USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 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 -36:sc= 0.476 USER MOD Set 1.2: A 105 CYS SG : rot 80:sc= -0.751 USER MOD Set 1.3: A 123 CYS SG : rot -171:sc= -0.601 USER MOD Set 1.4: A 126 CYS SG : rot 57:sc= -0.771 USER MOD Set 1.5: A 129 LYS NZ :NH3+ -127:sc= 0.749 (180deg=-0.155) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.96! C(o=-2.2!,f=-2!) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.21 X(o=-2.2,f=-2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -42:sc= -3.83! USER MOD Single : A 35 GLN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 39 THR OG1 : rot 173:sc=-0.00851 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 43 ASN : amide:sc= -0.0931 K(o=-0.093,f=-1.3) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -43:sc= -1.79 USER MOD Single : A 71 ASN : amide:sc= 0.397 K(o=0.4,f=-8.7!) USER MOD Single : A 80 GLN : amide:sc= -0.886 K(o=-0.89,f=-0.12) USER MOD Single : A 82 LYS NZ :NH3+ 147:sc= -0.196 (180deg=-1.08) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 85 HIS : no HE2:sc= -3.23! C(o=-3.2!,f=-9.3!) USER MOD Single : A 89 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.82) USER MOD Single : A 95 TYR OH : rot 140:sc= -2.9! USER MOD Single : A 97 ASN : amide:sc= -1.11 K(o=-1.1,f=-6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.0686 X(o=-0.069,f=-0.32) USER MOD Single : A 110 THR OG1 : rot 51:sc= -0.303 USER MOD Single : A 119 SER OG : rot 107:sc= 0.487 USER MOD Single : A 122 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.993) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -8.723 -2.405 1.187 1.00 0.00 N ATOM 506 CA TYR A 31 -8.649 -1.319 2.156 1.00 0.00 C ATOM 507 C TYR A 31 -8.976 -1.825 3.555 1.00 0.00 C ATOM 508 O TYR A 31 -9.432 -2.955 3.729 1.00 0.00 O ATOM 509 CB TYR A 31 -9.595 -0.179 1.771 1.00 0.00 C ATOM 510 CG TYR A 31 -11.058 -0.552 1.825 1.00 0.00 C ATOM 511 CD1 TYR A 31 -11.624 -1.344 0.838 1.00 0.00 C ATOM 512 CD2 TYR A 31 -11.874 -0.107 2.858 1.00 0.00 C ATOM 513 CE1 TYR A 31 -12.963 -1.683 0.874 1.00 0.00 C ATOM 514 CE2 TYR A 31 -13.213 -0.443 2.905 1.00 0.00 C ATOM 515 CZ TYR A 31 -13.755 -1.231 1.910 1.00 0.00 C ATOM 516 OH TYR A 31 -15.091 -1.567 1.948 1.00 0.00 O ATOM 0 HA TYR A 31 -7.629 -0.935 2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.421 0.665 2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.353 0.156 0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.008 -1.702 0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.454 0.512 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.388 -2.299 0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.833 -0.091 3.716 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.506 -1.170 2.742 1.00 0.00 H new ATOM 526 N SER A 32 -8.736 -0.982 4.547 1.00 0.00 N ATOM 527 CA SER A 32 -8.998 -1.335 5.934 1.00 0.00 C ATOM 528 C SER A 32 -10.496 -1.442 6.194 1.00 0.00 C ATOM 529 O SER A 32 -11.308 -1.177 5.308 1.00 0.00 O ATOM 530 CB SER A 32 -8.370 -0.299 6.858 1.00 0.00 C ATOM 531 OG SER A 32 -7.289 0.354 6.218 1.00 0.00 O ATOM 0 H SER A 32 -8.358 -0.044 4.416 1.00 0.00 H new ATOM 0 HA SER A 32 -8.552 -2.309 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.120 0.434 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.020 -0.783 7.770 1.00 0.00 H new ATOM 0 HG SER A 32 -6.754 -0.304 5.726 1.00 0.00 H new ATOM 537 N VAL A 33 -10.859 -1.841 7.406 1.00 0.00 N ATOM 538 CA VAL A 33 -12.265 -1.992 7.759 1.00 0.00 C ATOM 539 C VAL A 33 -12.579 -1.356 9.105 1.00 0.00 C ATOM 540 O VAL A 33 -11.824 -1.495 10.068 1.00 0.00 O ATOM 541 CB VAL A 33 -12.692 -3.479 7.792 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.950 -3.686 6.965 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.570 -4.385 7.296 1.00 0.00 C ATOM 0 H VAL A 33 -10.205 -2.065 8.156 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.830 -1.478 6.982 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.906 -3.747 8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.238 -4.737 6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.757 -3.076 7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.759 -3.394 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.899 -5.424 7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.314 -4.119 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.694 -4.261 7.932 1.00 0.00 H new ATOM 553 N ILE A 34 -13.705 -0.658 9.158 1.00 0.00 N ATOM 554 CA ILE A 34 -14.140 0.009 10.377 1.00 0.00 C ATOM 555 C ILE A 34 -14.919 -0.949 11.271 1.00 0.00 C ATOM 556 O ILE A 34 -16.059 -1.303 10.970 1.00 0.00 O ATOM 557 CB ILE A 34 -15.029 1.228 10.059 1.00 0.00 C ATOM 558 CG1 ILE A 34 -14.399 2.076 8.949 1.00 0.00 C ATOM 559 CG2 ILE A 34 -15.253 2.059 11.314 1.00 0.00 C ATOM 560 CD1 ILE A 34 -15.078 3.415 8.745 1.00 0.00 C ATOM 0 H ILE A 34 -14.337 -0.539 8.366 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.243 0.346 10.897 1.00 0.00 H new ATOM 0 HB ILE A 34 -15.997 0.872 9.706 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.348 2.244 9.184 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.431 1.516 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.882 2.916 11.075 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.744 1.448 12.072 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -14.293 2.408 11.695 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.577 3.959 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -16.123 3.256 8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.023 3.995 9.666 1.00 0.00 H new ATOM 572 N GLN A 35 -14.297 -1.371 12.367 1.00 0.00 N ATOM 573 CA GLN A 35 -14.939 -2.292 13.298 1.00 0.00 C ATOM 574 C GLN A 35 -15.057 -1.672 14.689 1.00 0.00 C ATOM 575 O GLN A 35 -14.151 -1.796 15.514 1.00 0.00 O ATOM 576 CB GLN A 35 -14.155 -3.607 13.367 1.00 0.00 C ATOM 577 CG GLN A 35 -14.975 -4.824 12.964 1.00 0.00 C ATOM 578 CD GLN A 35 -14.137 -6.081 12.841 1.00 0.00 C ATOM 579 OE1 GLN A 35 -14.304 -6.864 11.905 1.00 0.00 O ATOM 580 NE2 GLN A 35 -13.229 -6.283 13.790 1.00 0.00 N ATOM 0 H GLN A 35 -13.353 -1.091 12.632 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.945 -2.498 12.933 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.283 -3.535 12.718 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.786 -3.748 14.383 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.761 -4.987 13.701 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.467 -4.626 12.012 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.124 -5.608 14.548 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.637 -7.113 13.761 1.00 0.00 H new ATOM 589 N GLY A 36 -16.179 -1.004 14.938 1.00 0.00 N ATOM 590 CA GLY A 36 -16.402 -0.372 16.226 1.00 0.00 C ATOM 591 C GLY A 36 -15.488 0.816 16.452 1.00 0.00 C ATOM 592 O GLY A 36 -15.941 1.961 16.486 1.00 0.00 O ATOM 0 H GLY A 36 -16.940 -0.889 14.269 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.440 -0.046 16.293 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.245 -1.104 17.019 1.00 0.00 H new ATOM 596 N ASN A 37 -14.197 0.542 16.605 1.00 0.00 N ATOM 597 CA ASN A 37 -13.209 1.591 16.826 1.00 0.00 C ATOM 598 C ASN A 37 -11.803 1.074 16.533 1.00 0.00 C ATOM 599 O ASN A 37 -10.824 1.546 17.110 1.00 0.00 O ATOM 600 CB ASN A 37 -13.294 2.106 18.266 1.00 0.00 C ATOM 601 CG ASN A 37 -13.546 3.600 18.329 1.00 0.00 C ATOM 602 OD1 ASN A 37 -14.685 4.055 18.219 1.00 0.00 O ATOM 603 ND2 ASN A 37 -12.480 4.373 18.503 1.00 0.00 N ATOM 0 H ASN A 37 -13.810 -0.401 16.580 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.423 2.415 16.145 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -14.094 1.583 18.790 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.366 1.874 18.788 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.587 5.386 18.550 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.554 3.953 18.589 1.00 0.00 H new ATOM 610 N ARG A 38 -11.715 0.090 15.642 1.00 0.00 N ATOM 611 CA ARG A 38 -10.434 -0.505 15.275 1.00 0.00 C ATOM 612 C ARG A 38 -10.408 -0.875 13.796 1.00 0.00 C ATOM 613 O ARG A 38 -11.454 -1.075 13.180 1.00 0.00 O ATOM 614 CB ARG A 38 -10.153 -1.751 16.124 1.00 0.00 C ATOM 615 CG ARG A 38 -11.398 -2.529 16.515 1.00 0.00 C ATOM 616 CD ARG A 38 -11.196 -3.285 17.818 1.00 0.00 C ATOM 617 NE ARG A 38 -11.372 -2.421 18.982 1.00 0.00 N ATOM 618 CZ ARG A 38 -12.519 -1.823 19.291 1.00 0.00 C ATOM 619 NH1 ARG A 38 -13.598 -2.015 18.541 1.00 0.00 N ATOM 620 NH2 ARG A 38 -12.592 -1.038 20.357 1.00 0.00 N ATOM 0 H ARG A 38 -12.518 -0.313 15.160 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.658 0.237 15.464 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.484 -2.411 15.571 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.627 -1.449 17.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.239 -1.844 16.617 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.654 -3.231 15.722 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.903 -4.113 17.870 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.196 -3.718 17.835 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.570 -2.267 19.593 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.549 -2.623 17.724 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.475 -1.554 18.782 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.768 -0.892 20.941 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.472 -0.580 20.593 1.00 0.00 H new ATOM 634 N THR A 39 -9.206 -0.968 13.232 1.00 0.00 N ATOM 635 CA THR A 39 -9.047 -1.317 11.823 1.00 0.00 C ATOM 636 C THR A 39 -8.515 -2.746 11.671 1.00 0.00 C ATOM 637 O THR A 39 -7.489 -3.102 12.244 1.00 0.00 O ATOM 638 CB THR A 39 -8.128 -0.296 11.125 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.824 0.356 10.077 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.868 -0.884 10.519 1.00 0.00 C ATOM 0 H THR A 39 -8.330 -0.807 13.728 1.00 0.00 H new ATOM 0 HA THR A 39 -10.024 -1.281 11.340 1.00 0.00 H new ATOM 0 HB THR A 39 -7.830 0.388 11.920 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.270 1.081 9.718 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.285 -0.091 10.051 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.274 -1.357 11.301 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.138 -1.627 9.769 1.00 0.00 H new ATOM 648 N PHE A 40 -9.228 -3.559 10.899 1.00 0.00 N ATOM 649 CA PHE A 40 -8.838 -4.950 10.675 1.00 0.00 C ATOM 650 C PHE A 40 -8.090 -5.112 9.359 1.00 0.00 C ATOM 651 O PHE A 40 -8.650 -5.597 8.376 1.00 0.00 O ATOM 652 CB PHE A 40 -10.081 -5.834 10.650 1.00 0.00 C ATOM 653 CG PHE A 40 -9.833 -7.284 10.950 1.00 0.00 C ATOM 654 CD1 PHE A 40 -8.854 -8.004 10.281 1.00 0.00 C ATOM 655 CD2 PHE A 40 -10.606 -7.933 11.893 1.00 0.00 C ATOM 656 CE1 PHE A 40 -8.657 -9.344 10.555 1.00 0.00 C ATOM 657 CE2 PHE A 40 -10.412 -9.269 12.172 1.00 0.00 C ATOM 658 CZ PHE A 40 -9.437 -9.977 11.502 1.00 0.00 C ATOM 0 H PHE A 40 -10.082 -3.279 10.416 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.177 -5.247 11.489 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.799 -5.446 11.373 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.545 -5.756 9.667 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.241 -7.513 9.540 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.374 -7.386 12.420 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.893 -9.896 10.028 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.023 -9.760 12.915 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.284 -11.024 11.717 1.00 0.00 H new ATOM 668 N ILE A 41 -6.823 -4.722 9.338 1.00 0.00 N ATOM 669 CA ILE A 41 -6.029 -4.855 8.128 1.00 0.00 C ATOM 670 C ILE A 41 -5.912 -6.325 7.733 1.00 0.00 C ATOM 671 O ILE A 41 -5.399 -7.147 8.499 1.00 0.00 O ATOM 672 CB ILE A 41 -4.617 -4.217 8.296 1.00 0.00 C ATOM 673 CG1 ILE A 41 -4.543 -2.896 7.530 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.494 -5.141 7.821 1.00 0.00 C ATOM 675 CD1 ILE A 41 -5.700 -1.961 7.803 1.00 0.00 C ATOM 0 H ILE A 41 -6.330 -4.317 10.134 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.539 -4.315 7.331 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.474 -4.044 9.363 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.612 -2.390 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.506 -3.109 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.533 -4.647 7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.514 -6.065 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.634 -5.370 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.574 -1.047 7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.634 -2.445 7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.727 -1.716 8.865 1.00 0.00 H new ATOM 687 N GLN A 42 -6.382 -6.648 6.537 1.00 0.00 N ATOM 688 CA GLN A 42 -6.317 -8.017 6.036 1.00 0.00 C ATOM 689 C GLN A 42 -5.344 -8.112 4.869 1.00 0.00 C ATOM 690 O GLN A 42 -4.738 -9.157 4.632 1.00 0.00 O ATOM 691 CB GLN A 42 -7.698 -8.503 5.599 1.00 0.00 C ATOM 692 CG GLN A 42 -8.615 -7.394 5.120 1.00 0.00 C ATOM 693 CD GLN A 42 -9.926 -7.919 4.578 1.00 0.00 C ATOM 694 OE1 GLN A 42 -10.160 -9.128 4.549 1.00 0.00 O ATOM 695 NE2 GLN A 42 -10.788 -7.011 4.143 1.00 0.00 N ATOM 0 H GLN A 42 -6.812 -5.983 5.894 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.964 -8.654 6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.579 -9.234 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.172 -9.018 6.434 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.815 -6.710 5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.109 -6.819 4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.550 -6.020 4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.689 -7.303 3.764 1.00 0.00 H new ATOM 704 N ASN A 43 -5.195 -7.009 4.145 1.00 0.00 N ATOM 705 CA ASN A 43 -4.295 -6.956 3.007 1.00 0.00 C ATOM 706 C ASN A 43 -3.093 -6.072 3.323 1.00 0.00 C ATOM 707 O ASN A 43 -2.663 -5.273 2.494 1.00 0.00 O ATOM 708 CB ASN A 43 -5.034 -6.430 1.776 1.00 0.00 C ATOM 709 CG ASN A 43 -6.247 -7.269 1.433 1.00 0.00 C ATOM 710 OD1 ASN A 43 -7.316 -7.108 2.023 1.00 0.00 O ATOM 711 ND2 ASN A 43 -6.089 -8.174 0.475 1.00 0.00 N ATOM 0 H ASN A 43 -5.690 -6.137 4.330 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.937 -7.964 2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.345 -5.401 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.353 -6.415 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.871 -8.769 0.202 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.186 -8.274 0.012 1.00 0.00 H new ATOM 718 N PHE A 44 -2.557 -6.220 4.533 1.00 0.00 N ATOM 719 CA PHE A 44 -1.409 -5.432 4.969 1.00 0.00 C ATOM 720 C PHE A 44 -0.321 -5.387 3.903 1.00 0.00 C ATOM 721 O PHE A 44 0.489 -4.473 3.887 1.00 0.00 O ATOM 722 CB PHE A 44 -0.819 -6.009 6.256 1.00 0.00 C ATOM 723 CG PHE A 44 0.175 -5.097 6.914 1.00 0.00 C ATOM 724 CD1 PHE A 44 -0.083 -3.740 7.034 1.00 0.00 C ATOM 725 CD2 PHE A 44 1.371 -5.593 7.406 1.00 0.00 C ATOM 726 CE1 PHE A 44 0.831 -2.897 7.633 1.00 0.00 C ATOM 727 CE2 PHE A 44 2.290 -4.754 8.006 1.00 0.00 C ATOM 728 CZ PHE A 44 2.019 -3.405 8.119 1.00 0.00 C ATOM 0 H PHE A 44 -2.901 -6.881 5.230 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.767 -4.418 5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.628 -6.219 6.956 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.336 -6.960 6.032 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.011 -3.338 6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.588 -6.648 7.320 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.617 -1.842 7.721 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.219 -5.153 8.386 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.736 -2.747 8.587 1.00 0.00 H new ATOM 738 N ARG A 45 -0.298 -6.373 3.020 1.00 0.00 N ATOM 739 CA ARG A 45 0.707 -6.417 1.966 1.00 0.00 C ATOM 740 C ARG A 45 0.359 -5.461 0.828 1.00 0.00 C ATOM 741 O ARG A 45 1.170 -4.617 0.444 1.00 0.00 O ATOM 742 CB ARG A 45 0.844 -7.839 1.431 1.00 0.00 C ATOM 743 CG ARG A 45 2.285 -8.260 1.215 1.00 0.00 C ATOM 744 CD ARG A 45 3.001 -8.486 2.538 1.00 0.00 C ATOM 745 NE ARG A 45 3.748 -9.742 2.546 1.00 0.00 N ATOM 746 CZ ARG A 45 3.506 -10.751 3.382 1.00 0.00 C ATOM 747 NH1 ARG A 45 2.544 -10.662 4.293 1.00 0.00 N ATOM 748 NH2 ARG A 45 4.235 -11.856 3.307 1.00 0.00 N ATOM 0 H ARG A 45 -0.959 -7.150 3.010 1.00 0.00 H new ATOM 0 HA ARG A 45 1.658 -6.100 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.371 -8.530 2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.304 -7.919 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.314 -9.175 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.808 -7.494 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.683 -7.657 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.272 -8.492 3.349 1.00 0.00 H new ATOM 0 HE ARG A 45 4.502 -9.853 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.981 -9.814 4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.369 -11.441 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.977 -11.931 2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.053 -12.631 3.945 1.00 0.00 H new ATOM 762 N GLU A 46 -0.857 -5.585 0.310 1.00 0.00 N ATOM 763 CA GLU A 46 -1.309 -4.719 -0.772 1.00 0.00 C ATOM 764 C GLU A 46 -1.627 -3.329 -0.241 1.00 0.00 C ATOM 765 O GLU A 46 -1.283 -2.321 -0.858 1.00 0.00 O ATOM 766 CB GLU A 46 -2.531 -5.309 -1.472 1.00 0.00 C ATOM 767 CG GLU A 46 -2.804 -4.690 -2.835 1.00 0.00 C ATOM 768 CD GLU A 46 -1.596 -4.733 -3.749 1.00 0.00 C ATOM 769 OE1 GLU A 46 -0.718 -3.853 -3.616 1.00 0.00 O ATOM 770 OE2 GLU A 46 -1.526 -5.646 -4.598 1.00 0.00 O ATOM 0 H GLU A 46 -1.544 -6.272 0.619 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.503 -4.642 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.389 -6.383 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.406 -5.171 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.632 -5.216 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.118 -3.655 -2.703 1.00 0.00 H new ATOM 777 N VAL A 47 -2.274 -3.283 0.919 1.00 0.00 N ATOM 778 CA VAL A 47 -2.626 -2.018 1.545 1.00 0.00 C ATOM 779 C VAL A 47 -1.371 -1.249 1.926 1.00 0.00 C ATOM 780 O VAL A 47 -1.287 -0.038 1.721 1.00 0.00 O ATOM 781 CB VAL A 47 -3.493 -2.231 2.803 1.00 0.00 C ATOM 782 CG1 VAL A 47 -4.079 -0.916 3.285 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.597 -3.240 2.531 1.00 0.00 C ATOM 0 H VAL A 47 -2.564 -4.109 1.443 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.203 -1.445 0.819 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.853 -2.627 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.686 -1.092 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.272 -0.225 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.700 -0.485 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.196 -3.375 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.232 -2.876 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.155 -4.194 2.243 1.00 0.00 H new ATOM 793 N ALA A 48 -0.401 -1.950 2.507 1.00 0.00 N ATOM 794 CA ALA A 48 0.839 -1.319 2.933 1.00 0.00 C ATOM 795 C ALA A 48 1.639 -0.767 1.756 1.00 0.00 C ATOM 796 O ALA A 48 2.271 0.282 1.859 1.00 0.00 O ATOM 797 CB ALA A 48 1.700 -2.289 3.723 1.00 0.00 C ATOM 0 H ALA A 48 -0.452 -2.952 2.692 1.00 0.00 H new ATOM 0 HA ALA A 48 0.558 -0.483 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.621 -1.792 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.156 -2.622 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.942 -3.150 3.101 1.00 0.00 H new ATOM 803 N ASP A 49 1.605 -1.472 0.632 1.00 0.00 N ATOM 804 CA ASP A 49 2.338 -1.025 -0.548 1.00 0.00 C ATOM 805 C ASP A 49 1.679 0.211 -1.152 1.00 0.00 C ATOM 806 O ASP A 49 2.264 1.293 -1.161 1.00 0.00 O ATOM 807 CB ASP A 49 2.410 -2.142 -1.587 1.00 0.00 C ATOM 808 CG ASP A 49 3.538 -1.937 -2.580 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.591 -1.394 -2.184 1.00 0.00 O ATOM 810 OD2 ASP A 49 3.366 -2.319 -3.757 1.00 0.00 O ATOM 0 H ASP A 49 1.087 -2.342 0.512 1.00 0.00 H new ATOM 0 HA ASP A 49 3.351 -0.765 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.545 -3.098 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.463 -2.197 -2.124 1.00 0.00 H new ATOM 815 N ALA A 50 0.473 0.039 -1.677 1.00 0.00 N ATOM 816 CA ALA A 50 -0.256 1.139 -2.304 1.00 0.00 C ATOM 817 C ALA A 50 -0.248 2.417 -1.455 1.00 0.00 C ATOM 818 O ALA A 50 0.109 3.486 -1.946 1.00 0.00 O ATOM 819 CB ALA A 50 -1.679 0.710 -2.604 1.00 0.00 C ATOM 0 H ALA A 50 -0.023 -0.852 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 50 0.259 1.380 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.217 1.535 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.666 -0.145 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.178 0.431 -1.676 1.00 0.00 H new ATOM 825 N LEU A 51 -0.655 2.314 -0.190 1.00 0.00 N ATOM 826 CA LEU A 51 -0.699 3.478 0.682 1.00 0.00 C ATOM 827 C LEU A 51 0.715 4.005 0.928 1.00 0.00 C ATOM 828 O LEU A 51 0.914 5.199 1.145 1.00 0.00 O ATOM 829 CB LEU A 51 -1.392 3.129 2.011 1.00 0.00 C ATOM 830 CG LEU A 51 -0.934 3.947 3.220 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.109 5.421 2.943 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.684 3.543 4.488 1.00 0.00 C ATOM 0 H LEU A 51 -0.956 1.443 0.247 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.279 4.261 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.467 3.263 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.225 2.073 2.223 1.00 0.00 H new ATOM 0 HG LEU A 51 0.123 3.741 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.780 5.995 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.513 5.701 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.160 5.632 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.332 4.145 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.752 3.707 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.503 2.489 4.697 1.00 0.00 H new ATOM 844 N ASN A 52 1.700 3.117 0.873 1.00 0.00 N ATOM 845 CA ASN A 52 3.083 3.525 1.078 1.00 0.00 C ATOM 846 C ASN A 52 4.047 2.401 0.717 1.00 0.00 C ATOM 847 O ASN A 52 4.239 1.463 1.490 1.00 0.00 O ATOM 848 CB ASN A 52 3.290 3.962 2.529 1.00 0.00 C ATOM 849 CG ASN A 52 3.708 5.414 2.644 1.00 0.00 C ATOM 850 OD1 ASN A 52 4.732 5.823 2.096 1.00 0.00 O ATOM 851 ND2 ASN A 52 2.917 6.202 3.363 1.00 0.00 N ATOM 0 H ASN A 52 1.569 2.122 0.691 1.00 0.00 H new ATOM 0 HA ASN A 52 3.292 4.368 0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.366 3.808 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.050 3.331 2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.149 7.189 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.078 5.821 3.800 1.00 0.00 H new ATOM 858 N ARG A 53 4.654 2.505 -0.465 1.00 0.00 N ATOM 859 CA ARG A 53 5.603 1.499 -0.946 1.00 0.00 C ATOM 860 C ARG A 53 6.501 0.986 0.179 1.00 0.00 C ATOM 861 O ARG A 53 6.813 -0.203 0.244 1.00 0.00 O ATOM 862 CB ARG A 53 6.459 2.083 -2.071 1.00 0.00 C ATOM 863 CG ARG A 53 7.286 1.044 -2.812 1.00 0.00 C ATOM 864 CD ARG A 53 8.676 1.565 -3.146 1.00 0.00 C ATOM 865 NE ARG A 53 9.727 0.686 -2.642 1.00 0.00 N ATOM 866 CZ ARG A 53 10.020 0.548 -1.353 1.00 0.00 C ATOM 867 NH1 ARG A 53 9.352 1.235 -0.437 1.00 0.00 N ATOM 868 NH2 ARG A 53 10.986 -0.276 -0.974 1.00 0.00 N ATOM 0 H ARG A 53 4.505 3.280 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 53 5.028 0.654 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.809 2.592 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.127 2.836 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.371 0.144 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.774 0.759 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.775 1.665 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.802 2.561 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 53 10.268 0.147 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.609 1.874 -0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.581 1.125 0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.507 -0.806 -1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.209 -0.380 0.016 1.00 0.00 H new ATOM 882 N ASP A 54 6.904 1.889 1.067 1.00 0.00 N ATOM 883 CA ASP A 54 7.757 1.523 2.196 1.00 0.00 C ATOM 884 C ASP A 54 6.916 1.319 3.455 1.00 0.00 C ATOM 885 O ASP A 54 6.037 2.127 3.759 1.00 0.00 O ATOM 886 CB ASP A 54 8.825 2.596 2.447 1.00 0.00 C ATOM 887 CG ASP A 54 8.304 4.001 2.230 1.00 0.00 C ATOM 888 OD1 ASP A 54 7.690 4.555 3.162 1.00 0.00 O ATOM 889 OD2 ASP A 54 8.511 4.548 1.126 1.00 0.00 O ATOM 0 H ASP A 54 6.655 2.877 1.028 1.00 0.00 H new ATOM 0 HA ASP A 54 8.259 0.588 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.194 2.503 3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.673 2.421 1.785 1.00 0.00 H new ATOM 894 N PRO A 55 7.170 0.232 4.208 1.00 0.00 N ATOM 895 CA PRO A 55 6.423 -0.065 5.433 1.00 0.00 C ATOM 896 C PRO A 55 6.781 0.874 6.582 1.00 0.00 C ATOM 897 O PRO A 55 6.037 0.987 7.552 1.00 0.00 O ATOM 898 CB PRO A 55 6.845 -1.499 5.763 1.00 0.00 C ATOM 899 CG PRO A 55 8.201 -1.640 5.164 1.00 0.00 C ATOM 900 CD PRO A 55 8.198 -0.789 3.925 1.00 0.00 C ATOM 0 HA PRO A 55 5.349 0.060 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.868 -1.667 6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.148 -2.224 5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.972 -1.311 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.414 -2.681 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.174 -0.337 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.950 -1.373 3.038 1.00 0.00 H new ATOM 908 N GLN A 56 7.924 1.543 6.467 1.00 0.00 N ATOM 909 CA GLN A 56 8.384 2.470 7.499 1.00 0.00 C ATOM 910 C GLN A 56 7.438 3.657 7.652 1.00 0.00 C ATOM 911 O GLN A 56 7.173 4.112 8.765 1.00 0.00 O ATOM 912 CB GLN A 56 9.785 2.974 7.158 1.00 0.00 C ATOM 913 CG GLN A 56 10.897 2.069 7.657 1.00 0.00 C ATOM 914 CD GLN A 56 12.274 2.591 7.302 1.00 0.00 C ATOM 915 OE1 GLN A 56 12.415 3.488 6.469 1.00 0.00 O ATOM 916 NE2 GLN A 56 13.300 2.032 7.932 1.00 0.00 N ATOM 0 H GLN A 56 8.552 1.461 5.667 1.00 0.00 H new ATOM 0 HA GLN A 56 8.404 1.929 8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.871 3.078 6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.918 3.968 7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.819 1.966 8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.769 1.073 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.137 1.292 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.251 2.343 7.733 1.00 0.00 H new ATOM 925 N HIS A 57 6.932 4.151 6.530 1.00 0.00 N ATOM 926 CA HIS A 57 6.015 5.285 6.541 1.00 0.00 C ATOM 927 C HIS A 57 4.636 4.848 7.009 1.00 0.00 C ATOM 928 O HIS A 57 4.119 5.354 8.003 1.00 0.00 O ATOM 929 CB HIS A 57 5.921 5.906 5.148 1.00 0.00 C ATOM 930 CG HIS A 57 5.712 7.389 5.149 1.00 0.00 C ATOM 931 ND1 HIS A 57 5.732 8.146 3.995 1.00 0.00 N ATOM 932 CD2 HIS A 57 5.482 8.260 6.161 1.00 0.00 C ATOM 933 CE1 HIS A 57 5.528 9.415 4.295 1.00 0.00 C ATOM 934 NE2 HIS A 57 5.372 9.513 5.603 1.00 0.00 N ATOM 0 H HIS A 57 7.140 3.785 5.601 1.00 0.00 H new ATOM 0 HA HIS A 57 6.400 6.032 7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.835 5.680 4.599 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.100 5.435 4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.400 8.016 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.494 10.234 3.591 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.198 10.377 6.116 1.00 0.00 H new ATOM 942 N LEU A 58 4.053 3.912 6.279 1.00 0.00 N ATOM 943 CA LEU A 58 2.729 3.395 6.603 1.00 0.00 C ATOM 944 C LEU A 58 2.584 3.100 8.090 1.00 0.00 C ATOM 945 O LEU A 58 1.580 3.454 8.708 1.00 0.00 O ATOM 946 CB LEU A 58 2.455 2.128 5.806 1.00 0.00 C ATOM 947 CG LEU A 58 0.990 1.916 5.454 1.00 0.00 C ATOM 948 CD1 LEU A 58 0.841 1.670 3.967 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.396 0.763 6.255 1.00 0.00 C ATOM 0 H LEU A 58 4.477 3.491 5.452 1.00 0.00 H new ATOM 0 HA LEU A 58 2.004 4.165 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.037 2.159 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.807 1.269 6.378 1.00 0.00 H new ATOM 0 HG LEU A 58 0.439 2.820 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.212 1.520 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.220 2.531 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.408 0.782 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.652 0.633 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.944 -0.153 6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.471 0.983 7.320 1.00 0.00 H new ATOM 961 N LEU A 59 3.591 2.450 8.658 1.00 0.00 N ATOM 962 CA LEU A 59 3.569 2.104 10.075 1.00 0.00 C ATOM 963 C LEU A 59 3.633 3.360 10.926 1.00 0.00 C ATOM 964 O LEU A 59 2.874 3.522 11.881 1.00 0.00 O ATOM 965 CB LEU A 59 4.739 1.179 10.418 1.00 0.00 C ATOM 966 CG LEU A 59 4.343 -0.201 10.941 1.00 0.00 C ATOM 967 CD1 LEU A 59 3.717 -1.029 9.830 1.00 0.00 C ATOM 968 CD2 LEU A 59 5.551 -0.914 11.526 1.00 0.00 C ATOM 0 H LEU A 59 4.431 2.152 8.162 1.00 0.00 H new ATOM 0 HA LEU A 59 2.636 1.582 10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.353 1.050 9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.362 1.669 11.166 1.00 0.00 H new ATOM 0 HG LEU A 59 3.604 -0.074 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.440 -2.009 10.218 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.827 -0.523 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.434 -1.150 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.251 -1.895 11.894 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.312 -1.032 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.957 -0.326 12.349 1.00 0.00 H new ATOM 980 N LYS A 60 4.543 4.251 10.561 1.00 0.00 N ATOM 981 CA LYS A 60 4.717 5.504 11.273 1.00 0.00 C ATOM 982 C LYS A 60 3.407 6.283 11.314 1.00 0.00 C ATOM 983 O LYS A 60 3.043 6.846 12.343 1.00 0.00 O ATOM 984 CB LYS A 60 5.812 6.337 10.603 1.00 0.00 C ATOM 985 CG LYS A 60 7.172 6.201 11.270 1.00 0.00 C ATOM 986 CD LYS A 60 8.300 6.619 10.336 1.00 0.00 C ATOM 987 CE LYS A 60 9.215 5.451 9.998 1.00 0.00 C ATOM 988 NZ LYS A 60 10.608 5.683 10.471 1.00 0.00 N ATOM 0 H LYS A 60 5.175 4.126 9.770 1.00 0.00 H new ATOM 0 HA LYS A 60 5.017 5.286 12.298 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.897 6.038 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.516 7.386 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.199 6.814 12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.322 5.168 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.879 7.029 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.882 7.414 10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.824 4.540 10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.219 5.293 8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.200 4.865 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.990 6.538 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.608 5.808 11.503 1.00 0.00 H new ATOM 1002 N PHE A 61 2.699 6.302 10.186 1.00 0.00 N ATOM 1003 CA PHE A 61 1.423 7.004 10.088 1.00 0.00 C ATOM 1004 C PHE A 61 0.347 6.294 10.908 1.00 0.00 C ATOM 1005 O PHE A 61 -0.509 6.936 11.515 1.00 0.00 O ATOM 1006 CB PHE A 61 0.989 7.115 8.625 1.00 0.00 C ATOM 1007 CG PHE A 61 0.277 8.402 8.300 1.00 0.00 C ATOM 1008 CD1 PHE A 61 -0.635 8.951 9.190 1.00 0.00 C ATOM 1009 CD2 PHE A 61 0.523 9.063 7.108 1.00 0.00 C ATOM 1010 CE1 PHE A 61 -1.286 10.134 8.895 1.00 0.00 C ATOM 1011 CE2 PHE A 61 -0.127 10.245 6.807 1.00 0.00 C ATOM 1012 CZ PHE A 61 -1.033 10.781 7.703 1.00 0.00 C ATOM 0 H PHE A 61 2.989 5.838 9.326 1.00 0.00 H new ATOM 0 HA PHE A 61 1.554 8.008 10.493 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.868 7.025 7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.334 6.277 8.385 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.838 8.448 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.231 8.650 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.992 10.552 9.597 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.073 10.749 5.873 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.542 11.705 7.470 1.00 0.00 H new ATOM 1022 N LEU A 62 0.398 4.966 10.927 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.573 4.178 11.675 1.00 0.00 C ATOM 1024 C LEU A 62 -0.570 4.579 13.151 1.00 0.00 C ATOM 1025 O LEU A 62 -1.614 4.911 13.706 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.252 2.686 11.544 1.00 0.00 C ATOM 1027 CG LEU A 62 -1.448 1.742 11.693 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -2.156 1.560 10.358 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -1.001 0.396 12.252 1.00 0.00 C ATOM 0 H LEU A 62 1.100 4.415 10.434 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.563 4.371 11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.206 2.514 10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.492 2.424 12.296 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.152 2.188 12.395 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.003 0.886 10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.511 2.526 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.461 1.137 9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.865 -0.262 12.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.276 -0.056 11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.542 0.542 13.230 1.00 0.00 H new ATOM 1041 N LEU A 63 0.603 4.549 13.775 1.00 0.00 N ATOM 1042 CA LEU A 63 0.732 4.909 15.187 1.00 0.00 C ATOM 1043 C LEU A 63 0.567 6.415 15.400 1.00 0.00 C ATOM 1044 O LEU A 63 0.081 6.854 16.442 1.00 0.00 O ATOM 1045 CB LEU A 63 2.089 4.447 15.719 1.00 0.00 C ATOM 1046 CG LEU A 63 2.415 2.970 15.476 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.835 2.653 15.919 1.00 0.00 C ATOM 1048 CD2 LEU A 63 1.417 2.076 16.198 1.00 0.00 C ATOM 0 H LEU A 63 1.479 4.280 13.327 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.064 4.407 15.737 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.868 5.055 15.259 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.126 4.639 16.791 1.00 0.00 H new ATOM 0 HG LEU A 63 2.340 2.775 14.406 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.046 1.599 15.738 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.538 3.266 15.355 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.940 2.866 16.983 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.665 1.031 16.013 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.458 2.275 17.269 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.412 2.281 15.829 1.00 0.00 H new ATOM 1060 N ARG A 64 0.984 7.203 14.413 1.00 0.00 N ATOM 1061 CA ARG A 64 0.888 8.659 14.506 1.00 0.00 C ATOM 1062 C ARG A 64 -0.564 9.108 14.640 1.00 0.00 C ATOM 1063 O ARG A 64 -0.852 10.126 15.270 1.00 0.00 O ATOM 1064 CB ARG A 64 1.529 9.330 13.290 1.00 0.00 C ATOM 1065 CG ARG A 64 2.437 10.494 13.652 1.00 0.00 C ATOM 1066 CD ARG A 64 3.874 10.044 13.865 1.00 0.00 C ATOM 1067 NE ARG A 64 4.826 11.084 13.487 1.00 0.00 N ATOM 1068 CZ ARG A 64 4.965 11.529 12.242 1.00 0.00 C ATOM 1069 NH1 ARG A 64 4.211 11.032 11.270 1.00 0.00 N ATOM 1070 NH2 ARG A 64 5.852 12.476 11.968 1.00 0.00 N ATOM 0 H ARG A 64 1.390 6.861 13.542 1.00 0.00 H new ATOM 0 HA ARG A 64 1.430 8.964 15.401 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.105 8.588 12.736 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.743 9.685 12.624 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.404 11.241 12.859 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.068 10.974 14.558 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.021 9.779 14.912 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.065 9.145 13.279 1.00 0.00 H new ATOM 0 HE ARG A 64 5.414 11.490 14.215 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.524 10.308 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.319 11.374 10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.430 12.865 12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.957 12.816 11.012 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.476 8.346 14.047 1.00 0.00 N ATOM 1085 CA GLU A 65 -2.898 8.670 14.105 1.00 0.00 C ATOM 1086 C GLU A 65 -3.611 7.802 15.135 1.00 0.00 C ATOM 1087 O GLU A 65 -4.582 8.229 15.758 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.541 8.484 12.730 1.00 0.00 C ATOM 1089 CG GLU A 65 -3.863 9.790 12.026 1.00 0.00 C ATOM 1090 CD GLU A 65 -5.292 10.239 12.258 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -6.215 9.431 12.020 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -5.489 11.399 12.676 1.00 0.00 O ATOM 0 H GLU A 65 -1.257 7.500 13.521 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.996 9.713 14.405 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.871 7.898 12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.458 7.906 12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.181 10.565 12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.692 9.674 10.956 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.121 6.578 15.311 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.713 5.650 16.266 1.00 0.00 C ATOM 1101 C LEU A 66 -3.728 6.252 17.670 1.00 0.00 C ATOM 1102 O LEU A 66 -2.761 6.125 18.421 1.00 0.00 O ATOM 1103 CB LEU A 66 -2.942 4.326 16.266 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.659 3.151 15.592 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.036 3.494 14.158 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.797 1.897 15.638 1.00 0.00 C ATOM 0 H LEU A 66 -2.317 6.207 14.805 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.743 5.459 15.964 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.986 4.481 15.767 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.722 4.052 17.298 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.578 2.954 16.144 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.543 2.644 13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.700 4.358 14.153 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.135 3.726 13.590 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.325 1.075 15.154 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.858 2.082 15.117 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.591 1.635 16.676 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.834 6.906 18.021 1.00 0.00 N ATOM 1119 CA GLY A 67 -4.955 7.513 19.335 1.00 0.00 C ATOM 1120 C GLY A 67 -5.207 6.493 20.434 1.00 0.00 C ATOM 1121 O GLY A 67 -5.315 6.851 21.607 1.00 0.00 O ATOM 0 H GLY A 67 -5.648 7.026 17.418 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.043 8.065 19.560 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.771 8.236 19.323 1.00 0.00 H new ATOM 1125 N THR A 68 -5.304 5.222 20.054 1.00 0.00 N ATOM 1126 CA THR A 68 -5.545 4.146 21.008 1.00 0.00 C ATOM 1127 C THR A 68 -4.312 3.259 21.120 1.00 0.00 C ATOM 1128 O THR A 68 -3.369 3.399 20.341 1.00 0.00 O ATOM 1129 CB THR A 68 -6.787 3.318 20.620 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.440 2.155 19.887 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.802 4.087 19.799 1.00 0.00 C ATOM 0 H THR A 68 -5.219 4.912 19.086 1.00 0.00 H new ATOM 0 HA THR A 68 -5.744 4.592 21.982 1.00 0.00 H new ATOM 0 HB THR A 68 -7.237 3.052 21.576 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.760 2.381 19.218 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.647 3.439 19.565 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.152 4.948 20.368 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.338 4.428 18.873 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.326 2.361 22.104 1.00 0.00 N ATOM 1140 CA ALA A 69 -3.211 1.438 22.358 1.00 0.00 C ATOM 1141 C ALA A 69 -2.357 1.190 21.112 1.00 0.00 C ATOM 1142 O ALA A 69 -1.157 1.460 21.109 1.00 0.00 O ATOM 1143 CB ALA A 69 -3.741 0.119 22.903 1.00 0.00 C ATOM 0 H ALA A 69 -5.108 2.250 22.749 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.565 1.909 23.098 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.908 -0.559 23.088 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.276 0.299 23.835 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.419 -0.329 22.176 1.00 0.00 H new ATOM 1149 N GLY A 70 -2.983 0.683 20.057 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.262 0.418 18.826 1.00 0.00 C ATOM 1151 C GLY A 70 -1.471 -0.876 18.880 1.00 0.00 C ATOM 1152 O GLY A 70 -0.347 -0.905 19.379 1.00 0.00 O ATOM 0 H GLY A 70 -3.976 0.451 20.031 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.969 0.373 17.998 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.583 1.246 18.621 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.061 -1.949 18.361 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.405 -3.253 18.346 1.00 0.00 C ATOM 1158 C ASN A 71 -2.079 -4.188 17.350 1.00 0.00 C ATOM 1159 O ASN A 71 -3.166 -3.903 16.859 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.429 -3.883 19.739 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.226 -4.771 19.990 1.00 0.00 C ATOM 1162 OD1 ASN A 71 0.122 -5.613 19.161 1.00 0.00 O ATOM 1163 ND2 ASN A 71 0.419 -4.586 21.135 1.00 0.00 N ATOM 0 H ASN A 71 -2.992 -1.941 17.945 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.370 -3.102 18.041 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.459 -3.095 20.491 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.341 -4.469 19.855 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.238 -5.153 21.357 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.096 -3.877 21.793 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.431 -5.309 17.066 1.00 0.00 N ATOM 1171 CA LEU A 72 -1.977 -6.285 16.128 1.00 0.00 C ATOM 1172 C LEU A 72 -2.845 -7.303 16.864 1.00 0.00 C ATOM 1173 O LEU A 72 -2.361 -8.045 17.719 1.00 0.00 O ATOM 1174 CB LEU A 72 -0.864 -7.006 15.346 1.00 0.00 C ATOM 1175 CG LEU A 72 0.565 -6.811 15.867 1.00 0.00 C ATOM 1176 CD1 LEU A 72 0.895 -7.859 16.917 1.00 0.00 C ATOM 1177 CD2 LEU A 72 1.561 -6.867 14.719 1.00 0.00 C ATOM 0 H LEU A 72 -0.530 -5.566 17.469 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.592 -5.742 15.410 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.084 -8.073 15.342 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.900 -6.669 14.310 1.00 0.00 H new ATOM 0 HG LEU A 72 0.634 -5.828 16.332 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.913 -7.706 17.276 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.199 -7.770 17.751 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.811 -8.853 16.478 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.570 -6.727 15.106 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.493 -7.836 14.225 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.334 -6.078 14.002 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.130 -7.335 16.522 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.067 -8.265 17.144 1.00 0.00 C ATOM 1191 C GLU A 73 -5.378 -9.421 16.201 1.00 0.00 C ATOM 1192 O GLU A 73 -5.289 -9.279 14.980 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.363 -7.543 17.523 1.00 0.00 C ATOM 1194 CG GLU A 73 -6.605 -7.452 19.018 1.00 0.00 C ATOM 1195 CD GLU A 73 -7.220 -8.714 19.587 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -8.152 -9.258 18.956 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -6.770 -9.159 20.663 1.00 0.00 O ATOM 0 H GLU A 73 -4.546 -6.727 15.817 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.604 -8.662 18.048 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.340 -6.536 17.107 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.204 -8.060 17.060 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.660 -7.253 19.524 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.262 -6.607 19.225 1.00 0.00 H new ATOM 1204 N GLY A 74 -5.742 -10.562 16.778 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.065 -11.728 15.979 1.00 0.00 C ATOM 1206 C GLY A 74 -4.922 -12.145 15.075 1.00 0.00 C ATOM 1207 O GLY A 74 -3.894 -11.470 15.010 1.00 0.00 O ATOM 0 H GLY A 74 -5.819 -10.699 17.786 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.324 -12.556 16.638 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.946 -11.517 15.372 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.103 -13.260 14.374 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.072 -13.746 13.476 1.00 0.00 C ATOM 1213 C GLY A 75 -3.701 -12.729 12.409 1.00 0.00 C ATOM 1214 O GLY A 75 -2.622 -12.804 11.823 1.00 0.00 O ATOM 0 H GLY A 75 -5.945 -13.835 14.412 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.184 -14.002 14.053 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.416 -14.662 12.996 1.00 0.00 H new ATOM 1218 N ARG A 76 -4.597 -11.776 12.159 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.354 -10.740 11.158 1.00 0.00 C ATOM 1220 C ARG A 76 -3.804 -9.474 11.812 1.00 0.00 C ATOM 1221 O ARG A 76 -3.285 -9.522 12.928 1.00 0.00 O ATOM 1222 CB ARG A 76 -5.647 -10.422 10.405 1.00 0.00 C ATOM 1223 CG ARG A 76 -5.507 -10.501 8.894 1.00 0.00 C ATOM 1224 CD ARG A 76 -6.717 -11.167 8.256 1.00 0.00 C ATOM 1225 NE ARG A 76 -7.038 -12.440 8.896 1.00 0.00 N ATOM 1226 CZ ARG A 76 -6.757 -13.630 8.371 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -6.159 -13.724 7.189 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -7.074 -14.733 9.032 1.00 0.00 N ATOM 0 H ARG A 76 -5.496 -11.700 12.635 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.613 -11.113 10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.424 -11.115 10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.980 -9.421 10.679 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.385 -9.498 8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.606 -11.060 8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.576 -10.500 8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.524 -11.332 7.196 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.507 -12.415 9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.911 -12.879 6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.948 -14.641 6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.532 -14.669 9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.860 -15.647 8.632 1.00 0.00 H new ATOM 1242 N ALA A 77 -3.923 -8.340 11.122 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.438 -7.076 11.658 1.00 0.00 C ATOM 1244 C ALA A 77 -4.598 -6.183 12.089 1.00 0.00 C ATOM 1245 O ALA A 77 -4.899 -5.180 11.441 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.565 -6.366 10.633 1.00 0.00 C ATOM 0 H ALA A 77 -4.349 -8.274 10.197 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.834 -7.289 12.540 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.210 -5.423 11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.712 -6.996 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.147 -6.170 9.733 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.250 -6.558 13.187 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.378 -5.789 13.701 1.00 0.00 C ATOM 1254 C ILE A 78 -5.907 -4.732 14.695 1.00 0.00 C ATOM 1255 O ILE A 78 -5.826 -4.986 15.894 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.424 -6.694 14.386 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.606 -8.003 13.613 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.754 -5.966 14.516 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.108 -9.146 14.469 1.00 0.00 C ATOM 0 H ILE A 78 -5.017 -7.386 13.735 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.845 -5.304 12.844 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.060 -6.937 15.384 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.307 -7.838 12.795 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.654 -8.286 13.165 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.480 -6.618 15.001 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.619 -5.065 15.115 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.117 -5.692 13.525 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.213 -10.041 13.856 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.397 -9.338 15.272 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.076 -8.883 14.896 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.588 -3.547 14.185 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.118 -2.451 15.025 1.00 0.00 C ATOM 1273 C LEU A 79 -6.284 -1.672 15.622 1.00 0.00 C ATOM 1274 O LEU A 79 -7.445 -1.972 15.355 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.233 -1.507 14.212 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.955 -0.783 13.076 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.450 0.579 13.537 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -4.044 -0.647 11.862 1.00 0.00 C ATOM 0 H LEU A 79 -5.647 -3.321 13.192 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.539 -2.881 15.842 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.802 -0.764 14.884 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.404 -2.077 13.793 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.821 -1.378 12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.961 1.078 12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.142 0.452 14.370 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.603 1.184 13.858 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.576 -0.129 11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.156 -0.077 12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.747 -1.637 11.517 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.961 -0.667 16.430 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.975 0.165 17.069 1.00 0.00 C ATOM 1292 C GLN A 80 -6.532 1.622 17.092 1.00 0.00 C ATOM 1293 O GLN A 80 -5.515 1.955 17.699 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.242 -0.311 18.499 1.00 0.00 C ATOM 1295 CG GLN A 80 -5.988 -0.716 19.255 1.00 0.00 C ATOM 1296 CD GLN A 80 -6.203 -1.934 20.129 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -6.275 -3.062 19.638 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -6.306 -1.713 21.435 1.00 0.00 N ATOM 0 H GLN A 80 -5.001 -0.408 16.658 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.894 0.080 16.490 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.745 0.484 19.049 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.926 -1.159 18.468 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.189 -0.921 18.543 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.657 0.117 19.875 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.240 -0.762 21.798 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.451 -2.494 22.075 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.296 2.486 16.431 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.953 3.896 16.398 1.00 0.00 C ATOM 1309 C GLY A 81 -7.908 4.719 15.559 1.00 0.00 C ATOM 1310 O GLY A 81 -9.101 4.801 15.856 1.00 0.00 O ATOM 0 H GLY A 81 -8.143 2.237 15.920 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.944 4.286 17.416 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.943 4.009 16.005 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.376 5.330 14.508 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.174 6.154 13.612 1.00 0.00 C ATOM 1316 C LYS A 82 -7.782 5.905 12.158 1.00 0.00 C ATOM 1317 O LYS A 82 -8.064 6.722 11.281 1.00 0.00 O ATOM 1318 CB LYS A 82 -8.006 7.636 13.960 1.00 0.00 C ATOM 1319 CG LYS A 82 -9.158 8.513 13.486 1.00 0.00 C ATOM 1320 CD LYS A 82 -9.893 9.161 14.652 1.00 0.00 C ATOM 1321 CE LYS A 82 -11.388 8.887 14.589 1.00 0.00 C ATOM 1322 NZ LYS A 82 -11.685 7.433 14.464 1.00 0.00 N ATOM 0 H LYS A 82 -6.390 5.269 14.255 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.222 5.881 13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.906 7.737 15.041 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.079 8.001 13.518 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.775 9.288 12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.857 7.912 12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.492 8.782 15.592 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.718 10.237 14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.866 9.279 15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.818 9.419 13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.574 7.217 14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.778 7.183 13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.911 6.883 14.888 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.139 4.764 11.906 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.722 4.400 10.558 1.00 0.00 C ATOM 1338 C PHE A 83 -7.783 3.520 9.905 1.00 0.00 C ATOM 1339 O PHE A 83 -7.481 2.497 9.290 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.363 3.689 10.588 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.259 4.520 10.005 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -3.876 5.709 10.602 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.617 4.118 8.850 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -2.868 6.478 10.053 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.613 4.883 8.295 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.239 6.065 8.898 1.00 0.00 C ATOM 0 H PHE A 83 -6.897 4.078 12.621 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.612 5.308 9.965 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.114 3.434 11.618 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.436 2.752 10.036 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.369 6.038 11.505 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.905 3.192 8.375 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.573 7.402 10.528 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.121 4.557 7.390 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.454 6.667 8.466 1.00 0.00 H new ATOM 1356 N THR A 84 -9.034 3.941 10.053 1.00 0.00 N ATOM 1357 CA THR A 84 -10.170 3.224 9.495 1.00 0.00 C ATOM 1358 C THR A 84 -10.250 3.444 7.987 1.00 0.00 C ATOM 1359 O THR A 84 -11.120 4.161 7.493 1.00 0.00 O ATOM 1360 CB THR A 84 -11.451 3.700 10.179 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.427 5.106 10.364 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.670 3.057 11.533 1.00 0.00 C ATOM 0 H THR A 84 -9.287 4.788 10.563 1.00 0.00 H new ATOM 0 HA THR A 84 -10.046 2.156 9.672 1.00 0.00 H new ATOM 0 HB THR A 84 -12.266 3.407 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.256 5.393 10.802 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.595 3.434 11.970 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.739 1.976 11.415 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.834 3.298 12.190 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.309 2.832 7.269 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.220 2.955 5.814 1.00 0.00 C ATOM 1372 C HIS A 85 -9.444 4.398 5.379 1.00 0.00 C ATOM 1373 O HIS A 85 -10.033 4.665 4.333 1.00 0.00 O ATOM 1374 CB HIS A 85 -10.244 2.035 5.144 1.00 0.00 C ATOM 1375 CG HIS A 85 -11.662 2.494 5.312 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -12.194 3.560 4.618 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -12.657 2.037 6.109 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -13.449 3.742 4.978 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -13.756 2.830 5.882 1.00 0.00 N ATOM 0 H HIS A 85 -8.588 2.238 7.678 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.219 2.656 5.504 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.017 1.966 4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.144 1.031 5.557 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -11.693 4.122 3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.598 1.205 6.795 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.112 4.506 4.599 1.00 0.00 H new ATOM 1387 N PHE A 86 -8.940 5.320 6.184 1.00 0.00 N ATOM 1388 CA PHE A 86 -9.055 6.738 5.895 1.00 0.00 C ATOM 1389 C PHE A 86 -7.842 7.227 5.121 1.00 0.00 C ATOM 1390 O PHE A 86 -7.891 7.406 3.904 1.00 0.00 O ATOM 1391 CB PHE A 86 -9.233 7.530 7.191 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.577 8.188 7.290 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -11.736 7.439 7.173 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.683 9.554 7.489 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -12.977 8.039 7.254 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -11.921 10.160 7.573 1.00 0.00 C ATOM 1397 CZ PHE A 86 -13.070 9.402 7.454 1.00 0.00 C ATOM 0 H PHE A 86 -8.444 5.108 7.049 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.936 6.897 5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.097 6.862 8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.455 8.291 7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.668 6.373 7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.788 10.152 7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.873 7.443 7.161 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.991 11.226 7.732 1.00 0.00 H new ATOM 0 HZ PHE A 86 -14.039 9.875 7.517 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.748 7.430 5.845 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.505 7.889 5.246 1.00 0.00 C ATOM 1409 C LEU A 87 -4.956 6.826 4.298 1.00 0.00 C ATOM 1410 O LEU A 87 -4.298 7.138 3.306 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.471 8.200 6.339 1.00 0.00 C ATOM 1412 CG LEU A 87 -4.637 9.546 7.064 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -4.401 10.709 6.113 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -6.012 9.661 7.709 1.00 0.00 C ATOM 0 H LEU A 87 -6.699 7.282 6.853 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.705 8.799 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.507 7.403 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.478 8.172 5.890 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.887 9.587 7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.524 11.649 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.389 10.651 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.120 10.662 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.098 10.623 8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.782 9.584 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.142 8.858 8.435 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.225 5.565 4.625 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.757 4.443 3.823 1.00 0.00 C ATOM 1428 C ILE A 88 -5.358 4.455 2.422 1.00 0.00 C ATOM 1429 O ILE A 88 -4.640 4.551 1.426 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.110 3.100 4.503 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.618 3.081 5.960 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.533 1.932 3.713 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -4.711 1.716 6.615 1.00 0.00 C ATOM 0 H ILE A 88 -5.768 5.296 5.445 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.675 4.547 3.741 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.195 2.995 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.582 3.419 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.202 3.794 6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.792 0.995 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.945 1.936 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.448 2.028 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.347 1.779 7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.749 1.384 6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.104 1.003 6.058 1.00 0.00 H new ATOM 1445 N ASN A 89 -6.680 4.350 2.351 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.381 4.330 1.071 1.00 0.00 C ATOM 1447 C ASN A 89 -7.062 5.560 0.225 1.00 0.00 C ATOM 1448 O ASN A 89 -6.840 5.450 -0.980 1.00 0.00 O ATOM 1449 CB ASN A 89 -8.892 4.236 1.300 1.00 0.00 C ATOM 1450 CG ASN A 89 -9.591 3.409 0.237 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.639 3.798 -0.281 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -9.016 2.259 -0.090 1.00 0.00 N ATOM 0 H ASN A 89 -7.289 4.277 3.166 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.036 3.452 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.081 3.797 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.317 5.240 1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.442 1.658 -0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.148 1.976 0.364 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.058 6.732 0.849 1.00 0.00 N ATOM 1460 CA GLU A 90 -6.781 7.976 0.133 1.00 0.00 C ATOM 1461 C GLU A 90 -5.462 7.900 -0.636 1.00 0.00 C ATOM 1462 O GLU A 90 -5.430 8.096 -1.851 1.00 0.00 O ATOM 1463 CB GLU A 90 -6.744 9.146 1.117 1.00 0.00 C ATOM 1464 CG GLU A 90 -6.455 10.489 0.468 1.00 0.00 C ATOM 1465 CD GLU A 90 -6.428 11.627 1.471 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -7.376 11.731 2.277 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -5.455 12.408 1.453 1.00 0.00 O ATOM 0 H GLU A 90 -7.242 6.849 1.845 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.581 8.132 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.701 9.203 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.984 8.948 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.496 10.441 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.213 10.694 -0.288 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.376 7.610 0.074 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.064 7.504 -0.557 1.00 0.00 C ATOM 1476 C ARG A 91 -3.066 6.415 -1.622 1.00 0.00 C ATOM 1477 O ARG A 91 -2.552 6.607 -2.726 1.00 0.00 O ATOM 1478 CB ARG A 91 -1.997 7.189 0.485 1.00 0.00 C ATOM 1479 CG ARG A 91 -0.702 7.963 0.293 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.461 8.942 1.430 1.00 0.00 C ATOM 1481 NE ARG A 91 0.292 10.111 0.987 1.00 0.00 N ATOM 1482 CZ ARG A 91 -0.154 10.973 0.078 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -1.355 10.811 -0.465 1.00 0.00 N ATOM 1484 NH2 ARG A 91 0.597 12.001 -0.285 1.00 0.00 N ATOM 0 H ARG A 91 -4.377 7.445 1.081 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.838 8.461 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.395 7.406 1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.779 6.121 0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.133 7.266 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.738 8.504 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.417 9.261 1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.082 8.442 2.232 1.00 0.00 H new ATOM 0 HE ARG A 91 1.211 10.276 1.397 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.939 10.023 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.693 11.475 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.518 12.132 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.254 12.662 -0.982 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.645 5.267 -1.283 1.00 0.00 N ATOM 1499 CA ILE A 92 -3.716 4.141 -2.208 1.00 0.00 C ATOM 1500 C ILE A 92 -4.336 4.573 -3.537 1.00 0.00 C ATOM 1501 O ILE A 92 -3.728 4.430 -4.593 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.550 2.996 -1.590 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.802 2.400 -0.396 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.878 1.915 -2.616 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.655 1.502 0.475 1.00 0.00 C ATOM 0 H ILE A 92 -4.072 5.092 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.702 3.787 -2.394 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.498 3.412 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.948 1.830 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.406 3.212 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.465 1.129 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.451 2.352 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.953 1.491 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.055 1.118 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.495 2.072 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.030 0.669 -0.119 1.00 0.00 H new ATOM 1517 N GLU A 93 -5.551 5.100 -3.470 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.261 5.551 -4.663 1.00 0.00 C ATOM 1519 C GLU A 93 -5.457 6.613 -5.408 1.00 0.00 C ATOM 1520 O GLU A 93 -5.556 6.743 -6.627 1.00 0.00 O ATOM 1521 CB GLU A 93 -7.636 6.105 -4.283 1.00 0.00 C ATOM 1522 CG GLU A 93 -8.554 6.335 -5.472 1.00 0.00 C ATOM 1523 CD GLU A 93 -9.680 7.299 -5.158 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -9.811 7.700 -3.982 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -10.431 7.657 -6.090 1.00 0.00 O ATOM 0 H GLU A 93 -6.068 5.227 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.392 4.694 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.118 5.413 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.504 7.047 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.971 6.722 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.975 5.382 -5.792 1.00 0.00 H new ATOM 1532 N ASP A 94 -4.659 7.373 -4.668 1.00 0.00 N ATOM 1533 CA ASP A 94 -3.843 8.422 -5.263 1.00 0.00 C ATOM 1534 C ASP A 94 -2.840 7.842 -6.254 1.00 0.00 C ATOM 1535 O ASP A 94 -2.732 8.310 -7.387 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.107 9.207 -4.175 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.528 10.663 -4.129 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -4.528 10.970 -3.448 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -2.856 11.494 -4.775 1.00 0.00 O ATOM 0 H ASP A 94 -4.560 7.282 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.507 9.097 -5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.297 8.746 -3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.033 9.147 -4.351 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.104 6.826 -5.821 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.107 6.193 -6.673 1.00 0.00 C ATOM 1546 C TYR A 95 -1.727 5.096 -7.534 1.00 0.00 C ATOM 1547 O TYR A 95 -1.677 5.158 -8.759 1.00 0.00 O ATOM 1548 CB TYR A 95 0.033 5.618 -5.827 1.00 0.00 C ATOM 1549 CG TYR A 95 1.407 5.976 -6.346 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.617 6.195 -7.701 1.00 0.00 C ATOM 1551 CD2 TYR A 95 2.490 6.099 -5.484 1.00 0.00 C ATOM 1552 CE1 TYR A 95 2.864 6.527 -8.185 1.00 0.00 C ATOM 1553 CE2 TYR A 95 3.744 6.431 -5.963 1.00 0.00 C ATOM 1554 CZ TYR A 95 3.923 6.645 -7.313 1.00 0.00 C ATOM 1555 OH TYR A 95 5.164 6.980 -7.794 1.00 0.00 O ATOM 0 H TYR A 95 -2.179 6.424 -4.887 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.705 6.958 -7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.066 5.980 -4.804 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.062 4.533 -5.792 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.789 6.104 -8.388 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.350 5.933 -4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.010 6.694 -9.242 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.578 6.522 -5.283 1.00 0.00 H new ATOM 0 HH TYR A 95 5.595 7.608 -7.177 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.314 4.094 -6.889 1.00 0.00 N ATOM 1566 CA VAL A 96 -2.941 2.989 -7.606 1.00 0.00 C ATOM 1567 C VAL A 96 -3.942 3.499 -8.634 1.00 0.00 C ATOM 1568 O VAL A 96 -3.985 3.014 -9.766 1.00 0.00 O ATOM 1569 CB VAL A 96 -3.656 2.018 -6.643 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -4.273 0.853 -7.407 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -2.691 1.509 -5.583 1.00 0.00 C ATOM 0 H VAL A 96 -2.369 4.024 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.141 2.453 -8.116 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.459 2.563 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.771 0.182 -6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.000 1.233 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.490 0.309 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.213 0.826 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.865 0.985 -6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.302 2.351 -5.011 1.00 0.00 H new ATOM 1581 N ASN A 97 -4.748 4.482 -8.243 1.00 0.00 N ATOM 1582 CA ASN A 97 -5.742 5.052 -9.141 1.00 0.00 C ATOM 1583 C ASN A 97 -5.360 6.469 -9.538 1.00 0.00 C ATOM 1584 O ASN A 97 -6.175 7.386 -9.467 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.125 5.039 -8.490 1.00 0.00 C ATOM 1586 CG ASN A 97 -7.507 3.663 -7.984 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -7.326 3.347 -6.808 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -8.034 2.833 -8.875 1.00 0.00 N ATOM 0 H ASN A 97 -4.731 4.898 -7.312 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.776 4.439 -10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.141 5.746 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.868 5.378 -9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.307 1.891 -8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.166 3.137 -9.840 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.118 6.639 -9.968 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.636 7.945 -10.392 1.00 0.00 C ATOM 1597 C LYS A 98 -4.083 8.243 -11.824 1.00 0.00 C ATOM 1598 O LYS A 98 -3.936 9.362 -12.306 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.106 8.019 -10.270 1.00 0.00 C ATOM 1600 CG LYS A 98 -1.338 7.524 -11.497 1.00 0.00 C ATOM 1601 CD LYS A 98 -1.108 6.020 -11.455 1.00 0.00 C ATOM 1602 CE LYS A 98 0.255 5.678 -10.873 1.00 0.00 C ATOM 1603 NZ LYS A 98 1.053 4.827 -11.796 1.00 0.00 N ATOM 0 H LYS A 98 -3.428 5.891 -10.032 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.067 8.703 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.821 9.053 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.796 7.433 -9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.892 7.781 -12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.378 8.036 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.888 5.549 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.187 5.611 -12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.801 6.597 -10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.125 5.160 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.975 4.616 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.544 3.939 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.199 5.331 -12.694 1.00 0.00 H new ATOM 1617 N PHE A 99 -4.623 7.233 -12.510 1.00 0.00 N ATOM 1618 CA PHE A 99 -5.071 7.408 -13.882 1.00 0.00 C ATOM 1619 C PHE A 99 -6.362 8.222 -13.950 1.00 0.00 C ATOM 1620 O PHE A 99 -6.430 9.219 -14.668 1.00 0.00 O ATOM 1621 CB PHE A 99 -5.237 6.053 -14.594 1.00 0.00 C ATOM 1622 CG PHE A 99 -6.005 5.008 -13.828 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -5.398 4.271 -12.822 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -7.331 4.747 -14.134 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -6.101 3.298 -12.134 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -8.038 3.778 -13.448 1.00 0.00 C ATOM 1627 CZ PHE A 99 -7.424 3.053 -12.447 1.00 0.00 C ATOM 0 H PHE A 99 -4.758 6.294 -12.136 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.297 7.969 -14.406 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.739 6.222 -15.547 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.247 5.658 -14.821 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.364 4.459 -12.573 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.818 5.308 -14.918 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.616 2.731 -11.353 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.072 3.588 -13.695 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.976 2.296 -11.910 1.00 0.00 H new ATOM 1637 N VAL A 100 -7.385 7.809 -13.209 1.00 0.00 N ATOM 1638 CA VAL A 100 -8.657 8.531 -13.210 1.00 0.00 C ATOM 1639 C VAL A 100 -8.626 9.721 -12.250 1.00 0.00 C ATOM 1640 O VAL A 100 -9.460 10.623 -12.337 1.00 0.00 O ATOM 1641 CB VAL A 100 -9.841 7.611 -12.838 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -11.161 8.373 -12.887 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -9.890 6.403 -13.762 1.00 0.00 C ATOM 0 H VAL A 100 -7.362 6.987 -12.605 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.802 8.895 -14.227 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.689 7.261 -11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.978 7.703 -12.621 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.128 9.203 -12.181 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.321 8.759 -13.894 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -10.730 5.767 -13.485 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.013 6.738 -14.792 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.962 5.838 -13.672 1.00 0.00 H new ATOM 1653 N ILE A 101 -7.667 9.718 -11.330 1.00 0.00 N ATOM 1654 CA ILE A 101 -7.545 10.796 -10.356 1.00 0.00 C ATOM 1655 C ILE A 101 -6.573 11.872 -10.842 1.00 0.00 C ATOM 1656 O ILE A 101 -6.889 13.061 -10.808 1.00 0.00 O ATOM 1657 CB ILE A 101 -7.092 10.254 -8.980 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -8.264 9.572 -8.264 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -6.523 11.372 -8.111 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -8.728 8.286 -8.918 1.00 0.00 C ATOM 0 H ILE A 101 -6.965 8.984 -11.239 1.00 0.00 H new ATOM 0 HA ILE A 101 -8.531 11.247 -10.244 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.305 9.520 -9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.972 9.359 -7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.102 10.267 -8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.212 10.963 -7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.663 11.819 -8.610 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.286 12.133 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.559 7.868 -8.350 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.053 8.493 -9.938 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.906 7.571 -8.938 1.00 0.00 H new ATOM 1672 N CYS A 102 -5.391 11.455 -11.292 1.00 0.00 N ATOM 1673 CA CYS A 102 -4.386 12.400 -11.774 1.00 0.00 C ATOM 1674 C CYS A 102 -4.596 12.736 -13.251 1.00 0.00 C ATOM 1675 O CYS A 102 -3.731 13.343 -13.882 1.00 0.00 O ATOM 1676 CB CYS A 102 -2.976 11.842 -11.567 1.00 0.00 C ATOM 1677 SG CYS A 102 -1.667 13.076 -11.743 1.00 0.00 S ATOM 0 H CYS A 102 -5.107 10.476 -11.333 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.497 13.316 -11.194 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.913 11.399 -10.573 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.804 11.040 -12.285 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.984 13.914 -12.685 1.00 0.00 H new ATOM 1682 N HIS A 103 -5.745 12.345 -13.797 1.00 0.00 N ATOM 1683 CA HIS A 103 -6.057 12.617 -15.194 1.00 0.00 C ATOM 1684 C HIS A 103 -5.041 11.965 -16.129 1.00 0.00 C ATOM 1685 O HIS A 103 -4.550 12.597 -17.065 1.00 0.00 O ATOM 1686 CB HIS A 103 -6.108 14.125 -15.441 1.00 0.00 C ATOM 1687 CG HIS A 103 -7.183 14.817 -14.664 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -7.003 16.036 -14.045 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -8.461 14.452 -14.403 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -8.119 16.390 -13.436 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -9.020 15.447 -13.639 1.00 0.00 N ATOM 0 H HIS A 103 -6.473 11.840 -13.292 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.035 12.186 -15.408 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.144 14.561 -15.181 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.264 14.307 -16.504 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.949 13.547 -14.734 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.269 17.296 -12.868 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.977 15.456 -13.286 1.00 0.00 H new ATOM 1699 N GLU A 104 -4.736 10.694 -15.874 1.00 0.00 N ATOM 1700 CA GLU A 104 -3.786 9.950 -16.696 1.00 0.00 C ATOM 1701 C GLU A 104 -2.516 10.761 -16.943 1.00 0.00 C ATOM 1702 O GLU A 104 -2.312 11.300 -18.031 1.00 0.00 O ATOM 1703 CB GLU A 104 -4.431 9.555 -18.030 1.00 0.00 C ATOM 1704 CG GLU A 104 -4.287 8.078 -18.354 1.00 0.00 C ATOM 1705 CD GLU A 104 -4.931 7.707 -19.675 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -5.908 8.377 -20.069 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -4.459 6.742 -20.314 1.00 0.00 O ATOM 0 H GLU A 104 -5.134 10.158 -15.103 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.509 9.045 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.490 9.812 -18.004 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.980 10.141 -18.831 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.229 7.818 -18.384 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.738 7.489 -17.556 1.00 0.00 H new ATOM 1714 N CYS A 105 -1.669 10.846 -15.927 1.00 0.00 N ATOM 1715 CA CYS A 105 -0.423 11.591 -16.036 1.00 0.00 C ATOM 1716 C CYS A 105 0.597 10.837 -16.886 1.00 0.00 C ATOM 1717 O CYS A 105 1.724 10.598 -16.447 1.00 0.00 O ATOM 1718 CB CYS A 105 0.152 11.854 -14.644 1.00 0.00 C ATOM 1719 SG CYS A 105 0.947 13.468 -14.467 1.00 0.00 S ATOM 0 H CYS A 105 -1.822 10.409 -15.018 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.638 12.541 -16.525 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.650 11.773 -13.910 1.00 0.00 H new ATOM 0 HB3 CYS A 105 0.878 11.076 -14.409 1.00 0.00 H new ATOM 0 HG CYS A 105 0.040 14.381 -14.284 1.00 0.00 H new ATOM 1724 N ASN A 106 0.206 10.476 -18.108 1.00 0.00 N ATOM 1725 CA ASN A 106 1.096 9.767 -19.015 1.00 0.00 C ATOM 1726 C ASN A 106 2.169 10.715 -19.556 1.00 0.00 C ATOM 1727 O ASN A 106 3.223 10.879 -18.942 1.00 0.00 O ATOM 1728 CB ASN A 106 0.286 9.124 -20.151 1.00 0.00 C ATOM 1729 CG ASN A 106 0.771 7.730 -20.490 1.00 0.00 C ATOM 1730 OD1 ASN A 106 0.963 6.894 -19.607 1.00 0.00 O ATOM 1731 ND2 ASN A 106 0.973 7.474 -21.776 1.00 0.00 N ATOM 0 H ASN A 106 -0.721 10.665 -18.489 1.00 0.00 H new ATOM 0 HA ASN A 106 1.603 8.970 -18.471 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.765 9.080 -19.864 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.348 9.753 -21.039 1.00 0.00 H new ATOM 0 HD21 ASN A 106 1.301 6.553 -22.067 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.800 8.198 -22.473 1.00 0.00 H new ATOM 1738 N ARG A 107 1.891 11.351 -20.697 1.00 0.00 N ATOM 1739 CA ARG A 107 2.829 12.293 -21.303 1.00 0.00 C ATOM 1740 C ARG A 107 2.359 13.751 -21.176 1.00 0.00 C ATOM 1741 O ARG A 107 2.281 14.462 -22.178 1.00 0.00 O ATOM 1742 CB ARG A 107 3.061 11.948 -22.777 1.00 0.00 C ATOM 1743 CG ARG A 107 1.793 11.595 -23.548 1.00 0.00 C ATOM 1744 CD ARG A 107 1.358 12.730 -24.462 1.00 0.00 C ATOM 1745 NE ARG A 107 -0.093 12.909 -24.452 1.00 0.00 N ATOM 1746 CZ ARG A 107 -0.952 12.065 -25.021 1.00 0.00 C ATOM 1747 NH1 ARG A 107 -0.510 10.988 -25.660 1.00 0.00 N ATOM 1748 NH2 ARG A 107 -2.257 12.300 -24.955 1.00 0.00 N ATOM 0 H ARG A 107 1.023 11.229 -21.218 1.00 0.00 H new ATOM 0 HA ARG A 107 3.767 12.201 -20.755 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.544 12.795 -23.264 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.754 11.108 -22.837 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.965 10.696 -24.140 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.992 11.365 -22.846 1.00 0.00 H new ATOM 0 HD2 ARG A 107 1.841 13.655 -24.147 1.00 0.00 H new ATOM 0 HD3 ARG A 107 1.692 12.526 -25.479 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.471 13.731 -23.980 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.492 10.804 -25.717 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.172 10.345 -26.094 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.602 13.127 -24.468 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.914 11.653 -25.391 1.00 0.00 H new ATOM 1762 N PRO A 108 2.044 14.239 -19.963 1.00 0.00 N ATOM 1763 CA PRO A 108 1.597 15.622 -19.784 1.00 0.00 C ATOM 1764 C PRO A 108 2.542 16.622 -20.438 1.00 0.00 C ATOM 1765 O PRO A 108 3.763 16.467 -20.379 1.00 0.00 O ATOM 1766 CB PRO A 108 1.608 15.812 -18.265 1.00 0.00 C ATOM 1767 CG PRO A 108 1.461 14.443 -17.702 1.00 0.00 C ATOM 1768 CD PRO A 108 2.096 13.502 -18.689 1.00 0.00 C ATOM 0 HA PRO A 108 0.624 15.793 -20.244 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.536 16.277 -17.933 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.793 16.460 -17.943 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.947 14.370 -16.729 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.410 14.196 -17.553 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.121 13.261 -18.408 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.552 12.560 -18.750 1.00 0.00 H new ATOM 1776 N ASP A 109 1.975 17.654 -21.060 1.00 0.00 N ATOM 1777 CA ASP A 109 2.774 18.687 -21.714 1.00 0.00 C ATOM 1778 C ASP A 109 3.198 19.756 -20.707 1.00 0.00 C ATOM 1779 O ASP A 109 3.453 20.903 -21.069 1.00 0.00 O ATOM 1780 CB ASP A 109 1.972 19.326 -22.853 1.00 0.00 C ATOM 1781 CG ASP A 109 2.858 20.019 -23.870 1.00 0.00 C ATOM 1782 OD1 ASP A 109 3.294 21.157 -23.601 1.00 0.00 O ATOM 1783 OD2 ASP A 109 3.111 19.424 -24.939 1.00 0.00 O ATOM 0 H ASP A 109 0.967 17.797 -21.125 1.00 0.00 H new ATOM 0 HA ASP A 109 3.671 18.224 -22.125 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.382 18.558 -23.353 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.269 20.047 -22.437 1.00 0.00 H new ATOM 1788 N THR A 110 3.267 19.364 -19.436 1.00 0.00 N ATOM 1789 CA THR A 110 3.650 20.265 -18.360 1.00 0.00 C ATOM 1790 C THR A 110 4.939 19.793 -17.700 1.00 0.00 C ATOM 1791 O THR A 110 5.484 18.749 -18.060 1.00 0.00 O ATOM 1792 CB THR A 110 2.529 20.363 -17.325 1.00 0.00 C ATOM 1793 OG1 THR A 110 2.871 21.276 -16.295 1.00 0.00 O ATOM 1794 CG2 THR A 110 2.189 19.036 -16.678 1.00 0.00 C ATOM 0 H THR A 110 3.059 18.414 -19.128 1.00 0.00 H new ATOM 0 HA THR A 110 3.822 21.254 -18.784 1.00 0.00 H new ATOM 0 HB THR A 110 1.656 20.708 -17.879 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.162 22.123 -16.692 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.386 19.179 -15.955 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.866 18.330 -17.443 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.069 18.643 -16.170 1.00 0.00 H new ATOM 1802 N ARG A 111 5.431 20.574 -16.748 1.00 0.00 N ATOM 1803 CA ARG A 111 6.670 20.236 -16.060 1.00 0.00 C ATOM 1804 C ARG A 111 6.406 19.363 -14.842 1.00 0.00 C ATOM 1805 O ARG A 111 6.048 19.851 -13.770 1.00 0.00 O ATOM 1806 CB ARG A 111 7.405 21.508 -15.635 1.00 0.00 C ATOM 1807 CG ARG A 111 8.547 21.884 -16.562 1.00 0.00 C ATOM 1808 CD ARG A 111 9.892 21.802 -15.858 1.00 0.00 C ATOM 1809 NE ARG A 111 10.903 21.145 -16.684 1.00 0.00 N ATOM 1810 CZ ARG A 111 11.998 20.566 -16.197 1.00 0.00 C ATOM 1811 NH1 ARG A 111 12.233 20.564 -14.890 1.00 0.00 N ATOM 1812 NH2 ARG A 111 12.862 19.987 -17.020 1.00 0.00 N ATOM 0 H ARG A 111 4.994 21.441 -16.436 1.00 0.00 H new ATOM 0 HA ARG A 111 7.293 19.674 -16.755 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.694 22.333 -15.594 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.795 21.373 -14.626 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.548 21.220 -17.427 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.393 22.896 -16.937 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.229 22.807 -15.603 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.778 21.256 -14.921 1.00 0.00 H new ATOM 0 HE ARG A 111 10.761 21.129 -17.694 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.572 21.008 -14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 111 13.074 20.118 -14.524 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.687 19.986 -18.025 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.702 19.543 -16.648 1.00 0.00 H new ATOM 1826 N ILE A 112 6.596 18.056 -15.021 1.00 0.00 N ATOM 1827 CA ILE A 112 6.394 17.096 -13.948 1.00 0.00 C ATOM 1828 C ILE A 112 7.729 16.645 -13.366 1.00 0.00 C ATOM 1829 O ILE A 112 8.676 16.358 -14.102 1.00 0.00 O ATOM 1830 CB ILE A 112 5.612 15.857 -14.427 1.00 0.00 C ATOM 1831 CG1 ILE A 112 4.310 16.278 -15.114 1.00 0.00 C ATOM 1832 CG2 ILE A 112 5.323 14.928 -13.255 1.00 0.00 C ATOM 1833 CD1 ILE A 112 3.386 17.079 -14.224 1.00 0.00 C ATOM 0 H ILE A 112 6.891 17.641 -15.905 1.00 0.00 H new ATOM 0 HA ILE A 112 5.810 17.602 -13.180 1.00 0.00 H new ATOM 0 HB ILE A 112 6.223 15.319 -15.152 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.550 16.868 -15.998 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.786 15.386 -15.458 1.00 0.00 H new ATOM 0 HG21 ILE A 112 4.770 14.058 -13.608 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.263 14.604 -12.807 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.729 15.457 -12.509 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.485 17.342 -14.778 1.00 0.00 H new ATOM 0 HD12 ILE A 112 3.115 16.484 -13.352 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.891 17.989 -13.900 1.00 0.00 H new ATOM 1845 N ILE A 113 7.797 16.582 -12.043 1.00 0.00 N ATOM 1846 CA ILE A 113 9.017 16.163 -11.360 1.00 0.00 C ATOM 1847 C ILE A 113 8.688 15.261 -10.179 1.00 0.00 C ATOM 1848 O ILE A 113 7.747 15.529 -9.436 1.00 0.00 O ATOM 1849 CB ILE A 113 9.828 17.377 -10.857 1.00 0.00 C ATOM 1850 CG1 ILE A 113 8.933 18.328 -10.056 1.00 0.00 C ATOM 1851 CG2 ILE A 113 10.480 18.108 -12.026 1.00 0.00 C ATOM 1852 CD1 ILE A 113 9.215 18.314 -8.569 1.00 0.00 C ATOM 0 H ILE A 113 7.023 16.815 -11.420 1.00 0.00 H new ATOM 0 HA ILE A 113 9.619 15.614 -12.084 1.00 0.00 H new ATOM 0 HB ILE A 113 10.617 17.014 -10.198 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.065 19.342 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.890 18.059 -10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.047 18.960 -11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.151 17.428 -12.551 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.709 18.458 -12.712 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.545 19.010 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.055 17.309 -8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.248 18.612 -8.392 1.00 0.00 H new ATOM 1864 N ARG A 114 9.462 14.188 -10.014 1.00 0.00 N ATOM 1865 CA ARG A 114 9.246 13.240 -8.921 1.00 0.00 C ATOM 1866 C ARG A 114 10.508 13.104 -8.070 1.00 0.00 C ATOM 1867 O ARG A 114 11.603 12.890 -8.591 1.00 0.00 O ATOM 1868 CB ARG A 114 8.779 11.885 -9.488 1.00 0.00 C ATOM 1869 CG ARG A 114 9.149 10.657 -8.675 1.00 0.00 C ATOM 1870 CD ARG A 114 9.270 9.446 -9.588 1.00 0.00 C ATOM 1871 NE ARG A 114 10.230 9.660 -10.664 1.00 0.00 N ATOM 1872 CZ ARG A 114 10.604 8.712 -11.518 1.00 0.00 C ATOM 1873 NH1 ARG A 114 10.087 7.491 -11.436 1.00 0.00 N ATOM 1874 NH2 ARG A 114 11.495 8.984 -12.457 1.00 0.00 N ATOM 0 H ARG A 114 10.245 13.954 -10.624 1.00 0.00 H new ATOM 0 HA ARG A 114 8.460 13.615 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.694 11.913 -9.593 1.00 0.00 H new ATOM 0 HB3 ARG A 114 9.194 11.771 -10.490 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.092 10.826 -8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 114 8.392 10.474 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.573 8.579 -9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.294 9.216 -10.015 1.00 0.00 H new ATOM 0 HE ARG A 114 10.638 10.589 -10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.399 7.276 -10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.378 6.769 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 114 11.894 9.920 -12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 114 11.783 8.258 -13.113 1.00 0.00 H new ATOM 1888 N GLU A 115 10.339 13.250 -6.757 1.00 0.00 N ATOM 1889 CA GLU A 115 11.453 13.168 -5.814 1.00 0.00 C ATOM 1890 C GLU A 115 11.159 12.184 -4.683 1.00 0.00 C ATOM 1891 O GLU A 115 10.009 12.009 -4.275 1.00 0.00 O ATOM 1892 CB GLU A 115 11.764 14.552 -5.234 1.00 0.00 C ATOM 1893 CG GLU A 115 10.529 15.400 -4.965 1.00 0.00 C ATOM 1894 CD GLU A 115 10.549 16.042 -3.592 1.00 0.00 C ATOM 1895 OE1 GLU A 115 11.139 15.446 -2.667 1.00 0.00 O ATOM 1896 OE2 GLU A 115 9.976 17.142 -3.442 1.00 0.00 O ATOM 0 H GLU A 115 9.435 13.427 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 115 12.322 12.804 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.318 14.429 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.416 15.086 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.455 16.178 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.639 14.778 -5.058 1.00 0.00 H new ATOM 1903 N GLY A 116 12.208 11.537 -4.187 1.00 0.00 N ATOM 1904 CA GLY A 116 12.048 10.578 -3.111 1.00 0.00 C ATOM 1905 C GLY A 116 11.850 9.166 -3.617 1.00 0.00 C ATOM 1906 O GLY A 116 10.942 8.461 -3.173 1.00 0.00 O ATOM 0 H GLY A 116 13.167 11.660 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.927 10.610 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.193 10.864 -2.498 1.00 0.00 H new ATOM 1910 N ARG A 117 12.704 8.750 -4.551 1.00 0.00 N ATOM 1911 CA ARG A 117 12.627 7.410 -5.126 1.00 0.00 C ATOM 1912 C ARG A 117 11.185 7.048 -5.479 1.00 0.00 C ATOM 1913 O ARG A 117 10.565 6.226 -4.806 1.00 0.00 O ATOM 1914 CB ARG A 117 13.210 6.382 -4.149 1.00 0.00 C ATOM 1915 CG ARG A 117 13.355 4.987 -4.737 1.00 0.00 C ATOM 1916 CD ARG A 117 14.613 4.866 -5.582 1.00 0.00 C ATOM 1917 NE ARG A 117 15.828 4.970 -4.776 1.00 0.00 N ATOM 1918 CZ ARG A 117 16.941 5.581 -5.178 1.00 0.00 C ATOM 1919 NH1 ARG A 117 17.020 6.117 -6.391 1.00 0.00 N ATOM 1920 NH2 ARG A 117 17.985 5.647 -4.363 1.00 0.00 N ATOM 0 H ARG A 117 13.459 9.324 -4.926 1.00 0.00 H new ATOM 0 HA ARG A 117 13.214 7.398 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 117 14.188 6.728 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 117 12.571 6.330 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 117 13.384 4.253 -3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 117 12.482 4.756 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 117 14.607 3.910 -6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 117 14.615 5.647 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 117 15.823 4.548 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 117 16.223 6.063 -7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 117 17.878 6.583 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 117 17.933 5.231 -3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 117 18.840 6.114 -4.666 1.00 0.00 H new ATOM 1934 N ILE A 118 10.661 7.684 -6.529 1.00 0.00 N ATOM 1935 CA ILE A 118 9.291 7.452 -6.985 1.00 0.00 C ATOM 1936 C ILE A 118 8.296 7.446 -5.829 1.00 0.00 C ATOM 1937 O ILE A 118 7.744 6.412 -5.455 1.00 0.00 O ATOM 1938 CB ILE A 118 9.178 6.160 -7.834 1.00 0.00 C ATOM 1939 CG1 ILE A 118 7.884 6.196 -8.654 1.00 0.00 C ATOM 1940 CG2 ILE A 118 9.257 4.906 -6.967 1.00 0.00 C ATOM 1941 CD1 ILE A 118 7.492 4.865 -9.270 1.00 0.00 C ATOM 0 H ILE A 118 11.172 8.371 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 118 9.030 8.291 -7.630 1.00 0.00 H new ATOM 0 HB ILE A 118 10.026 6.118 -8.518 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.072 6.538 -8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.994 6.932 -9.450 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.174 4.021 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.211 4.888 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.442 4.913 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.565 4.983 -9.832 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.282 4.527 -9.940 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.346 4.128 -8.481 1.00 0.00 H new ATOM 1953 N SER A 119 8.068 8.632 -5.273 1.00 0.00 N ATOM 1954 CA SER A 119 7.136 8.786 -4.160 1.00 0.00 C ATOM 1955 C SER A 119 6.448 10.156 -4.171 1.00 0.00 C ATOM 1956 O SER A 119 5.322 10.293 -3.692 1.00 0.00 O ATOM 1957 CB SER A 119 7.863 8.581 -2.827 1.00 0.00 C ATOM 1958 OG SER A 119 8.371 7.261 -2.718 1.00 0.00 O ATOM 0 H SER A 119 8.514 9.499 -5.574 1.00 0.00 H new ATOM 0 HA SER A 119 6.364 8.025 -4.277 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.681 9.297 -2.742 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.179 8.780 -2.002 1.00 0.00 H new ATOM 0 HG SER A 119 9.346 7.276 -2.820 1.00 0.00 H new ATOM 1964 N LEU A 120 7.133 11.166 -4.707 1.00 0.00 N ATOM 1965 CA LEU A 120 6.587 12.524 -4.761 1.00 0.00 C ATOM 1966 C LEU A 120 6.585 13.049 -6.190 1.00 0.00 C ATOM 1967 O LEU A 120 7.367 12.598 -7.023 1.00 0.00 O ATOM 1968 CB LEU A 120 7.419 13.483 -3.898 1.00 0.00 C ATOM 1969 CG LEU A 120 7.387 13.262 -2.379 1.00 0.00 C ATOM 1970 CD1 LEU A 120 5.961 13.225 -1.859 1.00 0.00 C ATOM 1971 CD2 LEU A 120 8.144 11.998 -1.988 1.00 0.00 C ATOM 0 H LEU A 120 8.065 11.071 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 120 5.566 12.477 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.456 13.421 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.081 14.499 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 120 7.890 14.109 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.971 13.067 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.467 14.171 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.419 12.410 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.103 11.869 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.687 11.136 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.184 12.084 -2.304 1.00 0.00 H new ATOM 1983 N LEU A 121 5.706 14.013 -6.468 1.00 0.00 N ATOM 1984 CA LEU A 121 5.621 14.608 -7.800 1.00 0.00 C ATOM 1985 C LEU A 121 4.674 15.813 -7.824 1.00 0.00 C ATOM 1986 O LEU A 121 3.743 15.894 -7.025 1.00 0.00 O ATOM 1987 CB LEU A 121 5.190 13.565 -8.841 1.00 0.00 C ATOM 1988 CG LEU A 121 3.941 12.746 -8.490 1.00 0.00 C ATOM 1989 CD1 LEU A 121 3.111 12.474 -9.740 1.00 0.00 C ATOM 1990 CD2 LEU A 121 4.327 11.434 -7.823 1.00 0.00 C ATOM 0 H LEU A 121 5.046 14.396 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 121 6.618 14.964 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.012 14.076 -9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.019 12.876 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 121 3.341 13.327 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.229 11.892 -9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.800 13.420 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.709 11.915 -10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 121 3.426 10.869 -7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 121 4.951 10.851 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.881 11.641 -6.907 1.00 0.00 H new ATOM 2002 N LYS A 122 4.931 16.754 -8.744 1.00 0.00 N ATOM 2003 CA LYS A 122 4.109 17.965 -8.875 1.00 0.00 C ATOM 2004 C LYS A 122 3.260 17.924 -10.146 1.00 0.00 C ATOM 2005 O LYS A 122 3.708 17.430 -11.182 1.00 0.00 O ATOM 2006 CB LYS A 122 5.000 19.213 -8.887 1.00 0.00 C ATOM 2007 CG LYS A 122 4.751 20.149 -7.713 1.00 0.00 C ATOM 2008 CD LYS A 122 5.652 21.381 -7.757 1.00 0.00 C ATOM 2009 CE LYS A 122 7.128 21.015 -7.862 1.00 0.00 C ATOM 2010 NZ LYS A 122 7.852 21.223 -6.577 1.00 0.00 N ATOM 0 H LYS A 122 5.703 16.699 -9.409 1.00 0.00 H new ATOM 0 HA LYS A 122 3.439 18.007 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.045 18.903 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.836 19.758 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.707 20.464 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.919 19.611 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.373 22.002 -8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.491 21.978 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.221 19.972 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.595 21.616 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.411 22.098 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.165 21.299 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.486 20.417 -6.401 1.00 0.00 H new ATOM 2024 N CYS A 123 2.032 18.448 -10.057 1.00 0.00 N ATOM 2025 CA CYS A 123 1.121 18.468 -11.203 1.00 0.00 C ATOM 2026 C CYS A 123 0.288 19.747 -11.238 1.00 0.00 C ATOM 2027 O CYS A 123 -0.908 19.727 -10.947 1.00 0.00 O ATOM 2028 CB CYS A 123 0.192 17.256 -11.156 1.00 0.00 C ATOM 2029 SG CYS A 123 1.038 15.682 -11.435 1.00 0.00 S ATOM 0 H CYS A 123 1.649 18.862 -9.207 1.00 0.00 H new ATOM 0 HA CYS A 123 1.729 18.433 -12.107 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -0.303 17.226 -10.185 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -0.588 17.378 -11.908 1.00 0.00 H new ATOM 0 HG CYS A 123 0.158 14.735 -11.571 1.00 0.00 H new ATOM 2034 N GLU A 124 0.919 20.857 -11.604 1.00 0.00 N ATOM 2035 CA GLU A 124 0.225 22.137 -11.681 1.00 0.00 C ATOM 2036 C GLU A 124 -0.723 22.179 -12.879 1.00 0.00 C ATOM 2037 O GLU A 124 -1.731 22.885 -12.861 1.00 0.00 O ATOM 2038 CB GLU A 124 1.237 23.282 -11.773 1.00 0.00 C ATOM 2039 CG GLU A 124 0.918 24.452 -10.854 1.00 0.00 C ATOM 2040 CD GLU A 124 0.490 25.696 -11.611 1.00 0.00 C ATOM 2041 OE1 GLU A 124 0.355 25.624 -12.850 1.00 0.00 O ATOM 2042 OE2 GLU A 124 0.287 26.744 -10.962 1.00 0.00 O ATOM 0 H GLU A 124 1.908 20.896 -11.852 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.368 22.255 -10.774 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.229 22.900 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.276 23.639 -12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 124 0.125 24.161 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.796 24.684 -10.251 1.00 0.00 H new ATOM 2049 N ALA A 125 -0.391 21.423 -13.920 1.00 0.00 N ATOM 2050 CA ALA A 125 -1.213 21.381 -15.124 1.00 0.00 C ATOM 2051 C ALA A 125 -2.460 20.530 -14.917 1.00 0.00 C ATOM 2052 O ALA A 125 -3.576 21.049 -14.881 1.00 0.00 O ATOM 2053 CB ALA A 125 -0.404 20.859 -16.299 1.00 0.00 C ATOM 0 H ALA A 125 0.440 20.832 -13.955 1.00 0.00 H new ATOM 0 HA ALA A 125 -1.537 22.399 -15.343 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -1.031 20.834 -17.190 1.00 0.00 H new ATOM 0 HB2 ALA A 125 0.448 21.515 -16.474 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -0.048 19.853 -16.077 1.00 0.00 H new ATOM 2059 N CYS A 126 -2.271 19.220 -14.784 1.00 0.00 N ATOM 2060 CA CYS A 126 -3.393 18.308 -14.584 1.00 0.00 C ATOM 2061 C CYS A 126 -3.871 18.336 -13.135 1.00 0.00 C ATOM 2062 O CYS A 126 -3.904 17.308 -12.459 1.00 0.00 O ATOM 2063 CB CYS A 126 -3.010 16.879 -14.985 1.00 0.00 C ATOM 2064 SG CYS A 126 -1.691 16.148 -13.987 1.00 0.00 S ATOM 0 H CYS A 126 -1.357 18.768 -14.811 1.00 0.00 H new ATOM 0 HA CYS A 126 -4.210 18.643 -15.222 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -3.895 16.246 -14.915 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -2.700 16.879 -16.030 1.00 0.00 H new ATOM 0 HG CYS A 126 -2.036 16.164 -12.734 1.00 0.00 H new ATOM 2069 N GLY A 127 -4.249 19.521 -12.666 1.00 0.00 N ATOM 2070 CA GLY A 127 -4.729 19.659 -11.305 1.00 0.00 C ATOM 2071 C GLY A 127 -3.637 20.051 -10.332 1.00 0.00 C ATOM 2072 O GLY A 127 -3.074 21.143 -10.423 1.00 0.00 O ATOM 0 H GLY A 127 -4.231 20.387 -13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -5.519 20.409 -11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.173 18.717 -10.984 1.00 0.00 H new ATOM 2076 N ALA A 128 -3.341 19.159 -9.392 1.00 0.00 N ATOM 2077 CA ALA A 128 -2.314 19.415 -8.391 1.00 0.00 C ATOM 2078 C ALA A 128 -1.706 18.114 -7.880 1.00 0.00 C ATOM 2079 O ALA A 128 -2.373 17.081 -7.834 1.00 0.00 O ATOM 2080 CB ALA A 128 -2.894 20.219 -7.238 1.00 0.00 C ATOM 0 H ALA A 128 -3.799 18.252 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.519 19.994 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.117 20.404 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.273 21.170 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.709 19.660 -6.778 1.00 0.00 H new ATOM 2086 N LYS A 129 -0.439 18.168 -7.489 1.00 0.00 N ATOM 2087 CA LYS A 129 0.249 16.992 -6.973 1.00 0.00 C ATOM 2088 C LYS A 129 1.083 17.350 -5.754 1.00 0.00 C ATOM 2089 O LYS A 129 1.510 18.491 -5.601 1.00 0.00 O ATOM 2090 CB LYS A 129 1.135 16.384 -8.052 1.00 0.00 C ATOM 2091 CG LYS A 129 1.236 14.873 -7.986 1.00 0.00 C ATOM 2092 CD LYS A 129 -0.097 14.215 -8.306 1.00 0.00 C ATOM 2093 CE LYS A 129 -0.153 12.785 -7.793 1.00 0.00 C ATOM 2094 NZ LYS A 129 -0.530 11.828 -8.869 1.00 0.00 N ATOM 0 H LYS A 129 0.132 19.013 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 129 -0.501 16.259 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 129 0.748 16.670 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.135 16.809 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 129 1.993 14.526 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.563 14.571 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.906 14.794 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.257 14.222 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 129 0.818 12.507 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.874 12.719 -6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -1.338 11.253 -8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.793 12.355 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 0.277 11.206 -9.079 1.00 0.00 H new ATOM 2108 N ALA A 130 1.299 16.370 -4.886 1.00 0.00 N ATOM 2109 CA ALA A 130 2.074 16.580 -3.669 1.00 0.00 C ATOM 2110 C ALA A 130 3.576 16.494 -3.932 1.00 0.00 C ATOM 2111 O ALA A 130 4.128 15.397 -4.036 1.00 0.00 O ATOM 2112 CB ALA A 130 1.675 15.560 -2.617 1.00 0.00 C ATOM 0 H ALA A 130 0.948 15.420 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 130 1.856 17.585 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.259 15.724 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.614 15.668 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 130 1.865 14.555 -2.994 1.00 0.00 H new ATOM 2118 N PRO A 131 4.266 17.649 -4.030 1.00 0.00 N ATOM 2119 CA PRO A 131 5.711 17.680 -4.268 1.00 0.00 C ATOM 2120 C PRO A 131 6.491 17.188 -3.058 1.00 0.00 C ATOM 2121 O PRO A 131 7.441 16.417 -3.186 1.00 0.00 O ATOM 2122 CB PRO A 131 6.006 19.158 -4.513 1.00 0.00 C ATOM 2123 CG PRO A 131 4.915 19.886 -3.807 1.00 0.00 C ATOM 2124 CD PRO A 131 3.700 19.008 -3.909 1.00 0.00 C ATOM 0 HA PRO A 131 6.002 17.033 -5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.985 19.436 -4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 131 6.011 19.389 -5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.178 20.069 -2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.734 20.858 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 131 3.063 19.101 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.089 19.267 -4.774 1.00 0.00 H new