.331 -6.733 10.240 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.738 -6.925 13.490 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.777 -6.019 13.965 1.00 0.00 C ATOM 1254 C ILE A 78 -6.230 -5.020 14.977 1.00 0.00 C ATOM 1255 O ILE A 78 -6.176 -5.298 16.174 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.933 -6.805 14.606 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -8.573 -7.735 13.580 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.973 -5.866 15.208 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.733 -9.156 14.070 1.00 0.00 C ATOM 0 H ILE A 78 -5.702 -7.818 13.982 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.145 -5.471 13.097 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.525 -7.409 15.417 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.552 -7.341 13.306 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.965 -7.738 12.675 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.777 -6.451 15.653 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.505 -5.249 15.975 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.381 -5.225 14.426 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.194 -9.760 13.289 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.755 -9.568 14.317 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.366 -9.166 14.958 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.834 -3.855 14.491 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.298 -2.815 15.355 1.00 0.00 C ATOM 1273 C LEU A 79 -6.376 -1.812 15.722 1.00 0.00 C ATOM 1274 O LEU A 79 -7.520 -1.941 15.296 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.147 -2.105 14.659 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.554 -1.309 13.424 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -4.631 0.171 13.752 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.578 -1.563 12.285 1.00 0.00 C ATOM 0 H LEU A 79 -5.873 -3.605 13.503 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.934 -3.282 16.270 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.669 -1.431 15.370 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.401 -2.845 14.370 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.543 -1.639 13.104 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.923 0.727 12.861 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.369 0.332 14.538 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.656 0.519 14.094 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.882 -0.988 11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.577 -1.259 12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.575 -2.625 12.038 1.00 0.00 H new ATOM 1290 N GLN A 80 -6.005 -0.816 16.516 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.951 0.203 16.945 1.00 0.00 C ATOM 1292 C GLN A 80 -6.321 1.589 16.910 1.00 0.00 C ATOM 1293 O GLN A 80 -5.144 1.760 17.226 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.445 -0.110 18.357 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.517 0.845 18.848 1.00 0.00 C ATOM 1296 CD GLN A 80 -8.932 0.581 20.284 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -9.123 1.512 21.067 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -9.078 -0.690 20.638 1.00 0.00 N ATOM 0 H GLN A 80 -5.058 -0.693 16.875 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.795 0.197 16.255 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.837 -1.127 18.379 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.600 -0.079 19.044 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.151 1.868 18.763 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.391 0.765 18.202 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.910 -1.431 19.958 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.358 -0.925 21.590 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.120 2.577 16.519 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.638 3.941 16.443 1.00 0.00 C ATOM 1309 C GLY A 81 -7.597 4.851 15.704 1.00 0.00 C ATOM 1310 O GLY A 81 -8.637 5.234 16.240 1.00 0.00 O ATOM 0 H GLY A 81 -8.097 2.454 16.253 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.481 4.325 17.451 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.670 3.954 15.942 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.241 5.197 14.472 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.067 6.070 13.649 1.00 0.00 C ATOM 1316 C LYS A 82 -7.834 5.824 12.158 1.00 0.00 C ATOM 1317 O LYS A 82 -8.204 6.651 11.325 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.774 7.535 13.980 1.00 0.00 C ATOM 1319 CG LYS A 82 -8.997 8.318 14.425 1.00 0.00 C ATOM 1320 CD LYS A 82 -9.160 8.279 15.935 1.00 0.00 C ATOM 1321 CE LYS A 82 -10.625 8.248 16.334 1.00 0.00 C ATOM 1322 NZ LYS A 82 -10.797 8.037 17.798 1.00 0.00 N ATOM 0 H LYS A 82 -6.382 4.884 14.020 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.110 5.844 13.871 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.021 7.577 14.767 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.345 8.018 13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.909 9.353 14.093 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.888 7.906 13.950 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.654 7.400 16.334 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.679 9.152 16.377 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.100 9.185 16.044 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.133 7.451 15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.811 8.022 18.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.366 7.131 18.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.335 8.811 18.317 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.234 4.685 11.817 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.978 4.352 10.419 1.00 0.00 C ATOM 1338 C PHE A 83 -8.242 3.794 9.774 1.00 0.00 C ATOM 1339 O PHE A 83 -8.225 2.738 9.140 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.818 3.353 10.315 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.515 3.972 9.872 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.280 5.335 10.014 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.527 3.186 9.304 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.088 5.894 9.598 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.334 3.743 8.882 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.115 5.098 9.029 1.00 0.00 C ATOM 0 H PHE A 83 -6.918 3.982 12.485 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.693 5.257 9.883 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.672 2.879 11.285 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.092 2.565 9.613 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.039 5.964 10.455 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.690 2.125 9.189 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.917 6.954 9.718 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.574 3.118 8.437 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.184 5.534 8.699 1.00 0.00 H new ATOM 1356 N THR A 84 -9.341 4.526 9.943 1.00 0.00 N ATOM 1357 CA THR A 84 -10.627 4.138 9.392 1.00 0.00 C ATOM 1358 C THR A 84 -10.687 4.488 7.909 1.00 0.00 C ATOM 1359 O THR A 84 -11.334 5.458 7.514 1.00 0.00 O ATOM 1360 CB THR A 84 -11.745 4.840 10.169 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.821 4.327 11.491 1.00 0.00 O ATOM 1362 CG2 THR A 84 -13.113 4.695 9.537 1.00 0.00 C ATOM 0 H THR A 84 -9.360 5.402 10.465 1.00 0.00 H new ATOM 0 HA THR A 84 -10.759 3.060 9.489 1.00 0.00 H new ATOM 0 HB THR A 84 -11.482 5.898 10.162 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.538 4.784 11.979 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.852 5.218 10.144 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.098 5.123 8.535 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.376 3.639 9.476 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.979 3.700 7.100 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.907 3.920 5.657 1.00 0.00 C ATOM 1372 C HIS A 85 -9.791 5.406 5.348 1.00 0.00 C ATOM 1373 O HIS A 85 -10.347 5.898 4.366 1.00 0.00 O ATOM 1374 CB HIS A 85 -11.144 3.345 4.968 1.00 0.00 C ATOM 1375 CG HIS A 85 -12.430 3.895 5.501 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -12.790 5.220 5.384 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -13.445 3.292 6.164 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -13.968 5.411 5.951 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -14.388 4.255 6.434 1.00 0.00 N ATOM 0 H HIS A 85 -9.442 2.896 7.425 1.00 0.00 H new ATOM 0 HA HIS A 85 -9.020 3.411 5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.084 3.551 3.899 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.145 2.261 5.084 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -12.232 5.943 4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -13.503 2.247 6.431 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.497 6.351 6.010 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.048 6.108 6.193 1.00 0.00 N ATOM 1388 CA PHE A 86 -8.830 7.534 6.019 1.00 0.00 C ATOM 1389 C PHE A 86 -7.569 7.784 5.209 1.00 0.00 C ATOM 1390 O PHE A 86 -7.627 8.036 4.009 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.750 8.235 7.375 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.011 8.969 7.727 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.588 9.841 6.819 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.622 8.782 8.955 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -11.754 10.514 7.131 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -11.787 9.453 9.273 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.354 10.320 8.359 1.00 0.00 C ATOM 0 H PHE A 86 -8.585 5.709 7.009 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.676 7.948 5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.537 7.497 8.148 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.917 8.937 7.367 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -10.122 9.997 5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.183 8.104 9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.195 11.191 6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.254 9.300 10.235 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.265 10.845 8.605 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.426 7.702 5.879 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.141 7.910 5.231 1.00 0.00 C ATOM 1409 C LEU A 87 -4.808 6.747 4.306 1.00 0.00 C ATOM 1410 O LEU A 87 -4.343 6.948 3.185 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.041 8.063 6.281 1.00 0.00 C ATOM 1412 CG LEU A 87 -4.096 9.358 7.094 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -3.763 9.085 8.553 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -3.148 10.396 6.510 1.00 0.00 C ATOM 0 H LEU A 87 -6.365 7.492 6.875 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.203 8.822 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.096 7.218 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.073 8.006 5.782 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.110 9.755 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.807 10.017 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.483 8.378 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.760 8.664 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.201 11.310 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.129 10.010 6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.435 10.612 5.481 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.043 5.529 4.783 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.753 4.342 3.989 1.00 0.00 C ATOM 1428 C ILE A 88 -5.549 4.335 2.691 1.00 0.00 C ATOM 1429 O ILE A 88 -4.981 4.360 1.602 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.079 3.042 4.757 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.520 3.082 6.191 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.543 1.838 3.992 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -4.689 1.776 6.938 1.00 0.00 C ATOM 0 H ILE A 88 -5.430 5.339 5.707 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.685 4.378 3.772 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.162 2.951 4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.461 3.336 6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.019 3.877 6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.777 0.925 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.006 1.798 3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.462 1.928 3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.274 1.874 7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.749 1.531 7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.166 0.982 6.405 1.00 0.00 H new ATOM 1445 N ASN A 89 -6.867 4.295 2.818 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.749 4.267 1.658 1.00 0.00 C ATOM 1447 C ASN A 89 -7.452 5.408 0.689 1.00 0.00 C ATOM 1448 O ASN A 89 -7.400 5.204 -0.524 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.206 4.332 2.111 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.115 3.476 1.252 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.367 3.791 0.090 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -10.611 2.385 1.821 1.00 0.00 N ATOM 0 H ASN A 89 -7.352 4.281 3.715 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.571 3.331 1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.276 4.005 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.548 5.366 2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.228 1.769 1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.375 2.162 2.788 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.262 6.605 1.226 1.00 0.00 N ATOM 1460 CA GLU A 90 -6.981 7.772 0.399 1.00 0.00 C ATOM 1461 C GLU A 90 -5.644 7.628 -0.320 1.00 0.00 C ATOM 1462 O GLU A 90 -5.539 7.916 -1.511 1.00 0.00 O ATOM 1463 CB GLU A 90 -6.982 9.039 1.254 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.583 10.248 0.555 1.00 0.00 C ATOM 1465 CD GLU A 90 -6.538 11.256 0.115 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -5.334 11.002 0.331 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -6.925 12.302 -0.446 1.00 0.00 O ATOM 0 H GLU A 90 -7.297 6.794 2.228 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.766 7.848 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.538 8.847 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.958 9.271 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.148 9.914 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.290 10.735 1.226 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.626 7.185 0.408 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.295 7.008 -0.163 1.00 0.00 C ATOM 1476 C ARG A 91 -3.299 5.946 -1.258 1.00 0.00 C ATOM 1477 O ARG A 91 -2.782 6.169 -2.353 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.305 6.609 0.926 1.00 0.00 C ATOM 1479 CG ARG A 91 -2.001 7.713 1.929 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.542 8.139 1.874 1.00 0.00 C ATOM 1481 NE ARG A 91 -0.337 9.453 2.478 1.00 0.00 N ATOM 1482 CZ ARG A 91 0.732 10.215 2.254 1.00 0.00 C ATOM 1483 NH1 ARG A 91 1.711 9.783 1.470 1.00 0.00 N ATOM 1484 NH2 ARG A 91 0.827 11.408 2.826 1.00 0.00 N ATOM 0 H ARG A 91 -4.696 6.941 1.396 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.993 7.958 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.700 5.746 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.373 6.294 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.639 8.573 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.241 7.367 2.934 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.072 7.402 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.208 8.160 0.837 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.055 9.808 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.647 8.863 1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.527 10.371 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.081 11.741 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.646 11.992 2.655 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.879 4.787 -0.954 1.00 0.00 N ATOM 1499 CA ILE A 92 -3.947 3.690 -1.912 1.00 0.00 C ATOM 1500 C ILE A 92 -4.628 4.146 -3.200 1.00 0.00 C ATOM 1501 O ILE A 92 -4.067 4.045 -4.289 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.727 2.491 -1.332 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -4.083 2.021 -0.027 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.795 1.344 -2.334 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.800 0.853 0.614 1.00 0.00 C ATOM 0 H ILE A 92 -4.308 4.585 -0.051 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.924 3.380 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.746 2.818 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.049 1.739 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.059 2.853 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.350 0.513 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.298 1.682 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.785 1.016 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.288 0.573 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.827 1.137 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.801 0.006 -0.072 1.00 0.00 H new ATOM 1517 N GLU A 93 -5.847 4.653 -3.059 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.621 5.131 -4.197 1.00 0.00 C ATOM 1519 C GLU A 93 -5.942 6.324 -4.871 1.00 0.00 C ATOM 1520 O GLU A 93 -6.171 6.592 -6.051 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.032 5.516 -3.747 1.00 0.00 C ATOM 1522 CG GLU A 93 -8.837 4.346 -3.202 1.00 0.00 C ATOM 1523 CD GLU A 93 -10.332 4.587 -3.261 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -10.836 4.934 -4.349 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -11.001 4.426 -2.217 1.00 0.00 O ATOM 0 H GLU A 93 -6.323 4.744 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.682 4.323 -4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.962 6.287 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.567 5.953 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.595 3.448 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.544 4.158 -2.169 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.110 7.040 -4.119 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.406 8.205 -4.651 1.00 0.00 C ATOM 1534 C ASP A 94 -3.465 7.812 -5.786 1.00 0.00 C ATOM 1535 O ASP A 94 -3.551 8.346 -6.891 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.610 8.902 -3.544 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.052 10.243 -3.981 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -3.298 10.641 -5.139 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -2.369 10.895 -3.163 1.00 0.00 O ATOM 0 H ASP A 94 -4.907 6.835 -3.141 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.156 8.892 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.253 9.046 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.790 8.256 -3.230 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.562 6.879 -5.500 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.595 6.414 -6.489 1.00 0.00 C ATOM 1546 C TYR A 95 -2.182 5.296 -7.337 1.00 0.00 C ATOM 1547 O TYR A 95 -2.214 5.386 -8.565 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.322 5.920 -5.798 1.00 0.00 C ATOM 1549 CG TYR A 95 0.043 6.700 -4.555 1.00 0.00 C ATOM 1550 CD1 TYR A 95 0.082 8.086 -4.569 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.342 6.046 -3.370 1.00 0.00 C ATOM 1552 CE1 TYR A 95 0.412 8.801 -3.434 1.00 0.00 C ATOM 1553 CE2 TYR A 95 0.671 6.751 -2.228 1.00 0.00 C ATOM 1554 CZ TYR A 95 0.704 8.128 -2.266 1.00 0.00 C ATOM 1555 OH TYR A 95 1.034 8.834 -1.135 1.00 0.00 O ATOM 0 H TYR A 95 -2.480 6.429 -4.588 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.349 7.254 -7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.449 4.870 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.507 5.972 -6.504 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -0.149 8.615 -5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.317 4.967 -3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.441 9.880 -3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 95 0.901 6.227 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 95 0.583 9.704 -1.149 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.641 4.240 -6.675 1.00 0.00 N ATOM 1566 CA VAL A 96 -3.224 3.099 -7.367 1.00 0.00 C ATOM 1567 C VAL A 96 -4.307 3.542 -8.345 1.00 0.00 C ATOM 1568 O VAL A 96 -4.336 3.100 -9.493 1.00 0.00 O ATOM 1569 CB VAL A 96 -3.832 2.080 -6.383 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -4.294 0.839 -7.130 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -2.833 1.709 -5.294 1.00 0.00 C ATOM 0 H VAL A 96 -2.620 4.151 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.410 2.622 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.695 2.541 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.721 0.127 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.048 1.117 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.444 0.382 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.287 0.989 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.946 1.269 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.550 2.604 -4.740 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.188 4.430 -7.891 1.00 0.00 N ATOM 1582 CA ASN A 97 -6.260 4.942 -8.733 1.00 0.00 C ATOM 1583 C ASN A 97 -6.036 6.419 -9.061 1.00 0.00 C ATOM 1584 O ASN A 97 -6.940 7.238 -8.915 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.611 4.753 -8.036 1.00 0.00 C ATOM 1586 CG ASN A 97 -8.744 4.513 -9.015 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -8.889 3.421 -9.562 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -9.556 5.534 -9.233 1.00 0.00 N ATOM 0 H ASN A 97 -5.179 4.809 -6.944 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.261 4.382 -9.668 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.546 3.910 -7.348 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.834 5.637 -7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.341 5.433 -9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.398 6.422 -8.757 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.831 6.758 -9.506 1.00 0.00 N ATOM 1596 CA LYS A 98 -4.507 8.142 -9.852 1.00 0.00 C ATOM 1597 C LYS A 98 -4.991 8.496 -11.257 1.00 0.00 C ATOM 1598 O LYS A 98 -5.023 9.666 -11.631 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.999 8.376 -9.754 1.00 0.00 C ATOM 1600 CG LYS A 98 -2.620 9.843 -9.700 1.00 0.00 C ATOM 1601 CD LYS A 98 -1.144 10.047 -9.982 1.00 0.00 C ATOM 1602 CE LYS A 98 -0.816 11.517 -10.179 1.00 0.00 C ATOM 1603 NZ LYS A 98 -0.874 11.924 -11.610 1.00 0.00 N ATOM 0 H LYS A 98 -4.064 6.099 -9.636 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.022 8.787 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.618 7.877 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.510 7.913 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.211 10.399 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.863 10.247 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.556 9.649 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.861 9.487 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.515 12.123 -9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.180 11.720 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.030 12.359 -11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.049 11.087 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.644 12.610 -11.745 1.00 0.00 H new ATOM 1617 N PHE A 99 -5.355 7.484 -12.038 1.00 0.00 N ATOM 1618 CA PHE A 99 -5.821 7.705 -13.403 1.00 0.00 C ATOM 1619 C PHE A 99 -7.253 8.233 -13.432 1.00 0.00 C ATOM 1620 O PHE A 99 -7.524 9.281 -14.020 1.00 0.00 O ATOM 1621 CB PHE A 99 -5.720 6.405 -14.201 1.00 0.00 C ATOM 1622 CG PHE A 99 -4.374 5.749 -14.094 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -3.312 6.190 -14.866 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -4.169 4.696 -13.217 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -2.070 5.590 -14.768 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -2.930 4.092 -13.114 1.00 0.00 C ATOM 1627 CZ PHE A 99 -1.878 4.541 -13.891 1.00 0.00 C ATOM 0 H PHE A 99 -5.337 6.506 -11.751 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.183 8.462 -13.858 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.484 5.711 -13.851 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.934 6.612 -15.250 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.456 7.012 -15.552 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.987 4.343 -12.607 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.251 5.942 -15.377 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.784 3.271 -12.428 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.908 4.072 -13.812 1.00 0.00 H new ATOM 1637 N VAL A 100 -8.166 7.503 -12.805 1.00 0.00 N ATOM 1638 CA VAL A 100 -9.569 7.897 -12.770 1.00 0.00 C ATOM 1639 C VAL A 100 -9.823 8.987 -11.717 1.00 0.00 C ATOM 1640 O VAL A 100 -10.944 9.473 -11.571 1.00 0.00 O ATOM 1641 CB VAL A 100 -10.478 6.675 -12.498 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -11.948 7.020 -12.693 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -10.089 5.508 -13.400 1.00 0.00 C ATOM 0 H VAL A 100 -7.960 6.634 -12.313 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.814 8.308 -13.749 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.335 6.383 -11.458 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -12.558 6.139 -12.494 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.229 7.818 -12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.111 7.350 -13.719 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -10.739 4.657 -13.195 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.196 5.803 -14.444 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.053 5.228 -13.207 1.00 0.00 H new ATOM 1653 N ILE A 101 -8.774 9.384 -10.992 1.00 0.00 N ATOM 1654 CA ILE A 101 -8.898 10.424 -9.970 1.00 0.00 C ATOM 1655 C ILE A 101 -8.154 11.692 -10.377 1.00 0.00 C ATOM 1656 O ILE A 101 -8.698 12.792 -10.294 1.00 0.00 O ATOM 1657 CB ILE A 101 -8.363 9.940 -8.608 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -9.117 8.688 -8.176 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -8.485 11.026 -7.545 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -10.612 8.890 -8.053 1.00 0.00 C ATOM 0 H ILE A 101 -7.834 9.002 -11.094 1.00 0.00 H new ATOM 0 HA ILE A 101 -9.961 10.648 -9.876 1.00 0.00 H new ATOM 0 HB ILE A 101 -7.305 9.705 -8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.925 7.892 -8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.725 8.351 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.099 10.652 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.911 11.901 -7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.533 11.303 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.081 7.956 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -10.815 9.663 -7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -11.018 9.197 -9.017 1.00 0.00 H new ATOM 1672 N CYS A 102 -6.909 11.533 -10.819 1.00 0.00 N ATOM 1673 CA CYS A 102 -6.102 12.675 -11.238 1.00 0.00 C ATOM 1674 C CYS A 102 -6.447 13.111 -12.664 1.00 0.00 C ATOM 1675 O CYS A 102 -5.774 13.968 -13.237 1.00 0.00 O ATOM 1676 CB CYS A 102 -4.611 12.346 -11.139 1.00 0.00 C ATOM 1677 SG CYS A 102 -3.527 13.794 -11.177 1.00 0.00 S ATOM 0 H CYS A 102 -6.440 10.631 -10.896 1.00 0.00 H new ATOM 0 HA CYS A 102 -6.330 13.502 -10.565 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.432 11.797 -10.215 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.342 11.683 -11.961 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.834 13.846 -10.079 1.00 0.00 H new ATOM 1682 N HIS A 103 -7.503 12.521 -13.231 1.00 0.00 N ATOM 1683 CA HIS A 103 -7.939 12.853 -14.583 1.00 0.00 C ATOM 1684 C HIS A 103 -6.898 12.440 -15.620 1.00 0.00 C ATOM 1685 O HIS A 103 -6.463 13.252 -16.437 1.00 0.00 O ATOM 1686 CB HIS A 103 -8.237 14.350 -14.693 1.00 0.00 C ATOM 1687 CG HIS A 103 -9.282 14.817 -13.729 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -9.012 15.660 -12.672 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -10.609 14.547 -13.661 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -10.123 15.889 -11.995 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -11.106 15.226 -12.575 1.00 0.00 N ATOM 0 H HIS A 103 -8.071 11.810 -12.770 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.853 12.295 -14.787 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.318 14.910 -14.521 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.563 14.575 -15.709 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.170 13.916 -14.334 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.212 16.512 -11.117 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -12.078 15.219 -12.267 1.00 0.00 H new ATOM 1699 N GLU A 104 -6.511 11.167 -15.584 1.00 0.00 N ATOM 1700 CA GLU A 104 -5.527 10.630 -16.521 1.00 0.00 C ATOM 1701 C GLU A 104 -4.337 11.573 -16.678 1.00 0.00 C ATOM 1702 O GLU A 104 -4.150 12.184 -17.730 1.00 0.00 O ATOM 1703 CB GLU A 104 -6.174 10.374 -17.884 1.00 0.00 C ATOM 1704 CG GLU A 104 -5.214 9.811 -18.920 1.00 0.00 C ATOM 1705 CD GLU A 104 -5.306 8.303 -19.040 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -6.421 7.762 -18.893 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -4.261 7.662 -19.281 1.00 0.00 O ATOM 0 H GLU A 104 -6.866 10.486 -14.913 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.162 9.687 -16.115 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.005 9.681 -17.757 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.592 11.308 -18.259 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.425 10.263 -19.889 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.194 10.089 -18.654 1.00 0.00 H new ATOM 1714 N CYS A 105 -3.534 11.683 -15.627 1.00 0.00 N ATOM 1715 CA CYS A 105 -2.362 12.548 -15.656 1.00 0.00 C ATOM 1716 C CYS A 105 -1.242 11.914 -16.474 1.00 0.00 C ATOM 1717 O CYS A 105 -0.165 11.621 -15.953 1.00 0.00 O ATOM 1718 CB CYS A 105 -1.880 12.833 -14.234 1.00 0.00 C ATOM 1719 SG CYS A 105 -1.127 14.463 -14.036 1.00 0.00 S ATOM 0 H CYS A 105 -3.672 11.186 -14.747 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.643 13.489 -16.129 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.724 12.747 -13.550 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.156 12.071 -13.945 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.035 15.319 -13.671 1.00 0.00 H new ATOM 1724 N ASN A 106 -1.507 11.702 -17.758 1.00 0.00 N ATOM 1725 CA ASN A 106 -0.530 11.100 -18.655 1.00 0.00 C ATOM 1726 C ASN A 106 0.611 12.087 -18.957 1.00 0.00 C ATOM 1727 O ASN A 106 1.492 12.284 -18.118 1.00 0.00 O ATOM 1728 CB ASN A 106 -1.234 10.614 -19.930 1.00 0.00 C ATOM 1729 CG ASN A 106 -0.834 9.205 -20.312 1.00 0.00 C ATOM 1730 OD1 ASN A 106 -0.574 8.365 -19.450 1.00 0.00 O ATOM 1731 ND2 ASN A 106 -0.787 8.939 -21.611 1.00 0.00 N ATOM 0 H ASN A 106 -2.394 11.939 -18.202 1.00 0.00 H new ATOM 0 HA ASN A 106 -0.075 10.234 -18.173 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.313 10.655 -19.783 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -0.998 11.290 -20.752 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.527 8.006 -21.931 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.011 9.667 -22.289 1.00 0.00 H new ATOM 1738 N ARG A 107 0.599 12.713 -20.138 1.00 0.00 N ATOM 1739 CA ARG A 107 1.632 13.678 -20.505 1.00 0.00 C ATOM 1740 C ARG A 107 1.098 15.116 -20.482 1.00 0.00 C ATOM 1741 O ARG A 107 1.075 15.780 -21.520 1.00 0.00 O ATOM 1742 CB ARG A 107 2.185 13.357 -21.897 1.00 0.00 C ATOM 1743 CG ARG A 107 2.739 11.947 -22.023 1.00 0.00 C ATOM 1744 CD ARG A 107 4.255 11.947 -22.144 1.00 0.00 C ATOM 1745 NE ARG A 107 4.789 10.599 -22.315 1.00 0.00 N ATOM 1746 CZ ARG A 107 4.806 9.682 -21.351 1.00 0.00 C ATOM 1747 NH1 ARG A 107 4.327 9.968 -20.146 1.00 0.00 N ATOM 1748 NH2 ARG A 107 5.307 8.478 -21.590 1.00 0.00 N ATOM 0 H ARG A 107 -0.114 12.567 -20.853 1.00 0.00 H new ATOM 0 HA ARG A 107 2.430 13.601 -19.767 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.393 13.494 -22.634 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.973 14.071 -22.139 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.443 11.361 -21.153 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.304 11.462 -22.897 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.551 12.565 -22.992 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.690 12.399 -21.253 1.00 0.00 H new ATOM 0 HE ARG A 107 5.171 10.346 -23.226 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.944 10.894 -19.956 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.342 9.262 -19.410 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.679 8.255 -22.513 1.00 0.00 H new ATOM 0 HH22 ARG A 107 5.320 7.775 -20.851 1.00 0.00 H new ATOM 1762 N PRO A 108 0.659 15.632 -19.318 1.00 0.00 N ATOM 1763 CA PRO A 108 0.134 16.998 -19.233 1.00 0.00 C ATOM 1764 C PRO A 108 1.098 18.024 -19.820 1.00 0.00 C ATOM 1765 O PRO A 108 2.314 17.911 -19.664 1.00 0.00 O ATOM 1766 CB PRO A 108 -0.047 17.226 -17.729 1.00 0.00 C ATOM 1767 CG PRO A 108 -0.207 15.861 -17.157 1.00 0.00 C ATOM 1768 CD PRO A 108 0.628 14.947 -18.013 1.00 0.00 C ATOM 0 HA PRO A 108 -0.788 17.115 -19.803 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.815 17.737 -17.299 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.920 17.846 -17.525 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.124 15.833 -16.119 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -1.253 15.555 -17.166 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.630 14.818 -17.604 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.185 13.954 -18.091 1.00 0.00 H new ATOM 1776 N ASP A 109 0.542 19.030 -20.493 1.00 0.00 N ATOM 1777 CA ASP A 109 1.340 20.089 -21.106 1.00 0.00 C ATOM 1778 C ASP A 109 1.716 21.144 -20.068 1.00 0.00 C ATOM 1779 O ASP A 109 1.667 22.344 -20.336 1.00 0.00 O ATOM 1780 CB ASP A 109 0.554 20.736 -22.251 1.00 0.00 C ATOM 1781 CG ASP A 109 1.180 20.475 -23.606 1.00 0.00 C ATOM 1782 OD1 ASP A 109 1.494 19.302 -23.899 1.00 0.00 O ATOM 1783 OD2 ASP A 109 1.355 21.443 -24.375 1.00 0.00 O ATOM 0 H ASP A 109 -0.464 19.133 -20.628 1.00 0.00 H new ATOM 0 HA ASP A 109 2.256 19.652 -21.503 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -0.467 20.355 -22.247 1.00 0.00 H new ATOM 0 HB3 ASP A 109 0.494 21.811 -22.084 1.00 0.00 H new ATOM 1788 N THR A 110 2.073 20.681 -18.878 1.00 0.00 N ATOM 1789 CA THR A 110 2.435 21.562 -17.784 1.00 0.00 C ATOM 1790 C THR A 110 3.724 21.098 -17.125 1.00 0.00 C ATOM 1791 O THR A 110 4.291 20.073 -17.502 1.00 0.00 O ATOM 1792 CB THR A 110 1.304 21.604 -16.765 1.00 0.00 C ATOM 1793 OG1 THR A 110 0.658 20.337 -16.706 1.00 0.00 O ATOM 1794 CG2 THR A 110 0.270 22.671 -17.080 1.00 0.00 C ATOM 0 H THR A 110 2.119 19.688 -18.648 1.00 0.00 H new ATOM 0 HA THR A 110 2.599 22.565 -18.179 1.00 0.00 H new ATOM 0 HB THR A 110 1.755 21.852 -15.804 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.589 20.048 -15.772 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.512 22.655 -16.321 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.748 23.650 -17.088 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.169 22.474 -18.058 1.00 0.00 H new ATOM 1802 N ARG A 111 4.189 21.863 -16.149 1.00 0.00 N ATOM 1803 CA ARG A 111 5.419 21.532 -15.449 1.00 0.00 C ATOM 1804 C ARG A 111 5.135 20.620 -14.259 1.00 0.00 C ATOM 1805 O ARG A 111 4.738 21.077 -13.187 1.00 0.00 O ATOM 1806 CB ARG A 111 6.110 22.809 -14.972 1.00 0.00 C ATOM 1807 CG ARG A 111 7.616 22.671 -14.835 1.00 0.00 C ATOM 1808 CD ARG A 111 8.334 23.171 -16.077 1.00 0.00 C ATOM 1809 NE ARG A 111 9.342 22.221 -16.541 1.00 0.00 N ATOM 1810 CZ ARG A 111 9.755 22.130 -17.803 1.00 0.00 C ATOM 1811 NH1 ARG A 111 9.253 22.930 -18.736 1.00 0.00 N ATOM 1812 NH2 ARG A 111 10.676 21.236 -18.133 1.00 0.00 N ATOM 0 H ARG A 111 3.733 22.716 -15.825 1.00 0.00 H new ATOM 0 HA ARG A 111 6.076 21.005 -16.140 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.890 23.615 -15.672 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.691 23.101 -14.009 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.957 23.233 -13.965 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.873 21.626 -14.660 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.608 23.347 -16.871 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.809 24.128 -15.862 1.00 0.00 H new ATOM 0 HE ARG A 111 9.755 21.588 -15.856 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.545 23.621 -18.488 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.575 22.853 -19.701 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.067 20.620 -17.420 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.994 21.164 -19.099 1.00 0.00 H new ATOM 1826 N ILE A 112 5.349 19.324 -14.470 1.00 0.00 N ATOM 1827 CA ILE A 112 5.127 18.322 -13.435 1.00 0.00 C ATOM 1828 C ILE A 112 6.440 17.909 -12.793 1.00 0.00 C ATOM 1829 O ILE A 112 7.486 17.909 -13.440 1.00 0.00 O ATOM 1830 CB ILE A 112 4.455 17.060 -14.001 1.00 0.00 C ATOM 1831 CG1 ILE A 112 3.280 17.431 -14.899 1.00 0.00 C ATOM 1832 CG2 ILE A 112 3.996 16.151 -12.870 1.00 0.00 C ATOM 1833 CD1 ILE A 112 2.658 16.236 -15.586 1.00 0.00 C ATOM 0 H ILE A 112 5.679 18.942 -15.357 1.00 0.00 H new ATOM 0 HA ILE A 112 4.472 18.780 -12.694 1.00 0.00 H new ATOM 0 HB ILE A 112 5.187 16.522 -14.603 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.520 17.936 -14.303 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.617 18.142 -15.654 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.522 15.262 -13.287 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.856 15.856 -12.269 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.280 16.683 -12.243 1.00 0.00 H new ATOM 0 HD11 ILE A 112 1.828 16.567 -16.210 1.00 0.00 H new ATOM 0 HD12 ILE A 112 3.406 15.744 -16.208 1.00 0.00 H new ATOM 0 HD13 ILE A 112 2.291 15.535 -14.836 1.00 0.00 H new ATOM 1845 N ILE A 113 6.377 17.549 -11.521 1.00 0.00 N ATOM 1846 CA ILE A 113 7.563 17.129 -10.794 1.00 0.00 C ATOM 1847 C ILE A 113 7.243 15.966 -9.859 1.00 0.00 C ATOM 1848 O ILE A 113 6.142 15.883 -9.317 1.00 0.00 O ATOM 1849 CB ILE A 113 8.150 18.301 -9.980 1.00 0.00 C ATOM 1850 CG1 ILE A 113 8.449 19.485 -10.902 1.00 0.00 C ATOM 1851 CG2 ILE A 113 9.409 17.872 -9.235 1.00 0.00 C ATOM 1852 CD1 ILE A 113 9.569 19.220 -11.886 1.00 0.00 C ATOM 0 H ILE A 113 5.518 17.539 -10.971 1.00 0.00 H new ATOM 0 HA ILE A 113 8.301 16.801 -11.526 1.00 0.00 H new ATOM 0 HB ILE A 113 7.411 18.609 -9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.545 19.742 -11.454 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.708 20.352 -10.294 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.803 18.716 -8.669 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.168 17.058 -8.551 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.158 17.534 -9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.725 20.103 -12.506 1.00 0.00 H new ATOM 0 HD12 ILE A 113 10.485 18.993 -11.342 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.304 18.374 -12.520 1.00 0.00 H new ATOM 1864 N ARG A 114 8.217 15.077 -9.673 1.00 0.00 N ATOM 1865 CA ARG A 114 8.048 13.924 -8.794 1.00 0.00 C ATOM 1866 C ARG A 114 9.355 13.602 -8.072 1.00 0.00 C ATOM 1867 O ARG A 114 10.405 13.470 -8.702 1.00 0.00 O ATOM 1868 CB ARG A 114 7.564 12.693 -9.573 1.00 0.00 C ATOM 1869 CG ARG A 114 6.492 11.902 -8.835 1.00 0.00 C ATOM 1870 CD ARG A 114 5.755 10.927 -9.739 1.00 0.00 C ATOM 1871 NE ARG A 114 5.356 11.534 -11.008 1.00 0.00 N ATOM 1872 CZ ARG A 114 5.627 11.008 -12.202 1.00 0.00 C ATOM 1873 NH1 ARG A 114 6.311 9.874 -12.301 1.00 0.00 N ATOM 1874 NH2 ARG A 114 5.207 11.616 -13.304 1.00 0.00 N ATOM 0 H ARG A 114 9.132 15.134 -10.120 1.00 0.00 H new ATOM 0 HA ARG A 114 7.288 14.182 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.171 13.013 -10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 114 8.414 12.041 -9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.952 11.353 -8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.775 12.594 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.393 10.066 -9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.870 10.556 -9.223 1.00 0.00 H new ATOM 0 HE ARG A 114 4.839 12.413 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.634 9.398 -11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.514 9.479 -13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.677 12.485 -13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.414 11.214 -14.218 1.00 0.00 H new ATOM 1888 N GLU A 115 9.288 13.482 -6.749 1.00 0.00 N ATOM 1889 CA GLU A 115 10.474 13.183 -5.953 1.00 0.00 C ATOM 1890 C GLU A 115 10.238 11.999 -5.020 1.00 0.00 C ATOM 1891 O GLU A 115 9.169 11.866 -4.425 1.00 0.00 O ATOM 1892 CB GLU A 115 10.891 14.408 -5.139 1.00 0.00 C ATOM 1893 CG GLU A 115 12.273 14.280 -4.519 1.00 0.00 C ATOM 1894 CD GLU A 115 13.137 15.503 -4.753 1.00 0.00 C ATOM 1895 OE1 GLU A 115 13.220 15.959 -5.913 1.00 0.00 O ATOM 1896 OE2 GLU A 115 13.732 16.006 -3.776 1.00 0.00 O ATOM 0 H GLU A 115 8.430 13.587 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 115 11.275 12.918 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.870 15.287 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.160 14.575 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.171 14.112 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.772 13.404 -4.933 1.00 0.00 H new ATOM 1903 N GLY A 116 11.251 11.147 -4.896 1.00 0.00 N ATOM 1904 CA GLY A 116 11.148 9.987 -4.032 1.00 0.00 C ATOM 1905 C GLY A 116 10.707 8.740 -4.775 1.00 0.00 C ATOM 1906 O GLY A 116 10.102 7.843 -4.186 1.00 0.00 O ATOM 0 H GLY A 116 12.144 11.241 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.114 9.802 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.439 10.197 -3.231 1.00 0.00 H new ATOM 1910 N ARG A 117 11.008 8.680 -6.070 1.00 0.00 N ATOM 1911 CA ARG A 117 10.637 7.529 -6.889 1.00 0.00 C ATOM 1912 C ARG A 117 9.155 7.199 -6.729 1.00 0.00 C ATOM 1913 O ARG A 117 8.791 6.207 -6.096 1.00 0.00 O ATOM 1914 CB ARG A 117 11.502 6.315 -6.531 1.00 0.00 C ATOM 1915 CG ARG A 117 12.508 5.938 -7.613 1.00 0.00 C ATOM 1916 CD ARG A 117 13.463 7.083 -7.926 1.00 0.00 C ATOM 1917 NE ARG A 117 12.828 8.123 -8.732 1.00 0.00 N ATOM 1918 CZ ARG A 117 13.176 9.407 -8.694 1.00 0.00 C ATOM 1919 NH1 ARG A 117 14.233 9.797 -7.991 1.00 0.00 N ATOM 1920 NH2 ARG A 117 12.478 10.302 -9.382 1.00 0.00 N ATOM 0 H ARG A 117 11.507 9.413 -6.574 1.00 0.00 H new ATOM 0 HA ARG A 117 10.814 7.785 -7.934 1.00 0.00 H new ATOM 0 HB2 ARG A 117 12.038 6.523 -5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.852 5.461 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 117 13.079 5.067 -7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 117 11.975 5.652 -8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 117 13.825 7.517 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 117 14.333 6.695 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 117 12.073 7.849 -9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 117 14.784 9.111 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 117 14.494 10.783 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.676 10.005 -9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.743 11.287 -9.354 1.00 0.00 H new ATOM 1934 N ILE A 118 8.305 8.045 -7.305 1.00 0.00 N ATOM 1935 CA ILE A 118 6.862 7.857 -7.226 1.00 0.00 C ATOM 1936 C ILE A 118 6.375 8.022 -5.790 1.00 0.00 C ATOM 1937 O ILE A 118 5.636 7.188 -5.268 1.00 0.00 O ATOM 1938 CB ILE A 118 6.444 6.470 -7.760 1.00 0.00 C ATOM 1939 CG1 ILE A 118 7.110 6.200 -9.110 1.00 0.00 C ATOM 1940 CG2 ILE A 118 4.929 6.378 -7.888 1.00 0.00 C ATOM 1941 CD1 ILE A 118 6.939 4.778 -9.595 1.00 0.00 C ATOM 0 H ILE A 118 8.593 8.869 -7.833 1.00 0.00 H new ATOM 0 HA ILE A 118 6.400 8.621 -7.851 1.00 0.00 H new ATOM 0 HB ILE A 118 6.774 5.713 -7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.695 6.881 -9.853 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.174 6.423 -9.032 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.655 5.393 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 118 4.471 6.532 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.575 7.143 -8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.437 4.660 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.379 4.092 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.878 4.557 -9.706 1.00 0.00 H new ATOM 1953 N SER A 119 6.802 9.108 -5.154 1.00 0.00 N ATOM 1954 CA SER A 119 6.415 9.388 -3.777 1.00 0.00 C ATOM 1955 C SER A 119 5.702 10.732 -3.671 1.00 0.00 C ATOM 1956 O SER A 119 4.635 10.834 -3.066 1.00 0.00 O ATOM 1957 CB SER A 119 7.646 9.380 -2.869 1.00 0.00 C ATOM 1958 OG SER A 119 8.103 8.058 -2.642 1.00 0.00 O ATOM 0 H SER A 119 7.416 9.808 -5.570 1.00 0.00 H new ATOM 0 HA SER A 119 5.726 8.607 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.441 9.970 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.403 9.853 -1.917 1.00 0.00 H new ATOM 0 HG SER A 119 9.043 7.986 -2.909 1.00 0.00 H new ATOM 1964 N LEU A 120 6.303 11.762 -4.260 1.00 0.00 N ATOM 1965 CA LEU A 120 5.732 13.104 -4.228 1.00 0.00 C ATOM 1966 C LEU A 120 5.607 13.677 -5.631 1.00 0.00 C ATOM 1967 O LEU A 120 6.348 13.291 -6.527 1.00 0.00 O ATOM 1968 CB LEU A 120 6.612 14.030 -3.392 1.00 0.00 C ATOM 1969 CG LEU A 120 6.411 13.961 -1.878 1.00 0.00 C ATOM 1970 CD1 LEU A 120 4.934 14.022 -1.516 1.00 0.00 C ATOM 1971 CD2 LEU A 120 7.056 12.707 -1.309 1.00 0.00 C ATOM 0 H LEU A 120 7.186 11.692 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 120 4.739 13.033 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.655 13.802 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.435 15.056 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 120 6.898 14.829 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.822 13.971 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.508 14.957 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.412 13.182 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.902 12.676 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.604 11.826 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.125 12.718 -1.523 1.00 0.00 H new ATOM 1983 N LEU A 121 4.671 14.609 -5.812 1.00 0.00 N ATOM 1984 CA LEU A 121 4.470 15.238 -7.113 1.00 0.00 C ATOM 1985 C LEU A 121 3.495 16.405 -7.033 1.00 0.00 C ATOM 1986 O LEU A 121 2.672 16.479 -6.121 1.00 0.00 O ATOM 1987 CB LEU A 121 3.958 14.221 -8.130 1.00 0.00 C ATOM 1988 CG LEU A 121 2.666 13.507 -7.743 1.00 0.00 C ATOM 1989 CD1 LEU A 121 1.826 13.235 -8.975 1.00 0.00 C ATOM 1990 CD2 LEU A 121 2.963 12.208 -7.008 1.00 0.00 C ATOM 0 H LEU A 121 4.045 14.942 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 121 5.439 15.621 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 121 3.802 14.730 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.733 13.472 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 121 2.105 14.157 -7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.908 12.725 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.579 14.178 -9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.387 12.606 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.026 11.718 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.547 11.551 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.529 12.424 -6.102 1.00 0.00 H new ATOM 2002 N LYS A 122 3.589 17.309 -8.007 1.00 0.00 N ATOM 2003 CA LYS A 122 2.706 18.471 -8.059 1.00 0.00 C ATOM 2004 C LYS A 122 1.848 18.458 -9.323 1.00 0.00 C ATOM 2005 O LYS A 122 2.300 18.036 -10.389 1.00 0.00 O ATOM 2006 CB LYS A 122 3.507 19.767 -7.984 1.00 0.00 C ATOM 2007 CG LYS A 122 2.754 20.879 -7.274 1.00 0.00 C ATOM 2008 CD LYS A 122 3.701 21.878 -6.635 1.00 0.00 C ATOM 2009 CE LYS A 122 4.176 22.910 -7.642 1.00 0.00 C ATOM 2010 NZ LYS A 122 5.446 22.500 -8.298 1.00 0.00 N ATOM 0 H LYS A 122 4.266 17.259 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 122 2.044 18.418 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.446 19.580 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.761 20.092 -8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.108 21.393 -7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.107 20.450 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.200 22.379 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.560 21.352 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.407 23.058 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.319 23.867 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.746 23.239 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.182 22.366 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.299 21.608 -8.812 1.00 0.00 H new ATOM 2024 N CYS A 123 0.607 18.928 -9.195 1.00 0.00 N ATOM 2025 CA CYS A 123 -0.320 18.979 -10.326 1.00 0.00 C ATOM 2026 C CYS A 123 -1.069 20.305 -10.353 1.00 0.00 C ATOM 2027 O CYS A 123 -2.301 20.337 -10.362 1.00 0.00 O ATOM 2028 CB CYS A 123 -1.326 17.826 -10.260 1.00 0.00 C ATOM 2029 SG CYS A 123 -0.647 16.227 -10.755 1.00 0.00 S ATOM 0 H CYS A 123 0.220 19.279 -8.319 1.00 0.00 H new ATOM 0 HA CYS A 123 0.269 18.884 -11.238 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -1.707 17.748 -9.242 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -2.176 18.062 -10.901 1.00 0.00 H new ATOM 0 HG CYS A 123 -1.615 15.372 -10.905 1.00 0.00 H new ATOM 2034 N GLU A 124 -0.321 21.400 -10.370 1.00 0.00 N ATOM 2035 CA GLU A 124 -0.916 22.729 -10.400 1.00 0.00 C ATOM 2036 C GLU A 124 -1.857 22.876 -11.593 1.00 0.00 C ATOM 2037 O GLU A 124 -2.809 23.654 -11.555 1.00 0.00 O ATOM 2038 CB GLU A 124 0.180 23.792 -10.474 1.00 0.00 C ATOM 2039 CG GLU A 124 -0.305 25.190 -10.135 1.00 0.00 C ATOM 2040 CD GLU A 124 0.751 26.245 -10.392 1.00 0.00 C ATOM 2041 OE1 GLU A 124 1.613 26.448 -9.510 1.00 0.00 O ATOM 2042 OE2 GLU A 124 0.718 26.868 -11.473 1.00 0.00 O ATOM 0 H GLU A 124 0.699 21.394 -10.364 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.492 22.866 -9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.985 23.520 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.603 23.797 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.193 25.417 -10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.602 25.225 -9.087 1.00 0.00 H new ATOM 2049 N ALA A 125 -1.574 22.127 -12.652 1.00 0.00 N ATOM 2050 CA ALA A 125 -2.382 22.173 -13.862 1.00 0.00 C ATOM 2051 C ALA A 125 -3.753 21.544 -13.649 1.00 0.00 C ATOM 2052 O ALA A 125 -4.761 22.245 -13.560 1.00 0.00 O ATOM 2053 CB ALA A 125 -1.654 21.471 -14.991 1.00 0.00 C ATOM 0 H ALA A 125 -0.788 21.479 -12.696 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.538 23.220 -14.123 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.262 21.508 -15.895 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -0.701 21.968 -15.174 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.474 20.431 -14.717 1.00 0.00 H new ATOM 2059 N CYS A 126 -3.787 20.218 -13.565 1.00 0.00 N ATOM 2060 CA CYS A 126 -5.038 19.500 -13.359 1.00 0.00 C ATOM 2061 C CYS A 126 -5.452 19.559 -11.892 1.00 0.00 C ATOM 2062 O CYS A 126 -5.806 18.542 -11.293 1.00 0.00 O ATOM 2063 CB CYS A 126 -4.894 18.044 -13.810 1.00 0.00 C ATOM 2064 SG CYS A 126 -3.578 17.137 -12.967 1.00 0.00 S ATOM 0 H CYS A 126 -2.964 19.620 -13.636 1.00 0.00 H new ATOM 0 HA CYS A 126 -5.814 19.978 -13.958 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -5.840 17.528 -13.644 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.704 18.024 -14.883 1.00 0.00 H new ATOM 0 HG CYS A 126 -4.051 16.019 -12.501 1.00 0.00 H new ATOM 2069 N GLY A 127 -5.400 20.758 -11.317 1.00 0.00 N ATOM 2070 CA GLY A 127 -5.765 20.932 -9.927 1.00 0.00 C ATOM 2071 C GLY A 127 -4.564 21.188 -9.038 1.00 0.00 C ATOM 2072 O GLY A 127 -3.885 22.206 -9.173 1.00 0.00 O ATOM 0 H GLY A 127 -5.110 21.612 -11.793 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -6.462 21.766 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -6.288 20.042 -9.578 1.00 0.00 H new ATOM 2076 N ALA A 128 -4.303 20.261 -8.125 1.00 0.00 N ATOM 2077 CA ALA A 128 -3.182 20.383 -7.204 1.00 0.00 C ATOM 2078 C ALA A 128 -2.689 19.012 -6.759 1.00 0.00 C ATOM 2079 O ALA A 128 -3.446 18.042 -6.744 1.00 0.00 O ATOM 2080 CB ALA A 128 -3.573 21.228 -6.000 1.00 0.00 C ATOM 0 H ALA A 128 -4.856 19.413 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.365 20.881 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.724 21.309 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.867 22.223 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.408 20.758 -5.481 1.00 0.00 H new ATOM 2086 N LYS A 129 -1.413 18.939 -6.403 1.00 0.00 N ATOM 2087 CA LYS A 129 -0.804 17.690 -5.959 1.00 0.00 C ATOM 2088 C LYS A 129 0.186 17.953 -4.834 1.00 0.00 C ATOM 2089 O LYS A 129 0.723 19.051 -4.721 1.00 0.00 O ATOM 2090 CB LYS A 129 -0.097 17.001 -7.121 1.00 0.00 C ATOM 2091 CG LYS A 129 -0.049 15.490 -7.006 1.00 0.00 C ATOM 2092 CD LYS A 129 -1.227 14.839 -7.705 1.00 0.00 C ATOM 2093 CE LYS A 129 -2.338 14.501 -6.727 1.00 0.00 C ATOM 2094 NZ LYS A 129 -3.673 14.882 -7.262 1.00 0.00 N ATOM 0 H LYS A 129 -0.775 19.735 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 129 -1.593 17.036 -5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -0.601 17.268 -8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 129 0.922 17.382 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.881 15.121 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.046 15.205 -5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -1.610 15.509 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.896 13.931 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -2.323 13.432 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -2.163 15.018 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -4.416 14.392 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -3.802 15.910 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -3.736 14.610 -8.264 1.00 0.00 H new ATOM 2108 N ALA A 130 0.410 16.947 -3.997 1.00 0.00 N ATOM 2109 CA ALA A 130 1.330 17.072 -2.871 1.00 0.00 C ATOM 2110 C ALA A 130 2.781 16.806 -3.287 1.00 0.00 C ATOM 2111 O ALA A 130 3.200 15.653 -3.387 1.00 0.00 O ATOM 2112 CB ALA A 130 0.918 16.114 -1.763 1.00 0.00 C ATOM 0 H ALA A 130 -0.034 16.032 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 130 1.277 18.098 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.607 16.210 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.092 16.354 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.944 15.091 -2.138 1.00 0.00 H new ATOM 2118 N PRO A 131 3.576 17.871 -3.530 1.00 0.00 N ATOM 2119 CA PRO A 131 4.986 17.736 -3.927 1.00 0.00 C ATOM 2120 C PRO A 131 5.884 17.297 -2.772 1.00 0.00 C ATOM 2121 O PRO A 131 7.039 16.925 -2.979 1.00 0.00 O ATOM 2122 CB PRO A 131 5.359 19.148 -4.371 1.00 0.00 C ATOM 2123 CG PRO A 131 4.476 20.029 -3.560 1.00 0.00 C ATOM 2124 CD PRO A 131 3.173 19.288 -3.435 1.00 0.00 C ATOM 0 HA PRO A 131 5.118 16.974 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.412 19.359 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.190 19.288 -5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 131 4.911 20.226 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.333 20.995 -4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 131 2.678 19.502 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 131 2.477 19.562 -4.228 1.00 0.00 H new