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 102 CYS SG : rot -32:sc= -0.727 USER MOD Set 1.2: A 105 CYS SG : rot 76:sc= 0.394 USER MOD Set 1.3: A 123 CYS SG : rot -158:sc= 0.334 USER MOD Set 1.4: A 126 CYS SG : rot 68:sc= -0.56 USER MOD Set 2.1: A 32 SER OG : rot 170:sc= -0.0751 USER MOD Set 2.2: A 39 THR OG1 : rot 146:sc= 0.901 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.28! K(o=-2.3!,f=-0.11) USER MOD Single : A 37 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.3) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.0018) USER MOD Single : A 52 ASN : amide:sc= -2.05! C(o=-2!,f=-2.2!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 60 LYS NZ :NH3+ 135:sc= -0.745 (180deg=-3.43!) USER MOD Single : A 68 THR OG1 : rot -21:sc= -2.47! USER MOD Single : A 71 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.37) USER MOD Single : A 80 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.023) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -0.171 (180deg=-0.901) USER MOD Single : A 84 THR OG1 : rot 174:sc= -1.17 USER MOD Single : A 85 HIS : no HD1:sc= -4.49 K(o=-4.5,f=-3.5) USER MOD Single : A 89 ASN : amide:sc= -3.31! K(o=-3.3!,f=-1.1) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0755) USER MOD Single : A 103 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.24) USER MOD Single : A 106 ASN : amide:sc= -0.0823 X(o=-0.082,f=-0.43) USER MOD Single : A 110 THR OG1 : rot -130:sc= -0.164 USER MOD Single : A 119 SER OG : rot 109:sc= 0.123 USER MOD Single : A 122 LYS NZ :NH3+ -163:sc= -1.88! (180deg=-2.15!) USER MOD Single : A 129 LYS NZ :NH3+ -156:sc= 0.0197 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -7.996 -2.147 1.322 1.00 0.00 N ATOM 506 CA TYR A 31 -8.698 -1.260 2.238 1.00 0.00 C ATOM 507 C TYR A 31 -8.956 -1.960 3.568 1.00 0.00 C ATOM 508 O TYR A 31 -9.217 -3.164 3.610 1.00 0.00 O ATOM 509 CB TYR A 31 -10.017 -0.770 1.622 1.00 0.00 C ATOM 510 CG TYR A 31 -11.144 -1.776 1.691 1.00 0.00 C ATOM 511 CD1 TYR A 31 -11.243 -2.805 0.764 1.00 0.00 C ATOM 512 CD2 TYR A 31 -12.110 -1.695 2.686 1.00 0.00 C ATOM 513 CE1 TYR A 31 -12.271 -3.725 0.828 1.00 0.00 C ATOM 514 CE2 TYR A 31 -13.142 -2.611 2.757 1.00 0.00 C ATOM 515 CZ TYR A 31 -13.219 -3.624 1.826 1.00 0.00 C ATOM 516 OH TYR A 31 -14.250 -4.536 1.896 1.00 0.00 O ATOM 0 HA TYR A 31 -8.066 -0.391 2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.327 0.142 2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.842 -0.507 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.504 -2.887 -0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -12.053 -0.902 3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.333 -4.520 0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.884 -2.533 3.538 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.827 -4.320 2.658 1.00 0.00 H new ATOM 526 N SER A 32 -8.881 -1.194 4.651 1.00 0.00 N ATOM 527 CA SER A 32 -9.107 -1.729 5.988 1.00 0.00 C ATOM 528 C SER A 32 -10.598 -1.833 6.274 1.00 0.00 C ATOM 529 O SER A 32 -11.425 -1.466 5.440 1.00 0.00 O ATOM 530 CB SER A 32 -8.429 -0.840 7.036 1.00 0.00 C ATOM 531 OG SER A 32 -7.350 -1.513 7.666 1.00 0.00 O ATOM 0 H SER A 32 -8.665 -0.197 4.628 1.00 0.00 H new ATOM 0 HA SER A 32 -8.673 -2.727 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.064 0.071 6.561 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.159 -0.538 7.787 1.00 0.00 H new ATOM 0 HG SER A 32 -6.839 -0.876 8.208 1.00 0.00 H new ATOM 537 N VAL A 33 -10.936 -2.340 7.452 1.00 0.00 N ATOM 538 CA VAL A 33 -12.334 -2.500 7.838 1.00 0.00 C ATOM 539 C VAL A 33 -12.609 -1.853 9.193 1.00 0.00 C ATOM 540 O VAL A 33 -11.932 -2.136 10.180 1.00 0.00 O ATOM 541 CB VAL A 33 -12.767 -3.989 7.887 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.984 -4.217 7.003 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.631 -4.932 7.480 1.00 0.00 C ATOM 0 H VAL A 33 -10.265 -2.647 8.156 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.921 -1.999 7.068 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.027 -4.217 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.275 -5.266 7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.809 -3.596 7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.741 -3.952 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.979 -5.964 7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.316 -4.703 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.788 -4.801 8.159 1.00 0.00 H new ATOM 553 N ILE A 34 -13.607 -0.978 9.227 1.00 0.00 N ATOM 554 CA ILE A 34 -13.974 -0.283 10.447 1.00 0.00 C ATOM 555 C ILE A 34 -14.669 -1.207 11.432 1.00 0.00 C ATOM 556 O ILE A 34 -15.521 -2.010 11.053 1.00 0.00 O ATOM 557 CB ILE A 34 -14.899 0.913 10.145 1.00 0.00 C ATOM 558 CG1 ILE A 34 -15.197 1.706 11.422 1.00 0.00 C ATOM 559 CG2 ILE A 34 -16.192 0.441 9.494 1.00 0.00 C ATOM 560 CD1 ILE A 34 -13.963 2.112 12.202 1.00 0.00 C ATOM 0 H ILE A 34 -14.177 -0.735 8.417 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.047 0.076 10.894 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.384 1.573 9.447 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.757 2.603 11.157 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.840 1.107 12.067 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.831 1.300 9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.963 -0.072 8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.709 -0.243 10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.261 2.669 13.090 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.412 1.220 12.500 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -13.328 2.739 11.577 1.00 0.00 H new ATOM 572 N GLN A 35 -14.314 -1.077 12.703 1.00 0.00 N ATOM 573 CA GLN A 35 -14.927 -1.891 13.737 1.00 0.00 C ATOM 574 C GLN A 35 -14.852 -1.196 15.096 1.00 0.00 C ATOM 575 O GLN A 35 -13.845 -1.287 15.791 1.00 0.00 O ATOM 576 CB GLN A 35 -14.263 -3.269 13.805 1.00 0.00 C ATOM 577 CG GLN A 35 -15.117 -4.380 13.214 1.00 0.00 C ATOM 578 CD GLN A 35 -16.201 -4.839 14.172 1.00 0.00 C ATOM 579 OE1 GLN A 35 -16.193 -5.980 14.634 1.00 0.00 O ATOM 580 NE2 GLN A 35 -17.145 -3.954 14.475 1.00 0.00 N ATOM 0 H GLN A 35 -13.610 -0.420 13.039 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.978 -2.025 13.480 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.311 -3.232 13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.040 -3.506 14.845 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.576 -4.031 12.289 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.481 -5.226 12.955 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.115 -3.018 14.071 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.899 -4.211 15.112 1.00 0.00 H new ATOM 589 N GLY A 36 -15.925 -0.499 15.466 1.00 0.00 N ATOM 590 CA GLY A 36 -15.949 0.200 16.740 1.00 0.00 C ATOM 591 C GLY A 36 -14.896 1.288 16.820 1.00 0.00 C ATOM 592 O GLY A 36 -15.204 2.469 16.669 1.00 0.00 O ATOM 0 H GLY A 36 -16.774 -0.406 14.909 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.935 0.640 16.892 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.791 -0.515 17.547 1.00 0.00 H new ATOM 596 N ASN A 37 -13.650 0.892 17.057 1.00 0.00 N ATOM 597 CA ASN A 37 -12.553 1.847 17.151 1.00 0.00 C ATOM 598 C ASN A 37 -11.223 1.191 16.792 1.00 0.00 C ATOM 599 O ASN A 37 -10.172 1.589 17.293 1.00 0.00 O ATOM 600 CB ASN A 37 -12.485 2.435 18.560 1.00 0.00 C ATOM 601 CG ASN A 37 -11.990 3.868 18.572 1.00 0.00 C ATOM 602 OD1 ASN A 37 -12.320 4.661 17.690 1.00 0.00 O ATOM 603 ND2 ASN A 37 -11.191 4.206 19.576 1.00 0.00 N ATOM 0 H ASN A 37 -13.375 -0.082 17.187 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.740 2.650 16.438 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.475 2.393 19.015 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.825 1.822 19.174 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.824 5.156 19.639 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.943 3.516 20.285 1.00 0.00 H new ATOM 610 N ARG A 38 -11.274 0.185 15.917 1.00 0.00 N ATOM 611 CA ARG A 38 -10.067 -0.520 15.488 1.00 0.00 C ATOM 612 C ARG A 38 -10.091 -0.791 13.990 1.00 0.00 C ATOM 613 O ARG A 38 -11.158 -0.882 13.384 1.00 0.00 O ATOM 614 CB ARG A 38 -9.909 -1.850 16.236 1.00 0.00 C ATOM 615 CG ARG A 38 -11.223 -2.534 16.575 1.00 0.00 C ATOM 616 CD ARG A 38 -11.720 -2.126 17.952 1.00 0.00 C ATOM 617 NE ARG A 38 -13.160 -2.322 18.097 1.00 0.00 N ATOM 618 CZ ARG A 38 -13.867 -1.867 19.130 1.00 0.00 C ATOM 619 NH1 ARG A 38 -13.269 -1.202 20.110 1.00 0.00 N ATOM 620 NH2 ARG A 38 -15.177 -2.071 19.178 1.00 0.00 N ATOM 0 H ARG A 38 -12.136 -0.158 15.493 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.220 0.126 15.721 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.306 -2.526 15.629 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.357 -1.672 17.159 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.972 -2.279 15.826 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.092 -3.616 16.539 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.197 -2.706 18.712 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.478 -1.078 18.129 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.652 -2.836 17.366 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.263 -1.037 20.075 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.815 -0.856 20.899 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.642 -2.576 18.424 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.719 -1.723 19.969 1.00 0.00 H new ATOM 634 N THR A 39 -8.909 -0.939 13.400 1.00 0.00 N ATOM 635 CA THR A 39 -8.801 -1.222 11.977 1.00 0.00 C ATOM 636 C THR A 39 -8.388 -2.675 11.771 1.00 0.00 C ATOM 637 O THR A 39 -7.411 -3.143 12.352 1.00 0.00 O ATOM 638 CB THR A 39 -7.807 -0.252 11.314 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.347 0.268 10.111 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.453 -0.857 10.980 1.00 0.00 C ATOM 0 H THR A 39 -8.015 -0.867 13.886 1.00 0.00 H new ATOM 0 HA THR A 39 -9.771 -1.074 11.502 1.00 0.00 H new ATOM 0 HB THR A 39 -7.647 0.524 12.062 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.043 1.192 9.989 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.820 -0.100 10.517 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.979 -1.216 11.894 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.587 -1.690 10.290 1.00 0.00 H new ATOM 648 N PHE A 40 -9.153 -3.397 10.971 1.00 0.00 N ATOM 649 CA PHE A 40 -8.870 -4.802 10.720 1.00 0.00 C ATOM 650 C PHE A 40 -8.104 -4.981 9.415 1.00 0.00 C ATOM 651 O PHE A 40 -8.690 -5.321 8.386 1.00 0.00 O ATOM 652 CB PHE A 40 -10.175 -5.587 10.667 1.00 0.00 C ATOM 653 CG PHE A 40 -10.830 -5.760 12.006 1.00 0.00 C ATOM 654 CD1 PHE A 40 -11.059 -4.671 12.833 1.00 0.00 C ATOM 655 CD2 PHE A 40 -11.225 -7.015 12.433 1.00 0.00 C ATOM 656 CE1 PHE A 40 -11.668 -4.835 14.062 1.00 0.00 C ATOM 657 CE2 PHE A 40 -11.836 -7.184 13.660 1.00 0.00 C ATOM 658 CZ PHE A 40 -12.059 -6.092 14.476 1.00 0.00 C ATOM 0 H PHE A 40 -9.974 -3.036 10.484 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.250 -5.179 11.533 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.868 -5.078 9.997 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.980 -6.570 10.238 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.758 -3.684 12.513 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.054 -7.873 11.799 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.838 -3.979 14.699 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.139 -8.169 13.981 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.538 -6.222 15.435 1.00 0.00 H new ATOM 668 N ILE A 41 -6.795 -4.753 9.456 1.00 0.00 N ATOM 669 CA ILE A 41 -5.962 -4.891 8.267 1.00 0.00 C ATOM 670 C ILE A 41 -5.923 -6.338 7.786 1.00 0.00 C ATOM 671 O ILE A 41 -5.512 -7.236 8.516 1.00 0.00 O ATOM 672 CB ILE A 41 -4.526 -4.380 8.535 1.00 0.00 C ATOM 673 CG1 ILE A 41 -4.263 -3.084 7.760 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.486 -5.433 8.174 1.00 0.00 C ATOM 675 CD1 ILE A 41 -3.628 -1.985 8.593 1.00 0.00 C ATOM 0 H ILE A 41 -6.290 -4.473 10.297 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.408 -4.280 7.482 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.440 -4.175 9.602 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.614 -3.305 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.206 -2.719 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.488 -5.042 8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.652 -6.329 8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.573 -5.682 7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.474 -1.102 7.973 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.285 -1.734 9.426 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.668 -2.329 8.979 1.00 0.00 H new ATOM 687 N GLN A 42 -6.352 -6.553 6.552 1.00 0.00 N ATOM 688 CA GLN A 42 -6.365 -7.887 5.975 1.00 0.00 C ATOM 689 C GLN A 42 -5.208 -8.068 4.995 1.00 0.00 C ATOM 690 O GLN A 42 -4.543 -9.106 4.985 1.00 0.00 O ATOM 691 CB GLN A 42 -7.701 -8.132 5.271 1.00 0.00 C ATOM 692 CG GLN A 42 -8.377 -9.428 5.678 1.00 0.00 C ATOM 693 CD GLN A 42 -9.573 -9.760 4.809 1.00 0.00 C ATOM 694 OE1 GLN A 42 -9.433 -10.335 3.730 1.00 0.00 O ATOM 695 NE2 GLN A 42 -10.759 -9.395 5.281 1.00 0.00 N ATOM 0 H GLN A 42 -6.696 -5.820 5.931 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.244 -8.615 6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.372 -7.300 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.537 -8.141 4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.655 -10.243 5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.697 -9.356 6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.825 -8.920 6.181 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.604 -9.589 4.743 1.00 0.00 H new ATOM 704 N ASN A 43 -4.972 -7.047 4.176 1.00 0.00 N ATOM 705 CA ASN A 43 -3.894 -7.082 3.193 1.00 0.00 C ATOM 706 C ASN A 43 -2.788 -6.107 3.575 1.00 0.00 C ATOM 707 O ASN A 43 -2.406 -5.242 2.791 1.00 0.00 O ATOM 708 CB ASN A 43 -4.431 -6.766 1.795 1.00 0.00 C ATOM 709 CG ASN A 43 -5.749 -7.465 1.504 1.00 0.00 C ATOM 710 OD1 ASN A 43 -6.630 -6.903 0.852 1.00 0.00 O ATOM 711 ND2 ASN A 43 -5.891 -8.698 1.986 1.00 0.00 N ATOM 0 H ASN A 43 -5.514 -6.183 4.174 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.474 -8.088 3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.566 -5.689 1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.693 -7.065 1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.755 -9.214 1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.136 -9.126 2.521 1.00 0.00 H new ATOM 718 N PHE A 44 -2.281 -6.252 4.793 1.00 0.00 N ATOM 719 CA PHE A 44 -1.221 -5.381 5.298 1.00 0.00 C ATOM 720 C PHE A 44 -0.120 -5.197 4.265 1.00 0.00 C ATOM 721 O PHE A 44 0.414 -4.107 4.112 1.00 0.00 O ATOM 722 CB PHE A 44 -0.610 -5.947 6.586 1.00 0.00 C ATOM 723 CG PHE A 44 -0.558 -7.448 6.638 1.00 0.00 C ATOM 724 CD1 PHE A 44 -1.633 -8.174 7.123 1.00 0.00 C ATOM 725 CD2 PHE A 44 0.566 -8.131 6.202 1.00 0.00 C ATOM 726 CE1 PHE A 44 -1.590 -9.554 7.173 1.00 0.00 C ATOM 727 CE2 PHE A 44 0.616 -9.512 6.250 1.00 0.00 C ATOM 728 CZ PHE A 44 -0.465 -10.223 6.735 1.00 0.00 C ATOM 0 H PHE A 44 -2.587 -6.967 5.453 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.676 -4.414 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.401 -5.556 6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.187 -5.585 7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.516 -7.655 7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.412 -7.579 5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.435 -10.108 7.554 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.498 -10.034 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.430 -11.302 6.771 1.00 0.00 H new ATOM 738 N ARG A 45 0.225 -6.270 3.575 1.00 0.00 N ATOM 739 CA ARG A 45 1.277 -6.221 2.569 1.00 0.00 C ATOM 740 C ARG A 45 0.862 -5.386 1.358 1.00 0.00 C ATOM 741 O ARG A 45 1.570 -4.464 0.950 1.00 0.00 O ATOM 742 CB ARG A 45 1.632 -7.637 2.128 1.00 0.00 C ATOM 743 CG ARG A 45 3.109 -7.833 1.838 1.00 0.00 C ATOM 744 CD ARG A 45 3.668 -9.039 2.577 1.00 0.00 C ATOM 745 NE ARG A 45 5.093 -9.229 2.316 1.00 0.00 N ATOM 746 CZ ARG A 45 5.759 -10.341 2.617 1.00 0.00 C ATOM 747 NH1 ARG A 45 5.133 -11.362 3.189 1.00 0.00 N ATOM 748 NH2 ARG A 45 7.054 -10.433 2.346 1.00 0.00 N ATOM 0 H ARG A 45 -0.207 -7.187 3.691 1.00 0.00 H new ATOM 0 HA ARG A 45 2.149 -5.744 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.327 -8.337 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.059 -7.884 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.256 -7.962 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.660 -6.939 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.509 -8.913 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.122 -9.933 2.277 1.00 0.00 H new ATOM 0 HE ARG A 45 5.607 -8.465 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.137 -11.296 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.648 -12.212 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.540 -9.651 1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.564 -11.286 2.577 1.00 0.00 H new ATOM 762 N GLU A 46 -0.295 -5.710 0.797 1.00 0.00 N ATOM 763 CA GLU A 46 -0.810 -4.991 -0.365 1.00 0.00 C ATOM 764 C GLU A 46 -1.264 -3.588 0.020 1.00 0.00 C ATOM 765 O GLU A 46 -0.808 -2.595 -0.554 1.00 0.00 O ATOM 766 CB GLU A 46 -1.961 -5.766 -0.998 1.00 0.00 C ATOM 767 CG GLU A 46 -1.964 -5.705 -2.516 1.00 0.00 C ATOM 768 CD GLU A 46 -1.881 -7.077 -3.156 1.00 0.00 C ATOM 769 OE1 GLU A 46 -1.102 -7.917 -2.658 1.00 0.00 O ATOM 770 OE2 GLU A 46 -2.594 -7.311 -4.153 1.00 0.00 O ATOM 0 H GLU A 46 -0.896 -6.465 1.126 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.005 -4.899 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.905 -6.808 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.905 -5.371 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.872 -5.205 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.123 -5.100 -2.853 1.00 0.00 H new ATOM 777 N VAL A 47 -2.159 -3.509 0.998 1.00 0.00 N ATOM 778 CA VAL A 47 -2.670 -2.228 1.464 1.00 0.00 C ATOM 779 C VAL A 47 -1.524 -1.285 1.826 1.00 0.00 C ATOM 780 O VAL A 47 -1.625 -0.073 1.634 1.00 0.00 O ATOM 781 CB VAL A 47 -3.598 -2.397 2.689 1.00 0.00 C ATOM 782 CG1 VAL A 47 -4.118 -1.053 3.168 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.761 -3.308 2.344 1.00 0.00 C ATOM 0 H VAL A 47 -2.545 -4.319 1.483 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.248 -1.799 0.646 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.017 -2.847 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.768 -1.201 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.279 -0.418 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.681 -0.574 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.407 -3.419 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.331 -2.875 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.382 -4.286 2.047 1.00 0.00 H new ATOM 793 N ALA A 48 -0.435 -1.845 2.352 1.00 0.00 N ATOM 794 CA ALA A 48 0.718 -1.042 2.741 1.00 0.00 C ATOM 795 C ALA A 48 1.359 -0.377 1.537 1.00 0.00 C ATOM 796 O ALA A 48 1.533 0.836 1.505 1.00 0.00 O ATOM 797 CB ALA A 48 1.744 -1.885 3.480 1.00 0.00 C ATOM 0 H ALA A 48 -0.329 -2.846 2.517 1.00 0.00 H new ATOM 0 HA ALA A 48 0.359 -0.262 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.594 -1.262 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.291 -2.304 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.084 -2.694 2.833 1.00 0.00 H new ATOM 803 N ASP A 49 1.725 -1.182 0.549 1.00 0.00 N ATOM 804 CA ASP A 49 2.362 -0.661 -0.652 1.00 0.00 C ATOM 805 C ASP A 49 1.569 0.521 -1.207 1.00 0.00 C ATOM 806 O ASP A 49 2.059 1.651 -1.236 1.00 0.00 O ATOM 807 CB ASP A 49 2.489 -1.771 -1.702 1.00 0.00 C ATOM 808 CG ASP A 49 3.928 -2.027 -2.118 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.833 -1.324 -1.622 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.151 -2.941 -2.944 1.00 0.00 O ATOM 0 H ASP A 49 1.593 -2.193 0.555 1.00 0.00 H new ATOM 0 HA ASP A 49 3.361 -0.309 -0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.061 -2.691 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.904 -1.502 -2.581 1.00 0.00 H new ATOM 815 N ALA A 50 0.350 0.263 -1.656 1.00 0.00 N ATOM 816 CA ALA A 50 -0.487 1.317 -2.215 1.00 0.00 C ATOM 817 C ALA A 50 -0.542 2.556 -1.310 1.00 0.00 C ATOM 818 O ALA A 50 -0.309 3.669 -1.769 1.00 0.00 O ATOM 819 CB ALA A 50 -1.878 0.784 -2.503 1.00 0.00 C ATOM 0 H ALA A 50 -0.081 -0.661 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.034 1.637 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.494 1.581 -2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.813 -0.036 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.328 0.424 -1.578 1.00 0.00 H new ATOM 825 N LEU A 51 -0.857 2.363 -0.030 1.00 0.00 N ATOM 826 CA LEU A 51 -0.940 3.479 0.902 1.00 0.00 C ATOM 827 C LEU A 51 0.439 4.108 1.094 1.00 0.00 C ATOM 828 O LEU A 51 0.561 5.231 1.578 1.00 0.00 O ATOM 829 CB LEU A 51 -1.518 3.010 2.249 1.00 0.00 C ATOM 830 CG LEU A 51 -1.066 3.815 3.479 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.380 5.290 3.298 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.721 3.289 4.748 1.00 0.00 C ATOM 0 H LEU A 51 -1.057 1.451 0.380 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.609 4.234 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.606 3.048 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.243 1.966 2.399 1.00 0.00 H new ATOM 0 HG LEU A 51 0.013 3.697 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.053 5.842 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.859 5.668 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.454 5.420 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.384 3.876 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.804 3.369 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.445 2.245 4.894 1.00 0.00 H new ATOM 844 N ASN A 52 1.478 3.382 0.697 1.00 0.00 N ATOM 845 CA ASN A 52 2.841 3.870 0.815 1.00 0.00 C ATOM 846 C ASN A 52 3.836 2.786 0.417 1.00 0.00 C ATOM 847 O ASN A 52 3.996 1.786 1.116 1.00 0.00 O ATOM 848 CB ASN A 52 3.110 4.337 2.246 1.00 0.00 C ATOM 849 CG ASN A 52 3.649 5.752 2.298 1.00 0.00 C ATOM 850 OD1 ASN A 52 4.209 6.252 1.322 1.00 0.00 O ATOM 851 ND2 ASN A 52 3.476 6.409 3.439 1.00 0.00 N ATOM 0 H ASN A 52 1.398 2.450 0.290 1.00 0.00 H new ATOM 0 HA ASN A 52 2.966 4.715 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.187 4.281 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.823 3.661 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.813 7.367 3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.006 5.955 4.223 1.00 0.00 H new ATOM 858 N ARG A 53 4.503 2.993 -0.716 1.00 0.00 N ATOM 859 CA ARG A 53 5.486 2.033 -1.213 1.00 0.00 C ATOM 860 C ARG A 53 6.499 1.682 -0.127 1.00 0.00 C ATOM 861 O ARG A 53 7.147 0.637 -0.181 1.00 0.00 O ATOM 862 CB ARG A 53 6.200 2.590 -2.449 1.00 0.00 C ATOM 863 CG ARG A 53 6.631 1.519 -3.444 1.00 0.00 C ATOM 864 CD ARG A 53 5.678 1.434 -4.628 1.00 0.00 C ATOM 865 NE ARG A 53 4.281 1.397 -4.204 1.00 0.00 N ATOM 866 CZ ARG A 53 3.256 1.683 -5.003 1.00 0.00 C ATOM 867 NH1 ARG A 53 3.466 2.020 -6.270 1.00 0.00 N ATOM 868 NH2 ARG A 53 2.018 1.635 -4.533 1.00 0.00 N ATOM 0 H ARG A 53 4.381 3.816 -1.307 1.00 0.00 H new ATOM 0 HA ARG A 53 4.959 1.122 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.539 3.295 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.079 3.150 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.637 1.738 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.675 0.552 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.836 2.291 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.904 0.541 -5.212 1.00 0.00 H new ATOM 0 HE ARG A 53 4.079 1.137 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.417 2.061 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.676 2.238 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.852 1.379 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.232 1.854 -5.144 1.00 0.00 H new ATOM 882 N ASP A 54 6.621 2.561 0.865 1.00 0.00 N ATOM 883 CA ASP A 54 7.541 2.351 1.973 1.00 0.00 C ATOM 884 C ASP A 54 6.814 1.737 3.172 1.00 0.00 C ATOM 885 O ASP A 54 5.793 2.262 3.621 1.00 0.00 O ATOM 886 CB ASP A 54 8.173 3.681 2.378 1.00 0.00 C ATOM 887 CG ASP A 54 9.416 3.494 3.223 1.00 0.00 C ATOM 888 OD1 ASP A 54 9.398 2.627 4.120 1.00 0.00 O ATOM 889 OD2 ASP A 54 10.408 4.217 2.990 1.00 0.00 O ATOM 0 H ASP A 54 6.089 3.430 0.921 1.00 0.00 H new ATOM 0 HA ASP A 54 8.320 1.661 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.427 4.247 1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.445 4.272 2.933 1.00 0.00 H new ATOM 894 N PRO A 55 7.328 0.614 3.714 1.00 0.00 N ATOM 895 CA PRO A 55 6.713 -0.057 4.866 1.00 0.00 C ATOM 896 C PRO A 55 6.893 0.729 6.159 1.00 0.00 C ATOM 897 O PRO A 55 5.958 0.878 6.945 1.00 0.00 O ATOM 898 CB PRO A 55 7.463 -1.389 4.941 1.00 0.00 C ATOM 899 CG PRO A 55 8.790 -1.108 4.324 1.00 0.00 C ATOM 900 CD PRO A 55 8.541 -0.084 3.250 1.00 0.00 C ATOM 0 HA PRO A 55 5.635 -0.165 4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.569 -1.727 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.933 -2.174 4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.493 -0.731 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.225 -2.015 3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.383 0.601 3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.388 -0.552 2.277 1.00 0.00 H new ATOM 908 N GLN A 56 8.104 1.229 6.377 1.00 0.00 N ATOM 909 CA GLN A 56 8.412 1.996 7.577 1.00 0.00 C ATOM 910 C GLN A 56 7.482 3.199 7.716 1.00 0.00 C ATOM 911 O GLN A 56 7.209 3.661 8.826 1.00 0.00 O ATOM 912 CB GLN A 56 9.868 2.471 7.534 1.00 0.00 C ATOM 913 CG GLN A 56 10.786 1.714 8.480 1.00 0.00 C ATOM 914 CD GLN A 56 10.927 2.404 9.823 1.00 0.00 C ATOM 915 OE1 GLN A 56 9.939 2.822 10.426 1.00 0.00 O ATOM 916 NE2 GLN A 56 12.162 2.530 10.296 1.00 0.00 N ATOM 0 H GLN A 56 8.890 1.116 5.736 1.00 0.00 H new ATOM 0 HA GLN A 56 8.265 1.347 8.440 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.245 2.368 6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.902 3.532 7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.397 0.707 8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.770 1.611 8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.952 2.168 9.762 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.320 2.988 11.193 1.00 0.00 H new ATOM 925 N HIS A 57 6.995 3.704 6.590 1.00 0.00 N ATOM 926 CA HIS A 57 6.102 4.853 6.604 1.00 0.00 C ATOM 927 C HIS A 57 4.752 4.474 7.189 1.00 0.00 C ATOM 928 O HIS A 57 4.326 5.015 8.208 1.00 0.00 O ATOM 929 CB HIS A 57 5.923 5.399 5.189 1.00 0.00 C ATOM 930 CG HIS A 57 6.539 6.744 4.977 1.00 0.00 C ATOM 931 ND1 HIS A 57 6.149 7.873 5.668 1.00 0.00 N ATOM 932 CD2 HIS A 57 7.514 7.147 4.129 1.00 0.00 C ATOM 933 CE1 HIS A 57 6.852 8.911 5.250 1.00 0.00 C ATOM 934 NE2 HIS A 57 7.688 8.497 4.317 1.00 0.00 N ATOM 0 H HIS A 57 7.202 3.338 5.661 1.00 0.00 H new ATOM 0 HA HIS A 57 6.547 5.627 7.230 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.359 4.695 4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.858 5.459 4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.055 6.523 3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.758 9.925 5.610 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.355 9.084 3.816 1.00 0.00 H new ATOM 942 N LEU A 58 4.083 3.539 6.528 1.00 0.00 N ATOM 943 CA LEU A 58 2.776 3.073 6.963 1.00 0.00 C ATOM 944 C LEU A 58 2.747 2.845 8.470 1.00 0.00 C ATOM 945 O LEU A 58 1.810 3.255 9.154 1.00 0.00 O ATOM 946 CB LEU A 58 2.414 1.781 6.232 1.00 0.00 C ATOM 947 CG LEU A 58 1.070 1.817 5.512 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.260 1.750 4.004 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.164 0.689 5.996 1.00 0.00 C ATOM 0 H LEU A 58 4.429 3.086 5.682 1.00 0.00 H new ATOM 0 HA LEU A 58 2.043 3.843 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.195 1.558 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.405 0.962 6.951 1.00 0.00 H new ATOM 0 HG LEU A 58 0.586 2.764 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.287 1.777 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.857 2.601 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.772 0.824 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.789 0.735 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.641 -0.271 5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.009 0.795 7.067 1.00 0.00 H new ATOM 961 N LEU A 59 3.790 2.197 8.975 1.00 0.00 N ATOM 962 CA LEU A 59 3.900 1.910 10.399 1.00 0.00 C ATOM 963 C LEU A 59 3.854 3.191 11.217 1.00 0.00 C ATOM 964 O LEU A 59 3.081 3.301 12.168 1.00 0.00 O ATOM 965 CB LEU A 59 5.191 1.142 10.686 1.00 0.00 C ATOM 966 CG LEU A 59 5.184 -0.315 10.225 1.00 0.00 C ATOM 967 CD1 LEU A 59 6.543 -0.957 10.453 1.00 0.00 C ATOM 968 CD2 LEU A 59 4.094 -1.099 10.941 1.00 0.00 C ATOM 0 H LEU A 59 4.574 1.860 8.417 1.00 0.00 H new ATOM 0 HA LEU A 59 3.050 1.292 10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.020 1.658 10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.382 1.168 11.759 1.00 0.00 H new ATOM 0 HG LEU A 59 4.973 -0.333 9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.516 -1.994 10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.301 -0.413 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.787 -0.925 11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.106 -2.134 10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.272 -1.070 12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.123 -0.655 10.722 1.00 0.00 H new ATOM 980 N LYS A 60 4.676 4.160 10.840 1.00 0.00 N ATOM 981 CA LYS A 60 4.716 5.433 11.539 1.00 0.00 C ATOM 982 C LYS A 60 3.365 6.139 11.448 1.00 0.00 C ATOM 983 O LYS A 60 2.886 6.709 12.428 1.00 0.00 O ATOM 984 CB LYS A 60 5.814 6.320 10.956 1.00 0.00 C ATOM 985 CG LYS A 60 7.098 6.314 11.769 1.00 0.00 C ATOM 986 CD LYS A 60 6.988 7.214 12.989 1.00 0.00 C ATOM 987 CE LYS A 60 7.392 8.643 12.666 1.00 0.00 C ATOM 988 NZ LYS A 60 6.294 9.395 12.000 1.00 0.00 N ATOM 0 H LYS A 60 5.323 4.088 10.055 1.00 0.00 H new ATOM 0 HA LYS A 60 4.936 5.243 12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.035 5.990 9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.444 7.343 10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.325 5.296 12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.927 6.646 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.964 7.200 13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.623 6.827 13.786 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.677 9.156 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.270 8.635 12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.209 10.338 12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.506 9.494 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.399 8.879 12.117 1.00 0.00 H new ATOM 1002 N PHE A 61 2.755 6.092 10.265 1.00 0.00 N ATOM 1003 CA PHE A 61 1.459 6.723 10.044 1.00 0.00 C ATOM 1004 C PHE A 61 0.391 6.095 10.934 1.00 0.00 C ATOM 1005 O PHE A 61 -0.417 6.799 11.538 1.00 0.00 O ATOM 1006 CB PHE A 61 1.065 6.615 8.571 1.00 0.00 C ATOM 1007 CG PHE A 61 1.350 7.864 7.790 1.00 0.00 C ATOM 1008 CD1 PHE A 61 0.749 9.064 8.134 1.00 0.00 C ATOM 1009 CD2 PHE A 61 2.224 7.839 6.716 1.00 0.00 C ATOM 1010 CE1 PHE A 61 1.012 10.217 7.418 1.00 0.00 C ATOM 1011 CE2 PHE A 61 2.491 8.987 5.996 1.00 0.00 C ATOM 1012 CZ PHE A 61 1.884 10.178 6.349 1.00 0.00 C ATOM 0 H PHE A 61 3.139 5.623 9.445 1.00 0.00 H new ATOM 0 HA PHE A 61 1.539 7.778 10.308 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.601 5.781 8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.002 6.386 8.502 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.067 9.099 8.971 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.702 6.911 6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.536 11.146 7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.173 8.954 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.092 11.077 5.788 1.00 0.00 H new ATOM 1022 N LEU A 62 0.398 4.767 11.020 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.568 4.052 11.846 1.00 0.00 C ATOM 1024 C LEU A 62 -0.502 4.528 13.295 1.00 0.00 C ATOM 1025 O LEU A 62 -1.520 4.861 13.887 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.303 2.543 11.789 1.00 0.00 C ATOM 1027 CG LEU A 62 -1.164 1.761 10.794 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -1.023 2.336 9.394 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -0.773 0.292 10.803 1.00 0.00 C ATOM 0 H LEU A 62 1.060 4.167 10.529 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.564 4.259 11.454 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.746 2.385 11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.459 2.126 12.784 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.207 1.849 11.097 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.643 1.766 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.344 3.378 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.019 2.277 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.392 -0.254 10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.276 0.193 10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.921 -0.118 11.802 1.00 0.00 H new ATOM 1041 N LEU A 63 0.700 4.569 13.863 1.00 0.00 N ATOM 1042 CA LEU A 63 0.872 5.012 15.242 1.00 0.00 C ATOM 1043 C LEU A 63 0.660 6.523 15.374 1.00 0.00 C ATOM 1044 O LEU A 63 0.422 7.026 16.472 1.00 0.00 O ATOM 1045 CB LEU A 63 2.265 4.632 15.752 1.00 0.00 C ATOM 1046 CG LEU A 63 2.419 3.168 16.180 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.709 2.579 15.627 1.00 0.00 C ATOM 1048 CD2 LEU A 63 2.383 3.043 17.697 1.00 0.00 C ATOM 0 H LEU A 63 1.565 4.302 13.392 1.00 0.00 H new ATOM 0 HA LEU A 63 0.118 4.510 15.849 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.993 4.845 14.969 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.512 5.271 16.600 1.00 0.00 H new ATOM 0 HG LEU A 63 1.581 2.605 15.770 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.799 1.540 15.942 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.694 2.628 14.538 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.559 3.147 16.004 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.494 1.996 17.979 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.198 3.623 18.129 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.431 3.420 18.071 1.00 0.00 H new ATOM 1060 N ARG A 64 0.753 7.235 14.257 1.00 0.00 N ATOM 1061 CA ARG A 64 0.573 8.688 14.261 1.00 0.00 C ATOM 1062 C ARG A 64 -0.902 9.056 14.384 1.00 0.00 C ATOM 1063 O ARG A 64 -1.272 9.930 15.171 1.00 0.00 O ATOM 1064 CB ARG A 64 1.162 9.309 12.994 1.00 0.00 C ATOM 1065 CG ARG A 64 1.910 10.609 13.249 1.00 0.00 C ATOM 1066 CD ARG A 64 3.337 10.543 12.729 1.00 0.00 C ATOM 1067 NE ARG A 64 4.079 11.779 12.995 1.00 0.00 N ATOM 1068 CZ ARG A 64 4.656 12.065 14.160 1.00 0.00 C ATOM 1069 NH1 ARG A 64 4.554 11.222 15.181 1.00 0.00 N ATOM 1070 NH2 ARG A 64 5.316 13.206 14.313 1.00 0.00 N ATOM 0 H ARG A 64 0.951 6.835 13.340 1.00 0.00 H new ATOM 0 HA ARG A 64 1.102 9.086 15.127 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.840 8.593 12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.358 9.495 12.282 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.384 11.433 12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.921 10.820 14.318 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.853 9.703 13.194 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.323 10.353 11.656 1.00 0.00 H new ATOM 0 HE ARG A 64 4.158 12.462 12.241 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.032 10.352 15.074 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.997 11.444 16.072 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.382 13.865 13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.758 13.424 15.206 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.739 8.387 13.597 1.00 0.00 N ATOM 1085 CA GLU A 65 -3.177 8.644 13.608 1.00 0.00 C ATOM 1086 C GLU A 65 -3.909 7.714 14.580 1.00 0.00 C ATOM 1087 O GLU A 65 -5.136 7.762 14.688 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.749 8.486 12.195 1.00 0.00 C ATOM 1089 CG GLU A 65 -4.526 9.694 11.702 1.00 0.00 C ATOM 1090 CD GLU A 65 -5.941 9.740 12.243 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -6.675 8.744 12.070 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -6.317 10.772 12.838 1.00 0.00 O ATOM 0 H GLU A 65 -1.447 7.662 12.942 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.331 9.668 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.930 8.287 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.403 7.614 12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.000 10.603 11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.558 9.680 10.613 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.155 6.874 15.288 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.740 5.944 16.250 1.00 0.00 C ATOM 1101 C LEU A 66 -3.802 6.567 17.641 1.00 0.00 C ATOM 1102 O LEU A 66 -2.783 6.700 18.318 1.00 0.00 O ATOM 1103 CB LEU A 66 -2.928 4.649 16.307 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.538 3.464 15.548 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.035 3.878 14.165 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.538 2.318 15.444 1.00 0.00 C ATOM 0 H LEU A 66 -2.139 6.819 15.213 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.754 5.718 15.920 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.934 4.844 15.906 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.800 4.364 17.351 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.401 3.118 16.116 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.460 3.012 13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.798 4.649 14.268 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.202 4.268 13.581 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.991 1.488 14.902 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.650 2.657 14.911 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.257 1.988 16.444 1.00 0.00 H new ATOM 1118 N GLY A 67 -5.004 6.936 18.066 1.00 0.00 N ATOM 1119 CA GLY A 67 -5.169 7.533 19.380 1.00 0.00 C ATOM 1120 C GLY A 67 -5.475 6.507 20.452 1.00 0.00 C ATOM 1121 O GLY A 67 -5.760 6.859 21.596 1.00 0.00 O ATOM 0 H GLY A 67 -5.865 6.834 17.528 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.260 8.072 19.647 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.975 8.266 19.343 1.00 0.00 H new ATOM 1125 N THR A 68 -5.411 5.233 20.080 1.00 0.00 N ATOM 1126 CA THR A 68 -5.677 4.143 21.006 1.00 0.00 C ATOM 1127 C THR A 68 -4.474 3.213 21.099 1.00 0.00 C ATOM 1128 O THR A 68 -3.529 3.333 20.318 1.00 0.00 O ATOM 1129 CB THR A 68 -6.924 3.363 20.585 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.635 2.477 19.523 1.00 0.00 O ATOM 1131 CG2 THR A 68 -8.060 4.253 20.136 1.00 0.00 C ATOM 0 H THR A 68 -5.175 4.930 19.135 1.00 0.00 H new ATOM 0 HA THR A 68 -5.859 4.573 21.991 1.00 0.00 H new ATOM 0 HB THR A 68 -7.233 2.819 21.477 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.824 2.775 19.060 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.913 3.638 19.851 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.347 4.916 20.952 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.740 4.848 19.281 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.516 2.300 22.069 1.00 0.00 N ATOM 1140 CA ALA A 69 -3.432 1.337 22.297 1.00 0.00 C ATOM 1141 C ALA A 69 -2.645 1.034 21.021 1.00 0.00 C ATOM 1142 O ALA A 69 -1.479 1.409 20.895 1.00 0.00 O ATOM 1143 CB ALA A 69 -3.992 0.048 22.887 1.00 0.00 C ATOM 0 H ALA A 69 -5.297 2.205 22.718 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.738 1.792 23.004 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.180 -0.660 23.052 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.483 0.265 23.836 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.715 -0.385 22.195 1.00 0.00 H new ATOM 1149 N GLY A 70 -3.292 0.359 20.076 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.636 0.026 18.824 1.00 0.00 C ATOM 1151 C GLY A 70 -1.841 -1.266 18.900 1.00 0.00 C ATOM 1152 O GLY A 70 -0.759 -1.305 19.484 1.00 0.00 O ATOM 0 H GLY A 70 -4.257 0.037 20.154 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.386 -0.060 18.038 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.970 0.841 18.541 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.381 -2.330 18.306 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.714 -3.629 18.303 1.00 0.00 C ATOM 1158 C ASN A 71 -2.331 -4.556 17.255 1.00 0.00 C ATOM 1159 O ASN A 71 -3.440 -4.320 16.786 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.802 -4.272 19.691 1.00 0.00 C ATOM 1161 CG ASN A 71 -3.227 -4.595 20.100 1.00 0.00 C ATOM 1162 OD1 ASN A 71 -3.957 -3.734 20.591 1.00 0.00 O ATOM 1163 ND2 ASN A 71 -3.628 -5.844 19.900 1.00 0.00 N ATOM 0 H ASN A 71 -3.278 -2.317 17.821 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.666 -3.473 18.049 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.210 -5.187 19.701 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.361 -3.599 20.427 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.575 -6.123 20.156 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.989 -6.525 19.490 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.616 -5.617 16.897 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.116 -6.573 15.912 1.00 0.00 C ATOM 1172 C LEU A 72 -3.075 -7.565 16.567 1.00 0.00 C ATOM 1173 O LEU A 72 -2.659 -8.390 17.380 1.00 0.00 O ATOM 1174 CB LEU A 72 -0.950 -7.332 15.268 1.00 0.00 C ATOM 1175 CG LEU A 72 -0.209 -6.589 14.148 1.00 0.00 C ATOM 1176 CD1 LEU A 72 1.128 -6.054 14.646 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -0.001 -7.506 12.950 1.00 0.00 C ATOM 0 H LEU A 72 -0.693 -5.837 17.271 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.652 -6.020 15.141 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.232 -7.586 16.047 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.330 -8.271 14.866 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.821 -5.742 13.837 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.635 -5.531 13.835 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.959 -5.364 15.473 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.748 -6.883 14.987 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.526 -6.964 12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.589 -8.371 13.252 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.969 -7.839 12.575 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.350 -7.500 16.198 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.345 -8.414 16.745 1.00 0.00 C ATOM 1191 C GLU A 73 -5.695 -9.490 15.719 1.00 0.00 C ATOM 1192 O GLU A 73 -5.556 -9.274 14.514 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.607 -7.652 17.158 1.00 0.00 C ATOM 1194 CG GLU A 73 -6.515 -6.979 18.517 1.00 0.00 C ATOM 1195 CD GLU A 73 -6.884 -7.912 19.653 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -7.701 -8.829 19.424 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -6.357 -7.729 20.771 1.00 0.00 O ATOM 0 H GLU A 73 -4.717 -6.827 15.525 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.923 -8.892 17.629 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.823 -6.895 16.404 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.449 -8.344 17.165 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.500 -6.611 18.669 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.175 -6.112 18.535 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.142 -10.645 16.198 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.496 -11.731 15.301 1.00 0.00 C ATOM 1206 C GLY A 74 -5.332 -12.168 14.434 1.00 0.00 C ATOM 1207 O GLY A 74 -4.225 -11.646 14.560 1.00 0.00 O ATOM 0 H GLY A 74 -6.266 -10.850 17.190 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.849 -12.581 15.885 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.322 -11.417 14.663 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.581 -13.127 13.552 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.535 -13.617 12.674 1.00 0.00 C ATOM 1213 C GLY A 75 -3.934 -12.522 11.809 1.00 0.00 C ATOM 1214 O GLY A 75 -2.771 -12.602 11.415 1.00 0.00 O ATOM 0 H GLY A 75 -6.489 -13.575 13.428 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.748 -14.074 13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.942 -14.399 12.033 1.00 0.00 H new ATOM 1218 N ARG A 76 -4.734 -11.502 11.508 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.285 -10.389 10.675 1.00 0.00 C ATOM 1220 C ARG A 76 -3.744 -9.245 11.530 1.00 0.00 C ATOM 1221 O ARG A 76 -3.436 -9.430 12.706 1.00 0.00 O ATOM 1222 CB ARG A 76 -5.443 -9.899 9.802 1.00 0.00 C ATOM 1223 CG ARG A 76 -6.498 -9.124 10.576 1.00 0.00 C ATOM 1224 CD ARG A 76 -7.767 -8.908 9.763 1.00 0.00 C ATOM 1225 NE ARG A 76 -8.058 -10.038 8.889 1.00 0.00 N ATOM 1226 CZ ARG A 76 -8.819 -11.071 9.238 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -9.357 -11.136 10.451 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -9.037 -12.051 8.374 1.00 0.00 N ATOM 0 H ARG A 76 -5.699 -11.423 11.829 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.475 -10.740 10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.047 -9.265 9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.913 -10.756 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.743 -9.662 11.492 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.091 -8.158 10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.607 -8.747 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.663 -8.004 9.163 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.653 -10.036 7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.188 -10.389 11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.939 -11.933 10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.621 -12.012 7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.620 -12.844 8.639 1.00 0.00 H new ATOM 1242 N ALA A 77 -3.633 -8.061 10.937 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.133 -6.901 11.658 1.00 0.00 C ATOM 1244 C ALA A 77 -4.279 -5.990 12.098 1.00 0.00 C ATOM 1245 O ALA A 77 -4.435 -4.881 11.591 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.140 -6.129 10.799 1.00 0.00 C ATOM 0 H ALA A 77 -3.882 -7.882 9.964 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.621 -7.255 12.553 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.775 -5.264 11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.301 -6.776 10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.632 -5.794 9.886 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.082 -6.461 13.048 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.202 -5.674 13.545 1.00 0.00 C ATOM 1254 C ILE A 78 -5.731 -4.703 14.631 1.00 0.00 C ATOM 1255 O ILE A 78 -5.752 -5.024 15.818 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.317 -6.582 14.113 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.760 -7.616 13.073 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.501 -5.753 14.609 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.632 -8.714 13.648 1.00 0.00 C ATOM 0 H ILE A 78 -4.978 -7.377 13.485 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.608 -5.110 12.705 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.911 -7.121 14.969 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.305 -7.109 12.277 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.877 -8.065 12.619 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.270 -6.417 15.003 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.167 -5.077 15.396 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.911 -5.173 13.782 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.909 -9.411 12.857 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.082 -9.246 14.424 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.533 -8.276 14.077 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.306 -3.515 14.214 1.00 0.00 N ATOM 1272 CA LEU A 79 -4.831 -2.501 15.148 1.00 0.00 C ATOM 1273 C LEU A 79 -5.998 -1.694 15.703 1.00 0.00 C ATOM 1274 O LEU A 79 -7.159 -2.033 15.474 1.00 0.00 O ATOM 1275 CB LEU A 79 -3.808 -1.588 14.468 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.315 -0.872 13.222 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -4.947 0.462 13.581 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.187 -0.679 12.225 1.00 0.00 C ATOM 0 H LEU A 79 -5.281 -3.231 13.235 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.340 -3.000 15.983 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.474 -0.841 15.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.935 -2.182 14.198 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.082 -1.494 12.761 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.301 0.953 12.674 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.787 0.297 14.255 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.207 1.095 14.071 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.566 -0.166 11.341 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.397 -0.081 12.680 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.786 -1.651 11.937 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.684 -0.642 16.452 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.710 0.194 17.064 1.00 0.00 C ATOM 1292 C GLN A 80 -6.321 1.673 17.047 1.00 0.00 C ATOM 1293 O GLN A 80 -5.278 2.053 17.577 1.00 0.00 O ATOM 1294 CB GLN A 80 -6.937 -0.269 18.503 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.370 -0.110 18.987 1.00 0.00 C ATOM 1296 CD GLN A 80 -8.635 -0.878 20.266 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -9.149 -0.327 21.239 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -8.285 -2.159 20.266 1.00 0.00 N ATOM 0 H GLN A 80 -4.727 -0.348 16.650 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.628 0.091 16.485 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.651 -1.318 18.585 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.277 0.294 19.163 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.580 0.947 19.151 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.053 -0.455 18.211 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.862 -2.572 19.435 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.439 -2.730 21.097 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.176 2.501 16.445 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.919 3.933 16.376 1.00 0.00 C ATOM 1309 C GLY A 81 -7.997 4.677 15.609 1.00 0.00 C ATOM 1310 O GLY A 81 -9.119 4.829 16.091 1.00 0.00 O ATOM 0 H GLY A 81 -8.045 2.204 16.002 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.851 4.337 17.386 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.954 4.104 15.899 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.648 5.138 14.407 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.584 5.869 13.558 1.00 0.00 C ATOM 1316 C LYS A 82 -8.233 5.717 12.082 1.00 0.00 C ATOM 1317 O LYS A 82 -8.587 6.565 11.262 1.00 0.00 O ATOM 1318 CB LYS A 82 -8.592 7.350 13.922 1.00 0.00 C ATOM 1319 CG LYS A 82 -9.505 7.686 15.090 1.00 0.00 C ATOM 1320 CD LYS A 82 -8.722 8.222 16.278 1.00 0.00 C ATOM 1321 CE LYS A 82 -9.110 9.657 16.598 1.00 0.00 C ATOM 1322 NZ LYS A 82 -10.578 9.799 16.806 1.00 0.00 N ATOM 0 H LYS A 82 -6.720 5.016 14.000 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.574 5.445 13.727 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.576 7.661 14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.903 7.928 13.051 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.241 8.426 14.776 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.056 6.795 15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.903 7.592 17.149 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.654 8.171 16.064 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.582 9.985 17.494 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.793 10.309 15.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.760 10.561 17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.036 10.030 15.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.965 8.906 17.172 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.546 4.631 11.744 1.00 0.00 N ATOM 1337 CA PHE A 83 -7.165 4.373 10.360 1.00 0.00 C ATOM 1338 C PHE A 83 -8.318 3.719 9.598 1.00 0.00 C ATOM 1339 O PHE A 83 -8.134 2.720 8.904 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.911 3.498 10.316 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.672 4.289 10.017 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.151 5.162 10.951 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -4.045 4.176 8.793 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.027 5.908 10.666 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.917 4.916 8.500 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.409 5.787 9.439 1.00 0.00 C ATOM 0 H PHE A 83 -7.242 3.918 12.407 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.939 5.322 9.874 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.792 2.990 11.273 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.037 2.725 9.558 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.629 5.262 11.915 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.443 3.498 8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.630 6.588 11.405 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.435 4.813 7.539 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.530 6.373 9.215 1.00 0.00 H new ATOM 1356 N THR A 84 -9.510 4.300 9.738 1.00 0.00 N ATOM 1357 CA THR A 84 -10.701 3.793 9.074 1.00 0.00 C ATOM 1358 C THR A 84 -10.697 4.177 7.598 1.00 0.00 C ATOM 1359 O THR A 84 -11.376 5.117 7.188 1.00 0.00 O ATOM 1360 CB THR A 84 -11.949 4.350 9.756 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.827 4.271 11.166 1.00 0.00 O ATOM 1362 CG2 THR A 84 -13.210 3.622 9.360 1.00 0.00 C ATOM 0 H THR A 84 -9.672 5.128 10.311 1.00 0.00 H new ATOM 0 HA THR A 84 -10.706 2.705 9.147 1.00 0.00 H new ATOM 0 HB THR A 84 -12.026 5.387 9.428 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.590 4.720 11.586 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.062 4.063 9.877 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.356 3.706 8.283 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.124 2.570 9.634 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.912 3.448 6.811 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.785 3.708 5.379 1.00 0.00 C ATOM 1372 C HIS A 85 -9.691 5.207 5.106 1.00 0.00 C ATOM 1373 O HIS A 85 -10.222 5.706 4.116 1.00 0.00 O ATOM 1374 CB HIS A 85 -10.979 3.116 4.626 1.00 0.00 C ATOM 1375 CG HIS A 85 -12.284 3.771 4.958 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -13.213 3.213 5.810 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -12.816 4.949 4.550 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -14.257 4.013 5.910 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -14.040 5.074 5.156 1.00 0.00 N ATOM 0 H HIS A 85 -9.349 2.665 7.144 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.869 3.233 5.027 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.801 3.203 3.554 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.049 2.052 4.852 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.361 5.657 3.874 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -15.138 3.831 6.507 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -14.680 5.860 5.042 1.00 0.00 H new ATOM 1387 N PHE A 86 -8.997 5.916 5.990 1.00 0.00 N ATOM 1388 CA PHE A 86 -8.811 7.351 5.842 1.00 0.00 C ATOM 1389 C PHE A 86 -7.519 7.649 5.092 1.00 0.00 C ATOM 1390 O PHE A 86 -7.531 7.944 3.896 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.819 8.041 7.207 1.00 0.00 C ATOM 1392 CG PHE A 86 -9.890 9.087 7.329 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.085 10.009 6.313 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.705 9.149 8.450 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -11.070 10.973 6.412 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -11.693 10.111 8.552 1.00 0.00 C ATOM 1397 CZ PHE A 86 -11.875 11.024 7.532 1.00 0.00 C ATOM 0 H PHE A 86 -8.554 5.517 6.818 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.642 7.746 5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.960 7.292 7.986 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.847 8.502 7.381 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.460 9.974 5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.566 8.438 9.251 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -11.210 11.686 5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.322 10.148 9.429 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.646 11.776 7.611 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.406 7.562 5.809 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.100 7.811 5.224 1.00 0.00 C ATOM 1409 C LEU A 87 -4.723 6.677 4.279 1.00 0.00 C ATOM 1410 O LEU A 87 -4.108 6.900 3.242 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.052 7.953 6.330 1.00 0.00 C ATOM 1412 CG LEU A 87 -3.262 9.264 6.323 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -4.197 10.465 6.320 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -2.327 9.320 7.523 1.00 0.00 C ATOM 0 H LEU A 87 -6.385 7.320 6.800 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.137 8.739 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.551 7.854 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.348 7.124 6.249 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.667 9.299 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.610 11.383 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.828 10.433 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.824 10.440 7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.770 10.257 7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.910 9.260 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.630 8.483 7.480 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.099 5.456 4.647 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.797 4.288 3.827 1.00 0.00 C ATOM 1428 C ILE A 88 -5.496 4.359 2.473 1.00 0.00 C ATOM 1429 O ILE A 88 -4.853 4.365 1.428 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.242 2.990 4.523 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.765 2.947 5.982 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.754 1.773 3.749 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -4.984 1.600 6.648 1.00 0.00 C ATOM 0 H ILE A 88 -5.611 5.250 5.505 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.717 4.284 3.683 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.332 2.971 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.704 3.193 6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.289 3.715 6.551 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.079 0.865 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.168 1.793 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.665 1.789 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.625 1.640 7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.047 1.361 6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.437 0.831 6.102 1.00 0.00 H new ATOM 1445 N ASN A 89 -6.821 4.388 2.503 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.616 4.423 1.282 1.00 0.00 C ATOM 1447 C ASN A 89 -7.241 5.608 0.398 1.00 0.00 C ATOM 1448 O ASN A 89 -7.073 5.462 -0.814 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.098 4.487 1.643 1.00 0.00 C ATOM 1450 CG ASN A 89 -9.935 3.487 0.868 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.377 3.762 -0.246 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -10.152 2.315 1.455 1.00 0.00 N ATOM 0 H ASN A 89 -7.370 4.388 3.362 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.411 3.514 0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.216 4.302 2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.471 5.493 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.704 1.601 0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.766 2.129 2.381 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.118 6.778 1.007 1.00 0.00 N ATOM 1460 CA GLU A 90 -6.771 7.985 0.271 1.00 0.00 C ATOM 1461 C GLU A 90 -5.475 7.799 -0.515 1.00 0.00 C ATOM 1462 O GLU A 90 -5.442 7.995 -1.730 1.00 0.00 O ATOM 1463 CB GLU A 90 -6.644 9.168 1.231 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.973 9.825 1.576 1.00 0.00 C ATOM 1465 CD GLU A 90 -7.948 11.330 1.385 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -7.151 12.002 2.072 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -8.725 11.837 0.547 1.00 0.00 O ATOM 0 H GLU A 90 -7.253 6.917 2.008 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.570 8.189 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.168 8.828 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.985 9.914 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.758 9.397 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.228 9.598 2.611 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.411 7.417 0.179 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.120 7.209 -0.465 1.00 0.00 C ATOM 1476 C ARG A 91 -3.200 6.109 -1.510 1.00 0.00 C ATOM 1477 O ARG A 91 -2.780 6.287 -2.652 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.066 6.826 0.566 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.812 7.887 1.622 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.329 8.158 1.803 1.00 0.00 C ATOM 1481 NE ARG A 91 0.000 9.553 1.529 1.00 0.00 N ATOM 1482 CZ ARG A 91 1.081 9.945 0.860 1.00 0.00 C ATOM 1483 NH1 ARG A 91 1.965 9.055 0.427 1.00 0.00 N ATOM 1484 NH2 ARG A 91 1.284 11.233 0.631 1.00 0.00 N ATOM 0 H ARG A 91 -4.416 7.245 1.184 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.843 8.145 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.375 5.905 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.130 6.612 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.318 8.810 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.241 7.566 2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.035 7.908 2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.243 7.511 1.138 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.638 10.272 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.818 8.062 0.606 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.791 9.364 -0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.612 11.923 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.112 11.535 0.118 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.738 4.956 -1.115 1.00 0.00 N ATOM 1499 CA ILE A 92 -3.858 3.831 -2.029 1.00 0.00 C ATOM 1500 C ILE A 92 -4.529 4.264 -3.330 1.00 0.00 C ATOM 1501 O ILE A 92 -3.973 4.101 -4.413 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.668 2.671 -1.404 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.934 2.093 -0.189 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.933 1.583 -2.438 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.725 1.026 0.540 1.00 0.00 C ATOM 0 H ILE A 92 -4.094 4.781 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.847 3.479 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.627 3.066 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.983 1.671 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.703 2.901 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.504 0.776 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.500 2.002 -3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.984 1.192 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.147 0.661 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.664 1.449 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.934 0.200 -0.140 1.00 0.00 H new ATOM 1517 N GLU A 93 -5.727 4.824 -3.202 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.492 5.290 -4.353 1.00 0.00 C ATOM 1519 C GLU A 93 -5.674 6.255 -5.209 1.00 0.00 C ATOM 1520 O GLU A 93 -5.831 6.301 -6.428 1.00 0.00 O ATOM 1521 CB GLU A 93 -7.782 5.976 -3.893 1.00 0.00 C ATOM 1522 CG GLU A 93 -8.995 5.627 -4.743 1.00 0.00 C ATOM 1523 CD GLU A 93 -9.415 6.762 -5.657 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -8.713 7.009 -6.660 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -10.447 7.405 -5.369 1.00 0.00 O ATOM 0 H GLU A 93 -6.192 4.967 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.742 4.419 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.982 5.698 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.635 7.056 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.771 4.746 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.828 5.364 -4.090 1.00 0.00 H new ATOM 1532 N ASP A 94 -4.805 7.024 -4.563 1.00 0.00 N ATOM 1533 CA ASP A 94 -3.965 7.987 -5.265 1.00 0.00 C ATOM 1534 C ASP A 94 -2.906 7.279 -6.112 1.00 0.00 C ATOM 1535 O ASP A 94 -2.520 7.766 -7.174 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.290 8.925 -4.258 1.00 0.00 C ATOM 1537 CG ASP A 94 -2.669 10.143 -4.915 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -2.450 10.108 -6.143 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -2.401 11.132 -4.198 1.00 0.00 O ATOM 0 H ASP A 94 -4.664 6.999 -3.553 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.600 8.570 -5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.025 9.250 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.519 8.376 -3.718 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.440 6.130 -5.631 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.424 5.355 -6.339 1.00 0.00 C ATOM 1546 C TYR A 95 -2.056 4.415 -7.362 1.00 0.00 C ATOM 1547 O TYR A 95 -1.769 4.498 -8.556 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.574 4.554 -5.348 1.00 0.00 C ATOM 1549 CG TYR A 95 0.393 5.399 -4.546 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.640 5.738 -5.054 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.059 5.852 -3.277 1.00 0.00 C ATOM 1552 CE1 TYR A 95 2.527 6.505 -4.319 1.00 0.00 C ATOM 1553 CE2 TYR A 95 0.939 6.618 -2.535 1.00 0.00 C ATOM 1554 CZ TYR A 95 2.172 6.941 -3.061 1.00 0.00 C ATOM 1555 OH TYR A 95 3.054 7.701 -2.325 1.00 0.00 O ATOM 0 H TYR A 95 -2.750 5.714 -4.753 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.783 6.058 -6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.235 4.026 -4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.012 3.797 -5.895 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.922 5.397 -6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -0.906 5.601 -2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.493 6.761 -4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 95 0.662 6.961 -1.549 1.00 0.00 H new ATOM 0 HH TYR A 95 3.617 8.227 -2.931 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.916 3.520 -6.885 1.00 0.00 N ATOM 1566 CA VAL A 96 -3.589 2.560 -7.755 1.00 0.00 C ATOM 1567 C VAL A 96 -4.295 3.266 -8.907 1.00 0.00 C ATOM 1568 O VAL A 96 -4.171 2.863 -10.062 1.00 0.00 O ATOM 1569 CB VAL A 96 -4.612 1.711 -6.975 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -3.907 0.847 -5.940 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -5.663 2.596 -6.318 1.00 0.00 C ATOM 0 H VAL A 96 -3.164 3.439 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.819 1.901 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.121 1.054 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.644 0.254 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.203 0.182 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.369 1.485 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.374 1.974 -5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.178 3.284 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.191 3.164 -7.084 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.025 4.328 -8.583 1.00 0.00 N ATOM 1582 CA ASN A 97 -5.740 5.097 -9.588 1.00 0.00 C ATOM 1583 C ASN A 97 -5.096 6.466 -9.772 1.00 0.00 C ATOM 1584 O ASN A 97 -5.771 7.491 -9.722 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.215 5.249 -9.203 1.00 0.00 C ATOM 1586 CG ASN A 97 -8.035 4.024 -9.559 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -8.227 3.707 -10.735 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -8.521 3.325 -8.541 1.00 0.00 N ATOM 0 H ASN A 97 -5.135 4.674 -7.630 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.684 4.558 -10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.291 5.435 -8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.631 6.121 -9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.078 2.489 -8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.337 3.624 -7.583 1.00 0.00 H new ATOM 1595 N LYS A 98 -3.784 6.469 -10.013 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.050 7.712 -10.232 1.00 0.00 C ATOM 1597 C LYS A 98 -3.215 8.188 -11.671 1.00 0.00 C ATOM 1598 O LYS A 98 -3.351 9.380 -11.931 1.00 0.00 O ATOM 1599 CB LYS A 98 -1.565 7.549 -9.920 1.00 0.00 C ATOM 1600 CG LYS A 98 -0.848 8.882 -9.781 1.00 0.00 C ATOM 1601 CD LYS A 98 0.644 8.695 -9.589 1.00 0.00 C ATOM 1602 CE LYS A 98 1.017 8.661 -8.115 1.00 0.00 C ATOM 1603 NZ LYS A 98 1.235 10.026 -7.557 1.00 0.00 N ATOM 0 H LYS A 98 -3.211 5.626 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.467 8.456 -9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.452 6.981 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.093 6.967 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.028 9.487 -10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.259 9.430 -8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.960 7.768 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.180 9.506 -10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.227 8.163 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.923 8.068 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.741 9.954 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.800 10.588 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.317 10.490 -7.405 1.00 0.00 H new ATOM 1617 N PHE A 99 -3.200 7.246 -12.603 1.00 0.00 N ATOM 1618 CA PHE A 99 -3.344 7.581 -14.016 1.00 0.00 C ATOM 1619 C PHE A 99 -4.556 8.487 -14.253 1.00 0.00 C ATOM 1620 O PHE A 99 -4.469 9.459 -14.998 1.00 0.00 O ATOM 1621 CB PHE A 99 -3.444 6.309 -14.864 1.00 0.00 C ATOM 1622 CG PHE A 99 -2.384 6.230 -15.929 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -1.051 6.057 -15.587 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -2.717 6.340 -17.271 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -0.073 5.992 -16.560 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -1.742 6.278 -18.249 1.00 0.00 C ATOM 1627 CZ PHE A 99 -0.418 6.104 -17.893 1.00 0.00 C ATOM 0 H PHE A 99 -3.091 6.250 -12.411 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.454 8.131 -14.321 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.364 5.438 -14.214 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.427 6.268 -15.333 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.774 5.972 -14.547 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.750 6.476 -17.555 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.961 5.854 -16.279 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.015 6.365 -19.290 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.345 6.056 -18.655 1.00 0.00 H new ATOM 1637 N VAL A 100 -5.686 8.155 -13.636 1.00 0.00 N ATOM 1638 CA VAL A 100 -6.909 8.939 -13.809 1.00 0.00 C ATOM 1639 C VAL A 100 -7.014 10.094 -12.809 1.00 0.00 C ATOM 1640 O VAL A 100 -7.605 11.131 -13.111 1.00 0.00 O ATOM 1641 CB VAL A 100 -8.168 8.060 -13.686 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -8.376 7.260 -14.962 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -8.074 7.137 -12.476 1.00 0.00 C ATOM 0 H VAL A 100 -5.782 7.352 -13.014 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.850 9.355 -14.815 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.030 8.711 -13.540 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.269 6.643 -14.863 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.498 7.942 -15.803 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.510 6.621 -15.136 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.975 6.528 -12.412 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.204 6.489 -12.580 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.975 7.734 -11.570 1.00 0.00 H new ATOM 1653 N ILE A 101 -6.450 9.916 -11.621 1.00 0.00 N ATOM 1654 CA ILE A 101 -6.505 10.956 -10.599 1.00 0.00 C ATOM 1655 C ILE A 101 -5.453 12.039 -10.859 1.00 0.00 C ATOM 1656 O ILE A 101 -5.751 13.231 -10.777 1.00 0.00 O ATOM 1657 CB ILE A 101 -6.320 10.365 -9.178 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -6.722 11.385 -8.106 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -4.884 9.925 -8.981 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -6.481 10.917 -6.679 1.00 0.00 C ATOM 0 H ILE A 101 -5.953 9.070 -11.342 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.494 11.410 -10.654 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.971 9.496 -9.077 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.167 12.308 -8.272 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.779 11.623 -8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -4.764 9.511 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.632 9.165 -9.720 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.221 10.782 -9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.792 11.696 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.058 10.011 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.421 10.707 -6.539 1.00 0.00 H new ATOM 1672 N CYS A 102 -4.220 11.622 -11.172 1.00 0.00 N ATOM 1673 CA CYS A 102 -3.134 12.564 -11.440 1.00 0.00 C ATOM 1674 C CYS A 102 -3.132 13.027 -12.901 1.00 0.00 C ATOM 1675 O CYS A 102 -2.149 13.595 -13.378 1.00 0.00 O ATOM 1676 CB CYS A 102 -1.777 11.935 -11.101 1.00 0.00 C ATOM 1677 SG CYS A 102 -0.417 13.124 -11.024 1.00 0.00 S ATOM 0 H CYS A 102 -3.953 10.640 -11.245 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.300 13.434 -10.805 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -1.854 11.424 -10.142 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.542 11.177 -11.848 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.637 14.090 -11.866 1.00 0.00 H new ATOM 1682 N HIS A 103 -4.230 12.775 -13.609 1.00 0.00 N ATOM 1683 CA HIS A 103 -4.343 13.159 -15.011 1.00 0.00 C ATOM 1684 C HIS A 103 -3.164 12.623 -15.819 1.00 0.00 C ATOM 1685 O HIS A 103 -2.524 13.360 -16.567 1.00 0.00 O ATOM 1686 CB HIS A 103 -4.450 14.684 -15.153 1.00 0.00 C ATOM 1687 CG HIS A 103 -5.747 15.232 -14.641 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -6.781 14.427 -14.217 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -6.179 16.509 -14.483 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -7.792 15.177 -13.822 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -7.454 16.444 -13.972 1.00 0.00 N ATOM 0 H HIS A 103 -5.054 12.306 -13.233 1.00 0.00 H new ATOM 0 HA HIS A 103 -5.256 12.716 -15.409 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -3.626 15.152 -14.614 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -4.337 14.954 -16.203 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.626 17.407 -14.715 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.736 14.816 -13.441 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.043 17.245 -13.746 1.00 0.00 H new ATOM 1699 N GLU A 104 -2.883 11.330 -15.648 1.00 0.00 N ATOM 1700 CA GLU A 104 -1.789 10.661 -16.350 1.00 0.00 C ATOM 1701 C GLU A 104 -0.525 11.508 -16.390 1.00 0.00 C ATOM 1702 O GLU A 104 -0.188 12.091 -17.420 1.00 0.00 O ATOM 1703 CB GLU A 104 -2.208 10.251 -17.768 1.00 0.00 C ATOM 1704 CG GLU A 104 -2.552 11.407 -18.700 1.00 0.00 C ATOM 1705 CD GLU A 104 -3.514 11.004 -19.802 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -4.350 10.106 -19.565 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -3.435 11.593 -20.901 1.00 0.00 O ATOM 0 H GLU A 104 -3.406 10.720 -15.021 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.559 9.759 -15.782 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.400 9.672 -18.216 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.073 9.591 -17.698 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.991 12.218 -18.119 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.636 11.793 -19.146 1.00 0.00 H new ATOM 1714 N CYS A 105 0.175 11.564 -15.260 1.00 0.00 N ATOM 1715 CA CYS A 105 1.413 12.329 -15.161 1.00 0.00 C ATOM 1716 C CYS A 105 2.521 11.687 -15.997 1.00 0.00 C ATOM 1717 O CYS A 105 3.592 11.359 -15.483 1.00 0.00 O ATOM 1718 CB CYS A 105 1.851 12.434 -13.698 1.00 0.00 C ATOM 1719 SG CYS A 105 2.498 14.058 -13.235 1.00 0.00 S ATOM 0 H CYS A 105 -0.095 11.088 -14.399 1.00 0.00 H new ATOM 0 HA CYS A 105 1.228 13.330 -15.551 1.00 0.00 H new ATOM 0 HB2 CYS A 105 1.001 12.197 -13.058 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.615 11.682 -13.504 1.00 0.00 H new ATOM 0 HG CYS A 105 1.513 14.895 -13.098 1.00 0.00 H new ATOM 1724 N ASN A 106 2.255 11.507 -17.287 1.00 0.00 N ATOM 1725 CA ASN A 106 3.217 10.905 -18.190 1.00 0.00 C ATOM 1726 C ASN A 106 4.376 11.872 -18.469 1.00 0.00 C ATOM 1727 O ASN A 106 5.287 12.002 -17.652 1.00 0.00 O ATOM 1728 CB ASN A 106 2.514 10.475 -19.482 1.00 0.00 C ATOM 1729 CG ASN A 106 2.942 9.099 -19.934 1.00 0.00 C ATOM 1730 OD1 ASN A 106 3.009 8.164 -19.137 1.00 0.00 O ATOM 1731 ND2 ASN A 106 3.237 8.970 -21.220 1.00 0.00 N ATOM 0 H ASN A 106 1.374 11.773 -17.728 1.00 0.00 H new ATOM 0 HA ASN A 106 3.643 10.017 -17.723 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.435 10.485 -19.327 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.730 11.198 -20.269 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.535 8.066 -21.587 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.166 9.775 -21.843 1.00 0.00 H new ATOM 1738 N ARG A 107 4.341 12.551 -19.618 1.00 0.00 N ATOM 1739 CA ARG A 107 5.383 13.506 -19.980 1.00 0.00 C ATOM 1740 C ARG A 107 4.880 14.955 -19.893 1.00 0.00 C ATOM 1741 O ARG A 107 4.873 15.667 -20.896 1.00 0.00 O ATOM 1742 CB ARG A 107 5.907 13.215 -21.391 1.00 0.00 C ATOM 1743 CG ARG A 107 5.657 11.792 -21.868 1.00 0.00 C ATOM 1744 CD ARG A 107 6.783 11.310 -22.768 1.00 0.00 C ATOM 1745 NE ARG A 107 7.814 10.590 -22.021 1.00 0.00 N ATOM 1746 CZ ARG A 107 9.123 10.826 -22.128 1.00 0.00 C ATOM 1747 NH1 ARG A 107 9.581 11.753 -22.961 1.00 0.00 N ATOM 1748 NH2 ARG A 107 9.984 10.117 -21.411 1.00 0.00 N ATOM 0 H ARG A 107 3.600 12.455 -20.312 1.00 0.00 H new ATOM 0 HA ARG A 107 6.197 13.391 -19.264 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.439 13.908 -22.090 1.00 0.00 H new ATOM 0 HB3 ARG A 107 6.979 13.412 -21.416 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.565 11.128 -21.008 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.711 11.747 -22.408 1.00 0.00 H new ATOM 0 HD2 ARG A 107 6.375 10.659 -23.541 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.233 12.164 -23.275 1.00 0.00 H new ATOM 0 HE ARG A 107 7.513 9.860 -21.376 1.00 0.00 H new ATOM 0 HH11 ARG A 107 8.930 12.295 -23.529 1.00 0.00 H new ATOM 0 HH12 ARG A 107 10.584 11.923 -23.033 1.00 0.00 H new ATOM 0 HH21 ARG A 107 9.646 9.392 -20.778 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.985 10.297 -21.492 1.00 0.00 H new ATOM 1762 N PRO A 108 4.448 15.422 -18.705 1.00 0.00 N ATOM 1763 CA PRO A 108 3.951 16.793 -18.544 1.00 0.00 C ATOM 1764 C PRO A 108 4.930 17.831 -19.094 1.00 0.00 C ATOM 1765 O PRO A 108 6.146 17.662 -19.004 1.00 0.00 O ATOM 1766 CB PRO A 108 3.803 16.949 -17.026 1.00 0.00 C ATOM 1767 CG PRO A 108 3.633 15.562 -16.509 1.00 0.00 C ATOM 1768 CD PRO A 108 4.402 14.663 -17.439 1.00 0.00 C ATOM 0 HA PRO A 108 3.023 16.955 -19.092 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.681 17.427 -16.591 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.944 17.571 -16.775 1.00 0.00 H new ATOM 0 HG2 PRO A 108 4.010 15.479 -15.489 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.579 15.284 -16.483 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.403 14.457 -17.060 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.905 13.701 -17.567 1.00 0.00 H new ATOM 1776 N ASP A 109 4.387 18.912 -19.657 1.00 0.00 N ATOM 1777 CA ASP A 109 5.201 19.991 -20.215 1.00 0.00 C ATOM 1778 C ASP A 109 5.656 20.955 -19.115 1.00 0.00 C ATOM 1779 O ASP A 109 6.099 22.069 -19.395 1.00 0.00 O ATOM 1780 CB ASP A 109 4.397 20.752 -21.274 1.00 0.00 C ATOM 1781 CG ASP A 109 3.888 19.841 -22.373 1.00 0.00 C ATOM 1782 OD1 ASP A 109 4.641 19.592 -23.336 1.00 0.00 O ATOM 1783 OD2 ASP A 109 2.734 19.373 -22.266 1.00 0.00 O ATOM 0 H ASP A 109 3.381 19.063 -19.738 1.00 0.00 H new ATOM 0 HA ASP A 109 6.086 19.553 -20.676 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.553 21.250 -20.798 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.022 21.531 -21.711 1.00 0.00 H new ATOM 1788 N THR A 110 5.536 20.515 -17.866 1.00 0.00 N ATOM 1789 CA THR A 110 5.918 21.310 -16.706 1.00 0.00 C ATOM 1790 C THR A 110 7.118 20.670 -16.009 1.00 0.00 C ATOM 1791 O THR A 110 7.595 19.617 -16.432 1.00 0.00 O ATOM 1792 CB THR A 110 4.745 21.417 -15.734 1.00 0.00 C ATOM 1793 OG1 THR A 110 5.112 22.152 -14.573 1.00 0.00 O ATOM 1794 CG2 THR A 110 4.241 20.062 -15.304 1.00 0.00 C ATOM 0 H THR A 110 5.169 19.593 -17.630 1.00 0.00 H new ATOM 0 HA THR A 110 6.192 22.311 -17.038 1.00 0.00 H new ATOM 0 HB THR A 110 3.949 21.936 -16.268 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.854 21.649 -13.772 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.407 20.186 -14.613 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.908 19.503 -16.179 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.044 19.516 -14.809 1.00 0.00 H new ATOM 1802 N ARG A 111 7.611 21.315 -14.957 1.00 0.00 N ATOM 1803 CA ARG A 111 8.764 20.808 -14.220 1.00 0.00 C ATOM 1804 C ARG A 111 8.335 19.869 -13.090 1.00 0.00 C ATOM 1805 O ARG A 111 7.905 20.314 -12.026 1.00 0.00 O ATOM 1806 CB ARG A 111 9.564 21.975 -13.644 1.00 0.00 C ATOM 1807 CG ARG A 111 10.179 22.880 -14.700 1.00 0.00 C ATOM 1808 CD ARG A 111 11.695 22.896 -14.605 1.00 0.00 C ATOM 1809 NE ARG A 111 12.277 24.024 -15.325 1.00 0.00 N ATOM 1810 CZ ARG A 111 12.602 23.993 -16.617 1.00 0.00 C ATOM 1811 NH1 ARG A 111 12.398 22.897 -17.336 1.00 0.00 N ATOM 1812 NH2 ARG A 111 13.133 25.062 -17.191 1.00 0.00 N ATOM 0 H ARG A 111 7.231 22.190 -14.595 1.00 0.00 H new ATOM 0 HA ARG A 111 9.386 20.242 -14.914 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.912 22.570 -13.005 1.00 0.00 H new ATOM 0 HB3 ARG A 111 10.358 21.581 -13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.879 22.540 -15.691 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.795 23.893 -14.581 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.992 22.943 -13.557 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.093 21.965 -15.008 1.00 0.00 H new ATOM 0 HE ARG A 111 12.445 24.887 -14.809 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.990 22.070 -16.900 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.649 22.881 -18.324 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.293 25.908 -16.644 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.382 25.039 -18.180 1.00 0.00 H new ATOM 1826 N ILE A 112 8.463 18.567 -13.332 1.00 0.00 N ATOM 1827 CA ILE A 112 8.092 17.561 -12.338 1.00 0.00 C ATOM 1828 C ILE A 112 9.290 17.126 -11.510 1.00 0.00 C ATOM 1829 O ILE A 112 10.413 17.048 -12.009 1.00 0.00 O ATOM 1830 CB ILE A 112 7.492 16.293 -12.987 1.00 0.00 C ATOM 1831 CG1 ILE A 112 6.688 16.643 -14.236 1.00 0.00 C ATOM 1832 CG2 ILE A 112 6.615 15.550 -11.985 1.00 0.00 C ATOM 1833 CD1 ILE A 112 5.509 17.541 -13.951 1.00 0.00 C ATOM 0 H ILE A 112 8.820 18.183 -14.207 1.00 0.00 H new ATOM 0 HA ILE A 112 7.345 18.039 -11.704 1.00 0.00 H new ATOM 0 HB ILE A 112 8.315 15.644 -13.285 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.343 17.132 -14.957 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.332 15.724 -14.701 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.199 14.659 -12.456 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.215 15.258 -11.123 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.803 16.201 -11.659 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.980 17.752 -14.880 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.834 17.045 -13.253 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.861 18.475 -13.513 1.00 0.00 H new ATOM 1845 N ILE A 113 9.037 16.814 -10.249 1.00 0.00 N ATOM 1846 CA ILE A 113 10.093 16.351 -9.363 1.00 0.00 C ATOM 1847 C ILE A 113 9.567 15.276 -8.432 1.00 0.00 C ATOM 1848 O ILE A 113 8.411 15.325 -8.014 1.00 0.00 O ATOM 1849 CB ILE A 113 10.704 17.495 -8.529 1.00 0.00 C ATOM 1850 CG1 ILE A 113 11.888 16.978 -7.706 1.00 0.00 C ATOM 1851 CG2 ILE A 113 9.660 18.132 -7.625 1.00 0.00 C ATOM 1852 CD1 ILE A 113 11.497 16.290 -6.406 1.00 0.00 C ATOM 0 H ILE A 113 8.115 16.872 -9.818 1.00 0.00 H new ATOM 0 HA ILE A 113 10.880 15.943 -9.997 1.00 0.00 H new ATOM 0 HB ILE A 113 11.064 18.262 -9.215 1.00 0.00 H new ATOM 0 HG12 ILE A 113 12.460 16.279 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.548 17.815 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.119 18.935 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.851 18.538 -8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.260 17.380 -6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.395 15.955 -5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 113 10.952 16.991 -5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.863 15.431 -6.625 1.00 0.00 H new ATOM 1864 N ARG A 114 10.418 14.305 -8.112 1.00 0.00 N ATOM 1865 CA ARG A 114 10.027 13.219 -7.227 1.00 0.00 C ATOM 1866 C ARG A 114 11.185 12.806 -6.326 1.00 0.00 C ATOM 1867 O ARG A 114 12.227 12.360 -6.803 1.00 0.00 O ATOM 1868 CB ARG A 114 9.542 12.016 -8.037 1.00 0.00 C ATOM 1869 CG ARG A 114 8.461 11.203 -7.345 1.00 0.00 C ATOM 1870 CD ARG A 114 7.843 10.189 -8.294 1.00 0.00 C ATOM 1871 NE ARG A 114 6.406 10.042 -8.077 1.00 0.00 N ATOM 1872 CZ ARG A 114 5.555 9.582 -8.993 1.00 0.00 C ATOM 1873 NH1 ARG A 114 5.982 9.224 -10.199 1.00 0.00 N ATOM 1874 NH2 ARG A 114 4.269 9.467 -8.698 1.00 0.00 N ATOM 0 H ARG A 114 11.378 14.250 -8.452 1.00 0.00 H new ATOM 0 HA ARG A 114 9.211 13.576 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.161 12.366 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.392 11.367 -8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 114 8.886 10.687 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.686 11.870 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.025 10.498 -9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.331 9.223 -8.161 1.00 0.00 H new ATOM 0 HE ARG A 114 6.030 10.308 -7.167 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.972 9.300 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.320 8.873 -10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.933 9.730 -7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.615 9.115 -9.397 1.00 0.00 H new ATOM 1888 N GLU A 115 10.999 12.962 -5.020 1.00 0.00 N ATOM 1889 CA GLU A 115 12.034 12.609 -4.056 1.00 0.00 C ATOM 1890 C GLU A 115 11.481 11.705 -2.961 1.00 0.00 C ATOM 1891 O GLU A 115 10.365 11.899 -2.483 1.00 0.00 O ATOM 1892 CB GLU A 115 12.623 13.879 -3.442 1.00 0.00 C ATOM 1893 CG GLU A 115 13.949 13.658 -2.735 1.00 0.00 C ATOM 1894 CD GLU A 115 15.001 13.071 -3.655 1.00 0.00 C ATOM 1895 OE1 GLU A 115 15.009 11.836 -3.836 1.00 0.00 O ATOM 1896 OE2 GLU A 115 15.812 13.850 -4.197 1.00 0.00 O ATOM 0 H GLU A 115 10.143 13.330 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 115 12.818 12.062 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.760 14.622 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.908 14.294 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 115 14.308 14.607 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.799 12.991 -1.886 1.00 0.00 H new ATOM 1903 N GLY A 116 12.270 10.711 -2.566 1.00 0.00 N ATOM 1904 CA GLY A 116 11.838 9.792 -1.530 1.00 0.00 C ATOM 1905 C GLY A 116 11.468 8.430 -2.081 1.00 0.00 C ATOM 1906 O GLY A 116 10.693 7.696 -1.469 1.00 0.00 O ATOM 0 H GLY A 116 13.199 10.526 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.634 9.679 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.979 10.215 -1.008 1.00 0.00 H new ATOM 1910 N ARG A 117 12.020 8.088 -3.241 1.00 0.00 N ATOM 1911 CA ARG A 117 11.737 6.801 -3.866 1.00 0.00 C ATOM 1912 C ARG A 117 10.245 6.647 -4.149 1.00 0.00 C ATOM 1913 O ARG A 117 9.612 5.687 -3.705 1.00 0.00 O ATOM 1914 CB ARG A 117 12.219 5.661 -2.965 1.00 0.00 C ATOM 1915 CG ARG A 117 13.681 5.781 -2.565 1.00 0.00 C ATOM 1916 CD ARG A 117 14.411 4.453 -2.705 1.00 0.00 C ATOM 1917 NE ARG A 117 15.536 4.347 -1.775 1.00 0.00 N ATOM 1918 CZ ARG A 117 16.680 3.717 -2.054 1.00 0.00 C ATOM 1919 NH1 ARG A 117 16.856 3.119 -3.228 1.00 0.00 N ATOM 1920 NH2 ARG A 117 17.654 3.690 -1.154 1.00 0.00 N ATOM 0 H ARG A 117 12.663 8.681 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 117 12.272 6.759 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 117 11.605 5.636 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 117 12.068 4.712 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 117 14.168 6.532 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 117 13.749 6.128 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 117 13.714 3.635 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 117 14.774 4.344 -3.727 1.00 0.00 H new ATOM 0 HE ARG A 117 15.440 4.781 -0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 117 16.113 3.138 -3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 117 17.734 2.641 -3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 117 17.528 4.149 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 117 18.529 3.210 -1.364 1.00 0.00 H new ATOM 1934 N ILE A 118 9.689 7.596 -4.895 1.00 0.00 N ATOM 1935 CA ILE A 118 8.272 7.566 -5.242 1.00 0.00 C ATOM 1936 C ILE A 118 7.405 7.848 -4.020 1.00 0.00 C ATOM 1937 O ILE A 118 6.539 7.051 -3.660 1.00 0.00 O ATOM 1938 CB ILE A 118 7.864 6.208 -5.850 1.00 0.00 C ATOM 1939 CG1 ILE A 118 8.908 5.737 -6.866 1.00 0.00 C ATOM 1940 CG2 ILE A 118 6.489 6.309 -6.500 1.00 0.00 C ATOM 1941 CD1 ILE A 118 8.701 4.309 -7.320 1.00 0.00 C ATOM 0 H ILE A 118 10.198 8.396 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 118 8.113 8.345 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 118 7.813 5.472 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.881 6.394 -7.735 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.901 5.831 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.215 5.343 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 118 5.752 6.598 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.515 7.059 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.475 4.040 -8.039 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.757 3.642 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.722 4.215 -7.789 1.00 0.00 H new ATOM 1953 N SER A 119 7.647 8.987 -3.382 1.00 0.00 N ATOM 1954 CA SER A 119 6.886 9.371 -2.195 1.00 0.00 C ATOM 1955 C SER A 119 6.514 10.852 -2.220 1.00 0.00 C ATOM 1956 O SER A 119 5.436 11.236 -1.758 1.00 0.00 O ATOM 1957 CB SER A 119 7.677 9.054 -0.925 1.00 0.00 C ATOM 1958 OG SER A 119 7.707 7.660 -0.674 1.00 0.00 O ATOM 0 H SER A 119 8.360 9.659 -3.664 1.00 0.00 H new ATOM 0 HA SER A 119 5.963 8.791 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.695 9.430 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.228 9.569 -0.076 1.00 0.00 H new ATOM 0 HG SER A 119 8.607 7.315 -0.850 1.00 0.00 H new ATOM 1964 N LEU A 120 7.402 11.682 -2.759 1.00 0.00 N ATOM 1965 CA LEU A 120 7.158 13.118 -2.840 1.00 0.00 C ATOM 1966 C LEU A 120 7.285 13.597 -4.276 1.00 0.00 C ATOM 1967 O LEU A 120 8.118 13.097 -5.027 1.00 0.00 O ATOM 1968 CB LEU A 120 8.148 13.880 -1.958 1.00 0.00 C ATOM 1969 CG LEU A 120 8.079 13.554 -0.464 1.00 0.00 C ATOM 1970 CD1 LEU A 120 9.393 12.954 0.017 1.00 0.00 C ATOM 1971 CD2 LEU A 120 7.738 14.802 0.337 1.00 0.00 C ATOM 0 H LEU A 120 8.297 11.384 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 120 6.145 13.311 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.158 13.673 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.977 14.949 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 120 7.291 12.817 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.323 12.730 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.597 12.036 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.201 13.666 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.693 14.553 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.505 15.559 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.772 15.189 0.014 1.00 0.00 H new ATOM 1983 N LEU A 121 6.451 14.560 -4.655 1.00 0.00 N ATOM 1984 CA LEU A 121 6.478 15.093 -6.011 1.00 0.00 C ATOM 1985 C LEU A 121 5.569 16.311 -6.155 1.00 0.00 C ATOM 1986 O LEU A 121 4.637 16.491 -5.372 1.00 0.00 O ATOM 1987 CB LEU A 121 6.067 14.008 -7.013 1.00 0.00 C ATOM 1988 CG LEU A 121 4.709 13.338 -6.754 1.00 0.00 C ATOM 1989 CD1 LEU A 121 4.243 12.578 -7.991 1.00 0.00 C ATOM 1990 CD2 LEU A 121 4.787 12.397 -5.559 1.00 0.00 C ATOM 0 H LEU A 121 5.752 14.985 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 121 7.499 15.412 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 121 6.049 14.449 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.836 13.236 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 121 3.984 14.121 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 121 3.280 12.110 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.142 13.270 -8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.974 11.810 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 121 3.813 11.935 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.528 11.622 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.075 12.960 -4.671 1.00 0.00 H new ATOM 2002 N LYS A 122 5.849 17.142 -7.169 1.00 0.00 N ATOM 2003 CA LYS A 122 5.047 18.347 -7.426 1.00 0.00 C ATOM 2004 C LYS A 122 4.298 18.238 -8.748 1.00 0.00 C ATOM 2005 O LYS A 122 4.842 17.756 -9.747 1.00 0.00 O ATOM 2006 CB LYS A 122 5.910 19.610 -7.433 1.00 0.00 C ATOM 2007 CG LYS A 122 6.896 19.677 -8.584 1.00 0.00 C ATOM 2008 CD LYS A 122 7.353 21.102 -8.843 1.00 0.00 C ATOM 2009 CE LYS A 122 8.724 21.375 -8.247 1.00 0.00 C ATOM 2010 NZ LYS A 122 8.729 21.216 -6.767 1.00 0.00 N ATOM 0 H LYS A 122 6.621 17.003 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 122 4.326 18.423 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.258 20.483 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.460 19.667 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.760 19.051 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.434 19.273 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.381 21.284 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.628 21.798 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.453 20.695 -8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.036 22.387 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.573 21.678 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.875 21.655 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.743 20.204 -6.527 1.00 0.00 H new ATOM 2024 N CYS A 123 3.047 18.699 -8.739 1.00 0.00 N ATOM 2025 CA CYS A 123 2.194 18.670 -9.922 1.00 0.00 C ATOM 2026 C CYS A 123 1.449 19.995 -10.090 1.00 0.00 C ATOM 2027 O CYS A 123 0.219 20.038 -10.055 1.00 0.00 O ATOM 2028 CB CYS A 123 1.195 17.515 -9.826 1.00 0.00 C ATOM 2029 SG CYS A 123 1.957 15.878 -9.952 1.00 0.00 S ATOM 0 H CYS A 123 2.600 19.101 -7.915 1.00 0.00 H new ATOM 0 HA CYS A 123 2.829 18.520 -10.795 1.00 0.00 H new ATOM 0 HB2 CYS A 123 0.662 17.586 -8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 123 0.453 17.622 -10.617 1.00 0.00 H new ATOM 0 HG CYS A 123 1.063 15.010 -10.323 1.00 0.00 H new ATOM 2034 N GLU A 124 2.203 21.073 -10.276 1.00 0.00 N ATOM 2035 CA GLU A 124 1.612 22.394 -10.452 1.00 0.00 C ATOM 2036 C GLU A 124 0.772 22.454 -11.727 1.00 0.00 C ATOM 2037 O GLU A 124 -0.142 23.269 -11.837 1.00 0.00 O ATOM 2038 CB GLU A 124 2.696 23.477 -10.480 1.00 0.00 C ATOM 2039 CG GLU A 124 3.910 23.114 -11.325 1.00 0.00 C ATOM 2040 CD GLU A 124 4.927 24.237 -11.399 1.00 0.00 C ATOM 2041 OE1 GLU A 124 4.544 25.361 -11.791 1.00 0.00 O ATOM 2042 OE2 GLU A 124 6.107 23.994 -11.069 1.00 0.00 O ATOM 0 H GLU A 124 3.222 21.058 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 124 0.957 22.580 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.263 24.401 -10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.023 23.677 -9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.385 22.226 -10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.583 22.858 -12.333 1.00 0.00 H new ATOM 2049 N ALA A 125 1.077 21.590 -12.690 1.00 0.00 N ATOM 2050 CA ALA A 125 0.332 21.562 -13.946 1.00 0.00 C ATOM 2051 C ALA A 125 -0.976 20.798 -13.783 1.00 0.00 C ATOM 2052 O ALA A 125 -2.057 21.389 -13.766 1.00 0.00 O ATOM 2053 CB ALA A 125 1.178 20.935 -15.039 1.00 0.00 C ATOM 0 H ALA A 125 1.829 20.904 -12.627 1.00 0.00 H new ATOM 0 HA ALA A 125 0.093 22.587 -14.229 1.00 0.00 H new ATOM 0 HB1 ALA A 125 0.614 20.919 -15.972 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.088 21.520 -15.175 1.00 0.00 H new ATOM 0 HB3 ALA A 125 1.441 19.916 -14.756 1.00 0.00 H new ATOM 2059 N CYS A 126 -0.870 19.479 -13.658 1.00 0.00 N ATOM 2060 CA CYS A 126 -2.045 18.631 -13.490 1.00 0.00 C ATOM 2061 C CYS A 126 -2.571 18.708 -12.057 1.00 0.00 C ATOM 2062 O CYS A 126 -2.697 17.692 -11.374 1.00 0.00 O ATOM 2063 CB CYS A 126 -1.714 17.179 -13.856 1.00 0.00 C ATOM 2064 SG CYS A 126 -0.410 16.436 -12.849 1.00 0.00 S ATOM 0 H CYS A 126 0.016 18.975 -13.670 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.824 18.993 -14.161 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -2.618 16.578 -13.760 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -1.415 17.140 -14.903 1.00 0.00 H new ATOM 0 HG CYS A 126 -0.833 16.293 -11.628 1.00 0.00 H new ATOM 2069 N GLY A 127 -2.882 19.923 -11.610 1.00 0.00 N ATOM 2070 CA GLY A 127 -3.396 20.113 -10.267 1.00 0.00 C ATOM 2071 C GLY A 127 -2.346 20.630 -9.303 1.00 0.00 C ATOM 2072 O GLY A 127 -1.778 21.702 -9.508 1.00 0.00 O ATOM 0 H GLY A 127 -2.786 20.779 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -4.230 20.814 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.788 19.166 -9.896 1.00 0.00 H new ATOM 2076 N ALA A 128 -2.092 19.865 -8.250 1.00 0.00 N ATOM 2077 CA ALA A 128 -1.106 20.244 -7.250 1.00 0.00 C ATOM 2078 C ALA A 128 -0.529 19.013 -6.567 1.00 0.00 C ATOM 2079 O ALA A 128 -1.198 17.989 -6.458 1.00 0.00 O ATOM 2080 CB ALA A 128 -1.722 21.176 -6.224 1.00 0.00 C ATOM 0 H ALA A 128 -2.557 18.976 -8.067 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.294 20.768 -7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.970 21.450 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.086 22.075 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.553 20.674 -5.729 1.00 0.00 H new ATOM 2086 N LYS A 129 0.710 19.119 -6.109 1.00 0.00 N ATOM 2087 CA LYS A 129 1.377 18.010 -5.437 1.00 0.00 C ATOM 2088 C LYS A 129 2.396 18.531 -4.429 1.00 0.00 C ATOM 2089 O LYS A 129 2.909 19.641 -4.572 1.00 0.00 O ATOM 2090 CB LYS A 129 2.066 17.110 -6.468 1.00 0.00 C ATOM 2091 CG LYS A 129 1.806 15.619 -6.291 1.00 0.00 C ATOM 2092 CD LYS A 129 0.358 15.268 -6.574 1.00 0.00 C ATOM 2093 CE LYS A 129 -0.248 14.454 -5.447 1.00 0.00 C ATOM 2094 NZ LYS A 129 0.016 12.998 -5.613 1.00 0.00 N ATOM 0 H LYS A 129 1.276 19.964 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 129 0.628 17.426 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.738 17.406 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.141 17.285 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.455 15.054 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 129 2.061 15.323 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.218 16.183 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.294 14.705 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 129 0.161 14.791 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -1.324 14.627 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -0.709 12.453 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.013 12.753 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 0.955 12.769 -5.228 1.00 0.00 H new ATOM 2108 N ALA A 130 2.672 17.736 -3.403 1.00 0.00 N ATOM 2109 CA ALA A 130 3.621 18.130 -2.366 1.00 0.00 C ATOM 2110 C ALA A 130 5.051 17.672 -2.693 1.00 0.00 C ATOM 2111 O ALA A 130 5.379 16.495 -2.546 1.00 0.00 O ATOM 2112 CB ALA A 130 3.175 17.573 -1.020 1.00 0.00 C ATOM 0 H ALA A 130 2.254 16.816 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 130 3.635 19.219 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.887 17.870 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.188 17.965 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.131 16.485 -1.073 1.00 0.00 H new ATOM 2118 N PRO A 131 5.925 18.603 -3.143 1.00 0.00 N ATOM 2119 CA PRO A 131 7.318 18.281 -3.484 1.00 0.00 C ATOM 2120 C PRO A 131 8.157 17.934 -2.252 1.00 0.00 C ATOM 2121 O PRO A 131 8.406 16.764 -1.976 1.00 0.00 O ATOM 2122 CB PRO A 131 7.838 19.558 -4.154 1.00 0.00 C ATOM 2123 CG PRO A 131 6.955 20.655 -3.659 1.00 0.00 C ATOM 2124 CD PRO A 131 5.619 20.031 -3.352 1.00 0.00 C ATOM 0 HA PRO A 131 7.382 17.401 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 131 8.879 19.743 -3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 131 7.793 19.478 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 131 7.378 21.120 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 131 6.853 21.438 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.167 20.475 -2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 131 4.916 20.171 -4.173 1.00 0.00 H new