USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=21 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= -4.22! C(o=-6.2!,f=-11!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -146:sc= -1.97! (180deg=-2.21!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0944 F(o=-2.2!,f=-0.094) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -1.91! (180deg=-3.22!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -160:sc= -1.51! USER MOD Single : A 55 SER OG : rot -18:sc= 1.23 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.23 F(o=-3!,f=-1.2) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= 0.779 F(o=-0.82,f=0.78) USER MOD Single : A 64 GLN : amide:sc= -0.968 K(o=-0.97,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0539 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) 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 -124:sc= -0.137 (180deg=-3.04!) USER MOD Single : A 77 SER OG : rot -97:sc= 0.57 USER MOD Single : A 80 CYS SG : rot -67:sc= -5.23! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.682 F(o=-3.9!,f=-0.68) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0831 F(o=-0.97,f=-0.083) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= -1.11 (180deg=-1.39) USER MOD Single : A 105 GLN : amide:sc= -1.99 K(o=-2,f=-5.4!) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= -2.75 (180deg=-4.23!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc=-0.00208 (180deg=-0.00208) USER MOD Single : A 112 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.0263 X(o=-0.026,f=-0.16) USER MOD Single : A 115 HIS : no HD1:sc= -0.0093 X(o=-0.0093,f=-0.016) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.16 USER MOD ----------------------------------------------------------------- ATOM 515 N PRO A 36 -6.114 1.760 2.799 1.00 0.33 N ATOM 516 CA PRO A 36 -6.509 2.117 1.443 1.00 0.40 C ATOM 517 C PRO A 36 -6.143 1.018 0.459 1.00 0.35 C ATOM 518 O PRO A 36 -6.554 1.034 -0.702 1.00 0.48 O ATOM 519 CB PRO A 36 -5.698 3.375 1.166 1.00 0.47 C ATOM 520 CG PRO A 36 -4.457 3.191 1.966 1.00 0.27 C ATOM 521 CD PRO A 36 -4.867 2.441 3.205 1.00 0.30 C ATOM 0 HA PRO A 36 -7.584 2.263 1.339 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.476 3.480 0.104 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.238 4.272 1.469 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.709 2.633 1.402 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -4.012 4.153 2.222 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.103 1.728 3.514 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.033 3.115 4.046 1.00 0.30 H new ATOM 529 N ALA A 37 -5.360 0.062 0.946 1.00 0.27 N ATOM 530 CA ALA A 37 -4.913 -1.060 0.138 1.00 0.31 C ATOM 531 C ALA A 37 -5.956 -2.171 0.111 1.00 0.29 C ATOM 532 O ALA A 37 -5.932 -3.032 -0.766 1.00 0.35 O ATOM 533 CB ALA A 37 -3.591 -1.586 0.673 1.00 0.37 C ATOM 0 H ALA A 37 -5.020 0.045 1.908 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.772 -0.712 -0.885 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -3.261 -2.427 0.063 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.843 -0.795 0.635 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.721 -1.914 1.704 1.00 0.37 H new ATOM 539 N GLU A 38 -6.876 -2.150 1.073 1.00 0.28 N ATOM 540 CA GLU A 38 -7.915 -3.170 1.145 1.00 0.30 C ATOM 541 C GLU A 38 -8.689 -3.251 -0.166 1.00 0.25 C ATOM 542 O GLU A 38 -9.167 -4.321 -0.543 1.00 0.25 O ATOM 543 CB GLU A 38 -8.867 -2.900 2.312 1.00 0.38 C ATOM 544 CG GLU A 38 -9.897 -1.816 2.033 1.00 0.39 C ATOM 545 CD GLU A 38 -10.960 -1.727 3.110 1.00 0.86 C ATOM 546 OE1 GLU A 38 -11.835 -2.618 3.154 1.00 1.36 O ATOM 547 OE2 GLU A 38 -10.921 -0.769 3.907 1.00 1.46 O ATOM 0 H GLU A 38 -6.922 -1.443 1.807 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.428 -4.130 1.316 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -9.387 -3.824 2.565 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -8.282 -2.614 3.186 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.392 -0.854 1.947 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.374 -2.013 1.073 1.00 0.39 H new ATOM 554 N ASN A 39 -8.823 -2.119 -0.854 1.00 0.28 N ATOM 555 CA ASN A 39 -9.518 -2.096 -2.134 1.00 0.30 C ATOM 556 C ASN A 39 -8.802 -3.021 -3.105 1.00 0.24 C ATOM 557 O ASN A 39 -9.396 -3.961 -3.641 1.00 0.22 O ATOM 558 CB ASN A 39 -9.573 -0.674 -2.696 1.00 0.37 C ATOM 559 CG ASN A 39 -10.473 0.235 -1.882 1.00 1.22 C ATOM 560 OD1 ASN A 39 -10.029 0.880 -0.931 1.00 2.04 O ATOM 561 ND2 ASN A 39 -11.748 0.294 -2.253 1.00 2.00 N ATOM 0 H ASN A 39 -8.462 -1.215 -0.548 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.543 -2.439 -1.991 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -8.566 -0.257 -2.720 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -9.930 -0.707 -3.725 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -12.400 0.890 -1.744 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -12.074 -0.257 -3.047 1.00 2.00 H new ATOM 568 N PHE A 40 -7.514 -2.754 -3.318 1.00 0.23 N ATOM 569 CA PHE A 40 -6.706 -3.586 -4.195 1.00 0.21 C ATOM 570 C PHE A 40 -6.888 -5.041 -3.787 1.00 0.17 C ATOM 571 O PHE A 40 -7.067 -5.921 -4.629 1.00 0.19 O ATOM 572 CB PHE A 40 -5.224 -3.181 -4.109 1.00 0.23 C ATOM 573 CG PHE A 40 -4.300 -4.318 -3.757 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.838 -5.181 -4.737 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.910 -4.533 -2.447 1.00 1.48 C ATOM 576 CE1 PHE A 40 -3.010 -6.237 -4.413 1.00 2.32 C ATOM 577 CE2 PHE A 40 -3.078 -5.587 -2.119 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.632 -6.441 -3.104 1.00 2.54 C ATOM 0 H PHE A 40 -7.014 -1.972 -2.896 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.027 -3.452 -5.228 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -4.917 -2.759 -5.066 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.115 -2.393 -3.363 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.129 -5.026 -5.766 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -4.260 -3.869 -1.671 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.658 -6.904 -5.186 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.778 -5.741 -1.093 1.00 2.20 H new ATOM 0 HZ PHE A 40 -1.987 -7.269 -2.850 1.00 2.54 H new ATOM 588 N ARG A 41 -6.855 -5.273 -2.478 1.00 0.15 N ATOM 589 CA ARG A 41 -7.023 -6.607 -1.932 1.00 0.18 C ATOM 590 C ARG A 41 -8.362 -7.186 -2.353 1.00 0.21 C ATOM 591 O ARG A 41 -8.483 -8.383 -2.611 1.00 0.25 O ATOM 592 CB ARG A 41 -6.933 -6.581 -0.415 1.00 0.24 C ATOM 593 CG ARG A 41 -5.526 -6.373 0.111 1.00 0.32 C ATOM 594 CD ARG A 41 -5.551 -6.037 1.585 1.00 0.33 C ATOM 595 NE ARG A 41 -4.262 -6.271 2.229 1.00 1.36 N ATOM 596 CZ ARG A 41 -4.105 -6.388 3.545 1.00 1.65 C ATOM 597 NH1 ARG A 41 -5.153 -6.275 4.352 1.00 1.07 N ATOM 598 NH2 ARG A 41 -2.904 -6.613 4.055 1.00 2.77 N ATOM 0 H ARG A 41 -6.712 -4.547 -1.776 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.223 -7.236 -2.322 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.574 -5.785 -0.036 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -7.323 -7.519 -0.021 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.935 -7.274 -0.052 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -5.041 -5.569 -0.442 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.834 -4.992 1.712 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -6.316 -6.637 2.079 1.00 0.33 H new ATOM 0 HE ARG A 41 -3.435 -6.349 1.637 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -6.079 -6.098 3.963 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -5.032 -6.365 5.361 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -2.096 -6.697 3.439 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -2.787 -6.702 5.064 1.00 2.77 H new ATOM 612 N VAL A 42 -9.371 -6.327 -2.406 1.00 0.21 N ATOM 613 CA VAL A 42 -10.698 -6.749 -2.809 1.00 0.24 C ATOM 614 C VAL A 42 -10.667 -7.277 -4.233 1.00 0.20 C ATOM 615 O VAL A 42 -11.153 -8.366 -4.503 1.00 0.26 O ATOM 616 CB VAL A 42 -11.728 -5.602 -2.689 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.926 -5.841 -3.600 1.00 0.35 C ATOM 618 CG2 VAL A 42 -12.185 -5.454 -1.248 1.00 0.35 C ATOM 0 H VAL A 42 -9.292 -5.337 -2.175 1.00 0.21 H new ATOM 0 HA VAL A 42 -11.011 -7.545 -2.133 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.243 -4.678 -3.004 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.633 -5.018 -3.494 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.590 -5.900 -4.635 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.413 -6.776 -3.323 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.910 -4.643 -1.178 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.647 -6.384 -0.916 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -11.326 -5.229 -0.615 1.00 0.35 H new ATOM 628 N LEU A 43 -10.071 -6.516 -5.143 1.00 0.15 N ATOM 629 CA LEU A 43 -10.000 -6.943 -6.538 1.00 0.15 C ATOM 630 C LEU A 43 -9.188 -8.227 -6.694 1.00 0.12 C ATOM 631 O LEU A 43 -9.540 -9.088 -7.500 1.00 0.14 O ATOM 632 CB LEU A 43 -9.420 -5.843 -7.422 1.00 0.16 C ATOM 633 CG LEU A 43 -10.205 -4.537 -7.400 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.513 -3.547 -6.494 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.364 -3.976 -8.806 1.00 0.24 C ATOM 0 H LEU A 43 -9.636 -5.614 -4.947 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.021 -7.147 -6.861 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.396 -5.642 -7.107 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.372 -6.206 -8.449 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.205 -4.729 -7.011 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.075 -2.613 -6.479 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.458 -3.954 -5.484 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.505 -3.358 -6.864 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -10.928 -3.044 -8.764 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.380 -3.786 -9.235 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -10.898 -4.695 -9.427 1.00 0.24 H new ATOM 647 N VAL A 44 -8.106 -8.365 -5.928 1.00 0.11 N ATOM 648 CA VAL A 44 -7.283 -9.566 -6.023 1.00 0.12 C ATOM 649 C VAL A 44 -8.005 -10.768 -5.423 1.00 0.15 C ATOM 650 O VAL A 44 -7.801 -11.903 -5.853 1.00 0.20 O ATOM 651 CB VAL A 44 -5.899 -9.404 -5.349 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.226 -8.128 -5.813 1.00 0.14 C ATOM 653 CG2 VAL A 44 -6.003 -9.433 -3.833 1.00 0.14 C ATOM 0 H VAL A 44 -7.785 -7.675 -5.249 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.112 -9.732 -7.087 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.286 -10.253 -5.651 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.255 -8.032 -5.328 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.090 -8.161 -6.894 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.848 -7.272 -5.551 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -5.010 -9.316 -3.398 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.645 -8.619 -3.497 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.429 -10.385 -3.516 1.00 0.14 H new ATOM 663 N LYS A 45 -8.858 -10.511 -4.434 1.00 0.19 N ATOM 664 CA LYS A 45 -9.615 -11.575 -3.785 1.00 0.26 C ATOM 665 C LYS A 45 -10.959 -11.773 -4.483 1.00 0.27 C ATOM 666 O LYS A 45 -11.642 -12.773 -4.265 1.00 0.32 O ATOM 667 CB LYS A 45 -9.826 -11.258 -2.299 1.00 0.32 C ATOM 668 CG LYS A 45 -10.923 -10.239 -2.033 1.00 0.34 C ATOM 669 CD LYS A 45 -11.122 -10.009 -0.543 1.00 0.42 C ATOM 670 CE LYS A 45 -9.941 -9.279 0.076 1.00 0.46 C ATOM 671 NZ LYS A 45 -10.094 -9.126 1.550 1.00 0.75 N ATOM 0 H LYS A 45 -9.041 -9.577 -4.066 1.00 0.19 H new ATOM 0 HA LYS A 45 -9.044 -12.500 -3.861 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -10.066 -12.181 -1.772 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.890 -10.887 -1.881 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.670 -9.296 -2.517 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.857 -10.584 -2.477 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -12.032 -9.431 -0.382 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -11.261 -10.967 -0.042 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -9.023 -9.826 -0.139 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.841 -8.295 -0.383 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -9.269 -8.623 1.934 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.957 -8.582 1.755 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -10.164 -10.065 1.991 1.00 0.75 H new ATOM 685 N GLN A 46 -11.325 -10.810 -5.328 1.00 0.26 N ATOM 686 CA GLN A 46 -12.581 -10.869 -6.070 1.00 0.31 C ATOM 687 C GLN A 46 -12.312 -10.997 -7.570 1.00 0.34 C ATOM 688 O GLN A 46 -11.162 -11.118 -7.992 1.00 0.38 O ATOM 689 CB GLN A 46 -13.433 -9.622 -5.788 1.00 0.30 C ATOM 690 CG GLN A 46 -13.782 -9.444 -4.321 1.00 0.30 C ATOM 691 CD GLN A 46 -14.645 -10.569 -3.781 1.00 0.37 C ATOM 692 OE1 GLN A 46 -14.005 -11.615 -3.271 1.00 1.06 O flip ATOM 693 NE2 GLN A 46 -15.873 -10.498 -3.822 1.00 1.27 N flip ATOM 0 H GLN A 46 -10.766 -9.977 -5.515 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.133 -11.749 -5.739 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.896 -8.739 -6.135 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.354 -9.683 -6.367 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.863 -9.386 -3.738 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.304 -8.496 -4.189 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -16.323 -9.675 -4.223 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -16.441 -11.262 -3.455 1.00 1.27 H new ATOM 702 N LYS A 47 -13.374 -10.976 -8.367 1.00 0.40 N ATOM 703 CA LYS A 47 -13.251 -11.087 -9.820 1.00 0.46 C ATOM 704 C LYS A 47 -13.038 -9.712 -10.444 1.00 0.42 C ATOM 705 O LYS A 47 -12.850 -9.585 -11.655 1.00 0.47 O ATOM 706 CB LYS A 47 -14.510 -11.722 -10.407 1.00 0.52 C ATOM 707 CG LYS A 47 -15.735 -10.829 -10.296 1.00 0.53 C ATOM 708 CD LYS A 47 -16.997 -11.545 -10.753 1.00 0.85 C ATOM 709 CE LYS A 47 -17.603 -12.384 -9.637 1.00 1.64 C ATOM 710 NZ LYS A 47 -16.700 -13.490 -9.214 1.00 2.55 N ATOM 0 H LYS A 47 -14.333 -10.883 -8.033 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.390 -11.716 -10.044 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -14.335 -11.959 -11.456 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -14.707 -12.664 -9.896 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -15.855 -10.503 -9.263 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -15.587 -9.932 -10.898 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.728 -10.812 -11.095 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -16.765 -12.185 -11.604 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -17.819 -11.745 -8.781 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.553 -12.800 -9.972 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -17.265 -14.265 -8.812 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -16.170 -13.839 -10.038 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -16.034 -13.139 -8.497 1.00 2.55 H new ATOM 724 N LYS A 48 -13.081 -8.694 -9.598 1.00 0.36 N ATOM 725 CA LYS A 48 -12.914 -7.307 -10.022 1.00 0.40 C ATOM 726 C LYS A 48 -11.732 -7.137 -10.973 1.00 0.53 C ATOM 727 O LYS A 48 -11.914 -6.926 -12.172 1.00 1.19 O ATOM 728 CB LYS A 48 -12.719 -6.426 -8.795 1.00 0.32 C ATOM 729 CG LYS A 48 -13.645 -6.791 -7.650 1.00 0.73 C ATOM 730 CD LYS A 48 -14.953 -6.026 -7.715 1.00 0.46 C ATOM 731 CE LYS A 48 -14.817 -4.669 -7.055 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.136 -4.004 -6.874 1.00 1.46 N ATOM 0 H LYS A 48 -13.233 -8.804 -8.595 1.00 0.36 H new ATOM 0 HA LYS A 48 -13.813 -7.010 -10.562 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -11.685 -6.505 -8.458 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -12.885 -5.385 -9.072 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.849 -7.861 -7.675 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -13.149 -6.583 -6.702 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -15.255 -5.901 -8.755 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.739 -6.598 -7.222 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.333 -4.784 -6.085 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.171 -4.034 -7.661 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.999 -3.079 -6.419 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.588 -3.871 -7.801 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.745 -4.597 -6.275 1.00 1.46 H new ATOM 746 N ALA A 49 -10.521 -7.231 -10.431 1.00 0.26 N ATOM 747 CA ALA A 49 -9.310 -7.070 -11.227 1.00 0.22 C ATOM 748 C ALA A 49 -8.255 -8.107 -10.872 1.00 0.20 C ATOM 749 O ALA A 49 -8.358 -8.795 -9.856 1.00 0.24 O ATOM 750 CB ALA A 49 -8.734 -5.682 -11.017 1.00 0.21 C ATOM 0 H ALA A 49 -10.353 -7.418 -9.442 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.586 -7.210 -12.272 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -7.830 -5.569 -11.615 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.466 -4.934 -11.322 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.492 -5.544 -9.963 1.00 0.21 H new ATOM 756 N SER A 50 -7.239 -8.215 -11.722 1.00 0.21 N ATOM 757 CA SER A 50 -6.141 -9.138 -11.486 1.00 0.21 C ATOM 758 C SER A 50 -5.222 -8.561 -10.419 1.00 0.18 C ATOM 759 O SER A 50 -5.322 -7.380 -10.090 1.00 0.19 O ATOM 760 CB SER A 50 -5.360 -9.385 -12.779 1.00 0.25 C ATOM 761 OG SER A 50 -5.015 -8.163 -13.405 1.00 0.27 O ATOM 0 H SER A 50 -7.156 -7.672 -12.582 1.00 0.21 H new ATOM 0 HA SER A 50 -6.542 -10.092 -11.144 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.456 -9.953 -12.559 1.00 0.25 H new ATOM 0 HB3 SER A 50 -5.959 -9.990 -13.460 1.00 0.25 H new ATOM 0 HG SER A 50 -4.811 -8.325 -14.350 1.00 0.27 H new ATOM 767 N PHE A 51 -4.336 -9.383 -9.876 1.00 0.19 N ATOM 768 CA PHE A 51 -3.419 -8.913 -8.845 1.00 0.20 C ATOM 769 C PHE A 51 -2.571 -7.756 -9.362 1.00 0.23 C ATOM 770 O PHE A 51 -2.007 -6.990 -8.581 1.00 0.26 O ATOM 771 CB PHE A 51 -2.511 -10.045 -8.366 1.00 0.23 C ATOM 772 CG PHE A 51 -1.707 -9.670 -7.157 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.241 -9.812 -5.889 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.428 -9.156 -7.289 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.514 -9.455 -4.773 1.00 0.97 C ATOM 776 CE2 PHE A 51 0.304 -8.793 -6.175 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.241 -8.942 -4.915 1.00 0.43 C ATOM 0 H PHE A 51 -4.232 -10.366 -10.127 1.00 0.19 H new ATOM 0 HA PHE A 51 -4.017 -8.564 -8.004 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.119 -10.920 -8.136 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.835 -10.329 -9.173 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.239 -10.207 -5.772 1.00 0.98 H new ATOM 0 HD2 PHE A 51 0.002 -9.038 -8.273 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.941 -9.577 -3.788 1.00 0.97 H new ATOM 0 HE2 PHE A 51 1.301 -8.393 -6.289 1.00 1.05 H new ATOM 0 HZ PHE A 51 0.328 -8.658 -4.042 1.00 0.43 H new ATOM 787 N GLU A 52 -2.496 -7.622 -10.681 1.00 0.25 N ATOM 788 CA GLU A 52 -1.702 -6.564 -11.291 1.00 0.28 C ATOM 789 C GLU A 52 -2.484 -5.255 -11.383 1.00 0.25 C ATOM 790 O GLU A 52 -1.993 -4.210 -10.963 1.00 0.28 O ATOM 791 CB GLU A 52 -1.196 -7.015 -12.665 1.00 0.33 C ATOM 792 CG GLU A 52 -2.144 -6.731 -13.820 1.00 0.35 C ATOM 793 CD GLU A 52 -1.630 -7.268 -15.141 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.845 -8.467 -15.418 1.00 0.80 O ATOM 795 OE2 GLU A 52 -1.013 -6.491 -15.898 1.00 0.83 O ATOM 0 H GLU A 52 -2.974 -8.231 -11.346 1.00 0.25 H new ATOM 0 HA GLU A 52 -0.840 -6.370 -10.653 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.244 -6.523 -12.865 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -0.999 -8.087 -12.630 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.116 -7.175 -13.605 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -2.297 -5.655 -13.904 1.00 0.35 H new ATOM 802 N GLU A 53 -3.694 -5.309 -11.932 1.00 0.24 N ATOM 803 CA GLU A 53 -4.526 -4.114 -12.056 1.00 0.23 C ATOM 804 C GLU A 53 -4.902 -3.603 -10.677 1.00 0.19 C ATOM 805 O GLU A 53 -4.999 -2.398 -10.449 1.00 0.21 O ATOM 806 CB GLU A 53 -5.789 -4.419 -12.860 1.00 0.27 C ATOM 807 CG GLU A 53 -6.821 -3.305 -12.808 1.00 1.06 C ATOM 808 CD GLU A 53 -7.913 -3.470 -13.847 1.00 1.05 C ATOM 809 OE1 GLU A 53 -7.677 -3.108 -15.020 1.00 1.26 O ATOM 810 OE2 GLU A 53 -9.005 -3.961 -13.490 1.00 1.23 O ATOM 0 H GLU A 53 -4.119 -6.161 -12.296 1.00 0.24 H new ATOM 0 HA GLU A 53 -3.957 -3.347 -12.582 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -5.514 -4.601 -13.899 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.238 -5.338 -12.483 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.271 -3.278 -11.815 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.323 -2.347 -12.959 1.00 1.06 H new ATOM 817 N ALA A 54 -5.118 -4.537 -9.765 1.00 0.19 N ATOM 818 CA ALA A 54 -5.471 -4.204 -8.403 1.00 0.16 C ATOM 819 C ALA A 54 -4.310 -3.500 -7.715 1.00 0.18 C ATOM 820 O ALA A 54 -4.467 -2.398 -7.184 1.00 0.17 O ATOM 821 CB ALA A 54 -5.868 -5.461 -7.653 1.00 0.16 C ATOM 0 H ALA A 54 -5.053 -5.538 -9.950 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.322 -3.523 -8.408 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.133 -5.204 -6.627 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -6.724 -5.923 -8.144 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.032 -6.161 -7.648 1.00 0.16 H new ATOM 827 N SER A 55 -3.138 -4.133 -7.737 1.00 0.26 N ATOM 828 CA SER A 55 -1.960 -3.535 -7.129 1.00 0.31 C ATOM 829 C SER A 55 -1.649 -2.233 -7.843 1.00 0.33 C ATOM 830 O SER A 55 -1.115 -1.297 -7.252 1.00 0.39 O ATOM 831 CB SER A 55 -0.757 -4.477 -7.212 1.00 0.43 C ATOM 832 OG SER A 55 -1.008 -5.688 -6.526 1.00 1.20 O ATOM 0 H SER A 55 -2.984 -5.047 -8.164 1.00 0.26 H new ATOM 0 HA SER A 55 -2.163 -3.346 -6.075 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.528 -4.688 -8.257 1.00 0.43 H new ATOM 0 HB3 SER A 55 0.120 -3.990 -6.786 1.00 0.43 H new ATOM 0 HG SER A 55 -1.765 -5.567 -5.915 1.00 1.20 H new ATOM 838 N ASN A 56 -2.004 -2.188 -9.123 1.00 0.32 N ATOM 839 CA ASN A 56 -1.790 -1.005 -9.936 1.00 0.35 C ATOM 840 C ASN A 56 -2.599 0.156 -9.385 1.00 0.30 C ATOM 841 O ASN A 56 -2.072 1.246 -9.178 1.00 0.34 O ATOM 842 CB ASN A 56 -2.175 -1.286 -11.395 1.00 0.40 C ATOM 843 CG ASN A 56 -1.017 -1.834 -12.209 1.00 0.49 C ATOM 844 OD1 ASN A 56 0.200 -1.422 -11.868 1.00 1.19 O flip ATOM 845 ND2 ASN A 56 -1.213 -2.619 -13.136 1.00 1.19 N flip ATOM 0 H ASN A 56 -2.443 -2.964 -9.618 1.00 0.32 H new ATOM 0 HA ASN A 56 -0.733 -0.740 -9.905 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.000 -1.998 -11.419 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -2.535 -0.366 -11.856 1.00 0.40 H new ATOM 0 HD21 ASN A 56 -2.163 -2.910 -13.365 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -0.425 -2.978 -13.675 1.00 1.19 H new ATOM 852 N GLN A 57 -3.882 -0.086 -9.140 1.00 0.25 N ATOM 853 CA GLN A 57 -4.753 0.942 -8.591 1.00 0.24 C ATOM 854 C GLN A 57 -4.305 1.308 -7.185 1.00 0.20 C ATOM 855 O GLN A 57 -4.509 2.435 -6.733 1.00 0.19 O ATOM 856 CB GLN A 57 -6.204 0.469 -8.579 1.00 0.27 C ATOM 857 CG GLN A 57 -6.908 0.647 -9.914 1.00 0.85 C ATOM 858 CD GLN A 57 -8.391 0.335 -9.843 1.00 1.10 C ATOM 859 OE1 GLN A 57 -8.762 -0.598 -8.971 1.00 1.66 O flip ATOM 860 NE2 GLN A 57 -9.196 0.923 -10.565 1.00 1.57 N flip ATOM 0 H GLN A 57 -4.339 -0.982 -9.313 1.00 0.25 H new ATOM 0 HA GLN A 57 -4.688 1.827 -9.224 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.233 -0.584 -8.299 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.751 1.018 -7.812 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.773 1.673 -10.257 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -6.440 -0.001 -10.655 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -8.869 1.633 -11.221 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.190 0.701 -10.507 1.00 1.57 H new ATOM 869 N LEU A 58 -3.700 0.346 -6.489 1.00 0.19 N ATOM 870 CA LEU A 58 -3.204 0.585 -5.140 1.00 0.17 C ATOM 871 C LEU A 58 -2.059 1.591 -5.185 1.00 0.17 C ATOM 872 O LEU A 58 -2.113 2.631 -4.527 1.00 0.18 O ATOM 873 CB LEU A 58 -2.730 -0.730 -4.493 1.00 0.19 C ATOM 874 CG LEU A 58 -2.873 -0.833 -2.958 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.814 -1.767 -2.388 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.770 0.534 -2.297 1.00 0.20 C ATOM 0 H LEU A 58 -3.544 -0.600 -6.837 1.00 0.19 H new ATOM 0 HA LEU A 58 -4.016 0.990 -4.535 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.286 -1.552 -4.944 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.681 -0.877 -4.749 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.862 -1.239 -2.744 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.928 -1.829 -1.306 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.932 -2.760 -2.823 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.823 -1.382 -2.627 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.875 0.425 -1.218 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.800 0.976 -2.525 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.561 1.181 -2.675 1.00 0.20 H new ATOM 888 N ILE A 59 -1.028 1.291 -5.978 1.00 0.19 N ATOM 889 CA ILE A 59 0.111 2.190 -6.093 1.00 0.20 C ATOM 890 C ILE A 59 -0.339 3.510 -6.713 1.00 0.18 C ATOM 891 O ILE A 59 0.173 4.575 -6.376 1.00 0.16 O ATOM 892 CB ILE A 59 1.240 1.602 -6.964 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.476 0.130 -6.622 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.518 2.404 -6.777 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.732 -0.736 -7.835 1.00 0.38 C ATOM 0 H ILE A 59 -0.962 0.443 -6.541 1.00 0.19 H new ATOM 0 HA ILE A 59 0.501 2.341 -5.086 1.00 0.20 H new ATOM 0 HB ILE A 59 0.938 1.664 -8.010 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.327 0.054 -5.945 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.608 -0.255 -6.087 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.308 1.980 -7.397 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.344 3.439 -7.070 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.820 2.369 -5.730 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.891 -1.767 -7.519 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.872 -0.690 -8.503 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.618 -0.376 -8.358 1.00 0.38 H new ATOM 907 N ASN A 60 -1.297 3.419 -7.637 1.00 0.20 N ATOM 908 CA ASN A 60 -1.840 4.600 -8.304 1.00 0.20 C ATOM 909 C ASN A 60 -2.453 5.537 -7.279 1.00 0.17 C ATOM 910 O ASN A 60 -2.205 6.744 -7.291 1.00 0.18 O ATOM 911 CB ASN A 60 -2.877 4.195 -9.351 1.00 0.22 C ATOM 912 CG ASN A 60 -2.264 3.984 -10.723 1.00 0.27 C ATOM 913 OD1 ASN A 60 -2.212 5.049 -11.516 1.00 0.81 O flip ATOM 914 ND2 ASN A 60 -1.842 2.881 -11.069 1.00 1.05 N flip ATOM 0 H ASN A 60 -1.712 2.538 -7.940 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.029 5.120 -8.814 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.371 3.277 -9.032 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.645 4.966 -9.414 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -1.901 2.089 -10.429 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -1.433 2.759 -11.996 1.00 1.05 H new ATOM 921 N HIS A 61 -3.262 4.974 -6.390 1.00 0.16 N ATOM 922 CA HIS A 61 -3.871 5.755 -5.332 1.00 0.16 C ATOM 923 C HIS A 61 -2.749 6.342 -4.488 1.00 0.13 C ATOM 924 O HIS A 61 -2.815 7.486 -4.016 1.00 0.12 O ATOM 925 CB HIS A 61 -4.801 4.866 -4.503 1.00 0.20 C ATOM 926 CG HIS A 61 -4.572 4.951 -3.033 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.485 4.378 -2.420 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.287 5.550 -2.056 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.538 4.619 -1.129 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.621 5.329 -0.878 1.00 0.30 N ATOM 0 H HIS A 61 -3.508 3.984 -6.384 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.478 6.565 -5.736 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.834 5.141 -4.716 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.675 3.831 -4.820 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -6.209 6.099 -2.179 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.816 4.291 -0.396 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.915 5.659 0.041 1.00 0.30 H new ATOM 939 N ILE A 62 -1.703 5.539 -4.327 1.00 0.14 N ATOM 940 CA ILE A 62 -0.526 5.943 -3.587 1.00 0.13 C ATOM 941 C ILE A 62 0.186 7.070 -4.325 1.00 0.11 C ATOM 942 O ILE A 62 0.884 7.875 -3.717 1.00 0.12 O ATOM 943 CB ILE A 62 0.435 4.760 -3.389 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.202 3.722 -2.465 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.777 5.231 -2.851 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.289 4.150 -1.014 1.00 0.75 C ATOM 0 H ILE A 62 -1.653 4.594 -4.707 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.843 6.293 -2.605 1.00 0.13 H new ATOM 0 HB ILE A 62 0.621 4.293 -4.356 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -1.206 3.498 -2.827 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.372 2.798 -2.525 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.438 4.374 -2.720 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.226 5.931 -3.556 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.631 5.726 -1.891 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.753 3.357 -0.428 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.713 4.345 -0.632 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.890 5.056 -0.937 1.00 0.75 H new ATOM 958 N GLU A 63 0.012 7.109 -5.644 1.00 0.12 N ATOM 959 CA GLU A 63 0.615 8.161 -6.453 1.00 0.13 C ATOM 960 C GLU A 63 -0.113 9.465 -6.182 1.00 0.12 C ATOM 961 O GLU A 63 0.509 10.520 -6.054 1.00 0.11 O ATOM 962 CB GLU A 63 0.560 7.812 -7.941 1.00 0.17 C ATOM 963 CG GLU A 63 1.497 6.680 -8.329 1.00 0.17 C ATOM 964 CD GLU A 63 1.406 6.323 -9.801 1.00 0.21 C ATOM 965 OE1 GLU A 63 2.007 7.043 -10.624 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.733 5.324 -10.129 1.00 0.70 O ATOM 0 H GLU A 63 -0.537 6.430 -6.170 1.00 0.12 H new ATOM 0 HA GLU A 63 1.666 8.264 -6.182 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.461 7.536 -8.205 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.811 8.698 -8.524 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.522 6.965 -8.091 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.264 5.799 -7.731 1.00 0.17 H new ATOM 973 N GLN A 64 -1.442 9.384 -6.102 1.00 0.14 N ATOM 974 CA GLN A 64 -2.249 10.556 -5.794 1.00 0.14 C ATOM 975 C GLN A 64 -1.752 11.132 -4.476 1.00 0.11 C ATOM 976 O GLN A 64 -1.462 12.332 -4.358 1.00 0.10 O ATOM 977 CB GLN A 64 -3.731 10.179 -5.693 1.00 0.18 C ATOM 978 CG GLN A 64 -4.681 11.338 -5.949 1.00 0.91 C ATOM 979 CD GLN A 64 -4.496 12.481 -4.969 1.00 1.57 C ATOM 980 OE1 GLN A 64 -3.722 13.406 -5.215 1.00 2.40 O ATOM 981 NE2 GLN A 64 -5.209 12.421 -3.849 1.00 2.11 N ATOM 0 H GLN A 64 -1.974 8.526 -6.245 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.154 11.297 -6.588 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -3.943 9.384 -6.408 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.926 9.775 -4.700 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.530 11.708 -6.963 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -5.708 10.979 -5.890 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -5.839 11.635 -3.687 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -5.127 13.161 -3.152 1.00 2.11 H new ATOM 990 N PHE A 65 -1.643 10.263 -3.476 1.00 0.11 N ATOM 991 CA PHE A 65 -1.127 10.689 -2.190 1.00 0.11 C ATOM 992 C PHE A 65 0.268 11.278 -2.398 1.00 0.10 C ATOM 993 O PHE A 65 0.550 12.395 -1.981 1.00 0.12 O ATOM 994 CB PHE A 65 -1.060 9.521 -1.196 1.00 0.14 C ATOM 995 CG PHE A 65 0.271 9.420 -0.516 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.719 10.431 0.323 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.095 8.340 -0.756 1.00 0.14 C ATOM 998 CE1 PHE A 65 1.961 10.357 0.909 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.340 8.266 -0.176 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.772 9.275 0.656 1.00 0.16 C ATOM 0 H PHE A 65 -1.901 9.278 -3.533 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.799 11.438 -1.770 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.840 9.643 -0.444 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.267 8.589 -1.722 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.086 11.284 0.518 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.759 7.545 -1.405 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.298 11.145 1.565 1.00 0.18 H new ATOM 0 HE2 PHE A 65 2.978 7.417 -0.373 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.750 9.217 1.111 1.00 0.16 H new ATOM 1010 N LEU A 66 1.140 10.509 -3.049 1.00 0.09 N ATOM 1011 CA LEU A 66 2.501 10.955 -3.301 1.00 0.10 C ATOM 1012 C LEU A 66 2.488 12.279 -4.048 1.00 0.11 C ATOM 1013 O LEU A 66 3.487 12.995 -4.086 1.00 0.17 O ATOM 1014 CB LEU A 66 3.295 9.887 -4.060 1.00 0.11 C ATOM 1015 CG LEU A 66 3.827 8.743 -3.181 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.506 7.682 -4.031 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.791 9.272 -2.122 1.00 0.08 C ATOM 0 H LEU A 66 0.925 9.579 -3.408 1.00 0.09 H new ATOM 0 HA LEU A 66 3.002 11.111 -2.345 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.660 9.465 -4.838 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.137 10.365 -4.560 1.00 0.11 H new ATOM 0 HG LEU A 66 2.977 8.288 -2.673 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.875 6.882 -3.389 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.790 7.274 -4.744 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.341 8.128 -4.571 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.153 8.443 -1.513 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.635 9.760 -2.610 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.274 9.991 -1.486 1.00 0.08 H new ATOM 1029 N ASP A 67 1.349 12.602 -4.649 1.00 0.09 N ATOM 1030 CA ASP A 67 1.204 13.872 -5.335 1.00 0.10 C ATOM 1031 C ASP A 67 1.009 14.951 -4.280 1.00 0.11 C ATOM 1032 O ASP A 67 1.537 16.057 -4.399 1.00 0.13 O ATOM 1033 CB ASP A 67 0.030 13.848 -6.314 1.00 0.11 C ATOM 1034 CG ASP A 67 0.010 15.061 -7.223 1.00 0.12 C ATOM 1035 OD1 ASP A 67 -0.550 16.100 -6.815 1.00 0.17 O ATOM 1036 OD2 ASP A 67 0.554 14.973 -8.344 1.00 0.18 O ATOM 0 H ASP A 67 0.522 12.006 -4.673 1.00 0.09 H new ATOM 0 HA ASP A 67 2.097 14.076 -5.925 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.085 12.944 -6.920 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.905 13.801 -5.755 1.00 0.11 H new ATOM 1041 N THR A 68 0.238 14.613 -3.237 1.00 0.10 N ATOM 1042 CA THR A 68 0.013 15.543 -2.127 1.00 0.12 C ATOM 1043 C THR A 68 1.317 15.778 -1.363 1.00 0.13 C ATOM 1044 O THR A 68 2.366 15.252 -1.736 1.00 0.13 O ATOM 1045 CB THR A 68 -1.075 15.047 -1.137 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.671 16.168 -0.475 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.509 14.094 -0.089 1.00 0.13 C ATOM 0 H THR A 68 -0.234 13.714 -3.141 1.00 0.10 H new ATOM 0 HA THR A 68 -0.342 16.474 -2.569 1.00 0.12 H new ATOM 0 HB THR A 68 -1.820 14.504 -1.718 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.359 15.852 0.148 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.307 13.774 0.581 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.079 13.223 -0.584 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.265 14.603 0.486 1.00 0.13 H new ATOM 1055 N ASN A 69 1.244 16.566 -0.298 1.00 0.15 N ATOM 1056 CA ASN A 69 2.422 16.871 0.510 1.00 0.17 C ATOM 1057 C ASN A 69 2.310 16.287 1.918 1.00 0.18 C ATOM 1058 O ASN A 69 3.194 16.482 2.752 1.00 0.20 O ATOM 1059 CB ASN A 69 2.603 18.383 0.588 1.00 0.19 C ATOM 1060 CG ASN A 69 3.056 18.981 -0.730 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.236 19.368 -1.563 1.00 0.91 O ATOM 1062 ND2 ASN A 69 4.367 19.057 -0.927 1.00 1.16 N ATOM 0 H ASN A 69 0.383 17.006 0.028 1.00 0.15 H new ATOM 0 HA ASN A 69 3.289 16.415 0.032 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.662 18.844 0.888 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.334 18.619 1.361 1.00 0.19 H new ATOM 0 HD21 ASN A 69 4.730 19.448 -1.796 1.00 1.16 H new ATOM 0 HD22 ASN A 69 5.011 18.724 -0.209 1.00 1.16 H new ATOM 1069 N GLU A 70 1.221 15.572 2.174 1.00 0.17 N ATOM 1070 CA GLU A 70 0.978 14.966 3.482 1.00 0.19 C ATOM 1071 C GLU A 70 1.767 13.667 3.640 1.00 0.17 C ATOM 1072 O GLU A 70 1.849 12.873 2.705 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.516 14.679 3.644 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.410 15.765 3.064 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.683 16.884 4.049 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -0.888 17.847 4.090 1.00 0.76 O ATOM 1077 OE2 GLU A 70 -2.693 16.800 4.778 1.00 0.73 O ATOM 0 H GLU A 70 0.486 15.396 1.489 1.00 0.17 H new ATOM 0 HA GLU A 70 1.308 15.665 4.251 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.750 13.731 3.161 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.742 14.561 4.704 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.941 16.178 2.171 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.356 15.323 2.751 1.00 0.22 H new ATOM 1084 N THR A 71 2.346 13.451 4.825 1.00 0.12 N ATOM 1085 CA THR A 71 3.111 12.231 5.076 1.00 0.10 C ATOM 1086 C THR A 71 2.366 11.197 5.930 1.00 0.13 C ATOM 1087 O THR A 71 2.821 10.066 6.014 1.00 0.13 O ATOM 1088 CB THR A 71 4.473 12.499 5.732 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.307 13.283 6.921 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.407 13.208 4.767 1.00 0.11 C ATOM 0 H THR A 71 2.300 14.096 5.614 1.00 0.12 H new ATOM 0 HA THR A 71 3.261 11.819 4.078 1.00 0.10 H new ATOM 0 HB THR A 71 4.916 11.540 5.999 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.182 13.445 7.331 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.366 13.387 5.254 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.559 12.586 3.885 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.968 14.160 4.469 1.00 0.11 H new ATOM 1098 N PRO A 72 1.246 11.521 6.613 1.00 0.17 N ATOM 1099 CA PRO A 72 0.537 10.498 7.377 1.00 0.23 C ATOM 1100 C PRO A 72 0.306 9.287 6.494 1.00 0.17 C ATOM 1101 O PRO A 72 0.199 8.149 6.952 1.00 0.17 O ATOM 1102 CB PRO A 72 -0.795 11.156 7.715 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.510 12.612 7.710 1.00 0.32 C ATOM 1104 CD PRO A 72 0.591 12.837 6.708 1.00 0.18 C ATOM 0 HA PRO A 72 1.079 10.164 8.262 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.560 10.900 6.982 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.163 10.828 8.687 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.401 13.179 7.439 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.206 12.950 8.701 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.197 13.159 5.744 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.286 13.608 7.042 1.00 0.18 H new ATOM 1112 N TYR A 73 0.233 9.585 5.205 1.00 0.16 N ATOM 1113 CA TYR A 73 0.008 8.604 4.165 1.00 0.16 C ATOM 1114 C TYR A 73 1.316 7.992 3.637 1.00 0.13 C ATOM 1115 O TYR A 73 1.275 6.963 2.972 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.768 9.273 3.027 1.00 0.18 C ATOM 1117 CG TYR A 73 -1.968 10.075 3.496 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.700 9.692 4.615 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.366 11.220 2.818 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -3.792 10.424 5.041 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.456 11.959 3.238 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.166 11.556 4.349 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.252 12.288 4.772 1.00 0.50 O ATOM 0 H TYR A 73 0.331 10.536 4.850 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.566 7.780 4.588 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.095 9.931 2.478 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -1.105 8.507 2.329 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.410 8.806 5.161 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.814 11.539 1.946 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.349 10.111 5.911 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.750 12.847 2.699 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.381 13.056 4.177 1.00 0.50 H new ATOM 1133 N PHE A 74 2.472 8.624 3.906 1.00 0.11 N ATOM 1134 CA PHE A 74 3.751 8.098 3.403 1.00 0.10 C ATOM 1135 C PHE A 74 4.158 6.814 4.123 1.00 0.09 C ATOM 1136 O PHE A 74 4.644 5.872 3.495 1.00 0.08 O ATOM 1137 CB PHE A 74 4.861 9.183 3.390 1.00 0.11 C ATOM 1138 CG PHE A 74 5.783 9.311 4.589 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.361 9.084 5.887 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.101 9.696 4.386 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.231 9.231 6.954 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.972 9.848 5.446 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.536 9.614 6.732 1.00 0.17 C ATOM 0 H PHE A 74 2.547 9.480 4.456 1.00 0.11 H new ATOM 0 HA PHE A 74 3.605 7.818 2.360 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.484 9.005 2.514 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.375 10.148 3.245 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.339 8.788 6.070 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.451 9.880 3.381 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.887 9.045 7.961 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.994 10.150 5.268 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.215 9.730 7.564 1.00 0.17 H new ATOM 1153 N MET A 75 3.939 6.755 5.428 1.00 0.09 N ATOM 1154 CA MET A 75 4.244 5.544 6.168 1.00 0.09 C ATOM 1155 C MET A 75 3.138 4.554 5.872 1.00 0.09 C ATOM 1156 O MET A 75 3.351 3.342 5.793 1.00 0.11 O ATOM 1157 CB MET A 75 4.357 5.808 7.673 1.00 0.14 C ATOM 1158 CG MET A 75 3.763 7.131 8.129 1.00 0.30 C ATOM 1159 SD MET A 75 2.974 7.013 9.747 1.00 0.52 S ATOM 1160 CE MET A 75 2.590 8.733 10.069 1.00 1.81 C ATOM 0 H MET A 75 3.558 7.518 5.987 1.00 0.09 H new ATOM 0 HA MET A 75 5.212 5.150 5.859 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.862 4.998 8.209 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.409 5.780 7.956 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.549 7.885 8.166 1.00 0.30 H new ATOM 0 HG3 MET A 75 3.031 7.469 7.395 1.00 0.30 H new ATOM 0 HE1 MET A 75 3.038 9.035 11.016 1.00 1.81 H new ATOM 0 HE2 MET A 75 2.989 9.352 9.265 1.00 1.81 H new ATOM 0 HE3 MET A 75 1.509 8.861 10.122 1.00 1.81 H new ATOM 1170 N LYS A 76 1.947 5.106 5.690 1.00 0.09 N ATOM 1171 CA LYS A 76 0.785 4.321 5.342 1.00 0.10 C ATOM 1172 C LYS A 76 0.961 3.812 3.918 1.00 0.10 C ATOM 1173 O LYS A 76 0.387 2.796 3.526 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.477 5.172 5.469 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.748 4.450 5.067 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.532 5.234 4.028 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.692 5.528 2.794 1.00 0.33 C ATOM 1178 NZ LYS A 76 -2.518 6.033 1.662 1.00 0.96 N ATOM 0 H LYS A 76 1.766 6.106 5.780 1.00 0.09 H new ATOM 0 HA LYS A 76 0.681 3.473 6.019 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.573 5.509 6.501 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.366 6.063 4.851 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.498 3.466 4.669 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.370 4.289 5.948 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.419 4.670 3.739 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.879 6.171 4.464 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -0.929 6.265 3.043 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -1.171 4.621 2.486 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -2.119 5.694 0.763 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -3.493 5.685 1.761 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -2.519 7.073 1.670 1.00 0.96 H new ATOM 1192 N SER A 77 1.771 4.544 3.144 1.00 0.09 N ATOM 1193 CA SER A 77 2.077 4.150 1.779 1.00 0.09 C ATOM 1194 C SER A 77 2.966 2.936 1.859 1.00 0.08 C ATOM 1195 O SER A 77 2.761 1.948 1.158 1.00 0.09 O ATOM 1196 CB SER A 77 2.791 5.263 1.011 1.00 0.10 C ATOM 1197 OG SER A 77 4.196 5.160 1.146 1.00 0.10 O ATOM 0 H SER A 77 2.221 5.408 3.446 1.00 0.09 H new ATOM 0 HA SER A 77 1.152 3.939 1.243 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.520 5.212 -0.044 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.458 6.233 1.379 1.00 0.10 H new ATOM 0 HG SER A 77 4.501 5.757 1.861 1.00 0.10 H new ATOM 1203 N ILE A 78 3.968 3.028 2.729 1.00 0.09 N ATOM 1204 CA ILE A 78 4.860 1.914 2.954 1.00 0.09 C ATOM 1205 C ILE A 78 4.008 0.710 3.325 1.00 0.11 C ATOM 1206 O ILE A 78 4.282 -0.416 2.924 1.00 0.12 O ATOM 1207 CB ILE A 78 5.885 2.221 4.080 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.314 1.977 3.586 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.609 1.381 5.319 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.692 2.817 2.388 1.00 0.13 C ATOM 0 H ILE A 78 4.175 3.860 3.282 1.00 0.09 H new ATOM 0 HA ILE A 78 5.436 1.717 2.050 1.00 0.09 H new ATOM 0 HB ILE A 78 5.779 3.272 4.350 1.00 0.08 H new ATOM 0 HG12 ILE A 78 8.011 2.184 4.398 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.426 0.923 3.330 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.342 1.618 6.090 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.608 1.599 5.691 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.679 0.323 5.065 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.717 2.591 2.094 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.019 2.593 1.560 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.613 3.873 2.645 1.00 0.13 H new ATOM 1222 N ASP A 79 2.946 0.985 4.084 1.00 0.11 N ATOM 1223 CA ASP A 79 2.014 -0.047 4.512 1.00 0.13 C ATOM 1224 C ASP A 79 1.286 -0.653 3.316 1.00 0.13 C ATOM 1225 O ASP A 79 1.119 -1.869 3.243 1.00 0.16 O ATOM 1226 CB ASP A 79 1.013 0.531 5.512 1.00 0.13 C ATOM 1227 CG ASP A 79 1.486 0.402 6.947 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.189 -0.634 7.579 1.00 0.68 O ATOM 1229 OD2 ASP A 79 2.152 1.336 7.439 1.00 0.69 O ATOM 0 H ASP A 79 2.713 1.922 4.414 1.00 0.11 H new ATOM 0 HA ASP A 79 2.579 -0.841 5.000 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.841 1.583 5.283 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.057 0.020 5.401 1.00 0.13 H new ATOM 1234 N CYS A 80 0.836 0.192 2.388 1.00 0.14 N ATOM 1235 CA CYS A 80 0.160 -0.305 1.194 1.00 0.16 C ATOM 1236 C CYS A 80 1.114 -1.234 0.466 1.00 0.14 C ATOM 1237 O CYS A 80 0.732 -2.293 -0.054 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.234 0.837 0.262 1.00 0.23 C ATOM 1239 SG CYS A 80 1.024 1.223 -0.978 1.00 0.65 S ATOM 0 H CYS A 80 0.926 1.207 2.439 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.750 -0.826 1.491 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -1.164 0.578 -0.244 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.432 1.729 0.857 1.00 0.23 H new ATOM 0 HG CYS A 80 2.073 1.718 -0.392 1.00 0.65 H new ATOM 1245 N ILE A 81 2.373 -0.807 0.433 1.00 0.16 N ATOM 1246 CA ILE A 81 3.412 -1.582 -0.187 1.00 0.17 C ATOM 1247 C ILE A 81 3.472 -2.922 0.518 1.00 0.17 C ATOM 1248 O ILE A 81 3.621 -3.972 -0.100 1.00 0.19 O ATOM 1249 CB ILE A 81 4.782 -0.881 -0.092 1.00 0.18 C ATOM 1250 CG1 ILE A 81 4.901 0.203 -1.163 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.915 -1.888 -0.213 1.00 0.20 C ATOM 1252 CD1 ILE A 81 5.542 1.477 -0.659 1.00 0.32 C ATOM 0 H ILE A 81 2.687 0.077 0.834 1.00 0.16 H new ATOM 0 HA ILE A 81 3.185 -1.703 -1.246 1.00 0.17 H new ATOM 0 HB ILE A 81 4.858 -0.407 0.887 1.00 0.18 H new ATOM 0 HG12 ILE A 81 5.486 -0.184 -1.998 1.00 0.18 H new ATOM 0 HG13 ILE A 81 3.908 0.433 -1.549 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.871 -1.370 -0.143 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.839 -2.620 0.591 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.848 -2.397 -1.174 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.595 2.203 -1.470 1.00 0.32 H new ATOM 0 HD12 ILE A 81 4.946 1.887 0.156 1.00 0.32 H new ATOM 0 HD13 ILE A 81 6.548 1.261 -0.299 1.00 0.32 H new ATOM 1264 N ARG A 82 3.334 -2.849 1.838 1.00 0.18 N ATOM 1265 CA ARG A 82 3.333 -4.020 2.691 1.00 0.20 C ATOM 1266 C ARG A 82 2.071 -4.839 2.431 1.00 0.26 C ATOM 1267 O ARG A 82 2.032 -6.043 2.683 1.00 0.36 O ATOM 1268 CB ARG A 82 3.385 -3.586 4.161 1.00 0.18 C ATOM 1269 CG ARG A 82 4.773 -3.607 4.780 1.00 0.18 C ATOM 1270 CD ARG A 82 5.612 -2.407 4.365 1.00 0.16 C ATOM 1271 NE ARG A 82 6.970 -2.489 4.897 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.331 -1.999 6.081 1.00 0.92 C ATOM 1273 NH1 ARG A 82 6.442 -1.378 6.845 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.582 -2.129 6.501 1.00 0.85 N ATOM 0 H ARG A 82 3.220 -1.970 2.343 1.00 0.18 H new ATOM 0 HA ARG A 82 4.207 -4.633 2.471 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.981 -2.577 4.242 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.733 -4.238 4.742 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.683 -3.626 5.866 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.285 -4.524 4.487 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.650 -2.348 3.277 1.00 0.16 H new ATOM 0 HD3 ARG A 82 5.137 -1.491 4.718 1.00 0.16 H new ATOM 0 HE ARG A 82 7.682 -2.948 4.329 1.00 0.33 H new ATOM 0 HH11 ARG A 82 5.479 -1.275 6.526 1.00 2.05 H new ATOM 0 HH12 ARG A 82 6.722 -1.004 7.752 1.00 2.05 H new ATOM 0 HH21 ARG A 82 9.269 -2.605 5.917 1.00 0.85 H new ATOM 0 HH22 ARG A 82 8.857 -1.753 7.408 1.00 0.85 H new ATOM 1288 N ALA A 83 1.040 -4.162 1.921 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.234 -4.804 1.618 1.00 0.27 C ATOM 1290 C ALA A 83 -0.101 -5.782 0.465 1.00 0.31 C ATOM 1291 O ALA A 83 -0.368 -6.974 0.620 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.291 -3.769 1.281 1.00 0.25 C ATOM 0 H ALA A 83 1.066 -3.165 1.709 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.538 -5.354 2.509 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.233 -4.270 1.058 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.428 -3.099 2.130 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -0.972 -3.193 0.412 1.00 0.25 H new ATOM 1298 N PHE A 84 0.312 -5.278 -0.697 1.00 0.30 N ATOM 1299 CA PHE A 84 0.463 -6.148 -1.860 1.00 0.40 C ATOM 1300 C PHE A 84 1.730 -6.982 -1.759 1.00 0.36 C ATOM 1301 O PHE A 84 1.899 -7.962 -2.484 1.00 0.36 O ATOM 1302 CB PHE A 84 0.409 -5.372 -3.187 1.00 0.65 C ATOM 1303 CG PHE A 84 1.330 -4.191 -3.302 1.00 1.18 C ATOM 1304 CD1 PHE A 84 2.665 -4.280 -2.954 1.00 2.05 C ATOM 1305 CD2 PHE A 84 0.848 -2.990 -3.790 1.00 2.00 C ATOM 1306 CE1 PHE A 84 3.498 -3.190 -3.089 1.00 3.01 C ATOM 1307 CE2 PHE A 84 1.677 -1.895 -3.924 1.00 3.01 C ATOM 1308 CZ PHE A 84 3.004 -1.995 -3.574 1.00 3.37 C ATOM 0 H PHE A 84 0.543 -4.297 -0.856 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.391 -6.826 -1.860 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.636 -6.064 -3.998 1.00 0.65 H new ATOM 0 HB3 PHE A 84 -0.613 -5.026 -3.340 1.00 0.65 H new ATOM 0 HD1 PHE A 84 3.058 -5.211 -2.573 1.00 2.05 H new ATOM 0 HD2 PHE A 84 -0.192 -2.908 -4.070 1.00 2.00 H new ATOM 0 HE1 PHE A 84 4.539 -3.271 -2.815 1.00 3.01 H new ATOM 0 HE2 PHE A 84 1.285 -0.962 -4.302 1.00 3.01 H new ATOM 0 HZ PHE A 84 3.657 -1.141 -3.678 1.00 3.37 H new ATOM 1318 N ARG A 85 2.625 -6.585 -0.861 1.00 0.39 N ATOM 1319 CA ARG A 85 3.870 -7.307 -0.663 1.00 0.43 C ATOM 1320 C ARG A 85 3.598 -8.753 -0.255 1.00 0.38 C ATOM 1321 O ARG A 85 3.954 -9.692 -0.968 1.00 0.37 O ATOM 1322 CB ARG A 85 4.712 -6.630 0.419 1.00 0.56 C ATOM 1323 CG ARG A 85 5.920 -5.881 -0.116 1.00 0.88 C ATOM 1324 CD ARG A 85 6.644 -5.149 1.001 1.00 0.72 C ATOM 1325 NE ARG A 85 6.910 -6.022 2.141 1.00 1.07 N ATOM 1326 CZ ARG A 85 7.829 -5.770 3.066 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.582 -4.682 2.978 1.00 1.31 N ATOM 1328 NH2 ARG A 85 8.001 -6.610 4.078 1.00 1.75 N ATOM 0 H ARG A 85 2.509 -5.768 -0.261 1.00 0.39 H new ATOM 0 HA ARG A 85 4.415 -7.299 -1.607 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.082 -5.934 0.973 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.051 -7.386 1.127 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.602 -6.581 -0.599 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.603 -5.168 -0.877 1.00 0.88 H new ATOM 0 HD2 ARG A 85 7.585 -4.749 0.623 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.044 -4.299 1.327 1.00 0.72 H new ATOM 0 HE ARG A 85 6.358 -6.875 2.232 1.00 1.07 H new ATOM 0 HH11 ARG A 85 8.456 -4.036 2.199 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.287 -4.491 3.690 1.00 1.31 H new ATOM 0 HH21 ARG A 85 7.427 -7.450 4.146 1.00 1.75 H new ATOM 0 HH22 ARG A 85 8.707 -6.415 4.788 1.00 1.75 H new ATOM 1342 N GLU A 86 2.955 -8.917 0.898 1.00 0.38 N ATOM 1343 CA GLU A 86 2.631 -10.238 1.422 1.00 0.36 C ATOM 1344 C GLU A 86 1.625 -10.953 0.528 1.00 0.31 C ATOM 1345 O GLU A 86 1.759 -12.149 0.263 1.00 0.44 O ATOM 1346 CB GLU A 86 2.072 -10.122 2.841 1.00 0.41 C ATOM 1347 CG GLU A 86 3.046 -9.501 3.827 1.00 1.13 C ATOM 1348 CD GLU A 86 2.432 -9.295 5.199 1.00 1.53 C ATOM 1349 OE1 GLU A 86 2.455 -10.247 6.008 1.00 1.91 O ATOM 1350 OE2 GLU A 86 1.929 -8.184 5.463 1.00 1.89 O ATOM 0 H GLU A 86 2.647 -8.145 1.490 1.00 0.38 H new ATOM 0 HA GLU A 86 3.550 -10.825 1.443 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.161 -9.524 2.816 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.792 -11.114 3.195 1.00 0.41 H new ATOM 0 HG2 GLU A 86 3.924 -10.141 3.918 1.00 1.13 H new ATOM 0 HG3 GLU A 86 3.389 -8.542 3.439 1.00 1.13 H new ATOM 1357 N GLU A 87 0.616 -10.221 0.068 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.410 -10.794 -0.794 1.00 0.15 C ATOM 1359 C GLU A 87 0.210 -11.429 -2.034 1.00 0.14 C ATOM 1360 O GLU A 87 -0.183 -12.519 -2.440 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.426 -9.728 -1.212 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.358 -9.294 -0.090 1.00 0.24 C ATOM 1363 CD GLU A 87 -3.101 -10.457 0.538 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -4.182 -10.818 0.027 1.00 1.83 O ATOM 1365 OE2 GLU A 87 -2.601 -11.009 1.541 1.00 1.06 O ATOM 0 H GLU A 87 0.487 -9.231 0.278 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.924 -11.568 -0.225 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.890 -8.855 -1.585 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -2.023 -10.113 -2.039 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -1.780 -8.780 0.678 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.079 -8.576 -0.480 1.00 0.24 H new ATOM 1372 N ALA A 88 1.187 -10.747 -2.625 1.00 0.18 N ATOM 1373 CA ALA A 88 1.848 -11.253 -3.821 1.00 0.17 C ATOM 1374 C ALA A 88 2.479 -12.617 -3.569 1.00 0.17 C ATOM 1375 O ALA A 88 2.436 -13.494 -4.431 1.00 0.18 O ATOM 1376 CB ALA A 88 2.893 -10.270 -4.317 1.00 0.19 C ATOM 0 H ALA A 88 1.536 -9.847 -2.296 1.00 0.18 H new ATOM 0 HA ALA A 88 1.088 -11.370 -4.593 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.373 -10.669 -5.210 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.415 -9.320 -4.556 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.643 -10.114 -3.541 1.00 0.19 H new ATOM 1382 N ILE A 89 3.068 -12.791 -2.391 1.00 0.20 N ATOM 1383 CA ILE A 89 3.691 -14.060 -2.041 1.00 0.23 C ATOM 1384 C ILE A 89 2.654 -15.179 -2.081 1.00 0.24 C ATOM 1385 O ILE A 89 2.952 -16.308 -2.471 1.00 0.31 O ATOM 1386 CB ILE A 89 4.365 -14.001 -0.645 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.766 -14.621 -0.700 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.517 -14.695 0.416 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.778 -16.076 -1.125 1.00 1.52 C ATOM 0 H ILE A 89 3.127 -12.074 -1.668 1.00 0.20 H new ATOM 0 HA ILE A 89 4.471 -14.264 -2.775 1.00 0.23 H new ATOM 0 HB ILE A 89 4.455 -12.952 -0.364 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.380 -14.045 -1.392 1.00 0.74 H new ATOM 0 HG13 ILE A 89 6.229 -14.536 0.283 1.00 0.74 H new ATOM 0 HG21 ILE A 89 4.020 -14.634 1.381 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.545 -14.206 0.482 1.00 0.60 H new ATOM 0 HG23 ILE A 89 3.379 -15.742 0.144 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.804 -16.442 -1.140 1.00 1.52 H new ATOM 0 HD12 ILE A 89 5.192 -16.666 -0.420 1.00 1.52 H new ATOM 0 HD13 ILE A 89 5.346 -16.168 -2.122 1.00 1.52 H new ATOM 1401 N LYS A 90 1.430 -14.849 -1.671 1.00 0.24 N ATOM 1402 CA LYS A 90 0.337 -15.810 -1.662 1.00 0.29 C ATOM 1403 C LYS A 90 -0.373 -15.831 -3.014 1.00 0.30 C ATOM 1404 O LYS A 90 -1.074 -16.787 -3.347 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.661 -15.466 -0.554 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.026 -15.340 0.823 1.00 0.33 C ATOM 1407 CD LYS A 90 0.502 -16.676 1.325 1.00 0.66 C ATOM 1408 CE LYS A 90 -0.630 -17.647 1.625 1.00 1.74 C ATOM 1409 NZ LYS A 90 -0.123 -18.948 2.141 1.00 2.42 N ATOM 0 H LYS A 90 1.174 -13.919 -1.340 1.00 0.24 H new ATOM 0 HA LYS A 90 0.753 -16.800 -1.472 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.158 -14.528 -0.803 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.432 -16.236 -0.520 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.790 -14.618 0.783 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.761 -14.951 1.528 1.00 0.33 H new ATOM 0 HD2 LYS A 90 1.166 -17.110 0.577 1.00 0.66 H new ATOM 0 HD3 LYS A 90 1.096 -16.518 2.226 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.304 -17.204 2.358 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -1.212 -17.818 0.719 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -0.925 -19.582 2.333 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 0.500 -19.384 1.432 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 0.411 -18.789 3.019 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.183 -14.764 -3.789 1.00 0.18 N ATOM 1424 CA PHE A 91 -0.804 -14.641 -5.104 1.00 0.19 C ATOM 1425 C PHE A 91 0.138 -15.095 -6.219 1.00 0.20 C ATOM 1426 O PHE A 91 -0.234 -15.108 -7.392 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.285 -13.207 -5.331 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.714 -13.011 -4.914 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -3.745 -13.278 -5.801 1.00 0.83 C ATOM 1430 CD2 PHE A 91 -3.029 -12.577 -3.637 1.00 0.73 C ATOM 1431 CE1 PHE A 91 -5.063 -13.115 -5.420 1.00 0.90 C ATOM 1432 CE2 PHE A 91 -4.345 -12.411 -3.251 1.00 0.74 C ATOM 1433 CZ PHE A 91 -5.363 -12.682 -4.145 1.00 0.43 C ATOM 0 H PHE A 91 0.400 -13.969 -3.526 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.669 -15.303 -5.132 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.649 -12.520 -4.773 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.179 -12.954 -6.386 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -3.516 -13.617 -6.800 1.00 0.83 H new ATOM 0 HD2 PHE A 91 -2.236 -12.366 -2.935 1.00 0.73 H new ATOM 0 HE1 PHE A 91 -5.858 -13.326 -6.120 1.00 0.90 H new ATOM 0 HE2 PHE A 91 -4.578 -12.070 -2.253 1.00 0.74 H new ATOM 0 HZ PHE A 91 -6.393 -12.555 -3.846 1.00 0.43 H new ATOM 1443 N SER A 92 1.357 -15.472 -5.838 1.00 0.20 N ATOM 1444 CA SER A 92 2.360 -15.958 -6.788 1.00 0.23 C ATOM 1445 C SER A 92 2.733 -14.910 -7.840 1.00 0.27 C ATOM 1446 O SER A 92 2.976 -15.248 -8.998 1.00 0.61 O ATOM 1447 CB SER A 92 1.858 -17.227 -7.478 1.00 0.24 C ATOM 1448 OG SER A 92 1.613 -18.257 -6.536 1.00 0.25 O ATOM 0 H SER A 92 1.677 -15.450 -4.870 1.00 0.20 H new ATOM 0 HA SER A 92 3.261 -16.176 -6.215 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.943 -17.008 -8.028 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.595 -17.564 -8.207 1.00 0.24 H new ATOM 0 HG SER A 92 1.291 -19.057 -7.002 1.00 0.25 H new ATOM 1454 N GLU A 93 2.787 -13.645 -7.436 1.00 0.20 N ATOM 1455 CA GLU A 93 3.153 -12.568 -8.355 1.00 0.18 C ATOM 1456 C GLU A 93 4.539 -12.018 -8.027 1.00 0.18 C ATOM 1457 O GLU A 93 4.688 -11.158 -7.157 1.00 0.19 O ATOM 1458 CB GLU A 93 2.117 -11.440 -8.321 1.00 0.19 C ATOM 1459 CG GLU A 93 1.005 -11.601 -9.346 1.00 0.27 C ATOM 1460 CD GLU A 93 0.197 -12.867 -9.151 1.00 0.74 C ATOM 1461 OE1 GLU A 93 0.633 -13.930 -9.638 1.00 0.96 O ATOM 1462 OE2 GLU A 93 -0.876 -12.794 -8.518 1.00 1.46 O ATOM 0 H GLU A 93 2.584 -13.339 -6.484 1.00 0.20 H new ATOM 0 HA GLU A 93 3.175 -12.987 -9.361 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.677 -11.393 -7.325 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.622 -10.489 -8.492 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.339 -10.740 -9.290 1.00 0.27 H new ATOM 0 HG3 GLU A 93 1.438 -11.604 -10.346 1.00 0.27 H new ATOM 1469 N GLU A 94 5.552 -12.528 -8.724 1.00 0.21 N ATOM 1470 CA GLU A 94 6.929 -12.098 -8.509 1.00 0.24 C ATOM 1471 C GLU A 94 7.255 -10.850 -9.326 1.00 0.25 C ATOM 1472 O GLU A 94 7.850 -9.902 -8.814 1.00 0.31 O ATOM 1473 CB GLU A 94 7.900 -13.224 -8.865 1.00 0.28 C ATOM 1474 CG GLU A 94 7.755 -13.729 -10.292 1.00 0.33 C ATOM 1475 CD GLU A 94 8.720 -14.853 -10.612 1.00 0.92 C ATOM 1476 OE1 GLU A 94 9.857 -14.557 -11.036 1.00 1.53 O ATOM 1477 OE2 GLU A 94 8.339 -16.031 -10.438 1.00 1.46 O ATOM 0 H GLU A 94 5.443 -13.242 -9.444 1.00 0.21 H new ATOM 0 HA GLU A 94 7.039 -11.851 -7.453 1.00 0.24 H new ATOM 0 HB2 GLU A 94 8.921 -12.872 -8.716 1.00 0.28 H new ATOM 0 HB3 GLU A 94 7.746 -14.056 -8.177 1.00 0.28 H new ATOM 0 HG2 GLU A 94 6.734 -14.076 -10.449 1.00 0.33 H new ATOM 0 HG3 GLU A 94 7.921 -12.904 -10.984 1.00 0.33 H new ATOM 1484 N GLN A 95 6.866 -10.856 -10.598 1.00 0.25 N ATOM 1485 CA GLN A 95 7.123 -9.722 -11.479 1.00 0.28 C ATOM 1486 C GLN A 95 6.450 -8.464 -10.944 1.00 0.23 C ATOM 1487 O GLN A 95 7.027 -7.376 -10.971 1.00 0.20 O ATOM 1488 CB GLN A 95 6.625 -10.023 -12.895 1.00 0.33 C ATOM 1489 CG GLN A 95 5.149 -10.383 -12.959 1.00 0.73 C ATOM 1490 CD GLN A 95 4.671 -10.638 -14.376 1.00 0.78 C ATOM 1491 OE1 GLN A 95 5.432 -11.092 -15.229 1.00 1.54 O ATOM 1492 NE2 GLN A 95 3.402 -10.340 -14.631 1.00 1.03 N ATOM 0 H GLN A 95 6.373 -11.632 -11.040 1.00 0.25 H new ATOM 0 HA GLN A 95 8.199 -9.553 -11.513 1.00 0.28 H new ATOM 0 HB2 GLN A 95 6.806 -9.153 -13.527 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.209 -10.845 -13.309 1.00 0.33 H new ATOM 0 HG2 GLN A 95 4.969 -11.271 -12.354 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.563 -9.575 -12.522 1.00 0.73 H new ATOM 0 HE21 GLN A 95 2.808 -9.965 -13.892 1.00 1.03 H new ATOM 0 HE22 GLN A 95 3.022 -10.486 -15.566 1.00 1.03 H new ATOM 1501 N ARG A 96 5.227 -8.624 -10.451 1.00 0.25 N ATOM 1502 CA ARG A 96 4.470 -7.510 -9.900 1.00 0.22 C ATOM 1503 C ARG A 96 5.240 -6.860 -8.759 1.00 0.20 C ATOM 1504 O ARG A 96 5.024 -5.691 -8.437 1.00 0.26 O ATOM 1505 CB ARG A 96 3.107 -7.998 -9.400 1.00 0.25 C ATOM 1506 CG ARG A 96 1.921 -7.319 -10.070 1.00 0.95 C ATOM 1507 CD ARG A 96 1.582 -5.993 -9.406 1.00 0.63 C ATOM 1508 NE ARG A 96 2.592 -4.972 -9.666 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.315 -3.676 -9.782 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.065 -3.248 -9.668 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.289 -2.807 -10.015 1.00 2.99 N ATOM 0 H ARG A 96 4.738 -9.519 -10.422 1.00 0.25 H new ATOM 0 HA ARG A 96 4.317 -6.770 -10.685 1.00 0.22 H new ATOM 0 HB2 ARG A 96 3.036 -9.073 -9.563 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.046 -7.834 -8.324 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.145 -7.151 -11.123 1.00 0.95 H new ATOM 0 HG3 ARG A 96 1.054 -7.978 -10.030 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.614 -5.645 -9.767 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.486 -6.141 -8.330 1.00 0.63 H new ATOM 0 HE ARG A 96 3.563 -5.268 -9.764 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.312 -3.913 -9.491 1.00 2.57 H new ATOM 0 HH12 ARG A 96 0.856 -2.254 -9.757 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.252 -3.132 -10.105 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.076 -1.814 -10.104 1.00 2.99 H new ATOM 1525 N PHE A 97 6.151 -7.621 -8.158 1.00 0.27 N ATOM 1526 CA PHE A 97 6.945 -7.117 -7.051 1.00 0.31 C ATOM 1527 C PHE A 97 7.996 -6.128 -7.543 1.00 0.25 C ATOM 1528 O PHE A 97 7.989 -4.956 -7.155 1.00 0.22 O ATOM 1529 CB PHE A 97 7.612 -8.270 -6.298 1.00 0.45 C ATOM 1530 CG PHE A 97 7.975 -7.938 -4.875 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.982 -7.028 -4.594 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.307 -8.540 -3.820 1.00 1.29 C ATOM 1533 CE1 PHE A 97 9.316 -6.725 -3.288 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.636 -8.240 -2.513 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.643 -7.332 -2.245 1.00 0.67 C ATOM 0 H PHE A 97 6.354 -8.585 -8.421 1.00 0.27 H new ATOM 0 HA PHE A 97 6.277 -6.595 -6.366 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.942 -9.129 -6.301 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.514 -8.567 -6.833 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.512 -6.550 -5.405 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.520 -9.252 -4.023 1.00 1.29 H new ATOM 0 HE1 PHE A 97 10.103 -6.014 -3.082 1.00 0.92 H new ATOM 0 HE2 PHE A 97 7.107 -8.715 -1.700 1.00 1.39 H new ATOM 0 HZ PHE A 97 8.903 -7.098 -1.223 1.00 0.67 H new ATOM 1545 N ASN A 98 8.894 -6.596 -8.403 1.00 0.28 N ATOM 1546 CA ASN A 98 9.930 -5.732 -8.945 1.00 0.26 C ATOM 1547 C ASN A 98 9.298 -4.627 -9.768 1.00 0.21 C ATOM 1548 O ASN A 98 9.915 -3.596 -10.024 1.00 0.21 O ATOM 1549 CB ASN A 98 10.919 -6.529 -9.801 1.00 0.34 C ATOM 1550 CG ASN A 98 10.228 -7.456 -10.778 1.00 0.43 C ATOM 1551 OD1 ASN A 98 10.022 -8.701 -10.364 1.00 1.03 O flip ATOM 1552 ND2 ASN A 98 9.888 -7.062 -11.894 1.00 1.22 N flip ATOM 0 H ASN A 98 8.924 -7.560 -8.736 1.00 0.28 H new ATOM 0 HA ASN A 98 10.482 -5.292 -8.114 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.557 -5.837 -10.351 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.569 -7.113 -9.150 1.00 0.34 H new ATOM 0 HD21 ASN A 98 10.066 -6.096 -12.170 1.00 1.22 H new ATOM 0 HD22 ASN A 98 9.428 -7.701 -12.542 1.00 1.22 H new ATOM 1559 N ASN A 99 8.057 -4.846 -10.183 1.00 0.18 N ATOM 1560 CA ASN A 99 7.349 -3.857 -10.972 1.00 0.20 C ATOM 1561 C ASN A 99 6.882 -2.699 -10.103 1.00 0.19 C ATOM 1562 O ASN A 99 7.176 -1.546 -10.404 1.00 0.24 O ATOM 1563 CB ASN A 99 6.159 -4.493 -11.693 1.00 0.22 C ATOM 1564 CG ASN A 99 5.429 -3.509 -12.589 1.00 0.63 C ATOM 1565 OD1 ASN A 99 6.166 -2.562 -13.160 1.00 1.41 O flip ATOM 1566 ND2 ASN A 99 4.215 -3.603 -12.772 1.00 1.14 N flip ATOM 0 H ASN A 99 7.526 -5.695 -9.986 1.00 0.18 H new ATOM 0 HA ASN A 99 8.040 -3.467 -11.719 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.508 -5.334 -12.291 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.463 -4.893 -10.956 1.00 0.22 H new ATOM 0 HD21 ASN A 99 3.686 -4.345 -12.314 1.00 1.14 H new ATOM 0 HD22 ASN A 99 3.738 -2.939 -13.382 1.00 1.14 H new ATOM 1573 N PHE A 100 6.169 -2.995 -9.018 1.00 0.18 N ATOM 1574 CA PHE A 100 5.683 -1.934 -8.144 1.00 0.23 C ATOM 1575 C PHE A 100 6.843 -1.211 -7.498 1.00 0.18 C ATOM 1576 O PHE A 100 6.780 -0.011 -7.251 1.00 0.21 O ATOM 1577 CB PHE A 100 4.734 -2.483 -7.058 1.00 0.38 C ATOM 1578 CG PHE A 100 5.426 -3.104 -5.860 1.00 1.36 C ATOM 1579 CD1 PHE A 100 6.120 -2.321 -4.946 1.00 1.99 C ATOM 1580 CD2 PHE A 100 5.377 -4.470 -5.648 1.00 2.09 C ATOM 1581 CE1 PHE A 100 6.750 -2.887 -3.854 1.00 2.95 C ATOM 1582 CE2 PHE A 100 6.003 -5.042 -4.554 1.00 3.08 C ATOM 1583 CZ PHE A 100 6.692 -4.250 -3.658 1.00 3.43 C ATOM 0 H PHE A 100 5.920 -3.941 -8.728 1.00 0.18 H new ATOM 0 HA PHE A 100 5.120 -1.233 -8.760 1.00 0.23 H new ATOM 0 HB2 PHE A 100 4.095 -1.671 -6.710 1.00 0.38 H new ATOM 0 HB3 PHE A 100 4.082 -3.230 -7.510 1.00 0.38 H new ATOM 0 HD1 PHE A 100 6.168 -1.252 -5.091 1.00 1.99 H new ATOM 0 HD2 PHE A 100 4.843 -5.099 -6.345 1.00 2.09 H new ATOM 0 HE1 PHE A 100 7.287 -2.262 -3.155 1.00 2.95 H new ATOM 0 HE2 PHE A 100 5.952 -6.110 -4.401 1.00 3.08 H new ATOM 0 HZ PHE A 100 7.184 -4.697 -2.807 1.00 3.43 H new ATOM 1593 N LEU A 101 7.904 -1.953 -7.225 1.00 0.18 N ATOM 1594 CA LEU A 101 9.067 -1.389 -6.576 1.00 0.21 C ATOM 1595 C LEU A 101 9.869 -0.516 -7.514 1.00 0.20 C ATOM 1596 O LEU A 101 10.186 0.628 -7.185 1.00 0.21 O ATOM 1597 CB LEU A 101 9.940 -2.515 -6.027 1.00 0.28 C ATOM 1598 CG LEU A 101 11.017 -2.122 -5.004 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.720 -0.782 -4.341 1.00 0.92 C ATOM 1600 CD2 LEU A 101 11.116 -3.224 -3.962 1.00 0.92 C ATOM 0 H LEU A 101 7.980 -2.946 -7.444 1.00 0.18 H new ATOM 0 HA LEU A 101 8.723 -0.755 -5.758 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.288 -3.256 -5.565 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.432 -3.004 -6.868 1.00 0.28 H new ATOM 0 HG LEU A 101 11.968 -2.006 -5.524 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.509 -0.547 -3.626 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.675 -0.002 -5.101 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.764 -0.837 -3.821 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.877 -2.962 -3.227 1.00 0.92 H new ATOM 0 HD22 LEU A 101 10.154 -3.341 -3.463 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.389 -4.161 -4.448 1.00 0.92 H new ATOM 1612 N LYS A 102 10.192 -1.037 -8.689 1.00 0.20 N ATOM 1613 CA LYS A 102 10.981 -0.266 -9.621 1.00 0.23 C ATOM 1614 C LYS A 102 10.144 0.840 -10.217 1.00 0.22 C ATOM 1615 O LYS A 102 10.678 1.833 -10.712 1.00 0.26 O ATOM 1616 CB LYS A 102 11.576 -1.145 -10.729 1.00 0.27 C ATOM 1617 CG LYS A 102 12.546 -2.222 -10.244 1.00 0.28 C ATOM 1618 CD LYS A 102 13.426 -1.744 -9.097 1.00 0.33 C ATOM 1619 CE LYS A 102 12.843 -2.146 -7.766 1.00 1.44 C ATOM 1620 NZ LYS A 102 12.798 -3.625 -7.595 1.00 2.40 N ATOM 0 H LYS A 102 9.925 -1.968 -9.009 1.00 0.20 H new ATOM 0 HA LYS A 102 11.814 0.171 -9.070 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.760 -1.627 -11.268 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.094 -0.504 -11.442 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.981 -3.097 -9.923 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.178 -2.538 -11.074 1.00 0.28 H new ATOM 0 HD2 LYS A 102 14.426 -2.164 -9.202 1.00 0.33 H new ATOM 0 HD3 LYS A 102 13.529 -0.660 -9.140 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.436 -1.707 -6.964 1.00 1.44 H new ATOM 0 HE3 LYS A 102 11.835 -1.741 -7.675 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 12.535 -3.853 -6.615 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 12.094 -4.028 -8.245 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 13.734 -4.027 -7.805 1.00 2.40 H new ATOM 1634 N ALA A 103 8.827 0.683 -10.153 1.00 0.19 N ATOM 1635 CA ALA A 103 7.954 1.693 -10.698 1.00 0.21 C ATOM 1636 C ALA A 103 7.724 2.809 -9.696 1.00 0.18 C ATOM 1637 O ALA A 103 7.809 3.990 -10.041 1.00 0.20 O ATOM 1638 CB ALA A 103 6.630 1.099 -11.159 1.00 0.24 C ATOM 0 H ALA A 103 8.356 -0.120 -9.736 1.00 0.19 H new ATOM 0 HA ALA A 103 8.448 2.115 -11.573 1.00 0.21 H new ATOM 0 HB1 ALA A 103 5.998 1.889 -11.564 1.00 0.24 H new ATOM 0 HB2 ALA A 103 6.815 0.352 -11.931 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.127 0.630 -10.313 1.00 0.24 H new ATOM 1644 N LEU A 104 7.445 2.448 -8.448 1.00 0.16 N ATOM 1645 CA LEU A 104 7.224 3.461 -7.436 1.00 0.16 C ATOM 1646 C LEU A 104 8.507 4.248 -7.238 1.00 0.16 C ATOM 1647 O LEU A 104 8.472 5.466 -7.087 1.00 0.16 O ATOM 1648 CB LEU A 104 6.728 2.856 -6.110 1.00 0.19 C ATOM 1649 CG LEU A 104 7.737 2.014 -5.321 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.666 2.893 -4.502 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.009 1.036 -4.412 1.00 0.24 C ATOM 0 H LEU A 104 7.369 1.484 -8.123 1.00 0.16 H new ATOM 0 HA LEU A 104 6.435 4.131 -7.778 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.389 3.670 -5.470 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.858 2.235 -6.323 1.00 0.19 H new ATOM 0 HG LEU A 104 8.341 1.456 -6.037 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.370 2.267 -3.954 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.215 3.560 -5.166 1.00 0.23 H new ATOM 0 HD13 LEU A 104 8.081 3.484 -3.797 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.737 0.444 -3.857 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.381 1.588 -3.712 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.386 0.374 -5.014 1.00 0.24 H new ATOM 1663 N GLN A 105 9.643 3.547 -7.279 1.00 0.18 N ATOM 1664 CA GLN A 105 10.934 4.196 -7.112 1.00 0.22 C ATOM 1665 C GLN A 105 11.267 5.068 -8.309 1.00 0.24 C ATOM 1666 O GLN A 105 11.572 6.249 -8.146 1.00 0.26 O ATOM 1667 CB GLN A 105 12.031 3.164 -6.863 1.00 0.27 C ATOM 1668 CG GLN A 105 13.394 3.546 -7.424 1.00 0.35 C ATOM 1669 CD GLN A 105 13.924 4.849 -6.856 1.00 1.13 C ATOM 1670 OE1 GLN A 105 13.588 5.233 -5.740 1.00 1.76 O ATOM 1671 NE2 GLN A 105 14.759 5.535 -7.628 1.00 1.92 N ATOM 0 H GLN A 105 9.690 2.539 -7.425 1.00 0.18 H new ATOM 0 HA GLN A 105 10.874 4.843 -6.237 1.00 0.22 H new ATOM 0 HB2 GLN A 105 12.126 3.004 -5.789 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.725 2.214 -7.301 1.00 0.27 H new ATOM 0 HG2 GLN A 105 14.105 2.748 -7.212 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.324 3.630 -8.508 1.00 0.35 H new ATOM 0 HE21 GLN A 105 15.011 5.178 -8.550 1.00 1.92 H new ATOM 0 HE22 GLN A 105 15.148 6.419 -7.299 1.00 1.92 H new ATOM 1680 N GLU A 106 11.226 4.498 -9.512 1.00 0.25 N ATOM 1681 CA GLU A 106 11.511 5.288 -10.698 1.00 0.29 C ATOM 1682 C GLU A 106 10.660 6.545 -10.652 1.00 0.29 C ATOM 1683 O GLU A 106 11.072 7.608 -11.110 1.00 0.35 O ATOM 1684 CB GLU A 106 11.236 4.500 -11.980 1.00 0.31 C ATOM 1685 CG GLU A 106 9.761 4.297 -12.260 1.00 0.29 C ATOM 1686 CD GLU A 106 9.505 3.665 -13.614 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.463 2.419 -13.689 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.346 4.415 -14.599 1.00 0.41 O ATOM 0 H GLU A 106 11.004 3.518 -9.685 1.00 0.25 H new ATOM 0 HA GLU A 106 12.569 5.549 -10.707 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.689 5.023 -12.822 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.722 3.527 -11.910 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.331 3.666 -11.482 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.250 5.258 -12.210 1.00 0.29 H new ATOM 1695 N LYS A 107 9.465 6.414 -10.071 1.00 0.23 N ATOM 1696 CA LYS A 107 8.568 7.543 -9.936 1.00 0.23 C ATOM 1697 C LYS A 107 9.135 8.552 -8.935 1.00 0.24 C ATOM 1698 O LYS A 107 9.150 9.753 -9.205 1.00 0.30 O ATOM 1699 CB LYS A 107 7.180 7.074 -9.497 1.00 0.22 C ATOM 1700 CG LYS A 107 6.256 8.209 -9.084 1.00 0.62 C ATOM 1701 CD LYS A 107 4.888 7.698 -8.662 1.00 1.05 C ATOM 1702 CE LYS A 107 4.991 6.663 -7.552 1.00 1.11 C ATOM 1703 NZ LYS A 107 6.002 7.046 -6.529 1.00 2.14 N ATOM 0 H LYS A 107 9.106 5.538 -9.691 1.00 0.23 H new ATOM 0 HA LYS A 107 8.474 8.031 -10.906 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.718 6.519 -10.314 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.287 6.382 -8.662 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.707 8.763 -8.261 1.00 0.62 H new ATOM 0 HG3 LYS A 107 6.143 8.906 -9.914 1.00 0.62 H new ATOM 0 HD2 LYS A 107 4.276 8.534 -8.324 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.382 7.260 -9.522 1.00 1.05 H new ATOM 0 HE2 LYS A 107 4.018 6.544 -7.075 1.00 1.11 H new ATOM 0 HE3 LYS A 107 5.256 5.696 -7.980 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 5.797 6.553 -5.637 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 6.951 6.780 -6.862 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 5.966 8.074 -6.373 1.00 2.14 H new ATOM 1717 N VAL A 108 9.599 8.065 -7.774 1.00 0.22 N ATOM 1718 CA VAL A 108 10.181 8.956 -6.769 1.00 0.26 C ATOM 1719 C VAL A 108 11.391 9.668 -7.366 1.00 0.33 C ATOM 1720 O VAL A 108 11.798 10.730 -6.902 1.00 0.40 O ATOM 1721 CB VAL A 108 10.608 8.222 -5.464 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.696 7.053 -5.148 1.00 0.22 C ATOM 1723 CG2 VAL A 108 12.062 7.775 -5.526 1.00 0.28 C ATOM 0 H VAL A 108 9.582 7.079 -7.514 1.00 0.22 H new ATOM 0 HA VAL A 108 9.404 9.668 -6.491 1.00 0.26 H new ATOM 0 HB VAL A 108 10.512 8.942 -4.651 1.00 0.26 H new ATOM 0 HG11 VAL A 108 10.030 6.569 -4.230 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.675 7.413 -5.018 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.727 6.336 -5.968 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.326 7.266 -4.599 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.197 7.093 -6.365 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.705 8.645 -5.658 1.00 0.28 H new ATOM 1733 N GLU A 109 11.963 9.054 -8.403 1.00 0.38 N ATOM 1734 CA GLU A 109 13.118 9.614 -9.094 1.00 0.48 C ATOM 1735 C GLU A 109 12.691 10.785 -9.970 1.00 0.45 C ATOM 1736 O GLU A 109 13.226 11.888 -9.857 1.00 0.45 O ATOM 1737 CB GLU A 109 13.790 8.541 -9.952 1.00 0.62 C ATOM 1738 CG GLU A 109 15.082 8.999 -10.608 1.00 1.29 C ATOM 1739 CD GLU A 109 16.160 9.341 -9.597 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.914 8.428 -9.201 1.00 1.75 O ATOM 1741 OE2 GLU A 109 16.252 10.523 -9.204 1.00 2.41 O ATOM 0 H GLU A 109 11.640 8.164 -8.782 1.00 0.38 H new ATOM 0 HA GLU A 109 13.830 9.971 -8.350 1.00 0.48 H new ATOM 0 HB2 GLU A 109 13.998 7.670 -9.331 1.00 0.62 H new ATOM 0 HB3 GLU A 109 13.094 8.220 -10.727 1.00 0.62 H new ATOM 0 HG2 GLU A 109 15.447 8.214 -11.271 1.00 1.29 H new ATOM 0 HG3 GLU A 109 14.881 9.872 -11.228 1.00 1.29 H new ATOM 1748 N ILE A 110 11.724 10.529 -10.850 1.00 0.44 N ATOM 1749 CA ILE A 110 11.206 11.558 -11.745 1.00 0.42 C ATOM 1750 C ILE A 110 10.757 12.782 -10.950 1.00 0.39 C ATOM 1751 O ILE A 110 11.049 13.920 -11.319 1.00 0.45 O ATOM 1752 CB ILE A 110 10.026 11.018 -12.586 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.537 10.296 -13.841 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.072 12.140 -12.980 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.525 9.183 -13.562 1.00 0.55 C ATOM 0 H ILE A 110 11.284 9.616 -10.961 1.00 0.44 H new ATOM 0 HA ILE A 110 12.010 11.848 -12.421 1.00 0.42 H new ATOM 0 HB ILE A 110 9.480 10.304 -11.969 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.685 9.882 -14.380 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.007 11.026 -14.500 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.253 11.730 -13.570 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.672 12.610 -12.081 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.608 12.883 -13.570 1.00 0.42 H new ATOM 0 HD11 ILE A 110 11.834 8.727 -14.502 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.398 9.591 -13.052 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.055 8.429 -12.930 1.00 0.55 H new ATOM 1767 N LYS A 111 10.045 12.533 -9.856 1.00 0.36 N ATOM 1768 CA LYS A 111 9.554 13.599 -8.993 1.00 0.37 C ATOM 1769 C LYS A 111 10.339 13.632 -7.686 1.00 0.40 C ATOM 1770 O LYS A 111 11.472 13.159 -7.619 1.00 0.48 O ATOM 1771 CB LYS A 111 8.066 13.398 -8.694 1.00 0.39 C ATOM 1772 CG LYS A 111 7.142 14.073 -9.692 1.00 0.51 C ATOM 1773 CD LYS A 111 5.810 14.432 -9.052 1.00 0.65 C ATOM 1774 CE LYS A 111 5.025 13.191 -8.650 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.718 13.538 -8.030 1.00 1.28 N ATOM 0 H LYS A 111 9.794 11.594 -9.545 1.00 0.36 H new ATOM 0 HA LYS A 111 9.689 14.548 -9.512 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.850 12.330 -8.678 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.851 13.782 -7.697 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.617 14.974 -10.080 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.974 13.411 -10.541 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.984 15.053 -8.173 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.219 15.026 -9.750 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.856 12.568 -9.528 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.614 12.600 -7.949 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.214 12.666 -7.771 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.880 14.111 -7.177 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 3.145 14.080 -8.708 1.00 1.28 H new ATOM 1789 N GLN A 112 9.732 14.210 -6.654 1.00 0.43 N ATOM 1790 CA GLN A 112 10.360 14.288 -5.344 1.00 0.56 C ATOM 1791 C GLN A 112 9.964 13.083 -4.505 1.00 0.65 C ATOM 1792 O GLN A 112 10.209 11.945 -4.903 1.00 1.51 O ATOM 1793 CB GLN A 112 9.968 15.594 -4.647 1.00 0.66 C ATOM 1794 CG GLN A 112 10.669 16.820 -5.207 1.00 0.69 C ATOM 1795 CD GLN A 112 10.296 18.095 -4.474 1.00 1.29 C ATOM 1796 OE1 GLN A 112 9.069 18.154 -3.967 1.00 2.15 O flip ATOM 1797 NE2 GLN A 112 11.103 19.018 -4.364 1.00 2.03 N flip ATOM 0 H GLN A 112 8.804 14.631 -6.702 1.00 0.43 H new ATOM 0 HA GLN A 112 11.443 14.280 -5.466 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.890 15.732 -4.733 1.00 0.66 H new ATOM 0 HB3 GLN A 112 10.195 15.510 -3.584 1.00 0.66 H new ATOM 0 HG2 GLN A 112 11.748 16.675 -5.149 1.00 0.69 H new ATOM 0 HG3 GLN A 112 10.418 16.926 -6.262 1.00 0.69 H new ATOM 0 HE21 GLN A 112 12.035 18.931 -4.769 1.00 2.03 H new ATOM 0 HE22 GLN A 112 10.839 19.870 -3.868 1.00 2.03 H new ATOM 1806 N LEU A 113 9.373 13.333 -3.340 1.00 0.37 N ATOM 1807 CA LEU A 113 8.913 12.257 -2.478 1.00 0.29 C ATOM 1808 C LEU A 113 10.063 11.423 -1.941 1.00 0.30 C ATOM 1809 O LEU A 113 9.855 10.302 -1.476 1.00 0.44 O ATOM 1810 CB LEU A 113 7.951 11.363 -3.248 1.00 0.24 C ATOM 1811 CG LEU A 113 6.625 12.010 -3.631 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.833 12.375 -2.385 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.827 13.234 -4.512 1.00 0.36 C ATOM 0 H LEU A 113 9.203 14.270 -2.975 1.00 0.37 H new ATOM 0 HA LEU A 113 8.407 12.710 -1.625 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.446 11.023 -4.157 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.744 10.477 -2.647 1.00 0.24 H new ATOM 0 HG LEU A 113 6.058 11.281 -4.209 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.889 12.836 -2.676 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.633 11.475 -1.804 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.408 13.077 -1.781 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.858 13.666 -4.763 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.426 13.972 -3.978 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.342 12.942 -5.427 1.00 0.36 H new ATOM 1825 N ASN A 114 11.275 11.957 -2.007 1.00 0.19 N ATOM 1826 CA ASN A 114 12.435 11.235 -1.511 1.00 0.18 C ATOM 1827 C ASN A 114 12.228 10.839 -0.059 1.00 0.16 C ATOM 1828 O ASN A 114 12.830 9.883 0.420 1.00 0.18 O ATOM 1829 CB ASN A 114 13.702 12.076 -1.655 1.00 0.20 C ATOM 1830 CG ASN A 114 13.938 12.531 -3.083 1.00 0.27 C ATOM 1831 OD1 ASN A 114 13.484 13.601 -3.489 1.00 1.10 O ATOM 1832 ND2 ASN A 114 14.651 11.717 -3.853 1.00 1.22 N ATOM 0 H ASN A 114 11.478 12.878 -2.395 1.00 0.19 H new ATOM 0 HA ASN A 114 12.555 10.331 -2.109 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.631 12.949 -1.006 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.560 11.496 -1.315 1.00 0.20 H new ATOM 0 HD21 ASN A 114 14.842 11.969 -4.823 1.00 1.22 H new ATOM 0 HD22 ASN A 114 15.008 10.840 -3.475 1.00 1.22 H new ATOM 1839 N HIS A 115 11.379 11.587 0.644 1.00 0.16 N ATOM 1840 CA HIS A 115 11.072 11.277 2.033 1.00 0.14 C ATOM 1841 C HIS A 115 10.445 9.892 2.095 1.00 0.13 C ATOM 1842 O HIS A 115 10.779 9.071 2.954 1.00 0.12 O ATOM 1843 CB HIS A 115 10.127 12.321 2.620 1.00 0.15 C ATOM 1844 CG HIS A 115 10.654 13.720 2.543 1.00 0.28 C ATOM 1845 ND1 HIS A 115 10.121 14.679 1.705 1.00 1.33 N ATOM 1846 CD2 HIS A 115 11.670 14.323 3.204 1.00 0.92 C ATOM 1847 CE1 HIS A 115 10.789 15.809 1.854 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.731 15.621 2.758 1.00 0.51 N ATOM 0 H HIS A 115 10.896 12.406 0.275 1.00 0.16 H new ATOM 0 HA HIS A 115 11.988 11.292 2.623 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.174 12.272 2.094 1.00 0.15 H new ATOM 0 HB3 HIS A 115 9.929 12.074 3.663 1.00 0.15 H new ATOM 0 HD2 HIS A 115 12.312 13.869 3.944 1.00 0.92 H new ATOM 0 HE1 HIS A 115 10.596 16.731 1.325 1.00 1.14 H new ATOM 0 HE2 HIS A 115 12.397 16.326 3.075 1.00 0.51 H new ATOM 1857 N PHE A 116 9.519 9.644 1.174 1.00 0.13 N ATOM 1858 CA PHE A 116 8.885 8.343 1.075 1.00 0.13 C ATOM 1859 C PHE A 116 9.981 7.316 0.844 1.00 0.12 C ATOM 1860 O PHE A 116 9.982 6.227 1.423 1.00 0.16 O ATOM 1861 CB PHE A 116 7.871 8.335 -0.074 1.00 0.15 C ATOM 1862 CG PHE A 116 7.596 6.971 -0.639 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.012 5.985 0.139 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.920 6.678 -1.953 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.759 4.731 -0.385 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.670 5.429 -2.480 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.088 4.453 -1.695 1.00 0.21 C ATOM 0 H PHE A 116 9.195 10.327 0.490 1.00 0.13 H new ATOM 0 HA PHE A 116 8.340 8.106 1.989 1.00 0.13 H new ATOM 0 HB2 PHE A 116 6.934 8.766 0.279 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.238 8.980 -0.872 1.00 0.15 H new ATOM 0 HD1 PHE A 116 6.752 6.198 1.165 1.00 0.73 H new ATOM 0 HD2 PHE A 116 8.374 7.437 -2.572 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.304 3.970 0.231 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.929 5.214 -3.506 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.891 3.474 -2.106 1.00 0.21 H new ATOM 1877 N TRP A 117 10.931 7.698 0.001 1.00 0.14 N ATOM 1878 CA TRP A 117 12.071 6.854 -0.300 1.00 0.15 C ATOM 1879 C TRP A 117 12.897 6.659 0.968 1.00 0.15 C ATOM 1880 O TRP A 117 13.499 5.606 1.171 1.00 0.19 O ATOM 1881 CB TRP A 117 12.910 7.493 -1.416 1.00 0.19 C ATOM 1882 CG TRP A 117 14.347 7.061 -1.443 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.395 7.664 -0.808 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.897 5.947 -2.153 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.562 6.992 -1.078 1.00 0.60 N ATOM 1886 CE2 TRP A 117 16.283 5.934 -1.904 1.00 0.61 C ATOM 1887 CE3 TRP A 117 14.354 4.957 -2.976 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 17.130 4.972 -2.448 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 15.195 4.002 -3.516 1.00 0.88 C ATOM 1890 CH2 TRP A 117 16.570 4.016 -3.250 1.00 0.92 C ATOM 0 H TRP A 117 10.931 8.593 -0.487 1.00 0.14 H new ATOM 0 HA TRP A 117 11.733 5.878 -0.649 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.454 7.254 -2.377 1.00 0.19 H new ATOM 0 HB3 TRP A 117 12.872 8.577 -1.306 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.317 8.542 -0.184 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.485 7.240 -0.722 1.00 0.60 H new ATOM 0 HE3 TRP A 117 13.295 4.938 -3.187 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 18.191 4.980 -2.244 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 14.785 3.233 -4.153 1.00 0.88 H new ATOM 0 HH2 TRP A 117 17.201 3.256 -3.687 1.00 0.92 H new ATOM 1901 N GLU A 118 12.900 7.680 1.833 1.00 0.14 N ATOM 1902 CA GLU A 118 13.643 7.614 3.088 1.00 0.15 C ATOM 1903 C GLU A 118 13.105 6.489 3.955 1.00 0.14 C ATOM 1904 O GLU A 118 13.851 5.593 4.353 1.00 0.17 O ATOM 1905 CB GLU A 118 13.570 8.940 3.858 1.00 0.17 C ATOM 1906 CG GLU A 118 14.261 10.101 3.162 1.00 0.20 C ATOM 1907 CD GLU A 118 15.721 9.820 2.867 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.562 10.047 3.761 1.00 0.86 O ATOM 1909 OE2 GLU A 118 16.025 9.374 1.740 1.00 0.64 O ATOM 0 H GLU A 118 12.398 8.555 1.685 1.00 0.14 H new ATOM 0 HA GLU A 118 14.688 7.421 2.844 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.523 9.198 4.018 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.018 8.802 4.842 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.742 10.321 2.229 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.185 10.991 3.787 1.00 0.20 H new ATOM 1916 N ILE A 119 11.804 6.528 4.255 1.00 0.11 N ATOM 1917 CA ILE A 119 11.214 5.474 5.068 1.00 0.13 C ATOM 1918 C ILE A 119 11.408 4.136 4.377 1.00 0.14 C ATOM 1919 O ILE A 119 11.543 3.102 5.031 1.00 0.19 O ATOM 1920 CB ILE A 119 9.722 5.714 5.380 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.900 5.805 4.092 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.566 6.973 6.219 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.463 6.234 4.308 1.00 0.14 C ATOM 0 H ILE A 119 11.158 7.258 3.955 1.00 0.11 H new ATOM 0 HA ILE A 119 11.728 5.476 6.029 1.00 0.13 H new ATOM 0 HB ILE A 119 9.343 4.866 5.950 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.381 6.511 3.415 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.908 4.833 3.598 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.511 7.137 6.436 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.115 6.858 7.154 1.00 0.22 H new ATOM 0 HG23 ILE A 119 9.961 7.828 5.669 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.947 6.275 3.349 1.00 0.14 H new ATOM 0 HD12 ILE A 119 6.963 5.517 4.959 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.444 7.220 4.772 1.00 0.14 H new ATOM 1935 N VAL A 120 11.428 4.159 3.045 1.00 0.13 N ATOM 1936 CA VAL A 120 11.664 2.949 2.275 1.00 0.20 C ATOM 1937 C VAL A 120 13.018 2.354 2.679 1.00 0.21 C ATOM 1938 O VAL A 120 13.137 1.147 2.886 1.00 0.25 O ATOM 1939 CB VAL A 120 11.640 3.229 0.758 1.00 0.29 C ATOM 1940 CG1 VAL A 120 12.265 2.090 -0.031 1.00 0.82 C ATOM 1941 CG2 VAL A 120 10.227 3.527 0.284 1.00 0.76 C ATOM 0 H VAL A 120 11.284 4.999 2.484 1.00 0.13 H new ATOM 0 HA VAL A 120 10.865 2.240 2.490 1.00 0.20 H new ATOM 0 HB VAL A 120 12.247 4.116 0.574 1.00 0.29 H new ATOM 0 HG11 VAL A 120 12.230 2.323 -1.095 1.00 0.82 H new ATOM 0 HG12 VAL A 120 13.302 1.959 0.278 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.712 1.170 0.158 1.00 0.82 H new ATOM 0 HG21 VAL A 120 10.236 3.721 -0.789 1.00 0.76 H new ATOM 0 HG22 VAL A 120 9.585 2.671 0.492 1.00 0.76 H new ATOM 0 HG23 VAL A 120 9.845 4.403 0.808 1.00 0.76 H new ATOM 1951 N VAL A 121 14.037 3.214 2.797 1.00 0.20 N ATOM 1952 CA VAL A 121 15.371 2.764 3.212 1.00 0.24 C ATOM 1953 C VAL A 121 15.322 2.268 4.651 1.00 0.26 C ATOM 1954 O VAL A 121 16.019 1.323 5.025 1.00 0.31 O ATOM 1955 CB VAL A 121 16.445 3.880 3.097 1.00 0.25 C ATOM 1956 CG1 VAL A 121 16.037 4.940 2.093 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.738 4.515 4.448 1.00 0.26 C ATOM 0 H VAL A 121 13.965 4.215 2.613 1.00 0.20 H new ATOM 0 HA VAL A 121 15.658 1.959 2.535 1.00 0.24 H new ATOM 0 HB VAL A 121 17.359 3.406 2.740 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.811 5.706 2.037 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.909 4.482 1.112 1.00 0.24 H new ATOM 0 HG13 VAL A 121 15.098 5.396 2.406 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.494 5.291 4.329 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.825 4.956 4.848 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.105 3.753 5.136 1.00 0.26 H new ATOM 1967 N GLN A 122 14.486 2.923 5.449 1.00 0.25 N ATOM 1968 CA GLN A 122 14.327 2.584 6.856 1.00 0.30 C ATOM 1969 C GLN A 122 13.422 1.369 7.037 1.00 0.35 C ATOM 1970 O GLN A 122 13.363 0.784 8.119 1.00 0.44 O ATOM 1971 CB GLN A 122 13.742 3.779 7.606 1.00 0.29 C ATOM 1972 CG GLN A 122 13.873 3.678 9.113 1.00 0.44 C ATOM 1973 CD GLN A 122 15.196 4.213 9.623 1.00 1.27 C ATOM 1974 OE1 GLN A 122 15.325 5.401 9.924 1.00 1.92 O ATOM 1975 NE2 GLN A 122 16.191 3.339 9.724 1.00 2.12 N ATOM 0 H GLN A 122 13.902 3.700 5.139 1.00 0.25 H new ATOM 0 HA GLN A 122 15.309 2.336 7.260 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.239 4.688 7.267 1.00 0.29 H new ATOM 0 HB3 GLN A 122 12.688 3.878 7.348 1.00 0.29 H new ATOM 0 HG2 GLN A 122 13.058 4.229 9.582 1.00 0.44 H new ATOM 0 HG3 GLN A 122 13.767 2.636 9.414 1.00 0.44 H new ATOM 0 HE21 GLN A 122 16.042 2.364 9.464 1.00 2.12 H new ATOM 0 HE22 GLN A 122 17.104 3.643 10.061 1.00 2.12 H new ATOM 1984 N ASP A 123 12.719 0.993 5.974 1.00 0.31 N ATOM 1985 CA ASP A 123 11.806 -0.145 6.027 1.00 0.37 C ATOM 1986 C ASP A 123 12.264 -1.295 5.131 1.00 0.40 C ATOM 1987 O ASP A 123 11.697 -2.386 5.184 1.00 0.45 O ATOM 1988 CB ASP A 123 10.398 0.303 5.626 1.00 0.35 C ATOM 1989 CG ASP A 123 9.695 1.065 6.734 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.218 0.417 7.690 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.621 2.309 6.648 1.00 0.71 O ATOM 0 H ASP A 123 12.763 1.458 5.067 1.00 0.31 H new ATOM 0 HA ASP A 123 11.800 -0.515 7.052 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.459 0.933 4.738 1.00 0.35 H new ATOM 0 HB3 ASP A 123 9.805 -0.571 5.357 1.00 0.35 H new ATOM 1996 N GLY A 124 13.294 -1.062 4.320 1.00 0.38 N ATOM 1997 CA GLY A 124 13.768 -2.104 3.423 1.00 0.43 C ATOM 1998 C GLY A 124 12.731 -2.411 2.363 1.00 0.44 C ATOM 1999 O GLY A 124 12.371 -3.565 2.135 1.00 0.55 O ATOM 0 H GLY A 124 13.804 -0.180 4.268 1.00 0.38 H new ATOM 0 HA2 GLY A 124 14.697 -1.788 2.949 1.00 0.43 H new ATOM 0 HA3 GLY A 124 13.992 -3.006 3.992 1.00 0.43 H new ATOM 2003 N ILE A 125 12.256 -1.352 1.723 1.00 0.40 N ATOM 2004 CA ILE A 125 11.225 -1.436 0.698 1.00 0.44 C ATOM 2005 C ILE A 125 11.840 -1.262 -0.705 1.00 0.45 C ATOM 2006 O ILE A 125 11.415 -0.441 -1.510 1.00 0.48 O ATOM 2007 CB ILE A 125 10.134 -0.368 1.032 1.00 0.47 C ATOM 2008 CG1 ILE A 125 9.091 -0.934 2.009 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.434 0.203 -0.193 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.661 -1.814 3.096 1.00 0.49 C ATOM 0 H ILE A 125 12.579 -0.401 1.902 1.00 0.40 H new ATOM 0 HA ILE A 125 10.754 -2.419 0.689 1.00 0.44 H new ATOM 0 HB ILE A 125 10.671 0.457 1.499 1.00 0.47 H new ATOM 0 HG12 ILE A 125 8.559 -0.104 2.473 1.00 0.58 H new ATOM 0 HG13 ILE A 125 8.356 -1.507 1.444 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.692 0.937 0.121 1.00 0.68 H new ATOM 0 HG22 ILE A 125 10.168 0.683 -0.840 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.941 -0.602 -0.738 1.00 0.68 H new ATOM 0 HD11 ILE A 125 8.854 -2.168 3.738 1.00 0.49 H new ATOM 0 HD12 ILE A 125 10.167 -2.667 2.645 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.373 -1.242 3.691 1.00 0.49 H new ATOM 2022 N THR A 126 12.887 -2.030 -0.988 1.00 0.45 N ATOM 2023 CA THR A 126 13.532 -1.945 -2.291 1.00 0.47 C ATOM 2024 C THR A 126 14.067 -3.293 -2.777 1.00 0.48 C ATOM 2025 O THR A 126 14.447 -4.145 -1.979 1.00 0.57 O ATOM 2026 CB THR A 126 14.648 -0.911 -2.278 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.188 0.270 -1.621 1.00 0.55 O ATOM 2028 CG2 THR A 126 15.083 -0.568 -3.687 1.00 0.53 C ATOM 0 H THR A 126 13.300 -2.706 -0.345 1.00 0.45 H new ATOM 0 HA THR A 126 12.761 -1.632 -2.996 1.00 0.47 H new ATOM 0 HB THR A 126 15.503 -1.327 -1.745 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.905 0.938 -1.609 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.882 0.173 -3.651 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.445 -1.467 -4.185 1.00 0.53 H new ATOM 0 HG23 THR A 126 14.236 -0.162 -4.241 1.00 0.53 H new ATOM 2036 N LEU A 127 14.098 -3.455 -4.104 1.00 0.47 N ATOM 2037 CA LEU A 127 14.564 -4.682 -4.758 1.00 0.48 C ATOM 2038 C LEU A 127 13.821 -5.907 -4.223 1.00 0.46 C ATOM 2039 O LEU A 127 13.122 -5.826 -3.212 1.00 0.52 O ATOM 2040 CB LEU A 127 16.089 -4.854 -4.611 1.00 0.52 C ATOM 2041 CG LEU A 127 16.584 -5.658 -3.402 1.00 0.66 C ATOM 2042 CD1 LEU A 127 16.709 -7.133 -3.748 1.00 1.29 C ATOM 2043 CD2 LEU A 127 17.925 -5.140 -2.928 1.00 1.19 C ATOM 0 H LEU A 127 13.798 -2.733 -4.759 1.00 0.47 H new ATOM 0 HA LEU A 127 14.343 -4.592 -5.821 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.465 -5.334 -5.514 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.539 -3.862 -4.566 1.00 0.52 H new ATOM 0 HG LEU A 127 15.851 -5.540 -2.604 1.00 0.66 H new ATOM 0 HD11 LEU A 127 17.062 -7.683 -2.875 1.00 1.29 H new ATOM 0 HD12 LEU A 127 15.736 -7.519 -4.052 1.00 1.29 H new ATOM 0 HD13 LEU A 127 17.419 -7.256 -4.566 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.258 -5.724 -2.070 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.655 -5.229 -3.733 1.00 1.19 H new ATOM 0 HD23 LEU A 127 17.829 -4.093 -2.639 1.00 1.19 H new