USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 766 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 61 HIS : no HD1:sc= -4.96! C(o=-6.3!,f=-11!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 163:sc= -1.36! (180deg=-1.98!) USER MOD Set 2.1: A 39 ASN : amide:sc= -1.05 K(o=-1.6,f=-0.2) USER MOD Set 2.2: A 57 GLN : amide:sc= -0.564 K(o=-1.6,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.299) USER MOD Single : A 46 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.04) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.0347 (180deg=-0.35) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -1.94 (180deg=-2.29!) USER MOD Single : A 50 SER OG : rot -179:sc= -1.3 USER MOD Single : A 55 SER OG : rot -10:sc= 1.05 USER MOD Single : A 56 ASN : amide:sc= -2.59! K(o=-2.6!,f=-0.92) USER MOD Single : A 60 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.2!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 69 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -150:sc= -0.143 (180deg=-0.796) USER MOD Single : A 77 SER OG : rot -86:sc= -0.0575 USER MOD Single : A 80 CYS SG : rot -84:sc= -9.22! USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= -0.0915 (180deg=-0.42) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 98 ASN : amide:sc= -1.85! C(o=-1.8!,f=-6.4!) USER MOD Single : A 99 ASN : amide:sc= -2.1! X(o=-2.1!,f=-1.8) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= -0.0118 (180deg=-0.123) USER MOD Single : A 105 GLN : amide:sc= -3.33! K(o=-3.3!,f=-2.7) USER MOD Single : A 107 LYS NZ :NH3+ 139:sc= -1.03 (180deg=-2.03!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.712 K(o=-0.71,f=-0.064) USER MOD Single : A 115 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 122 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.12) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.174 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -5.926 1.690 2.687 1.00 0.33 N ATOM 516 CA PRO A 36 -6.330 2.048 1.334 1.00 0.40 C ATOM 517 C PRO A 36 -5.976 0.951 0.344 1.00 0.35 C ATOM 518 O PRO A 36 -6.575 0.836 -0.725 1.00 0.48 O ATOM 519 CB PRO A 36 -5.508 3.300 1.055 1.00 0.47 C ATOM 520 CG PRO A 36 -4.253 3.091 1.824 1.00 0.27 C ATOM 521 CD PRO A 36 -4.641 2.317 3.060 1.00 0.30 C ATOM 0 HA PRO A 36 -7.405 2.197 1.238 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.308 3.416 -0.010 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.030 4.200 1.381 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.522 2.540 1.233 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -3.796 4.044 2.089 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -3.890 1.570 3.318 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -4.750 2.971 3.925 1.00 0.30 H new ATOM 529 N ALA A 37 -4.993 0.147 0.726 1.00 0.27 N ATOM 530 CA ALA A 37 -4.529 -0.956 -0.098 1.00 0.31 C ATOM 531 C ALA A 37 -5.521 -2.108 -0.080 1.00 0.29 C ATOM 532 O ALA A 37 -5.601 -2.889 -1.031 1.00 0.35 O ATOM 533 CB ALA A 37 -3.168 -1.423 0.392 1.00 0.37 C ATOM 0 H ALA A 37 -4.498 0.242 1.613 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.442 -0.607 -1.127 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -2.822 -2.250 -0.228 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.456 -0.600 0.328 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.248 -1.754 1.427 1.00 0.37 H new ATOM 539 N GLU A 38 -6.287 -2.209 1.000 1.00 0.28 N ATOM 540 CA GLU A 38 -7.255 -3.284 1.130 1.00 0.30 C ATOM 541 C GLU A 38 -8.219 -3.301 -0.051 1.00 0.25 C ATOM 542 O GLU A 38 -8.863 -4.315 -0.321 1.00 0.25 O ATOM 543 CB GLU A 38 -8.011 -3.188 2.454 1.00 0.38 C ATOM 544 CG GLU A 38 -9.272 -2.340 2.389 1.00 0.39 C ATOM 545 CD GLU A 38 -9.932 -2.173 3.744 1.00 0.86 C ATOM 546 OE1 GLU A 38 -10.739 -3.048 4.122 1.00 1.36 O ATOM 547 OE2 GLU A 38 -9.641 -1.168 4.424 1.00 1.46 O ATOM 0 H GLU A 38 -6.255 -1.565 1.790 1.00 0.28 H new ATOM 0 HA GLU A 38 -6.707 -4.226 1.127 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.278 -4.193 2.781 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.345 -2.773 3.211 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.025 -1.358 1.986 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -9.979 -2.799 1.698 1.00 0.39 H new ATOM 554 N ASN A 39 -8.326 -2.174 -0.750 1.00 0.28 N ATOM 555 CA ASN A 39 -9.179 -2.103 -1.927 1.00 0.30 C ATOM 556 C ASN A 39 -8.586 -3.003 -2.998 1.00 0.24 C ATOM 557 O ASN A 39 -9.250 -3.908 -3.513 1.00 0.22 O ATOM 558 CB ASN A 39 -9.289 -0.665 -2.437 1.00 0.37 C ATOM 559 CG ASN A 39 -10.251 -0.539 -3.602 1.00 1.22 C ATOM 560 OD1 ASN A 39 -11.441 -0.285 -3.415 1.00 2.04 O ATOM 561 ND2 ASN A 39 -9.740 -0.721 -4.814 1.00 2.00 N ATOM 0 H ASN A 39 -7.838 -1.308 -0.523 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.185 -2.436 -1.672 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -9.619 -0.018 -1.624 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -8.303 -0.314 -2.743 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -10.340 -0.652 -5.636 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -8.748 -0.930 -4.923 1.00 2.00 H new ATOM 568 N PHE A 40 -7.318 -2.754 -3.319 1.00 0.23 N ATOM 569 CA PHE A 40 -6.614 -3.571 -4.289 1.00 0.21 C ATOM 570 C PHE A 40 -6.773 -5.025 -3.877 1.00 0.17 C ATOM 571 O PHE A 40 -7.004 -5.903 -4.706 1.00 0.19 O ATOM 572 CB PHE A 40 -5.128 -3.178 -4.351 1.00 0.23 C ATOM 573 CG PHE A 40 -4.175 -4.297 -4.018 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.772 -5.194 -4.993 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.675 -4.441 -2.736 1.00 1.48 C ATOM 576 CE1 PHE A 40 -2.888 -6.212 -4.696 1.00 2.32 C ATOM 577 CE2 PHE A 40 -2.793 -5.460 -2.433 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.438 -6.374 -3.403 1.00 2.54 C ATOM 0 H PHE A 40 -6.764 -1.996 -2.921 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.030 -3.418 -5.285 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -4.903 -2.811 -5.352 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -4.954 -2.351 -3.662 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.154 -5.096 -5.998 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -3.978 -3.749 -1.964 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.550 -6.880 -5.475 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.382 -5.541 -1.438 1.00 2.20 H new ATOM 0 HZ PHE A 40 -1.809 -7.215 -3.150 1.00 2.54 H new ATOM 588 N ARG A 41 -6.657 -5.257 -2.572 1.00 0.15 N ATOM 589 CA ARG A 41 -6.809 -6.588 -2.013 1.00 0.18 C ATOM 590 C ARG A 41 -8.183 -7.138 -2.342 1.00 0.21 C ATOM 591 O ARG A 41 -8.340 -8.321 -2.630 1.00 0.25 O ATOM 592 CB ARG A 41 -6.645 -6.556 -0.503 1.00 0.24 C ATOM 593 CG ARG A 41 -5.245 -6.268 -0.030 1.00 0.32 C ATOM 594 CD ARG A 41 -5.219 -6.130 1.477 1.00 0.33 C ATOM 595 NE ARG A 41 -6.558 -6.111 2.067 1.00 1.36 N ATOM 596 CZ ARG A 41 -6.853 -6.645 3.248 1.00 1.65 C ATOM 597 NH1 ARG A 41 -5.908 -7.237 3.967 1.00 1.07 N ATOM 598 NH2 ARG A 41 -8.092 -6.586 3.714 1.00 2.77 N ATOM 0 H ARG A 41 -6.457 -4.533 -1.882 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.040 -7.226 -2.448 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.315 -5.800 -0.094 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -6.961 -7.516 -0.096 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.576 -7.071 -0.340 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.879 -5.352 -0.493 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -4.651 -6.957 1.903 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -4.696 -5.212 1.744 1.00 0.33 H new ATOM 0 HE ARG A 41 -7.308 -5.662 1.542 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -4.952 -7.283 3.614 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -6.137 -7.646 4.873 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -8.822 -6.130 3.166 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -8.316 -6.996 4.620 1.00 2.77 H new ATOM 612 N VAL A 42 -9.187 -6.272 -2.272 1.00 0.21 N ATOM 613 CA VAL A 42 -10.546 -6.671 -2.573 1.00 0.24 C ATOM 614 C VAL A 42 -10.630 -7.209 -3.991 1.00 0.20 C ATOM 615 O VAL A 42 -11.181 -8.278 -4.221 1.00 0.26 O ATOM 616 CB VAL A 42 -11.542 -5.505 -2.382 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.798 -5.712 -3.214 1.00 0.35 C ATOM 618 CG2 VAL A 42 -11.903 -5.360 -0.913 1.00 0.35 C ATOM 0 H VAL A 42 -9.081 -5.292 -2.009 1.00 0.21 H new ATOM 0 HA VAL A 42 -10.824 -7.458 -1.872 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.059 -4.589 -2.723 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.479 -4.876 -3.059 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.530 -5.771 -4.269 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.286 -6.639 -2.912 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.605 -4.535 -0.791 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.362 -6.283 -0.558 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -11.001 -5.157 -0.335 1.00 0.35 H new ATOM 628 N LEU A 43 -10.060 -6.479 -4.940 1.00 0.15 N ATOM 629 CA LEU A 43 -10.092 -6.921 -6.332 1.00 0.15 C ATOM 630 C LEU A 43 -9.325 -8.228 -6.528 1.00 0.12 C ATOM 631 O LEU A 43 -9.782 -9.112 -7.250 1.00 0.14 O ATOM 632 CB LEU A 43 -9.542 -5.840 -7.261 1.00 0.16 C ATOM 633 CG LEU A 43 -10.349 -4.547 -7.279 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.758 -3.558 -6.300 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.405 -3.957 -8.678 1.00 0.24 C ATOM 0 H LEU A 43 -9.578 -5.595 -4.779 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.136 -7.104 -6.588 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.519 -5.610 -6.963 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.497 -6.239 -8.274 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.372 -4.772 -6.976 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.340 -2.636 -6.318 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.781 -3.982 -5.296 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.727 -3.342 -6.579 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -10.987 -3.035 -8.661 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.394 -3.741 -9.023 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -10.875 -4.670 -9.355 1.00 0.24 H new ATOM 647 N VAL A 44 -8.165 -8.355 -5.883 1.00 0.11 N ATOM 648 CA VAL A 44 -7.365 -9.572 -6.015 1.00 0.12 C ATOM 649 C VAL A 44 -8.025 -10.746 -5.296 1.00 0.15 C ATOM 650 O VAL A 44 -7.857 -11.901 -5.689 1.00 0.20 O ATOM 651 CB VAL A 44 -5.926 -9.400 -5.471 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.275 -8.150 -6.029 1.00 0.14 C ATOM 653 CG2 VAL A 44 -5.918 -9.367 -3.956 1.00 0.14 C ATOM 0 H VAL A 44 -7.764 -7.643 -5.273 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.307 -9.776 -7.084 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.346 -10.262 -5.800 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.265 -8.056 -5.629 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.230 -8.218 -7.116 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.861 -7.276 -5.744 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.895 -9.245 -3.600 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.525 -8.532 -3.607 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.328 -10.300 -3.570 1.00 0.14 H new ATOM 663 N LYS A 45 -8.778 -10.442 -4.241 1.00 0.19 N ATOM 664 CA LYS A 45 -9.455 -11.473 -3.461 1.00 0.26 C ATOM 665 C LYS A 45 -10.855 -11.735 -4.011 1.00 0.27 C ATOM 666 O LYS A 45 -11.490 -12.733 -3.673 1.00 0.32 O ATOM 667 CB LYS A 45 -9.525 -11.064 -1.981 1.00 0.32 C ATOM 668 CG LYS A 45 -10.651 -10.094 -1.661 1.00 0.34 C ATOM 669 CD LYS A 45 -10.716 -9.781 -0.175 1.00 0.42 C ATOM 670 CE LYS A 45 -9.498 -8.998 0.290 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.602 -8.609 1.724 1.00 0.75 N ATOM 0 H LYS A 45 -8.934 -9.491 -3.908 1.00 0.19 H new ATOM 0 HA LYS A 45 -8.880 -12.396 -3.540 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.647 -11.960 -1.372 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.576 -10.611 -1.695 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.507 -9.171 -2.222 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.601 -10.519 -1.986 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.619 -9.208 0.037 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -10.788 -10.711 0.390 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.601 -9.599 0.141 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.387 -8.103 -0.322 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -8.648 -8.489 2.121 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.126 -7.714 1.804 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -10.105 -9.352 2.250 1.00 0.75 H new ATOM 685 N GLN A 46 -11.330 -10.829 -4.865 1.00 0.26 N ATOM 686 CA GLN A 46 -12.652 -10.962 -5.472 1.00 0.31 C ATOM 687 C GLN A 46 -12.532 -11.210 -6.975 1.00 0.34 C ATOM 688 O GLN A 46 -11.499 -11.675 -7.455 1.00 0.38 O ATOM 689 CB GLN A 46 -13.490 -9.706 -5.213 1.00 0.30 C ATOM 690 CG GLN A 46 -13.755 -9.442 -3.740 1.00 0.30 C ATOM 691 CD GLN A 46 -14.578 -10.535 -3.087 1.00 0.37 C ATOM 692 OE1 GLN A 46 -15.808 -10.472 -3.065 1.00 1.06 O ATOM 693 NE2 GLN A 46 -13.904 -11.545 -2.549 1.00 1.27 N ATOM 0 H GLN A 46 -10.818 -9.995 -5.152 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.151 -11.817 -5.016 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.979 -8.844 -5.641 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.443 -9.802 -5.733 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.804 -9.347 -3.216 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.274 -8.490 -3.634 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -12.885 -11.557 -2.590 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -14.405 -12.308 -2.095 1.00 1.27 H new ATOM 702 N LYS A 47 -13.595 -10.895 -7.710 1.00 0.40 N ATOM 703 CA LYS A 47 -13.615 -11.087 -9.158 1.00 0.46 C ATOM 704 C LYS A 47 -13.379 -9.770 -9.894 1.00 0.42 C ATOM 705 O LYS A 47 -13.221 -9.752 -11.115 1.00 0.47 O ATOM 706 CB LYS A 47 -14.964 -11.663 -9.585 1.00 0.52 C ATOM 707 CG LYS A 47 -16.108 -10.670 -9.442 1.00 0.53 C ATOM 708 CD LYS A 47 -17.434 -11.269 -9.888 1.00 0.85 C ATOM 709 CE LYS A 47 -17.429 -11.613 -11.369 1.00 1.64 C ATOM 710 NZ LYS A 47 -17.123 -10.426 -12.215 1.00 2.55 N ATOM 0 H LYS A 47 -14.456 -10.505 -7.326 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.813 -11.779 -9.416 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -14.901 -11.989 -10.623 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.181 -12.547 -8.986 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.185 -10.351 -8.403 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -15.893 -9.780 -10.034 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.641 -12.168 -9.307 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -18.239 -10.564 -9.681 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -16.691 -12.393 -11.558 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.401 -12.018 -11.651 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -17.374 -10.630 -13.203 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -17.673 -9.609 -11.879 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -16.108 -10.208 -12.154 1.00 2.55 H new ATOM 724 N LYS A 48 -13.365 -8.674 -9.143 1.00 0.36 N ATOM 725 CA LYS A 48 -13.174 -7.345 -9.713 1.00 0.40 C ATOM 726 C LYS A 48 -12.012 -7.297 -10.707 1.00 0.53 C ATOM 727 O LYS A 48 -12.223 -7.347 -11.920 1.00 1.19 O ATOM 728 CB LYS A 48 -12.949 -6.322 -8.602 1.00 0.32 C ATOM 729 CG LYS A 48 -14.197 -5.544 -8.217 1.00 0.73 C ATOM 730 CD LYS A 48 -15.223 -6.428 -7.530 1.00 0.46 C ATOM 731 CE LYS A 48 -14.814 -6.737 -6.101 1.00 0.89 C ATOM 732 NZ LYS A 48 -15.830 -7.571 -5.401 1.00 1.46 N ATOM 0 H LYS A 48 -13.485 -8.681 -8.130 1.00 0.36 H new ATOM 0 HA LYS A 48 -14.083 -7.099 -10.262 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.567 -6.836 -7.720 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -12.179 -5.619 -8.919 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.923 -4.723 -7.555 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -14.639 -5.101 -9.109 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -16.194 -5.933 -7.534 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.337 -7.358 -8.087 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -13.856 -7.257 -6.102 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.671 -5.805 -5.555 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.630 -7.577 -4.380 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.777 -7.175 -5.566 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -15.793 -8.544 -5.767 1.00 1.46 H new ATOM 746 N ALA A 49 -10.789 -7.199 -10.191 1.00 0.26 N ATOM 747 CA ALA A 49 -9.605 -7.119 -11.042 1.00 0.22 C ATOM 748 C ALA A 49 -8.567 -8.173 -10.681 1.00 0.20 C ATOM 749 O ALA A 49 -8.696 -8.876 -9.679 1.00 0.24 O ATOM 750 CB ALA A 49 -8.980 -5.742 -10.930 1.00 0.21 C ATOM 0 H ALA A 49 -10.592 -7.173 -9.190 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.929 -7.304 -12.066 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.097 -5.690 -11.568 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.701 -4.988 -11.246 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.692 -5.556 -9.895 1.00 0.21 H new ATOM 756 N SER A 50 -7.537 -8.270 -11.516 1.00 0.21 N ATOM 757 CA SER A 50 -6.449 -9.207 -11.288 1.00 0.21 C ATOM 758 C SER A 50 -5.441 -8.589 -10.332 1.00 0.18 C ATOM 759 O SER A 50 -5.543 -7.409 -9.999 1.00 0.19 O ATOM 760 CB SER A 50 -5.769 -9.565 -12.612 1.00 0.25 C ATOM 761 OG SER A 50 -5.500 -8.403 -13.377 1.00 0.27 O ATOM 0 H SER A 50 -7.436 -7.707 -12.360 1.00 0.21 H new ATOM 0 HA SER A 50 -6.850 -10.120 -10.849 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.839 -10.098 -12.414 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.408 -10.240 -13.182 1.00 0.25 H new ATOM 0 HG SER A 50 -5.079 -8.659 -14.224 1.00 0.27 H new ATOM 767 N PHE A 51 -4.473 -9.376 -9.885 1.00 0.19 N ATOM 768 CA PHE A 51 -3.466 -8.870 -8.964 1.00 0.20 C ATOM 769 C PHE A 51 -2.681 -7.729 -9.599 1.00 0.23 C ATOM 770 O PHE A 51 -2.011 -6.964 -8.907 1.00 0.26 O ATOM 771 CB PHE A 51 -2.510 -9.983 -8.534 1.00 0.23 C ATOM 772 CG PHE A 51 -1.650 -9.593 -7.367 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.102 -9.759 -6.067 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.383 -9.077 -7.573 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.304 -9.413 -4.995 1.00 0.97 C ATOM 776 CE2 PHE A 51 0.420 -8.733 -6.505 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.079 -8.844 -5.204 1.00 0.43 C ATOM 0 H PHE A 51 -4.364 -10.357 -10.142 1.00 0.19 H new ATOM 0 HA PHE A 51 -3.982 -8.494 -8.080 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.087 -10.871 -8.274 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.872 -10.253 -9.376 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.088 -10.163 -5.891 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -0.019 -8.942 -8.581 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.649 -9.593 -3.987 1.00 0.97 H new ATOM 0 HE2 PHE A 51 1.427 -8.380 -6.673 1.00 1.05 H new ATOM 0 HZ PHE A 51 0.501 -8.482 -4.368 1.00 0.43 H new ATOM 787 N GLU A 52 -2.775 -7.610 -10.918 1.00 0.25 N ATOM 788 CA GLU A 52 -2.056 -6.568 -11.635 1.00 0.28 C ATOM 789 C GLU A 52 -2.833 -5.252 -11.660 1.00 0.25 C ATOM 790 O GLU A 52 -2.311 -4.219 -11.250 1.00 0.28 O ATOM 791 CB GLU A 52 -1.713 -7.053 -13.051 1.00 0.33 C ATOM 792 CG GLU A 52 -2.784 -6.779 -14.097 1.00 0.35 C ATOM 793 CD GLU A 52 -2.446 -7.377 -15.449 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.742 -6.709 -16.235 1.00 0.83 O ATOM 795 OE2 GLU A 52 -2.886 -8.513 -15.721 1.00 0.80 O ATOM 0 H GLU A 52 -3.340 -8.220 -11.509 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.127 -6.364 -11.103 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.785 -6.577 -13.368 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.525 -8.126 -13.017 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.735 -7.184 -13.752 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -2.916 -5.702 -14.203 1.00 0.35 H new ATOM 802 N GLU A 53 -4.074 -5.288 -12.137 1.00 0.24 N ATOM 803 CA GLU A 53 -4.900 -4.087 -12.192 1.00 0.23 C ATOM 804 C GLU A 53 -5.164 -3.578 -10.789 1.00 0.19 C ATOM 805 O GLU A 53 -5.184 -2.372 -10.542 1.00 0.21 O ATOM 806 CB GLU A 53 -6.223 -4.381 -12.895 1.00 0.27 C ATOM 807 CG GLU A 53 -7.245 -3.263 -12.762 1.00 1.06 C ATOM 808 CD GLU A 53 -8.374 -3.377 -13.768 1.00 1.05 C ATOM 809 OE1 GLU A 53 -9.355 -4.093 -13.480 1.00 1.23 O ATOM 810 OE2 GLU A 53 -8.277 -2.749 -14.842 1.00 1.26 O ATOM 0 H GLU A 53 -4.527 -6.131 -12.489 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.367 -3.323 -12.757 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.030 -4.562 -13.952 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.646 -5.299 -12.486 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.660 -3.274 -11.754 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.745 -2.303 -12.891 1.00 1.06 H new ATOM 817 N ALA A 54 -5.371 -4.512 -9.876 1.00 0.19 N ATOM 818 CA ALA A 54 -5.623 -4.178 -8.489 1.00 0.16 C ATOM 819 C ALA A 54 -4.410 -3.484 -7.885 1.00 0.18 C ATOM 820 O ALA A 54 -4.520 -2.373 -7.359 1.00 0.17 O ATOM 821 CB ALA A 54 -5.976 -5.431 -7.712 1.00 0.16 C ATOM 0 H ALA A 54 -5.369 -5.512 -10.075 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.467 -3.490 -8.434 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.164 -5.172 -6.670 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -6.870 -5.885 -8.140 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.148 -6.138 -7.766 1.00 0.16 H new ATOM 827 N SER A 55 -3.245 -4.127 -7.976 1.00 0.26 N ATOM 828 CA SER A 55 -2.030 -3.537 -7.437 1.00 0.31 C ATOM 829 C SER A 55 -1.748 -2.237 -8.165 1.00 0.33 C ATOM 830 O SER A 55 -1.177 -1.306 -7.605 1.00 0.39 O ATOM 831 CB SER A 55 -0.842 -4.486 -7.584 1.00 0.43 C ATOM 832 OG SER A 55 -1.042 -5.680 -6.851 1.00 1.20 O ATOM 0 H SER A 55 -3.122 -5.041 -8.411 1.00 0.26 H new ATOM 0 HA SER A 55 -2.174 -3.346 -6.373 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.693 -4.724 -8.637 1.00 0.43 H new ATOM 0 HB3 SER A 55 0.066 -3.992 -7.237 1.00 0.43 H new ATOM 0 HG SER A 55 -1.827 -5.581 -6.273 1.00 1.20 H new ATOM 838 N ASN A 56 -2.171 -2.189 -9.423 1.00 0.32 N ATOM 839 CA ASN A 56 -1.987 -1.010 -10.249 1.00 0.35 C ATOM 840 C ASN A 56 -2.762 0.163 -9.672 1.00 0.30 C ATOM 841 O ASN A 56 -2.246 1.275 -9.588 1.00 0.34 O ATOM 842 CB ASN A 56 -2.433 -1.296 -11.689 1.00 0.40 C ATOM 843 CG ASN A 56 -1.307 -1.842 -12.549 1.00 0.49 C ATOM 844 OD1 ASN A 56 -1.535 -2.656 -13.444 1.00 1.19 O ATOM 845 ND2 ASN A 56 -0.085 -1.390 -12.287 1.00 1.19 N ATOM 0 H ASN A 56 -2.646 -2.960 -9.892 1.00 0.32 H new ATOM 0 HA ASN A 56 -0.928 -0.751 -10.261 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.255 -2.011 -11.676 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -2.816 -0.379 -12.136 1.00 0.40 H new ATOM 0 HD21 ASN A 56 0.709 -1.718 -12.837 1.00 1.19 H new ATOM 0 HD22 ASN A 56 0.059 -0.715 -11.536 1.00 1.19 H new ATOM 852 N GLN A 57 -4.000 -0.095 -9.271 1.00 0.25 N ATOM 853 CA GLN A 57 -4.832 0.940 -8.681 1.00 0.24 C ATOM 854 C GLN A 57 -4.315 1.281 -7.293 1.00 0.20 C ATOM 855 O GLN A 57 -4.508 2.393 -6.801 1.00 0.19 O ATOM 856 CB GLN A 57 -6.289 0.483 -8.607 1.00 0.27 C ATOM 857 CG GLN A 57 -7.250 1.582 -8.185 1.00 0.85 C ATOM 858 CD GLN A 57 -8.685 1.103 -8.116 1.00 1.10 C ATOM 859 OE1 GLN A 57 -9.154 0.657 -7.070 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.393 1.192 -9.236 1.00 1.57 N ATOM 0 H GLN A 57 -4.447 -1.009 -9.344 1.00 0.25 H new ATOM 0 HA GLN A 57 -4.786 1.830 -9.309 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.592 0.102 -9.582 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.366 -0.346 -7.903 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.951 1.966 -7.210 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -7.181 2.411 -8.889 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -8.965 1.568 -10.082 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.365 0.884 -9.251 1.00 1.57 H new ATOM 869 N LEU A 58 -3.658 0.308 -6.659 1.00 0.19 N ATOM 870 CA LEU A 58 -3.094 0.519 -5.332 1.00 0.17 C ATOM 871 C LEU A 58 -1.954 1.526 -5.414 1.00 0.17 C ATOM 872 O LEU A 58 -1.983 2.559 -4.744 1.00 0.18 O ATOM 873 CB LEU A 58 -2.579 -0.806 -4.734 1.00 0.19 C ATOM 874 CG LEU A 58 -2.619 -0.926 -3.193 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.511 -1.845 -2.694 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.504 0.439 -2.528 1.00 0.20 C ATOM 0 H LEU A 58 -3.506 -0.625 -7.042 1.00 0.19 H new ATOM 0 HA LEU A 58 -3.878 0.906 -4.681 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.166 -1.622 -5.156 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.550 -0.951 -5.061 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.583 -1.357 -2.923 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.558 -1.915 -1.607 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.638 -2.837 -3.127 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.543 -1.441 -2.990 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.535 0.320 -1.445 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.561 0.905 -2.815 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.333 1.070 -2.848 1.00 0.20 H new ATOM 888 N ILE A 59 -0.959 1.234 -6.251 1.00 0.19 N ATOM 889 CA ILE A 59 0.173 2.137 -6.400 1.00 0.20 C ATOM 890 C ILE A 59 -0.319 3.473 -6.938 1.00 0.18 C ATOM 891 O ILE A 59 0.140 4.535 -6.523 1.00 0.16 O ATOM 892 CB ILE A 59 1.234 1.588 -7.377 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.435 0.089 -7.166 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.547 2.335 -7.197 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.588 -0.700 -8.441 1.00 0.38 C ATOM 0 H ILE A 59 -0.916 0.393 -6.826 1.00 0.19 H new ATOM 0 HA ILE A 59 0.632 2.246 -5.418 1.00 0.20 H new ATOM 0 HB ILE A 59 0.882 1.743 -8.397 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.320 -0.064 -6.549 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.586 -0.305 -6.608 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.289 1.940 -7.891 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.393 3.395 -7.396 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.902 2.206 -6.175 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.726 -1.754 -8.202 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.693 -0.581 -9.052 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.455 -0.336 -8.992 1.00 0.38 H new ATOM 907 N ASN A 60 -1.259 3.401 -7.882 1.00 0.20 N ATOM 908 CA ASN A 60 -1.845 4.591 -8.490 1.00 0.20 C ATOM 909 C ASN A 60 -2.411 5.505 -7.416 1.00 0.17 C ATOM 910 O ASN A 60 -2.146 6.709 -7.399 1.00 0.18 O ATOM 911 CB ASN A 60 -2.943 4.193 -9.476 1.00 0.22 C ATOM 912 CG ASN A 60 -2.403 3.881 -10.858 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.392 4.440 -11.284 1.00 0.81 O ATOM 914 ND2 ASN A 60 -3.079 2.988 -11.569 1.00 1.05 N ATOM 0 H ASN A 60 -1.631 2.522 -8.243 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.066 5.128 -9.031 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.472 3.321 -9.092 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.671 5.001 -9.549 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -2.766 2.741 -12.508 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -3.912 2.549 -11.177 1.00 1.05 H new ATOM 921 N HIS A 61 -3.200 4.925 -6.519 1.00 0.16 N ATOM 922 CA HIS A 61 -3.775 5.681 -5.425 1.00 0.16 C ATOM 923 C HIS A 61 -2.640 6.268 -4.597 1.00 0.13 C ATOM 924 O HIS A 61 -2.708 7.406 -4.119 1.00 0.12 O ATOM 925 CB HIS A 61 -4.673 4.767 -4.588 1.00 0.20 C ATOM 926 CG HIS A 61 -4.393 4.817 -3.129 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.307 4.198 -2.565 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.049 5.427 -2.119 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.302 4.421 -1.271 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.347 5.166 -0.970 1.00 0.30 N ATOM 0 H HIS A 61 -3.453 3.937 -6.532 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.393 6.497 -5.798 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.714 5.043 -4.758 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.554 3.741 -4.936 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -5.955 6.010 -2.200 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.565 4.055 -0.571 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.593 5.494 -0.036 1.00 0.30 H new ATOM 939 N ILE A 62 -1.584 5.475 -4.455 1.00 0.14 N ATOM 940 CA ILE A 62 -0.399 5.890 -3.727 1.00 0.13 C ATOM 941 C ILE A 62 0.273 7.049 -4.446 1.00 0.11 C ATOM 942 O ILE A 62 0.953 7.863 -3.827 1.00 0.12 O ATOM 943 CB ILE A 62 0.595 4.726 -3.587 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.002 3.638 -2.702 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.922 5.217 -3.032 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.112 4.025 -1.244 1.00 0.75 C ATOM 0 H ILE A 62 -1.529 4.532 -4.840 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.706 6.207 -2.730 1.00 0.13 H new ATOM 0 HB ILE A 62 0.786 4.303 -4.573 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -0.994 3.383 -3.076 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.610 2.740 -2.784 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.611 4.377 -2.941 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.345 5.962 -3.706 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.763 5.664 -2.051 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.546 3.199 -0.680 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.880 4.251 -0.852 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.749 4.904 -1.148 1.00 0.75 H new ATOM 958 N GLU A 63 0.087 7.110 -5.760 1.00 0.12 N ATOM 959 CA GLU A 63 0.658 8.185 -6.553 1.00 0.13 C ATOM 960 C GLU A 63 -0.095 9.473 -6.267 1.00 0.12 C ATOM 961 O GLU A 63 0.509 10.531 -6.096 1.00 0.11 O ATOM 962 CB GLU A 63 0.612 7.845 -8.042 1.00 0.17 C ATOM 963 CG GLU A 63 1.495 6.665 -8.406 1.00 0.17 C ATOM 964 CD GLU A 63 1.501 6.375 -9.894 1.00 0.21 C ATOM 965 OE1 GLU A 63 2.181 7.110 -10.640 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.823 5.413 -10.313 1.00 0.70 O ATOM 0 H GLU A 63 -0.453 6.429 -6.294 1.00 0.12 H new ATOM 0 HA GLU A 63 1.705 8.316 -6.279 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.417 7.624 -8.328 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.923 8.716 -8.618 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.514 6.864 -8.075 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.152 5.781 -7.869 1.00 0.17 H new ATOM 973 N GLN A 64 -1.423 9.375 -6.220 1.00 0.14 N ATOM 974 CA GLN A 64 -2.249 10.531 -5.900 1.00 0.14 C ATOM 975 C GLN A 64 -1.778 11.097 -4.567 1.00 0.11 C ATOM 976 O GLN A 64 -1.537 12.304 -4.420 1.00 0.10 O ATOM 977 CB GLN A 64 -3.725 10.134 -5.824 1.00 0.18 C ATOM 978 CG GLN A 64 -4.655 11.292 -5.499 1.00 0.91 C ATOM 979 CD GLN A 64 -6.114 10.878 -5.486 1.00 1.57 C ATOM 980 OE1 GLN A 64 -6.443 9.732 -5.179 1.00 2.40 O ATOM 981 NE2 GLN A 64 -6.997 11.812 -5.819 1.00 2.11 N ATOM 0 H GLN A 64 -1.943 8.515 -6.398 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.152 11.285 -6.681 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -4.024 9.697 -6.777 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.845 9.360 -5.066 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.389 11.705 -4.526 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -4.512 12.086 -6.232 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -6.679 12.749 -6.067 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -7.993 11.592 -5.827 1.00 2.11 H new ATOM 990 N PHE A 65 -1.636 10.209 -3.588 1.00 0.11 N ATOM 991 CA PHE A 65 -1.142 10.619 -2.290 1.00 0.11 C ATOM 992 C PHE A 65 0.244 11.237 -2.470 1.00 0.10 C ATOM 993 O PHE A 65 0.499 12.356 -2.038 1.00 0.12 O ATOM 994 CB PHE A 65 -1.068 9.430 -1.321 1.00 0.14 C ATOM 995 CG PHE A 65 0.255 9.338 -0.624 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.676 10.346 0.231 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.096 8.271 -0.864 1.00 0.14 C ATOM 998 CE1 PHE A 65 1.911 10.282 0.835 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.333 8.207 -0.268 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.740 9.213 0.581 1.00 0.16 C ATOM 0 H PHE A 65 -1.854 9.216 -3.672 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.829 11.349 -1.862 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.861 9.521 -0.578 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.251 8.506 -1.870 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.029 11.189 0.424 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.780 7.479 -1.526 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.228 11.067 1.505 1.00 0.18 H new ATOM 0 HE2 PHE A 65 2.985 7.369 -0.465 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.712 9.163 1.049 1.00 0.16 H new ATOM 1010 N LEU A 66 1.140 10.491 -3.110 1.00 0.09 N ATOM 1011 CA LEU A 66 2.496 10.966 -3.336 1.00 0.10 C ATOM 1012 C LEU A 66 2.469 12.299 -4.067 1.00 0.11 C ATOM 1013 O LEU A 66 3.459 13.029 -4.092 1.00 0.17 O ATOM 1014 CB LEU A 66 3.323 9.920 -4.091 1.00 0.11 C ATOM 1015 CG LEU A 66 3.885 8.795 -3.207 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.624 7.768 -4.043 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.808 9.354 -2.127 1.00 0.08 C ATOM 0 H LEU A 66 0.950 9.559 -3.479 1.00 0.09 H new ATOM 0 HA LEU A 66 2.980 11.122 -2.372 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.702 9.477 -4.870 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.152 10.422 -4.590 1.00 0.11 H new ATOM 0 HG LEU A 66 3.041 8.306 -2.720 1.00 0.10 H new ATOM 0 HD11 LEU A 66 5.012 6.982 -3.395 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.941 7.332 -4.772 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.451 8.250 -4.564 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.191 8.536 -1.517 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.641 9.878 -2.596 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.252 10.048 -1.496 1.00 0.08 H new ATOM 1029 N ASP A 67 1.326 12.612 -4.671 1.00 0.09 N ATOM 1030 CA ASP A 67 1.165 13.888 -5.340 1.00 0.10 C ATOM 1031 C ASP A 67 0.922 14.947 -4.273 1.00 0.11 C ATOM 1032 O ASP A 67 1.427 16.067 -4.363 1.00 0.13 O ATOM 1033 CB ASP A 67 0.012 13.852 -6.345 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.077 15.122 -7.170 1.00 0.12 C ATOM 1035 OD1 ASP A 67 0.659 15.231 -8.173 1.00 0.18 O ATOM 1036 OD2 ASP A 67 -0.886 16.005 -6.815 1.00 0.17 O ATOM 0 H ASP A 67 0.509 12.003 -4.708 1.00 0.09 H new ATOM 0 HA ASP A 67 2.066 14.122 -5.907 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.140 12.998 -7.010 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.927 13.702 -5.812 1.00 0.11 H new ATOM 1041 N THR A 68 0.133 14.579 -3.254 1.00 0.10 N ATOM 1042 CA THR A 68 -0.138 15.490 -2.138 1.00 0.12 C ATOM 1043 C THR A 68 1.143 15.741 -1.341 1.00 0.13 C ATOM 1044 O THR A 68 2.212 15.251 -1.702 1.00 0.13 O ATOM 1045 CB THR A 68 -1.244 14.963 -1.181 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.886 16.068 -0.534 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.698 14.016 -0.114 1.00 0.13 C ATOM 0 H THR A 68 -0.322 13.669 -3.181 1.00 0.10 H new ATOM 0 HA THR A 68 -0.501 16.420 -2.576 1.00 0.12 H new ATOM 0 HB THR A 68 -1.953 14.403 -1.791 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.584 15.734 0.068 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.514 13.679 0.526 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.235 13.154 -0.595 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.045 14.538 0.490 1.00 0.13 H new ATOM 1055 N ASN A 69 1.028 16.504 -0.259 1.00 0.15 N ATOM 1056 CA ASN A 69 2.180 16.819 0.580 1.00 0.17 C ATOM 1057 C ASN A 69 2.049 16.202 1.973 1.00 0.18 C ATOM 1058 O ASN A 69 2.896 16.418 2.840 1.00 0.20 O ATOM 1059 CB ASN A 69 2.327 18.333 0.697 1.00 0.19 C ATOM 1060 CG ASN A 69 2.817 18.969 -0.588 1.00 0.21 C ATOM 1061 OD1 ASN A 69 3.562 18.356 -1.353 1.00 0.91 O ATOM 1062 ND2 ASN A 69 2.400 20.205 -0.832 1.00 1.16 N ATOM 0 H ASN A 69 0.150 16.916 0.058 1.00 0.15 H new ATOM 0 HA ASN A 69 3.067 16.394 0.110 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.366 18.768 0.971 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.023 18.566 1.503 1.00 0.19 H new ATOM 0 HD21 ASN A 69 2.697 20.685 -1.682 1.00 1.16 H new ATOM 0 HD22 ASN A 69 1.783 20.675 -0.170 1.00 1.16 H new ATOM 1069 N GLU A 70 0.988 15.432 2.179 1.00 0.17 N ATOM 1070 CA GLU A 70 0.735 14.789 3.466 1.00 0.19 C ATOM 1071 C GLU A 70 1.576 13.524 3.624 1.00 0.17 C ATOM 1072 O GLU A 70 1.671 12.720 2.699 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.749 14.430 3.579 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.678 15.507 3.039 1.00 0.22 C ATOM 1075 CD GLU A 70 -2.006 16.567 4.072 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -2.908 16.330 4.901 1.00 0.73 O ATOM 1077 OE2 GLU A 70 -1.358 17.635 4.051 1.00 0.76 O ATOM 0 H GLU A 70 0.284 15.236 1.468 1.00 0.17 H new ATOM 0 HA GLU A 70 1.010 15.488 4.256 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.932 13.500 3.040 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.991 14.244 4.625 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -1.215 15.980 2.173 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.602 15.044 2.693 1.00 0.22 H new ATOM 1084 N THR A 71 2.187 13.347 4.799 1.00 0.12 N ATOM 1085 CA THR A 71 3.002 12.162 5.049 1.00 0.10 C ATOM 1086 C THR A 71 2.291 11.091 5.884 1.00 0.13 C ATOM 1087 O THR A 71 2.774 9.971 5.941 1.00 0.13 O ATOM 1088 CB THR A 71 4.345 12.481 5.724 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.134 13.260 6.908 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.264 13.223 4.769 1.00 0.11 C ATOM 0 H THR A 71 2.133 14.001 5.580 1.00 0.12 H new ATOM 0 HA THR A 71 3.184 11.768 4.049 1.00 0.10 H new ATOM 0 HB THR A 71 4.820 11.540 6.000 1.00 0.09 H new ATOM 0 HG1 THR A 71 4.997 13.455 7.329 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.209 13.439 5.267 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.450 12.606 3.890 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.793 14.157 4.463 1.00 0.11 H new ATOM 1098 N PRO A 72 1.169 11.372 6.581 1.00 0.17 N ATOM 1099 CA PRO A 72 0.491 10.314 7.324 1.00 0.23 C ATOM 1100 C PRO A 72 0.284 9.121 6.411 1.00 0.17 C ATOM 1101 O PRO A 72 0.195 7.971 6.843 1.00 0.17 O ATOM 1102 CB PRO A 72 -0.852 10.932 7.690 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.602 12.394 7.721 1.00 0.32 C ATOM 1104 CD PRO A 72 0.484 12.669 6.713 1.00 0.18 C ATOM 0 HA PRO A 72 1.046 9.969 8.197 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.617 10.677 6.957 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.203 10.570 8.656 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.508 12.947 7.474 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.295 12.713 8.717 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.072 13.004 5.761 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.164 13.448 7.058 1.00 0.18 H new ATOM 1112 N TYR A 73 0.213 9.448 5.128 1.00 0.16 N ATOM 1113 CA TYR A 73 0.010 8.486 4.064 1.00 0.16 C ATOM 1114 C TYR A 73 1.331 7.909 3.531 1.00 0.13 C ATOM 1115 O TYR A 73 1.315 6.893 2.844 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.770 9.167 2.934 1.00 0.18 C ATOM 1117 CG TYR A 73 -2.017 9.895 3.401 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.690 9.483 4.543 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.518 10.993 2.707 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -3.825 10.139 4.980 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.651 11.654 3.139 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.306 11.239 4.239 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.431 11.882 4.708 1.00 0.50 O ATOM 0 H TYR A 73 0.297 10.409 4.796 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.554 7.644 4.466 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.114 9.876 2.429 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -1.054 8.416 2.197 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.320 8.635 5.100 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -2.012 11.334 1.816 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.336 9.815 5.875 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -4.014 12.510 2.590 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.658 12.623 4.108 1.00 0.50 H new ATOM 1133 N PHE A 74 2.469 8.559 3.822 1.00 0.11 N ATOM 1134 CA PHE A 74 3.766 8.074 3.324 1.00 0.10 C ATOM 1135 C PHE A 74 4.205 6.787 4.021 1.00 0.09 C ATOM 1136 O PHE A 74 4.705 5.861 3.373 1.00 0.08 O ATOM 1137 CB PHE A 74 4.836 9.202 3.324 1.00 0.11 C ATOM 1138 CG PHE A 74 5.718 9.395 4.544 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.230 9.027 5.790 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.007 9.892 4.471 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.002 9.155 6.926 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.786 10.020 5.605 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.388 9.849 6.727 1.00 0.17 C ATOM 0 H PHE A 74 2.519 9.406 4.389 1.00 0.11 H new ATOM 0 HA PHE A 74 3.642 7.794 2.278 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.492 9.030 2.471 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.318 10.144 3.143 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.228 8.633 5.872 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.411 10.184 3.513 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.670 8.799 7.890 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.823 10.292 5.475 1.00 0.75 H new ATOM 0 HZ PHE A 74 7.974 10.167 7.576 1.00 0.17 H new ATOM 1153 N MET A 75 3.986 6.695 5.320 1.00 0.09 N ATOM 1154 CA MET A 75 4.319 5.478 6.037 1.00 0.09 C ATOM 1155 C MET A 75 3.218 4.481 5.748 1.00 0.09 C ATOM 1156 O MET A 75 3.440 3.271 5.667 1.00 0.11 O ATOM 1157 CB MET A 75 4.459 5.726 7.541 1.00 0.14 C ATOM 1158 CG MET A 75 3.837 7.027 8.016 1.00 0.30 C ATOM 1159 SD MET A 75 3.035 6.873 9.625 1.00 0.52 S ATOM 1160 CE MET A 75 1.719 5.720 9.241 1.00 1.81 C ATOM 0 H MET A 75 3.585 7.437 5.893 1.00 0.09 H new ATOM 0 HA MET A 75 5.285 5.097 5.705 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.998 4.898 8.079 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.517 5.726 7.801 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.609 7.794 8.072 1.00 0.30 H new ATOM 0 HG3 MET A 75 3.106 7.364 7.281 1.00 0.30 H new ATOM 0 HE1 MET A 75 0.866 5.912 9.891 1.00 1.81 H new ATOM 0 HE2 MET A 75 1.418 5.845 8.201 1.00 1.81 H new ATOM 0 HE3 MET A 75 2.072 4.700 9.397 1.00 1.81 H new ATOM 1170 N LYS A 76 2.020 5.021 5.577 1.00 0.09 N ATOM 1171 CA LYS A 76 0.868 4.223 5.234 1.00 0.10 C ATOM 1172 C LYS A 76 1.057 3.724 3.808 1.00 0.10 C ATOM 1173 O LYS A 76 0.504 2.698 3.408 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.403 5.056 5.370 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.665 4.328 4.949 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.464 5.143 3.949 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.643 5.459 2.709 1.00 0.33 C ATOM 1178 NZ LYS A 76 -2.471 6.069 1.631 1.00 0.96 N ATOM 0 H LYS A 76 1.827 6.018 5.673 1.00 0.09 H new ATOM 0 HA LYS A 76 0.769 3.371 5.907 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.508 5.374 6.407 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.299 5.959 4.769 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.403 3.365 4.510 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.278 4.122 5.826 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.361 4.593 3.663 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.794 6.071 4.415 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -0.834 6.140 2.974 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -1.181 4.544 2.337 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -1.850 6.527 0.934 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -3.031 5.329 1.162 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -3.110 6.778 2.043 1.00 0.96 H new ATOM 1192 N SER A 77 1.854 4.475 3.040 1.00 0.09 N ATOM 1193 CA SER A 77 2.177 4.088 1.677 1.00 0.09 C ATOM 1194 C SER A 77 3.053 2.866 1.772 1.00 0.08 C ATOM 1195 O SER A 77 2.819 1.862 1.105 1.00 0.09 O ATOM 1196 CB SER A 77 2.917 5.197 0.926 1.00 0.10 C ATOM 1197 OG SER A 77 4.317 5.074 1.079 1.00 0.10 O ATOM 0 H SER A 77 2.282 5.349 3.344 1.00 0.09 H new ATOM 0 HA SER A 77 1.260 3.892 1.122 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.660 5.157 -0.132 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.592 6.169 1.296 1.00 0.10 H new ATOM 0 HG SER A 77 4.597 5.528 1.901 1.00 0.10 H new ATOM 1203 N ILE A 78 4.072 2.962 2.627 1.00 0.09 N ATOM 1204 CA ILE A 78 4.952 1.837 2.857 1.00 0.09 C ATOM 1205 C ILE A 78 4.090 0.637 3.213 1.00 0.11 C ATOM 1206 O ILE A 78 4.368 -0.492 2.813 1.00 0.12 O ATOM 1207 CB ILE A 78 5.974 2.117 3.993 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.383 1.784 3.526 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.642 1.324 5.249 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.829 2.637 2.369 1.00 0.13 C ATOM 0 H ILE A 78 4.299 3.800 3.162 1.00 0.09 H new ATOM 0 HA ILE A 78 5.532 1.648 1.953 1.00 0.09 H new ATOM 0 HB ILE A 78 5.916 3.177 4.238 1.00 0.08 H new ATOM 0 HG12 ILE A 78 8.077 1.914 4.357 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.426 0.734 3.236 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.377 1.544 6.023 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.649 1.601 5.602 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.662 0.258 5.022 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.841 2.355 2.078 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.154 2.488 1.526 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.815 3.686 2.664 1.00 0.13 H new ATOM 1222 N ASP A 79 3.022 0.913 3.960 1.00 0.11 N ATOM 1223 CA ASP A 79 2.086 -0.118 4.373 1.00 0.13 C ATOM 1224 C ASP A 79 1.357 -0.707 3.167 1.00 0.13 C ATOM 1225 O ASP A 79 1.120 -1.911 3.111 1.00 0.16 O ATOM 1226 CB ASP A 79 1.079 0.451 5.378 1.00 0.13 C ATOM 1227 CG ASP A 79 1.549 0.312 6.813 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.441 -0.801 7.369 1.00 0.68 O ATOM 1229 OD2 ASP A 79 2.022 1.319 7.382 1.00 0.69 O ATOM 0 H ASP A 79 2.787 1.849 4.290 1.00 0.11 H new ATOM 0 HA ASP A 79 2.649 -0.918 4.854 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.905 1.504 5.156 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.124 -0.062 5.261 1.00 0.13 H new ATOM 1234 N CYS A 80 0.983 0.146 2.211 1.00 0.14 N ATOM 1235 CA CYS A 80 0.311 -0.337 1.007 1.00 0.16 C ATOM 1236 C CYS A 80 1.231 -1.312 0.294 1.00 0.14 C ATOM 1237 O CYS A 80 0.815 -2.393 -0.142 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.041 0.812 0.068 1.00 0.23 C ATOM 1239 SG CYS A 80 1.253 1.187 -1.136 1.00 0.65 S ATOM 0 H CYS A 80 1.131 1.155 2.246 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.618 -0.828 1.297 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -0.960 0.566 -0.464 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.244 1.704 0.660 1.00 0.23 H new ATOM 0 HG CYS A 80 2.137 1.971 -0.593 1.00 0.65 H new ATOM 1245 N ILE A 81 2.493 -0.906 0.162 1.00 0.16 N ATOM 1246 CA ILE A 81 3.487 -1.756 -0.449 1.00 0.17 C ATOM 1247 C ILE A 81 3.454 -3.080 0.304 1.00 0.17 C ATOM 1248 O ILE A 81 3.443 -4.160 -0.276 1.00 0.19 O ATOM 1249 CB ILE A 81 4.907 -1.153 -0.325 1.00 0.18 C ATOM 1250 CG1 ILE A 81 5.158 -0.095 -1.395 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.962 -2.241 -0.391 1.00 0.20 C ATOM 1252 CD1 ILE A 81 4.884 1.310 -0.915 1.00 0.32 C ATOM 0 H ILE A 81 2.840 0.002 0.471 1.00 0.16 H new ATOM 0 HA ILE A 81 3.267 -1.872 -1.510 1.00 0.17 H new ATOM 0 HB ILE A 81 4.975 -0.666 0.648 1.00 0.18 H new ATOM 0 HG12 ILE A 81 6.193 -0.163 -1.729 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.530 -0.306 -2.260 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.952 -1.794 -0.302 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.808 -2.947 0.425 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.885 -2.765 -1.344 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.081 2.015 -1.722 1.00 0.32 H new ATOM 0 HD12 ILE A 81 3.841 1.393 -0.608 1.00 0.32 H new ATOM 0 HD13 ILE A 81 5.531 1.538 -0.068 1.00 0.32 H new ATOM 1264 N ARG A 82 3.419 -2.954 1.627 1.00 0.18 N ATOM 1265 CA ARG A 82 3.362 -4.096 2.524 1.00 0.20 C ATOM 1266 C ARG A 82 2.119 -4.933 2.231 1.00 0.26 C ATOM 1267 O ARG A 82 2.128 -6.153 2.390 1.00 0.36 O ATOM 1268 CB ARG A 82 3.336 -3.611 3.976 1.00 0.18 C ATOM 1269 CG ARG A 82 4.668 -3.716 4.697 1.00 0.18 C ATOM 1270 CD ARG A 82 5.585 -2.538 4.394 1.00 0.16 C ATOM 1271 NE ARG A 82 6.837 -2.628 5.144 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.690 -3.646 5.046 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.455 -4.642 4.201 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.790 -3.661 5.786 1.00 0.85 N ATOM 0 H ARG A 82 3.430 -2.053 2.105 1.00 0.18 H new ATOM 0 HA ARG A 82 4.246 -4.715 2.369 1.00 0.20 H new ATOM 0 HB2 ARG A 82 3.009 -2.571 3.993 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.593 -4.188 4.526 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.493 -3.770 5.772 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.163 -4.643 4.407 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.801 -2.508 3.326 1.00 0.16 H new ATOM 0 HD3 ARG A 82 5.077 -1.606 4.642 1.00 0.16 H new ATOM 0 HE ARG A 82 7.071 -1.866 5.780 1.00 0.33 H new ATOM 0 HH11 ARG A 82 6.616 -4.631 3.621 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.113 -5.418 4.132 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.982 -2.893 6.430 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.444 -4.440 5.712 1.00 0.85 H new ATOM 1288 N ALA A 83 1.053 -4.260 1.799 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.201 -4.932 1.478 1.00 0.27 C ATOM 1290 C ALA A 83 -0.019 -5.885 0.310 1.00 0.31 C ATOM 1291 O ALA A 83 -0.261 -7.086 0.431 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.288 -3.922 1.154 1.00 0.25 C ATOM 0 H ALA A 83 1.035 -3.249 1.664 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.504 -5.505 2.354 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.214 -4.447 0.918 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.449 -3.272 2.014 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -0.983 -3.321 0.297 1.00 0.25 H new ATOM 1298 N PHE A 84 0.412 -5.342 -0.823 1.00 0.30 N ATOM 1299 CA PHE A 84 0.613 -6.154 -2.019 1.00 0.40 C ATOM 1300 C PHE A 84 1.806 -7.093 -1.856 1.00 0.36 C ATOM 1301 O PHE A 84 1.951 -8.059 -2.604 1.00 0.36 O ATOM 1302 CB PHE A 84 0.808 -5.260 -3.251 1.00 0.65 C ATOM 1303 CG PHE A 84 2.226 -5.203 -3.742 1.00 1.18 C ATOM 1304 CD1 PHE A 84 3.168 -4.437 -3.079 1.00 2.05 C ATOM 1305 CD2 PHE A 84 2.611 -5.904 -4.871 1.00 2.00 C ATOM 1306 CE1 PHE A 84 4.468 -4.373 -3.534 1.00 3.01 C ATOM 1307 CE2 PHE A 84 3.910 -5.846 -5.332 1.00 3.01 C ATOM 1308 CZ PHE A 84 4.852 -5.120 -4.633 1.00 3.37 C ATOM 0 H PHE A 84 0.628 -4.352 -0.939 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.281 -6.762 -2.162 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.169 -5.623 -4.056 1.00 0.65 H new ATOM 0 HB3 PHE A 84 0.476 -4.250 -3.011 1.00 0.65 H new ATOM 0 HD1 PHE A 84 2.882 -3.884 -2.197 1.00 2.05 H new ATOM 0 HD2 PHE A 84 1.885 -6.505 -5.399 1.00 2.00 H new ATOM 0 HE1 PHE A 84 5.186 -3.740 -3.033 1.00 3.01 H new ATOM 0 HE2 PHE A 84 4.188 -6.367 -6.236 1.00 3.01 H new ATOM 0 HZ PHE A 84 5.886 -5.135 -4.943 1.00 3.37 H new ATOM 1318 N ARG A 85 2.659 -6.805 -0.880 1.00 0.39 N ATOM 1319 CA ARG A 85 3.843 -7.621 -0.643 1.00 0.43 C ATOM 1320 C ARG A 85 3.474 -9.036 -0.206 1.00 0.38 C ATOM 1321 O ARG A 85 3.774 -10.011 -0.901 1.00 0.37 O ATOM 1322 CB ARG A 85 4.735 -6.972 0.417 1.00 0.56 C ATOM 1323 CG ARG A 85 5.742 -5.988 -0.154 1.00 0.88 C ATOM 1324 CD ARG A 85 6.624 -5.400 0.936 1.00 0.72 C ATOM 1325 NE ARG A 85 7.458 -6.417 1.571 1.00 1.07 N ATOM 1326 CZ ARG A 85 8.719 -6.211 1.941 1.00 1.14 C ATOM 1327 NH1 ARG A 85 9.290 -5.031 1.741 1.00 1.31 N ATOM 1328 NH2 ARG A 85 9.411 -7.188 2.513 1.00 1.75 N ATOM 0 H ARG A 85 2.553 -6.016 -0.242 1.00 0.39 H new ATOM 0 HA ARG A 85 4.387 -7.687 -1.585 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.106 -6.456 1.142 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.269 -7.753 0.958 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.364 -6.490 -0.895 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.216 -5.185 -0.671 1.00 0.88 H new ATOM 0 HD2 ARG A 85 7.260 -4.624 0.509 1.00 0.72 H new ATOM 0 HD3 ARG A 85 5.999 -4.921 1.690 1.00 0.72 H new ATOM 0 HE ARG A 85 7.051 -7.337 1.740 1.00 1.07 H new ATOM 0 HH11 ARG A 85 8.762 -4.277 1.302 1.00 1.31 H new ATOM 0 HH12 ARG A 85 10.257 -4.878 2.026 1.00 1.31 H new ATOM 0 HH21 ARG A 85 8.976 -8.097 2.669 1.00 1.75 H new ATOM 0 HH22 ARG A 85 10.378 -7.030 2.797 1.00 1.75 H new ATOM 1342 N GLU A 86 2.817 -9.142 0.945 1.00 0.38 N ATOM 1343 CA GLU A 86 2.415 -10.436 1.486 1.00 0.36 C ATOM 1344 C GLU A 86 1.414 -11.131 0.570 1.00 0.31 C ATOM 1345 O GLU A 86 1.426 -12.354 0.434 1.00 0.44 O ATOM 1346 CB GLU A 86 1.810 -10.260 2.881 1.00 0.41 C ATOM 1347 CG GLU A 86 2.767 -9.643 3.888 1.00 1.13 C ATOM 1348 CD GLU A 86 2.128 -9.438 5.247 1.00 1.53 C ATOM 1349 OE1 GLU A 86 1.538 -8.360 5.470 1.00 1.89 O ATOM 1350 OE2 GLU A 86 2.216 -10.356 6.089 1.00 1.91 O ATOM 0 H GLU A 86 2.551 -8.345 1.523 1.00 0.38 H new ATOM 0 HA GLU A 86 3.305 -11.062 1.555 1.00 0.36 H new ATOM 0 HB2 GLU A 86 0.922 -9.633 2.806 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.484 -11.232 3.251 1.00 0.41 H new ATOM 0 HG2 GLU A 86 3.641 -10.286 3.994 1.00 1.13 H new ATOM 0 HG3 GLU A 86 3.120 -8.684 3.508 1.00 1.13 H new ATOM 1357 N GLU A 87 0.547 -10.344 -0.058 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.466 -10.888 -0.954 1.00 0.15 C ATOM 1359 C GLU A 87 0.163 -11.519 -2.193 1.00 0.14 C ATOM 1360 O GLU A 87 -0.214 -12.618 -2.590 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.459 -9.799 -1.362 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.641 -9.663 -0.412 1.00 0.24 C ATOM 1363 CD GLU A 87 -2.220 -9.371 1.015 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -1.745 -10.303 1.698 1.00 1.06 O ATOM 1365 OE2 GLU A 87 -2.359 -8.207 1.450 1.00 1.83 O ATOM 0 H GLU A 87 0.526 -9.329 0.037 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.999 -11.670 -0.414 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.936 -8.844 -1.416 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -1.832 -10.016 -2.363 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -3.293 -8.864 -0.764 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.225 -10.583 -0.432 1.00 0.24 H new ATOM 1372 N ALA A 88 1.126 -10.825 -2.797 1.00 0.18 N ATOM 1373 CA ALA A 88 1.792 -11.328 -3.999 1.00 0.17 C ATOM 1374 C ALA A 88 2.321 -12.741 -3.799 1.00 0.17 C ATOM 1375 O ALA A 88 2.124 -13.607 -4.650 1.00 0.18 O ATOM 1376 CB ALA A 88 2.922 -10.400 -4.416 1.00 0.19 C ATOM 0 H ALA A 88 1.462 -9.917 -2.476 1.00 0.18 H new ATOM 0 HA ALA A 88 1.047 -11.358 -4.794 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.404 -10.793 -5.312 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.520 -9.409 -4.625 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.653 -10.333 -3.611 1.00 0.19 H new ATOM 1382 N ILE A 89 2.998 -12.972 -2.679 1.00 0.20 N ATOM 1383 CA ILE A 89 3.545 -14.292 -2.389 1.00 0.23 C ATOM 1384 C ILE A 89 2.435 -15.341 -2.411 1.00 0.24 C ATOM 1385 O ILE A 89 2.644 -16.476 -2.837 1.00 0.31 O ATOM 1386 CB ILE A 89 4.282 -14.319 -1.025 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.574 -15.142 -1.127 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.385 -14.865 0.082 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.356 -16.591 -1.509 1.00 1.52 C ATOM 0 H ILE A 89 3.180 -12.269 -1.963 1.00 0.20 H new ATOM 0 HA ILE A 89 4.274 -14.526 -3.165 1.00 0.23 H new ATOM 0 HB ILE A 89 4.542 -13.292 -0.767 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.230 -14.678 -1.863 1.00 0.74 H new ATOM 0 HG13 ILE A 89 6.093 -15.104 -0.169 1.00 0.74 H new ATOM 0 HG21 ILE A 89 3.932 -14.870 1.025 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.502 -14.234 0.179 1.00 0.60 H new ATOM 0 HG23 ILE A 89 3.079 -15.881 -0.166 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.317 -17.103 -1.560 1.00 1.52 H new ATOM 0 HD12 ILE A 89 4.727 -17.074 -0.761 1.00 1.52 H new ATOM 0 HD13 ILE A 89 4.867 -16.641 -2.482 1.00 1.52 H new ATOM 1401 N LYS A 90 1.252 -14.943 -1.950 1.00 0.24 N ATOM 1402 CA LYS A 90 0.103 -15.839 -1.914 1.00 0.29 C ATOM 1403 C LYS A 90 -0.660 -15.806 -3.238 1.00 0.30 C ATOM 1404 O LYS A 90 -1.455 -16.698 -3.528 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.835 -15.451 -0.769 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.156 -15.405 0.592 1.00 0.33 C ATOM 1407 CD LYS A 90 0.342 -16.777 1.021 1.00 0.66 C ATOM 1408 CE LYS A 90 -0.809 -17.737 1.278 1.00 1.74 C ATOM 1409 NZ LYS A 90 -1.728 -17.232 2.335 1.00 2.42 N ATOM 0 H LYS A 90 1.065 -14.005 -1.596 1.00 0.24 H new ATOM 0 HA LYS A 90 0.472 -16.852 -1.752 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.268 -14.474 -0.982 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.659 -16.163 -0.730 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.682 -14.709 0.557 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.856 -15.024 1.335 1.00 0.33 H new ATOM 0 HD2 LYS A 90 0.992 -17.187 0.248 1.00 0.66 H new ATOM 0 HD3 LYS A 90 0.944 -16.680 1.925 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.367 -17.890 0.354 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -0.412 -18.708 1.575 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -2.318 -18.014 2.684 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 -1.171 -16.841 3.121 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 -2.338 -16.488 1.939 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.409 -14.770 -4.035 1.00 0.18 N ATOM 1424 CA PHE A 91 -1.079 -14.613 -5.322 1.00 0.19 C ATOM 1425 C PHE A 91 -0.135 -14.914 -6.481 1.00 0.20 C ATOM 1426 O PHE A 91 -0.433 -14.591 -7.633 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.659 -13.203 -5.449 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.985 -13.049 -4.758 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -4.135 -13.575 -5.323 1.00 0.83 C ATOM 1430 CD2 PHE A 91 -3.081 -12.384 -3.547 1.00 0.73 C ATOM 1431 CE1 PHE A 91 -5.356 -13.443 -4.690 1.00 0.90 C ATOM 1432 CE2 PHE A 91 -4.301 -12.249 -2.910 1.00 0.74 C ATOM 1433 CZ PHE A 91 -5.440 -12.778 -3.483 1.00 0.43 C ATOM 0 H PHE A 91 0.253 -14.027 -3.812 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.896 -15.333 -5.367 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.952 -12.486 -5.031 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.775 -12.957 -6.505 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -4.077 -14.094 -6.268 1.00 0.83 H new ATOM 0 HD2 PHE A 91 -2.193 -11.966 -3.095 1.00 0.73 H new ATOM 0 HE1 PHE A 91 -6.245 -13.860 -5.140 1.00 0.90 H new ATOM 0 HE2 PHE A 91 -4.363 -11.730 -1.965 1.00 0.74 H new ATOM 0 HZ PHE A 91 -6.394 -12.672 -2.988 1.00 0.43 H new ATOM 1443 N SER A 92 0.995 -15.546 -6.166 1.00 0.20 N ATOM 1444 CA SER A 92 1.993 -15.905 -7.173 1.00 0.23 C ATOM 1445 C SER A 92 2.215 -14.768 -8.165 1.00 0.27 C ATOM 1446 O SER A 92 1.724 -14.808 -9.293 1.00 0.61 O ATOM 1447 CB SER A 92 1.568 -17.173 -7.916 1.00 0.24 C ATOM 1448 OG SER A 92 1.473 -18.277 -7.033 1.00 0.25 O ATOM 0 H SER A 92 1.243 -15.821 -5.216 1.00 0.20 H new ATOM 0 HA SER A 92 2.934 -16.092 -6.656 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.606 -17.008 -8.401 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.288 -17.395 -8.704 1.00 0.24 H new ATOM 0 HG SER A 92 1.198 -19.073 -7.533 1.00 0.25 H new ATOM 1454 N GLU A 93 2.953 -13.750 -7.732 1.00 0.20 N ATOM 1455 CA GLU A 93 3.239 -12.598 -8.577 1.00 0.18 C ATOM 1456 C GLU A 93 4.585 -11.979 -8.211 1.00 0.18 C ATOM 1457 O GLU A 93 4.666 -11.115 -7.336 1.00 0.19 O ATOM 1458 CB GLU A 93 2.125 -11.559 -8.449 1.00 0.19 C ATOM 1459 CG GLU A 93 0.927 -11.836 -9.345 1.00 0.27 C ATOM 1460 CD GLU A 93 1.287 -11.829 -10.818 1.00 0.74 C ATOM 1461 OE1 GLU A 93 1.333 -10.732 -11.413 1.00 1.46 O ATOM 1462 OE2 GLU A 93 1.522 -12.920 -11.377 1.00 0.96 O ATOM 0 H GLU A 93 3.364 -13.701 -6.800 1.00 0.20 H new ATOM 0 HA GLU A 93 3.288 -12.936 -9.612 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.792 -11.522 -7.412 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.528 -10.575 -8.689 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.499 -12.804 -9.084 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.158 -11.086 -9.159 1.00 0.27 H new ATOM 1469 N GLU A 94 5.641 -12.433 -8.883 1.00 0.21 N ATOM 1470 CA GLU A 94 6.986 -11.929 -8.627 1.00 0.24 C ATOM 1471 C GLU A 94 7.262 -10.655 -9.420 1.00 0.25 C ATOM 1472 O GLU A 94 7.843 -9.704 -8.896 1.00 0.31 O ATOM 1473 CB GLU A 94 8.036 -12.997 -8.962 1.00 0.28 C ATOM 1474 CG GLU A 94 8.022 -13.456 -10.414 1.00 0.33 C ATOM 1475 CD GLU A 94 6.848 -14.361 -10.734 1.00 0.92 C ATOM 1476 OE1 GLU A 94 6.881 -15.541 -10.325 1.00 1.46 O ATOM 1477 OE2 GLU A 94 5.896 -13.890 -11.392 1.00 1.53 O ATOM 0 H GLU A 94 5.590 -13.148 -9.608 1.00 0.21 H new ATOM 0 HA GLU A 94 7.052 -11.689 -7.566 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.025 -12.604 -8.727 1.00 0.28 H new ATOM 0 HB3 GLU A 94 7.876 -13.862 -8.318 1.00 0.28 H new ATOM 0 HG2 GLU A 94 7.990 -12.583 -11.066 1.00 0.33 H new ATOM 0 HG3 GLU A 94 8.951 -13.983 -10.633 1.00 0.33 H new ATOM 1484 N GLN A 95 6.845 -10.639 -10.683 1.00 0.25 N ATOM 1485 CA GLN A 95 7.053 -9.476 -11.539 1.00 0.28 C ATOM 1486 C GLN A 95 6.339 -8.256 -10.970 1.00 0.23 C ATOM 1487 O GLN A 95 6.865 -7.143 -11.003 1.00 0.20 O ATOM 1488 CB GLN A 95 6.553 -9.763 -12.956 1.00 0.33 C ATOM 1489 CG GLN A 95 5.086 -10.156 -13.019 1.00 0.73 C ATOM 1490 CD GLN A 95 4.617 -10.433 -14.434 1.00 0.78 C ATOM 1491 OE1 GLN A 95 5.395 -10.867 -15.283 1.00 1.54 O ATOM 1492 NE2 GLN A 95 3.340 -10.179 -14.695 1.00 1.03 N ATOM 0 H GLN A 95 6.363 -11.416 -11.135 1.00 0.25 H new ATOM 0 HA GLN A 95 8.122 -9.266 -11.578 1.00 0.28 H new ATOM 0 HB2 GLN A 95 6.710 -8.878 -13.573 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.153 -10.564 -13.388 1.00 0.33 H new ATOM 0 HG2 GLN A 95 4.925 -11.043 -12.406 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.481 -9.358 -12.589 1.00 0.73 H new ATOM 0 HE21 GLN A 95 2.731 -9.820 -13.960 1.00 1.03 H new ATOM 0 HE22 GLN A 95 2.968 -10.343 -15.631 1.00 1.03 H new ATOM 1501 N ARG A 96 5.140 -8.479 -10.444 1.00 0.25 N ATOM 1502 CA ARG A 96 4.344 -7.407 -9.862 1.00 0.22 C ATOM 1503 C ARG A 96 5.087 -6.748 -8.709 1.00 0.20 C ATOM 1504 O ARG A 96 4.872 -5.573 -8.407 1.00 0.26 O ATOM 1505 CB ARG A 96 3.007 -7.961 -9.367 1.00 0.25 C ATOM 1506 CG ARG A 96 1.793 -7.317 -10.011 1.00 0.95 C ATOM 1507 CD ARG A 96 1.504 -5.948 -9.420 1.00 0.63 C ATOM 1508 NE ARG A 96 2.494 -4.949 -9.822 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.191 -3.687 -10.108 1.00 2.22 C ATOM 1510 NH1 ARG A 96 0.933 -3.273 -10.055 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.149 -2.836 -10.451 1.00 2.99 N ATOM 0 H ARG A 96 4.697 -9.397 -10.409 1.00 0.25 H new ATOM 0 HA ARG A 96 4.163 -6.656 -10.631 1.00 0.22 H new ATOM 0 HB2 ARG A 96 2.978 -9.034 -9.555 1.00 0.25 H new ATOM 0 HB3 ARG A 96 2.947 -7.825 -8.287 1.00 0.25 H new ATOM 0 HG2 ARG A 96 1.957 -7.223 -11.084 1.00 0.95 H new ATOM 0 HG3 ARG A 96 0.925 -7.962 -9.877 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.513 -5.621 -9.734 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.486 -6.021 -8.333 1.00 0.63 H new ATOM 0 HE ARG A 96 3.470 -5.237 -9.886 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.192 -3.924 -9.794 1.00 2.57 H new ATOM 0 HH12 ARG A 96 0.705 -2.303 -10.275 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.118 -3.150 -10.495 1.00 2.99 H new ATOM 0 HH22 ARG A 96 2.916 -1.867 -10.670 1.00 2.99 H new ATOM 1525 N PHE A 97 5.964 -7.509 -8.071 1.00 0.27 N ATOM 1526 CA PHE A 97 6.736 -7.002 -6.948 1.00 0.31 C ATOM 1527 C PHE A 97 7.813 -6.041 -7.422 1.00 0.25 C ATOM 1528 O PHE A 97 7.854 -4.887 -6.996 1.00 0.22 O ATOM 1529 CB PHE A 97 7.358 -8.163 -6.168 1.00 0.45 C ATOM 1530 CG PHE A 97 7.702 -7.844 -4.736 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.445 -6.715 -4.432 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.277 -8.658 -3.697 1.00 1.29 C ATOM 1533 CE1 PHE A 97 8.758 -6.404 -3.122 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.588 -8.354 -2.386 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.346 -7.284 -2.090 1.00 0.67 C ATOM 0 H PHE A 97 6.158 -8.481 -8.313 1.00 0.27 H new ATOM 0 HA PHE A 97 6.064 -6.456 -6.286 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.666 -9.005 -6.183 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.263 -8.485 -6.682 1.00 0.45 H new ATOM 0 HD1 PHE A 97 8.784 -6.070 -5.229 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.695 -9.541 -3.916 1.00 1.29 H new ATOM 0 HE1 PHE A 97 9.308 -5.504 -2.888 1.00 0.92 H new ATOM 0 HE2 PHE A 97 7.218 -8.983 -1.590 1.00 1.39 H new ATOM 0 HZ PHE A 97 8.640 -7.095 -1.068 1.00 0.67 H new ATOM 1545 N ASN A 98 8.688 -6.513 -8.300 1.00 0.28 N ATOM 1546 CA ASN A 98 9.750 -5.668 -8.818 1.00 0.26 C ATOM 1547 C ASN A 98 9.163 -4.537 -9.647 1.00 0.21 C ATOM 1548 O ASN A 98 9.817 -3.524 -9.878 1.00 0.21 O ATOM 1549 CB ASN A 98 10.742 -6.481 -9.653 1.00 0.34 C ATOM 1550 CG ASN A 98 10.058 -7.350 -10.687 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.749 -8.513 -10.429 1.00 1.03 O ATOM 1552 ND2 ASN A 98 9.820 -6.789 -11.868 1.00 1.22 N ATOM 0 H ASN A 98 8.683 -7.466 -8.664 1.00 0.28 H new ATOM 0 HA ASN A 98 10.290 -5.243 -7.972 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.432 -5.802 -10.154 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.338 -7.110 -8.992 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.364 -7.326 -12.605 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.094 -5.821 -12.037 1.00 1.22 H new ATOM 1559 N ASN A 99 7.923 -4.711 -10.095 1.00 0.18 N ATOM 1560 CA ASN A 99 7.264 -3.685 -10.883 1.00 0.20 C ATOM 1561 C ASN A 99 6.796 -2.547 -9.988 1.00 0.19 C ATOM 1562 O ASN A 99 7.128 -1.396 -10.227 1.00 0.24 O ATOM 1563 CB ASN A 99 6.083 -4.274 -11.658 1.00 0.22 C ATOM 1564 CG ASN A 99 5.471 -3.281 -12.630 1.00 0.63 C ATOM 1565 OD1 ASN A 99 4.269 -3.314 -12.893 1.00 1.41 O ATOM 1566 ND2 ASN A 99 6.299 -2.394 -13.172 1.00 1.14 N ATOM 0 H ASN A 99 7.362 -5.546 -9.926 1.00 0.18 H new ATOM 0 HA ASN A 99 7.983 -3.290 -11.601 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.416 -5.156 -12.206 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.320 -4.606 -10.954 1.00 0.22 H new ATOM 0 HD21 ASN A 99 5.945 -1.704 -13.835 1.00 1.14 H new ATOM 0 HD22 ASN A 99 7.289 -2.403 -12.925 1.00 1.14 H new ATOM 1573 N PHE A 100 6.035 -2.879 -8.949 1.00 0.18 N ATOM 1574 CA PHE A 100 5.532 -1.875 -8.011 1.00 0.23 C ATOM 1575 C PHE A 100 6.708 -1.172 -7.349 1.00 0.18 C ATOM 1576 O PHE A 100 6.719 0.048 -7.216 1.00 0.21 O ATOM 1577 CB PHE A 100 4.633 -2.587 -6.978 1.00 0.38 C ATOM 1578 CG PHE A 100 3.917 -1.743 -5.944 1.00 1.36 C ATOM 1579 CD1 PHE A 100 4.451 -0.511 -5.593 1.00 1.99 C ATOM 1580 CD2 PHE A 100 2.729 -2.136 -5.346 1.00 2.09 C ATOM 1581 CE1 PHE A 100 3.822 0.303 -4.668 1.00 2.95 C ATOM 1582 CE2 PHE A 100 2.094 -1.324 -4.424 1.00 3.08 C ATOM 1583 CZ PHE A 100 2.562 -0.277 -4.000 1.00 3.43 C ATOM 0 H PHE A 100 5.752 -3.835 -8.734 1.00 0.18 H new ATOM 0 HA PHE A 100 4.941 -1.116 -8.524 1.00 0.23 H new ATOM 0 HB2 PHE A 100 3.879 -3.151 -7.527 1.00 0.38 H new ATOM 0 HB3 PHE A 100 5.249 -3.312 -6.446 1.00 0.38 H new ATOM 0 HD1 PHE A 100 5.373 -0.182 -6.050 1.00 1.99 H new ATOM 0 HD2 PHE A 100 2.293 -3.090 -5.604 1.00 2.09 H new ATOM 0 HE1 PHE A 100 4.193 1.288 -4.428 1.00 2.95 H new ATOM 0 HE2 PHE A 100 1.127 -1.633 -4.056 1.00 3.08 H new ATOM 0 HZ PHE A 100 2.098 0.234 -3.169 1.00 3.43 H new ATOM 1593 N LEU A 101 7.715 -1.944 -6.990 1.00 0.18 N ATOM 1594 CA LEU A 101 8.887 -1.405 -6.325 1.00 0.21 C ATOM 1595 C LEU A 101 9.706 -0.521 -7.246 1.00 0.20 C ATOM 1596 O LEU A 101 10.045 0.611 -6.888 1.00 0.21 O ATOM 1597 CB LEU A 101 9.736 -2.562 -5.797 1.00 0.28 C ATOM 1598 CG LEU A 101 10.831 -2.219 -4.780 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.562 -0.895 -4.074 1.00 0.92 C ATOM 1600 CD2 LEU A 101 10.931 -3.349 -3.768 1.00 0.92 C ATOM 0 H LEU A 101 7.746 -2.951 -7.148 1.00 0.18 H new ATOM 0 HA LEU A 101 8.556 -0.778 -5.497 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.067 -3.291 -5.340 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.207 -3.052 -6.649 1.00 0.28 H new ATOM 0 HG LEU A 101 11.775 -2.106 -5.313 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.363 -0.693 -3.363 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.519 -0.092 -4.810 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.612 -0.952 -3.543 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.707 -3.117 -3.039 1.00 0.92 H new ATOM 0 HD22 LEU A 101 9.975 -3.465 -3.257 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.182 -4.277 -4.282 1.00 0.92 H new ATOM 1612 N LYS A 102 10.014 -1.011 -8.438 1.00 0.20 N ATOM 1613 CA LYS A 102 10.813 -0.224 -9.355 1.00 0.23 C ATOM 1614 C LYS A 102 9.979 0.878 -9.991 1.00 0.22 C ATOM 1615 O LYS A 102 10.525 1.845 -10.516 1.00 0.26 O ATOM 1616 CB LYS A 102 11.457 -1.107 -10.427 1.00 0.27 C ATOM 1617 CG LYS A 102 12.430 -2.147 -9.874 1.00 0.28 C ATOM 1618 CD LYS A 102 13.378 -1.558 -8.834 1.00 0.33 C ATOM 1619 CE LYS A 102 14.200 -0.411 -9.399 1.00 1.44 C ATOM 1620 NZ LYS A 102 15.037 -0.838 -10.555 1.00 2.40 N ATOM 0 H LYS A 102 9.729 -1.927 -8.784 1.00 0.20 H new ATOM 0 HA LYS A 102 11.614 0.243 -8.782 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.671 -1.619 -10.982 1.00 0.27 H new ATOM 0 HB3 LYS A 102 11.986 -0.471 -11.137 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.867 -2.966 -9.427 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.011 -2.570 -10.694 1.00 0.28 H new ATOM 0 HD2 LYS A 102 12.803 -1.205 -7.978 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.046 -2.338 -8.469 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.533 0.393 -9.712 1.00 1.44 H new ATOM 0 HE3 LYS A 102 14.842 -0.006 -8.617 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 15.679 -0.065 -10.823 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.594 -1.675 -10.290 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 14.423 -1.072 -11.361 1.00 2.40 H new ATOM 1634 N ALA A 103 8.655 0.741 -9.932 1.00 0.19 N ATOM 1635 CA ALA A 103 7.773 1.750 -10.500 1.00 0.21 C ATOM 1636 C ALA A 103 7.562 2.877 -9.509 1.00 0.18 C ATOM 1637 O ALA A 103 7.616 4.054 -9.871 1.00 0.20 O ATOM 1638 CB ALA A 103 6.438 1.149 -10.914 1.00 0.24 C ATOM 0 H ALA A 103 8.177 -0.050 -9.501 1.00 0.19 H new ATOM 0 HA ALA A 103 8.249 2.150 -11.395 1.00 0.21 H new ATOM 0 HB1 ALA A 103 5.803 1.929 -11.334 1.00 0.24 H new ATOM 0 HB2 ALA A 103 6.604 0.374 -11.662 1.00 0.24 H new ATOM 0 HB3 ALA A 103 5.949 0.713 -10.043 1.00 0.24 H new ATOM 1644 N LEU A 104 7.338 2.519 -8.252 1.00 0.16 N ATOM 1645 CA LEU A 104 7.137 3.522 -7.230 1.00 0.16 C ATOM 1646 C LEU A 104 8.424 4.301 -7.057 1.00 0.16 C ATOM 1647 O LEU A 104 8.409 5.525 -6.957 1.00 0.16 O ATOM 1648 CB LEU A 104 6.701 2.879 -5.904 1.00 0.19 C ATOM 1649 CG LEU A 104 7.754 2.004 -5.208 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.682 2.840 -4.344 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.092 0.934 -4.359 1.00 0.24 C ATOM 0 H LEU A 104 7.292 1.554 -7.924 1.00 0.16 H new ATOM 0 HA LEU A 104 6.339 4.198 -7.536 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.404 3.672 -5.218 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.816 2.271 -6.091 1.00 0.19 H new ATOM 0 HG LEU A 104 8.344 1.524 -5.988 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.416 2.192 -3.865 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.196 3.573 -4.966 1.00 0.23 H new ATOM 0 HD13 LEU A 104 8.101 3.357 -3.580 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.858 0.327 -3.876 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.470 1.406 -3.598 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.472 0.299 -4.992 1.00 0.24 H new ATOM 1663 N GLN A 105 9.545 3.578 -7.053 1.00 0.18 N ATOM 1664 CA GLN A 105 10.845 4.203 -6.900 1.00 0.22 C ATOM 1665 C GLN A 105 11.180 5.053 -8.114 1.00 0.24 C ATOM 1666 O GLN A 105 11.485 6.238 -7.973 1.00 0.26 O ATOM 1667 CB GLN A 105 11.918 3.152 -6.631 1.00 0.27 C ATOM 1668 CG GLN A 105 13.298 3.482 -7.184 1.00 0.35 C ATOM 1669 CD GLN A 105 13.964 4.639 -6.468 1.00 1.13 C ATOM 1670 OE1 GLN A 105 14.575 4.459 -5.417 1.00 1.76 O ATOM 1671 NE2 GLN A 105 13.875 5.829 -7.046 1.00 1.92 N ATOM 0 H GLN A 105 9.572 2.563 -7.154 1.00 0.18 H new ATOM 0 HA GLN A 105 10.812 4.867 -6.036 1.00 0.22 H new ATOM 0 HB2 GLN A 105 12.000 3.007 -5.554 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.590 2.203 -7.056 1.00 0.27 H new ATOM 0 HG2 GLN A 105 13.934 2.600 -7.107 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.211 3.720 -8.244 1.00 0.35 H new ATOM 0 HE21 GLN A 105 13.358 5.935 -7.919 1.00 1.92 H new ATOM 0 HE22 GLN A 105 14.324 6.639 -6.618 1.00 1.92 H new ATOM 1680 N GLU A 106 11.116 4.466 -9.311 1.00 0.25 N ATOM 1681 CA GLU A 106 11.402 5.237 -10.510 1.00 0.29 C ATOM 1682 C GLU A 106 10.554 6.495 -10.480 1.00 0.29 C ATOM 1683 O GLU A 106 10.964 7.552 -10.958 1.00 0.35 O ATOM 1684 CB GLU A 106 11.122 4.432 -11.780 1.00 0.31 C ATOM 1685 CG GLU A 106 9.645 4.247 -12.067 1.00 0.29 C ATOM 1686 CD GLU A 106 9.388 3.542 -13.384 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.432 2.295 -13.409 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.143 4.239 -14.392 1.00 0.41 O ATOM 0 H GLU A 106 10.875 3.487 -9.469 1.00 0.25 H new ATOM 0 HA GLU A 106 12.461 5.494 -10.526 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.589 4.933 -12.628 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.592 3.453 -11.690 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.191 3.674 -11.258 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.157 5.222 -12.080 1.00 0.29 H new ATOM 1695 N LYS A 107 9.365 6.371 -9.890 1.00 0.23 N ATOM 1696 CA LYS A 107 8.465 7.499 -9.768 1.00 0.23 C ATOM 1697 C LYS A 107 9.066 8.546 -8.830 1.00 0.24 C ATOM 1698 O LYS A 107 9.067 9.736 -9.143 1.00 0.30 O ATOM 1699 CB LYS A 107 7.106 7.039 -9.245 1.00 0.22 C ATOM 1700 CG LYS A 107 5.985 8.010 -9.559 1.00 0.62 C ATOM 1701 CD LYS A 107 4.718 7.667 -8.798 1.00 1.05 C ATOM 1702 CE LYS A 107 4.903 7.843 -7.301 1.00 1.11 C ATOM 1703 NZ LYS A 107 5.379 9.213 -6.957 1.00 2.14 N ATOM 0 H LYS A 107 9.011 5.501 -9.493 1.00 0.23 H new ATOM 0 HA LYS A 107 8.324 7.945 -10.752 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.868 6.067 -9.677 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.167 6.901 -8.165 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.299 9.023 -9.306 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.781 7.997 -10.630 1.00 0.62 H new ATOM 0 HD2 LYS A 107 3.902 8.303 -9.142 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.431 6.637 -9.012 1.00 1.05 H new ATOM 0 HE2 LYS A 107 3.958 7.649 -6.793 1.00 1.11 H new ATOM 0 HE3 LYS A 107 5.619 7.107 -6.935 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 4.883 9.550 -6.107 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 6.402 9.189 -6.773 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 5.185 9.857 -7.750 1.00 2.14 H new ATOM 1717 N VAL A 108 9.577 8.098 -7.676 1.00 0.22 N ATOM 1718 CA VAL A 108 10.197 9.017 -6.722 1.00 0.26 C ATOM 1719 C VAL A 108 11.397 9.693 -7.375 1.00 0.33 C ATOM 1720 O VAL A 108 11.822 10.770 -6.957 1.00 0.40 O ATOM 1721 CB VAL A 108 10.651 8.316 -5.409 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.764 7.136 -5.069 1.00 0.22 C ATOM 1723 CG2 VAL A 108 12.114 7.896 -5.483 1.00 0.28 C ATOM 0 H VAL A 108 9.573 7.120 -7.386 1.00 0.22 H new ATOM 0 HA VAL A 108 9.440 9.752 -6.448 1.00 0.26 H new ATOM 0 HB VAL A 108 10.551 9.044 -4.604 1.00 0.26 H new ATOM 0 HG11 VAL A 108 10.113 6.673 -4.146 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.737 7.478 -4.938 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.803 6.407 -5.878 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.400 7.409 -4.551 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.252 7.202 -6.312 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.738 8.776 -5.639 1.00 0.28 H new ATOM 1733 N GLU A 109 11.944 9.038 -8.397 1.00 0.38 N ATOM 1734 CA GLU A 109 13.089 9.569 -9.130 1.00 0.48 C ATOM 1735 C GLU A 109 12.654 10.719 -10.032 1.00 0.45 C ATOM 1736 O GLU A 109 13.221 11.809 -9.982 1.00 0.45 O ATOM 1737 CB GLU A 109 13.738 8.465 -9.969 1.00 0.62 C ATOM 1738 CG GLU A 109 15.052 8.879 -10.611 1.00 1.29 C ATOM 1739 CD GLU A 109 16.127 9.199 -9.589 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.846 8.266 -9.173 1.00 1.75 O ATOM 1741 OE2 GLU A 109 16.248 10.382 -9.206 1.00 2.41 O ATOM 0 H GLU A 109 11.611 8.136 -8.736 1.00 0.38 H new ATOM 0 HA GLU A 109 13.818 9.942 -8.411 1.00 0.48 H new ATOM 0 HB2 GLU A 109 13.911 7.594 -9.337 1.00 0.62 H new ATOM 0 HB3 GLU A 109 13.043 8.158 -10.750 1.00 0.62 H new ATOM 0 HG2 GLU A 109 15.402 8.078 -11.262 1.00 1.29 H new ATOM 0 HG3 GLU A 109 14.884 9.752 -11.242 1.00 1.29 H new ATOM 1748 N ILE A 110 11.642 10.459 -10.857 1.00 0.44 N ATOM 1749 CA ILE A 110 11.114 11.470 -11.769 1.00 0.42 C ATOM 1750 C ILE A 110 10.703 12.726 -11.003 1.00 0.39 C ATOM 1751 O ILE A 110 11.058 13.843 -11.380 1.00 0.45 O ATOM 1752 CB ILE A 110 9.903 10.923 -12.563 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.364 10.136 -13.797 1.00 0.51 C ATOM 1754 CG2 ILE A 110 8.967 12.049 -12.981 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.351 9.027 -13.500 1.00 0.55 C ATOM 0 H ILE A 110 11.171 9.556 -10.912 1.00 0.44 H new ATOM 0 HA ILE A 110 11.906 11.726 -12.473 1.00 0.42 H new ATOM 0 HB ILE A 110 9.358 10.247 -11.904 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.490 9.706 -14.286 1.00 0.51 H new ATOM 0 HG13 ILE A 110 10.817 10.829 -14.506 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.126 11.635 -13.537 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.598 12.564 -12.094 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.507 12.755 -13.612 1.00 0.42 H new ATOM 0 HD11 ILE A 110 11.623 8.524 -14.428 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.245 9.449 -13.041 1.00 0.55 H new ATOM 0 HD13 ILE A 110 10.897 8.309 -12.817 1.00 0.55 H new ATOM 1767 N LYS A 111 9.953 12.528 -9.924 1.00 0.36 N ATOM 1768 CA LYS A 111 9.492 13.632 -9.091 1.00 0.37 C ATOM 1769 C LYS A 111 10.287 13.693 -7.794 1.00 0.40 C ATOM 1770 O LYS A 111 11.391 13.159 -7.701 1.00 0.48 O ATOM 1771 CB LYS A 111 8.005 13.469 -8.769 1.00 0.39 C ATOM 1772 CG LYS A 111 7.083 14.068 -9.818 1.00 0.51 C ATOM 1773 CD LYS A 111 5.764 14.510 -9.203 1.00 0.65 C ATOM 1774 CE LYS A 111 4.934 13.323 -8.737 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.587 13.741 -8.261 1.00 1.28 N ATOM 0 H LYS A 111 9.650 11.608 -9.605 1.00 0.36 H new ATOM 0 HA LYS A 111 9.642 14.559 -9.644 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.780 12.408 -8.663 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.798 13.936 -7.806 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.571 14.921 -10.290 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.894 13.334 -10.602 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.960 15.171 -8.359 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.197 15.086 -9.934 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.825 12.612 -9.556 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.459 12.806 -7.934 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.053 12.904 -7.952 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.690 14.400 -7.463 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 3.076 14.212 -9.035 1.00 1.28 H new ATOM 1789 N GLN A 112 9.720 14.363 -6.797 1.00 0.43 N ATOM 1790 CA GLN A 112 10.358 14.481 -5.496 1.00 0.56 C ATOM 1791 C GLN A 112 9.999 13.279 -4.636 1.00 0.65 C ATOM 1792 O GLN A 112 10.262 12.140 -5.023 1.00 1.51 O ATOM 1793 CB GLN A 112 9.934 15.786 -4.820 1.00 0.66 C ATOM 1794 CG GLN A 112 10.625 17.018 -5.384 1.00 0.69 C ATOM 1795 CD GLN A 112 10.194 18.295 -4.690 1.00 1.29 C ATOM 1796 OE1 GLN A 112 9.237 18.948 -5.105 1.00 2.15 O ATOM 1797 NE2 GLN A 112 10.900 18.657 -3.625 1.00 2.03 N ATOM 0 H GLN A 112 8.817 14.833 -6.868 1.00 0.43 H new ATOM 0 HA GLN A 112 11.440 14.502 -5.624 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.856 15.905 -4.924 1.00 0.66 H new ATOM 0 HB3 GLN A 112 10.146 15.718 -3.753 1.00 0.66 H new ATOM 0 HG2 GLN A 112 11.704 16.902 -5.286 1.00 0.69 H new ATOM 0 HG3 GLN A 112 10.408 17.096 -6.449 1.00 0.69 H new ATOM 0 HE21 GLN A 112 11.686 18.085 -3.316 1.00 2.03 H new ATOM 0 HE22 GLN A 112 10.656 19.507 -3.116 1.00 2.03 H new ATOM 1806 N LEU A 113 9.418 13.531 -3.467 1.00 0.37 N ATOM 1807 CA LEU A 113 8.994 12.454 -2.586 1.00 0.29 C ATOM 1808 C LEU A 113 10.174 11.646 -2.069 1.00 0.30 C ATOM 1809 O LEU A 113 10.006 10.509 -1.629 1.00 0.44 O ATOM 1810 CB LEU A 113 8.031 11.537 -3.329 1.00 0.24 C ATOM 1811 CG LEU A 113 6.694 12.168 -3.704 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.928 12.562 -2.451 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.873 13.372 -4.619 1.00 0.36 C ATOM 0 H LEU A 113 9.232 14.468 -3.111 1.00 0.37 H new ATOM 0 HA LEU A 113 8.497 12.903 -1.726 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.517 11.186 -4.239 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.840 10.659 -2.711 1.00 0.24 H new ATOM 0 HG LEU A 113 6.119 11.423 -4.254 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.976 13.011 -2.733 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.745 11.676 -1.843 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.513 13.281 -1.878 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.897 13.792 -4.863 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.477 14.126 -4.114 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.373 13.061 -5.536 1.00 0.36 H new ATOM 1825 N ASN A 114 11.365 12.227 -2.120 1.00 0.19 N ATOM 1826 CA ASN A 114 12.554 11.538 -1.644 1.00 0.18 C ATOM 1827 C ASN A 114 12.353 11.069 -0.209 1.00 0.16 C ATOM 1828 O ASN A 114 12.889 10.038 0.193 1.00 0.18 O ATOM 1829 CB ASN A 114 13.779 12.445 -1.739 1.00 0.20 C ATOM 1830 CG ASN A 114 13.935 13.066 -3.113 1.00 0.27 C ATOM 1831 OD1 ASN A 114 14.591 12.505 -3.989 1.00 1.10 O ATOM 1832 ND2 ASN A 114 13.330 14.233 -3.307 1.00 1.22 N ATOM 0 H ASN A 114 11.532 13.165 -2.483 1.00 0.19 H new ATOM 0 HA ASN A 114 12.723 10.667 -2.277 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.701 13.236 -0.993 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.673 11.869 -1.500 1.00 0.20 H new ATOM 0 HD21 ASN A 114 13.400 14.699 -4.211 1.00 1.22 H new ATOM 0 HD22 ASN A 114 12.796 14.662 -2.552 1.00 1.22 H new ATOM 1839 N HIS A 115 11.576 11.833 0.560 1.00 0.16 N ATOM 1840 CA HIS A 115 11.286 11.477 1.944 1.00 0.14 C ATOM 1841 C HIS A 115 10.673 10.085 1.996 1.00 0.13 C ATOM 1842 O HIS A 115 11.023 9.265 2.849 1.00 0.12 O ATOM 1843 CB HIS A 115 10.336 12.494 2.572 1.00 0.15 C ATOM 1844 CG HIS A 115 10.944 13.848 2.780 1.00 0.28 C ATOM 1845 ND1 HIS A 115 10.508 14.726 3.750 1.00 1.33 N ATOM 1846 CD2 HIS A 115 11.958 14.477 2.137 1.00 0.92 C ATOM 1847 CE1 HIS A 115 11.224 15.835 3.695 1.00 1.14 C ATOM 1848 NE2 HIS A 115 12.111 15.709 2.726 1.00 0.51 N ATOM 0 H HIS A 115 11.139 12.699 0.246 1.00 0.16 H new ATOM 0 HA HIS A 115 12.217 11.482 2.511 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.457 12.596 1.936 1.00 0.15 H new ATOM 0 HB3 HIS A 115 9.992 12.110 3.532 1.00 0.15 H new ATOM 0 HD2 HIS A 115 12.538 14.083 1.315 1.00 0.92 H new ATOM 0 HE1 HIS A 115 11.104 16.697 4.334 1.00 1.14 H new ATOM 0 HE2 HIS A 115 12.799 16.413 2.458 1.00 0.51 H new ATOM 1857 N PHE A 116 9.738 9.829 1.085 1.00 0.13 N ATOM 1858 CA PHE A 116 9.115 8.522 1.001 1.00 0.13 C ATOM 1859 C PHE A 116 10.219 7.483 0.860 1.00 0.12 C ATOM 1860 O PHE A 116 10.280 6.505 1.608 1.00 0.16 O ATOM 1861 CB PHE A 116 8.154 8.472 -0.191 1.00 0.15 C ATOM 1862 CG PHE A 116 7.802 7.082 -0.641 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.275 6.168 0.255 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.998 6.690 -1.956 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.950 4.890 -0.149 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.674 5.411 -2.365 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.160 4.516 -1.486 1.00 0.21 C ATOM 0 H PHE A 116 9.401 10.507 0.402 1.00 0.13 H new ATOM 0 HA PHE A 116 8.532 8.316 1.899 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.237 8.999 0.073 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.601 9.010 -1.027 1.00 0.15 H new ATOM 0 HD1 PHE A 116 7.116 6.459 1.283 1.00 0.73 H new ATOM 0 HD2 PHE A 116 8.408 7.391 -2.668 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.538 4.184 0.556 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.831 5.122 -3.394 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.912 3.517 -1.814 1.00 0.21 H new ATOM 1877 N TRP A 117 11.114 7.729 -0.091 1.00 0.14 N ATOM 1878 CA TRP A 117 12.246 6.849 -0.317 1.00 0.15 C ATOM 1879 C TRP A 117 12.990 6.640 0.998 1.00 0.15 C ATOM 1880 O TRP A 117 13.390 5.522 1.324 1.00 0.19 O ATOM 1881 CB TRP A 117 13.169 7.448 -1.392 1.00 0.19 C ATOM 1882 CG TRP A 117 14.635 7.211 -1.163 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.476 7.965 -0.395 1.00 0.47 C ATOM 1884 CD2 TRP A 117 15.434 6.160 -1.720 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.747 7.442 -0.433 1.00 0.60 N ATOM 1886 CE2 TRP A 117 16.746 6.335 -1.240 1.00 0.61 C ATOM 1887 CE3 TRP A 117 15.167 5.087 -2.574 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 17.787 5.480 -1.588 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 16.201 4.238 -2.918 1.00 0.88 C ATOM 1890 CH2 TRP A 117 17.497 4.438 -2.425 1.00 0.92 C ATOM 0 H TRP A 117 11.074 8.533 -0.717 1.00 0.14 H new ATOM 0 HA TRP A 117 11.899 5.881 -0.677 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.894 7.031 -2.361 1.00 0.19 H new ATOM 0 HB3 TRP A 117 12.992 8.522 -1.446 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.185 8.844 0.161 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.558 7.817 0.059 1.00 0.60 H new ATOM 0 HE3 TRP A 117 14.171 4.924 -2.958 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 18.787 5.634 -1.211 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 16.007 3.406 -3.578 1.00 0.88 H new ATOM 0 HH2 TRP A 117 18.283 3.755 -2.712 1.00 0.92 H new ATOM 1901 N GLU A 118 13.139 7.726 1.762 1.00 0.14 N ATOM 1902 CA GLU A 118 13.830 7.677 3.046 1.00 0.15 C ATOM 1903 C GLU A 118 13.222 6.619 3.959 1.00 0.14 C ATOM 1904 O GLU A 118 13.918 5.711 4.414 1.00 0.17 O ATOM 1905 CB GLU A 118 13.786 9.039 3.751 1.00 0.17 C ATOM 1906 CG GLU A 118 14.402 10.179 2.955 1.00 0.20 C ATOM 1907 CD GLU A 118 15.852 9.928 2.593 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.596 9.401 3.449 1.00 0.86 O ATOM 1909 OE2 GLU A 118 16.247 10.260 1.455 1.00 0.64 O ATOM 0 H GLU A 118 12.788 8.650 1.510 1.00 0.14 H new ATOM 0 HA GLU A 118 14.868 7.415 2.840 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.748 9.286 3.973 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.305 8.957 4.706 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.826 10.331 2.042 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.331 11.100 3.534 1.00 0.20 H new ATOM 1916 N ILE A 119 11.920 6.724 4.226 1.00 0.11 N ATOM 1917 CA ILE A 119 11.275 5.756 5.105 1.00 0.13 C ATOM 1918 C ILE A 119 11.415 4.339 4.567 1.00 0.14 C ATOM 1919 O ILE A 119 11.525 3.398 5.347 1.00 0.19 O ATOM 1920 CB ILE A 119 9.790 6.072 5.384 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.943 5.924 4.120 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.661 7.470 5.966 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.500 6.345 4.299 1.00 0.14 C ATOM 0 H ILE A 119 11.307 7.450 3.856 1.00 0.11 H new ATOM 0 HA ILE A 119 11.800 5.832 6.057 1.00 0.13 H new ATOM 0 HB ILE A 119 9.414 5.352 6.111 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.389 6.519 3.323 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.971 4.884 3.795 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.611 7.688 6.161 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.223 7.529 6.898 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.057 8.197 5.257 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.963 6.212 3.360 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.036 5.733 5.073 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.461 7.394 4.593 1.00 0.14 H new ATOM 1935 N VAL A 120 11.420 4.168 3.240 1.00 0.13 N ATOM 1936 CA VAL A 120 11.586 2.820 2.693 1.00 0.20 C ATOM 1937 C VAL A 120 12.987 2.289 3.031 1.00 0.21 C ATOM 1938 O VAL A 120 13.149 1.099 3.290 1.00 0.25 O ATOM 1939 CB VAL A 120 11.312 2.718 1.169 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.642 3.966 0.632 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.578 2.411 0.397 1.00 0.76 C ATOM 0 H VAL A 120 11.316 4.913 2.551 1.00 0.13 H new ATOM 0 HA VAL A 120 10.826 2.198 3.167 1.00 0.20 H new ATOM 0 HB VAL A 120 10.622 1.887 1.026 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.468 3.854 -0.438 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.690 4.115 1.141 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.286 4.828 0.806 1.00 0.82 H new ATOM 0 HG21 VAL A 120 12.349 2.347 -0.667 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.307 3.204 0.564 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.990 1.461 0.737 1.00 0.76 H new ATOM 1951 N VAL A 121 14.005 3.169 3.019 1.00 0.20 N ATOM 1952 CA VAL A 121 15.365 2.750 3.384 1.00 0.24 C ATOM 1953 C VAL A 121 15.382 2.395 4.863 1.00 0.26 C ATOM 1954 O VAL A 121 16.114 1.511 5.304 1.00 0.31 O ATOM 1955 CB VAL A 121 16.439 3.834 3.109 1.00 0.25 C ATOM 1956 CG1 VAL A 121 16.027 4.734 1.966 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.745 4.650 4.355 1.00 0.26 C ATOM 0 H VAL A 121 13.913 4.153 2.766 1.00 0.20 H new ATOM 0 HA VAL A 121 15.618 1.893 2.760 1.00 0.24 H new ATOM 0 HB VAL A 121 17.354 3.316 2.821 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.800 5.484 1.797 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.896 4.138 1.063 1.00 0.24 H new ATOM 0 HG13 VAL A 121 15.088 5.230 2.213 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.502 5.399 4.123 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.837 5.146 4.697 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.116 3.991 5.140 1.00 0.26 H new ATOM 1967 N GLN A 122 14.546 3.107 5.614 1.00 0.25 N ATOM 1968 CA GLN A 122 14.420 2.909 7.049 1.00 0.30 C ATOM 1969 C GLN A 122 13.478 1.749 7.359 1.00 0.35 C ATOM 1970 O GLN A 122 13.465 1.224 8.473 1.00 0.44 O ATOM 1971 CB GLN A 122 13.895 4.190 7.686 1.00 0.29 C ATOM 1972 CG GLN A 122 14.220 4.312 9.159 1.00 0.44 C ATOM 1973 CD GLN A 122 15.670 4.685 9.412 1.00 1.27 C ATOM 1974 OE1 GLN A 122 16.252 4.301 10.426 1.00 1.92 O ATOM 1975 NE2 GLN A 122 16.262 5.438 8.490 1.00 2.12 N ATOM 0 H GLN A 122 13.938 3.837 5.242 1.00 0.25 H new ATOM 0 HA GLN A 122 15.400 2.666 7.459 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.314 5.047 7.158 1.00 0.29 H new ATOM 0 HB3 GLN A 122 12.814 4.234 7.556 1.00 0.29 H new ATOM 0 HG2 GLN A 122 13.572 5.065 9.608 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.001 3.366 9.654 1.00 0.44 H new ATOM 0 HE21 GLN A 122 15.743 5.735 7.664 1.00 2.12 H new ATOM 0 HE22 GLN A 122 17.235 5.719 8.609 1.00 2.12 H new ATOM 1984 N ASP A 123 12.690 1.356 6.363 1.00 0.31 N ATOM 1985 CA ASP A 123 11.734 0.263 6.516 1.00 0.37 C ATOM 1986 C ASP A 123 12.166 -0.961 5.722 1.00 0.40 C ATOM 1987 O ASP A 123 11.547 -2.020 5.816 1.00 0.45 O ATOM 1988 CB ASP A 123 10.348 0.704 6.041 1.00 0.35 C ATOM 1989 CG ASP A 123 9.680 1.668 7.002 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.540 1.319 8.193 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.302 2.775 6.565 1.00 0.71 O ATOM 0 H ASP A 123 12.695 1.781 5.436 1.00 0.31 H new ATOM 0 HA ASP A 123 11.697 0.001 7.573 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.437 1.176 5.062 1.00 0.35 H new ATOM 0 HB3 ASP A 123 9.715 -0.174 5.915 1.00 0.35 H new ATOM 1996 N GLY A 124 13.230 -0.812 4.942 1.00 0.38 N ATOM 1997 CA GLY A 124 13.701 -1.910 4.127 1.00 0.43 C ATOM 1998 C GLY A 124 12.651 -2.334 3.120 1.00 0.44 C ATOM 1999 O GLY A 124 11.981 -3.350 3.303 1.00 0.55 O ATOM 0 H GLY A 124 13.772 0.048 4.861 1.00 0.38 H new ATOM 0 HA2 GLY A 124 14.611 -1.615 3.605 1.00 0.43 H new ATOM 0 HA3 GLY A 124 13.959 -2.755 4.765 1.00 0.43 H new ATOM 2003 N ILE A 125 12.517 -1.557 2.045 1.00 0.40 N ATOM 2004 CA ILE A 125 11.507 -1.822 1.025 1.00 0.44 C ATOM 2005 C ILE A 125 12.064 -1.713 -0.397 1.00 0.45 C ATOM 2006 O ILE A 125 11.648 -0.834 -1.153 1.00 0.48 O ATOM 2007 CB ILE A 125 10.362 -0.798 1.151 1.00 0.47 C ATOM 2008 CG1 ILE A 125 10.021 -0.537 2.623 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.136 -1.261 0.389 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.391 -1.717 3.326 1.00 0.49 C ATOM 0 H ILE A 125 13.097 -0.739 1.860 1.00 0.40 H new ATOM 0 HA ILE A 125 11.159 -2.842 1.190 1.00 0.44 H new ATOM 0 HB ILE A 125 10.700 0.140 0.710 1.00 0.47 H new ATOM 0 HG12 ILE A 125 10.932 -0.256 3.152 1.00 0.58 H new ATOM 0 HG13 ILE A 125 9.342 0.314 2.683 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.342 -0.522 0.493 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.386 -1.379 -0.665 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.797 -2.216 0.790 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.180 -1.453 4.362 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.462 -1.986 2.824 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.076 -2.564 3.300 1.00 0.49 H new ATOM 2022 N THR A 126 13.004 -2.577 -0.775 1.00 0.45 N ATOM 2023 CA THR A 126 13.562 -2.494 -2.123 1.00 0.47 C ATOM 2024 C THR A 126 13.937 -3.848 -2.729 1.00 0.48 C ATOM 2025 O THR A 126 14.099 -4.844 -2.027 1.00 0.57 O ATOM 2026 CB THR A 126 14.775 -1.561 -2.153 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.653 -0.599 -1.108 1.00 0.55 O ATOM 2028 CG2 THR A 126 14.893 -0.844 -3.486 1.00 0.53 C ATOM 0 H THR A 126 13.385 -3.320 -0.189 1.00 0.45 H new ATOM 0 HA THR A 126 12.761 -2.089 -2.742 1.00 0.47 H new ATOM 0 HB THR A 126 15.672 -2.164 -2.012 1.00 0.49 H new ATOM 0 HG1 THR A 126 15.429 -0.000 -1.122 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.765 -0.190 -3.472 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.002 -1.577 -4.285 1.00 0.53 H new ATOM 0 HG23 THR A 126 13.996 -0.249 -3.660 1.00 0.53 H new ATOM 2036 N LEU A 127 14.061 -3.836 -4.057 1.00 0.47 N ATOM 2037 CA LEU A 127 14.428 -5.002 -4.871 1.00 0.48 C ATOM 2038 C LEU A 127 13.778 -6.311 -4.416 1.00 0.46 C ATOM 2039 O LEU A 127 13.022 -6.359 -3.446 1.00 0.52 O ATOM 2040 CB LEU A 127 15.956 -5.152 -4.944 1.00 0.52 C ATOM 2041 CG LEU A 127 16.647 -5.804 -3.740 1.00 0.66 C ATOM 2042 CD1 LEU A 127 16.727 -7.309 -3.915 1.00 1.29 C ATOM 2043 CD2 LEU A 127 18.045 -5.238 -3.574 1.00 1.19 C ATOM 0 H LEU A 127 13.906 -2.995 -4.613 1.00 0.47 H new ATOM 0 HA LEU A 127 14.032 -4.805 -5.867 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.198 -5.737 -5.832 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.388 -4.162 -5.088 1.00 0.52 H new ATOM 0 HG LEU A 127 16.058 -5.586 -2.849 1.00 0.66 H new ATOM 0 HD11 LEU A 127 17.221 -7.750 -3.049 1.00 1.29 H new ATOM 0 HD12 LEU A 127 15.721 -7.719 -4.007 1.00 1.29 H new ATOM 0 HD13 LEU A 127 17.297 -7.541 -4.815 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.528 -5.707 -2.717 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.628 -5.438 -4.473 1.00 1.19 H new ATOM 0 HD23 LEU A 127 17.985 -4.162 -3.413 1.00 1.19 H new