USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=15 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 -35:sc= -0.71 USER MOD Set 1.2: A 105 CYS SG : rot 86:sc= 0.357 USER MOD Set 1.3: A 110 THR OG1 : rot -171:sc= 0.079 USER MOD Set 1.4: A 123 CYS SG : rot -171:sc= -0.47 USER MOD Set 1.5: A 126 CYS SG : rot 55:sc= 0.531 USER MOD Set 1.6: A 129 LYS NZ :NH3+ 148:sc= 0.289 (180deg=0) USER MOD Set 2.1: A 68 THR OG1 : rot -40:sc= -3.28! USER MOD Set 2.2: A 80 GLN : amide:sc= -4.18! C(o=-7.5!,f=-8.1!) USER MOD Set 3.1: A 52 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.2!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -0.075 X(o=-1.5,f=-1.5) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -10:sc= -1.44 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.8!) USER MOD Single : A 39 THR OG1 : rot 75:sc= -1.59 USER MOD Single : A 42 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.22) USER MOD Single : A 43 ASN : amide:sc= -0.684 K(o=-0.68,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.293 K(o=-0.29,f=-2.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.75 K(o=-1.8,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00367 USER MOD Single : A 85 HIS : no HE2:sc= -7.02! C(o=-7!,f=-12!) USER MOD Single : A 89 ASN : amide:sc= -0.438 K(o=-0.44,f=-1.4!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.02 K(o=-1,f=-2.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -110:sc= -3.41! (180deg=-4.63!) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -7.431 -2.401 0.816 1.00 0.00 N ATOM 506 CA TYR A 31 -7.429 -1.451 1.923 1.00 0.00 C ATOM 507 C TYR A 31 -7.839 -2.135 3.226 1.00 0.00 C ATOM 508 O TYR A 31 -8.234 -3.301 3.229 1.00 0.00 O ATOM 509 CB TYR A 31 -8.371 -0.280 1.621 1.00 0.00 C ATOM 510 CG TYR A 31 -9.840 -0.647 1.650 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.325 -1.720 0.913 1.00 0.00 C ATOM 512 CD2 TYR A 31 -10.740 0.084 2.415 1.00 0.00 C ATOM 513 CE1 TYR A 31 -11.665 -2.054 0.938 1.00 0.00 C ATOM 514 CE2 TYR A 31 -12.081 -0.245 2.447 1.00 0.00 C ATOM 515 CZ TYR A 31 -12.539 -1.314 1.707 1.00 0.00 C ATOM 516 OH TYR A 31 -13.874 -1.646 1.736 1.00 0.00 O ATOM 0 HA TYR A 31 -6.416 -1.067 2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.191 0.514 2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.128 0.125 0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.643 -2.302 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.385 0.924 2.994 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.027 -2.890 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.767 0.332 3.049 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.352 -1.027 2.326 1.00 0.00 H new ATOM 526 N SER A 32 -7.746 -1.401 4.330 1.00 0.00 N ATOM 527 CA SER A 32 -8.113 -1.938 5.638 1.00 0.00 C ATOM 528 C SER A 32 -9.611 -2.191 5.718 1.00 0.00 C ATOM 529 O SER A 32 -10.336 -1.980 4.747 1.00 0.00 O ATOM 530 CB SER A 32 -7.698 -0.970 6.748 1.00 0.00 C ATOM 531 OG SER A 32 -6.321 -0.653 6.662 1.00 0.00 O ATOM 0 H SER A 32 -7.420 -0.434 4.347 1.00 0.00 H new ATOM 0 HA SER A 32 -7.589 -2.884 5.771 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.289 -0.057 6.678 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.912 -1.414 7.720 1.00 0.00 H new ATOM 0 HG SER A 32 -5.890 -1.243 6.010 1.00 0.00 H new ATOM 537 N VAL A 33 -10.070 -2.633 6.884 1.00 0.00 N ATOM 538 CA VAL A 33 -11.488 -2.900 7.092 1.00 0.00 C ATOM 539 C VAL A 33 -11.979 -2.208 8.355 1.00 0.00 C ATOM 540 O VAL A 33 -11.568 -2.550 9.464 1.00 0.00 O ATOM 541 CB VAL A 33 -11.799 -4.413 7.194 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.060 -4.745 6.415 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.633 -5.256 6.697 1.00 0.00 C ATOM 0 H VAL A 33 -9.482 -2.814 7.698 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.009 -2.507 6.219 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.958 -4.651 8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.267 -5.812 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.899 -4.181 6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.920 -4.480 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.885 -6.313 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.429 -5.015 5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.749 -5.044 7.298 1.00 0.00 H new ATOM 553 N ILE A 34 -12.856 -1.230 8.175 1.00 0.00 N ATOM 554 CA ILE A 34 -13.404 -0.478 9.288 1.00 0.00 C ATOM 555 C ILE A 34 -14.155 -1.387 10.257 1.00 0.00 C ATOM 556 O ILE A 34 -14.909 -2.265 9.839 1.00 0.00 O ATOM 557 CB ILE A 34 -14.343 0.637 8.793 1.00 0.00 C ATOM 558 CG1 ILE A 34 -15.660 0.058 8.263 1.00 0.00 C ATOM 559 CG2 ILE A 34 -13.657 1.476 7.725 1.00 0.00 C ATOM 560 CD1 ILE A 34 -15.490 -0.877 7.086 1.00 0.00 C ATOM 0 H ILE A 34 -13.203 -0.940 7.261 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.564 -0.026 9.815 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.579 1.280 9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.161 -0.477 9.070 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.315 0.879 7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.335 2.259 7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.757 1.930 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.386 0.841 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.466 -1.244 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.019 -0.342 6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.863 -1.719 7.378 1.00 0.00 H new ATOM 572 N GLN A 35 -13.945 -1.164 11.549 1.00 0.00 N ATOM 573 CA GLN A 35 -14.605 -1.959 12.576 1.00 0.00 C ATOM 574 C GLN A 35 -14.720 -1.173 13.880 1.00 0.00 C ATOM 575 O GLN A 35 -13.800 -1.173 14.698 1.00 0.00 O ATOM 576 CB GLN A 35 -13.841 -3.265 12.809 1.00 0.00 C ATOM 577 CG GLN A 35 -14.677 -4.510 12.555 1.00 0.00 C ATOM 578 CD GLN A 35 -14.639 -5.487 13.713 1.00 0.00 C ATOM 579 OE1 GLN A 35 -15.480 -5.438 14.609 1.00 0.00 O ATOM 580 NE2 GLN A 35 -13.657 -6.382 13.700 1.00 0.00 N ATOM 0 H GLN A 35 -13.324 -0.440 11.909 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.611 -2.197 12.230 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.966 -3.286 12.159 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.476 -3.285 13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.710 -4.217 12.366 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.317 -5.007 11.654 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.981 -6.386 12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.579 -7.065 14.454 1.00 0.00 H new ATOM 589 N GLY A 36 -15.855 -0.505 14.066 1.00 0.00 N ATOM 590 CA GLY A 36 -16.068 0.274 15.272 1.00 0.00 C ATOM 591 C GLY A 36 -15.098 1.432 15.396 1.00 0.00 C ATOM 592 O GLY A 36 -15.429 2.570 15.062 1.00 0.00 O ATOM 0 H GLY A 36 -16.630 -0.490 13.403 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.088 0.657 15.277 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.967 -0.375 16.142 1.00 0.00 H new ATOM 596 N ASN A 37 -13.894 1.139 15.878 1.00 0.00 N ATOM 597 CA ASN A 37 -12.865 2.157 16.045 1.00 0.00 C ATOM 598 C ASN A 37 -11.473 1.549 15.874 1.00 0.00 C ATOM 599 O ASN A 37 -10.486 2.080 16.381 1.00 0.00 O ATOM 600 CB ASN A 37 -12.987 2.809 17.427 1.00 0.00 C ATOM 601 CG ASN A 37 -13.629 4.182 17.367 1.00 0.00 C ATOM 602 OD1 ASN A 37 -14.154 4.591 16.331 1.00 0.00 O ATOM 603 ND2 ASN A 37 -13.591 4.901 18.483 1.00 0.00 N ATOM 0 H ASN A 37 -13.608 0.202 16.160 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.007 2.919 15.279 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.576 2.164 18.079 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.996 2.894 17.874 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -14.008 5.832 18.504 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -13.145 4.522 19.319 1.00 0.00 H new ATOM 610 N ARG A 38 -11.411 0.427 15.158 1.00 0.00 N ATOM 611 CA ARG A 38 -10.149 -0.268 14.918 1.00 0.00 C ATOM 612 C ARG A 38 -9.994 -0.621 13.443 1.00 0.00 C ATOM 613 O ARG A 38 -10.982 -0.850 12.744 1.00 0.00 O ATOM 614 CB ARG A 38 -10.082 -1.555 15.746 1.00 0.00 C ATOM 615 CG ARG A 38 -10.739 -1.463 17.113 1.00 0.00 C ATOM 616 CD ARG A 38 -11.889 -2.446 17.248 1.00 0.00 C ATOM 617 NE ARG A 38 -12.917 -1.955 18.160 1.00 0.00 N ATOM 618 CZ ARG A 38 -13.671 -2.743 18.923 1.00 0.00 C ATOM 619 NH1 ARG A 38 -13.522 -4.061 18.886 1.00 0.00 N ATOM 620 NH2 ARG A 38 -14.576 -2.207 19.730 1.00 0.00 N ATOM 0 H ARG A 38 -12.223 -0.020 14.733 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.341 0.402 15.213 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.556 -2.359 15.183 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.036 -1.832 15.878 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.998 -1.661 17.888 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.105 -0.449 17.274 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.329 -2.627 16.268 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.510 -3.402 17.609 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.067 -0.948 18.216 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.825 -4.478 18.269 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.104 -4.657 19.474 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.692 -1.194 19.765 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.156 -2.807 20.316 1.00 0.00 H new ATOM 634 N THR A 39 -8.750 -0.677 12.974 1.00 0.00 N ATOM 635 CA THR A 39 -8.479 -1.022 11.582 1.00 0.00 C ATOM 636 C THR A 39 -8.025 -2.475 11.474 1.00 0.00 C ATOM 637 O THR A 39 -7.004 -2.861 12.042 1.00 0.00 O ATOM 638 CB THR A 39 -7.424 -0.075 10.979 1.00 0.00 C ATOM 639 OG1 THR A 39 -7.958 0.620 9.864 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.159 -0.772 10.513 1.00 0.00 C ATOM 0 H THR A 39 -7.918 -0.489 13.534 1.00 0.00 H new ATOM 0 HA THR A 39 -9.401 -0.905 11.013 1.00 0.00 H new ATOM 0 HB THR A 39 -7.160 0.601 11.792 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.564 1.324 10.177 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.468 -0.036 10.102 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.690 -1.278 11.357 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.409 -1.504 9.745 1.00 0.00 H new ATOM 648 N PHE A 40 -8.790 -3.277 10.745 1.00 0.00 N ATOM 649 CA PHE A 40 -8.463 -4.684 10.570 1.00 0.00 C ATOM 650 C PHE A 40 -7.560 -4.894 9.366 1.00 0.00 C ATOM 651 O PHE A 40 -8.019 -5.317 8.307 1.00 0.00 O ATOM 652 CB PHE A 40 -9.738 -5.509 10.394 1.00 0.00 C ATOM 653 CG PHE A 40 -9.587 -6.961 10.749 1.00 0.00 C ATOM 654 CD1 PHE A 40 -8.375 -7.614 10.593 1.00 0.00 C ATOM 655 CD2 PHE A 40 -10.669 -7.677 11.235 1.00 0.00 C ATOM 656 CE1 PHE A 40 -8.245 -8.947 10.915 1.00 0.00 C ATOM 657 CE2 PHE A 40 -10.546 -9.013 11.560 1.00 0.00 C ATOM 658 CZ PHE A 40 -9.332 -9.651 11.400 1.00 0.00 C ATOM 0 H PHE A 40 -9.639 -2.977 10.267 1.00 0.00 H new ATOM 0 HA PHE A 40 -7.935 -5.013 11.465 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.525 -5.076 11.011 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.067 -5.432 9.358 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -7.522 -7.071 10.214 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.621 -7.183 11.361 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.294 -9.443 10.789 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.398 -9.558 11.939 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.232 -10.696 11.653 1.00 0.00 H new ATOM 668 N ILE A 41 -6.271 -4.626 9.529 1.00 0.00 N ATOM 669 CA ILE A 41 -5.332 -4.824 8.438 1.00 0.00 C ATOM 670 C ILE A 41 -5.383 -6.275 7.983 1.00 0.00 C ATOM 671 O ILE A 41 -5.068 -7.181 8.750 1.00 0.00 O ATOM 672 CB ILE A 41 -3.881 -4.444 8.843 1.00 0.00 C ATOM 673 CG1 ILE A 41 -3.433 -3.195 8.083 1.00 0.00 C ATOM 674 CG2 ILE A 41 -2.901 -5.585 8.583 1.00 0.00 C ATOM 675 CD1 ILE A 41 -4.352 -2.009 8.273 1.00 0.00 C ATOM 0 H ILE A 41 -5.858 -4.276 10.394 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.624 -4.166 7.620 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.882 -4.242 9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.429 -2.922 8.409 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.371 -3.429 7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.898 -5.278 8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.199 -6.459 9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.905 -5.833 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.972 -1.160 7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.352 -2.263 7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.396 -1.748 9.330 1.00 0.00 H new ATOM 687 N GLN A 42 -5.786 -6.492 6.740 1.00 0.00 N ATOM 688 CA GLN A 42 -5.870 -7.839 6.200 1.00 0.00 C ATOM 689 C GLN A 42 -4.831 -8.021 5.107 1.00 0.00 C ATOM 690 O GLN A 42 -4.216 -9.079 4.986 1.00 0.00 O ATOM 691 CB GLN A 42 -7.273 -8.116 5.658 1.00 0.00 C ATOM 692 CG GLN A 42 -7.525 -9.580 5.338 1.00 0.00 C ATOM 693 CD GLN A 42 -8.747 -10.130 6.049 1.00 0.00 C ATOM 694 OE1 GLN A 42 -9.780 -9.467 6.128 1.00 0.00 O ATOM 695 NE2 GLN A 42 -8.635 -11.346 6.571 1.00 0.00 N ATOM 0 H GLN A 42 -6.059 -5.755 6.089 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.670 -8.552 7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.008 -7.781 6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.428 -7.524 4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.652 -9.696 4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.650 -10.166 5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.759 -11.861 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.425 -11.765 7.061 1.00 0.00 H new ATOM 704 N ASN A 43 -4.630 -6.970 4.322 1.00 0.00 N ATOM 705 CA ASN A 43 -3.654 -6.995 3.245 1.00 0.00 C ATOM 706 C ASN A 43 -2.479 -6.078 3.566 1.00 0.00 C ATOM 707 O ASN A 43 -2.135 -5.197 2.782 1.00 0.00 O ATOM 708 CB ASN A 43 -4.308 -6.576 1.929 1.00 0.00 C ATOM 709 CG ASN A 43 -4.919 -7.751 1.193 1.00 0.00 C ATOM 710 OD1 ASN A 43 -5.898 -8.342 1.648 1.00 0.00 O ATOM 711 ND2 ASN A 43 -4.343 -8.097 0.049 1.00 0.00 N ATOM 0 H ASN A 43 -5.133 -6.087 4.413 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.279 -8.013 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.081 -5.834 2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.564 -6.098 1.292 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.710 -8.881 -0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.533 -7.579 -0.291 1.00 0.00 H new ATOM 718 N PHE A 44 -1.864 -6.283 4.728 1.00 0.00 N ATOM 719 CA PHE A 44 -0.731 -5.462 5.144 1.00 0.00 C ATOM 720 C PHE A 44 0.289 -5.299 4.017 1.00 0.00 C ATOM 721 O PHE A 44 1.056 -4.348 4.012 1.00 0.00 O ATOM 722 CB PHE A 44 -0.048 -6.065 6.375 1.00 0.00 C ATOM 723 CG PHE A 44 1.087 -5.227 6.901 1.00 0.00 C ATOM 724 CD1 PHE A 44 0.923 -3.866 7.109 1.00 0.00 C ATOM 725 CD2 PHE A 44 2.315 -5.802 7.186 1.00 0.00 C ATOM 726 CE1 PHE A 44 1.964 -3.095 7.592 1.00 0.00 C ATOM 727 CE2 PHE A 44 3.359 -5.035 7.671 1.00 0.00 C ATOM 728 CZ PHE A 44 3.183 -3.680 7.873 1.00 0.00 C ATOM 0 H PHE A 44 -2.130 -7.007 5.395 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.122 -4.477 5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.788 -6.196 7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.329 -7.056 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.028 -3.403 6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.459 -6.861 7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.824 -2.036 7.749 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.311 -5.495 7.892 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.997 -3.079 8.250 1.00 0.00 H new ATOM 738 N ARG A 45 0.298 -6.228 3.067 1.00 0.00 N ATOM 739 CA ARG A 45 1.234 -6.162 1.948 1.00 0.00 C ATOM 740 C ARG A 45 0.699 -5.285 0.820 1.00 0.00 C ATOM 741 O ARG A 45 1.348 -4.323 0.404 1.00 0.00 O ATOM 742 CB ARG A 45 1.518 -7.563 1.411 1.00 0.00 C ATOM 743 CG ARG A 45 2.580 -7.585 0.327 1.00 0.00 C ATOM 744 CD ARG A 45 3.980 -7.568 0.919 1.00 0.00 C ATOM 745 NE ARG A 45 4.447 -8.912 1.249 1.00 0.00 N ATOM 746 CZ ARG A 45 4.312 -9.475 2.448 1.00 0.00 C ATOM 747 NH1 ARG A 45 3.745 -8.810 3.449 1.00 0.00 N ATOM 748 NH2 ARG A 45 4.749 -10.711 2.649 1.00 0.00 N ATOM 0 H ARG A 45 -0.329 -7.032 3.048 1.00 0.00 H new ATOM 0 HA ARG A 45 2.157 -5.718 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.835 -8.203 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.595 -7.987 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.455 -8.476 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.450 -6.724 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.669 -7.108 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.987 -6.950 1.817 1.00 0.00 H new ATOM 0 HE ARG A 45 4.905 -9.453 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.408 -7.858 3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.647 -9.251 4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.187 -11.227 1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.647 -11.145 3.566 1.00 0.00 H new ATOM 762 N GLU A 46 -0.497 -5.612 0.338 1.00 0.00 N ATOM 763 CA GLU A 46 -1.122 -4.847 -0.733 1.00 0.00 C ATOM 764 C GLU A 46 -1.512 -3.465 -0.233 1.00 0.00 C ATOM 765 O GLU A 46 -1.390 -2.469 -0.948 1.00 0.00 O ATOM 766 CB GLU A 46 -2.355 -5.574 -1.267 1.00 0.00 C ATOM 767 CG GLU A 46 -2.732 -5.175 -2.686 1.00 0.00 C ATOM 768 CD GLU A 46 -1.848 -5.829 -3.730 1.00 0.00 C ATOM 769 OE1 GLU A 46 -0.775 -5.268 -4.036 1.00 0.00 O ATOM 770 OE2 GLU A 46 -2.230 -6.902 -4.244 1.00 0.00 O ATOM 0 H GLU A 46 -1.051 -6.401 0.673 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.401 -4.743 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.174 -6.648 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.199 -5.374 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.771 -5.448 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.664 -4.092 -2.785 1.00 0.00 H new ATOM 777 N VAL A 47 -1.971 -3.419 1.009 1.00 0.00 N ATOM 778 CA VAL A 47 -2.376 -2.170 1.632 1.00 0.00 C ATOM 779 C VAL A 47 -1.161 -1.305 1.941 1.00 0.00 C ATOM 780 O VAL A 47 -1.179 -0.098 1.716 1.00 0.00 O ATOM 781 CB VAL A 47 -3.169 -2.419 2.933 1.00 0.00 C ATOM 782 CG1 VAL A 47 -3.819 -1.136 3.427 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.217 -3.502 2.728 1.00 0.00 C ATOM 0 H VAL A 47 -2.072 -4.239 1.608 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.022 -1.650 0.924 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.467 -2.760 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.372 -1.338 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.049 -0.390 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.503 -0.759 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.763 -3.660 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.912 -3.193 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.728 -4.430 2.432 1.00 0.00 H new ATOM 793 N ALA A 48 -0.106 -1.927 2.467 1.00 0.00 N ATOM 794 CA ALA A 48 1.109 -1.200 2.814 1.00 0.00 C ATOM 795 C ALA A 48 1.789 -0.593 1.586 1.00 0.00 C ATOM 796 O ALA A 48 2.481 0.417 1.688 1.00 0.00 O ATOM 797 CB ALA A 48 2.087 -2.094 3.553 1.00 0.00 C ATOM 0 H ALA A 48 -0.070 -2.928 2.660 1.00 0.00 H new ATOM 0 HA ALA A 48 0.807 -0.383 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.984 -1.526 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.625 -2.459 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.356 -2.940 2.921 1.00 0.00 H new ATOM 803 N ASP A 49 1.598 -1.204 0.428 1.00 0.00 N ATOM 804 CA ASP A 49 2.212 -0.683 -0.787 1.00 0.00 C ATOM 805 C ASP A 49 1.425 0.517 -1.306 1.00 0.00 C ATOM 806 O ASP A 49 1.931 1.638 -1.329 1.00 0.00 O ATOM 807 CB ASP A 49 2.295 -1.775 -1.853 1.00 0.00 C ATOM 808 CG ASP A 49 3.713 -1.991 -2.348 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.196 -1.162 -3.149 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.341 -2.989 -1.936 1.00 0.00 O ATOM 0 H ASP A 49 1.035 -2.045 0.301 1.00 0.00 H new ATOM 0 HA ASP A 49 3.225 -0.355 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.909 -2.709 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.656 -1.507 -2.694 1.00 0.00 H new ATOM 815 N ALA A 50 0.192 0.273 -1.732 1.00 0.00 N ATOM 816 CA ALA A 50 -0.662 1.332 -2.262 1.00 0.00 C ATOM 817 C ALA A 50 -0.780 2.525 -1.303 1.00 0.00 C ATOM 818 O ALA A 50 -0.862 3.668 -1.741 1.00 0.00 O ATOM 819 CB ALA A 50 -2.037 0.776 -2.584 1.00 0.00 C ATOM 0 H ALA A 50 -0.241 -0.650 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.194 1.702 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.668 1.572 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.944 -0.016 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.487 0.372 -1.677 1.00 0.00 H new ATOM 825 N LEU A 51 -0.803 2.257 -0.001 1.00 0.00 N ATOM 826 CA LEU A 51 -0.921 3.323 0.987 1.00 0.00 C ATOM 827 C LEU A 51 0.400 4.087 1.116 1.00 0.00 C ATOM 828 O LEU A 51 0.409 5.316 1.206 1.00 0.00 O ATOM 829 CB LEU A 51 -1.363 2.753 2.344 1.00 0.00 C ATOM 830 CG LEU A 51 -1.016 3.613 3.557 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.436 5.049 3.326 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.656 3.058 4.822 1.00 0.00 C ATOM 0 H LEU A 51 -0.742 1.318 0.392 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.684 4.025 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.442 2.603 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.907 1.771 2.473 1.00 0.00 H new ATOM 0 HG LEU A 51 0.065 3.589 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.181 5.648 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.917 5.444 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.512 5.091 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.392 3.690 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.740 3.042 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.295 2.045 4.998 1.00 0.00 H new ATOM 844 N ASN A 52 1.511 3.356 1.111 1.00 0.00 N ATOM 845 CA ASN A 52 2.833 3.967 1.212 1.00 0.00 C ATOM 846 C ASN A 52 3.926 2.931 0.974 1.00 0.00 C ATOM 847 O ASN A 52 4.206 2.099 1.838 1.00 0.00 O ATOM 848 CB ASN A 52 3.028 4.632 2.578 1.00 0.00 C ATOM 849 CG ASN A 52 3.722 5.975 2.465 1.00 0.00 C ATOM 850 OD1 ASN A 52 4.944 6.066 2.576 1.00 0.00 O ATOM 851 ND2 ASN A 52 2.944 7.028 2.242 1.00 0.00 N ATOM 0 H ASN A 52 1.522 2.339 1.038 1.00 0.00 H new ATOM 0 HA ASN A 52 2.904 4.735 0.441 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.058 4.765 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.614 3.975 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.356 7.957 2.156 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.935 6.907 2.157 1.00 0.00 H new ATOM 858 N ARG A 53 4.533 2.993 -0.211 1.00 0.00 N ATOM 859 CA ARG A 53 5.601 2.070 -0.605 1.00 0.00 C ATOM 860 C ARG A 53 6.510 1.719 0.574 1.00 0.00 C ATOM 861 O ARG A 53 6.508 0.585 1.051 1.00 0.00 O ATOM 862 CB ARG A 53 6.425 2.691 -1.734 1.00 0.00 C ATOM 863 CG ARG A 53 7.305 1.696 -2.471 1.00 0.00 C ATOM 864 CD ARG A 53 6.494 0.793 -3.390 1.00 0.00 C ATOM 865 NE ARG A 53 6.949 -0.596 -3.331 1.00 0.00 N ATOM 866 CZ ARG A 53 8.186 -0.987 -3.637 1.00 0.00 C ATOM 867 NH1 ARG A 53 9.091 -0.103 -4.042 1.00 0.00 N ATOM 868 NH2 ARG A 53 8.519 -2.267 -3.545 1.00 0.00 N ATOM 0 H ARG A 53 4.300 3.683 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 53 5.138 1.146 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.749 3.162 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.053 3.480 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.050 2.234 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.847 1.086 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.441 0.842 -3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.569 1.156 -4.415 1.00 0.00 H new ATOM 0 HE ARG A 53 6.280 -1.308 -3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.841 0.883 -4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.036 -0.410 -4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.828 -2.953 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.466 -2.566 -3.779 1.00 0.00 H new ATOM 882 N ASP A 54 7.279 2.697 1.043 1.00 0.00 N ATOM 883 CA ASP A 54 8.180 2.480 2.169 1.00 0.00 C ATOM 884 C ASP A 54 7.396 2.010 3.393 1.00 0.00 C ATOM 885 O ASP A 54 6.400 2.626 3.770 1.00 0.00 O ATOM 886 CB ASP A 54 8.940 3.766 2.498 1.00 0.00 C ATOM 887 CG ASP A 54 10.178 3.944 1.640 1.00 0.00 C ATOM 888 OD1 ASP A 54 10.059 3.850 0.400 1.00 0.00 O ATOM 889 OD2 ASP A 54 11.266 4.180 2.207 1.00 0.00 O ATOM 0 H ASP A 54 7.296 3.643 0.663 1.00 0.00 H new ATOM 0 HA ASP A 54 8.898 1.708 1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.279 4.621 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.229 3.755 3.549 1.00 0.00 H new ATOM 894 N PRO A 55 7.826 0.908 4.032 1.00 0.00 N ATOM 895 CA PRO A 55 7.144 0.370 5.212 1.00 0.00 C ATOM 896 C PRO A 55 7.351 1.244 6.443 1.00 0.00 C ATOM 897 O PRO A 55 6.497 1.303 7.327 1.00 0.00 O ATOM 898 CB PRO A 55 7.798 -0.998 5.406 1.00 0.00 C ATOM 899 CG PRO A 55 9.155 -0.854 4.812 1.00 0.00 C ATOM 900 CD PRO A 55 9.003 0.100 3.658 1.00 0.00 C ATOM 0 HA PRO A 55 6.064 0.322 5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.854 -1.264 6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.229 -1.783 4.909 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.863 -0.469 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.537 -1.817 4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.891 0.719 3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.845 -0.429 2.718 1.00 0.00 H new ATOM 908 N GLN A 56 8.493 1.920 6.491 1.00 0.00 N ATOM 909 CA GLN A 56 8.818 2.794 7.613 1.00 0.00 C ATOM 910 C GLN A 56 7.812 3.933 7.728 1.00 0.00 C ATOM 911 O GLN A 56 7.512 4.398 8.824 1.00 0.00 O ATOM 912 CB GLN A 56 10.228 3.360 7.449 1.00 0.00 C ATOM 913 CG GLN A 56 11.264 2.677 8.326 1.00 0.00 C ATOM 914 CD GLN A 56 12.278 3.651 8.892 1.00 0.00 C ATOM 915 OE1 GLN A 56 12.034 4.857 8.946 1.00 0.00 O ATOM 916 NE2 GLN A 56 13.425 3.134 9.317 1.00 0.00 N ATOM 0 H GLN A 56 9.210 1.880 5.766 1.00 0.00 H new ATOM 0 HA GLN A 56 8.773 2.202 8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.529 3.266 6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.212 4.425 7.682 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.760 2.164 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.782 1.915 7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.586 2.129 9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.145 3.742 9.707 1.00 0.00 H new ATOM 925 N HIS A 57 7.291 4.379 6.591 1.00 0.00 N ATOM 926 CA HIS A 57 6.317 5.464 6.580 1.00 0.00 C ATOM 927 C HIS A 57 4.970 4.983 7.107 1.00 0.00 C ATOM 928 O HIS A 57 4.470 5.485 8.115 1.00 0.00 O ATOM 929 CB HIS A 57 6.157 6.027 5.166 1.00 0.00 C ATOM 930 CG HIS A 57 6.126 7.522 5.124 1.00 0.00 C ATOM 931 ND1 HIS A 57 6.670 8.262 4.096 1.00 0.00 N ATOM 932 CD2 HIS A 57 5.613 8.421 5.998 1.00 0.00 C ATOM 933 CE1 HIS A 57 6.495 9.549 4.338 1.00 0.00 C ATOM 934 NE2 HIS A 57 5.856 9.673 5.486 1.00 0.00 N ATOM 0 H HIS A 57 7.525 4.009 5.670 1.00 0.00 H new ATOM 0 HA HIS A 57 6.684 6.256 7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.979 5.670 4.545 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.236 5.639 4.730 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.107 8.196 6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.820 10.361 3.704 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.586 10.555 5.922 1.00 0.00 H new ATOM 942 N LEU A 58 4.391 4.006 6.418 1.00 0.00 N ATOM 943 CA LEU A 58 3.102 3.442 6.807 1.00 0.00 C ATOM 944 C LEU A 58 3.031 3.215 8.314 1.00 0.00 C ATOM 945 O LEU A 58 2.020 3.509 8.953 1.00 0.00 O ATOM 946 CB LEU A 58 2.878 2.117 6.082 1.00 0.00 C ATOM 947 CG LEU A 58 1.567 2.017 5.304 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.849 1.916 3.815 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.757 0.819 5.784 1.00 0.00 C ATOM 0 H LEU A 58 4.796 3.585 5.582 1.00 0.00 H new ATOM 0 HA LEU A 58 2.324 4.153 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.705 1.954 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.910 1.310 6.814 1.00 0.00 H new ATOM 0 HG LEU A 58 0.981 2.918 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.907 1.845 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.392 2.802 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.450 1.028 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.174 0.760 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.332 -0.094 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.533 0.933 6.845 1.00 0.00 H new ATOM 961 N LEU A 59 4.111 2.681 8.869 1.00 0.00 N ATOM 962 CA LEU A 59 4.176 2.402 10.296 1.00 0.00 C ATOM 963 C LEU A 59 4.085 3.686 11.109 1.00 0.00 C ATOM 964 O LEU A 59 3.231 3.818 11.983 1.00 0.00 O ATOM 965 CB LEU A 59 5.468 1.662 10.630 1.00 0.00 C ATOM 966 CG LEU A 59 5.342 0.622 11.741 1.00 0.00 C ATOM 967 CD1 LEU A 59 4.754 -0.673 11.195 1.00 0.00 C ATOM 968 CD2 LEU A 59 6.696 0.368 12.385 1.00 0.00 C ATOM 0 H LEU A 59 4.954 2.433 8.352 1.00 0.00 H new ATOM 0 HA LEU A 59 3.326 1.772 10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.830 1.168 9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.224 2.392 10.919 1.00 0.00 H new ATOM 0 HG LEU A 59 4.666 1.009 12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.671 -1.403 12.000 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.765 -0.477 10.780 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.404 -1.067 10.414 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.589 -0.376 13.175 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.394 0.001 11.632 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.077 1.297 12.810 1.00 0.00 H new ATOM 980 N LYS A 60 4.959 4.636 10.816 1.00 0.00 N ATOM 981 CA LYS A 60 4.951 5.907 11.523 1.00 0.00 C ATOM 982 C LYS A 60 3.590 6.582 11.390 1.00 0.00 C ATOM 983 O LYS A 60 3.212 7.406 12.218 1.00 0.00 O ATOM 984 CB LYS A 60 6.045 6.824 10.978 1.00 0.00 C ATOM 985 CG LYS A 60 7.444 6.266 11.166 1.00 0.00 C ATOM 986 CD LYS A 60 7.838 6.231 12.633 1.00 0.00 C ATOM 987 CE LYS A 60 8.976 7.194 12.925 1.00 0.00 C ATOM 988 NZ LYS A 60 10.297 6.508 12.918 1.00 0.00 N ATOM 0 H LYS A 60 5.679 4.552 10.098 1.00 0.00 H new ATOM 0 HA LYS A 60 5.145 5.715 12.578 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.870 6.996 9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.978 7.793 11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.494 5.259 10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.157 6.875 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.976 6.487 13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.136 5.219 12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.977 7.992 12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.815 7.663 13.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.048 7.198 13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.305 5.764 13.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.462 6.082 11.984 1.00 0.00 H new ATOM 1002 N PHE A 61 2.862 6.222 10.335 1.00 0.00 N ATOM 1003 CA PHE A 61 1.547 6.792 10.083 1.00 0.00 C ATOM 1004 C PHE A 61 0.472 6.123 10.941 1.00 0.00 C ATOM 1005 O PHE A 61 -0.378 6.803 11.517 1.00 0.00 O ATOM 1006 CB PHE A 61 1.205 6.672 8.595 1.00 0.00 C ATOM 1007 CG PHE A 61 1.465 7.930 7.807 1.00 0.00 C ATOM 1008 CD1 PHE A 61 2.355 8.893 8.265 1.00 0.00 C ATOM 1009 CD2 PHE A 61 0.806 8.151 6.609 1.00 0.00 C ATOM 1010 CE1 PHE A 61 2.577 10.050 7.543 1.00 0.00 C ATOM 1011 CE2 PHE A 61 1.026 9.305 5.882 1.00 0.00 C ATOM 1012 CZ PHE A 61 1.913 10.256 6.351 1.00 0.00 C ATOM 0 H PHE A 61 3.164 5.537 9.642 1.00 0.00 H new ATOM 0 HA PHE A 61 1.573 7.846 10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.786 5.857 8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.154 6.402 8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.879 8.736 9.196 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.111 7.412 6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.270 10.792 7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.506 9.464 4.949 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.086 11.159 5.785 1.00 0.00 H new ATOM 1022 N LEU A 62 0.503 4.794 11.026 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.484 4.073 11.824 1.00 0.00 C ATOM 1024 C LEU A 62 -0.432 4.511 13.286 1.00 0.00 C ATOM 1025 O LEU A 62 -1.466 4.706 13.914 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.293 2.550 11.716 1.00 0.00 C ATOM 1027 CG LEU A 62 0.898 1.967 12.483 1.00 0.00 C ATOM 1028 CD1 LEU A 62 0.508 1.625 13.911 1.00 0.00 C ATOM 1029 CD2 LEU A 62 1.431 0.734 11.773 1.00 0.00 C ATOM 0 H LEU A 62 1.191 4.203 10.559 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.467 4.319 11.423 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.202 2.064 12.071 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.183 2.291 10.663 1.00 0.00 H new ATOM 0 HG LEU A 62 1.684 2.722 12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.370 1.213 14.435 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.170 2.527 14.422 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.297 0.890 13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.277 0.331 12.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.645 -0.019 11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.754 1.004 10.768 1.00 0.00 H new ATOM 1041 N LEU A 63 0.773 4.671 13.822 1.00 0.00 N ATOM 1042 CA LEU A 63 0.935 5.088 15.213 1.00 0.00 C ATOM 1043 C LEU A 63 0.694 6.589 15.377 1.00 0.00 C ATOM 1044 O LEU A 63 0.156 7.032 16.391 1.00 0.00 O ATOM 1045 CB LEU A 63 2.328 4.721 15.725 1.00 0.00 C ATOM 1046 CG LEU A 63 3.493 5.315 14.931 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.887 6.670 15.497 1.00 0.00 C ATOM 1048 CD2 LEU A 63 4.682 4.363 14.940 1.00 0.00 C ATOM 0 H LEU A 63 1.648 4.520 13.320 1.00 0.00 H new ATOM 0 HA LEU A 63 0.189 4.558 15.805 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.413 5.046 16.762 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.424 3.635 15.722 1.00 0.00 H new ATOM 0 HG LEU A 63 3.173 5.455 13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.717 7.078 14.920 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.037 7.350 15.440 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.190 6.555 16.538 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.502 4.800 14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.004 4.192 15.967 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.392 3.414 14.488 1.00 0.00 H new ATOM 1060 N ARG A 64 1.099 7.364 14.378 1.00 0.00 N ATOM 1061 CA ARG A 64 0.925 8.814 14.424 1.00 0.00 C ATOM 1062 C ARG A 64 -0.554 9.178 14.479 1.00 0.00 C ATOM 1063 O ARG A 64 -0.928 10.218 15.022 1.00 0.00 O ATOM 1064 CB ARG A 64 1.586 9.484 13.217 1.00 0.00 C ATOM 1065 CG ARG A 64 3.026 9.910 13.470 1.00 0.00 C ATOM 1066 CD ARG A 64 3.184 11.423 13.421 1.00 0.00 C ATOM 1067 NE ARG A 64 3.230 12.015 14.758 1.00 0.00 N ATOM 1068 CZ ARG A 64 2.353 12.911 15.211 1.00 0.00 C ATOM 1069 NH1 ARG A 64 1.343 13.315 14.448 1.00 0.00 N ATOM 1070 NH2 ARG A 64 2.483 13.405 16.435 1.00 0.00 N ATOM 0 H ARG A 64 1.548 7.017 13.530 1.00 0.00 H new ATOM 0 HA ARG A 64 1.410 9.179 15.330 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.562 8.796 12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.002 10.359 12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.348 9.542 14.444 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.677 9.452 12.725 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.097 11.674 12.882 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.355 11.856 12.862 1.00 0.00 H new ATOM 0 HE ARG A 64 3.981 11.724 15.384 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.233 12.939 13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.677 14.001 14.804 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.254 13.099 17.029 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.812 14.091 16.782 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.393 8.313 13.919 1.00 0.00 N ATOM 1085 CA GLU A 65 -2.833 8.541 13.910 1.00 0.00 C ATOM 1086 C GLU A 65 -3.547 7.593 14.876 1.00 0.00 C ATOM 1087 O GLU A 65 -4.760 7.686 15.062 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.388 8.375 12.493 1.00 0.00 C ATOM 1089 CG GLU A 65 -3.706 9.696 11.812 1.00 0.00 C ATOM 1090 CD GLU A 65 -4.744 9.555 10.716 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -5.911 9.249 11.040 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -4.392 9.754 9.535 1.00 0.00 O ATOM 0 H GLU A 65 -1.100 7.448 13.465 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.016 9.563 14.243 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.664 7.828 11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.293 7.768 12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.064 10.407 12.557 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.791 10.111 11.389 1.00 0.00 H new ATOM 1099 N LEU A 66 -2.792 6.687 15.494 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.364 5.738 16.443 1.00 0.00 C ATOM 1101 C LEU A 66 -3.460 6.357 17.833 1.00 0.00 C ATOM 1102 O LEU A 66 -2.464 6.444 18.549 1.00 0.00 O ATOM 1103 CB LEU A 66 -2.512 4.466 16.509 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.149 3.207 15.909 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -3.695 3.478 14.515 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.141 2.065 15.878 1.00 0.00 C ATOM 0 H LEU A 66 -1.786 6.591 15.354 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.366 5.482 16.099 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.570 4.655 15.994 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.270 4.266 17.553 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.986 2.916 16.544 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.140 2.567 14.115 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.453 4.260 14.567 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.884 3.801 13.863 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.609 1.179 15.449 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.284 2.353 15.270 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.809 1.845 16.893 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.659 6.781 18.213 1.00 0.00 N ATOM 1119 CA GLY A 67 -4.846 7.377 19.522 1.00 0.00 C ATOM 1120 C GLY A 67 -4.979 6.337 20.622 1.00 0.00 C ATOM 1121 O GLY A 67 -5.167 6.680 21.788 1.00 0.00 O ATOM 0 H GLY A 67 -5.502 6.723 17.641 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.002 8.030 19.744 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.738 8.003 19.508 1.00 0.00 H new ATOM 1125 N THR A 68 -4.881 5.063 20.249 1.00 0.00 N ATOM 1126 CA THR A 68 -4.991 3.970 21.208 1.00 0.00 C ATOM 1127 C THR A 68 -3.729 3.110 21.176 1.00 0.00 C ATOM 1128 O THR A 68 -2.897 3.261 20.283 1.00 0.00 O ATOM 1129 CB THR A 68 -6.229 3.112 20.908 1.00 0.00 C ATOM 1130 OG1 THR A 68 -5.923 2.084 19.983 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.389 3.900 20.335 1.00 0.00 C ATOM 0 H THR A 68 -4.725 4.763 19.287 1.00 0.00 H new ATOM 0 HA THR A 68 -5.100 4.395 22.206 1.00 0.00 H new ATOM 0 HB THR A 68 -6.525 2.704 21.874 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.330 2.436 19.286 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.228 3.229 20.148 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.691 4.670 21.045 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.084 4.368 19.399 1.00 0.00 H new ATOM 1139 N ALA A 69 -3.595 2.214 22.157 1.00 0.00 N ATOM 1140 CA ALA A 69 -2.433 1.320 22.257 1.00 0.00 C ATOM 1141 C ALA A 69 -1.838 0.981 20.889 1.00 0.00 C ATOM 1142 O ALA A 69 -0.710 1.367 20.581 1.00 0.00 O ATOM 1143 CB ALA A 69 -2.821 0.039 22.989 1.00 0.00 C ATOM 0 H ALA A 69 -4.282 2.086 22.900 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.666 1.850 22.821 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.954 -0.617 23.058 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.171 0.285 23.992 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.616 -0.467 22.441 1.00 0.00 H new ATOM 1149 N GLY A 70 -2.602 0.261 20.074 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.129 -0.115 18.753 1.00 0.00 C ATOM 1151 C GLY A 70 -1.459 -1.476 18.740 1.00 0.00 C ATOM 1152 O GLY A 70 -0.304 -1.611 19.144 1.00 0.00 O ATOM 0 H GLY A 70 -3.539 -0.069 20.304 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.969 -0.121 18.058 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.425 0.636 18.396 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.185 -2.486 18.267 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.651 -3.842 18.196 1.00 0.00 C ATOM 1158 C ASN A 71 -2.495 -4.707 17.265 1.00 0.00 C ATOM 1159 O ASN A 71 -3.601 -4.333 16.893 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.596 -4.468 19.590 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.299 -4.160 20.313 1.00 0.00 C ATOM 1162 OD1 ASN A 71 -0.301 -3.810 21.492 1.00 0.00 O ATOM 1163 ND2 ASN A 71 0.821 -4.290 19.607 1.00 0.00 N ATOM 0 H ASN A 71 -3.142 -2.391 17.928 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.639 -3.788 17.795 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.434 -4.102 20.183 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.713 -5.548 19.505 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.723 -4.097 20.042 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.777 -4.583 18.631 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.966 -5.863 16.888 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.680 -6.768 15.994 1.00 0.00 C ATOM 1172 C LEU A 72 -3.572 -7.727 16.779 1.00 0.00 C ATOM 1173 O LEU A 72 -3.096 -8.469 17.637 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.681 -7.556 15.137 1.00 0.00 C ATOM 1175 CG LEU A 72 -0.511 -6.743 14.559 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -0.945 -5.326 14.188 1.00 0.00 C ATOM 1177 CD2 LEU A 72 0.653 -6.710 15.541 1.00 0.00 C ATOM 0 H LEU A 72 -1.049 -6.196 17.185 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.318 -6.170 15.343 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.273 -8.367 15.741 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.223 -8.016 14.311 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.181 -7.237 13.645 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.094 -4.779 13.783 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.736 -5.372 13.440 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.315 -4.814 15.077 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.472 -6.130 15.115 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.329 -6.249 16.474 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.992 -7.727 15.738 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.869 -7.723 16.473 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.815 -8.612 17.143 1.00 0.00 C ATOM 1191 C GLU A 73 -6.206 -9.776 16.224 1.00 0.00 C ATOM 1192 O GLU A 73 -6.082 -9.675 15.000 1.00 0.00 O ATOM 1193 CB GLU A 73 -7.052 -7.828 17.592 1.00 0.00 C ATOM 1194 CG GLU A 73 -8.108 -8.661 18.304 1.00 0.00 C ATOM 1195 CD GLU A 73 -9.389 -7.884 18.539 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -9.317 -6.785 19.128 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -10.463 -8.371 18.130 1.00 0.00 O ATOM 0 H GLU A 73 -5.287 -7.116 15.768 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.335 -9.030 18.028 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.735 -7.024 18.256 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.506 -7.360 16.718 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.328 -9.549 17.712 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.713 -9.005 19.260 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.660 -10.873 16.845 1.00 0.00 N ATOM 1205 CA GLY A 74 -7.068 -12.095 16.138 1.00 0.00 C ATOM 1206 C GLY A 74 -7.278 -11.939 14.641 1.00 0.00 C ATOM 1207 O GLY A 74 -7.855 -10.954 14.182 1.00 0.00 O ATOM 0 H GLY A 74 -6.755 -10.938 17.858 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.311 -12.861 16.304 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.994 -12.460 16.582 1.00 0.00 H new ATOM 1211 N GLY A 75 -6.811 -12.933 13.881 1.00 0.00 N ATOM 1212 CA GLY A 75 -6.953 -12.902 12.434 1.00 0.00 C ATOM 1213 C GLY A 75 -5.704 -12.390 11.750 1.00 0.00 C ATOM 1214 O GLY A 75 -4.624 -12.963 11.897 1.00 0.00 O ATOM 0 H GLY A 75 -6.336 -13.759 14.245 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.180 -13.904 12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.798 -12.268 12.167 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.844 -11.302 11.008 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.712 -10.710 10.313 1.00 0.00 C ATOM 1220 C ARG A 76 -3.999 -9.722 11.228 1.00 0.00 C ATOM 1221 O ARG A 76 -2.993 -10.062 11.850 1.00 0.00 O ATOM 1222 CB ARG A 76 -5.161 -10.020 9.024 1.00 0.00 C ATOM 1223 CG ARG A 76 -4.614 -10.684 7.769 1.00 0.00 C ATOM 1224 CD ARG A 76 -3.153 -10.323 7.541 1.00 0.00 C ATOM 1225 NE ARG A 76 -2.246 -11.387 7.971 1.00 0.00 N ATOM 1226 CZ ARG A 76 -0.924 -11.246 8.045 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -0.354 -10.092 7.722 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -0.167 -12.261 8.444 1.00 0.00 N ATOM 0 H ARG A 76 -6.728 -10.812 10.872 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.018 -11.506 10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.250 -10.017 8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.840 -8.978 9.046 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.714 -11.766 7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.205 -10.377 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.993 -10.117 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.918 -9.407 8.083 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.649 -12.288 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.929 -9.307 7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.659 -9.990 7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.598 -13.151 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.845 -12.151 8.500 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.524 -8.503 11.322 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.923 -7.493 12.181 1.00 0.00 C ATOM 1244 C ALA A 77 -4.921 -6.398 12.550 1.00 0.00 C ATOM 1245 O ALA A 77 -4.909 -5.313 11.969 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.689 -6.902 11.516 1.00 0.00 C ATOM 0 H ALA A 77 -5.356 -8.195 10.819 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.621 -7.979 13.109 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.250 -6.148 12.169 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.961 -7.692 11.333 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.971 -6.442 10.569 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.782 -6.688 13.526 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.778 -5.717 13.972 1.00 0.00 C ATOM 1254 C ILE A 78 -6.177 -4.743 14.977 1.00 0.00 C ATOM 1255 O ILE A 78 -6.158 -5.021 16.176 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.998 -6.393 14.641 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -8.374 -7.701 13.940 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -9.189 -5.448 14.681 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -9.367 -8.537 14.721 1.00 0.00 C ATOM 0 H ILE A 78 -5.809 -7.581 14.019 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.106 -5.190 13.076 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.714 -6.635 15.665 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.794 -7.472 12.960 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.471 -8.287 13.771 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.034 -5.947 15.156 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.927 -4.556 15.251 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.461 -5.162 13.665 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.590 -9.449 14.167 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.942 -8.796 15.691 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.285 -7.968 14.868 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.698 -3.596 14.493 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.120 -2.589 15.378 1.00 0.00 C ATOM 1273 C LEU A 79 -6.198 -1.613 15.823 1.00 0.00 C ATOM 1274 O LEU A 79 -7.341 -1.717 15.393 1.00 0.00 O ATOM 1275 CB LEU A 79 -3.964 -1.846 14.702 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.354 -0.972 13.511 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -4.726 0.432 13.972 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.221 -0.924 12.494 1.00 0.00 C ATOM 0 H LEU A 79 -5.699 -3.345 13.504 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.714 -3.096 16.253 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.473 -1.219 15.446 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.229 -2.579 14.368 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.228 -1.413 13.031 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.000 1.038 13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.570 0.377 14.660 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.874 0.886 14.478 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.514 -0.298 11.652 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.329 -0.508 12.962 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.008 -1.932 12.139 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.844 -0.680 16.694 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.814 0.282 17.199 1.00 0.00 C ATOM 1292 C GLN A 80 -6.211 1.678 17.268 1.00 0.00 C ATOM 1293 O GLN A 80 -5.123 1.863 17.811 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.279 -0.155 18.591 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.752 0.102 18.865 1.00 0.00 C ATOM 1296 CD GLN A 80 -8.975 1.046 20.030 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -9.799 1.958 19.961 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -8.240 0.827 21.113 1.00 0.00 N ATOM 0 H GLN A 80 -4.900 -0.568 17.064 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.664 0.314 16.518 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.079 -1.220 18.711 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.685 0.367 19.341 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.216 0.519 17.971 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.250 -0.846 19.070 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.569 0.059 21.127 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.347 1.426 21.931 1.00 0.00 H new ATOM 1307 N GLY A 81 -6.923 2.657 16.707 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.433 4.024 16.711 1.00 0.00 C ATOM 1309 C GLY A 81 -7.282 4.970 15.875 1.00 0.00 C ATOM 1310 O GLY A 81 -8.131 5.685 16.407 1.00 0.00 O ATOM 0 H GLY A 81 -7.827 2.526 16.252 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.400 4.388 17.738 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.410 4.037 16.335 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.045 4.989 14.564 1.00 0.00 N ATOM 1315 CA LYS A 82 -7.796 5.872 13.676 1.00 0.00 C ATOM 1316 C LYS A 82 -7.432 5.655 12.203 1.00 0.00 C ATOM 1317 O LYS A 82 -6.914 6.557 11.544 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.548 7.334 14.070 1.00 0.00 C ATOM 1319 CG LYS A 82 -8.818 8.110 14.383 1.00 0.00 C ATOM 1320 CD LYS A 82 -9.270 8.944 13.195 1.00 0.00 C ATOM 1321 CE LYS A 82 -10.754 8.764 12.920 1.00 0.00 C ATOM 1322 NZ LYS A 82 -11.598 9.515 13.894 1.00 0.00 N ATOM 0 H LYS A 82 -6.347 4.410 14.098 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.854 5.633 13.787 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.894 7.360 14.941 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.018 7.834 13.259 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.610 7.415 14.663 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.646 8.760 15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.059 9.996 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.698 8.660 12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.979 9.103 11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.005 7.704 12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.603 9.365 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.403 9.175 14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.378 10.530 13.834 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.726 4.464 11.683 1.00 0.00 N ATOM 1337 CA PHE A 83 -7.445 4.155 10.281 1.00 0.00 C ATOM 1338 C PHE A 83 -8.707 3.644 9.587 1.00 0.00 C ATOM 1339 O PHE A 83 -8.670 2.673 8.832 1.00 0.00 O ATOM 1340 CB PHE A 83 -6.315 3.118 10.171 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.956 3.689 9.830 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.790 5.035 9.525 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.839 2.866 9.810 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.544 5.542 9.208 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.591 3.370 9.495 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.443 4.708 9.193 1.00 0.00 C ATOM 0 H PHE A 83 -8.156 3.702 12.207 1.00 0.00 H new ATOM 0 HA PHE A 83 -7.120 5.070 9.785 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -6.240 2.582 11.117 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.586 2.386 9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.646 5.693 9.536 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.946 1.817 10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.431 6.590 8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.731 2.716 9.485 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.469 5.102 8.945 1.00 0.00 H new ATOM 1356 N THR A 84 -9.822 4.322 9.843 1.00 0.00 N ATOM 1357 CA THR A 84 -11.104 3.958 9.244 1.00 0.00 C ATOM 1358 C THR A 84 -11.176 4.457 7.805 1.00 0.00 C ATOM 1359 O THR A 84 -11.810 5.472 7.521 1.00 0.00 O ATOM 1360 CB THR A 84 -12.252 4.550 10.065 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.911 4.595 11.441 1.00 0.00 O ATOM 1362 CG2 THR A 84 -13.544 3.775 9.938 1.00 0.00 C ATOM 0 H THR A 84 -9.864 5.130 10.464 1.00 0.00 H new ATOM 0 HA THR A 84 -11.194 2.872 9.241 1.00 0.00 H new ATOM 0 HB THR A 84 -12.409 5.550 9.662 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.656 4.978 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.314 4.250 10.546 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.860 3.763 8.895 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.390 2.752 10.282 1.00 0.00 H new ATOM 1370 N HIS A 85 -10.496 3.743 6.909 1.00 0.00 N ATOM 1371 CA HIS A 85 -10.436 4.100 5.487 1.00 0.00 C ATOM 1372 C HIS A 85 -10.269 5.604 5.306 1.00 0.00 C ATOM 1373 O HIS A 85 -10.808 6.193 4.369 1.00 0.00 O ATOM 1374 CB HIS A 85 -11.710 3.643 4.765 1.00 0.00 C ATOM 1375 CG HIS A 85 -12.952 4.363 5.212 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -13.014 5.730 5.385 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -14.181 3.896 5.532 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -14.219 6.073 5.796 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -14.950 4.978 5.895 1.00 0.00 N ATOM 0 H HIS A 85 -9.971 2.901 7.145 1.00 0.00 H new ATOM 0 HA HIS A 85 -9.572 3.594 5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.582 3.791 3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.844 2.573 4.926 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -12.244 6.378 5.220 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -14.500 2.864 5.507 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.551 7.077 6.014 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.502 6.216 6.194 1.00 0.00 N ATOM 1388 CA PHE A 86 -9.253 7.645 6.122 1.00 0.00 C ATOM 1389 C PHE A 86 -7.995 7.928 5.320 1.00 0.00 C ATOM 1390 O PHE A 86 -8.049 8.211 4.123 1.00 0.00 O ATOM 1391 CB PHE A 86 -9.147 8.243 7.524 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.442 8.822 8.007 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.761 10.145 7.749 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -11.345 8.041 8.706 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -11.959 10.679 8.182 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -12.544 8.568 9.143 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.852 9.889 8.880 1.00 0.00 C ATOM 0 H PHE A 86 -9.042 5.745 6.973 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.094 8.116 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.817 7.471 8.219 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.383 9.021 7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -10.066 10.766 7.203 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.109 7.007 8.912 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.197 11.712 7.975 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -13.240 7.949 9.689 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.790 10.303 9.220 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.862 7.841 5.999 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.574 8.078 5.381 1.00 0.00 C ATOM 1409 C LEU A 87 -5.191 6.913 4.476 1.00 0.00 C ATOM 1410 O LEU A 87 -4.772 7.114 3.336 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.523 8.283 6.468 1.00 0.00 C ATOM 1412 CG LEU A 87 -3.152 8.739 5.977 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -2.336 9.292 7.138 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -2.423 7.589 5.299 1.00 0.00 C ATOM 0 H LEU A 87 -6.813 7.605 6.990 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.631 8.975 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.899 9.019 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.402 7.347 7.013 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.286 9.534 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.360 9.614 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.858 10.142 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.205 8.516 7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.447 7.930 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.292 6.772 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.007 7.240 4.447 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.335 5.693 4.987 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.998 4.505 4.211 1.00 0.00 C ATOM 1428 C ILE A 88 -5.769 4.476 2.896 1.00 0.00 C ATOM 1429 O ILE A 88 -5.179 4.499 1.816 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.315 3.210 4.989 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.715 3.258 6.403 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.805 2.000 4.218 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -4.766 1.930 7.132 1.00 0.00 C ATOM 0 H ILE A 88 -5.680 5.503 5.928 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.927 4.554 4.014 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.396 3.122 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.678 3.587 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.249 4.005 6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.033 1.091 4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.290 1.959 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.726 2.082 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.325 2.042 8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.803 1.609 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.207 1.184 6.568 1.00 0.00 H new ATOM 1445 N ASN A 89 -7.088 4.414 3.002 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.958 4.365 1.832 1.00 0.00 C ATOM 1447 C ASN A 89 -7.645 5.492 0.849 1.00 0.00 C ATOM 1448 O ASN A 89 -7.617 5.277 -0.361 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.419 4.445 2.269 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.379 4.007 1.181 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.013 3.257 0.276 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -11.618 4.476 1.267 1.00 0.00 N ATOM 0 H ASN A 89 -7.584 4.396 3.893 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.779 3.419 1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.565 3.820 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.651 5.469 2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.311 4.217 0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.877 5.095 2.035 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.422 6.692 1.372 1.00 0.00 N ATOM 1460 CA GLU A 90 -7.128 7.849 0.530 1.00 0.00 C ATOM 1461 C GLU A 90 -5.826 7.666 -0.253 1.00 0.00 C ATOM 1462 O GLU A 90 -5.812 7.771 -1.479 1.00 0.00 O ATOM 1463 CB GLU A 90 -7.054 9.117 1.379 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.199 10.398 0.576 1.00 0.00 C ATOM 1465 CD GLU A 90 -7.365 11.621 1.455 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -8.229 11.589 2.358 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -6.635 12.611 1.241 1.00 0.00 O ATOM 0 H GLU A 90 -7.439 6.891 2.372 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.940 7.944 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.837 9.083 2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.100 9.135 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.321 10.527 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.060 10.312 -0.087 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.736 7.398 0.459 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.439 7.210 -0.181 1.00 0.00 C ATOM 1476 C ARG A 91 -3.486 6.063 -1.183 1.00 0.00 C ATOM 1477 O ARG A 91 -3.033 6.202 -2.319 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.362 6.924 0.865 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.760 8.163 1.512 1.00 0.00 C ATOM 1480 CD ARG A 91 -1.225 9.146 0.482 1.00 0.00 C ATOM 1481 NE ARG A 91 0.103 8.775 -0.004 1.00 0.00 N ATOM 1482 CZ ARG A 91 1.197 9.518 0.168 1.00 0.00 C ATOM 1483 NH1 ARG A 91 1.143 10.652 0.856 1.00 0.00 N ATOM 1484 NH2 ARG A 91 2.353 9.120 -0.343 1.00 0.00 N ATOM 0 H ARG A 91 -4.725 7.306 1.475 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.194 8.131 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.790 6.295 1.645 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.562 6.350 0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.516 8.655 2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.953 7.866 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.916 9.198 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.183 10.142 0.922 1.00 0.00 H new ATOM 0 HE ARG A 91 0.199 7.892 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.259 10.962 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.986 11.213 0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.405 8.246 -0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.191 9.687 -0.212 1.00 0.00 H new ATOM 1498 N ILE A 92 -4.036 4.929 -0.759 1.00 0.00 N ATOM 1499 CA ILE A 92 -4.132 3.765 -1.630 1.00 0.00 C ATOM 1500 C ILE A 92 -4.895 4.116 -2.907 1.00 0.00 C ATOM 1501 O ILE A 92 -4.382 3.955 -4.012 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.846 2.596 -0.916 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.998 2.105 0.259 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -5.130 1.454 -1.888 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.606 0.935 0.999 1.00 0.00 C ATOM 0 H ILE A 92 -4.419 4.793 0.176 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.118 3.457 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.802 2.956 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.013 1.818 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.850 2.928 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.633 0.644 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.769 1.813 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.191 1.088 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.950 0.642 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.578 1.223 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.729 0.096 0.314 1.00 0.00 H new ATOM 1517 N GLU A 93 -6.123 4.601 -2.740 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.965 4.980 -3.873 1.00 0.00 C ATOM 1519 C GLU A 93 -6.216 5.913 -4.820 1.00 0.00 C ATOM 1520 O GLU A 93 -6.498 5.955 -6.018 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.247 5.658 -3.379 1.00 0.00 C ATOM 1522 CG GLU A 93 -9.478 5.324 -4.207 1.00 0.00 C ATOM 1523 CD GLU A 93 -10.289 4.189 -3.613 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -9.706 3.117 -3.348 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -11.508 4.372 -3.413 1.00 0.00 O ATOM 0 H GLU A 93 -6.559 4.741 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.228 4.073 -4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.426 5.365 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.100 6.738 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.107 6.210 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.170 5.056 -5.218 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.260 6.657 -4.274 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.467 7.586 -5.069 1.00 0.00 C ATOM 1534 C ASP A 94 -3.407 6.844 -5.876 1.00 0.00 C ATOM 1535 O ASP A 94 -3.035 7.276 -6.962 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.798 8.626 -4.168 1.00 0.00 C ATOM 1537 CG ASP A 94 -4.738 9.752 -3.786 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -5.280 10.409 -4.700 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -4.933 9.977 -2.573 1.00 0.00 O ATOM 0 H ASP A 94 -5.016 6.634 -3.284 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.139 8.094 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.434 8.138 -3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.929 9.040 -4.679 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.923 5.729 -5.336 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.902 4.933 -6.012 1.00 0.00 C ATOM 1546 C TYR A 95 -2.534 3.935 -6.981 1.00 0.00 C ATOM 1547 O TYR A 95 -2.181 3.893 -8.159 1.00 0.00 O ATOM 1548 CB TYR A 95 -1.035 4.194 -4.988 1.00 0.00 C ATOM 1549 CG TYR A 95 0.375 4.738 -4.874 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.143 4.982 -6.007 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.940 5.005 -3.632 1.00 0.00 C ATOM 1552 CE1 TYR A 95 2.431 5.474 -5.903 1.00 0.00 C ATOM 1553 CE2 TYR A 95 2.224 5.498 -3.521 1.00 0.00 C ATOM 1554 CZ TYR A 95 2.966 5.730 -4.658 1.00 0.00 C ATOM 1555 OH TYR A 95 4.248 6.218 -4.550 1.00 0.00 O ATOM 0 H TYR A 95 -3.220 5.356 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.272 5.614 -6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.516 4.249 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.987 3.140 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.727 4.784 -6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.363 4.823 -2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.015 5.657 -6.793 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.645 5.701 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 95 4.471 6.345 -3.604 1.00 0.00 H new ATOM 1565 N VAL A 96 -3.469 3.132 -6.477 1.00 0.00 N ATOM 1566 CA VAL A 96 -4.145 2.135 -7.299 1.00 0.00 C ATOM 1567 C VAL A 96 -4.957 2.797 -8.403 1.00 0.00 C ATOM 1568 O VAL A 96 -4.983 2.315 -9.537 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.076 1.230 -6.466 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.524 0.027 -7.286 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -4.389 0.781 -5.185 1.00 0.00 C ATOM 0 H VAL A 96 -3.774 3.154 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.362 1.517 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.959 1.808 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.180 -0.601 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.062 0.369 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.651 -0.550 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.064 0.144 -4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.486 0.223 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.123 1.654 -4.589 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.614 3.911 -8.078 1.00 0.00 N ATOM 1582 CA ASN A 97 -6.416 4.629 -9.053 1.00 0.00 C ATOM 1583 C ASN A 97 -5.762 5.963 -9.411 1.00 0.00 C ATOM 1584 O ASN A 97 -6.429 6.996 -9.475 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.830 4.866 -8.516 1.00 0.00 C ATOM 1586 CG ASN A 97 -8.813 5.236 -9.611 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -8.509 6.051 -10.484 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -9.999 4.640 -9.570 1.00 0.00 N ATOM 0 H ASN A 97 -5.603 4.330 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.481 4.019 -9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.178 3.966 -8.009 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.804 5.662 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.701 4.851 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.208 3.971 -8.829 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.455 5.925 -9.662 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.708 7.124 -10.042 1.00 0.00 C ATOM 1597 C LYS A 98 -3.848 7.399 -11.534 1.00 0.00 C ATOM 1598 O LYS A 98 -3.503 8.481 -12.009 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.223 6.987 -9.688 1.00 0.00 C ATOM 1600 CG LYS A 98 -1.589 5.688 -10.158 1.00 0.00 C ATOM 1601 CD LYS A 98 -0.899 5.861 -11.501 1.00 0.00 C ATOM 1602 CE LYS A 98 0.566 5.461 -11.433 1.00 0.00 C ATOM 1603 NZ LYS A 98 1.383 6.454 -10.683 1.00 0.00 N ATOM 0 H LYS A 98 -3.890 5.077 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.128 7.959 -9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.678 7.824 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.110 7.063 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.866 5.346 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.354 4.916 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.407 5.257 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.979 6.900 -11.820 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.653 4.485 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.960 5.357 -12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.375 6.142 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.322 7.380 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.024 6.535 -9.710 1.00 0.00 H new ATOM 1617 N PHE A 99 -4.346 6.407 -12.269 1.00 0.00 N ATOM 1618 CA PHE A 99 -4.518 6.533 -13.708 1.00 0.00 C ATOM 1619 C PHE A 99 -5.700 7.437 -14.066 1.00 0.00 C ATOM 1620 O PHE A 99 -5.562 8.332 -14.899 1.00 0.00 O ATOM 1621 CB PHE A 99 -4.642 5.150 -14.379 1.00 0.00 C ATOM 1622 CG PHE A 99 -5.783 4.275 -13.909 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -5.845 3.801 -12.604 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -6.787 3.909 -14.793 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -6.887 2.985 -12.196 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -7.830 3.098 -14.390 1.00 0.00 C ATOM 1627 CZ PHE A 99 -7.882 2.636 -13.091 1.00 0.00 C ATOM 0 H PHE A 99 -4.637 5.507 -11.888 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.621 7.013 -14.099 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.746 5.300 -15.454 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.709 4.609 -14.222 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.072 4.072 -11.900 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.753 4.264 -15.813 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.923 2.621 -11.180 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -8.605 2.826 -15.092 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.698 2.003 -12.774 1.00 0.00 H new ATOM 1637 N VAL A 100 -6.858 7.211 -13.452 1.00 0.00 N ATOM 1638 CA VAL A 100 -8.032 8.031 -13.750 1.00 0.00 C ATOM 1639 C VAL A 100 -8.167 9.215 -12.793 1.00 0.00 C ATOM 1640 O VAL A 100 -9.063 10.044 -12.954 1.00 0.00 O ATOM 1641 CB VAL A 100 -9.336 7.213 -13.721 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -10.481 8.029 -14.302 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -9.167 5.912 -14.487 1.00 0.00 C ATOM 0 H VAL A 100 -7.010 6.480 -12.757 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.874 8.409 -14.760 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.571 6.971 -12.685 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.398 7.440 -14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.616 8.937 -13.714 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.251 8.296 -15.333 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -10.099 5.347 -14.455 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.910 6.131 -15.523 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.370 5.323 -14.032 1.00 0.00 H new ATOM 1653 N ILE A 101 -7.280 9.304 -11.806 1.00 0.00 N ATOM 1654 CA ILE A 101 -7.327 10.407 -10.852 1.00 0.00 C ATOM 1655 C ILE A 101 -6.276 11.467 -11.192 1.00 0.00 C ATOM 1656 O ILE A 101 -6.563 12.664 -11.175 1.00 0.00 O ATOM 1657 CB ILE A 101 -7.131 9.920 -9.398 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -7.614 10.982 -8.405 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -5.674 9.577 -9.140 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -8.708 10.490 -7.482 1.00 0.00 C ATOM 0 H ILE A 101 -6.528 8.634 -11.647 1.00 0.00 H new ATOM 0 HA ILE A 101 -8.319 10.851 -10.928 1.00 0.00 H new ATOM 0 HB ILE A 101 -7.727 9.018 -9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.768 11.320 -7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.978 11.847 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.557 9.236 -8.111 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.360 8.787 -9.822 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.058 10.462 -9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.002 11.293 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.570 10.179 -8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.341 9.643 -6.902 1.00 0.00 H new ATOM 1672 N CYS A 102 -5.057 11.019 -11.493 1.00 0.00 N ATOM 1673 CA CYS A 102 -3.966 11.932 -11.833 1.00 0.00 C ATOM 1674 C CYS A 102 -4.054 12.400 -13.288 1.00 0.00 C ATOM 1675 O CYS A 102 -3.069 12.872 -13.857 1.00 0.00 O ATOM 1676 CB CYS A 102 -2.612 11.261 -11.589 1.00 0.00 C ATOM 1677 SG CYS A 102 -1.202 12.392 -11.672 1.00 0.00 S ATOM 0 H CYS A 102 -4.801 10.032 -11.508 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.060 12.806 -11.188 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.626 10.786 -10.608 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.473 10.469 -12.325 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.424 13.296 -12.579 1.00 0.00 H new ATOM 1682 N HIS A 103 -5.233 12.261 -13.886 1.00 0.00 N ATOM 1683 CA HIS A 103 -5.452 12.662 -15.272 1.00 0.00 C ATOM 1684 C HIS A 103 -4.542 11.881 -16.215 1.00 0.00 C ATOM 1685 O HIS A 103 -3.948 12.446 -17.134 1.00 0.00 O ATOM 1686 CB HIS A 103 -5.200 14.162 -15.434 1.00 0.00 C ATOM 1687 CG HIS A 103 -6.244 15.017 -14.787 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -6.058 16.355 -14.514 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -7.495 14.720 -14.358 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -7.144 16.844 -13.945 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -8.032 15.872 -13.840 1.00 0.00 N ATOM 0 H HIS A 103 -6.057 11.871 -13.429 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.488 12.442 -15.529 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.227 14.407 -15.009 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.153 14.402 -16.496 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.979 13.756 -14.413 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.283 17.865 -13.621 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.965 15.963 -13.439 1.00 0.00 H new ATOM 1699 N GLU A 104 -4.436 10.577 -15.980 1.00 0.00 N ATOM 1700 CA GLU A 104 -3.599 9.710 -16.804 1.00 0.00 C ATOM 1701 C GLU A 104 -2.205 10.303 -16.998 1.00 0.00 C ATOM 1702 O GLU A 104 -1.860 10.768 -18.084 1.00 0.00 O ATOM 1703 CB GLU A 104 -4.261 9.462 -18.160 1.00 0.00 C ATOM 1704 CG GLU A 104 -3.418 8.615 -19.103 1.00 0.00 C ATOM 1705 CD GLU A 104 -4.176 8.179 -20.343 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -5.412 8.352 -20.376 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -3.530 7.665 -21.280 1.00 0.00 O ATOM 0 H GLU A 104 -4.921 10.095 -15.223 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.491 8.759 -16.283 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.220 8.969 -18.002 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.469 10.421 -18.634 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.537 9.182 -19.403 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.063 7.732 -18.571 1.00 0.00 H new ATOM 1714 N CYS A 105 -1.403 10.273 -15.940 1.00 0.00 N ATOM 1715 CA CYS A 105 -0.042 10.795 -15.997 1.00 0.00 C ATOM 1716 C CYS A 105 0.890 9.811 -16.706 1.00 0.00 C ATOM 1717 O CYS A 105 2.048 9.653 -16.317 1.00 0.00 O ATOM 1718 CB CYS A 105 0.473 11.077 -14.583 1.00 0.00 C ATOM 1719 SG CYS A 105 1.403 12.618 -14.426 1.00 0.00 S ATOM 0 H CYS A 105 -1.671 9.893 -15.032 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.056 11.725 -16.565 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.375 11.106 -13.899 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.108 10.249 -14.268 1.00 0.00 H new ATOM 0 HG CYS A 105 0.580 13.602 -14.218 1.00 0.00 H new ATOM 1724 N ASN A 106 0.388 9.160 -17.755 1.00 0.00 N ATOM 1725 CA ASN A 106 1.182 8.207 -18.524 1.00 0.00 C ATOM 1726 C ASN A 106 2.204 8.927 -19.394 1.00 0.00 C ATOM 1727 O ASN A 106 3.408 8.877 -19.141 1.00 0.00 O ATOM 1728 CB ASN A 106 0.269 7.344 -19.396 1.00 0.00 C ATOM 1729 CG ASN A 106 0.122 5.933 -18.863 1.00 0.00 C ATOM 1730 OD1 ASN A 106 -0.776 5.646 -18.071 1.00 0.00 O ATOM 1731 ND2 ASN A 106 1.004 5.041 -19.299 1.00 0.00 N ATOM 0 H ASN A 106 -0.568 9.277 -18.091 1.00 0.00 H new ATOM 0 HA ASN A 106 1.718 7.567 -17.823 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.715 7.810 -19.459 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.669 7.306 -20.409 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.953 4.074 -18.977 1.00 0.00 H new ATOM 0 HD22 ASN A 106 1.732 5.323 -19.955 1.00 0.00 H new ATOM 1738 N ARG A 107 1.704 9.592 -20.432 1.00 0.00 N ATOM 1739 CA ARG A 107 2.552 10.326 -21.362 1.00 0.00 C ATOM 1740 C ARG A 107 3.051 11.626 -20.736 1.00 0.00 C ATOM 1741 O ARG A 107 2.279 12.355 -20.114 1.00 0.00 O ATOM 1742 CB ARG A 107 1.779 10.631 -22.649 1.00 0.00 C ATOM 1743 CG ARG A 107 2.088 9.674 -23.789 1.00 0.00 C ATOM 1744 CD ARG A 107 2.486 10.421 -25.053 1.00 0.00 C ATOM 1745 NE ARG A 107 2.675 9.518 -26.185 1.00 0.00 N ATOM 1746 CZ ARG A 107 3.699 8.674 -26.301 1.00 0.00 C ATOM 1747 NH1 ARG A 107 4.631 8.617 -25.357 1.00 0.00 N ATOM 1748 NH2 ARG A 107 3.792 7.888 -27.363 1.00 0.00 N ATOM 0 H ARG A 107 0.708 9.636 -20.650 1.00 0.00 H new ATOM 0 HA ARG A 107 3.416 9.704 -21.599 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.710 10.597 -22.437 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.008 11.648 -22.968 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.894 9.003 -23.493 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.215 9.054 -23.992 1.00 0.00 H new ATOM 0 HD2 ARG A 107 1.717 11.154 -25.298 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.408 10.974 -24.872 1.00 0.00 H new ATOM 0 HE ARG A 107 1.981 9.535 -26.932 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.565 9.221 -24.538 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.413 7.969 -25.451 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.080 7.929 -28.092 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.576 7.242 -27.452 1.00 0.00 H new ATOM 1762 N PRO A 108 4.355 11.932 -20.887 1.00 0.00 N ATOM 1763 CA PRO A 108 4.954 13.151 -20.329 1.00 0.00 C ATOM 1764 C PRO A 108 4.250 14.422 -20.803 1.00 0.00 C ATOM 1765 O PRO A 108 4.768 15.154 -21.646 1.00 0.00 O ATOM 1766 CB PRO A 108 6.396 13.116 -20.846 1.00 0.00 C ATOM 1767 CG PRO A 108 6.660 11.682 -21.144 1.00 0.00 C ATOM 1768 CD PRO A 108 5.351 11.112 -21.606 1.00 0.00 C ATOM 0 HA PRO A 108 4.877 13.174 -19.242 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.511 13.733 -21.737 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.093 13.500 -20.101 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.425 11.577 -21.913 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.023 11.159 -20.259 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.235 11.193 -22.687 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.260 10.055 -21.354 1.00 0.00 H new ATOM 1776 N ASP A 109 3.070 14.678 -20.251 1.00 0.00 N ATOM 1777 CA ASP A 109 2.294 15.860 -20.606 1.00 0.00 C ATOM 1778 C ASP A 109 2.436 16.949 -19.545 1.00 0.00 C ATOM 1779 O ASP A 109 2.082 18.104 -19.775 1.00 0.00 O ATOM 1780 CB ASP A 109 0.819 15.496 -20.772 1.00 0.00 C ATOM 1781 CG ASP A 109 0.065 16.510 -21.609 1.00 0.00 C ATOM 1782 OD1 ASP A 109 0.139 16.426 -22.853 1.00 0.00 O ATOM 1783 OD2 ASP A 109 -0.598 17.389 -21.020 1.00 0.00 O ATOM 0 H ASP A 109 2.628 14.080 -19.553 1.00 0.00 H new ATOM 0 HA ASP A 109 2.681 16.242 -21.551 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.740 14.514 -21.238 1.00 0.00 H new ATOM 0 HB3 ASP A 109 0.353 15.421 -19.789 1.00 0.00 H new ATOM 1788 N THR A 110 2.945 16.565 -18.378 1.00 0.00 N ATOM 1789 CA THR A 110 3.123 17.497 -17.273 1.00 0.00 C ATOM 1790 C THR A 110 4.518 17.368 -16.672 1.00 0.00 C ATOM 1791 O THR A 110 5.297 16.504 -17.072 1.00 0.00 O ATOM 1792 CB THR A 110 2.063 17.237 -16.206 1.00 0.00 C ATOM 1793 OG1 THR A 110 2.072 15.876 -15.810 1.00 0.00 O ATOM 1794 CG2 THR A 110 0.661 17.572 -16.669 1.00 0.00 C ATOM 0 H THR A 110 3.242 15.611 -18.174 1.00 0.00 H new ATOM 0 HA THR A 110 3.011 18.513 -17.653 1.00 0.00 H new ATOM 0 HB THR A 110 2.322 17.890 -15.373 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.302 15.699 -15.230 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.046 17.365 -15.866 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.609 18.627 -16.936 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.410 16.965 -17.539 1.00 0.00 H new ATOM 1802 N ARG A 111 4.835 18.230 -15.709 1.00 0.00 N ATOM 1803 CA ARG A 111 6.142 18.200 -15.063 1.00 0.00 C ATOM 1804 C ARG A 111 6.127 17.279 -13.848 1.00 0.00 C ATOM 1805 O ARG A 111 5.664 17.659 -12.772 1.00 0.00 O ATOM 1806 CB ARG A 111 6.561 19.611 -14.642 1.00 0.00 C ATOM 1807 CG ARG A 111 7.950 20.000 -15.118 1.00 0.00 C ATOM 1808 CD ARG A 111 7.921 20.517 -16.546 1.00 0.00 C ATOM 1809 NE ARG A 111 8.191 19.456 -17.515 1.00 0.00 N ATOM 1810 CZ ARG A 111 7.552 19.326 -18.678 1.00 0.00 C ATOM 1811 NH1 ARG A 111 6.627 20.203 -19.043 1.00 0.00 N ATOM 1812 NH2 ARG A 111 7.848 18.315 -19.485 1.00 0.00 N ATOM 0 H ARG A 111 4.207 18.954 -15.361 1.00 0.00 H new ATOM 0 HA ARG A 111 6.865 17.814 -15.782 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.838 20.327 -15.033 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.525 19.683 -13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.361 20.766 -14.460 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.613 19.137 -15.055 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.946 20.958 -16.753 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.660 21.310 -16.660 1.00 0.00 H new ATOM 0 HE ARG A 111 8.913 18.773 -17.287 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.398 20.987 -18.432 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.144 20.094 -19.935 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.563 17.639 -19.215 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.361 18.213 -20.375 1.00 0.00 H new ATOM 1826 N ILE A 112 6.640 16.067 -14.028 1.00 0.00 N ATOM 1827 CA ILE A 112 6.692 15.090 -12.949 1.00 0.00 C ATOM 1828 C ILE A 112 8.067 15.085 -12.289 1.00 0.00 C ATOM 1829 O ILE A 112 9.092 14.976 -12.964 1.00 0.00 O ATOM 1830 CB ILE A 112 6.360 13.670 -13.455 1.00 0.00 C ATOM 1831 CG1 ILE A 112 5.202 13.718 -14.456 1.00 0.00 C ATOM 1832 CG2 ILE A 112 6.017 12.758 -12.286 1.00 0.00 C ATOM 1833 CD1 ILE A 112 5.652 13.770 -15.899 1.00 0.00 C ATOM 0 H ILE A 112 7.026 15.738 -14.913 1.00 0.00 H new ATOM 0 HA ILE A 112 5.941 15.381 -12.215 1.00 0.00 H new ATOM 0 HB ILE A 112 7.237 13.267 -13.961 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.571 12.841 -14.312 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.586 14.592 -14.244 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.785 11.760 -12.659 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.867 12.703 -11.606 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.153 13.157 -11.755 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.779 13.802 -16.551 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.258 14.662 -16.059 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.243 12.884 -16.128 1.00 0.00 H new ATOM 1845 N ILE A 113 8.083 15.218 -10.968 1.00 0.00 N ATOM 1846 CA ILE A 113 9.329 15.241 -10.212 1.00 0.00 C ATOM 1847 C ILE A 113 9.196 14.452 -8.918 1.00 0.00 C ATOM 1848 O ILE A 113 8.244 14.647 -8.166 1.00 0.00 O ATOM 1849 CB ILE A 113 9.739 16.686 -9.863 1.00 0.00 C ATOM 1850 CG1 ILE A 113 9.633 17.590 -11.091 1.00 0.00 C ATOM 1851 CG2 ILE A 113 11.150 16.720 -9.295 1.00 0.00 C ATOM 1852 CD1 ILE A 113 9.642 19.066 -10.755 1.00 0.00 C ATOM 0 H ILE A 113 7.243 15.312 -10.396 1.00 0.00 H new ATOM 0 HA ILE A 113 10.093 14.786 -10.843 1.00 0.00 H new ATOM 0 HB ILE A 113 9.053 17.060 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.462 17.373 -11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.715 17.353 -11.629 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.421 17.748 -9.055 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.193 16.113 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 113 11.848 16.323 -10.032 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.564 19.649 -11.673 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.797 19.297 -10.106 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.571 19.317 -10.244 1.00 0.00 H new ATOM 1864 N ARG A 114 10.158 13.568 -8.658 1.00 0.00 N ATOM 1865 CA ARG A 114 10.145 12.759 -7.442 1.00 0.00 C ATOM 1866 C ARG A 114 11.515 12.740 -6.774 1.00 0.00 C ATOM 1867 O ARG A 114 12.546 12.698 -7.446 1.00 0.00 O ATOM 1868 CB ARG A 114 9.693 11.326 -7.738 1.00 0.00 C ATOM 1869 CG ARG A 114 10.588 10.595 -8.722 1.00 0.00 C ATOM 1870 CD ARG A 114 10.007 10.628 -10.126 1.00 0.00 C ATOM 1871 NE ARG A 114 10.761 9.784 -11.045 1.00 0.00 N ATOM 1872 CZ ARG A 114 11.949 10.111 -11.543 1.00 0.00 C ATOM 1873 NH1 ARG A 114 12.514 11.269 -11.224 1.00 0.00 N ATOM 1874 NH2 ARG A 114 12.575 9.280 -12.363 1.00 0.00 N ATOM 0 H ARG A 114 10.954 13.395 -9.272 1.00 0.00 H new ATOM 0 HA ARG A 114 9.432 13.218 -6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.660 10.765 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 114 8.677 11.349 -8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 114 11.578 11.051 -8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 114 10.715 9.561 -8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.969 10.297 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.004 11.654 -10.494 1.00 0.00 H new ATOM 0 HE ARG A 114 10.353 8.891 -11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 114 12.036 11.913 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 114 13.426 11.515 -11.609 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.145 8.389 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.487 9.531 -12.745 1.00 0.00 H new ATOM 1888 N GLU A 115 11.515 12.778 -5.446 1.00 0.00 N ATOM 1889 CA GLU A 115 12.755 12.770 -4.677 1.00 0.00 C ATOM 1890 C GLU A 115 12.639 11.861 -3.456 1.00 0.00 C ATOM 1891 O GLU A 115 11.564 11.721 -2.872 1.00 0.00 O ATOM 1892 CB GLU A 115 13.120 14.191 -4.238 1.00 0.00 C ATOM 1893 CG GLU A 115 14.412 14.269 -3.441 1.00 0.00 C ATOM 1894 CD GLU A 115 15.040 15.648 -3.479 1.00 0.00 C ATOM 1895 OE1 GLU A 115 14.530 16.551 -2.783 1.00 0.00 O ATOM 1896 OE2 GLU A 115 16.042 15.824 -4.202 1.00 0.00 O ATOM 0 H GLU A 115 10.668 12.815 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 115 13.545 12.382 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.209 14.824 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.307 14.597 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 115 14.213 13.993 -2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 115 15.121 13.540 -3.834 1.00 0.00 H new ATOM 1903 N GLY A 116 13.756 11.246 -3.077 1.00 0.00 N ATOM 1904 CA GLY A 116 13.762 10.364 -1.925 1.00 0.00 C ATOM 1905 C GLY A 116 13.433 8.928 -2.280 1.00 0.00 C ATOM 1906 O GLY A 116 12.706 8.255 -1.549 1.00 0.00 O ATOM 0 H GLY A 116 14.656 11.343 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.743 10.400 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.041 10.726 -1.193 1.00 0.00 H new ATOM 1910 N ARG A 117 13.967 8.455 -3.400 1.00 0.00 N ATOM 1911 CA ARG A 117 13.717 7.086 -3.839 1.00 0.00 C ATOM 1912 C ARG A 117 12.217 6.837 -3.984 1.00 0.00 C ATOM 1913 O ARG A 117 11.615 6.144 -3.164 1.00 0.00 O ATOM 1914 CB ARG A 117 14.325 6.089 -2.845 1.00 0.00 C ATOM 1915 CG ARG A 117 15.628 5.468 -3.327 1.00 0.00 C ATOM 1916 CD ARG A 117 15.825 4.066 -2.768 1.00 0.00 C ATOM 1917 NE ARG A 117 14.860 3.117 -3.316 1.00 0.00 N ATOM 1918 CZ ARG A 117 14.870 1.811 -3.056 1.00 0.00 C ATOM 1919 NH1 ARG A 117 15.793 1.290 -2.256 1.00 0.00 N ATOM 1920 NH2 ARG A 117 13.953 1.022 -3.599 1.00 0.00 N ATOM 0 H ARG A 117 14.573 8.995 -4.018 1.00 0.00 H new ATOM 0 HA ARG A 117 14.189 6.944 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 117 14.503 6.596 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 117 13.603 5.295 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 117 15.631 5.429 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 117 16.464 6.100 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 117 16.836 3.725 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 117 15.731 4.092 -1.682 1.00 0.00 H new ATOM 0 HE ARG A 117 14.134 3.476 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 117 16.502 1.891 -1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 117 15.793 0.289 -2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.241 1.416 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.959 0.021 -3.401 1.00 0.00 H new ATOM 1934 N ILE A 118 11.623 7.423 -5.024 1.00 0.00 N ATOM 1935 CA ILE A 118 10.192 7.288 -5.289 1.00 0.00 C ATOM 1936 C ILE A 118 9.368 7.434 -4.004 1.00 0.00 C ATOM 1937 O ILE A 118 8.574 6.562 -3.653 1.00 0.00 O ATOM 1938 CB ILE A 118 9.877 5.949 -6.017 1.00 0.00 C ATOM 1939 CG1 ILE A 118 8.608 6.085 -6.864 1.00 0.00 C ATOM 1940 CG2 ILE A 118 9.753 4.777 -5.050 1.00 0.00 C ATOM 1941 CD1 ILE A 118 7.341 6.221 -6.049 1.00 0.00 C ATOM 0 H ILE A 118 12.118 8.002 -5.703 1.00 0.00 H new ATOM 0 HA ILE A 118 9.903 8.101 -5.955 1.00 0.00 H new ATOM 0 HB ILE A 118 10.721 5.734 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.707 6.956 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.520 5.213 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.533 3.867 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.690 4.652 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.947 4.973 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.486 6.313 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.217 5.340 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.406 7.109 -5.420 1.00 0.00 H new ATOM 1953 N SER A 119 9.564 8.557 -3.309 1.00 0.00 N ATOM 1954 CA SER A 119 8.843 8.830 -2.067 1.00 0.00 C ATOM 1955 C SER A 119 7.981 10.089 -2.186 1.00 0.00 C ATOM 1956 O SER A 119 6.882 10.151 -1.635 1.00 0.00 O ATOM 1957 CB SER A 119 9.825 8.984 -0.904 1.00 0.00 C ATOM 1958 OG SER A 119 9.147 8.991 0.342 1.00 0.00 O ATOM 0 H SER A 119 10.216 9.291 -3.586 1.00 0.00 H new ATOM 0 HA SER A 119 8.185 7.983 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.547 8.168 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.388 9.910 -1.020 1.00 0.00 H new ATOM 0 HG SER A 119 9.798 9.089 1.068 1.00 0.00 H new ATOM 1964 N LEU A 120 8.486 11.090 -2.906 1.00 0.00 N ATOM 1965 CA LEU A 120 7.757 12.346 -3.089 1.00 0.00 C ATOM 1966 C LEU A 120 7.578 12.651 -4.574 1.00 0.00 C ATOM 1967 O LEU A 120 8.397 12.245 -5.397 1.00 0.00 O ATOM 1968 CB LEU A 120 8.508 13.514 -2.433 1.00 0.00 C ATOM 1969 CG LEU A 120 8.610 13.478 -0.904 1.00 0.00 C ATOM 1970 CD1 LEU A 120 7.241 13.272 -0.275 1.00 0.00 C ATOM 1971 CD2 LEU A 120 9.585 12.401 -0.456 1.00 0.00 C ATOM 0 H LEU A 120 9.393 11.057 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 120 6.781 12.231 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.517 13.546 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.017 14.443 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 120 8.992 14.441 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.339 13.250 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.581 14.090 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.820 12.328 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.643 12.392 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 120 9.241 11.429 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.572 12.609 -0.870 1.00 0.00 H new ATOM 1983 N LEU A 121 6.505 13.370 -4.907 1.00 0.00 N ATOM 1984 CA LEU A 121 6.226 13.733 -6.296 1.00 0.00 C ATOM 1985 C LEU A 121 5.201 14.869 -6.380 1.00 0.00 C ATOM 1986 O LEU A 121 4.270 14.931 -5.580 1.00 0.00 O ATOM 1987 CB LEU A 121 5.715 12.516 -7.076 1.00 0.00 C ATOM 1988 CG LEU A 121 5.786 12.647 -8.603 1.00 0.00 C ATOM 1989 CD1 LEU A 121 6.484 11.439 -9.217 1.00 0.00 C ATOM 1990 CD2 LEU A 121 4.391 12.817 -9.197 1.00 0.00 C ATOM 0 H LEU A 121 5.817 13.711 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 121 7.159 14.079 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 121 6.292 11.642 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.680 12.329 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 121 6.370 13.537 -8.839 1.00 0.00 H new ATOM 0 HD11 LEU A 121 6.523 11.553 -10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.498 11.365 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 121 5.931 10.533 -8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 121 4.466 12.908 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.781 11.949 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.929 13.716 -8.788 1.00 0.00 H new ATOM 2002 N LYS A 122 5.376 15.762 -7.358 1.00 0.00 N ATOM 2003 CA LYS A 122 4.458 16.891 -7.545 1.00 0.00 C ATOM 2004 C LYS A 122 3.828 16.867 -8.939 1.00 0.00 C ATOM 2005 O LYS A 122 4.475 16.492 -9.916 1.00 0.00 O ATOM 2006 CB LYS A 122 5.186 18.218 -7.318 1.00 0.00 C ATOM 2007 CG LYS A 122 4.319 19.447 -7.551 1.00 0.00 C ATOM 2008 CD LYS A 122 5.027 20.470 -8.422 1.00 0.00 C ATOM 2009 CE LYS A 122 5.265 19.931 -9.824 1.00 0.00 C ATOM 2010 NZ LYS A 122 6.680 19.513 -10.029 1.00 0.00 N ATOM 0 H LYS A 122 6.142 15.726 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 122 3.659 16.796 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.566 18.242 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.050 18.265 -7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.384 19.149 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.061 19.899 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.430 21.380 -8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.980 20.741 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.607 19.081 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.003 20.696 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.146 20.174 -10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.179 19.518 -9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.704 18.554 -10.431 1.00 0.00 H new ATOM 2024 N CYS A 123 2.559 17.272 -9.025 1.00 0.00 N ATOM 2025 CA CYS A 123 1.844 17.296 -10.300 1.00 0.00 C ATOM 2026 C CYS A 123 0.977 18.551 -10.416 1.00 0.00 C ATOM 2027 O CYS A 123 -0.182 18.483 -10.827 1.00 0.00 O ATOM 2028 CB CYS A 123 0.975 16.043 -10.448 1.00 0.00 C ATOM 2029 SG CYS A 123 1.806 14.658 -11.263 1.00 0.00 S ATOM 0 H CYS A 123 2.007 17.587 -8.227 1.00 0.00 H new ATOM 0 HA CYS A 123 2.583 17.312 -11.101 1.00 0.00 H new ATOM 0 HB2 CYS A 123 0.646 15.724 -9.459 1.00 0.00 H new ATOM 0 HB3 CYS A 123 0.080 16.300 -11.015 1.00 0.00 H new ATOM 0 HG CYS A 123 0.942 13.719 -11.511 1.00 0.00 H new ATOM 2034 N GLU A 124 1.549 19.693 -10.048 1.00 0.00 N ATOM 2035 CA GLU A 124 0.839 20.970 -10.103 1.00 0.00 C ATOM 2036 C GLU A 124 0.176 21.186 -11.463 1.00 0.00 C ATOM 2037 O GLU A 124 -0.840 21.874 -11.564 1.00 0.00 O ATOM 2038 CB GLU A 124 1.803 22.122 -9.813 1.00 0.00 C ATOM 2039 CG GLU A 124 1.900 22.481 -8.340 1.00 0.00 C ATOM 2040 CD GLU A 124 0.963 23.610 -7.950 1.00 0.00 C ATOM 2041 OE1 GLU A 124 0.438 24.288 -8.858 1.00 0.00 O ATOM 2042 OE2 GLU A 124 0.757 23.814 -6.735 1.00 0.00 O ATOM 0 H GLU A 124 2.508 19.762 -9.706 1.00 0.00 H new ATOM 0 HA GLU A 124 0.058 20.946 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.794 21.855 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.483 23.001 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.671 21.600 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.925 22.768 -8.107 1.00 0.00 H new ATOM 2049 N ALA A 125 0.756 20.600 -12.503 1.00 0.00 N ATOM 2050 CA ALA A 125 0.217 20.737 -13.850 1.00 0.00 C ATOM 2051 C ALA A 125 -1.133 20.037 -13.973 1.00 0.00 C ATOM 2052 O ALA A 125 -2.176 20.689 -14.015 1.00 0.00 O ATOM 2053 CB ALA A 125 1.202 20.189 -14.869 1.00 0.00 C ATOM 0 H ALA A 125 1.597 20.027 -12.440 1.00 0.00 H new ATOM 0 HA ALA A 125 0.062 21.797 -14.051 1.00 0.00 H new ATOM 0 HB1 ALA A 125 0.787 20.297 -15.871 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.139 20.741 -14.803 1.00 0.00 H new ATOM 0 HB3 ALA A 125 1.387 19.134 -14.665 1.00 0.00 H new ATOM 2059 N CYS A 126 -1.112 18.709 -14.021 1.00 0.00 N ATOM 2060 CA CYS A 126 -2.345 17.930 -14.126 1.00 0.00 C ATOM 2061 C CYS A 126 -3.021 17.787 -12.762 1.00 0.00 C ATOM 2062 O CYS A 126 -3.447 16.695 -12.379 1.00 0.00 O ATOM 2063 CB CYS A 126 -2.057 16.548 -14.716 1.00 0.00 C ATOM 2064 SG CYS A 126 -0.894 15.557 -13.749 1.00 0.00 S ATOM 0 H CYS A 126 -0.260 18.150 -13.989 1.00 0.00 H new ATOM 0 HA CYS A 126 -3.023 18.464 -14.791 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -2.996 16.001 -14.806 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -1.661 16.671 -15.724 1.00 0.00 H new ATOM 0 HG CYS A 126 -1.323 15.455 -12.526 1.00 0.00 H new ATOM 2069 N GLY A 127 -3.109 18.891 -12.029 1.00 0.00 N ATOM 2070 CA GLY A 127 -3.722 18.868 -10.715 1.00 0.00 C ATOM 2071 C GLY A 127 -2.756 19.293 -9.630 1.00 0.00 C ATOM 2072 O GLY A 127 -2.175 20.377 -9.696 1.00 0.00 O ATOM 0 H GLY A 127 -2.765 19.805 -12.323 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -4.589 19.529 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -4.086 17.863 -10.503 1.00 0.00 H new ATOM 2076 N ALA A 128 -2.573 18.437 -8.631 1.00 0.00 N ATOM 2077 CA ALA A 128 -1.658 18.733 -7.536 1.00 0.00 C ATOM 2078 C ALA A 128 -1.109 17.457 -6.907 1.00 0.00 C ATOM 2079 O ALA A 128 -1.752 16.408 -6.935 1.00 0.00 O ATOM 2080 CB ALA A 128 -2.338 19.595 -6.486 1.00 0.00 C ATOM 0 H ALA A 128 -3.045 17.536 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.817 19.289 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.637 19.804 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.661 20.533 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.205 19.067 -6.088 1.00 0.00 H new ATOM 2086 N LYS A 129 0.083 17.559 -6.337 1.00 0.00 N ATOM 2087 CA LYS A 129 0.731 16.424 -5.693 1.00 0.00 C ATOM 2088 C LYS A 129 1.682 16.913 -4.611 1.00 0.00 C ATOM 2089 O LYS A 129 2.162 18.042 -4.667 1.00 0.00 O ATOM 2090 CB LYS A 129 1.482 15.577 -6.719 1.00 0.00 C ATOM 2091 CG LYS A 129 1.289 14.081 -6.531 1.00 0.00 C ATOM 2092 CD LYS A 129 -0.008 13.604 -7.159 1.00 0.00 C ATOM 2093 CE LYS A 129 0.211 13.112 -8.582 1.00 0.00 C ATOM 2094 NZ LYS A 129 0.136 11.629 -8.678 1.00 0.00 N ATOM 0 H LYS A 129 0.625 18.423 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 129 -0.036 15.801 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.151 15.855 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.546 15.808 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.128 13.546 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.288 13.844 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.432 12.801 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -0.733 14.418 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -0.538 13.556 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.185 13.449 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -0.246 11.360 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.088 11.225 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.486 11.264 -7.929 1.00 0.00 H new ATOM 2108 N ALA A 130 1.942 16.066 -3.623 1.00 0.00 N ATOM 2109 CA ALA A 130 2.831 16.431 -2.528 1.00 0.00 C ATOM 2110 C ALA A 130 4.299 16.282 -2.942 1.00 0.00 C ATOM 2111 O ALA A 130 4.803 15.167 -3.087 1.00 0.00 O ATOM 2112 CB ALA A 130 2.528 15.574 -1.308 1.00 0.00 C ATOM 0 H ALA A 130 1.552 15.126 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 130 2.660 17.478 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.196 15.852 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.494 15.732 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 130 2.676 14.523 -1.556 1.00 0.00 H new ATOM 2118 N PRO A 131 5.002 17.417 -3.145 1.00 0.00 N ATOM 2119 CA PRO A 131 6.415 17.422 -3.553 1.00 0.00 C ATOM 2120 C PRO A 131 7.343 16.941 -2.434 1.00 0.00 C ATOM 2121 O PRO A 131 6.939 16.148 -1.583 1.00 0.00 O ATOM 2122 CB PRO A 131 6.676 18.897 -3.887 1.00 0.00 C ATOM 2123 CG PRO A 131 5.697 19.648 -3.059 1.00 0.00 C ATOM 2124 CD PRO A 131 4.469 18.788 -3.000 1.00 0.00 C ATOM 0 HA PRO A 131 6.609 16.745 -4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.700 19.183 -3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 131 6.531 19.095 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 131 6.092 19.836 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 131 5.474 20.619 -3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 131 3.935 18.914 -2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.768 19.033 -3.798 1.00 0.00 H new