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 39 ASN : amide:sc= -3.3 K(o=-3.4,f=-2.7!) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.104 K(o=-3.4,f=-2.7) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.7) USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -1.97! (180deg=-3.11!) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.228 (180deg=-1.25) USER MOD Single : A 50 SER OG : rot -160:sc= -1.46! USER MOD Single : A 55 SER OG : rot -94:sc= 0.333! USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 60 ASN : amide:sc= -0.914 K(o=-0.91,f=-1.8) USER MOD Single : A 61 HIS : no HD1:sc= -4.67 K(o=-4.7,f=-10!) USER MOD Single : A 64 GLN : amide:sc= -0.0342 K(o=-0.034,f=-3.2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 69 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.067) 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 178:sc= 0 (180deg=-0.0141) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= -10! (180deg=-10.6!) USER MOD Single : A 77 SER OG : rot -97:sc= -0.122 USER MOD Single : A 80 CYS SG : rot -70:sc= -6.05! USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.0452 (180deg=-0.317) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 98 ASN : amide:sc= -4.41! C(o=-4.4!,f=-8.9!) USER MOD Single : A 99 ASN : amide:sc= -2.31! C(o=-2.3!,f=-2.3!) USER MOD Single : A 102 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0236) USER MOD Single : A 105 GLN : amide:sc= -4.42! K(o=-4.4!,f=-0.32) USER MOD Single : A 107 LYS NZ :NH3+ -152:sc= -4.88! (180deg=-5.55!) USER MOD Single : A 111 LYS NZ :NH3+ -164:sc= -0.124 (180deg=-0.773) USER MOD Single : A 112 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.59) USER MOD Single : A 114 ASN : amide:sc= -0.854 K(o=-0.85,f=-0.14) USER MOD Single : A 115 HIS : no HD1:sc= -0.097 X(o=-0.097,f=-0.064) USER MOD Single : A 122 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.2!) USER MOD Single : A 126 THR OG1 : rot -157:sc= 0.685 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -6.368 1.786 2.412 1.00 0.33 N ATOM 516 CA PRO A 36 -6.548 2.039 0.987 1.00 0.40 C ATOM 517 C PRO A 36 -6.071 0.861 0.150 1.00 0.35 C ATOM 518 O PRO A 36 -6.256 0.826 -1.065 1.00 0.48 O ATOM 519 CB PRO A 36 -5.675 3.259 0.738 1.00 0.47 C ATOM 520 CG PRO A 36 -4.578 3.139 1.734 1.00 0.27 C ATOM 521 CD PRO A 36 -5.182 2.487 2.949 1.00 0.30 C ATOM 0 HA PRO A 36 -7.593 2.189 0.715 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.287 3.269 -0.281 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.236 4.183 0.874 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.757 2.540 1.339 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -4.168 4.118 1.981 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.485 1.794 3.420 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.459 3.223 3.704 1.00 0.30 H new ATOM 529 N ALA A 37 -5.426 -0.085 0.817 1.00 0.27 N ATOM 530 CA ALA A 37 -4.919 -1.278 0.162 1.00 0.31 C ATOM 531 C ALA A 37 -5.980 -2.375 0.104 1.00 0.29 C ATOM 532 O ALA A 37 -6.141 -3.046 -0.913 1.00 0.35 O ATOM 533 CB ALA A 37 -3.686 -1.783 0.889 1.00 0.37 C ATOM 0 H ALA A 37 -5.241 -0.047 1.819 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.653 -1.015 -0.862 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -3.312 -2.678 0.392 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.915 -1.012 0.877 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.944 -2.022 1.921 1.00 0.37 H new ATOM 539 N GLU A 38 -6.712 -2.541 1.203 1.00 0.28 N ATOM 540 CA GLU A 38 -7.736 -3.580 1.295 1.00 0.30 C ATOM 541 C GLU A 38 -8.652 -3.597 0.077 1.00 0.25 C ATOM 542 O GLU A 38 -9.102 -4.663 -0.341 1.00 0.25 O ATOM 543 CB GLU A 38 -8.551 -3.423 2.580 1.00 0.38 C ATOM 544 CG GLU A 38 -9.682 -2.409 2.479 1.00 0.39 C ATOM 545 CD GLU A 38 -10.457 -2.272 3.774 1.00 0.86 C ATOM 546 OE1 GLU A 38 -11.383 -3.080 4.001 1.00 1.36 O ATOM 547 OE2 GLU A 38 -10.142 -1.354 4.561 1.00 1.46 O ATOM 0 H GLU A 38 -6.616 -1.970 2.042 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.218 -4.539 1.321 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.969 -4.392 2.853 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.882 -3.126 3.388 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.271 -1.438 2.201 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.363 -2.707 1.682 1.00 0.39 H new ATOM 554 N ASN A 39 -8.944 -2.430 -0.494 1.00 0.28 N ATOM 555 CA ASN A 39 -9.788 -2.386 -1.681 1.00 0.30 C ATOM 556 C ASN A 39 -9.114 -3.178 -2.791 1.00 0.24 C ATOM 557 O ASN A 39 -9.722 -4.072 -3.394 1.00 0.22 O ATOM 558 CB ASN A 39 -10.060 -0.947 -2.126 1.00 0.37 C ATOM 559 CG ASN A 39 -8.862 -0.042 -1.947 1.00 1.22 C ATOM 560 OD1 ASN A 39 -8.731 0.631 -0.925 1.00 2.04 O ATOM 561 ND2 ASN A 39 -7.984 -0.016 -2.942 1.00 2.00 N ATOM 0 H ASN A 39 -8.616 -1.523 -0.162 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.755 -2.831 -1.445 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -10.357 -0.946 -3.175 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -10.899 -0.548 -1.557 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -7.158 0.580 -2.878 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -8.135 -0.592 -3.770 1.00 2.00 H new ATOM 568 N PHE A 40 -7.843 -2.862 -3.049 1.00 0.23 N ATOM 569 CA PHE A 40 -7.089 -3.590 -4.053 1.00 0.21 C ATOM 570 C PHE A 40 -7.254 -5.072 -3.766 1.00 0.17 C ATOM 571 O PHE A 40 -7.559 -5.870 -4.653 1.00 0.19 O ATOM 572 CB PHE A 40 -5.592 -3.195 -4.028 1.00 0.23 C ATOM 573 CG PHE A 40 -4.670 -4.274 -3.499 1.00 0.95 C ATOM 574 CD1 PHE A 40 -4.538 -5.478 -4.169 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.961 -4.094 -2.321 1.00 1.48 C ATOM 576 CE1 PHE A 40 -3.730 -6.481 -3.680 1.00 2.32 C ATOM 577 CE2 PHE A 40 -3.140 -5.092 -1.830 1.00 2.20 C ATOM 578 CZ PHE A 40 -3.027 -6.291 -2.509 1.00 2.54 C ATOM 0 H PHE A 40 -7.327 -2.117 -2.581 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.464 -3.347 -5.047 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -5.281 -2.932 -5.039 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.475 -2.301 -3.415 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -5.078 -5.634 -5.091 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -4.051 -3.163 -1.781 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -3.647 -7.416 -4.214 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.587 -4.935 -0.916 1.00 2.20 H new ATOM 0 HZ PHE A 40 -2.391 -7.075 -2.124 1.00 2.54 H new ATOM 588 N ARG A 41 -7.043 -5.416 -2.498 1.00 0.15 N ATOM 589 CA ARG A 41 -7.153 -6.786 -2.040 1.00 0.18 C ATOM 590 C ARG A 41 -8.506 -7.361 -2.410 1.00 0.21 C ATOM 591 O ARG A 41 -8.620 -8.535 -2.753 1.00 0.25 O ATOM 592 CB ARG A 41 -6.949 -6.848 -0.536 1.00 0.24 C ATOM 593 CG ARG A 41 -5.498 -6.937 -0.114 1.00 0.32 C ATOM 594 CD ARG A 41 -5.321 -6.421 1.299 1.00 0.33 C ATOM 595 NE ARG A 41 -3.964 -6.631 1.795 1.00 1.36 N ATOM 596 CZ ARG A 41 -3.527 -6.163 2.960 1.00 1.65 C ATOM 597 NH1 ARG A 41 -4.335 -5.455 3.739 1.00 1.07 N ATOM 598 NH2 ARG A 41 -2.281 -6.402 3.347 1.00 2.77 N ATOM 0 H ARG A 41 -6.792 -4.751 -1.766 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.380 -7.381 -2.527 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.395 -5.963 -0.083 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -7.485 -7.712 -0.142 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -5.159 -7.971 -0.174 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.878 -6.358 -0.799 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.556 -5.357 1.328 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -6.029 -6.922 1.959 1.00 0.33 H new ATOM 0 HE ARG A 41 -3.316 -7.166 1.216 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -5.294 -5.269 3.444 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -3.997 -5.097 4.632 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -1.657 -6.945 2.750 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -1.947 -6.042 4.241 1.00 2.77 H new ATOM 612 N VAL A 42 -9.537 -6.526 -2.328 1.00 0.21 N ATOM 613 CA VAL A 42 -10.874 -6.958 -2.683 1.00 0.24 C ATOM 614 C VAL A 42 -10.892 -7.393 -4.138 1.00 0.20 C ATOM 615 O VAL A 42 -11.461 -8.423 -4.472 1.00 0.26 O ATOM 616 CB VAL A 42 -11.928 -5.850 -2.444 1.00 0.29 C ATOM 617 CG1 VAL A 42 -13.173 -6.087 -3.290 1.00 0.35 C ATOM 618 CG2 VAL A 42 -12.300 -5.783 -0.972 1.00 0.35 C ATOM 0 H VAL A 42 -9.469 -5.556 -2.021 1.00 0.21 H new ATOM 0 HA VAL A 42 -11.139 -7.797 -2.039 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.490 -4.898 -2.742 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.897 -5.294 -3.102 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.901 -6.088 -4.346 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.613 -7.049 -3.028 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -13.042 -4.999 -0.820 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.714 -6.741 -0.657 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -11.411 -5.561 -0.382 1.00 0.35 H new ATOM 628 N LEU A 43 -10.247 -6.618 -5.002 1.00 0.15 N ATOM 629 CA LEU A 43 -10.207 -6.966 -6.422 1.00 0.15 C ATOM 630 C LEU A 43 -9.390 -8.236 -6.667 1.00 0.12 C ATOM 631 O LEU A 43 -9.768 -9.061 -7.499 1.00 0.14 O ATOM 632 CB LEU A 43 -9.654 -5.817 -7.260 1.00 0.16 C ATOM 633 CG LEU A 43 -10.457 -4.526 -7.171 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.828 -3.606 -6.152 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.550 -3.849 -8.529 1.00 0.24 C ATOM 0 H LEU A 43 -9.753 -5.761 -4.754 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.235 -7.156 -6.731 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.630 -5.615 -6.946 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.611 -6.132 -8.303 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.472 -4.764 -6.853 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.404 -2.683 -6.090 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.819 -4.094 -5.177 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.806 -3.376 -6.452 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -11.128 -2.930 -8.438 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.548 -3.614 -8.888 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -11.041 -4.518 -9.236 1.00 0.24 H new ATOM 647 N VAL A 44 -8.276 -8.401 -5.950 1.00 0.11 N ATOM 648 CA VAL A 44 -7.446 -9.592 -6.134 1.00 0.12 C ATOM 649 C VAL A 44 -8.112 -10.823 -5.526 1.00 0.15 C ATOM 650 O VAL A 44 -7.881 -11.947 -5.973 1.00 0.20 O ATOM 651 CB VAL A 44 -6.017 -9.439 -5.554 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.360 -8.159 -6.037 1.00 0.14 C ATOM 653 CG2 VAL A 44 -6.008 -9.491 -4.036 1.00 0.14 C ATOM 0 H VAL A 44 -7.934 -7.741 -5.252 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.348 -9.719 -7.212 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.440 -10.288 -5.921 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.359 -8.081 -5.613 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.293 -8.173 -7.125 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.956 -7.303 -5.721 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.986 -9.380 -3.674 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.623 -8.683 -3.641 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.409 -10.448 -3.702 1.00 0.14 H new ATOM 663 N LYS A 45 -8.955 -10.607 -4.520 1.00 0.19 N ATOM 664 CA LYS A 45 -9.647 -11.709 -3.855 1.00 0.26 C ATOM 665 C LYS A 45 -11.017 -11.954 -4.486 1.00 0.27 C ATOM 666 O LYS A 45 -11.611 -13.019 -4.307 1.00 0.32 O ATOM 667 CB LYS A 45 -9.798 -11.421 -2.357 1.00 0.32 C ATOM 668 CG LYS A 45 -10.930 -10.463 -2.023 1.00 0.34 C ATOM 669 CD LYS A 45 -11.052 -10.242 -0.522 1.00 0.42 C ATOM 670 CE LYS A 45 -9.876 -9.450 0.028 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.979 -9.247 1.499 1.00 0.75 N ATOM 0 H LYS A 45 -9.175 -9.683 -4.148 1.00 0.19 H new ATOM 0 HA LYS A 45 -9.046 -12.610 -3.981 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.965 -12.361 -1.832 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.862 -11.007 -1.981 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.758 -9.508 -2.519 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.869 -10.859 -2.411 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.980 -9.712 -0.307 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -11.110 -11.206 -0.016 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -8.948 -9.973 -0.202 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.827 -8.481 -0.469 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -9.158 -8.703 1.833 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.852 -8.725 1.717 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -9.999 -10.171 1.976 1.00 0.75 H new ATOM 685 N GLN A 46 -11.514 -10.964 -5.225 1.00 0.26 N ATOM 686 CA GLN A 46 -12.813 -11.074 -5.883 1.00 0.31 C ATOM 687 C GLN A 46 -12.645 -11.196 -7.396 1.00 0.34 C ATOM 688 O GLN A 46 -11.573 -11.552 -7.885 1.00 0.38 O ATOM 689 CB GLN A 46 -13.689 -9.861 -5.555 1.00 0.30 C ATOM 690 CG GLN A 46 -13.961 -9.689 -4.071 1.00 0.30 C ATOM 691 CD GLN A 46 -14.730 -10.855 -3.479 1.00 0.37 C ATOM 692 OE1 GLN A 46 -15.524 -11.501 -4.161 1.00 1.06 O ATOM 693 NE2 GLN A 46 -14.499 -11.127 -2.198 1.00 1.27 N ATOM 0 H GLN A 46 -11.036 -10.077 -5.383 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.302 -11.974 -5.510 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -13.205 -8.961 -5.933 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.639 -9.957 -6.081 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -13.014 -9.577 -3.543 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.524 -8.769 -3.913 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -13.832 -10.565 -1.670 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -14.989 -11.898 -1.744 1.00 1.27 H new ATOM 702 N LYS A 47 -13.713 -10.895 -8.130 1.00 0.40 N ATOM 703 CA LYS A 47 -13.691 -10.967 -9.586 1.00 0.46 C ATOM 704 C LYS A 47 -13.446 -9.590 -10.194 1.00 0.42 C ATOM 705 O LYS A 47 -13.256 -9.459 -11.403 1.00 0.47 O ATOM 706 CB LYS A 47 -15.024 -11.510 -10.099 1.00 0.52 C ATOM 707 CG LYS A 47 -16.188 -10.562 -9.849 1.00 0.53 C ATOM 708 CD LYS A 47 -17.485 -11.088 -10.448 1.00 0.85 C ATOM 709 CE LYS A 47 -17.603 -10.750 -11.927 1.00 1.64 C ATOM 710 NZ LYS A 47 -16.536 -11.399 -12.738 1.00 2.55 N ATOM 0 H LYS A 47 -14.607 -10.598 -7.738 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.880 -11.633 -9.881 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -14.944 -11.704 -11.169 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.231 -12.465 -9.617 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.315 -10.418 -8.776 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -15.960 -9.586 -10.277 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.533 -12.169 -10.317 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -18.332 -10.664 -9.910 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -18.579 -11.067 -12.294 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -17.549 -9.669 -12.057 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -16.837 -11.449 -13.732 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -15.660 -10.842 -12.669 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -16.364 -12.360 -12.380 1.00 2.55 H new ATOM 724 N LYS A 48 -13.460 -8.570 -9.342 1.00 0.36 N ATOM 725 CA LYS A 48 -13.260 -7.189 -9.777 1.00 0.40 C ATOM 726 C LYS A 48 -12.098 -7.059 -10.762 1.00 0.53 C ATOM 727 O LYS A 48 -12.307 -7.003 -11.974 1.00 1.19 O ATOM 728 CB LYS A 48 -13.017 -6.288 -8.569 1.00 0.32 C ATOM 729 CG LYS A 48 -14.207 -5.411 -8.206 1.00 0.73 C ATOM 730 CD LYS A 48 -15.323 -6.216 -7.563 1.00 0.46 C ATOM 731 CE LYS A 48 -14.949 -6.660 -6.159 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.053 -7.405 -5.497 1.00 1.46 N ATOM 0 H LYS A 48 -13.609 -8.674 -8.338 1.00 0.36 H new ATOM 0 HA LYS A 48 -14.168 -6.876 -10.293 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.760 -6.909 -7.711 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -12.156 -5.651 -8.771 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.885 -4.625 -7.523 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -14.583 -4.919 -9.103 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -16.232 -5.616 -7.526 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.543 -7.090 -8.176 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.061 -7.291 -6.203 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.690 -5.787 -5.560 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.957 -7.323 -4.465 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.967 -7.006 -5.792 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.008 -8.407 -5.771 1.00 1.46 H new ATOM 746 N ALA A 49 -10.876 -7.008 -10.238 1.00 0.26 N ATOM 747 CA ALA A 49 -9.691 -6.865 -11.079 1.00 0.22 C ATOM 748 C ALA A 49 -8.675 -7.966 -10.824 1.00 0.20 C ATOM 749 O ALA A 49 -8.878 -8.838 -9.981 1.00 0.24 O ATOM 750 CB ALA A 49 -9.042 -5.513 -10.845 1.00 0.21 C ATOM 0 H ALA A 49 -10.681 -7.063 -9.238 1.00 0.26 H new ATOM 0 HA ALA A 49 -10.019 -6.944 -12.115 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.160 -5.419 -11.478 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.751 -4.722 -11.090 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.749 -5.426 -9.799 1.00 0.21 H new ATOM 756 N SER A 50 -7.579 -7.910 -11.569 1.00 0.21 N ATOM 757 CA SER A 50 -6.505 -8.878 -11.428 1.00 0.21 C ATOM 758 C SER A 50 -5.465 -8.357 -10.448 1.00 0.18 C ATOM 759 O SER A 50 -5.515 -7.199 -10.034 1.00 0.19 O ATOM 760 CB SER A 50 -5.855 -9.156 -12.785 1.00 0.25 C ATOM 761 OG SER A 50 -5.532 -7.949 -13.451 1.00 0.27 O ATOM 0 H SER A 50 -7.412 -7.199 -12.281 1.00 0.21 H new ATOM 0 HA SER A 50 -6.921 -9.810 -11.045 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.952 -9.751 -12.645 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.532 -9.746 -13.402 1.00 0.25 H new ATOM 0 HG SER A 50 -5.422 -8.123 -14.409 1.00 0.27 H new ATOM 767 N PHE A 51 -4.524 -9.213 -10.081 1.00 0.19 N ATOM 768 CA PHE A 51 -3.473 -8.834 -9.152 1.00 0.20 C ATOM 769 C PHE A 51 -2.610 -7.719 -9.742 1.00 0.23 C ATOM 770 O PHE A 51 -1.787 -7.136 -9.050 1.00 0.26 O ATOM 771 CB PHE A 51 -2.633 -10.070 -8.798 1.00 0.23 C ATOM 772 CG PHE A 51 -1.826 -9.926 -7.544 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.454 -9.844 -6.316 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.446 -9.871 -7.591 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.724 -9.709 -5.154 1.00 0.97 C ATOM 776 CE2 PHE A 51 0.291 -9.736 -6.435 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.351 -9.652 -5.214 1.00 0.43 C ATOM 0 H PHE A 51 -4.467 -10.176 -10.413 1.00 0.19 H new ATOM 0 HA PHE A 51 -3.920 -8.447 -8.236 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.297 -10.928 -8.693 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.960 -10.287 -9.627 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.532 -9.886 -6.266 1.00 0.98 H new ATOM 0 HD2 PHE A 51 0.060 -9.934 -8.543 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -2.228 -9.648 -4.201 1.00 0.97 H new ATOM 0 HE2 PHE A 51 1.369 -9.696 -6.483 1.00 1.05 H new ATOM 0 HZ PHE A 51 0.225 -9.542 -4.307 1.00 0.43 H new ATOM 787 N GLU A 52 -2.775 -7.462 -11.040 1.00 0.25 N ATOM 788 CA GLU A 52 -2.035 -6.393 -11.714 1.00 0.28 C ATOM 789 C GLU A 52 -2.790 -5.062 -11.656 1.00 0.25 C ATOM 790 O GLU A 52 -2.243 -4.054 -11.216 1.00 0.28 O ATOM 791 CB GLU A 52 -1.714 -6.806 -13.154 1.00 0.33 C ATOM 792 CG GLU A 52 -2.765 -6.419 -14.183 1.00 0.35 C ATOM 793 CD GLU A 52 -2.370 -6.808 -15.595 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.682 -6.005 -16.259 1.00 0.83 O ATOM 795 OE2 GLU A 52 -2.750 -7.913 -16.034 1.00 0.80 O ATOM 0 H GLU A 52 -3.413 -7.978 -11.645 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.094 -6.237 -11.187 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.763 -6.357 -13.441 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.578 -7.887 -13.184 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.710 -6.898 -13.929 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -2.931 -5.343 -14.140 1.00 0.35 H new ATOM 802 N GLU A 53 -4.042 -5.058 -12.115 1.00 0.24 N ATOM 803 CA GLU A 53 -4.859 -3.848 -12.096 1.00 0.23 C ATOM 804 C GLU A 53 -5.045 -3.379 -10.669 1.00 0.19 C ATOM 805 O GLU A 53 -4.883 -2.199 -10.364 1.00 0.21 O ATOM 806 CB GLU A 53 -6.227 -4.103 -12.726 1.00 0.27 C ATOM 807 CG GLU A 53 -7.244 -3.027 -12.391 1.00 1.06 C ATOM 808 CD GLU A 53 -8.441 -3.035 -13.322 1.00 1.05 C ATOM 809 OE1 GLU A 53 -8.292 -2.618 -14.488 1.00 1.26 O ATOM 810 OE2 GLU A 53 -9.528 -3.465 -12.884 1.00 1.23 O ATOM 0 H GLU A 53 -4.510 -5.877 -12.503 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.345 -3.081 -12.675 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.116 -4.166 -13.809 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.603 -5.068 -12.387 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.587 -3.165 -11.366 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.761 -2.051 -12.437 1.00 1.06 H new ATOM 817 N ALA A 54 -5.404 -4.314 -9.802 1.00 0.19 N ATOM 818 CA ALA A 54 -5.599 -4.007 -8.402 1.00 0.16 C ATOM 819 C ALA A 54 -4.397 -3.247 -7.871 1.00 0.18 C ATOM 820 O ALA A 54 -4.541 -2.273 -7.128 1.00 0.17 O ATOM 821 CB ALA A 54 -5.843 -5.282 -7.616 1.00 0.16 C ATOM 0 H ALA A 54 -5.565 -5.291 -10.048 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.478 -3.373 -8.287 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -5.988 -5.038 -6.564 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -6.733 -5.781 -7.999 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -4.983 -5.944 -7.720 1.00 0.16 H new ATOM 827 N SER A 55 -3.200 -3.684 -8.264 1.00 0.26 N ATOM 828 CA SER A 55 -1.997 -2.994 -7.840 1.00 0.31 C ATOM 829 C SER A 55 -1.985 -1.634 -8.453 1.00 0.33 C ATOM 830 O SER A 55 -1.788 -0.634 -7.783 1.00 0.39 O ATOM 831 CB SER A 55 -0.724 -3.704 -8.288 1.00 0.43 C ATOM 832 OG SER A 55 -1.016 -4.837 -9.079 1.00 1.20 O ATOM 0 H SER A 55 -3.046 -4.495 -8.862 1.00 0.26 H new ATOM 0 HA SER A 55 -2.012 -2.961 -6.751 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.101 -3.013 -8.856 1.00 0.43 H new ATOM 0 HB3 SER A 55 -0.148 -4.008 -7.414 1.00 0.43 H new ATOM 0 HG SER A 55 -1.041 -5.635 -8.511 1.00 1.20 H new ATOM 838 N ASN A 56 -2.199 -1.624 -9.752 1.00 0.32 N ATOM 839 CA ASN A 56 -2.208 -0.406 -10.508 1.00 0.35 C ATOM 840 C ASN A 56 -3.017 0.665 -9.793 1.00 0.30 C ATOM 841 O ASN A 56 -2.577 1.801 -9.691 1.00 0.34 O ATOM 842 CB ASN A 56 -2.749 -0.672 -11.916 1.00 0.40 C ATOM 843 CG ASN A 56 -1.651 -1.026 -12.900 1.00 0.49 C ATOM 844 OD1 ASN A 56 -0.630 -1.606 -12.528 1.00 1.19 O ATOM 845 ND2 ASN A 56 -1.857 -0.675 -14.165 1.00 1.19 N ATOM 0 H ASN A 56 -2.371 -2.463 -10.306 1.00 0.32 H new ATOM 0 HA ASN A 56 -1.187 -0.035 -10.599 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.473 -1.485 -11.876 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -3.280 0.211 -12.271 1.00 0.40 H new ATOM 0 HD21 ASN A 56 -1.154 -0.885 -14.873 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -2.718 -0.196 -14.428 1.00 1.19 H new ATOM 852 N GLN A 57 -4.182 0.290 -9.274 1.00 0.25 N ATOM 853 CA GLN A 57 -5.028 1.234 -8.557 1.00 0.24 C ATOM 854 C GLN A 57 -4.453 1.511 -7.172 1.00 0.20 C ATOM 855 O GLN A 57 -4.601 2.611 -6.640 1.00 0.19 O ATOM 856 CB GLN A 57 -6.454 0.691 -8.438 1.00 0.27 C ATOM 857 CG GLN A 57 -7.423 1.659 -7.778 1.00 0.85 C ATOM 858 CD GLN A 57 -8.013 1.112 -6.493 1.00 1.10 C ATOM 859 OE1 GLN A 57 -7.456 1.299 -5.413 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.148 0.433 -6.607 1.00 1.57 N ATOM 0 H GLN A 57 -4.559 -0.656 -9.337 1.00 0.25 H new ATOM 0 HA GLN A 57 -5.058 2.168 -9.118 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.823 0.443 -9.433 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.434 -0.236 -7.865 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.907 2.595 -7.566 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -8.230 1.890 -8.474 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -9.574 0.303 -7.524 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -9.594 0.042 -5.777 1.00 1.57 H new ATOM 869 N LEU A 58 -3.803 0.505 -6.588 1.00 0.19 N ATOM 870 CA LEU A 58 -3.193 0.658 -5.270 1.00 0.17 C ATOM 871 C LEU A 58 -2.033 1.648 -5.336 1.00 0.17 C ATOM 872 O LEU A 58 -2.011 2.633 -4.593 1.00 0.18 O ATOM 873 CB LEU A 58 -2.696 -0.703 -4.733 1.00 0.19 C ATOM 874 CG LEU A 58 -2.692 -0.888 -3.197 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.559 -1.814 -2.762 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.567 0.447 -2.479 1.00 0.20 C ATOM 0 H LEU A 58 -3.686 -0.419 -7.004 1.00 0.19 H new ATOM 0 HA LEU A 58 -3.951 1.043 -4.587 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.316 -1.487 -5.168 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.681 -0.861 -5.097 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.645 -1.341 -2.924 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.578 -1.928 -1.678 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.686 -2.789 -3.232 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.603 -1.387 -3.065 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.567 0.282 -1.402 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.636 0.932 -2.772 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.408 1.085 -2.749 1.00 0.20 H new ATOM 888 N ILE A 59 -1.084 1.412 -6.240 1.00 0.19 N ATOM 889 CA ILE A 59 0.060 2.295 -6.361 1.00 0.20 C ATOM 890 C ILE A 59 -0.397 3.644 -6.908 1.00 0.18 C ATOM 891 O ILE A 59 0.128 4.689 -6.530 1.00 0.16 O ATOM 892 CB ILE A 59 1.143 1.712 -7.292 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.340 0.220 -7.013 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.447 2.467 -7.111 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.443 -0.619 -8.267 1.00 0.38 C ATOM 0 H ILE A 59 -1.089 0.625 -6.889 1.00 0.19 H new ATOM 0 HA ILE A 59 0.496 2.411 -5.369 1.00 0.20 H new ATOM 0 HB ILE A 59 0.816 1.825 -8.326 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.245 0.086 -6.420 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.507 -0.142 -6.410 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.205 2.048 -7.773 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.295 3.519 -7.354 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.779 2.378 -6.077 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.582 -1.665 -7.994 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.529 -0.514 -8.851 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.293 -0.283 -8.861 1.00 0.38 H new ATOM 907 N ASN A 60 -1.381 3.606 -7.816 1.00 0.20 N ATOM 908 CA ASN A 60 -1.935 4.826 -8.398 1.00 0.20 C ATOM 909 C ASN A 60 -2.492 5.707 -7.299 1.00 0.17 C ATOM 910 O ASN A 60 -2.263 6.917 -7.276 1.00 0.18 O ATOM 911 CB ASN A 60 -3.032 4.503 -9.407 1.00 0.22 C ATOM 912 CG ASN A 60 -2.498 4.342 -10.818 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.359 3.921 -11.019 1.00 0.81 O ATOM 914 ND2 ASN A 60 -3.323 4.676 -11.805 1.00 1.05 N ATOM 0 H ASN A 60 -1.806 2.745 -8.160 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.136 5.352 -8.920 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.538 3.585 -9.107 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.778 5.297 -9.393 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -3.020 4.588 -12.775 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -4.259 5.021 -11.593 1.00 1.05 H new ATOM 921 N HIS A 61 -3.239 5.092 -6.390 1.00 0.16 N ATOM 922 CA HIS A 61 -3.799 5.818 -5.269 1.00 0.16 C ATOM 923 C HIS A 61 -2.644 6.390 -4.461 1.00 0.13 C ATOM 924 O HIS A 61 -2.688 7.530 -3.978 1.00 0.12 O ATOM 925 CB HIS A 61 -4.671 4.882 -4.431 1.00 0.20 C ATOM 926 CG HIS A 61 -4.381 4.934 -2.975 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.310 4.287 -2.410 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.011 5.575 -1.971 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.292 4.525 -1.119 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.313 5.307 -0.823 1.00 0.30 N ATOM 0 H HIS A 61 -3.467 4.098 -6.411 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.437 6.635 -5.607 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.719 5.136 -4.592 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.533 3.860 -4.783 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -5.898 6.185 -2.055 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.564 4.145 -0.417 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.544 5.655 0.108 1.00 0.30 H new ATOM 939 N ILE A 62 -1.596 5.581 -4.342 1.00 0.14 N ATOM 940 CA ILE A 62 -0.395 5.984 -3.640 1.00 0.13 C ATOM 941 C ILE A 62 0.279 7.131 -4.380 1.00 0.11 C ATOM 942 O ILE A 62 0.995 7.932 -3.784 1.00 0.12 O ATOM 943 CB ILE A 62 0.587 4.809 -3.505 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.023 3.719 -2.625 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.920 5.283 -2.946 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.092 4.073 -1.154 1.00 0.75 C ATOM 0 H ILE A 62 -1.560 4.637 -4.728 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.681 6.311 -2.640 1.00 0.13 H new ATOM 0 HB ILE A 62 0.774 4.390 -4.494 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -1.030 3.501 -2.982 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.561 2.806 -2.740 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.600 4.436 -2.859 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.352 6.027 -3.616 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.765 5.727 -1.963 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.537 3.246 -0.601 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.913 4.261 -0.778 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.702 4.967 -1.023 1.00 0.75 H new ATOM 958 N GLU A 63 0.048 7.200 -5.690 1.00 0.12 N ATOM 959 CA GLU A 63 0.612 8.267 -6.503 1.00 0.13 C ATOM 960 C GLU A 63 -0.134 9.560 -6.223 1.00 0.12 C ATOM 961 O GLU A 63 0.469 10.629 -6.147 1.00 0.11 O ATOM 962 CB GLU A 63 0.550 7.918 -7.992 1.00 0.17 C ATOM 963 CG GLU A 63 1.554 6.856 -8.408 1.00 0.17 C ATOM 964 CD GLU A 63 1.439 6.483 -9.873 1.00 0.21 C ATOM 965 OE1 GLU A 63 2.090 7.146 -10.707 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.698 5.528 -10.187 1.00 0.70 O ATOM 0 H GLU A 63 -0.524 6.531 -6.206 1.00 0.12 H new ATOM 0 HA GLU A 63 1.662 8.393 -6.240 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.455 7.572 -8.234 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.725 8.821 -8.576 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.563 7.217 -8.208 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.408 5.965 -7.798 1.00 0.17 H new ATOM 973 N GLN A 64 -1.456 9.457 -6.076 1.00 0.14 N ATOM 974 CA GLN A 64 -2.268 10.621 -5.754 1.00 0.14 C ATOM 975 C GLN A 64 -1.752 11.205 -4.450 1.00 0.11 C ATOM 976 O GLN A 64 -1.505 12.411 -4.333 1.00 0.10 O ATOM 977 CB GLN A 64 -3.744 10.235 -5.620 1.00 0.18 C ATOM 978 CG GLN A 64 -4.323 9.609 -6.879 1.00 0.91 C ATOM 979 CD GLN A 64 -5.808 9.329 -6.761 1.00 1.57 C ATOM 980 OE1 GLN A 64 -6.216 8.250 -6.331 1.00 2.40 O ATOM 981 NE2 GLN A 64 -6.627 10.300 -7.148 1.00 2.11 N ATOM 0 H GLN A 64 -1.979 8.587 -6.175 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.195 11.358 -6.554 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -3.855 9.535 -4.792 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -4.322 11.123 -5.366 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.149 10.275 -7.724 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -3.797 8.678 -7.092 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -6.246 11.179 -7.498 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -7.637 10.167 -7.095 1.00 2.11 H new ATOM 990 N PHE A 65 -1.580 10.334 -3.462 1.00 0.11 N ATOM 991 CA PHE A 65 -1.034 10.766 -2.193 1.00 0.11 C ATOM 992 C PHE A 65 0.352 11.357 -2.443 1.00 0.10 C ATOM 993 O PHE A 65 0.640 12.480 -2.055 1.00 0.12 O ATOM 994 CB PHE A 65 -0.942 9.598 -1.200 1.00 0.14 C ATOM 995 CG PHE A 65 0.407 9.486 -0.556 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.874 10.495 0.259 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.187 8.350 -0.734 1.00 0.14 C ATOM 998 CE1 PHE A 65 2.094 10.382 0.882 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.403 8.230 -0.105 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.930 9.311 0.557 1.00 0.16 C ATOM 0 H PHE A 65 -1.808 9.341 -3.518 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.692 11.516 -1.754 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.699 9.725 -0.426 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.170 8.667 -1.719 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.276 11.382 0.409 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.834 7.554 -1.373 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.403 11.113 1.615 1.00 0.18 H new ATOM 0 HE2 PHE A 65 2.940 7.293 -0.131 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.977 9.333 0.823 1.00 0.16 H new ATOM 1010 N LEU A 66 1.213 10.579 -3.097 1.00 0.09 N ATOM 1011 CA LEU A 66 2.563 11.031 -3.391 1.00 0.10 C ATOM 1012 C LEU A 66 2.517 12.336 -4.172 1.00 0.11 C ATOM 1013 O LEU A 66 3.513 13.051 -4.271 1.00 0.17 O ATOM 1014 CB LEU A 66 3.354 9.949 -4.134 1.00 0.11 C ATOM 1015 CG LEU A 66 3.869 8.809 -3.241 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.556 7.742 -4.073 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.822 9.340 -2.172 1.00 0.08 C ATOM 0 H LEU A 66 0.998 9.639 -3.430 1.00 0.09 H new ATOM 0 HA LEU A 66 3.085 11.219 -2.453 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.721 9.525 -4.914 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.204 10.416 -4.632 1.00 0.11 H new ATOM 0 HG LEU A 66 3.009 8.361 -2.743 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.913 6.945 -3.420 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.849 7.332 -4.794 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.401 8.182 -4.603 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.172 8.513 -1.554 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.675 9.821 -2.651 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.300 10.065 -1.547 1.00 0.08 H new ATOM 1029 N ASP A 67 1.353 12.637 -4.740 1.00 0.09 N ATOM 1030 CA ASP A 67 1.175 13.887 -5.453 1.00 0.10 C ATOM 1031 C ASP A 67 0.989 14.991 -4.421 1.00 0.11 C ATOM 1032 O ASP A 67 1.484 16.105 -4.584 1.00 0.13 O ATOM 1033 CB ASP A 67 -0.023 13.826 -6.403 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.146 15.069 -7.262 1.00 0.12 C ATOM 1035 OD1 ASP A 67 0.593 15.175 -8.263 1.00 0.18 O ATOM 1036 OD2 ASP A 67 -0.985 15.936 -6.934 1.00 0.17 O ATOM 0 H ASP A 67 0.529 12.036 -4.718 1.00 0.09 H new ATOM 0 HA ASP A 67 2.053 14.085 -6.068 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.072 12.951 -7.047 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.937 13.697 -5.823 1.00 0.11 H new ATOM 1041 N THR A 68 0.261 14.659 -3.346 1.00 0.10 N ATOM 1042 CA THR A 68 0.045 15.604 -2.249 1.00 0.12 C ATOM 1043 C THR A 68 1.359 15.863 -1.514 1.00 0.13 C ATOM 1044 O THR A 68 2.410 15.352 -1.904 1.00 0.13 O ATOM 1045 CB THR A 68 -1.017 15.104 -1.234 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.615 16.223 -0.568 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.420 14.166 -0.188 1.00 0.13 C ATOM 0 H THR A 68 -0.184 13.750 -3.216 1.00 0.10 H new ATOM 0 HA THR A 68 -0.328 16.526 -2.695 1.00 0.12 H new ATOM 0 HB THR A 68 -1.766 14.548 -1.798 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.286 15.903 0.071 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.202 13.843 0.499 1.00 0.13 H new ATOM 0 HG22 THR A 68 0.010 13.295 -0.683 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.358 14.689 0.368 1.00 0.13 H new ATOM 1055 N ASN A 69 1.294 16.657 -0.452 1.00 0.15 N ATOM 1056 CA ASN A 69 2.482 16.980 0.333 1.00 0.17 C ATOM 1057 C ASN A 69 2.395 16.396 1.743 1.00 0.18 C ATOM 1058 O ASN A 69 3.288 16.598 2.566 1.00 0.20 O ATOM 1059 CB ASN A 69 2.650 18.495 0.404 1.00 0.19 C ATOM 1060 CG ASN A 69 3.076 19.099 -0.921 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.741 20.242 -1.230 1.00 0.91 O ATOM 1062 ND2 ASN A 69 3.820 18.333 -1.715 1.00 1.16 N ATOM 0 H ASN A 69 0.434 17.089 -0.114 1.00 0.15 H new ATOM 0 HA ASN A 69 3.348 16.536 -0.158 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.709 18.947 0.719 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.391 18.739 1.165 1.00 0.19 H new ATOM 0 HD21 ASN A 69 4.135 18.688 -2.618 1.00 1.16 H new ATOM 0 HD22 ASN A 69 4.076 17.390 -1.421 1.00 1.16 H new ATOM 1069 N GLU A 70 1.314 15.676 2.011 1.00 0.17 N ATOM 1070 CA GLU A 70 1.092 15.062 3.319 1.00 0.19 C ATOM 1071 C GLU A 70 1.884 13.763 3.459 1.00 0.17 C ATOM 1072 O GLU A 70 2.111 13.061 2.475 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.400 14.771 3.505 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.311 15.831 2.906 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.535 17.004 3.841 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -2.360 16.875 4.769 1.00 0.73 O ATOM 1077 OE2 GLU A 70 -0.885 18.053 3.644 1.00 0.76 O ATOM 0 H GLU A 70 0.570 15.500 1.336 1.00 0.17 H new ATOM 0 HA GLU A 70 1.433 15.759 4.085 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.632 13.807 3.052 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.613 14.682 4.570 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.878 16.192 1.973 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.272 15.381 2.658 1.00 0.22 H new ATOM 1084 N THR A 71 2.307 13.446 4.686 1.00 0.12 N ATOM 1085 CA THR A 71 3.061 12.216 4.932 1.00 0.10 C ATOM 1086 C THR A 71 2.267 11.141 5.693 1.00 0.13 C ATOM 1087 O THR A 71 2.723 10.009 5.763 1.00 0.13 O ATOM 1088 CB THR A 71 4.377 12.465 5.678 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.140 13.238 6.862 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.376 13.176 4.781 1.00 0.11 C ATOM 0 H THR A 71 2.142 14.017 5.515 1.00 0.12 H new ATOM 0 HA THR A 71 3.274 11.842 3.931 1.00 0.10 H new ATOM 0 HB THR A 71 4.795 11.500 5.965 1.00 0.09 H new ATOM 0 HG1 THR A 71 4.988 13.388 7.330 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.303 13.343 5.330 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.579 12.562 3.904 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.964 14.134 4.465 1.00 0.11 H new ATOM 1098 N PRO A 72 1.108 11.443 6.321 1.00 0.17 N ATOM 1099 CA PRO A 72 0.327 10.404 6.996 1.00 0.23 C ATOM 1100 C PRO A 72 0.252 9.163 6.140 1.00 0.17 C ATOM 1101 O PRO A 72 0.248 8.029 6.619 1.00 0.17 O ATOM 1102 CB PRO A 72 -1.058 11.027 7.060 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.803 12.482 7.209 1.00 0.32 C ATOM 1104 CD PRO A 72 0.473 12.768 6.459 1.00 0.18 C ATOM 0 HA PRO A 72 0.745 10.114 7.960 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.631 10.815 6.157 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.631 10.636 7.901 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.630 13.065 6.805 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.705 12.754 8.260 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.273 13.218 5.487 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.111 13.462 7.006 1.00 0.18 H new ATOM 1112 N TYR A 73 0.188 9.431 4.854 1.00 0.16 N ATOM 1113 CA TYR A 73 0.074 8.424 3.832 1.00 0.16 C ATOM 1114 C TYR A 73 1.432 7.883 3.367 1.00 0.13 C ATOM 1115 O TYR A 73 1.469 6.866 2.697 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.719 9.021 2.675 1.00 0.18 C ATOM 1117 CG TYR A 73 -2.041 9.603 3.126 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.932 8.856 3.887 1.00 1.03 C ATOM 1119 CD2 TYR A 73 -2.398 10.901 2.781 1.00 0.96 C ATOM 1120 CE1 TYR A 73 -4.141 9.389 4.294 1.00 1.09 C ATOM 1121 CE2 TYR A 73 -3.605 11.439 3.183 1.00 0.96 C ATOM 1122 CZ TYR A 73 -4.468 10.664 3.969 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.673 11.214 4.342 1.00 0.50 O ATOM 0 H TYR A 73 0.215 10.381 4.485 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.446 7.559 4.244 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.127 9.800 2.195 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -0.900 8.250 1.926 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.676 7.844 4.165 1.00 1.03 H new ATOM 0 HD2 TYR A 73 -1.721 11.499 2.189 1.00 0.96 H new ATOM 0 HE1 TYR A 73 -4.827 8.788 4.873 1.00 1.09 H new ATOM 0 HE2 TYR A 73 -3.880 12.443 2.895 1.00 0.96 H new ATOM 0 HH TYR A 73 -5.725 12.138 4.019 1.00 0.50 H new ATOM 1133 N PHE A 74 2.543 8.561 3.681 1.00 0.11 N ATOM 1134 CA PHE A 74 3.855 8.069 3.241 1.00 0.10 C ATOM 1135 C PHE A 74 4.246 6.790 3.990 1.00 0.09 C ATOM 1136 O PHE A 74 4.728 5.828 3.380 1.00 0.08 O ATOM 1137 CB PHE A 74 4.935 9.187 3.271 1.00 0.11 C ATOM 1138 CG PHE A 74 5.803 9.357 4.501 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.259 9.079 5.748 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.129 9.743 4.439 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.013 9.189 6.896 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.891 9.853 5.589 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.461 9.762 6.701 1.00 0.17 C ATOM 0 H PHE A 74 2.563 9.426 4.221 1.00 0.11 H new ATOM 0 HA PHE A 74 3.782 7.783 2.192 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.600 9.021 2.423 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.427 10.136 3.097 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.226 8.771 5.819 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.576 9.962 3.481 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.633 8.900 7.865 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.949 10.034 5.474 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.054 10.067 7.550 1.00 0.17 H new ATOM 1153 N MET A 75 3.999 6.746 5.291 1.00 0.09 N ATOM 1154 CA MET A 75 4.284 5.542 6.060 1.00 0.09 C ATOM 1155 C MET A 75 3.198 4.537 5.741 1.00 0.09 C ATOM 1156 O MET A 75 3.440 3.337 5.609 1.00 0.11 O ATOM 1157 CB MET A 75 4.328 5.826 7.566 1.00 0.14 C ATOM 1158 CG MET A 75 3.760 7.178 7.966 1.00 0.30 C ATOM 1159 SD MET A 75 3.203 7.221 9.681 1.00 0.52 S ATOM 1160 CE MET A 75 4.751 6.974 10.548 1.00 1.81 C ATOM 0 H MET A 75 3.607 7.518 5.831 1.00 0.09 H new ATOM 0 HA MET A 75 5.267 5.156 5.789 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.775 5.044 8.087 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.362 5.765 7.905 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.520 7.945 7.816 1.00 0.30 H new ATOM 0 HG3 MET A 75 2.924 7.424 7.311 1.00 0.30 H new ATOM 0 HE1 MET A 75 4.576 7.012 11.623 1.00 1.81 H new ATOM 0 HE2 MET A 75 5.166 6.002 10.282 1.00 1.81 H new ATOM 0 HE3 MET A 75 5.454 7.758 10.267 1.00 1.81 H new ATOM 1170 N LYS A 76 1.992 5.060 5.603 1.00 0.09 N ATOM 1171 CA LYS A 76 0.847 4.253 5.250 1.00 0.10 C ATOM 1172 C LYS A 76 1.043 3.738 3.828 1.00 0.10 C ATOM 1173 O LYS A 76 0.498 2.703 3.444 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.420 5.088 5.368 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.698 4.315 5.151 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.536 4.956 4.065 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.851 4.860 2.722 1.00 0.33 C ATOM 1178 NZ LYS A 76 -0.857 5.938 2.516 1.00 0.96 N ATOM 0 H LYS A 76 1.784 6.050 5.732 1.00 0.09 H new ATOM 0 HA LYS A 76 0.749 3.403 5.925 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.449 5.544 6.357 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.374 5.901 4.643 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.464 3.286 4.877 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.267 4.276 6.080 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.509 4.467 4.016 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.717 6.002 4.311 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -1.356 3.892 2.638 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -2.600 4.904 1.931 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -0.539 5.932 1.526 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -1.291 6.857 2.735 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -0.041 5.783 3.142 1.00 0.96 H new ATOM 1192 N SER A 77 1.837 4.482 3.047 1.00 0.09 N ATOM 1193 CA SER A 77 2.149 4.078 1.685 1.00 0.09 C ATOM 1194 C SER A 77 3.009 2.850 1.781 1.00 0.08 C ATOM 1195 O SER A 77 2.779 1.854 1.101 1.00 0.09 O ATOM 1196 CB SER A 77 2.908 5.163 0.915 1.00 0.10 C ATOM 1197 OG SER A 77 4.307 5.010 1.064 1.00 0.10 O ATOM 0 H SER A 77 2.268 5.359 3.339 1.00 0.09 H new ATOM 0 HA SER A 77 1.221 3.895 1.144 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.644 5.115 -0.142 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.606 6.147 1.275 1.00 0.10 H new ATOM 0 HG SER A 77 4.628 5.606 1.772 1.00 0.10 H new ATOM 1203 N ILE A 78 4.019 2.940 2.642 1.00 0.09 N ATOM 1204 CA ILE A 78 4.892 1.813 2.879 1.00 0.09 C ATOM 1205 C ILE A 78 4.025 0.609 3.208 1.00 0.11 C ATOM 1206 O ILE A 78 4.270 -0.498 2.739 1.00 0.12 O ATOM 1207 CB ILE A 78 5.890 2.095 4.033 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.307 1.750 3.597 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.525 1.318 5.290 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.784 2.598 2.448 1.00 0.13 C ATOM 0 H ILE A 78 4.245 3.777 3.179 1.00 0.09 H new ATOM 0 HA ILE A 78 5.488 1.623 1.986 1.00 0.09 H new ATOM 0 HB ILE A 78 5.835 3.158 4.269 1.00 0.08 H new ATOM 0 HG12 ILE A 78 7.984 1.877 4.442 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.349 0.699 3.310 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.246 1.540 6.077 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.527 1.607 5.620 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.541 0.250 5.075 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.800 2.308 2.179 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.126 2.453 1.591 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.771 3.648 2.741 1.00 0.13 H new ATOM 1222 N ASP A 79 2.984 0.862 3.998 1.00 0.11 N ATOM 1223 CA ASP A 79 2.047 -0.178 4.395 1.00 0.13 C ATOM 1224 C ASP A 79 1.318 -0.751 3.183 1.00 0.13 C ATOM 1225 O ASP A 79 1.105 -1.959 3.102 1.00 0.16 O ATOM 1226 CB ASP A 79 1.044 0.374 5.406 1.00 0.13 C ATOM 1227 CG ASP A 79 1.515 0.213 6.838 1.00 0.15 C ATOM 1228 OD1 ASP A 79 2.201 1.124 7.344 1.00 0.69 O ATOM 1229 OD2 ASP A 79 1.197 -0.827 7.453 1.00 0.68 O ATOM 0 H ASP A 79 2.770 1.785 4.376 1.00 0.11 H new ATOM 0 HA ASP A 79 2.612 -0.985 4.862 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.870 1.430 5.201 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.089 -0.136 5.281 1.00 0.13 H new ATOM 1234 N CYS A 80 0.920 0.114 2.250 1.00 0.14 N ATOM 1235 CA CYS A 80 0.242 -0.353 1.043 1.00 0.16 C ATOM 1236 C CYS A 80 1.182 -1.286 0.298 1.00 0.14 C ATOM 1237 O CYS A 80 0.793 -2.357 -0.173 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.140 0.806 0.131 1.00 0.23 C ATOM 1239 SG CYS A 80 1.123 1.200 -1.103 1.00 0.65 S ATOM 0 H CYS A 80 1.052 1.124 2.305 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.675 -0.867 1.333 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -1.072 0.564 -0.379 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.330 1.690 0.740 1.00 0.23 H new ATOM 0 HG CYS A 80 2.159 1.718 -0.513 1.00 0.65 H new ATOM 1245 N ILE A 81 2.434 -0.847 0.185 1.00 0.16 N ATOM 1246 CA ILE A 81 3.453 -1.640 -0.464 1.00 0.17 C ATOM 1247 C ILE A 81 3.477 -2.999 0.216 1.00 0.17 C ATOM 1248 O ILE A 81 3.521 -4.046 -0.429 1.00 0.19 O ATOM 1249 CB ILE A 81 4.842 -0.979 -0.331 1.00 0.18 C ATOM 1250 CG1 ILE A 81 5.038 0.097 -1.399 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.943 -2.023 -0.406 1.00 0.20 C ATOM 1252 CD1 ILE A 81 5.404 1.449 -0.826 1.00 0.32 C ATOM 0 H ILE A 81 2.758 0.054 0.537 1.00 0.16 H new ATOM 0 HA ILE A 81 3.226 -1.729 -1.526 1.00 0.17 H new ATOM 0 HB ILE A 81 4.897 -0.497 0.645 1.00 0.18 H new ATOM 0 HG12 ILE A 81 5.821 -0.222 -2.087 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.121 0.193 -1.981 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.913 -1.536 -0.310 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.817 -2.743 0.402 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.890 -2.540 -1.364 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.528 2.166 -1.637 1.00 0.32 H new ATOM 0 HD12 ILE A 81 4.611 1.789 -0.160 1.00 0.32 H new ATOM 0 HD13 ILE A 81 6.337 1.367 -0.268 1.00 0.32 H new ATOM 1264 N ARG A 82 3.438 -2.947 1.548 1.00 0.18 N ATOM 1265 CA ARG A 82 3.424 -4.136 2.384 1.00 0.20 C ATOM 1266 C ARG A 82 2.208 -4.988 2.042 1.00 0.26 C ATOM 1267 O ARG A 82 2.265 -6.217 2.075 1.00 0.36 O ATOM 1268 CB ARG A 82 3.372 -3.733 3.863 1.00 0.18 C ATOM 1269 CG ARG A 82 4.715 -3.741 4.572 1.00 0.18 C ATOM 1270 CD ARG A 82 5.492 -2.459 4.327 1.00 0.16 C ATOM 1271 NE ARG A 82 6.689 -2.378 5.162 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.776 -3.117 4.970 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.820 -3.996 3.980 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.822 -2.979 5.775 1.00 0.85 N ATOM 0 H ARG A 82 3.415 -2.073 2.074 1.00 0.18 H new ATOM 0 HA ARG A 82 4.332 -4.712 2.202 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.943 -2.734 3.938 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.697 -4.410 4.386 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.560 -3.872 5.643 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.302 -4.593 4.228 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.778 -2.403 3.277 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.850 -1.601 4.529 1.00 0.16 H new ATOM 0 HE ARG A 82 6.690 -1.715 5.937 1.00 0.33 H new ATOM 0 HH11 ARG A 82 7.017 -4.108 3.361 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.657 -4.561 3.837 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.791 -2.306 6.541 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.657 -3.546 5.628 1.00 0.85 H new ATOM 1288 N ALA A 83 1.106 -4.313 1.715 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.129 -4.991 1.355 1.00 0.27 C ATOM 1290 C ALA A 83 0.087 -5.869 0.135 1.00 0.31 C ATOM 1291 O ALA A 83 -0.282 -7.044 0.130 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.234 -3.981 1.082 1.00 0.25 C ATOM 0 H ALA A 83 1.048 -3.295 1.693 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.431 -5.620 2.193 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.150 -4.507 0.814 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.408 -3.382 1.976 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -0.937 -3.329 0.260 1.00 0.25 H new ATOM 1298 N PHE A 84 0.687 -5.290 -0.900 1.00 0.30 N ATOM 1299 CA PHE A 84 0.956 -6.035 -2.122 1.00 0.40 C ATOM 1300 C PHE A 84 2.147 -6.950 -1.951 1.00 0.36 C ATOM 1301 O PHE A 84 2.350 -7.872 -2.739 1.00 0.36 O ATOM 1302 CB PHE A 84 1.205 -5.104 -3.303 1.00 0.65 C ATOM 1303 CG PHE A 84 0.280 -5.394 -4.429 1.00 1.18 C ATOM 1304 CD1 PHE A 84 0.602 -6.337 -5.382 1.00 2.05 C ATOM 1305 CD2 PHE A 84 -0.927 -4.749 -4.509 1.00 2.00 C ATOM 1306 CE1 PHE A 84 -0.281 -6.631 -6.397 1.00 3.01 C ATOM 1307 CE2 PHE A 84 -1.805 -5.035 -5.521 1.00 3.01 C ATOM 1308 CZ PHE A 84 -1.486 -5.979 -6.464 1.00 3.37 C ATOM 0 H PHE A 84 0.993 -4.317 -0.917 1.00 0.30 H new ATOM 0 HA PHE A 84 0.069 -6.634 -2.327 1.00 0.40 H new ATOM 0 HB2 PHE A 84 1.079 -4.069 -2.985 1.00 0.65 H new ATOM 0 HB3 PHE A 84 2.236 -5.211 -3.641 1.00 0.65 H new ATOM 0 HD1 PHE A 84 1.552 -6.848 -5.332 1.00 2.05 H new ATOM 0 HD2 PHE A 84 -1.188 -4.009 -3.767 1.00 2.00 H new ATOM 0 HE1 PHE A 84 -0.025 -7.373 -7.139 1.00 3.01 H new ATOM 0 HE2 PHE A 84 -2.751 -4.516 -5.577 1.00 3.01 H new ATOM 0 HZ PHE A 84 -2.182 -6.208 -7.257 1.00 3.37 H new ATOM 1318 N ARG A 85 2.934 -6.692 -0.923 1.00 0.39 N ATOM 1319 CA ARG A 85 4.112 -7.493 -0.676 1.00 0.43 C ATOM 1320 C ARG A 85 3.742 -8.912 -0.252 1.00 0.38 C ATOM 1321 O ARG A 85 4.091 -9.886 -0.922 1.00 0.37 O ATOM 1322 CB ARG A 85 4.994 -6.843 0.389 1.00 0.56 C ATOM 1323 CG ARG A 85 5.977 -5.827 -0.169 1.00 0.88 C ATOM 1324 CD ARG A 85 6.765 -5.155 0.943 1.00 0.72 C ATOM 1325 NE ARG A 85 7.396 -6.129 1.831 1.00 1.07 N ATOM 1326 CZ ARG A 85 8.688 -6.117 2.143 1.00 1.14 C ATOM 1327 NH1 ARG A 85 9.491 -5.193 1.632 1.00 1.31 N ATOM 1328 NH2 ARG A 85 9.181 -7.031 2.967 1.00 1.75 N ATOM 0 H ARG A 85 2.779 -5.940 -0.252 1.00 0.39 H new ATOM 0 HA ARG A 85 4.670 -7.551 -1.611 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.357 -6.353 1.126 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.548 -7.621 0.914 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.663 -6.321 -0.857 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.438 -5.073 -0.743 1.00 0.88 H new ATOM 0 HD2 ARG A 85 7.530 -4.512 0.508 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.101 -4.513 1.522 1.00 0.72 H new ATOM 0 HE ARG A 85 6.811 -6.861 2.235 1.00 1.07 H new ATOM 0 HH11 ARG A 85 9.118 -4.488 0.997 1.00 1.31 H new ATOM 0 HH12 ARG A 85 10.482 -5.188 1.874 1.00 1.31 H new ATOM 0 HH21 ARG A 85 8.569 -7.745 3.362 1.00 1.75 H new ATOM 0 HH22 ARG A 85 10.173 -7.021 3.206 1.00 1.75 H new ATOM 1342 N GLU A 86 3.030 -9.020 0.867 1.00 0.38 N ATOM 1343 CA GLU A 86 2.622 -10.317 1.398 1.00 0.36 C ATOM 1344 C GLU A 86 1.603 -11.004 0.492 1.00 0.31 C ATOM 1345 O GLU A 86 1.685 -12.209 0.258 1.00 0.44 O ATOM 1346 CB GLU A 86 2.044 -10.151 2.803 1.00 0.41 C ATOM 1347 CG GLU A 86 3.001 -9.486 3.779 1.00 1.13 C ATOM 1348 CD GLU A 86 2.422 -9.365 5.174 1.00 1.53 C ATOM 1349 OE1 GLU A 86 1.631 -8.426 5.409 1.00 1.89 O ATOM 1350 OE2 GLU A 86 2.758 -10.207 6.034 1.00 1.91 O ATOM 0 H GLU A 86 2.723 -8.223 1.424 1.00 0.38 H new ATOM 0 HA GLU A 86 3.508 -10.950 1.442 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.130 -9.560 2.744 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.765 -11.131 3.191 1.00 0.41 H new ATOM 0 HG2 GLU A 86 3.926 -10.060 3.823 1.00 1.13 H new ATOM 0 HG3 GLU A 86 3.259 -8.493 3.410 1.00 1.13 H new ATOM 1357 N GLU A 87 0.638 -10.237 -0.011 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.395 -10.789 -0.884 1.00 0.15 C ATOM 1359 C GLU A 87 0.208 -11.418 -2.134 1.00 0.14 C ATOM 1360 O GLU A 87 -0.299 -12.419 -2.632 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.402 -9.708 -1.284 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.450 -9.419 -0.218 1.00 0.24 C ATOM 1363 CD GLU A 87 -3.219 -10.658 0.198 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -4.245 -10.965 -0.445 1.00 1.83 O ATOM 1365 OE2 GLU A 87 -2.794 -11.322 1.166 1.00 1.06 O ATOM 0 H GLU A 87 0.550 -9.237 0.170 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.911 -11.568 -0.322 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.863 -8.788 -1.509 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -1.905 -10.015 -2.201 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -1.963 -8.988 0.657 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.149 -8.672 -0.594 1.00 0.24 H new ATOM 1372 N ALA A 88 1.291 -10.837 -2.637 1.00 0.18 N ATOM 1373 CA ALA A 88 1.935 -11.355 -3.838 1.00 0.17 C ATOM 1374 C ALA A 88 2.545 -12.728 -3.596 1.00 0.17 C ATOM 1375 O ALA A 88 2.486 -13.598 -4.466 1.00 0.18 O ATOM 1376 CB ALA A 88 2.975 -10.378 -4.352 1.00 0.19 C ATOM 0 H ALA A 88 1.739 -10.013 -2.236 1.00 0.18 H new ATOM 0 HA ALA A 88 1.168 -11.471 -4.604 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.444 -10.784 -5.249 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.496 -9.429 -4.591 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.734 -10.218 -3.586 1.00 0.19 H new ATOM 1382 N ILE A 89 3.132 -12.924 -2.420 1.00 0.20 N ATOM 1383 CA ILE A 89 3.726 -14.211 -2.086 1.00 0.23 C ATOM 1384 C ILE A 89 2.662 -15.299 -2.184 1.00 0.24 C ATOM 1385 O ILE A 89 2.946 -16.440 -2.550 1.00 0.31 O ATOM 1386 CB ILE A 89 4.352 -14.200 -0.665 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.684 -14.961 -0.659 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.397 -14.788 0.370 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.563 -16.424 -1.029 1.00 1.52 C ATOM 0 H ILE A 89 3.208 -12.216 -1.690 1.00 0.20 H new ATOM 0 HA ILE A 89 4.528 -14.414 -2.796 1.00 0.23 H new ATOM 0 HB ILE A 89 4.540 -13.161 -0.393 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.369 -14.477 -1.355 1.00 0.74 H new ATOM 0 HG13 ILE A 89 6.129 -14.884 0.333 1.00 0.74 H new ATOM 0 HG21 ILE A 89 3.867 -14.765 1.353 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.479 -14.201 0.393 1.00 0.60 H new ATOM 0 HG23 ILE A 89 3.162 -15.819 0.104 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.548 -16.889 -1.001 1.00 1.52 H new ATOM 0 HD12 ILE A 89 4.905 -16.925 -0.320 1.00 1.52 H new ATOM 0 HD13 ILE A 89 5.149 -16.512 -2.033 1.00 1.52 H new ATOM 1401 N LYS A 90 1.429 -14.922 -1.857 1.00 0.24 N ATOM 1402 CA LYS A 90 0.300 -15.838 -1.906 1.00 0.29 C ATOM 1403 C LYS A 90 -0.325 -15.857 -3.300 1.00 0.30 C ATOM 1404 O LYS A 90 -0.879 -16.866 -3.733 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.752 -15.436 -0.868 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.204 -15.329 0.548 1.00 0.33 C ATOM 1407 CD LYS A 90 0.299 -16.668 1.065 1.00 0.66 C ATOM 1408 CE LYS A 90 -0.837 -17.660 1.260 1.00 1.74 C ATOM 1409 NZ LYS A 90 -1.823 -17.184 2.271 1.00 2.42 N ATOM 0 H LYS A 90 1.188 -13.979 -1.553 1.00 0.24 H new ATOM 0 HA LYS A 90 0.664 -16.840 -1.677 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.184 -14.477 -1.154 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.561 -16.167 -0.881 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.609 -14.603 0.569 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.983 -14.953 1.211 1.00 0.33 H new ATOM 0 HD2 LYS A 90 1.025 -17.079 0.363 1.00 0.66 H new ATOM 0 HD3 LYS A 90 0.819 -16.520 2.011 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.343 -17.824 0.309 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -0.430 -18.621 1.574 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -2.420 -17.979 2.575 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 -1.318 -16.796 3.093 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 -2.421 -16.443 1.851 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.223 -14.727 -3.999 1.00 0.18 N ATOM 1424 CA PHE A 91 -0.781 -14.593 -5.341 1.00 0.19 C ATOM 1425 C PHE A 91 0.212 -15.032 -6.416 1.00 0.20 C ATOM 1426 O PHE A 91 0.001 -14.790 -7.605 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.261 -13.161 -5.573 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.709 -12.992 -5.215 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -3.090 -12.684 -3.919 1.00 0.73 C ATOM 1430 CD2 PHE A 91 -3.692 -13.165 -6.175 1.00 0.83 C ATOM 1431 CE1 PHE A 91 -4.425 -12.547 -3.590 1.00 0.74 C ATOM 1432 CE2 PHE A 91 -5.028 -13.033 -5.852 1.00 0.90 C ATOM 1433 CZ PHE A 91 -5.394 -12.723 -4.558 1.00 0.43 C ATOM 0 H PHE A 91 0.244 -13.888 -3.654 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.640 -15.260 -5.418 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.657 -12.475 -4.979 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.112 -12.893 -6.619 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -2.336 -12.550 -3.158 1.00 0.73 H new ATOM 0 HD2 PHE A 91 -3.410 -13.406 -7.189 1.00 0.83 H new ATOM 0 HE1 PHE A 91 -4.710 -12.303 -2.577 1.00 0.74 H new ATOM 0 HE2 PHE A 91 -5.785 -13.172 -6.610 1.00 0.90 H new ATOM 0 HZ PHE A 91 -6.438 -12.618 -4.302 1.00 0.43 H new ATOM 1443 N SER A 92 1.286 -15.690 -5.984 1.00 0.20 N ATOM 1444 CA SER A 92 2.312 -16.197 -6.895 1.00 0.23 C ATOM 1445 C SER A 92 2.725 -15.159 -7.937 1.00 0.27 C ATOM 1446 O SER A 92 2.825 -15.468 -9.126 1.00 0.61 O ATOM 1447 CB SER A 92 1.809 -17.460 -7.596 1.00 0.24 C ATOM 1448 OG SER A 92 1.503 -18.476 -6.658 1.00 0.25 O ATOM 0 H SER A 92 1.470 -15.886 -5.000 1.00 0.20 H new ATOM 0 HA SER A 92 3.192 -16.429 -6.295 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.922 -17.225 -8.184 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.567 -17.820 -8.292 1.00 0.24 H new ATOM 0 HG SER A 92 1.182 -19.272 -7.131 1.00 0.25 H new ATOM 1454 N GLU A 93 2.967 -13.933 -7.491 1.00 0.20 N ATOM 1455 CA GLU A 93 3.383 -12.863 -8.392 1.00 0.18 C ATOM 1456 C GLU A 93 4.660 -12.203 -7.888 1.00 0.18 C ATOM 1457 O GLU A 93 4.620 -11.297 -7.055 1.00 0.19 O ATOM 1458 CB GLU A 93 2.272 -11.824 -8.547 1.00 0.19 C ATOM 1459 CG GLU A 93 1.114 -12.301 -9.410 1.00 0.27 C ATOM 1460 CD GLU A 93 1.530 -12.593 -10.838 1.00 0.74 C ATOM 1461 OE1 GLU A 93 1.945 -13.740 -11.112 1.00 0.96 O ATOM 1462 OE2 GLU A 93 1.440 -11.678 -11.683 1.00 1.46 O ATOM 0 H GLU A 93 2.883 -13.654 -6.513 1.00 0.20 H new ATOM 0 HA GLU A 93 3.583 -13.301 -9.370 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.894 -11.557 -7.560 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.691 -10.917 -8.983 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.685 -13.201 -8.970 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.331 -11.543 -9.412 1.00 0.27 H new ATOM 1469 N GLU A 94 5.795 -12.673 -8.398 1.00 0.21 N ATOM 1470 CA GLU A 94 7.095 -12.144 -8.004 1.00 0.24 C ATOM 1471 C GLU A 94 7.428 -10.870 -8.773 1.00 0.25 C ATOM 1472 O GLU A 94 7.934 -9.903 -8.200 1.00 0.31 O ATOM 1473 CB GLU A 94 8.181 -13.194 -8.241 1.00 0.28 C ATOM 1474 CG GLU A 94 8.139 -13.808 -9.631 1.00 0.33 C ATOM 1475 CD GLU A 94 9.032 -15.026 -9.758 1.00 0.92 C ATOM 1476 OE1 GLU A 94 8.608 -16.121 -9.329 1.00 1.46 O ATOM 1477 OE2 GLU A 94 10.156 -14.888 -10.284 1.00 1.53 O ATOM 0 H GLU A 94 5.839 -13.423 -9.088 1.00 0.21 H new ATOM 0 HA GLU A 94 7.053 -11.900 -6.943 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.158 -12.736 -8.084 1.00 0.28 H new ATOM 0 HB3 GLU A 94 8.077 -13.986 -7.499 1.00 0.28 H new ATOM 0 HG2 GLU A 94 7.113 -14.088 -9.869 1.00 0.33 H new ATOM 0 HG3 GLU A 94 8.444 -13.061 -10.364 1.00 0.33 H new ATOM 1484 N GLN A 95 7.145 -10.871 -10.071 1.00 0.25 N ATOM 1485 CA GLN A 95 7.423 -9.715 -10.914 1.00 0.28 C ATOM 1486 C GLN A 95 6.622 -8.501 -10.457 1.00 0.23 C ATOM 1487 O GLN A 95 7.089 -7.368 -10.557 1.00 0.20 O ATOM 1488 CB GLN A 95 7.114 -10.031 -12.380 1.00 0.33 C ATOM 1489 CG GLN A 95 5.653 -10.361 -12.642 1.00 0.73 C ATOM 1490 CD GLN A 95 5.372 -10.634 -14.107 1.00 0.78 C ATOM 1491 OE1 GLN A 95 6.236 -11.120 -14.835 1.00 1.54 O ATOM 1492 NE2 GLN A 95 4.160 -10.316 -14.546 1.00 1.03 N ATOM 0 H GLN A 95 6.723 -11.659 -10.562 1.00 0.25 H new ATOM 0 HA GLN A 95 8.483 -9.480 -10.822 1.00 0.28 H new ATOM 0 HB2 GLN A 95 7.400 -9.177 -12.994 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.730 -10.872 -12.698 1.00 0.33 H new ATOM 0 HG2 GLN A 95 5.370 -11.233 -12.053 1.00 0.73 H new ATOM 0 HG3 GLN A 95 5.031 -9.532 -12.304 1.00 0.73 H new ATOM 0 HE21 GLN A 95 3.475 -9.915 -13.906 1.00 1.03 H new ATOM 0 HE22 GLN A 95 3.914 -10.473 -15.523 1.00 1.03 H new ATOM 1501 N ARG A 96 5.416 -8.742 -9.956 1.00 0.25 N ATOM 1502 CA ARG A 96 4.562 -7.660 -9.481 1.00 0.22 C ATOM 1503 C ARG A 96 5.283 -6.835 -8.430 1.00 0.20 C ATOM 1504 O ARG A 96 5.216 -5.608 -8.433 1.00 0.26 O ATOM 1505 CB ARG A 96 3.266 -8.221 -8.890 1.00 0.25 C ATOM 1506 CG ARG A 96 1.996 -7.677 -9.529 1.00 0.95 C ATOM 1507 CD ARG A 96 1.705 -6.244 -9.108 1.00 0.63 C ATOM 1508 NE ARG A 96 2.708 -5.299 -9.599 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.419 -4.228 -10.332 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.170 -3.990 -10.707 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.385 -3.396 -10.701 1.00 2.99 N ATOM 0 H ARG A 96 5.009 -9.673 -9.868 1.00 0.25 H new ATOM 0 HA ARG A 96 4.320 -7.022 -10.331 1.00 0.22 H new ATOM 0 HB2 ARG A 96 3.274 -9.306 -8.993 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.243 -8.002 -7.822 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.090 -7.722 -10.614 1.00 0.95 H new ATOM 0 HG3 ARG A 96 1.153 -8.312 -9.255 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.723 -5.952 -9.480 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.662 -6.190 -8.020 1.00 0.63 H new ATOM 0 HE ARG A 96 3.686 -5.472 -9.365 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.425 -4.630 -10.433 1.00 2.57 H new ATOM 0 HH12 ARG A 96 0.954 -3.167 -11.269 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.349 -3.578 -10.422 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.163 -2.574 -11.263 1.00 2.99 H new ATOM 1525 N PHE A 97 5.984 -7.515 -7.537 1.00 0.27 N ATOM 1526 CA PHE A 97 6.704 -6.837 -6.476 1.00 0.31 C ATOM 1527 C PHE A 97 7.800 -5.947 -7.044 1.00 0.25 C ATOM 1528 O PHE A 97 7.777 -4.736 -6.845 1.00 0.22 O ATOM 1529 CB PHE A 97 7.286 -7.857 -5.489 1.00 0.45 C ATOM 1530 CG PHE A 97 7.910 -7.264 -4.246 1.00 0.48 C ATOM 1531 CD1 PHE A 97 7.734 -5.921 -3.956 1.00 1.29 C ATOM 1532 CD2 PHE A 97 8.669 -8.037 -3.375 1.00 0.94 C ATOM 1533 CE1 PHE A 97 8.296 -5.359 -2.826 1.00 1.39 C ATOM 1534 CE2 PHE A 97 9.235 -7.478 -2.245 1.00 0.92 C ATOM 1535 CZ PHE A 97 9.065 -6.208 -1.945 1.00 0.67 C ATOM 0 H PHE A 97 6.069 -8.531 -7.527 1.00 0.27 H new ATOM 0 HA PHE A 97 6.002 -6.200 -5.939 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.493 -8.541 -5.187 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.039 -8.451 -6.007 1.00 0.45 H new ATOM 0 HD1 PHE A 97 7.149 -5.305 -4.623 1.00 1.29 H new ATOM 0 HD2 PHE A 97 8.818 -9.086 -3.584 1.00 0.94 H new ATOM 0 HE1 PHE A 97 8.164 -4.310 -2.606 1.00 1.39 H new ATOM 0 HE2 PHE A 97 9.831 -8.098 -1.592 1.00 0.92 H new ATOM 0 HZ PHE A 97 9.499 -5.802 -1.043 1.00 0.67 H new ATOM 1545 N ASN A 98 8.750 -6.540 -7.759 1.00 0.28 N ATOM 1546 CA ASN A 98 9.841 -5.766 -8.338 1.00 0.26 C ATOM 1547 C ASN A 98 9.308 -4.720 -9.304 1.00 0.21 C ATOM 1548 O ASN A 98 9.988 -3.738 -9.605 1.00 0.21 O ATOM 1549 CB ASN A 98 10.846 -6.682 -9.046 1.00 0.34 C ATOM 1550 CG ASN A 98 10.240 -7.443 -10.210 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.510 -6.884 -11.026 1.00 1.03 O ATOM 1552 ND2 ASN A 98 10.545 -8.734 -10.290 1.00 1.22 N ATOM 0 H ASN A 98 8.787 -7.541 -7.950 1.00 0.28 H new ATOM 0 HA ASN A 98 10.356 -5.254 -7.525 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.682 -6.083 -9.407 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.250 -7.393 -8.326 1.00 0.34 H new ATOM 0 HD21 ASN A 98 10.169 -9.301 -11.050 1.00 1.22 H new ATOM 0 HD22 ASN A 98 11.155 -9.158 -9.591 1.00 1.22 H new ATOM 1559 N ASN A 99 8.084 -4.923 -9.781 1.00 0.18 N ATOM 1560 CA ASN A 99 7.484 -3.988 -10.712 1.00 0.20 C ATOM 1561 C ASN A 99 6.968 -2.750 -9.995 1.00 0.19 C ATOM 1562 O ASN A 99 7.338 -1.636 -10.354 1.00 0.24 O ATOM 1563 CB ASN A 99 6.353 -4.653 -11.500 1.00 0.22 C ATOM 1564 CG ASN A 99 5.848 -3.784 -12.637 1.00 0.63 C ATOM 1565 OD1 ASN A 99 4.674 -3.841 -13.002 1.00 1.41 O ATOM 1566 ND2 ASN A 99 6.736 -2.975 -13.207 1.00 1.14 N ATOM 0 H ASN A 99 7.497 -5.721 -9.538 1.00 0.18 H new ATOM 0 HA ASN A 99 8.260 -3.678 -11.412 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.704 -5.603 -11.902 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.528 -4.878 -10.825 1.00 0.22 H new ATOM 0 HD21 ASN A 99 6.454 -2.370 -13.978 1.00 1.14 H new ATOM 0 HD22 ASN A 99 7.700 -2.959 -12.873 1.00 1.14 H new ATOM 1573 N PHE A 100 6.135 -2.932 -8.972 1.00 0.18 N ATOM 1574 CA PHE A 100 5.599 -1.784 -8.253 1.00 0.23 C ATOM 1575 C PHE A 100 6.667 -1.171 -7.362 1.00 0.18 C ATOM 1576 O PHE A 100 6.556 -0.021 -6.959 1.00 0.21 O ATOM 1577 CB PHE A 100 4.337 -2.156 -7.452 1.00 0.38 C ATOM 1578 CG PHE A 100 4.579 -2.767 -6.095 1.00 1.36 C ATOM 1579 CD1 PHE A 100 4.943 -1.977 -5.017 1.00 1.99 C ATOM 1580 CD2 PHE A 100 4.415 -4.127 -5.896 1.00 2.09 C ATOM 1581 CE1 PHE A 100 5.146 -2.532 -3.769 1.00 2.95 C ATOM 1582 CE2 PHE A 100 4.611 -4.687 -4.648 1.00 3.08 C ATOM 1583 CZ PHE A 100 4.978 -3.890 -3.584 1.00 3.43 C ATOM 0 H PHE A 100 5.824 -3.841 -8.630 1.00 0.18 H new ATOM 0 HA PHE A 100 5.298 -1.035 -8.986 1.00 0.23 H new ATOM 0 HB2 PHE A 100 3.733 -1.258 -7.323 1.00 0.38 H new ATOM 0 HB3 PHE A 100 3.746 -2.855 -8.044 1.00 0.38 H new ATOM 0 HD1 PHE A 100 5.070 -0.913 -5.154 1.00 1.99 H new ATOM 0 HD2 PHE A 100 4.131 -4.758 -6.725 1.00 2.09 H new ATOM 0 HE1 PHE A 100 5.436 -1.905 -2.939 1.00 2.95 H new ATOM 0 HE2 PHE A 100 4.477 -5.749 -4.506 1.00 3.08 H new ATOM 0 HZ PHE A 100 5.134 -4.327 -2.609 1.00 3.43 H new ATOM 1593 N LEU A 101 7.712 -1.943 -7.088 1.00 0.18 N ATOM 1594 CA LEU A 101 8.818 -1.486 -6.257 1.00 0.21 C ATOM 1595 C LEU A 101 9.775 -0.643 -7.084 1.00 0.20 C ATOM 1596 O LEU A 101 10.162 0.456 -6.670 1.00 0.21 O ATOM 1597 CB LEU A 101 9.483 -2.712 -5.607 1.00 0.28 C ATOM 1598 CG LEU A 101 10.963 -2.631 -5.214 1.00 0.35 C ATOM 1599 CD1 LEU A 101 11.224 -3.621 -4.094 1.00 0.92 C ATOM 1600 CD2 LEU A 101 11.825 -2.949 -6.413 1.00 0.92 C ATOM 0 H LEU A 101 7.816 -2.897 -7.433 1.00 0.18 H new ATOM 0 HA LEU A 101 8.466 -0.840 -5.453 1.00 0.21 H new ATOM 0 HB2 LEU A 101 8.916 -2.957 -4.709 1.00 0.28 H new ATOM 0 HB3 LEU A 101 9.370 -3.551 -6.294 1.00 0.28 H new ATOM 0 HG LEU A 101 11.207 -1.625 -4.871 1.00 0.35 H new ATOM 0 HD11 LEU A 101 12.274 -3.574 -3.804 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.599 -3.373 -3.236 1.00 0.92 H new ATOM 0 HD13 LEU A 101 10.987 -4.628 -4.436 1.00 0.92 H new ATOM 0 HD21 LEU A 101 12.876 -2.891 -6.131 1.00 0.92 H new ATOM 0 HD22 LEU A 101 11.599 -3.955 -6.767 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.622 -2.231 -7.208 1.00 0.92 H new ATOM 1612 N LYS A 102 10.117 -1.121 -8.279 1.00 0.20 N ATOM 1613 CA LYS A 102 11.007 -0.362 -9.140 1.00 0.23 C ATOM 1614 C LYS A 102 10.231 0.753 -9.823 1.00 0.22 C ATOM 1615 O LYS A 102 10.815 1.733 -10.284 1.00 0.26 O ATOM 1616 CB LYS A 102 11.690 -1.253 -10.185 1.00 0.27 C ATOM 1617 CG LYS A 102 12.742 -2.207 -9.622 1.00 0.28 C ATOM 1618 CD LYS A 102 13.671 -1.544 -8.605 1.00 0.33 C ATOM 1619 CE LYS A 102 14.265 -0.242 -9.112 1.00 1.44 C ATOM 1620 NZ LYS A 102 15.040 -0.429 -10.368 1.00 2.40 N ATOM 0 H LYS A 102 9.797 -2.010 -8.662 1.00 0.20 H new ATOM 0 HA LYS A 102 11.792 0.067 -8.517 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.927 -1.838 -10.698 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.161 -0.616 -10.934 1.00 0.27 H new ATOM 0 HG2 LYS A 102 12.241 -3.053 -9.150 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.338 -2.606 -10.443 1.00 0.28 H new ATOM 0 HD2 LYS A 102 13.118 -1.352 -7.686 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.478 -2.233 -8.354 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.465 0.477 -9.285 1.00 1.44 H new ATOM 0 HE3 LYS A 102 14.915 0.182 -8.346 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 15.510 0.463 -10.622 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.756 -1.170 -10.227 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 14.396 -0.711 -11.134 1.00 2.40 H new ATOM 1634 N ALA A 103 8.910 0.600 -9.884 1.00 0.19 N ATOM 1635 CA ALA A 103 8.061 1.612 -10.496 1.00 0.21 C ATOM 1636 C ALA A 103 7.777 2.731 -9.510 1.00 0.18 C ATOM 1637 O ALA A 103 7.865 3.910 -9.859 1.00 0.20 O ATOM 1638 CB ALA A 103 6.762 1.010 -11.007 1.00 0.24 C ATOM 0 H ALA A 103 8.410 -0.210 -9.519 1.00 0.19 H new ATOM 0 HA ALA A 103 8.596 2.025 -11.352 1.00 0.21 H new ATOM 0 HB1 ALA A 103 6.151 1.792 -11.458 1.00 0.24 H new ATOM 0 HB2 ALA A 103 6.983 0.247 -11.753 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.219 0.559 -10.177 1.00 0.24 H new ATOM 1644 N LEU A 104 7.440 2.373 -8.273 1.00 0.16 N ATOM 1645 CA LEU A 104 7.171 3.386 -7.271 1.00 0.16 C ATOM 1646 C LEU A 104 8.449 4.165 -7.011 1.00 0.16 C ATOM 1647 O LEU A 104 8.426 5.388 -6.892 1.00 0.16 O ATOM 1648 CB LEU A 104 6.625 2.778 -5.965 1.00 0.19 C ATOM 1649 CG LEU A 104 7.619 1.956 -5.135 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.466 2.852 -4.250 1.00 0.23 C ATOM 1651 CD2 LEU A 104 6.885 0.933 -4.282 1.00 0.24 C ATOM 0 H LEU A 104 7.350 1.409 -7.951 1.00 0.16 H new ATOM 0 HA LEU A 104 6.397 4.054 -7.648 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.246 3.588 -5.342 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.776 2.141 -6.212 1.00 0.19 H new ATOM 0 HG LEU A 104 8.278 1.434 -5.829 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.161 2.242 -3.673 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.026 3.552 -4.870 1.00 0.23 H new ATOM 0 HD13 LEU A 104 7.820 3.407 -3.570 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.607 0.359 -3.700 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.200 1.446 -3.607 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.321 0.259 -4.927 1.00 0.24 H new ATOM 1663 N GLN A 105 9.574 3.444 -6.942 1.00 0.18 N ATOM 1664 CA GLN A 105 10.860 4.081 -6.705 1.00 0.22 C ATOM 1665 C GLN A 105 11.285 4.934 -7.892 1.00 0.24 C ATOM 1666 O GLN A 105 11.623 6.108 -7.724 1.00 0.26 O ATOM 1667 CB GLN A 105 11.913 3.033 -6.342 1.00 0.27 C ATOM 1668 CG GLN A 105 13.326 3.332 -6.824 1.00 0.35 C ATOM 1669 CD GLN A 105 14.079 4.294 -5.922 1.00 1.13 C ATOM 1670 OE1 GLN A 105 15.304 4.234 -5.824 1.00 1.76 O ATOM 1671 NE2 GLN A 105 13.354 5.186 -5.258 1.00 1.92 N ATOM 0 H GLN A 105 9.613 2.430 -7.047 1.00 0.18 H new ATOM 0 HA GLN A 105 10.759 4.758 -5.857 1.00 0.22 H new ATOM 0 HB2 GLN A 105 11.933 2.923 -5.258 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.602 2.073 -6.754 1.00 0.27 H new ATOM 0 HG2 GLN A 105 13.884 2.398 -6.893 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.278 3.750 -7.830 1.00 0.35 H new ATOM 0 HE21 GLN A 105 12.340 5.202 -5.367 1.00 1.92 H new ATOM 0 HE22 GLN A 105 13.811 5.855 -4.638 1.00 1.92 H new ATOM 1680 N GLU A 106 11.272 4.363 -9.094 1.00 0.25 N ATOM 1681 CA GLU A 106 11.637 5.138 -10.268 1.00 0.29 C ATOM 1682 C GLU A 106 10.767 6.385 -10.307 1.00 0.29 C ATOM 1683 O GLU A 106 11.193 7.446 -10.758 1.00 0.35 O ATOM 1684 CB GLU A 106 11.465 4.327 -11.555 1.00 0.31 C ATOM 1685 CG GLU A 106 10.017 4.131 -11.961 1.00 0.29 C ATOM 1686 CD GLU A 106 9.873 3.404 -13.283 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.905 2.155 -13.282 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.725 4.084 -14.321 1.00 0.41 O ATOM 0 H GLU A 106 11.019 3.392 -9.275 1.00 0.25 H new ATOM 0 HA GLU A 106 12.690 5.412 -10.202 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.996 4.829 -12.364 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.932 3.351 -11.424 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.499 3.569 -11.184 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.529 5.103 -12.031 1.00 0.29 H new ATOM 1695 N LYS A 107 9.540 6.241 -9.805 1.00 0.23 N ATOM 1696 CA LYS A 107 8.606 7.350 -9.750 1.00 0.23 C ATOM 1697 C LYS A 107 9.136 8.420 -8.798 1.00 0.24 C ATOM 1698 O LYS A 107 9.162 9.603 -9.141 1.00 0.30 O ATOM 1699 CB LYS A 107 7.227 6.852 -9.300 1.00 0.22 C ATOM 1700 CG LYS A 107 6.098 7.856 -9.500 1.00 0.62 C ATOM 1701 CD LYS A 107 6.124 8.971 -8.462 1.00 1.05 C ATOM 1702 CE LYS A 107 6.087 8.427 -7.040 1.00 1.11 C ATOM 1703 NZ LYS A 107 6.193 9.519 -6.032 1.00 2.14 N ATOM 0 H LYS A 107 9.176 5.364 -9.432 1.00 0.23 H new ATOM 0 HA LYS A 107 8.503 7.789 -10.742 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.987 5.940 -9.847 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.277 6.586 -8.244 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.173 8.289 -10.497 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.141 7.337 -9.449 1.00 0.62 H new ATOM 0 HD2 LYS A 107 7.024 9.571 -8.597 1.00 1.05 H new ATOM 0 HD3 LYS A 107 5.272 9.633 -8.619 1.00 1.05 H new ATOM 0 HE2 LYS A 107 5.159 7.876 -6.885 1.00 1.11 H new ATOM 0 HE3 LYS A 107 6.905 7.720 -6.899 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 6.629 9.149 -5.164 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 6.780 10.288 -6.414 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 5.244 9.884 -5.814 1.00 2.14 H new ATOM 1717 N VAL A 108 9.562 8.005 -7.600 1.00 0.22 N ATOM 1718 CA VAL A 108 10.105 8.951 -6.626 1.00 0.26 C ATOM 1719 C VAL A 108 11.300 9.675 -7.233 1.00 0.33 C ATOM 1720 O VAL A 108 11.605 10.810 -6.868 1.00 0.40 O ATOM 1721 CB VAL A 108 10.532 8.274 -5.294 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.636 7.101 -4.957 1.00 0.22 C ATOM 1723 CG2 VAL A 108 11.996 7.856 -5.321 1.00 0.28 C ATOM 0 H VAL A 108 9.541 7.034 -7.287 1.00 0.22 H new ATOM 0 HA VAL A 108 9.308 9.655 -6.386 1.00 0.26 H new ATOM 0 HB VAL A 108 10.417 9.017 -4.504 1.00 0.26 H new ATOM 0 HG11 VAL A 108 9.963 6.651 -4.020 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.607 7.447 -4.854 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.692 6.360 -5.754 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.258 7.386 -4.373 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.157 7.148 -6.134 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.622 8.734 -5.476 1.00 0.28 H new ATOM 1733 N GLU A 109 11.979 9.001 -8.159 1.00 0.38 N ATOM 1734 CA GLU A 109 13.132 9.578 -8.840 1.00 0.48 C ATOM 1735 C GLU A 109 12.687 10.705 -9.765 1.00 0.45 C ATOM 1736 O GLU A 109 13.204 11.820 -9.698 1.00 0.45 O ATOM 1737 CB GLU A 109 13.869 8.509 -9.647 1.00 0.62 C ATOM 1738 CG GLU A 109 15.162 9.001 -10.276 1.00 1.29 C ATOM 1739 CD GLU A 109 16.147 9.526 -9.251 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.835 8.701 -8.613 1.00 1.75 O ATOM 1741 OE2 GLU A 109 16.232 10.760 -9.085 1.00 2.41 O ATOM 0 H GLU A 109 11.748 8.052 -8.454 1.00 0.38 H new ATOM 0 HA GLU A 109 13.810 9.979 -8.087 1.00 0.48 H new ATOM 0 HB2 GLU A 109 14.091 7.664 -8.996 1.00 0.62 H new ATOM 0 HB3 GLU A 109 13.210 8.141 -10.433 1.00 0.62 H new ATOM 0 HG2 GLU A 109 15.623 8.186 -10.833 1.00 1.29 H new ATOM 0 HG3 GLU A 109 14.935 9.790 -10.994 1.00 1.29 H new ATOM 1748 N ILE A 110 11.725 10.397 -10.635 1.00 0.44 N ATOM 1749 CA ILE A 110 11.193 11.379 -11.575 1.00 0.42 C ATOM 1750 C ILE A 110 10.748 12.644 -10.845 1.00 0.39 C ATOM 1751 O ILE A 110 11.089 13.759 -11.243 1.00 0.45 O ATOM 1752 CB ILE A 110 10.005 10.793 -12.372 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.504 10.040 -13.610 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.021 11.883 -12.779 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.383 8.849 -13.300 1.00 0.55 C ATOM 0 H ILE A 110 11.299 9.473 -10.707 1.00 0.44 H new ATOM 0 HA ILE A 110 11.991 11.635 -12.271 1.00 0.42 H new ATOM 0 HB ILE A 110 9.483 10.091 -11.721 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.643 9.702 -14.187 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.059 10.732 -14.243 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.197 11.439 -13.338 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.632 12.373 -11.887 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.529 12.617 -13.404 1.00 0.42 H new ATOM 0 HD11 ILE A 110 11.692 8.373 -14.231 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.265 9.180 -12.751 1.00 0.55 H new ATOM 0 HD13 ILE A 110 10.826 8.134 -12.694 1.00 0.55 H new ATOM 1767 N LYS A 111 9.984 12.456 -9.776 1.00 0.36 N ATOM 1768 CA LYS A 111 9.485 13.571 -8.977 1.00 0.37 C ATOM 1769 C LYS A 111 10.247 13.684 -7.663 1.00 0.40 C ATOM 1770 O LYS A 111 11.383 13.226 -7.545 1.00 0.48 O ATOM 1771 CB LYS A 111 7.999 13.380 -8.679 1.00 0.39 C ATOM 1772 CG LYS A 111 7.075 14.002 -9.709 1.00 0.51 C ATOM 1773 CD LYS A 111 5.679 14.194 -9.139 1.00 0.65 C ATOM 1774 CE LYS A 111 5.011 12.860 -8.838 1.00 0.67 C ATOM 1775 NZ LYS A 111 5.004 11.964 -10.028 1.00 1.28 N ATOM 0 H LYS A 111 9.695 11.537 -9.440 1.00 0.36 H new ATOM 0 HA LYS A 111 9.632 14.486 -9.550 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.787 12.313 -8.614 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.777 13.809 -7.702 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.476 14.963 -10.030 1.00 0.51 H new ATOM 0 HG3 LYS A 111 7.027 13.365 -10.592 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.736 14.788 -8.227 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.070 14.756 -9.847 1.00 0.65 H new ATOM 0 HE2 LYS A 111 5.533 12.369 -8.017 1.00 0.67 H new ATOM 0 HE3 LYS A 111 3.987 13.033 -8.507 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 4.320 11.195 -9.879 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 4.734 12.509 -10.871 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 5.953 11.562 -10.165 1.00 1.28 H new ATOM 1789 N GLN A 112 9.610 14.314 -6.683 1.00 0.43 N ATOM 1790 CA GLN A 112 10.194 14.476 -5.365 1.00 0.56 C ATOM 1791 C GLN A 112 9.836 13.283 -4.494 1.00 0.65 C ATOM 1792 O GLN A 112 10.127 12.142 -4.858 1.00 1.51 O ATOM 1793 CB GLN A 112 9.706 15.782 -4.735 1.00 0.66 C ATOM 1794 CG GLN A 112 10.325 17.026 -5.354 1.00 0.69 C ATOM 1795 CD GLN A 112 11.839 17.029 -5.269 1.00 1.29 C ATOM 1796 OE1 GLN A 112 12.522 16.532 -6.164 1.00 2.15 O ATOM 1797 NE2 GLN A 112 12.371 17.589 -4.190 1.00 2.03 N ATOM 0 H GLN A 112 8.681 14.723 -6.782 1.00 0.43 H new ATOM 0 HA GLN A 112 11.279 14.525 -5.452 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.622 15.839 -4.832 1.00 0.66 H new ATOM 0 HB3 GLN A 112 9.930 15.767 -3.668 1.00 0.66 H new ATOM 0 HG2 GLN A 112 10.024 17.096 -6.399 1.00 0.69 H new ATOM 0 HG3 GLN A 112 9.935 17.910 -4.850 1.00 0.69 H new ATOM 0 HE21 GLN A 112 11.767 17.989 -3.472 1.00 2.03 H new ATOM 0 HE22 GLN A 112 13.384 17.619 -4.078 1.00 2.03 H new ATOM 1806 N LEU A 113 9.222 13.541 -3.345 1.00 0.37 N ATOM 1807 CA LEU A 113 8.800 12.469 -2.459 1.00 0.29 C ATOM 1808 C LEU A 113 9.984 11.679 -1.934 1.00 0.30 C ATOM 1809 O LEU A 113 9.827 10.547 -1.477 1.00 0.44 O ATOM 1810 CB LEU A 113 7.852 11.536 -3.204 1.00 0.24 C ATOM 1811 CG LEU A 113 6.515 12.153 -3.598 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.720 12.530 -2.357 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.693 13.366 -4.504 1.00 0.36 C ATOM 0 H LEU A 113 9.007 14.480 -3.008 1.00 0.37 H new ATOM 0 HA LEU A 113 8.291 12.917 -1.606 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.351 11.181 -4.106 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.662 10.663 -2.580 1.00 0.24 H new ATOM 0 HG LEU A 113 5.961 11.402 -4.162 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.768 12.969 -2.654 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.537 11.638 -1.758 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.285 13.253 -1.769 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.716 13.775 -4.761 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.279 14.125 -3.985 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.212 13.067 -5.415 1.00 0.36 H new ATOM 1825 N ASN A 114 11.168 12.272 -1.998 1.00 0.19 N ATOM 1826 CA ASN A 114 12.364 11.600 -1.520 1.00 0.18 C ATOM 1827 C ASN A 114 12.163 11.114 -0.092 1.00 0.16 C ATOM 1828 O ASN A 114 12.701 10.079 0.294 1.00 0.18 O ATOM 1829 CB ASN A 114 13.575 12.527 -1.597 1.00 0.20 C ATOM 1830 CG ASN A 114 13.743 13.160 -2.965 1.00 0.27 C ATOM 1831 OD1 ASN A 114 14.215 14.291 -3.083 1.00 1.10 O ATOM 1832 ND2 ASN A 114 13.361 12.433 -4.009 1.00 1.22 N ATOM 0 H ASN A 114 11.324 13.208 -2.373 1.00 0.19 H new ATOM 0 HA ASN A 114 12.550 10.739 -2.162 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.474 13.312 -0.848 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.475 11.964 -1.349 1.00 0.20 H new ATOM 0 HD21 ASN A 114 13.454 12.808 -4.953 1.00 1.22 H new ATOM 0 HD22 ASN A 114 12.975 11.500 -3.867 1.00 1.22 H new ATOM 1839 N HIS A 115 11.386 11.864 0.690 1.00 0.16 N ATOM 1840 CA HIS A 115 11.101 11.489 2.073 1.00 0.14 C ATOM 1841 C HIS A 115 10.486 10.096 2.106 1.00 0.13 C ATOM 1842 O HIS A 115 10.883 9.238 2.904 1.00 0.12 O ATOM 1843 CB HIS A 115 10.152 12.497 2.717 1.00 0.15 C ATOM 1844 CG HIS A 115 10.641 13.911 2.652 1.00 0.28 C ATOM 1845 ND1 HIS A 115 11.514 14.449 3.572 1.00 1.33 N ATOM 1846 CD2 HIS A 115 10.371 14.901 1.769 1.00 0.92 C ATOM 1847 CE1 HIS A 115 11.758 15.711 3.260 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.077 16.009 2.169 1.00 0.51 N ATOM 0 H HIS A 115 10.944 12.733 0.389 1.00 0.16 H new ATOM 0 HA HIS A 115 12.033 11.486 2.638 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.181 12.435 2.225 1.00 0.15 H new ATOM 0 HB3 HIS A 115 9.998 12.223 3.761 1.00 0.15 H new ATOM 0 HD2 HIS A 115 9.721 14.832 0.909 1.00 0.92 H new ATOM 0 HE1 HIS A 115 12.404 16.383 3.805 1.00 1.14 H new ATOM 0 HE2 HIS A 115 11.075 16.915 1.700 1.00 0.51 H new ATOM 1857 N PHE A 116 9.501 9.879 1.240 1.00 0.13 N ATOM 1858 CA PHE A 116 8.870 8.577 1.138 1.00 0.13 C ATOM 1859 C PHE A 116 9.966 7.545 0.926 1.00 0.12 C ATOM 1860 O PHE A 116 10.072 6.561 1.662 1.00 0.16 O ATOM 1861 CB PHE A 116 7.863 8.559 -0.016 1.00 0.15 C ATOM 1862 CG PHE A 116 7.573 7.189 -0.562 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.158 6.165 0.275 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.715 6.931 -1.915 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.892 4.908 -0.232 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.449 5.676 -2.424 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.037 4.663 -1.583 1.00 0.21 C ATOM 0 H PHE A 116 9.128 10.585 0.605 1.00 0.13 H new ATOM 0 HA PHE A 116 8.318 8.348 2.049 1.00 0.13 H new ATOM 0 HB2 PHE A 116 6.929 9.007 0.325 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.241 9.186 -0.823 1.00 0.15 H new ATOM 0 HD1 PHE A 116 7.042 6.352 1.332 1.00 0.73 H new ATOM 0 HD2 PHE A 116 8.037 7.720 -2.579 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.570 4.116 0.429 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.563 5.487 -3.481 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.828 3.681 -1.980 1.00 0.21 H new ATOM 1877 N TRP A 117 10.802 7.805 -0.071 1.00 0.14 N ATOM 1878 CA TRP A 117 11.919 6.932 -0.368 1.00 0.15 C ATOM 1879 C TRP A 117 12.724 6.687 0.901 1.00 0.15 C ATOM 1880 O TRP A 117 13.111 5.558 1.186 1.00 0.19 O ATOM 1881 CB TRP A 117 12.798 7.554 -1.461 1.00 0.19 C ATOM 1882 CG TRP A 117 14.166 6.948 -1.562 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.355 7.571 -1.316 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.487 5.603 -1.938 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.397 6.699 -1.518 1.00 0.60 N ATOM 1886 CE2 TRP A 117 15.890 5.485 -1.901 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.727 4.488 -2.303 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.546 4.297 -2.213 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.379 3.311 -2.613 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.776 3.222 -2.567 1.00 0.92 C ATOM 0 H TRP A 117 10.724 8.615 -0.685 1.00 0.14 H new ATOM 0 HA TRP A 117 11.546 5.976 -0.736 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.294 7.449 -2.422 1.00 0.19 H new ATOM 0 HB3 TRP A 117 12.898 8.622 -1.268 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.461 8.600 -1.007 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.386 6.919 -1.402 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.649 4.546 -2.342 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.623 4.226 -2.177 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.801 2.443 -2.896 1.00 0.88 H new ATOM 0 HH2 TRP A 117 16.255 2.287 -2.816 1.00 0.92 H new ATOM 1901 N GLU A 118 12.931 7.753 1.682 1.00 0.14 N ATOM 1902 CA GLU A 118 13.692 7.667 2.926 1.00 0.15 C ATOM 1903 C GLU A 118 13.148 6.573 3.837 1.00 0.14 C ATOM 1904 O GLU A 118 13.886 5.672 4.234 1.00 0.17 O ATOM 1905 CB GLU A 118 13.685 9.004 3.679 1.00 0.17 C ATOM 1906 CG GLU A 118 14.299 10.159 2.907 1.00 0.20 C ATOM 1907 CD GLU A 118 15.700 9.855 2.412 1.00 0.27 C ATOM 1908 OE1 GLU A 118 15.830 9.322 1.289 1.00 0.64 O ATOM 1909 OE2 GLU A 118 16.667 10.150 3.145 1.00 0.86 O ATOM 0 H GLU A 118 12.579 8.687 1.471 1.00 0.14 H new ATOM 0 HA GLU A 118 14.717 7.420 2.651 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.656 9.259 3.934 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.225 8.882 4.618 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.662 10.401 2.056 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.327 11.042 3.545 1.00 0.20 H new ATOM 1916 N ILE A 119 11.858 6.643 4.176 1.00 0.11 N ATOM 1917 CA ILE A 119 11.286 5.630 5.059 1.00 0.13 C ATOM 1918 C ILE A 119 11.404 4.242 4.444 1.00 0.14 C ATOM 1919 O ILE A 119 11.606 3.263 5.165 1.00 0.19 O ATOM 1920 CB ILE A 119 9.818 5.913 5.442 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.903 5.839 4.220 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.703 7.266 6.128 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.471 6.227 4.510 1.00 0.14 C ATOM 0 H ILE A 119 11.210 7.366 3.864 1.00 0.11 H new ATOM 0 HA ILE A 119 11.869 5.672 5.979 1.00 0.13 H new ATOM 0 HB ILE A 119 9.493 5.142 6.141 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.297 6.493 3.442 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.922 4.824 3.823 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.662 7.453 6.393 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.313 7.269 7.031 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.051 8.047 5.452 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.881 6.151 3.597 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.059 5.558 5.265 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.439 7.253 4.878 1.00 0.14 H new ATOM 1935 N VAL A 120 11.290 4.136 3.115 1.00 0.13 N ATOM 1936 CA VAL A 120 11.428 2.825 2.485 1.00 0.20 C ATOM 1937 C VAL A 120 12.860 2.310 2.666 1.00 0.21 C ATOM 1938 O VAL A 120 13.075 1.105 2.775 1.00 0.25 O ATOM 1939 CB VAL A 120 11.015 2.792 0.989 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.329 4.073 0.568 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.195 2.493 0.084 1.00 0.76 C ATOM 0 H VAL A 120 11.109 4.912 2.478 1.00 0.13 H new ATOM 0 HA VAL A 120 10.725 2.164 2.992 1.00 0.20 H new ATOM 0 HB VAL A 120 10.298 1.978 0.881 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.056 4.010 -0.485 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.431 4.219 1.168 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.006 4.914 0.718 1.00 0.82 H new ATOM 0 HG21 VAL A 120 11.863 2.479 -0.954 1.00 0.76 H new ATOM 0 HG22 VAL A 120 12.956 3.263 0.211 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.616 1.521 0.344 1.00 0.76 H new ATOM 1951 N VAL A 121 13.844 3.223 2.697 1.00 0.20 N ATOM 1952 CA VAL A 121 15.231 2.810 2.917 1.00 0.24 C ATOM 1953 C VAL A 121 15.363 2.344 4.356 1.00 0.26 C ATOM 1954 O VAL A 121 16.111 1.416 4.668 1.00 0.31 O ATOM 1955 CB VAL A 121 16.272 3.930 2.641 1.00 0.25 C ATOM 1956 CG1 VAL A 121 15.731 4.961 1.671 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.734 4.594 3.928 1.00 0.26 C ATOM 0 H VAL A 121 13.707 4.226 2.575 1.00 0.20 H new ATOM 0 HA VAL A 121 15.449 2.012 2.207 1.00 0.24 H new ATOM 0 HB VAL A 121 17.138 3.455 2.181 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.484 5.730 1.500 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.485 4.477 0.726 1.00 0.24 H new ATOM 0 HG13 VAL A 121 14.834 5.418 2.089 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.461 5.372 3.695 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.878 5.038 4.436 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.195 3.849 4.577 1.00 0.26 H new ATOM 1967 N GLN A 122 14.614 3.013 5.224 1.00 0.25 N ATOM 1968 CA GLN A 122 14.591 2.698 6.640 1.00 0.30 C ATOM 1969 C GLN A 122 13.826 1.397 6.865 1.00 0.35 C ATOM 1970 O GLN A 122 14.009 0.717 7.875 1.00 0.44 O ATOM 1971 CB GLN A 122 13.942 3.855 7.404 1.00 0.29 C ATOM 1972 CG GLN A 122 13.564 3.514 8.830 1.00 0.44 C ATOM 1973 CD GLN A 122 13.219 4.739 9.654 1.00 1.27 C ATOM 1974 OE1 GLN A 122 13.747 5.827 9.421 1.00 1.92 O ATOM 1975 NE2 GLN A 122 12.326 4.569 10.622 1.00 2.12 N ATOM 0 H GLN A 122 14.006 3.789 4.962 1.00 0.25 H new ATOM 0 HA GLN A 122 15.608 2.563 7.008 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.628 4.702 7.413 1.00 0.29 H new ATOM 0 HB3 GLN A 122 13.048 4.175 6.868 1.00 0.29 H new ATOM 0 HG2 GLN A 122 12.712 2.835 8.823 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.390 2.984 9.304 1.00 0.44 H new ATOM 0 HE21 GLN A 122 11.914 3.649 10.780 1.00 2.12 H new ATOM 0 HE22 GLN A 122 12.052 5.358 11.208 1.00 2.12 H new ATOM 1984 N ASP A 123 12.971 1.062 5.904 1.00 0.31 N ATOM 1985 CA ASP A 123 12.170 -0.156 5.971 1.00 0.37 C ATOM 1986 C ASP A 123 12.672 -1.207 4.982 1.00 0.40 C ATOM 1987 O ASP A 123 12.156 -2.324 4.943 1.00 0.45 O ATOM 1988 CB ASP A 123 10.704 0.170 5.678 1.00 0.35 C ATOM 1989 CG ASP A 123 10.012 0.839 6.850 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.590 0.120 7.780 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.894 2.082 6.837 1.00 0.71 O ATOM 0 H ASP A 123 12.814 1.620 5.065 1.00 0.31 H new ATOM 0 HA ASP A 123 12.262 -0.565 6.977 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.647 0.822 4.806 1.00 0.35 H new ATOM 0 HB3 ASP A 123 10.175 -0.748 5.424 1.00 0.35 H new ATOM 1996 N GLY A 124 13.677 -0.847 4.183 1.00 0.38 N ATOM 1997 CA GLY A 124 14.205 -1.777 3.198 1.00 0.43 C ATOM 1998 C GLY A 124 13.128 -2.206 2.227 1.00 0.44 C ATOM 1999 O GLY A 124 12.641 -3.335 2.284 1.00 0.55 O ATOM 0 H GLY A 124 14.132 0.066 4.200 1.00 0.38 H new ATOM 0 HA2 GLY A 124 15.025 -1.309 2.654 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.615 -2.652 3.702 1.00 0.43 H new ATOM 2003 N ILE A 125 12.755 -1.297 1.330 1.00 0.40 N ATOM 2004 CA ILE A 125 11.696 -1.561 0.367 1.00 0.44 C ATOM 2005 C ILE A 125 12.166 -1.389 -1.081 1.00 0.45 C ATOM 2006 O ILE A 125 11.586 -0.613 -1.842 1.00 0.48 O ATOM 2007 CB ILE A 125 10.502 -0.620 0.629 1.00 0.47 C ATOM 2008 CG1 ILE A 125 10.209 -0.531 2.132 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.265 -1.079 -0.123 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.781 -1.845 2.751 1.00 0.49 C ATOM 0 H ILE A 125 13.173 -0.370 1.252 1.00 0.40 H new ATOM 0 HA ILE A 125 11.396 -2.601 0.498 1.00 0.44 H new ATOM 0 HB ILE A 125 10.771 0.371 0.264 1.00 0.47 H new ATOM 0 HG12 ILE A 125 11.101 -0.172 2.646 1.00 0.58 H new ATOM 0 HG13 ILE A 125 9.426 0.209 2.297 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.440 -0.396 0.082 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.472 -1.088 -1.193 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.993 -2.083 0.202 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.592 -1.702 3.815 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.871 -2.197 2.265 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.572 -2.584 2.619 1.00 0.49 H new ATOM 2022 N THR A 126 13.222 -2.105 -1.460 1.00 0.45 N ATOM 2023 CA THR A 126 13.733 -2.034 -2.827 1.00 0.47 C ATOM 2024 C THR A 126 14.224 -3.398 -3.305 1.00 0.48 C ATOM 2025 O THR A 126 14.648 -4.227 -2.500 1.00 0.57 O ATOM 2026 CB THR A 126 14.855 -0.996 -2.977 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.500 0.213 -2.298 1.00 0.55 O ATOM 2028 CG2 THR A 126 15.110 -0.697 -4.446 1.00 0.53 C ATOM 0 H THR A 126 13.737 -2.736 -0.846 1.00 0.45 H new ATOM 0 HA THR A 126 12.897 -1.717 -3.451 1.00 0.47 H new ATOM 0 HB THR A 126 15.764 -1.405 -2.536 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.999 0.963 -2.683 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.908 0.040 -4.534 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.404 -1.613 -4.958 1.00 0.53 H new ATOM 0 HG23 THR A 126 14.201 -0.304 -4.900 1.00 0.53 H new ATOM 2036 N LEU A 127 14.151 -3.610 -4.623 1.00 0.47 N ATOM 2037 CA LEU A 127 14.547 -4.869 -5.272 1.00 0.48 C ATOM 2038 C LEU A 127 13.942 -6.094 -4.575 1.00 0.46 C ATOM 2039 O LEU A 127 13.305 -5.983 -3.528 1.00 0.52 O ATOM 2040 CB LEU A 127 16.076 -5.001 -5.356 1.00 0.52 C ATOM 2041 CG LEU A 127 16.781 -5.475 -4.084 1.00 0.66 C ATOM 2042 CD1 LEU A 127 16.779 -6.986 -3.981 1.00 1.29 C ATOM 2043 CD2 LEU A 127 18.206 -4.972 -4.048 1.00 1.19 C ATOM 0 H LEU A 127 13.812 -2.906 -5.278 1.00 0.47 H new ATOM 0 HA LEU A 127 14.148 -4.835 -6.286 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.317 -5.695 -6.161 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.489 -4.032 -5.637 1.00 0.52 H new ATOM 0 HG LEU A 127 16.230 -5.068 -3.236 1.00 0.66 H new ATOM 0 HD11 LEU A 127 17.288 -7.289 -3.066 1.00 1.29 H new ATOM 0 HD12 LEU A 127 15.751 -7.348 -3.962 1.00 1.29 H new ATOM 0 HD13 LEU A 127 17.297 -7.410 -4.841 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.691 -5.319 -3.136 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.748 -5.351 -4.914 1.00 1.19 H new ATOM 0 HD23 LEU A 127 18.208 -3.882 -4.068 1.00 1.19 H new