USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 23 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-2.2!) USER MOD Set 1.3: A 35 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 27 ASN : amide:sc= -11.3! C(o=-17!,f=-27!) USER MOD Set 2.2: A 29 GLN : amide:sc= -7.18! C(o=-17!,f=-30!) USER MOD Set 2.3: A 101 SER OG : rot -140:sc= 1.04 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -2.05! C(o=-2!,f=-2.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -157:sc= 0.317 USER MOD Single : A 34 THR OG1 : rot -54:sc= 0.303 USER MOD Single : A 42 HIS : no HD1:sc= -1.16! K(o=-1.2!,f=-0.4) USER MOD Single : A 48 SER OG : rot 88:sc= 0.1 USER MOD Single : A 50 SER OG : rot 170:sc= 0.338 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.98! K(o=-3!,f=-0.81) USER MOD Single : A 60 ASN : amide:sc=-0.00373 X(o=-0.0037,f=-0.045) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.71) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.505 K(o=-0.51,f=0.057) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -3.25! C(o=-3.2!,f=-2.1!) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0.963 (180deg=0.863) USER MOD Single : A 88 GLN : amide:sc= -4.23 K(o=-4.2,f=-19!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -171:sc= -11.8! (180deg=-12.5!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 95 THR OG1 : rot 30:sc= -2.65! USER MOD Single : A 97 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.013) USER MOD Single : A 99 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.21) USER MOD Single : A 100 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.6!) USER MOD Single : A 104 HIS : no HE2:sc= -10.5! C(o=-10!,f=-8.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -5.86! C(o=-5.9!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -8.880 -8.297 -4.656 1.00 0.00 N ATOM 49 CA TYR A 7 -7.658 -8.801 -4.053 1.00 0.00 C ATOM 50 C TYR A 7 -6.893 -7.682 -3.345 1.00 0.00 C ATOM 51 O TYR A 7 -5.683 -7.779 -3.150 1.00 0.00 O ATOM 52 CB TYR A 7 -6.807 -9.334 -5.208 1.00 0.00 C ATOM 53 CG TYR A 7 -7.587 -10.173 -6.221 1.00 0.00 C ATOM 54 CD1 TYR A 7 -8.467 -11.141 -5.784 1.00 0.00 C ATOM 55 CD2 TYR A 7 -7.410 -9.961 -7.574 1.00 0.00 C ATOM 56 CE1 TYR A 7 -9.202 -11.931 -6.738 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.146 -10.751 -8.528 1.00 0.00 C ATOM 58 CZ TYR A 7 -9.005 -11.697 -8.063 1.00 0.00 C ATOM 0 HA TYR A 7 -7.884 -9.567 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.348 -8.492 -5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.996 -9.937 -4.800 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.605 -11.307 -4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.720 -9.204 -7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.894 -12.692 -6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.018 -10.595 -9.589 1.00 0.00 H new ATOM 59 N ARG A 8 -7.631 -6.644 -2.979 1.00 0.00 N ATOM 60 CA ARG A 8 -7.037 -5.507 -2.297 1.00 0.00 C ATOM 61 C ARG A 8 -6.680 -5.880 -0.857 1.00 0.00 C ATOM 62 O ARG A 8 -7.558 -6.208 -0.061 1.00 0.00 O ATOM 63 CB ARG A 8 -7.992 -4.311 -2.285 1.00 0.00 C ATOM 64 CG ARG A 8 -8.056 -3.648 -3.662 1.00 0.00 C ATOM 65 CD ARG A 8 -8.371 -2.156 -3.538 1.00 0.00 C ATOM 66 NE ARG A 8 -9.721 -1.876 -4.078 1.00 0.00 N ATOM 67 CZ ARG A 8 -10.058 -2.015 -5.368 1.00 0.00 C ATOM 0 H ARG A 8 -8.635 -6.567 -3.142 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.133 -5.230 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.988 -4.639 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.662 -3.585 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.105 -3.781 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.819 -4.135 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.318 -1.851 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.626 -1.573 -4.079 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.439 -1.557 -3.428 1.00 0.00 H new ATOM 68 N ILE A 9 -5.389 -5.816 -0.566 1.00 0.00 N ATOM 69 CA ILE A 9 -4.905 -6.141 0.765 1.00 0.00 C ATOM 70 C ILE A 9 -5.831 -5.514 1.808 1.00 0.00 C ATOM 71 O ILE A 9 -5.677 -4.345 2.157 1.00 0.00 O ATOM 72 CB ILE A 9 -3.439 -5.731 0.918 1.00 0.00 C ATOM 73 CG1 ILE A 9 -2.626 -6.131 -0.316 1.00 0.00 C ATOM 74 CG2 ILE A 9 -2.841 -6.300 2.206 1.00 0.00 C ATOM 75 CD1 ILE A 9 -2.985 -7.546 -0.774 1.00 0.00 C ATOM 0 H ILE A 9 -4.663 -5.544 -1.229 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.928 -7.219 0.925 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.395 -4.645 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.814 -5.425 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.562 -6.078 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.798 -5.993 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.400 -5.924 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.898 -7.388 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.393 -7.805 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.773 -8.253 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.045 -7.589 -1.025 1.00 0.00 H new ATOM 76 N LYS A 10 -6.773 -6.319 2.278 1.00 0.00 N ATOM 77 CA LYS A 10 -7.724 -5.857 3.274 1.00 0.00 C ATOM 78 C LYS A 10 -7.369 -6.465 4.633 1.00 0.00 C ATOM 79 O LYS A 10 -8.086 -6.268 5.612 1.00 0.00 O ATOM 80 CB LYS A 10 -9.156 -6.150 2.824 1.00 0.00 C ATOM 81 CG LYS A 10 -9.795 -4.915 2.188 1.00 0.00 C ATOM 82 CD LYS A 10 -11.318 -4.951 2.327 1.00 0.00 C ATOM 83 CE LYS A 10 -11.771 -4.213 3.588 1.00 0.00 C ATOM 84 NZ LYS A 10 -13.094 -3.585 3.374 1.00 0.00 N ATOM 0 H LYS A 10 -6.898 -7.289 1.987 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.665 -4.774 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.155 -6.972 2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.751 -6.472 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.404 -4.015 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.524 -4.863 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.778 -4.496 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.659 -5.986 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.824 -4.909 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.039 -3.451 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.387 -3.088 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.033 -2.906 2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.793 -4.319 3.143 1.00 0.00 H new ATOM 85 N LYS A 11 -6.260 -7.191 4.649 1.00 0.00 N ATOM 86 CA LYS A 11 -5.801 -7.830 5.870 1.00 0.00 C ATOM 87 C LYS A 11 -4.440 -7.250 6.263 1.00 0.00 C ATOM 88 O LYS A 11 -3.603 -6.988 5.402 1.00 0.00 O ATOM 89 CB LYS A 11 -5.801 -9.351 5.712 1.00 0.00 C ATOM 90 CG LYS A 11 -6.995 -9.979 6.434 1.00 0.00 C ATOM 91 CD LYS A 11 -6.808 -9.926 7.951 1.00 0.00 C ATOM 92 CE LYS A 11 -7.750 -8.899 8.584 1.00 0.00 C ATOM 93 NZ LYS A 11 -8.438 -9.481 9.758 1.00 0.00 N ATOM 0 H LYS A 11 -5.666 -7.350 3.835 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.486 -7.620 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.835 -9.610 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.874 -9.761 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.909 -9.453 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.114 -11.014 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.997 -10.910 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.775 -9.670 8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.186 -8.017 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.486 -8.571 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.073 -8.771 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.992 -10.309 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.733 -9.772 10.464 1.00 0.00 H new ATOM 94 N ASN A 12 -4.263 -7.068 7.563 1.00 0.00 N ATOM 95 CA ASN A 12 -3.019 -6.526 8.080 1.00 0.00 C ATOM 96 C ASN A 12 -1.866 -7.460 7.707 1.00 0.00 C ATOM 97 O ASN A 12 -0.930 -7.054 7.021 1.00 0.00 O ATOM 98 CB ASN A 12 -3.060 -6.410 9.605 1.00 0.00 C ATOM 99 CG ASN A 12 -3.259 -4.957 10.040 1.00 0.00 C ATOM 100 OD1 ASN A 12 -4.354 -4.420 10.017 1.00 0.00 O ATOM 101 ND2 ASN A 12 -2.143 -4.352 10.436 1.00 0.00 N ATOM 0 H ASN A 12 -4.961 -7.287 8.274 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.877 -5.536 7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.869 -7.025 9.998 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.132 -6.796 10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.172 -3.380 10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.258 -4.860 10.431 1.00 0.00 H new ATOM 102 N ALA A 13 -1.972 -8.695 8.177 1.00 0.00 N ATOM 103 CA ALA A 13 -0.951 -9.690 7.901 1.00 0.00 C ATOM 104 C ALA A 13 -0.568 -9.627 6.421 1.00 0.00 C ATOM 105 O ALA A 13 0.605 -9.470 6.084 1.00 0.00 O ATOM 106 CB ALA A 13 -1.460 -11.073 8.313 1.00 0.00 C ATOM 0 H ALA A 13 -2.750 -9.028 8.747 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.052 -9.487 8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.693 -11.820 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.689 -11.074 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.361 -11.312 7.748 1.00 0.00 H new ATOM 107 N ASP A 14 -1.581 -9.752 5.576 1.00 0.00 N ATOM 108 CA ASP A 14 -1.366 -9.711 4.139 1.00 0.00 C ATOM 109 C ASP A 14 -0.441 -8.541 3.800 1.00 0.00 C ATOM 110 O ASP A 14 0.355 -8.625 2.864 1.00 0.00 O ATOM 111 CB ASP A 14 -2.684 -9.505 3.390 1.00 0.00 C ATOM 112 CG ASP A 14 -3.631 -10.706 3.403 1.00 0.00 C ATOM 113 OD1 ASP A 14 -3.229 -11.740 3.982 1.00 0.00 O ATOM 114 OD2 ASP A 14 -4.735 -10.565 2.835 1.00 0.00 O ATOM 0 H ASP A 14 -2.552 -9.882 5.859 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.925 -10.661 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.201 -8.649 3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.460 -9.250 2.354 1.00 0.00 H new ATOM 115 N PHE A 15 -0.576 -7.477 4.577 1.00 0.00 N ATOM 116 CA PHE A 15 0.239 -6.291 4.370 1.00 0.00 C ATOM 117 C PHE A 15 1.593 -6.428 5.069 1.00 0.00 C ATOM 118 O PHE A 15 2.627 -6.074 4.503 1.00 0.00 O ATOM 119 CB PHE A 15 -0.521 -5.114 4.984 1.00 0.00 C ATOM 120 CG PHE A 15 -0.768 -3.958 4.011 1.00 0.00 C ATOM 121 CD1 PHE A 15 0.285 -3.290 3.469 1.00 0.00 C ATOM 122 CD2 PHE A 15 -2.040 -3.599 3.691 1.00 0.00 C ATOM 123 CE1 PHE A 15 0.056 -2.217 2.568 1.00 0.00 C ATOM 124 CE2 PHE A 15 -2.268 -2.527 2.790 1.00 0.00 C ATOM 125 CZ PHE A 15 -1.215 -1.858 2.246 1.00 0.00 C ATOM 0 H PHE A 15 -1.237 -7.411 5.351 1.00 0.00 H new ATOM 0 HA PHE A 15 0.422 -6.146 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.480 -5.470 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.039 -4.741 5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.295 -3.575 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.876 -4.129 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.892 -1.686 2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.278 -2.242 2.536 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.389 -1.043 1.559 1.00 0.00 H new ATOM 126 N GLN A 16 1.545 -6.941 6.290 1.00 0.00 N ATOM 127 CA GLN A 16 2.755 -7.129 7.071 1.00 0.00 C ATOM 128 C GLN A 16 3.666 -8.158 6.400 1.00 0.00 C ATOM 129 O GLN A 16 4.887 -8.091 6.531 1.00 0.00 O ATOM 130 CB GLN A 16 2.423 -7.542 8.506 1.00 0.00 C ATOM 131 CG GLN A 16 2.451 -9.065 8.658 1.00 0.00 C ATOM 132 CD GLN A 16 3.859 -9.557 8.997 1.00 0.00 C ATOM 133 OE1 GLN A 16 4.553 -9.002 9.833 1.00 0.00 O ATOM 134 NE2 GLN A 16 4.241 -10.625 8.303 1.00 0.00 N ATOM 0 H GLN A 16 0.686 -7.232 6.757 1.00 0.00 H new ATOM 0 HA GLN A 16 3.286 -6.178 7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.139 -7.091 9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.438 -7.164 8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.757 -9.368 9.442 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.111 -9.532 7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.610 -11.040 7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.165 -11.029 8.456 1.00 0.00 H new ATOM 135 N ARG A 17 3.037 -9.088 5.696 1.00 0.00 N ATOM 136 CA ARG A 17 3.776 -10.131 5.005 1.00 0.00 C ATOM 137 C ARG A 17 4.730 -9.514 3.979 1.00 0.00 C ATOM 138 O ARG A 17 5.860 -9.973 3.824 1.00 0.00 O ATOM 139 CB ARG A 17 2.828 -11.098 4.293 1.00 0.00 C ATOM 140 CG ARG A 17 2.649 -12.385 5.101 1.00 0.00 C ATOM 141 CD ARG A 17 1.181 -12.597 5.476 1.00 0.00 C ATOM 142 NE ARG A 17 1.082 -13.489 6.652 1.00 0.00 N ATOM 143 CZ ARG A 17 1.260 -14.816 6.607 1.00 0.00 C ATOM 0 H ARG A 17 2.024 -9.141 5.589 1.00 0.00 H new ATOM 0 HA ARG A 17 4.347 -10.684 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.860 -10.620 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.221 -11.337 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.006 -13.236 4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.256 -12.338 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.711 -11.638 5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.641 -13.031 4.634 1.00 0.00 H new ATOM 0 HE ARG A 17 0.864 -13.067 7.555 1.00 0.00 H new ATOM 144 N ILE A 18 4.238 -8.484 3.305 1.00 0.00 N ATOM 145 CA ILE A 18 5.032 -7.801 2.299 1.00 0.00 C ATOM 146 C ILE A 18 6.242 -7.148 2.968 1.00 0.00 C ATOM 147 O ILE A 18 7.379 -7.561 2.743 1.00 0.00 O ATOM 148 CB ILE A 18 4.164 -6.822 1.506 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.788 -7.423 1.212 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.875 -6.368 0.229 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.909 -8.887 0.785 1.00 0.00 C ATOM 0 H ILE A 18 3.300 -8.107 3.436 1.00 0.00 H new ATOM 0 HA ILE A 18 5.417 -8.513 1.569 1.00 0.00 H new ATOM 0 HB ILE A 18 4.004 -5.935 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.158 -7.350 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.298 -6.850 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.236 -5.673 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.810 -5.873 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.086 -7.234 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.917 -9.290 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.519 -8.954 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.377 -9.462 1.584 1.00 0.00 H new ATOM 152 N TYR A 19 5.958 -6.138 3.777 1.00 0.00 N ATOM 153 CA TYR A 19 7.009 -5.423 4.480 1.00 0.00 C ATOM 154 C TYR A 19 8.024 -6.395 5.085 1.00 0.00 C ATOM 155 O TYR A 19 9.180 -6.035 5.303 1.00 0.00 O ATOM 156 CB TYR A 19 6.316 -4.659 5.611 1.00 0.00 C ATOM 157 CG TYR A 19 5.751 -3.301 5.191 1.00 0.00 C ATOM 158 CD1 TYR A 19 4.478 -3.216 4.664 1.00 0.00 C ATOM 159 CD2 TYR A 19 6.515 -2.161 5.339 1.00 0.00 C ATOM 160 CE1 TYR A 19 3.947 -1.938 4.267 1.00 0.00 C ATOM 161 CE2 TYR A 19 5.984 -0.883 4.942 1.00 0.00 C ATOM 162 CZ TYR A 19 4.726 -0.834 4.427 1.00 0.00 C ATOM 0 H TYR A 19 5.014 -5.798 3.961 1.00 0.00 H new ATOM 0 HA TYR A 19 7.547 -4.764 3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.505 -5.272 6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.027 -4.509 6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.880 -4.108 4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.511 -2.228 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.953 -1.857 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.571 0.017 5.051 1.00 0.00 H new ATOM 163 N LYS A 20 7.555 -7.608 5.338 1.00 0.00 N ATOM 164 CA LYS A 20 8.407 -8.635 5.912 1.00 0.00 C ATOM 165 C LYS A 20 9.411 -9.107 4.859 1.00 0.00 C ATOM 166 O LYS A 20 10.597 -8.788 4.938 1.00 0.00 O ATOM 167 CB LYS A 20 7.561 -9.764 6.504 1.00 0.00 C ATOM 168 CG LYS A 20 8.444 -10.810 7.189 1.00 0.00 C ATOM 169 CD LYS A 20 8.232 -10.797 8.705 1.00 0.00 C ATOM 170 CE LYS A 20 7.793 -12.175 9.208 1.00 0.00 C ATOM 171 NZ LYS A 20 8.200 -12.365 10.618 1.00 0.00 N ATOM 0 H LYS A 20 6.596 -7.903 5.156 1.00 0.00 H new ATOM 0 HA LYS A 20 8.984 -8.230 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.853 -9.353 7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.976 -10.237 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.215 -11.800 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.492 -10.612 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.156 -10.501 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.478 -10.054 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.711 -12.274 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.236 -12.954 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.895 -13.304 10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.235 -12.292 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.757 -11.633 11.209 1.00 0.00 H new ATOM 172 N LYS A 21 8.900 -9.859 3.894 1.00 0.00 N ATOM 173 CA LYS A 21 9.737 -10.377 2.826 1.00 0.00 C ATOM 174 C LYS A 21 10.731 -9.298 2.393 1.00 0.00 C ATOM 175 O LYS A 21 11.920 -9.572 2.232 1.00 0.00 O ATOM 176 CB LYS A 21 8.875 -10.914 1.682 1.00 0.00 C ATOM 177 CG LYS A 21 8.711 -12.432 1.784 1.00 0.00 C ATOM 178 CD LYS A 21 9.800 -13.156 0.989 1.00 0.00 C ATOM 179 CE LYS A 21 9.202 -13.900 -0.206 1.00 0.00 C ATOM 180 NZ LYS A 21 10.276 -14.424 -1.079 1.00 0.00 N ATOM 0 H LYS A 21 7.916 -10.121 3.830 1.00 0.00 H new ATOM 0 HA LYS A 21 10.322 -11.226 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.895 -10.437 1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.332 -10.658 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.756 -12.737 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.729 -12.721 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.540 -12.436 0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.321 -13.861 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.577 -14.721 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.558 -13.229 -0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.854 -14.926 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.856 -13.634 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.874 -15.080 -0.538 1.00 0.00 H new ATOM 181 N GLY A 22 10.208 -8.093 2.217 1.00 0.00 N ATOM 182 CA GLY A 22 11.035 -6.971 1.805 1.00 0.00 C ATOM 183 C GLY A 22 11.357 -7.047 0.311 1.00 0.00 C ATOM 184 O GLY A 22 12.134 -7.898 -0.117 1.00 0.00 O ATOM 0 H GLY A 22 9.222 -7.869 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.520 -6.035 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.961 -6.966 2.380 1.00 0.00 H new ATOM 185 N HIS A 23 10.744 -6.145 -0.440 1.00 0.00 N ATOM 186 CA HIS A 23 10.956 -6.098 -1.877 1.00 0.00 C ATOM 187 C HIS A 23 10.122 -4.967 -2.482 1.00 0.00 C ATOM 188 O HIS A 23 9.292 -5.204 -3.358 1.00 0.00 O ATOM 189 CB HIS A 23 10.663 -7.458 -2.514 1.00 0.00 C ATOM 190 CG HIS A 23 10.704 -7.451 -4.023 1.00 0.00 C ATOM 191 ND1 HIS A 23 10.536 -8.596 -4.783 1.00 0.00 N ATOM 192 CD2 HIS A 23 10.895 -6.428 -4.905 1.00 0.00 C ATOM 193 CE1 HIS A 23 10.624 -8.265 -6.063 1.00 0.00 C ATOM 194 NE2 HIS A 23 10.847 -6.921 -6.137 1.00 0.00 N ATOM 0 H HIS A 23 10.100 -5.440 -0.081 1.00 0.00 H new ATOM 0 HA HIS A 23 12.004 -5.882 -2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.387 -8.184 -2.145 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.679 -7.795 -2.189 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.058 -5.392 -4.645 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.535 -8.941 -6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 23 10.958 -6.384 -6.997 1.00 0.00 H new ATOM 195 N SER A 24 10.373 -3.762 -1.992 1.00 0.00 N ATOM 196 CA SER A 24 9.656 -2.594 -2.475 1.00 0.00 C ATOM 197 C SER A 24 10.592 -1.711 -3.302 1.00 0.00 C ATOM 198 O SER A 24 11.812 -1.832 -3.206 1.00 0.00 O ATOM 199 CB SER A 24 9.060 -1.795 -1.313 1.00 0.00 C ATOM 200 OG SER A 24 10.063 -1.342 -0.408 1.00 0.00 O ATOM 0 H SER A 24 11.063 -3.569 -1.266 1.00 0.00 H new ATOM 0 HA SER A 24 8.835 -2.933 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.512 -0.938 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.341 -2.415 -0.777 1.00 0.00 H new ATOM 0 HG SER A 24 9.661 -1.178 0.471 1.00 0.00 H new ATOM 201 N VAL A 25 9.984 -0.840 -4.095 1.00 0.00 N ATOM 202 CA VAL A 25 10.748 0.064 -4.938 1.00 0.00 C ATOM 203 C VAL A 25 10.113 1.455 -4.893 1.00 0.00 C ATOM 204 O VAL A 25 8.923 1.608 -5.163 1.00 0.00 O ATOM 205 CB VAL A 25 10.848 -0.502 -6.356 1.00 0.00 C ATOM 206 CG1 VAL A 25 11.691 -1.778 -6.378 1.00 0.00 C ATOM 207 CG2 VAL A 25 9.458 -0.751 -6.945 1.00 0.00 C ATOM 0 H VAL A 25 8.972 -0.741 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 25 11.769 0.160 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 25 11.348 0.239 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.746 -2.160 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.696 -1.556 -6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.232 -2.528 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.557 -1.153 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.921 -1.465 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.905 0.187 -6.981 1.00 0.00 H new ATOM 208 N ALA A 26 10.936 2.436 -4.549 1.00 0.00 N ATOM 209 CA ALA A 26 10.469 3.810 -4.465 1.00 0.00 C ATOM 210 C ALA A 26 11.038 4.609 -5.640 1.00 0.00 C ATOM 211 O ALA A 26 12.232 4.538 -5.924 1.00 0.00 O ATOM 212 CB ALA A 26 10.866 4.401 -3.111 1.00 0.00 C ATOM 0 H ALA A 26 11.923 2.306 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 26 9.382 3.852 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.516 5.431 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.414 3.814 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.951 4.379 -3.009 1.00 0.00 H new ATOM 213 N ASN A 27 10.154 5.352 -6.291 1.00 0.00 N ATOM 214 CA ASN A 27 10.553 6.163 -7.428 1.00 0.00 C ATOM 215 C ASN A 27 10.541 7.639 -7.025 1.00 0.00 C ATOM 216 O ASN A 27 10.859 7.977 -5.885 1.00 0.00 O ATOM 217 CB ASN A 27 9.583 5.987 -8.598 1.00 0.00 C ATOM 218 CG ASN A 27 8.275 6.740 -8.346 1.00 0.00 C ATOM 219 OD1 ASN A 27 7.718 6.723 -7.260 1.00 0.00 O ATOM 220 ND2 ASN A 27 7.818 7.401 -9.406 1.00 0.00 N ATOM 0 H ASN A 27 9.164 5.409 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 27 11.550 5.846 -7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.045 6.351 -9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.374 4.927 -8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.952 7.936 -9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.334 7.373 -10.286 1.00 0.00 H new ATOM 221 N ARG A 28 10.172 8.479 -7.981 1.00 0.00 N ATOM 222 CA ARG A 28 10.116 9.910 -7.739 1.00 0.00 C ATOM 223 C ARG A 28 9.654 10.189 -6.308 1.00 0.00 C ATOM 224 O ARG A 28 10.439 10.633 -5.473 1.00 0.00 O ATOM 225 CB ARG A 28 9.162 10.597 -8.719 1.00 0.00 C ATOM 226 CG ARG A 28 9.894 11.658 -9.543 1.00 0.00 C ATOM 227 CD ARG A 28 9.858 13.018 -8.843 1.00 0.00 C ATOM 228 NE ARG A 28 10.629 14.011 -9.624 1.00 0.00 N ATOM 229 CZ ARG A 28 11.965 14.107 -9.607 1.00 0.00 C ATOM 0 H ARG A 28 9.909 8.195 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 28 11.119 10.310 -7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.722 9.854 -9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.342 11.060 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.929 11.353 -9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.434 11.740 -10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.826 13.352 -8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.274 12.931 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 28 10.110 14.663 -10.212 1.00 0.00 H new ATOM 230 N GLN A 29 8.378 9.917 -6.068 1.00 0.00 N ATOM 231 CA GLN A 29 7.801 10.133 -4.752 1.00 0.00 C ATOM 232 C GLN A 29 6.776 9.042 -4.437 1.00 0.00 C ATOM 233 O GLN A 29 5.839 9.268 -3.673 1.00 0.00 O ATOM 234 CB GLN A 29 7.171 11.523 -4.652 1.00 0.00 C ATOM 235 CG GLN A 29 6.980 12.140 -6.038 1.00 0.00 C ATOM 236 CD GLN A 29 6.133 11.232 -6.932 1.00 0.00 C ATOM 237 OE1 GLN A 29 5.959 10.052 -6.674 1.00 0.00 O ATOM 238 NE2 GLN A 29 5.617 11.844 -7.994 1.00 0.00 N ATOM 0 H GLN A 29 7.729 9.549 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 29 8.600 10.078 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.209 11.454 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.805 12.171 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.499 13.114 -5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.952 12.308 -6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.802 12.835 -8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.037 11.323 -8.651 1.00 0.00 H new ATOM 239 N PHE A 30 6.990 7.882 -5.041 1.00 0.00 N ATOM 240 CA PHE A 30 6.096 6.755 -4.833 1.00 0.00 C ATOM 241 C PHE A 30 6.884 5.477 -4.540 1.00 0.00 C ATOM 242 O PHE A 30 8.020 5.328 -4.987 1.00 0.00 O ATOM 243 CB PHE A 30 5.306 6.566 -6.130 1.00 0.00 C ATOM 244 CG PHE A 30 3.788 6.546 -5.936 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.119 7.702 -5.688 1.00 0.00 C ATOM 246 CD2 PHE A 30 3.109 5.370 -6.014 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.710 7.683 -5.508 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.701 5.350 -5.834 1.00 0.00 C ATOM 249 CZ PHE A 30 1.031 6.507 -5.585 1.00 0.00 C ATOM 0 H PHE A 30 7.769 7.698 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 30 5.443 6.950 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.563 7.369 -6.821 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.615 5.632 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.658 8.636 -5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.641 4.451 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.178 8.602 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.162 4.416 -5.895 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.040 6.492 -5.448 1.00 0.00 H new ATOM 250 N VAL A 31 6.249 4.588 -3.790 1.00 0.00 N ATOM 251 CA VAL A 31 6.877 3.328 -3.431 1.00 0.00 C ATOM 252 C VAL A 31 5.869 2.192 -3.611 1.00 0.00 C ATOM 253 O VAL A 31 4.682 2.360 -3.333 1.00 0.00 O ATOM 254 CB VAL A 31 7.440 3.409 -2.011 1.00 0.00 C ATOM 255 CG1 VAL A 31 7.543 4.863 -1.544 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.599 2.579 -1.039 1.00 0.00 C ATOM 0 H VAL A 31 5.307 4.715 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 31 7.721 3.121 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 31 8.446 2.990 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.946 4.892 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.203 5.414 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.553 5.319 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.021 2.654 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.576 2.955 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.600 1.536 -1.356 1.00 0.00 H new ATOM 257 N VAL A 32 6.378 1.059 -4.072 1.00 0.00 N ATOM 258 CA VAL A 32 5.536 -0.105 -4.291 1.00 0.00 C ATOM 259 C VAL A 32 6.140 -1.310 -3.566 1.00 0.00 C ATOM 260 O VAL A 32 7.340 -1.562 -3.664 1.00 0.00 O ATOM 261 CB VAL A 32 5.350 -0.342 -5.791 1.00 0.00 C ATOM 262 CG1 VAL A 32 4.439 0.722 -6.406 1.00 0.00 C ATOM 263 CG2 VAL A 32 6.701 -0.390 -6.509 1.00 0.00 C ATOM 0 H VAL A 32 7.363 0.922 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 32 4.542 0.060 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 32 4.867 -1.310 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.324 0.530 -7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.462 0.688 -5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.881 1.708 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.541 -0.560 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.223 0.556 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.302 -1.201 -6.099 1.00 0.00 H new ATOM 264 N TYR A 33 5.279 -2.023 -2.853 1.00 0.00 N ATOM 265 CA TYR A 33 5.713 -3.195 -2.112 1.00 0.00 C ATOM 266 C TYR A 33 5.143 -4.475 -2.727 1.00 0.00 C ATOM 267 O TYR A 33 3.953 -4.546 -3.027 1.00 0.00 O ATOM 268 CB TYR A 33 5.153 -3.030 -0.697 1.00 0.00 C ATOM 269 CG TYR A 33 6.062 -2.235 0.242 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.025 -0.855 0.234 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.918 -2.896 1.099 1.00 0.00 C ATOM 272 CE1 TYR A 33 6.879 -0.106 1.119 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.773 -2.148 1.983 1.00 0.00 C ATOM 274 CZ TYR A 33 7.711 -0.790 1.949 1.00 0.00 C ATOM 0 H TYR A 33 4.284 -1.811 -2.773 1.00 0.00 H new ATOM 0 HA TYR A 33 6.800 -3.277 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.185 -2.533 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.979 -4.017 -0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.355 -0.337 -0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.946 -3.976 1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.859 0.974 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.448 -2.654 2.658 1.00 0.00 H new ATOM 275 N THR A 34 6.020 -5.453 -2.895 1.00 0.00 N ATOM 276 CA THR A 34 5.619 -6.727 -3.468 1.00 0.00 C ATOM 277 C THR A 34 6.253 -7.884 -2.695 1.00 0.00 C ATOM 278 O THR A 34 7.035 -7.663 -1.772 1.00 0.00 O ATOM 279 CB THR A 34 5.989 -6.714 -4.954 1.00 0.00 C ATOM 280 OG1 THR A 34 7.414 -6.739 -4.956 1.00 0.00 O ATOM 281 CG2 THR A 34 5.639 -5.389 -5.633 1.00 0.00 C ATOM 0 H THR A 34 7.007 -5.389 -2.645 1.00 0.00 H new ATOM 0 HA THR A 34 4.542 -6.875 -3.387 1.00 0.00 H new ATOM 0 HB THR A 34 5.475 -7.529 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.755 -6.002 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.922 -5.433 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.567 -5.211 -5.553 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.179 -4.577 -5.146 1.00 0.00 H new ATOM 282 N CYS A 35 5.892 -9.093 -3.099 1.00 0.00 N ATOM 283 CA CYS A 35 6.415 -10.285 -2.455 1.00 0.00 C ATOM 284 C CYS A 35 5.708 -10.453 -1.108 1.00 0.00 C ATOM 285 O CYS A 35 5.957 -9.695 -0.174 1.00 0.00 O ATOM 286 CB CYS A 35 7.936 -10.221 -2.297 1.00 0.00 C ATOM 287 SG CYS A 35 8.727 -11.507 -3.331 1.00 0.00 S ATOM 0 H CYS A 35 5.243 -9.272 -3.865 1.00 0.00 H new ATOM 0 HA CYS A 35 6.216 -11.156 -3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.299 -9.235 -2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.208 -10.365 -1.251 1.00 0.00 H new ATOM 0 HG CYS A 35 10.018 -11.443 -3.191 1.00 0.00 H new ATOM 338 N HIS A 42 -3.923 -13.568 -8.859 1.00 0.00 N ATOM 339 CA HIS A 42 -3.804 -12.844 -10.113 1.00 0.00 C ATOM 340 C HIS A 42 -3.163 -11.479 -9.858 1.00 0.00 C ATOM 341 O HIS A 42 -2.371 -11.000 -10.668 1.00 0.00 O ATOM 342 CB HIS A 42 -5.162 -12.738 -10.810 1.00 0.00 C ATOM 343 CG HIS A 42 -5.980 -14.007 -10.755 1.00 0.00 C ATOM 344 ND1 HIS A 42 -7.303 -14.063 -11.158 1.00 0.00 N ATOM 345 CD2 HIS A 42 -5.649 -15.263 -10.341 1.00 0.00 C ATOM 346 CE1 HIS A 42 -7.739 -15.303 -10.990 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.713 -16.045 -10.482 1.00 0.00 N ATOM 0 HA HIS A 42 -3.152 -13.393 -10.793 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.732 -11.930 -10.352 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.003 -12.465 -11.853 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.685 -15.570 -9.963 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.732 -15.663 -11.216 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.756 -17.037 -10.249 1.00 0.00 H new ATOM 348 N PHE A 43 -3.527 -10.890 -8.728 1.00 0.00 N ATOM 349 CA PHE A 43 -2.996 -9.590 -8.355 1.00 0.00 C ATOM 350 C PHE A 43 -3.657 -9.073 -7.076 1.00 0.00 C ATOM 351 O PHE A 43 -4.691 -9.591 -6.654 1.00 0.00 O ATOM 352 CB PHE A 43 -3.317 -8.631 -9.504 1.00 0.00 C ATOM 353 CG PHE A 43 -4.731 -8.048 -9.452 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.014 -7.025 -8.603 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.704 -8.554 -10.256 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.326 -6.485 -8.555 1.00 0.00 C ATOM 357 CE2 PHE A 43 -7.017 -8.014 -10.207 1.00 0.00 C ATOM 358 CZ PHE A 43 -7.300 -6.990 -9.358 1.00 0.00 C ATOM 0 H PHE A 43 -4.184 -11.290 -8.058 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.924 -9.664 -8.173 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.597 -7.813 -9.492 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.187 -9.157 -10.450 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.241 -6.623 -7.965 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.479 -9.366 -10.931 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.551 -5.672 -7.880 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.791 -8.417 -10.844 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.298 -6.578 -9.322 1.00 0.00 H new ATOM 359 N ARG A 44 -3.034 -8.059 -6.493 1.00 0.00 N ATOM 360 CA ARG A 44 -3.549 -7.468 -5.271 1.00 0.00 C ATOM 361 C ARG A 44 -3.515 -5.941 -5.364 1.00 0.00 C ATOM 362 O ARG A 44 -3.185 -5.387 -6.412 1.00 0.00 O ATOM 363 CB ARG A 44 -2.734 -7.915 -4.056 1.00 0.00 C ATOM 364 CG ARG A 44 -3.245 -9.251 -3.513 1.00 0.00 C ATOM 365 CD ARG A 44 -2.495 -10.424 -4.144 1.00 0.00 C ATOM 366 NE ARG A 44 -2.028 -11.352 -3.090 1.00 0.00 N ATOM 367 CZ ARG A 44 -2.837 -11.960 -2.212 1.00 0.00 C ATOM 0 H ARG A 44 -2.177 -7.632 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.578 -7.806 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.684 -8.009 -4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.791 -7.156 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.123 -9.278 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.312 -9.346 -3.716 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.147 -10.951 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.645 -10.056 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.027 -11.541 -3.028 1.00 0.00 H new ATOM 368 N LEU A 45 -3.862 -5.304 -4.256 1.00 0.00 N ATOM 369 CA LEU A 45 -3.875 -3.852 -4.200 1.00 0.00 C ATOM 370 C LEU A 45 -4.021 -3.402 -2.746 1.00 0.00 C ATOM 371 O LEU A 45 -5.100 -3.504 -2.165 1.00 0.00 O ATOM 372 CB LEU A 45 -4.955 -3.291 -5.127 1.00 0.00 C ATOM 373 CG LEU A 45 -4.454 -2.580 -6.387 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.482 -2.676 -7.516 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.070 -1.131 -6.083 1.00 0.00 C ATOM 0 H LEU A 45 -4.136 -5.767 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.930 -3.449 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.607 -4.110 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.567 -2.591 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.552 -3.087 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.101 -2.163 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.663 -3.724 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.415 -2.210 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.718 -0.649 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.940 -0.596 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.278 -1.114 -5.334 1.00 0.00 H new ATOM 376 N GLY A 46 -2.917 -2.915 -2.197 1.00 0.00 N ATOM 377 CA GLY A 46 -2.907 -2.450 -0.821 1.00 0.00 C ATOM 378 C GLY A 46 -3.307 -0.976 -0.737 1.00 0.00 C ATOM 379 O GLY A 46 -4.386 -0.648 -0.246 1.00 0.00 O ATOM 0 H GLY A 46 -2.023 -2.833 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.594 -3.051 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.913 -2.585 -0.395 1.00 0.00 H new ATOM 380 N ILE A 47 -2.415 -0.127 -1.224 1.00 0.00 N ATOM 381 CA ILE A 47 -2.662 1.306 -1.210 1.00 0.00 C ATOM 382 C ILE A 47 -2.472 1.838 0.212 1.00 0.00 C ATOM 383 O ILE A 47 -3.265 1.535 1.102 1.00 0.00 O ATOM 384 CB ILE A 47 -4.035 1.619 -1.806 1.00 0.00 C ATOM 385 CG1 ILE A 47 -4.297 0.773 -3.054 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.182 3.116 -2.088 1.00 0.00 C ATOM 387 CD1 ILE A 47 -5.572 -0.058 -2.894 1.00 0.00 C ATOM 0 H ILE A 47 -1.521 -0.402 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.941 1.823 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.795 1.353 -1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.388 1.422 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.449 0.113 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.167 3.311 -2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.069 3.674 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.414 3.430 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.736 -0.650 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.468 -0.723 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.422 0.606 -2.737 1.00 0.00 H new ATOM 388 N SER A 48 -1.418 2.623 0.380 1.00 0.00 N ATOM 389 CA SER A 48 -1.114 3.200 1.678 1.00 0.00 C ATOM 390 C SER A 48 -0.761 4.680 1.524 1.00 0.00 C ATOM 391 O SER A 48 -0.555 5.160 0.409 1.00 0.00 O ATOM 392 CB SER A 48 0.030 2.449 2.362 1.00 0.00 C ATOM 393 OG SER A 48 -0.447 1.429 3.235 1.00 0.00 O ATOM 0 H SER A 48 -0.764 2.873 -0.362 1.00 0.00 H new ATOM 0 HA SER A 48 -1.999 3.108 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.676 2.005 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.640 3.154 2.927 1.00 0.00 H new ATOM 0 HG SER A 48 -0.574 0.599 2.730 1.00 0.00 H new ATOM 394 N VAL A 49 -0.699 5.364 2.658 1.00 0.00 N ATOM 395 CA VAL A 49 -0.374 6.779 2.661 1.00 0.00 C ATOM 396 C VAL A 49 0.115 7.182 4.054 1.00 0.00 C ATOM 397 O VAL A 49 -0.325 6.621 5.056 1.00 0.00 O ATOM 398 CB VAL A 49 -1.579 7.595 2.190 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.515 9.027 2.726 1.00 0.00 C ATOM 400 CG2 VAL A 49 -1.686 7.585 0.664 1.00 0.00 C ATOM 0 H VAL A 49 -0.869 4.963 3.581 1.00 0.00 H new ATOM 0 HA VAL A 49 0.434 6.987 1.960 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.478 7.127 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.383 9.586 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.511 9.008 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.605 9.509 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.551 8.172 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.782 8.016 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.801 6.559 0.314 1.00 0.00 H new ATOM 401 N SER A 50 1.016 8.153 4.073 1.00 0.00 N ATOM 402 CA SER A 50 1.569 8.637 5.327 1.00 0.00 C ATOM 403 C SER A 50 0.770 9.847 5.816 1.00 0.00 C ATOM 404 O SER A 50 0.083 10.501 5.033 1.00 0.00 O ATOM 405 CB SER A 50 3.046 9.003 5.172 1.00 0.00 C ATOM 406 OG SER A 50 3.563 9.638 6.339 1.00 0.00 O ATOM 0 H SER A 50 1.377 8.618 3.240 1.00 0.00 H new ATOM 0 HA SER A 50 1.497 7.838 6.065 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.623 8.102 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.168 9.665 4.315 1.00 0.00 H new ATOM 0 HG SER A 50 4.538 9.710 6.267 1.00 0.00 H new ATOM 407 N LYS A 51 0.887 10.109 7.110 1.00 0.00 N ATOM 408 CA LYS A 51 0.186 11.228 7.714 1.00 0.00 C ATOM 409 C LYS A 51 1.110 12.446 7.746 1.00 0.00 C ATOM 410 O LYS A 51 0.706 13.526 8.176 1.00 0.00 O ATOM 411 CB LYS A 51 -0.365 10.838 9.087 1.00 0.00 C ATOM 412 CG LYS A 51 -1.591 9.932 8.950 1.00 0.00 C ATOM 413 CD LYS A 51 -1.563 8.811 9.989 1.00 0.00 C ATOM 414 CE LYS A 51 -1.650 7.438 9.318 1.00 0.00 C ATOM 415 NZ LYS A 51 -0.713 6.488 9.958 1.00 0.00 N ATOM 0 H LYS A 51 1.458 9.564 7.757 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.682 11.502 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.408 10.326 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.633 11.736 9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.499 10.522 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.621 9.503 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.646 8.876 10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.394 8.933 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.669 7.056 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.416 7.530 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.785 5.562 9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.259 6.846 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.954 6.388 10.965 1.00 0.00 H new ATOM 416 N LYS A 52 2.334 12.233 7.285 1.00 0.00 N ATOM 417 CA LYS A 52 3.319 13.301 7.255 1.00 0.00 C ATOM 418 C LYS A 52 3.158 14.102 5.962 1.00 0.00 C ATOM 419 O LYS A 52 3.648 15.225 5.858 1.00 0.00 O ATOM 420 CB LYS A 52 4.727 12.736 7.458 1.00 0.00 C ATOM 421 CG LYS A 52 5.293 13.152 8.817 1.00 0.00 C ATOM 422 CD LYS A 52 6.465 12.254 9.220 1.00 0.00 C ATOM 423 CE LYS A 52 6.168 11.520 10.530 1.00 0.00 C ATOM 424 NZ LYS A 52 5.231 10.399 10.294 1.00 0.00 N ATOM 0 H LYS A 52 2.666 11.337 6.929 1.00 0.00 H new ATOM 0 HA LYS A 52 3.156 13.993 8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.700 11.649 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.383 13.090 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.623 14.190 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.510 13.096 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.661 11.530 8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.367 12.856 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.095 11.142 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.740 12.214 11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.040 9.911 11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.340 10.767 9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.654 9.729 9.620 1.00 0.00 H new ATOM 425 N LEU A 53 2.469 13.493 5.007 1.00 0.00 N ATOM 426 CA LEU A 53 2.237 14.135 3.725 1.00 0.00 C ATOM 427 C LEU A 53 1.723 15.557 3.957 1.00 0.00 C ATOM 428 O LEU A 53 2.407 16.529 3.636 1.00 0.00 O ATOM 429 CB LEU A 53 1.311 13.280 2.858 1.00 0.00 C ATOM 430 CG LEU A 53 1.995 12.230 1.980 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.108 10.995 1.811 1.00 0.00 C ATOM 432 CD2 LEU A 53 2.410 12.827 0.633 1.00 0.00 C ATOM 0 H LEU A 53 2.064 12.561 5.096 1.00 0.00 H new ATOM 0 HA LEU A 53 3.170 14.220 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.601 12.772 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.734 13.943 2.214 1.00 0.00 H new ATOM 0 HG LEU A 53 2.906 11.906 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.618 10.264 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.906 10.556 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.168 11.284 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.894 12.060 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.527 13.197 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.105 13.650 0.799 1.00 0.00 H new ATOM 433 N GLY A 54 0.523 15.636 4.514 1.00 0.00 N ATOM 434 CA GLY A 54 -0.090 16.922 4.794 1.00 0.00 C ATOM 435 C GLY A 54 -1.532 16.750 5.276 1.00 0.00 C ATOM 436 O GLY A 54 -1.767 16.446 6.445 1.00 0.00 O ATOM 0 H GLY A 54 -0.041 14.829 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.490 17.448 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.074 17.539 3.896 1.00 0.00 H new ATOM 437 N ASN A 55 -2.460 16.949 4.352 1.00 0.00 N ATOM 438 CA ASN A 55 -3.872 16.820 4.668 1.00 0.00 C ATOM 439 C ASN A 55 -4.390 15.485 4.129 1.00 0.00 C ATOM 440 O ASN A 55 -3.605 14.619 3.745 1.00 0.00 O ATOM 441 CB ASN A 55 -4.687 17.940 4.019 1.00 0.00 C ATOM 442 CG ASN A 55 -3.771 18.963 3.343 1.00 0.00 C ATOM 443 OD1 ASN A 55 -3.289 19.902 3.953 1.00 0.00 O ATOM 444 ND2 ASN A 55 -3.562 18.729 2.050 1.00 0.00 N ATOM 0 H ASN A 55 -2.261 17.199 3.383 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.982 16.876 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.372 17.517 3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.297 18.436 4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.967 19.355 1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.997 17.923 1.601 1.00 0.00 H new ATOM 445 N ALA A 56 -5.709 15.360 4.117 1.00 0.00 N ATOM 446 CA ALA A 56 -6.341 14.145 3.631 1.00 0.00 C ATOM 447 C ALA A 56 -6.705 14.320 2.155 1.00 0.00 C ATOM 448 O ALA A 56 -6.862 13.338 1.431 1.00 0.00 O ATOM 449 CB ALA A 56 -7.561 13.824 4.497 1.00 0.00 C ATOM 0 H ALA A 56 -6.357 16.080 4.436 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.656 13.300 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.036 12.913 4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.246 13.681 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.271 14.649 4.445 1.00 0.00 H new ATOM 450 N VAL A 57 -6.826 15.577 1.753 1.00 0.00 N ATOM 451 CA VAL A 57 -7.167 15.892 0.376 1.00 0.00 C ATOM 452 C VAL A 57 -6.069 15.366 -0.550 1.00 0.00 C ATOM 453 O VAL A 57 -6.311 15.126 -1.733 1.00 0.00 O ATOM 454 CB VAL A 57 -7.404 17.396 0.227 1.00 0.00 C ATOM 455 CG1 VAL A 57 -6.078 18.155 0.143 1.00 0.00 C ATOM 456 CG2 VAL A 57 -8.285 17.695 -0.987 1.00 0.00 C ATOM 0 H VAL A 57 -6.694 16.389 2.356 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.097 15.400 0.091 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.931 17.741 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.275 19.222 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.501 17.981 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.512 17.804 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.438 18.771 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.797 17.327 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.249 17.200 -0.868 1.00 0.00 H new ATOM 457 N LEU A 58 -4.884 15.201 0.022 1.00 0.00 N ATOM 458 CA LEU A 58 -3.749 14.707 -0.738 1.00 0.00 C ATOM 459 C LEU A 58 -3.767 13.177 -0.737 1.00 0.00 C ATOM 460 O LEU A 58 -3.421 12.549 -1.736 1.00 0.00 O ATOM 461 CB LEU A 58 -2.447 15.307 -0.206 1.00 0.00 C ATOM 462 CG LEU A 58 -2.184 15.121 1.290 1.00 0.00 C ATOM 463 CD1 LEU A 58 -2.023 13.640 1.638 1.00 0.00 C ATOM 464 CD2 LEU A 58 -0.981 15.950 1.743 1.00 0.00 C ATOM 0 H LEU A 58 -4.686 15.401 1.003 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.819 15.026 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.616 14.868 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.446 16.375 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.052 15.488 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.837 13.536 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.934 13.103 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.183 13.225 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.816 15.799 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.095 15.637 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.174 17.006 1.551 1.00 0.00 H new ATOM 465 N ARG A 59 -4.172 12.623 0.395 1.00 0.00 N ATOM 466 CA ARG A 59 -4.239 11.178 0.540 1.00 0.00 C ATOM 467 C ARG A 59 -5.441 10.624 -0.229 1.00 0.00 C ATOM 468 O ARG A 59 -5.599 9.409 -0.347 1.00 0.00 O ATOM 469 CB ARG A 59 -4.354 10.776 2.011 1.00 0.00 C ATOM 470 CG ARG A 59 -5.811 10.804 2.476 1.00 0.00 C ATOM 471 CD ARG A 59 -6.335 9.387 2.721 1.00 0.00 C ATOM 472 NE ARG A 59 -6.083 8.990 4.124 1.00 0.00 N ATOM 473 CZ ARG A 59 -6.161 7.731 4.574 1.00 0.00 C ATOM 0 H ARG A 59 -4.457 13.148 1.222 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.318 10.761 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.943 9.776 2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.760 11.454 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.893 11.390 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.427 11.299 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.403 9.344 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.846 8.687 2.043 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.834 9.721 4.790 1.00 0.00 H new ATOM 474 N ASN A 60 -6.256 11.539 -0.730 1.00 0.00 N ATOM 475 CA ASN A 60 -7.438 11.157 -1.483 1.00 0.00 C ATOM 476 C ASN A 60 -7.090 11.090 -2.972 1.00 0.00 C ATOM 477 O ASN A 60 -7.699 10.328 -3.722 1.00 0.00 O ATOM 478 CB ASN A 60 -8.560 12.182 -1.307 1.00 0.00 C ATOM 479 CG ASN A 60 -9.788 11.544 -0.653 1.00 0.00 C ATOM 480 OD1 ASN A 60 -10.310 10.538 -1.103 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.218 12.183 0.431 1.00 0.00 N ATOM 0 H ASN A 60 -6.121 12.545 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.773 10.188 -1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.207 13.011 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.834 12.597 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.031 11.835 0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.734 13.021 0.755 1.00 0.00 H new ATOM 482 N LYS A 61 -6.111 11.897 -3.355 1.00 0.00 N ATOM 483 CA LYS A 61 -5.676 11.940 -4.740 1.00 0.00 C ATOM 484 C LYS A 61 -4.611 10.864 -4.968 1.00 0.00 C ATOM 485 O LYS A 61 -4.526 10.291 -6.053 1.00 0.00 O ATOM 486 CB LYS A 61 -5.213 13.350 -5.115 1.00 0.00 C ATOM 487 CG LYS A 61 -5.621 13.698 -6.547 1.00 0.00 C ATOM 488 CD LYS A 61 -6.384 15.024 -6.592 1.00 0.00 C ATOM 489 CE LYS A 61 -7.478 14.990 -7.661 1.00 0.00 C ATOM 490 NZ LYS A 61 -8.687 15.702 -7.189 1.00 0.00 N ATOM 0 H LYS A 61 -5.607 12.526 -2.730 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.508 11.715 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.645 14.074 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.130 13.420 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.733 13.763 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.243 12.902 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.829 15.225 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.692 15.839 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.112 15.451 -8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.728 13.957 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.419 15.669 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.044 15.245 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.448 16.693 -6.982 1.00 0.00 H new ATOM 491 N ILE A 62 -3.828 10.621 -3.928 1.00 0.00 N ATOM 492 CA ILE A 62 -2.774 9.624 -4.001 1.00 0.00 C ATOM 493 C ILE A 62 -3.400 8.231 -4.089 1.00 0.00 C ATOM 494 O ILE A 62 -2.882 7.356 -4.780 1.00 0.00 O ATOM 495 CB ILE A 62 -1.800 9.788 -2.832 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.844 10.958 -3.074 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.049 8.483 -2.557 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.048 11.287 -1.809 1.00 0.00 C ATOM 0 H ILE A 62 -3.902 11.098 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.179 9.764 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.377 10.023 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.159 10.711 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.409 11.835 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.363 8.627 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.763 7.698 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.485 8.194 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.624 12.122 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.735 11.557 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.535 10.416 -1.509 1.00 0.00 H new ATOM 499 N LYS A 63 -4.506 8.068 -3.379 1.00 0.00 N ATOM 500 CA LYS A 63 -5.209 6.797 -3.368 1.00 0.00 C ATOM 501 C LYS A 63 -6.156 6.733 -4.568 1.00 0.00 C ATOM 502 O LYS A 63 -6.285 5.689 -5.207 1.00 0.00 O ATOM 503 CB LYS A 63 -5.906 6.581 -2.022 1.00 0.00 C ATOM 504 CG LYS A 63 -7.322 7.159 -2.039 1.00 0.00 C ATOM 505 CD LYS A 63 -8.291 6.216 -2.754 1.00 0.00 C ATOM 506 CE LYS A 63 -9.338 5.666 -1.783 1.00 0.00 C ATOM 507 NZ LYS A 63 -9.126 4.219 -1.557 1.00 0.00 N ATOM 0 H LYS A 63 -4.933 8.796 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.505 5.971 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.947 5.515 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.326 7.053 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.662 7.329 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.317 8.128 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.787 6.746 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.737 5.391 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.279 6.201 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.338 5.835 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.845 3.862 -0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.205 3.711 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.179 4.065 -1.155 1.00 0.00 H new ATOM 508 N ARG A 64 -6.796 7.861 -4.838 1.00 0.00 N ATOM 509 CA ARG A 64 -7.727 7.946 -5.949 1.00 0.00 C ATOM 510 C ARG A 64 -7.034 7.547 -7.254 1.00 0.00 C ATOM 511 O ARG A 64 -7.403 6.554 -7.879 1.00 0.00 O ATOM 512 CB ARG A 64 -8.289 9.362 -6.091 1.00 0.00 C ATOM 513 CG ARG A 64 -8.812 9.606 -7.508 1.00 0.00 C ATOM 514 CD ARG A 64 -10.036 10.525 -7.490 1.00 0.00 C ATOM 515 NE ARG A 64 -10.626 10.607 -8.845 1.00 0.00 N ATOM 516 CZ ARG A 64 -11.776 11.233 -9.127 1.00 0.00 C ATOM 0 H ARG A 64 -6.688 8.724 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.549 7.260 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.094 9.511 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.513 10.090 -5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.026 10.053 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.074 8.655 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.775 10.146 -6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.750 11.520 -7.148 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.125 10.159 -9.612 1.00 0.00 H new ATOM 517 N ALA A 65 -6.042 8.342 -7.627 1.00 0.00 N ATOM 518 CA ALA A 65 -5.294 8.085 -8.846 1.00 0.00 C ATOM 519 C ALA A 65 -4.729 6.664 -8.801 1.00 0.00 C ATOM 520 O ALA A 65 -4.585 6.017 -9.838 1.00 0.00 O ATOM 521 CB ALA A 65 -4.200 9.143 -9.007 1.00 0.00 C ATOM 0 H ALA A 65 -5.739 9.165 -7.106 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.945 8.154 -9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.639 8.950 -9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.655 10.132 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.525 9.102 -8.152 1.00 0.00 H new ATOM 522 N ILE A 66 -4.424 6.220 -7.591 1.00 0.00 N ATOM 523 CA ILE A 66 -3.878 4.887 -7.398 1.00 0.00 C ATOM 524 C ILE A 66 -4.847 3.855 -7.980 1.00 0.00 C ATOM 525 O ILE A 66 -4.424 2.896 -8.623 1.00 0.00 O ATOM 526 CB ILE A 66 -3.542 4.654 -5.924 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.072 4.969 -5.640 1.00 0.00 C ATOM 528 CG2 ILE A 66 -3.917 3.234 -5.495 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.790 4.960 -4.137 1.00 0.00 C ATOM 0 H ILE A 66 -4.545 6.760 -6.734 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.936 4.779 -7.936 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.140 5.341 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.437 4.236 -6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.819 5.944 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.668 3.094 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.987 3.081 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.364 2.514 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.738 5.187 -3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.409 5.711 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.021 3.976 -3.729 1.00 0.00 H new ATOM 530 N ARG A 67 -6.128 4.086 -7.731 1.00 0.00 N ATOM 531 CA ARG A 67 -7.159 3.189 -8.222 1.00 0.00 C ATOM 532 C ARG A 67 -7.701 3.686 -9.563 1.00 0.00 C ATOM 533 O ARG A 67 -8.697 3.166 -10.065 1.00 0.00 O ATOM 534 CB ARG A 67 -8.312 3.077 -7.223 1.00 0.00 C ATOM 535 CG ARG A 67 -8.834 1.641 -7.146 1.00 0.00 C ATOM 536 CD ARG A 67 -9.919 1.509 -6.074 1.00 0.00 C ATOM 537 NE ARG A 67 -11.039 2.428 -6.372 1.00 0.00 N ATOM 538 CZ ARG A 67 -12.028 2.152 -7.234 1.00 0.00 C ATOM 0 H ARG A 67 -6.475 4.882 -7.195 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.708 2.205 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.976 3.399 -6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.120 3.746 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.236 1.344 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.011 0.963 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.281 0.482 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.502 1.737 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.060 3.328 -5.892 1.00 0.00 H new ATOM 539 N GLU A 68 -7.023 4.687 -10.106 1.00 0.00 N ATOM 540 CA GLU A 68 -7.425 5.260 -11.378 1.00 0.00 C ATOM 541 C GLU A 68 -6.569 4.690 -12.511 1.00 0.00 C ATOM 542 O GLU A 68 -6.935 4.790 -13.681 1.00 0.00 O ATOM 543 CB GLU A 68 -7.340 6.787 -11.343 1.00 0.00 C ATOM 544 CG GLU A 68 -8.309 7.413 -12.349 1.00 0.00 C ATOM 545 CD GLU A 68 -8.050 8.915 -12.496 1.00 0.00 C ATOM 546 OE1 GLU A 68 -7.602 9.515 -11.496 1.00 0.00 O ATOM 547 OE2 GLU A 68 -8.309 9.428 -13.607 1.00 0.00 O ATOM 0 H GLU A 68 -6.197 5.115 -9.687 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.465 4.991 -11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.570 7.145 -10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.322 7.103 -11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.200 6.925 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.336 7.247 -12.022 1.00 0.00 H new ATOM 548 N ASN A 69 -5.446 4.103 -12.123 1.00 0.00 N ATOM 549 CA ASN A 69 -4.536 3.516 -13.091 1.00 0.00 C ATOM 550 C ASN A 69 -4.462 2.005 -12.865 1.00 0.00 C ATOM 551 O ASN A 69 -3.820 1.289 -13.632 1.00 0.00 O ATOM 552 CB ASN A 69 -3.124 4.086 -12.937 1.00 0.00 C ATOM 553 CG ASN A 69 -2.281 3.810 -14.183 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.309 3.074 -14.155 1.00 0.00 O ATOM 555 ND2 ASN A 69 -2.708 4.438 -15.275 1.00 0.00 N ATOM 0 H ASN A 69 -5.146 4.022 -11.151 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.911 3.746 -14.088 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.179 5.160 -12.762 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.643 3.645 -12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.214 4.317 -16.159 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.530 5.040 -15.228 1.00 0.00 H new ATOM 556 N PHE A 70 -5.127 1.564 -11.807 1.00 0.00 N ATOM 557 CA PHE A 70 -5.145 0.151 -11.470 1.00 0.00 C ATOM 558 C PHE A 70 -6.436 -0.513 -11.955 1.00 0.00 C ATOM 559 O PHE A 70 -6.437 -1.692 -12.306 1.00 0.00 O ATOM 560 CB PHE A 70 -5.078 0.055 -9.944 1.00 0.00 C ATOM 561 CG PHE A 70 -3.777 -0.551 -9.415 1.00 0.00 C ATOM 562 CD1 PHE A 70 -3.601 -1.900 -9.425 1.00 0.00 C ATOM 563 CD2 PHE A 70 -2.797 0.259 -8.933 1.00 0.00 C ATOM 564 CE1 PHE A 70 -2.393 -2.462 -8.934 1.00 0.00 C ATOM 565 CE2 PHE A 70 -1.588 -0.303 -8.442 1.00 0.00 C ATOM 566 CZ PHE A 70 -1.413 -1.652 -8.453 1.00 0.00 C ATOM 0 H PHE A 70 -5.657 2.161 -11.172 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.307 -0.356 -11.947 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.200 1.052 -9.522 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.916 -0.545 -9.591 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.380 -2.543 -9.806 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.938 1.330 -8.923 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.253 -3.533 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.809 0.340 -8.060 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.495 -2.080 -8.079 1.00 0.00 H new ATOM 567 N LYS A 71 -7.501 0.274 -11.962 1.00 0.00 N ATOM 568 CA LYS A 71 -8.795 -0.223 -12.398 1.00 0.00 C ATOM 569 C LYS A 71 -8.740 -0.529 -13.896 1.00 0.00 C ATOM 570 O LYS A 71 -9.666 -1.123 -14.446 1.00 0.00 O ATOM 571 CB LYS A 71 -9.904 0.758 -12.012 1.00 0.00 C ATOM 572 CG LYS A 71 -9.760 2.077 -12.774 1.00 0.00 C ATOM 573 CD LYS A 71 -10.845 3.072 -12.361 1.00 0.00 C ATOM 574 CE LYS A 71 -11.871 3.262 -13.482 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.009 4.697 -13.819 1.00 0.00 N ATOM 0 H LYS A 71 -7.495 1.252 -11.673 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.035 -1.157 -11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.877 0.315 -12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.869 0.948 -10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.777 2.506 -12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.823 1.890 -13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.346 2.716 -11.461 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.389 4.031 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.562 2.703 -14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.836 2.860 -13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.708 4.809 -14.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.325 5.222 -12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.091 5.069 -14.135 1.00 0.00 H new ATOM 576 N VAL A 72 -7.645 -0.110 -14.513 1.00 0.00 N ATOM 577 CA VAL A 72 -7.456 -0.333 -15.936 1.00 0.00 C ATOM 578 C VAL A 72 -6.422 -1.441 -16.143 1.00 0.00 C ATOM 579 O VAL A 72 -6.660 -2.385 -16.896 1.00 0.00 O ATOM 580 CB VAL A 72 -7.071 0.979 -16.625 1.00 0.00 C ATOM 581 CG1 VAL A 72 -6.269 1.877 -15.682 1.00 0.00 C ATOM 582 CG2 VAL A 72 -6.299 0.713 -17.918 1.00 0.00 C ATOM 0 H VAL A 72 -6.879 0.383 -14.053 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.386 -0.667 -16.396 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.990 1.503 -16.886 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.008 2.802 -16.195 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.869 2.107 -14.801 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.358 1.362 -15.376 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.038 1.661 -18.387 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.389 0.158 -17.691 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.919 0.130 -18.599 1.00 0.00 H new ATOM 583 N HIS A 73 -5.296 -1.292 -15.460 1.00 0.00 N ATOM 584 CA HIS A 73 -4.227 -2.269 -15.558 1.00 0.00 C ATOM 585 C HIS A 73 -4.554 -3.480 -14.683 1.00 0.00 C ATOM 586 O HIS A 73 -3.784 -4.438 -14.628 1.00 0.00 O ATOM 587 CB HIS A 73 -2.878 -1.634 -15.211 1.00 0.00 C ATOM 588 CG HIS A 73 -2.389 -0.632 -16.230 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.498 -0.960 -17.236 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.678 0.691 -16.387 1.00 0.00 C ATOM 591 CE1 HIS A 73 -1.268 0.125 -17.960 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.999 1.147 -17.432 1.00 0.00 N ATOM 0 H HIS A 73 -5.102 -0.509 -14.836 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.145 -2.621 -16.586 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -2.959 -1.141 -14.242 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.133 -2.423 -15.106 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.346 1.270 -15.766 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.616 0.189 -18.818 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.021 2.105 -17.782 1.00 0.00 H new ATOM 593 N LYS A 74 -5.699 -3.399 -14.022 1.00 0.00 N ATOM 594 CA LYS A 74 -6.139 -4.477 -13.153 1.00 0.00 C ATOM 595 C LYS A 74 -5.881 -5.819 -13.841 1.00 0.00 C ATOM 596 O LYS A 74 -5.505 -6.793 -13.190 1.00 0.00 O ATOM 597 CB LYS A 74 -7.597 -4.269 -12.737 1.00 0.00 C ATOM 598 CG LYS A 74 -8.202 -5.565 -12.193 1.00 0.00 C ATOM 599 CD LYS A 74 -9.657 -5.355 -11.770 1.00 0.00 C ATOM 600 CE LYS A 74 -10.616 -6.044 -12.742 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.753 -5.154 -13.069 1.00 0.00 N ATOM 0 H LYS A 74 -6.336 -2.603 -14.071 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.565 -4.478 -12.227 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.655 -3.490 -11.977 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.177 -3.924 -13.593 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.150 -6.343 -12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.618 -5.913 -11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.808 -5.749 -10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.878 -4.288 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.085 -6.315 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.986 -6.970 -12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.394 -5.638 -13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.269 -4.916 -12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.396 -4.282 -13.509 1.00 0.00 H new ATOM 602 N SER A 75 -6.095 -5.828 -15.149 1.00 0.00 N ATOM 603 CA SER A 75 -5.890 -7.035 -15.931 1.00 0.00 C ATOM 604 C SER A 75 -4.438 -7.109 -16.408 1.00 0.00 C ATOM 605 O SER A 75 -3.911 -8.197 -16.638 1.00 0.00 O ATOM 606 CB SER A 75 -6.845 -7.084 -17.126 1.00 0.00 C ATOM 607 OG SER A 75 -7.738 -8.193 -17.051 1.00 0.00 O ATOM 0 H SER A 75 -6.408 -5.019 -15.686 1.00 0.00 H new ATOM 0 HA SER A 75 -6.101 -7.895 -15.296 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.419 -6.159 -17.169 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.268 -7.145 -18.049 1.00 0.00 H new ATOM 0 HG SER A 75 -8.332 -8.188 -17.830 1.00 0.00 H new ATOM 608 N HIS A 76 -3.832 -5.938 -16.544 1.00 0.00 N ATOM 609 CA HIS A 76 -2.452 -5.858 -16.990 1.00 0.00 C ATOM 610 C HIS A 76 -1.533 -6.457 -15.923 1.00 0.00 C ATOM 611 O HIS A 76 -0.621 -7.219 -16.242 1.00 0.00 O ATOM 612 CB HIS A 76 -2.081 -4.417 -17.350 1.00 0.00 C ATOM 613 CG HIS A 76 -2.897 -3.838 -18.482 1.00 0.00 C ATOM 614 ND1 HIS A 76 -2.326 -3.358 -19.648 1.00 0.00 N ATOM 615 CD2 HIS A 76 -4.243 -3.669 -18.614 1.00 0.00 C ATOM 616 CE1 HIS A 76 -3.294 -2.921 -20.438 1.00 0.00 C ATOM 617 NE2 HIS A 76 -4.482 -3.113 -19.796 1.00 0.00 N ATOM 0 H HIS A 76 -4.272 -5.038 -16.353 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.325 -6.444 -17.900 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.205 -3.789 -16.468 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.026 -4.381 -17.621 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.989 -3.941 -17.882 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.166 -2.488 -21.419 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.402 -2.870 -20.163 1.00 0.00 H new ATOM 618 N ILE A 77 -1.804 -6.089 -14.679 1.00 0.00 N ATOM 619 CA ILE A 77 -1.012 -6.582 -13.565 1.00 0.00 C ATOM 620 C ILE A 77 -1.037 -8.112 -13.563 1.00 0.00 C ATOM 621 O ILE A 77 -1.965 -8.722 -14.093 1.00 0.00 O ATOM 622 CB ILE A 77 -1.490 -5.958 -12.252 1.00 0.00 C ATOM 623 CG1 ILE A 77 -0.970 -4.526 -12.104 1.00 0.00 C ATOM 624 CG2 ILE A 77 -1.106 -6.833 -11.057 1.00 0.00 C ATOM 625 CD1 ILE A 77 -0.956 -3.806 -13.454 1.00 0.00 C ATOM 0 H ILE A 77 -2.560 -5.456 -14.418 1.00 0.00 H new ATOM 0 HA ILE A 77 0.030 -6.281 -13.675 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.578 -5.905 -12.276 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.598 -3.978 -11.402 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.036 -4.542 -11.686 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.457 -6.367 -10.137 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.564 -7.816 -11.164 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.022 -6.941 -11.018 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.582 -2.791 -13.321 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.308 -4.343 -14.146 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.968 -3.770 -13.858 1.00 0.00 H new ATOM 626 N LEU A 78 -0.006 -8.687 -12.962 1.00 0.00 N ATOM 627 CA LEU A 78 0.102 -10.135 -12.885 1.00 0.00 C ATOM 628 C LEU A 78 0.033 -10.569 -11.419 1.00 0.00 C ATOM 629 O LEU A 78 0.075 -9.733 -10.518 1.00 0.00 O ATOM 630 CB LEU A 78 1.358 -10.618 -13.612 1.00 0.00 C ATOM 631 CG LEU A 78 2.331 -9.528 -14.066 1.00 0.00 C ATOM 632 CD1 LEU A 78 1.647 -8.544 -15.017 1.00 0.00 C ATOM 633 CD2 LEU A 78 2.961 -8.820 -12.865 1.00 0.00 C ATOM 0 H LEU A 78 0.762 -8.178 -12.524 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.736 -10.608 -13.398 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.893 -11.304 -12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.050 -11.190 -14.487 1.00 0.00 H new ATOM 0 HG LEU A 78 3.140 -10.003 -14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.361 -7.780 -15.325 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.286 -9.078 -15.896 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.806 -8.072 -14.509 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.648 -8.050 -13.216 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.178 -8.360 -12.262 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.506 -9.545 -12.260 1.00 0.00 H new ATOM 634 N ALA A 79 -0.069 -11.876 -11.228 1.00 0.00 N ATOM 635 CA ALA A 79 -0.143 -12.431 -9.886 1.00 0.00 C ATOM 636 C ALA A 79 1.143 -12.096 -9.128 1.00 0.00 C ATOM 637 O ALA A 79 2.190 -12.687 -9.383 1.00 0.00 O ATOM 638 CB ALA A 79 -0.392 -13.939 -9.971 1.00 0.00 C ATOM 0 H ALA A 79 -0.102 -12.566 -11.978 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.975 -11.992 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.448 -14.356 -8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.331 -14.124 -10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.425 -14.413 -10.515 1.00 0.00 H new ATOM 639 N LYS A 80 1.020 -11.147 -8.211 1.00 0.00 N ATOM 640 CA LYS A 80 2.160 -10.724 -7.415 1.00 0.00 C ATOM 641 C LYS A 80 1.734 -9.583 -6.489 1.00 0.00 C ATOM 642 O LYS A 80 1.584 -8.445 -6.929 1.00 0.00 O ATOM 643 CB LYS A 80 3.344 -10.375 -8.316 1.00 0.00 C ATOM 644 CG LYS A 80 4.639 -10.999 -7.789 1.00 0.00 C ATOM 645 CD LYS A 80 4.681 -12.501 -8.081 1.00 0.00 C ATOM 646 CE LYS A 80 4.967 -12.764 -9.560 1.00 0.00 C ATOM 647 NZ LYS A 80 4.261 -13.982 -10.016 1.00 0.00 N ATOM 0 H LYS A 80 0.149 -10.659 -8.002 1.00 0.00 H new ATOM 0 HA LYS A 80 2.504 -11.540 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.151 -10.729 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.455 -9.292 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.497 -10.511 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.717 -10.831 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.450 -12.973 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.730 -12.956 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.650 -11.908 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.040 -12.879 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.506 -14.175 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.546 -14.790 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.234 -13.839 -9.935 1.00 0.00 H new ATOM 648 N ASP A 81 1.551 -9.928 -5.222 1.00 0.00 N ATOM 649 CA ASP A 81 1.146 -8.947 -4.231 1.00 0.00 C ATOM 650 C ASP A 81 1.763 -7.591 -4.580 1.00 0.00 C ATOM 651 O ASP A 81 2.980 -7.475 -4.712 1.00 0.00 O ATOM 652 CB ASP A 81 1.631 -9.341 -2.834 1.00 0.00 C ATOM 653 CG ASP A 81 0.708 -8.927 -1.688 1.00 0.00 C ATOM 654 OD1 ASP A 81 0.736 -7.726 -1.342 1.00 0.00 O ATOM 655 OD2 ASP A 81 -0.007 -9.820 -1.183 1.00 0.00 O ATOM 0 H ASP A 81 1.676 -10.873 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 81 0.057 -8.896 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.761 -10.423 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.613 -8.897 -2.668 1.00 0.00 H new ATOM 656 N ILE A 82 0.894 -6.599 -4.719 1.00 0.00 N ATOM 657 CA ILE A 82 1.338 -5.256 -5.049 1.00 0.00 C ATOM 658 C ILE A 82 0.736 -4.265 -4.052 1.00 0.00 C ATOM 659 O ILE A 82 -0.405 -4.425 -3.624 1.00 0.00 O ATOM 660 CB ILE A 82 1.018 -4.930 -6.510 1.00 0.00 C ATOM 661 CG1 ILE A 82 1.833 -3.730 -6.995 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.484 -4.722 -6.708 1.00 0.00 C ATOM 663 CD1 ILE A 82 1.303 -2.427 -6.391 1.00 0.00 C ATOM 0 H ILE A 82 -0.115 -6.700 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 82 2.422 -5.180 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 82 1.308 -5.784 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.880 -3.862 -6.722 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.792 -3.674 -8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.685 -4.492 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.017 -5.630 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.822 -3.895 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.900 -1.589 -6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.263 -2.286 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.368 -2.477 -5.304 1.00 0.00 H new ATOM 664 N ILE A 83 1.532 -3.260 -3.712 1.00 0.00 N ATOM 665 CA ILE A 83 1.091 -2.243 -2.772 1.00 0.00 C ATOM 666 C ILE A 83 1.900 -0.963 -2.998 1.00 0.00 C ATOM 667 O ILE A 83 3.096 -0.923 -2.713 1.00 0.00 O ATOM 668 CB ILE A 83 1.163 -2.770 -1.338 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.231 -3.969 -1.147 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.876 -1.656 -0.329 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.098 -4.330 0.333 1.00 0.00 C ATOM 0 H ILE A 83 2.478 -3.129 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 83 0.043 -1.995 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 83 2.179 -3.118 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.752 -3.739 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.616 -4.825 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.934 -2.058 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.612 -0.861 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.122 -1.255 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.570 -5.185 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.079 -4.583 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.310 -3.480 0.880 1.00 0.00 H new ATOM 672 N VAL A 84 1.215 0.050 -3.506 1.00 0.00 N ATOM 673 CA VAL A 84 1.853 1.327 -3.773 1.00 0.00 C ATOM 674 C VAL A 84 1.579 2.283 -2.610 1.00 0.00 C ATOM 675 O VAL A 84 0.434 2.436 -2.185 1.00 0.00 O ATOM 676 CB VAL A 84 1.383 1.875 -5.122 1.00 0.00 C ATOM 677 CG1 VAL A 84 1.522 0.821 -6.222 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.055 2.389 -5.033 1.00 0.00 C ATOM 0 H VAL A 84 0.223 0.012 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 84 2.934 1.206 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 84 2.024 2.717 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.181 1.237 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.567 0.524 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.917 -0.050 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.365 2.773 -6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.715 1.574 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.111 3.187 -4.293 1.00 0.00 H new ATOM 679 N ILE A 85 2.647 2.900 -2.128 1.00 0.00 N ATOM 680 CA ILE A 85 2.536 3.836 -1.023 1.00 0.00 C ATOM 681 C ILE A 85 3.037 5.211 -1.472 1.00 0.00 C ATOM 682 O ILE A 85 3.712 5.326 -2.494 1.00 0.00 O ATOM 683 CB ILE A 85 3.255 3.294 0.214 1.00 0.00 C ATOM 684 CG1 ILE A 85 3.511 1.791 0.083 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.484 3.635 1.491 1.00 0.00 C ATOM 686 CD1 ILE A 85 2.215 1.039 -0.228 1.00 0.00 C ATOM 0 H ILE A 85 3.594 2.770 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 85 1.493 3.956 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 85 4.227 3.782 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.239 1.610 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.944 1.410 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.017 3.238 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.396 4.717 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.489 3.193 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.425 -0.027 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.498 1.202 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.798 1.405 -1.166 1.00 0.00 H new ATOM 687 N ALA A 86 2.686 6.218 -0.686 1.00 0.00 N ATOM 688 CA ALA A 86 3.093 7.580 -0.990 1.00 0.00 C ATOM 689 C ALA A 86 4.337 7.930 -0.173 1.00 0.00 C ATOM 690 O ALA A 86 4.268 8.056 1.049 1.00 0.00 O ATOM 691 CB ALA A 86 1.928 8.533 -0.716 1.00 0.00 C ATOM 0 H ALA A 86 2.125 6.119 0.160 1.00 0.00 H new ATOM 0 HA ALA A 86 3.353 7.677 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.232 9.555 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.079 8.259 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.642 8.465 0.333 1.00 0.00 H new ATOM 692 N ARG A 87 5.448 8.080 -0.881 1.00 0.00 N ATOM 693 CA ARG A 87 6.707 8.414 -0.237 1.00 0.00 C ATOM 694 C ARG A 87 6.461 9.323 0.969 1.00 0.00 C ATOM 695 O ARG A 87 6.571 8.886 2.114 1.00 0.00 O ATOM 696 CB ARG A 87 7.655 9.115 -1.211 1.00 0.00 C ATOM 697 CG ARG A 87 8.445 8.097 -2.036 1.00 0.00 C ATOM 698 CD ARG A 87 9.460 7.355 -1.165 1.00 0.00 C ATOM 699 NE ARG A 87 10.465 8.305 -0.637 1.00 0.00 N ATOM 700 CZ ARG A 87 11.306 8.027 0.368 1.00 0.00 C ATOM 0 H ARG A 87 5.502 7.976 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 87 7.168 7.483 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.085 9.763 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.344 9.753 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.760 7.382 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.962 8.606 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.949 6.858 -0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.954 6.578 -1.749 1.00 0.00 H new ATOM 0 HE ARG A 87 10.521 9.229 -1.065 1.00 0.00 H new ATOM 701 N GLN A 88 6.134 10.572 0.670 1.00 0.00 N ATOM 702 CA GLN A 88 5.873 11.547 1.716 1.00 0.00 C ATOM 703 C GLN A 88 5.859 12.960 1.132 1.00 0.00 C ATOM 704 O GLN A 88 4.959 13.748 1.422 1.00 0.00 O ATOM 705 CB GLN A 88 6.899 11.430 2.844 1.00 0.00 C ATOM 706 CG GLN A 88 7.153 12.790 3.497 1.00 0.00 C ATOM 707 CD GLN A 88 5.866 13.360 4.098 1.00 0.00 C ATOM 708 OE1 GLN A 88 4.795 12.784 3.995 1.00 0.00 O ATOM 709 NE2 GLN A 88 6.030 14.520 4.728 1.00 0.00 N ATOM 0 H GLN A 88 6.044 10.931 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 88 4.891 11.340 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.542 10.724 3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.834 11.031 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.908 12.688 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.551 13.484 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.955 14.947 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.231 14.982 5.162 1.00 0.00 H new ATOM 710 N PRO A 89 6.893 13.249 0.297 1.00 0.00 N ATOM 711 CA PRO A 89 7.009 14.554 -0.330 1.00 0.00 C ATOM 712 C PRO A 89 6.001 14.704 -1.472 1.00 0.00 C ATOM 713 O PRO A 89 6.009 15.708 -2.183 1.00 0.00 O ATOM 714 CB PRO A 89 8.452 14.640 -0.797 1.00 0.00 C ATOM 715 CG PRO A 89 8.966 13.208 -0.831 1.00 0.00 C ATOM 716 CD PRO A 89 7.977 12.341 -0.069 1.00 0.00 C ATOM 0 HA PRO A 89 6.777 15.371 0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.517 15.102 -1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.046 15.252 -0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.064 12.862 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.956 13.147 -0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.614 11.519 -0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.437 11.898 0.814 1.00 0.00 H new ATOM 717 N ALA A 90 5.158 13.691 -1.612 1.00 0.00 N ATOM 718 CA ALA A 90 4.146 13.698 -2.654 1.00 0.00 C ATOM 719 C ALA A 90 2.861 14.322 -2.109 1.00 0.00 C ATOM 720 O ALA A 90 1.786 14.136 -2.676 1.00 0.00 O ATOM 721 CB ALA A 90 3.931 12.273 -3.166 1.00 0.00 C ATOM 0 H ALA A 90 5.155 12.860 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 90 4.472 14.303 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.172 12.278 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.866 11.887 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.602 11.637 -2.344 1.00 0.00 H new ATOM 722 N LYS A 91 3.014 15.052 -1.013 1.00 0.00 N ATOM 723 CA LYS A 91 1.879 15.705 -0.384 1.00 0.00 C ATOM 724 C LYS A 91 1.384 16.837 -1.285 1.00 0.00 C ATOM 725 O LYS A 91 0.334 17.425 -1.030 1.00 0.00 O ATOM 726 CB LYS A 91 2.240 16.159 1.032 1.00 0.00 C ATOM 727 CG LYS A 91 3.524 16.990 1.032 1.00 0.00 C ATOM 728 CD LYS A 91 3.261 18.405 1.550 1.00 0.00 C ATOM 729 CE LYS A 91 4.574 19.124 1.869 1.00 0.00 C ATOM 730 NZ LYS A 91 4.378 20.591 1.857 1.00 0.00 N ATOM 0 H LYS A 91 3.907 15.205 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 91 1.052 15.004 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.422 16.747 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.366 15.288 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.275 16.505 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.930 17.038 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.704 18.972 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.640 18.359 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.940 18.808 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.334 18.847 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.278 21.063 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.049 20.890 0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.668 20.852 2.571 1.00 0.00 H new ATOM 731 N ASP A 92 2.164 17.111 -2.322 1.00 0.00 N ATOM 732 CA ASP A 92 1.817 18.162 -3.261 1.00 0.00 C ATOM 733 C ASP A 92 1.802 17.588 -4.680 1.00 0.00 C ATOM 734 O ASP A 92 2.105 18.292 -5.641 1.00 0.00 O ATOM 735 CB ASP A 92 2.844 19.297 -3.221 1.00 0.00 C ATOM 736 CG ASP A 92 2.249 20.702 -3.114 1.00 0.00 C ATOM 737 OD1 ASP A 92 1.580 20.959 -2.089 1.00 0.00 O ATOM 738 OD2 ASP A 92 2.478 21.489 -4.057 1.00 0.00 O ATOM 0 H ASP A 92 3.035 16.622 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 92 0.837 18.552 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.510 19.135 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.456 19.245 -4.121 1.00 0.00 H new ATOM 739 N MET A 93 1.447 16.314 -4.765 1.00 0.00 N ATOM 740 CA MET A 93 1.389 15.637 -6.048 1.00 0.00 C ATOM 741 C MET A 93 0.012 15.805 -6.695 1.00 0.00 C ATOM 742 O MET A 93 -0.808 16.591 -6.221 1.00 0.00 O ATOM 743 CB MET A 93 1.684 14.149 -5.855 1.00 0.00 C ATOM 744 CG MET A 93 2.945 13.736 -6.616 1.00 0.00 C ATOM 745 SD MET A 93 2.965 11.967 -6.852 1.00 0.00 S ATOM 746 CE MET A 93 1.852 11.469 -5.548 1.00 0.00 C ATOM 0 H MET A 93 1.197 15.733 -3.965 1.00 0.00 H new ATOM 0 HA MET A 93 2.136 16.082 -6.706 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.809 13.934 -4.794 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.836 13.559 -6.202 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.978 14.240 -7.582 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.831 14.047 -6.063 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.872 10.384 -5.447 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.164 11.926 -4.609 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.840 11.792 -5.790 1.00 0.00 H new ATOM 747 N THR A 94 -0.198 15.055 -7.766 1.00 0.00 N ATOM 748 CA THR A 94 -1.461 15.112 -8.482 1.00 0.00 C ATOM 749 C THR A 94 -1.696 13.810 -9.252 1.00 0.00 C ATOM 750 O THR A 94 -0.756 13.062 -9.516 1.00 0.00 O ATOM 751 CB THR A 94 -1.442 16.352 -9.378 1.00 0.00 C ATOM 752 OG1 THR A 94 -0.097 16.423 -9.844 1.00 0.00 O ATOM 753 CG2 THR A 94 -1.631 17.647 -8.587 1.00 0.00 C ATOM 0 H THR A 94 0.485 14.405 -8.155 1.00 0.00 H new ATOM 0 HA THR A 94 -2.302 15.204 -7.794 1.00 0.00 H new ATOM 0 HB THR A 94 -2.226 16.268 -10.131 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.004 17.199 -10.434 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.610 18.497 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.590 17.621 -8.070 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.828 17.748 -7.857 1.00 0.00 H new ATOM 754 N THR A 95 -2.956 13.580 -9.591 1.00 0.00 N ATOM 755 CA THR A 95 -3.326 12.382 -10.326 1.00 0.00 C ATOM 756 C THR A 95 -2.469 12.241 -11.585 1.00 0.00 C ATOM 757 O THR A 95 -2.393 11.163 -12.172 1.00 0.00 O ATOM 758 CB THR A 95 -4.827 12.450 -10.616 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.433 11.936 -9.433 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.256 11.472 -11.712 1.00 0.00 C ATOM 0 H THR A 95 -3.733 14.202 -9.370 1.00 0.00 H new ATOM 0 HA THR A 95 -3.134 11.484 -9.739 1.00 0.00 H new ATOM 0 HB THR A 95 -5.095 13.465 -10.911 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.863 12.134 -8.661 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.330 11.561 -11.879 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.725 11.704 -12.635 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.020 10.454 -11.404 1.00 0.00 H new ATOM 761 N LEU A 96 -1.845 13.347 -11.964 1.00 0.00 N ATOM 762 CA LEU A 96 -0.998 13.362 -13.143 1.00 0.00 C ATOM 763 C LEU A 96 0.374 12.785 -12.786 1.00 0.00 C ATOM 764 O LEU A 96 0.886 11.912 -13.485 1.00 0.00 O ATOM 765 CB LEU A 96 -0.936 14.768 -13.742 1.00 0.00 C ATOM 766 CG LEU A 96 -0.045 14.934 -14.976 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.430 15.018 -14.579 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.303 13.819 -15.992 1.00 0.00 C ATOM 0 H LEU A 96 -1.910 14.239 -11.474 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.420 12.728 -13.923 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.948 15.074 -14.006 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.586 15.455 -12.971 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.302 15.876 -15.460 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.041 15.136 -15.474 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.581 15.874 -13.921 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.719 14.105 -14.059 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.342 13.960 -16.859 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.090 12.853 -15.534 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.346 13.848 -16.308 1.00 0.00 H new ATOM 769 N GLN A 97 0.932 13.298 -11.698 1.00 0.00 N ATOM 770 CA GLN A 97 2.234 12.844 -11.239 1.00 0.00 C ATOM 771 C GLN A 97 2.136 11.420 -10.689 1.00 0.00 C ATOM 772 O GLN A 97 3.077 10.636 -10.814 1.00 0.00 O ATOM 773 CB GLN A 97 2.810 13.800 -10.192 1.00 0.00 C ATOM 774 CG GLN A 97 2.953 15.213 -10.760 1.00 0.00 C ATOM 775 CD GLN A 97 4.056 15.985 -10.034 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.231 15.666 -10.115 1.00 0.00 O ATOM 777 NE2 GLN A 97 3.614 17.017 -9.320 1.00 0.00 N ATOM 0 H GLN A 97 0.506 14.024 -11.121 1.00 0.00 H new ATOM 0 HA GLN A 97 2.916 12.837 -12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.161 13.820 -9.317 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.783 13.438 -9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.181 15.160 -11.824 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.007 15.746 -10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.617 17.230 -9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.272 17.595 -8.798 1.00 0.00 H new ATOM 778 N ILE A 98 0.991 11.128 -10.090 1.00 0.00 N ATOM 779 CA ILE A 98 0.758 9.812 -9.520 1.00 0.00 C ATOM 780 C ILE A 98 0.905 8.754 -10.614 1.00 0.00 C ATOM 781 O ILE A 98 1.659 7.794 -10.459 1.00 0.00 O ATOM 782 CB ILE A 98 -0.591 9.770 -8.801 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.577 10.662 -7.556 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.993 8.332 -8.472 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.993 11.110 -7.188 1.00 0.00 C ATOM 0 H ILE A 98 0.214 11.781 -9.987 1.00 0.00 H new ATOM 0 HA ILE A 98 1.505 9.589 -8.758 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.349 10.169 -9.474 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.134 10.120 -6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.049 11.535 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.956 8.331 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.071 7.756 -9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.239 7.882 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.956 11.742 -6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.423 11.673 -8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.610 10.235 -6.984 1.00 0.00 H new ATOM 786 N GLN A 99 0.173 8.964 -11.698 1.00 0.00 N ATOM 787 CA GLN A 99 0.212 8.039 -12.818 1.00 0.00 C ATOM 788 C GLN A 99 1.621 7.981 -13.410 1.00 0.00 C ATOM 789 O GLN A 99 2.086 6.915 -13.813 1.00 0.00 O ATOM 790 CB GLN A 99 -0.815 8.426 -13.885 1.00 0.00 C ATOM 791 CG GLN A 99 -2.242 8.201 -13.380 1.00 0.00 C ATOM 792 CD GLN A 99 -3.268 8.749 -14.375 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.398 8.279 -15.494 1.00 0.00 O ATOM 794 NE2 GLN A 99 -3.987 9.764 -13.906 1.00 0.00 N ATOM 0 H GLN A 99 -0.451 9.761 -11.825 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.049 7.046 -12.452 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.683 9.473 -14.159 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.647 7.837 -14.787 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.413 7.136 -13.225 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.371 8.688 -12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.827 10.108 -12.959 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.699 10.199 -14.493 1.00 0.00 H new ATOM 795 N ASN A 100 2.264 9.139 -13.443 1.00 0.00 N ATOM 796 CA ASN A 100 3.610 9.233 -13.978 1.00 0.00 C ATOM 797 C ASN A 100 4.559 8.403 -13.110 1.00 0.00 C ATOM 798 O ASN A 100 5.542 7.855 -13.606 1.00 0.00 O ATOM 799 CB ASN A 100 4.107 10.680 -13.969 1.00 0.00 C ATOM 800 CG ASN A 100 3.941 11.325 -15.347 1.00 0.00 C ATOM 801 OD1 ASN A 100 4.008 10.676 -16.377 1.00 0.00 O ATOM 802 ND2 ASN A 100 3.721 12.636 -15.308 1.00 0.00 N ATOM 0 H ASN A 100 1.876 10.021 -13.107 1.00 0.00 H new ATOM 0 HA ASN A 100 3.591 8.864 -15.003 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.553 11.254 -13.226 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.156 10.706 -13.675 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.597 13.158 -16.175 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.676 13.119 -14.411 1.00 0.00 H new ATOM 803 N SER A 101 4.230 8.336 -11.828 1.00 0.00 N ATOM 804 CA SER A 101 5.040 7.582 -10.886 1.00 0.00 C ATOM 805 C SER A 101 4.912 6.084 -11.168 1.00 0.00 C ATOM 806 O SER A 101 5.913 5.370 -11.217 1.00 0.00 O ATOM 807 CB SER A 101 4.634 7.887 -9.443 1.00 0.00 C ATOM 808 OG SER A 101 4.827 9.259 -9.113 1.00 0.00 O ATOM 0 H SER A 101 3.414 8.791 -11.420 1.00 0.00 H new ATOM 0 HA SER A 101 6.080 7.882 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.586 7.623 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.217 7.265 -8.763 1.00 0.00 H new ATOM 0 HG SER A 101 5.187 9.329 -8.204 1.00 0.00 H new ATOM 809 N LEU A 102 3.672 5.651 -11.348 1.00 0.00 N ATOM 810 CA LEU A 102 3.401 4.251 -11.624 1.00 0.00 C ATOM 811 C LEU A 102 4.236 3.802 -12.825 1.00 0.00 C ATOM 812 O LEU A 102 4.565 2.623 -12.950 1.00 0.00 O ATOM 813 CB LEU A 102 1.898 4.021 -11.800 1.00 0.00 C ATOM 814 CG LEU A 102 1.131 3.614 -10.540 1.00 0.00 C ATOM 815 CD1 LEU A 102 0.182 4.728 -10.094 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.399 2.286 -10.748 1.00 0.00 C ATOM 0 H LEU A 102 2.844 6.246 -11.308 1.00 0.00 H new ATOM 0 HA LEU A 102 3.698 3.631 -10.778 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.454 4.936 -12.192 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.755 3.248 -12.555 1.00 0.00 H new ATOM 0 HG LEU A 102 1.851 3.462 -9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.351 4.414 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.755 5.630 -9.879 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.535 4.935 -10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.138 2.020 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.309 2.386 -11.571 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.122 1.505 -10.984 1.00 0.00 H new ATOM 817 N GLU A 103 4.556 4.764 -13.677 1.00 0.00 N ATOM 818 CA GLU A 103 5.347 4.482 -14.864 1.00 0.00 C ATOM 819 C GLU A 103 6.797 4.191 -14.477 1.00 0.00 C ATOM 820 O GLU A 103 7.624 3.887 -15.336 1.00 0.00 O ATOM 821 CB GLU A 103 5.266 5.637 -15.863 1.00 0.00 C ATOM 822 CG GLU A 103 4.299 5.309 -17.003 1.00 0.00 C ATOM 823 CD GLU A 103 5.031 5.257 -18.346 1.00 0.00 C ATOM 824 OE1 GLU A 103 5.332 6.351 -18.870 1.00 0.00 O ATOM 825 OE2 GLU A 103 5.274 4.125 -18.816 1.00 0.00 O ATOM 0 H GLU A 103 4.282 5.741 -13.570 1.00 0.00 H new ATOM 0 HA GLU A 103 4.937 3.597 -15.350 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.938 6.542 -15.352 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.257 5.842 -16.269 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.816 4.351 -16.811 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.511 6.061 -17.043 1.00 0.00 H new ATOM 826 N HIS A 104 7.064 4.295 -13.182 1.00 0.00 N ATOM 827 CA HIS A 104 8.402 4.047 -12.672 1.00 0.00 C ATOM 828 C HIS A 104 8.321 3.151 -11.434 1.00 0.00 C ATOM 829 O HIS A 104 8.634 1.964 -11.501 1.00 0.00 O ATOM 830 CB HIS A 104 9.134 5.363 -12.405 1.00 0.00 C ATOM 831 CG HIS A 104 10.434 5.202 -11.655 1.00 0.00 C ATOM 832 ND1 HIS A 104 11.525 6.029 -11.857 1.00 0.00 N ATOM 833 CD2 HIS A 104 10.807 4.300 -10.700 1.00 0.00 C ATOM 834 CE1 HIS A 104 12.504 5.635 -11.056 1.00 0.00 C ATOM 835 NE2 HIS A 104 12.057 4.563 -10.341 1.00 0.00 N ATOM 0 H HIS A 104 6.377 4.547 -12.472 1.00 0.00 H new ATOM 0 HA HIS A 104 8.989 3.518 -13.423 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.334 5.855 -13.357 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.478 6.023 -11.837 1.00 0.00 H new ATOM 0 HD1 HIS A 104 11.568 6.810 -12.512 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.189 3.507 -10.304 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.484 6.084 -10.982 1.00 0.00 H new ATOM 836 N VAL A 105 7.899 3.756 -10.333 1.00 0.00 N ATOM 837 CA VAL A 105 7.773 3.028 -9.082 1.00 0.00 C ATOM 838 C VAL A 105 7.286 1.607 -9.371 1.00 0.00 C ATOM 839 O VAL A 105 7.933 0.635 -8.984 1.00 0.00 O ATOM 840 CB VAL A 105 6.856 3.790 -8.123 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.388 3.630 -8.524 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.081 3.344 -6.677 1.00 0.00 C ATOM 0 H VAL A 105 7.640 4.741 -10.282 1.00 0.00 H new ATOM 0 HA VAL A 105 8.742 2.946 -8.589 1.00 0.00 H new ATOM 0 HB VAL A 105 7.108 4.848 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.758 4.181 -7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.241 4.020 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.117 2.574 -8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.417 3.901 -6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.871 2.278 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.116 3.534 -6.395 1.00 0.00 H new ATOM 843 N LEU A 106 6.149 1.531 -10.047 1.00 0.00 N ATOM 844 CA LEU A 106 5.569 0.245 -10.392 1.00 0.00 C ATOM 845 C LEU A 106 6.431 -0.430 -11.461 1.00 0.00 C ATOM 846 O LEU A 106 6.640 -1.642 -11.421 1.00 0.00 O ATOM 847 CB LEU A 106 4.103 0.410 -10.799 1.00 0.00 C ATOM 848 CG LEU A 106 3.725 -0.132 -12.179 1.00 0.00 C ATOM 849 CD1 LEU A 106 4.215 -1.571 -12.356 1.00 0.00 C ATOM 850 CD2 LEU A 106 2.220 -0.005 -12.424 1.00 0.00 C ATOM 0 H LEU A 106 5.614 2.339 -10.365 1.00 0.00 H new ATOM 0 HA LEU A 106 5.563 -0.414 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.482 -0.086 -10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 106 3.855 1.471 -10.767 1.00 0.00 H new ATOM 0 HG LEU A 106 4.227 0.474 -12.933 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.933 -1.932 -13.345 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.300 -1.601 -12.254 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.761 -2.206 -11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.978 -0.397 -13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.679 -0.571 -11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.930 1.044 -12.369 1.00 0.00 H new ATOM 851 N LYS A 107 6.909 0.384 -12.390 1.00 0.00 N ATOM 852 CA LYS A 107 7.744 -0.119 -13.467 1.00 0.00 C ATOM 853 C LYS A 107 8.912 -0.910 -12.876 1.00 0.00 C ATOM 854 O LYS A 107 9.518 -1.735 -13.558 1.00 0.00 O ATOM 855 CB LYS A 107 8.179 1.025 -14.387 1.00 0.00 C ATOM 856 CG LYS A 107 9.686 1.270 -14.280 1.00 0.00 C ATOM 857 CD LYS A 107 10.148 2.293 -15.320 1.00 0.00 C ATOM 858 CE LYS A 107 11.376 1.786 -16.080 1.00 0.00 C ATOM 859 NZ LYS A 107 11.976 2.875 -16.882 1.00 0.00 N ATOM 0 H LYS A 107 6.734 1.388 -12.419 1.00 0.00 H new ATOM 0 HA LYS A 107 7.179 -0.807 -14.096 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.918 0.787 -15.418 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.639 1.934 -14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.930 1.627 -13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.222 0.332 -14.424 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.339 2.494 -16.022 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.384 3.236 -14.828 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.112 1.397 -15.376 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.092 0.960 -16.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.808 2.514 -17.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.277 3.227 -17.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.265 3.651 -16.253 1.00 0.00 H new ATOM 860 N ILE A 108 9.194 -0.631 -11.611 1.00 0.00 N ATOM 861 CA ILE A 108 10.278 -1.305 -10.919 1.00 0.00 C ATOM 862 C ILE A 108 9.732 -2.547 -10.213 1.00 0.00 C ATOM 863 O ILE A 108 10.410 -3.571 -10.136 1.00 0.00 O ATOM 864 CB ILE A 108 11.003 -0.335 -9.983 1.00 0.00 C ATOM 865 CG1 ILE A 108 11.505 0.891 -10.748 1.00 0.00 C ATOM 866 CG2 ILE A 108 12.130 -1.042 -9.228 1.00 0.00 C ATOM 867 CD1 ILE A 108 12.612 1.606 -9.971 1.00 0.00 C ATOM 0 H ILE A 108 8.689 0.054 -11.048 1.00 0.00 H new ATOM 0 HA ILE A 108 11.030 -1.646 -11.631 1.00 0.00 H new ATOM 0 HB ILE A 108 10.291 0.020 -9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.880 0.586 -11.725 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.677 1.578 -10.924 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.629 -0.331 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.715 -1.856 -8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.850 -1.443 -9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.951 2.474 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.227 1.931 -9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.448 0.924 -9.818 1.00 0.00 H new ATOM 868 N ALA A 109 8.511 -2.417 -9.716 1.00 0.00 N ATOM 869 CA ALA A 109 7.865 -3.517 -9.019 1.00 0.00 C ATOM 870 C ALA A 109 7.769 -4.724 -9.956 1.00 0.00 C ATOM 871 O ALA A 109 7.942 -5.863 -9.525 1.00 0.00 O ATOM 872 CB ALA A 109 6.496 -3.065 -8.509 1.00 0.00 C ATOM 0 H ALA A 109 7.952 -1.567 -9.782 1.00 0.00 H new ATOM 0 HA ALA A 109 8.452 -3.819 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.012 -3.890 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.622 -2.226 -7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.877 -2.757 -9.352 1.00 0.00 H new ATOM 873 N LYS A 110 7.495 -4.431 -11.218 1.00 0.00 N ATOM 874 CA LYS A 110 7.375 -5.478 -12.219 1.00 0.00 C ATOM 875 C LYS A 110 5.977 -6.096 -12.139 1.00 0.00 C ATOM 876 O LYS A 110 5.790 -7.263 -12.480 1.00 0.00 O ATOM 877 CB LYS A 110 8.506 -6.495 -12.069 1.00 0.00 C ATOM 878 CG LYS A 110 8.682 -7.313 -13.350 1.00 0.00 C ATOM 879 CD LYS A 110 8.682 -8.813 -13.048 1.00 0.00 C ATOM 880 CE LYS A 110 7.405 -9.477 -13.565 1.00 0.00 C ATOM 881 NZ LYS A 110 7.732 -10.676 -14.369 1.00 0.00 N ATOM 0 H LYS A 110 7.353 -3.485 -11.571 1.00 0.00 H new ATOM 0 HA LYS A 110 7.483 -5.062 -13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.436 -5.978 -11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.292 -7.162 -11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.878 -7.079 -14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.617 -7.036 -13.837 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.552 -9.280 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.769 -8.971 -11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.769 -9.757 -12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.840 -8.769 -14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.853 -11.114 -14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.321 -10.400 -15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.252 -11.358 -13.780 1.00 0.00 H new ATOM 882 N VAL A 111 5.032 -5.286 -11.686 1.00 0.00 N ATOM 883 CA VAL A 111 3.657 -5.738 -11.556 1.00 0.00 C ATOM 884 C VAL A 111 2.899 -5.428 -12.848 1.00 0.00 C ATOM 885 O VAL A 111 1.676 -5.293 -12.838 1.00 0.00 O ATOM 886 CB VAL A 111 3.013 -5.109 -10.319 1.00 0.00 C ATOM 887 CG1 VAL A 111 3.899 -5.295 -9.086 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.705 -3.628 -10.555 1.00 0.00 C ATOM 0 H VAL A 111 5.191 -4.319 -11.404 1.00 0.00 H new ATOM 0 HA VAL A 111 3.622 -6.818 -11.409 1.00 0.00 H new ATOM 0 HB VAL A 111 2.069 -5.622 -10.134 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.418 -4.839 -8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.046 -6.359 -8.901 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.865 -4.820 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.248 -3.204 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.629 -3.095 -10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.018 -3.529 -11.395 1.00 0.00 H new ATOM 889 N PHE A 112 3.656 -5.323 -13.931 1.00 0.00 N ATOM 890 CA PHE A 112 3.071 -5.031 -15.227 1.00 0.00 C ATOM 891 C PHE A 112 3.707 -5.889 -16.323 1.00 0.00 C ATOM 892 O PHE A 112 4.905 -5.780 -16.585 1.00 0.00 O ATOM 893 CB PHE A 112 3.352 -3.557 -15.525 1.00 0.00 C ATOM 894 CG PHE A 112 4.839 -3.192 -15.511 1.00 0.00 C ATOM 895 CD1 PHE A 112 5.555 -3.303 -14.361 1.00 0.00 C ATOM 896 CD2 PHE A 112 5.442 -2.757 -16.650 1.00 0.00 C ATOM 897 CE1 PHE A 112 6.935 -2.965 -14.349 1.00 0.00 C ATOM 898 CE2 PHE A 112 6.821 -2.419 -16.637 1.00 0.00 C ATOM 899 CZ PHE A 112 7.538 -2.530 -15.487 1.00 0.00 C ATOM 0 H PHE A 112 4.670 -5.435 -13.936 1.00 0.00 H new ATOM 0 HA PHE A 112 2.003 -5.246 -15.208 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.936 -3.309 -16.502 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.831 -2.943 -14.791 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.075 -3.648 -13.457 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.872 -2.669 -17.563 1.00 0.00 H new ATOM 0 HE1 PHE A 112 7.505 -3.054 -13.436 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.301 -2.074 -17.541 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.587 -2.273 -15.478 1.00 0.00 H new ATOM 900 N ASN A 113 2.879 -6.725 -16.932 1.00 0.00 N ATOM 901 CA ASN A 113 3.346 -7.602 -17.991 1.00 0.00 C ATOM 902 C ASN A 113 4.331 -6.840 -18.881 1.00 0.00 C ATOM 903 O ASN A 113 5.394 -7.357 -19.221 1.00 0.00 O ATOM 904 CB ASN A 113 2.185 -8.074 -18.868 1.00 0.00 C ATOM 905 CG ASN A 113 1.327 -9.105 -18.133 1.00 0.00 C ATOM 906 OD1 ASN A 113 1.810 -10.102 -17.622 1.00 0.00 O ATOM 907 ND2 ASN A 113 0.030 -8.811 -18.107 1.00 0.00 N ATOM 0 H ASN A 113 1.887 -6.813 -16.712 1.00 0.00 H new ATOM 0 HA ASN A 113 3.822 -8.466 -17.527 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.570 -7.221 -19.153 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.574 -8.509 -19.789 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.626 -9.437 -17.639 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.309 -7.959 -18.555 1.00 0.00 H new