USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 500 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 94 LYS NZ :NH3+ -135:sc= -7.98! (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= -8.15! C(o=-16!,f=-28!) USER MOD Single : A 81 SER OG : rot 41:sc= 0.1 USER MOD Single : A 86 LYS NZ :NH3+ -125:sc= -1.52 (180deg=-3.59!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -11.9! K(o=-12!,f=-0.33) USER MOD Single : A 101 SER OG : rot -163:sc= -0.413 USER MOD Single : A 109 MET CE :methyl -159:sc= -0.114 (180deg=-1.19) USER MOD Single : A 110 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 151:sc= -0.94 (180deg=-4.65!) USER MOD Single : A 135 GLN : amide:sc= -0.0114 K(o=-0.011,f=-3.7!) USER MOD Single : A 137 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5.9!) USER MOD Single : A 138 TYR OH : rot -2:sc= -1.16 USER MOD Single : A 143 LYS NZ :NH3+ -166:sc= -0.0108 (180deg=-0.224) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -17.789 -5.132 -2.142 1.00 0.00 N ATOM 16 CA SER A 81 -16.398 -5.367 -2.514 1.00 0.00 C ATOM 17 C SER A 81 -15.567 -4.123 -2.233 1.00 0.00 C ATOM 18 O SER A 81 -14.478 -4.204 -1.666 1.00 0.00 O ATOM 19 CB SER A 81 -16.305 -5.712 -3.999 1.00 0.00 C ATOM 20 OG SER A 81 -17.075 -6.877 -4.263 1.00 0.00 O ATOM 0 HA SER A 81 -16.014 -6.200 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.668 -4.879 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.265 -5.879 -4.280 1.00 0.00 H new ATOM 0 HG SER A 81 -17.914 -6.836 -3.758 1.00 0.00 H new ATOM 26 N GLU A 82 -16.082 -2.971 -2.643 1.00 0.00 N ATOM 27 CA GLU A 82 -15.372 -1.716 -2.439 1.00 0.00 C ATOM 28 C GLU A 82 -15.072 -1.512 -0.953 1.00 0.00 C ATOM 29 O GLU A 82 -13.984 -1.067 -0.586 1.00 0.00 O ATOM 30 CB GLU A 82 -16.229 -0.553 -2.982 1.00 0.00 C ATOM 31 CG GLU A 82 -15.345 0.508 -3.651 1.00 0.00 C ATOM 32 CD GLU A 82 -14.283 1.000 -2.675 1.00 0.00 C ATOM 33 OE1 GLU A 82 -13.345 0.261 -2.430 1.00 0.00 O ATOM 34 OE2 GLU A 82 -14.424 2.109 -2.188 1.00 0.00 O ATOM 0 H GLU A 82 -16.982 -2.880 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.424 -1.744 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.954 -0.934 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.795 -0.101 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.869 0.089 -4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.958 1.345 -3.985 1.00 0.00 H new ATOM 41 N GLU A 83 -16.038 -1.843 -0.104 1.00 0.00 N ATOM 42 CA GLU A 83 -15.855 -1.692 1.333 1.00 0.00 C ATOM 43 C GLU A 83 -14.724 -2.599 1.809 1.00 0.00 C ATOM 44 O GLU A 83 -13.914 -2.214 2.654 1.00 0.00 O ATOM 45 CB GLU A 83 -17.152 -2.060 2.061 1.00 0.00 C ATOM 46 CG GLU A 83 -17.063 -1.638 3.528 1.00 0.00 C ATOM 47 CD GLU A 83 -17.148 -0.120 3.636 1.00 0.00 C ATOM 48 OE1 GLU A 83 -17.389 0.513 2.621 1.00 0.00 O ATOM 49 OE2 GLU A 83 -16.976 0.388 4.731 1.00 0.00 O ATOM 0 H GLU A 83 -16.947 -2.214 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.600 -0.655 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.000 -1.569 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.326 -3.134 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.871 -2.098 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.127 -1.990 3.961 1.00 0.00 H new ATOM 56 N GLU A 84 -14.665 -3.800 1.242 1.00 0.00 N ATOM 57 CA GLU A 84 -13.628 -4.755 1.592 1.00 0.00 C ATOM 58 C GLU A 84 -12.252 -4.226 1.184 1.00 0.00 C ATOM 59 O GLU A 84 -11.276 -4.373 1.919 1.00 0.00 O ATOM 60 CB GLU A 84 -13.935 -6.101 0.907 1.00 0.00 C ATOM 61 CG GLU A 84 -12.662 -6.932 0.767 1.00 0.00 C ATOM 62 CD GLU A 84 -13.008 -8.384 0.460 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.163 -8.650 0.173 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.111 -9.211 0.512 1.00 0.00 O ATOM 0 H GLU A 84 -15.325 -4.132 0.538 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.613 -4.902 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.674 -6.652 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.371 -5.924 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.039 -6.524 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.081 -6.877 1.687 1.00 0.00 H new ATOM 71 N LEU A 85 -12.183 -3.612 0.016 1.00 0.00 N ATOM 72 CA LEU A 85 -10.920 -3.065 -0.469 1.00 0.00 C ATOM 73 C LEU A 85 -10.404 -2.005 0.496 1.00 0.00 C ATOM 74 O LEU A 85 -9.218 -1.968 0.825 1.00 0.00 O ATOM 75 CB LEU A 85 -11.130 -2.444 -1.852 1.00 0.00 C ATOM 76 CG LEU A 85 -9.849 -1.775 -2.345 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.679 -2.770 -2.326 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.076 -1.280 -3.775 1.00 0.00 C ATOM 0 H LEU A 85 -12.976 -3.478 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.186 -3.868 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.439 -3.214 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.935 -1.711 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.602 -0.940 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.775 -2.275 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.522 -3.127 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.909 -3.615 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.169 -0.799 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.324 -2.125 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.897 -0.563 -3.786 1.00 0.00 H new ATOM 90 N LYS A 86 -11.311 -1.153 0.944 1.00 0.00 N ATOM 91 CA LYS A 86 -10.964 -0.090 1.879 1.00 0.00 C ATOM 92 C LYS A 86 -10.475 -0.681 3.197 1.00 0.00 C ATOM 93 O LYS A 86 -9.581 -0.129 3.838 1.00 0.00 O ATOM 94 CB LYS A 86 -12.175 0.808 2.099 1.00 0.00 C ATOM 95 CG LYS A 86 -12.456 1.566 0.802 1.00 0.00 C ATOM 96 CD LYS A 86 -13.777 2.329 0.919 1.00 0.00 C ATOM 97 CE LYS A 86 -13.707 3.328 2.082 1.00 0.00 C ATOM 98 NZ LYS A 86 -14.085 2.635 3.346 1.00 0.00 N ATOM 0 H LYS A 86 -12.295 -1.175 0.676 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.155 0.509 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.042 0.212 2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.986 1.507 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.642 2.261 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.502 0.868 -0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.985 2.857 -0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.597 1.629 1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.700 3.738 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.379 4.167 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.865 3.148 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.388 1.663 3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.266 2.609 3.986 1.00 0.00 H new ATOM 112 N GLU A 87 -11.027 -1.833 3.577 1.00 0.00 N ATOM 113 CA GLU A 87 -10.571 -2.491 4.794 1.00 0.00 C ATOM 114 C GLU A 87 -9.122 -2.918 4.592 1.00 0.00 C ATOM 115 O GLU A 87 -8.278 -2.747 5.471 1.00 0.00 O ATOM 116 CB GLU A 87 -11.438 -3.705 5.121 1.00 0.00 C ATOM 117 CG GLU A 87 -12.818 -3.235 5.582 1.00 0.00 C ATOM 118 CD GLU A 87 -12.716 -2.533 6.933 1.00 0.00 C ATOM 119 OE1 GLU A 87 -11.746 -2.775 7.633 1.00 0.00 O ATOM 120 OE2 GLU A 87 -13.609 -1.764 7.247 1.00 0.00 O ATOM 0 H GLU A 87 -11.770 -2.317 3.073 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.649 -1.798 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.534 -4.344 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.966 -4.303 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.244 -2.556 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.493 -4.087 5.658 1.00 0.00 H new ATOM 127 N ALA A 88 -8.845 -3.451 3.403 1.00 0.00 N ATOM 128 CA ALA A 88 -7.495 -3.878 3.054 1.00 0.00 C ATOM 129 C ALA A 88 -6.556 -2.676 3.103 1.00 0.00 C ATOM 130 O ALA A 88 -5.454 -2.749 3.646 1.00 0.00 O ATOM 131 CB ALA A 88 -7.487 -4.482 1.649 1.00 0.00 C ATOM 0 H ALA A 88 -9.537 -3.596 2.668 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.159 -4.632 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.475 -4.799 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.155 -5.343 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.825 -3.736 0.930 1.00 0.00 H new ATOM 137 N PHE A 89 -7.012 -1.567 2.539 1.00 0.00 N ATOM 138 CA PHE A 89 -6.230 -0.341 2.528 1.00 0.00 C ATOM 139 C PHE A 89 -5.927 0.101 3.957 1.00 0.00 C ATOM 140 O PHE A 89 -4.792 0.459 4.283 1.00 0.00 O ATOM 141 CB PHE A 89 -7.012 0.742 1.794 1.00 0.00 C ATOM 142 CG PHE A 89 -6.315 2.068 1.959 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.188 2.375 1.187 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.798 2.984 2.896 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.544 3.603 1.355 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.153 4.210 3.068 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.025 4.520 2.296 1.00 0.00 C ATOM 0 H PHE A 89 -7.921 -1.492 2.083 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.284 -0.515 2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.094 0.492 0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.027 0.802 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.818 1.664 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.670 2.744 3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.676 3.844 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.523 4.918 3.795 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.526 5.469 2.428 1.00 0.00 H new ATOM 157 N ARG A 90 -6.946 0.069 4.803 1.00 0.00 N ATOM 158 CA ARG A 90 -6.796 0.462 6.196 1.00 0.00 C ATOM 159 C ARG A 90 -5.823 -0.475 6.912 1.00 0.00 C ATOM 160 O ARG A 90 -5.059 -0.049 7.779 1.00 0.00 O ATOM 161 CB ARG A 90 -8.161 0.431 6.881 1.00 0.00 C ATOM 162 CG ARG A 90 -8.087 1.181 8.210 1.00 0.00 C ATOM 163 CD ARG A 90 -9.472 1.183 8.858 1.00 0.00 C ATOM 164 NE ARG A 90 -9.854 -0.176 9.223 1.00 0.00 N ATOM 165 CZ ARG A 90 -11.058 -0.444 9.719 1.00 0.00 C ATOM 166 NH1 ARG A 90 -12.125 -0.227 8.999 1.00 0.00 N ATOM 167 NH2 ARG A 90 -11.172 -0.926 10.926 1.00 0.00 N ATOM 0 H ARG A 90 -7.888 -0.226 4.548 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.393 1.474 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.913 0.887 6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.470 -0.600 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.363 0.705 8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.746 2.203 8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.467 1.818 9.744 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.205 1.603 8.169 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.185 -0.935 9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.035 0.149 8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.048 -0.433 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.338 -1.097 11.488 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.095 -1.132 11.308 1.00 0.00 H new ATOM 181 N VAL A 91 -5.840 -1.747 6.518 1.00 0.00 N ATOM 182 CA VAL A 91 -4.934 -2.736 7.099 1.00 0.00 C ATOM 183 C VAL A 91 -3.493 -2.404 6.713 1.00 0.00 C ATOM 184 O VAL A 91 -2.585 -2.446 7.545 1.00 0.00 O ATOM 185 CB VAL A 91 -5.293 -4.140 6.576 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.163 -5.132 6.891 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.597 -4.623 7.229 1.00 0.00 C ATOM 0 H VAL A 91 -6.467 -2.116 5.803 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.033 -2.717 8.184 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.426 -4.086 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.431 -6.120 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.242 -4.799 6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.013 -5.182 7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.845 -5.616 6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.469 -4.664 8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.404 -3.932 6.985 1.00 0.00 H new ATOM 197 N PHE A 92 -3.304 -2.097 5.436 1.00 0.00 N ATOM 198 CA PHE A 92 -1.983 -1.781 4.902 1.00 0.00 C ATOM 199 C PHE A 92 -1.383 -0.532 5.543 1.00 0.00 C ATOM 200 O PHE A 92 -0.184 -0.477 5.817 1.00 0.00 O ATOM 201 CB PHE A 92 -2.083 -1.540 3.387 1.00 0.00 C ATOM 202 CG PHE A 92 -2.212 -2.849 2.628 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.201 -3.814 2.704 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.336 -3.084 1.826 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.322 -5.011 1.987 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.458 -4.272 1.111 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.452 -5.241 1.190 1.00 0.00 C ATOM 0 H PHE A 92 -4.054 -2.060 4.746 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.337 -2.630 5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.944 -0.907 3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.199 -1.003 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.328 -3.636 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.114 -2.338 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.544 -5.758 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.329 -4.446 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.546 -6.165 0.638 1.00 0.00 H new ATOM 217 N ASP A 93 -2.215 0.476 5.745 1.00 0.00 N ATOM 218 CA ASP A 93 -1.750 1.741 6.310 1.00 0.00 C ATOM 219 C ASP A 93 -1.764 1.726 7.836 1.00 0.00 C ATOM 220 O ASP A 93 -2.709 2.203 8.463 1.00 0.00 O ATOM 221 CB ASP A 93 -2.637 2.881 5.802 1.00 0.00 C ATOM 222 CG ASP A 93 -2.090 4.227 6.269 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.917 4.288 6.601 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.852 5.180 6.277 1.00 0.00 O ATOM 0 H ASP A 93 -3.211 0.448 5.529 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.719 1.890 5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.683 2.858 4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.656 2.748 6.167 1.00 0.00 H new ATOM 229 N LYS A 94 -0.699 1.187 8.426 1.00 0.00 N ATOM 230 CA LYS A 94 -0.602 1.138 9.880 1.00 0.00 C ATOM 231 C LYS A 94 -0.617 2.553 10.442 1.00 0.00 C ATOM 232 O LYS A 94 -1.260 2.826 11.451 1.00 0.00 O ATOM 233 CB LYS A 94 0.683 0.440 10.325 1.00 0.00 C ATOM 234 CG LYS A 94 0.588 -1.062 10.053 1.00 0.00 C ATOM 235 CD LYS A 94 1.849 -1.740 10.588 1.00 0.00 C ATOM 236 CE LYS A 94 1.718 -3.255 10.439 1.00 0.00 C ATOM 237 NZ LYS A 94 2.921 -3.914 11.014 1.00 0.00 N ATOM 0 H LYS A 94 0.095 0.785 7.928 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.455 0.573 10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.537 0.860 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.852 0.615 11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.297 -1.478 10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.485 -1.246 8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.724 -1.385 10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.998 -1.479 11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.820 -3.605 10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.612 -3.520 9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.255 -4.655 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.672 -3.208 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.678 -4.341 11.931 1.00 0.00 H new ATOM 251 N ASP A 95 0.120 3.448 9.790 1.00 0.00 N ATOM 252 CA ASP A 95 0.207 4.848 10.224 1.00 0.00 C ATOM 253 C ASP A 95 -1.157 5.516 10.130 1.00 0.00 C ATOM 254 O ASP A 95 -1.404 6.523 10.792 1.00 0.00 O ATOM 255 CB ASP A 95 1.177 5.603 9.335 1.00 0.00 C ATOM 256 CG ASP A 95 2.576 5.026 9.464 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.890 4.512 10.527 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.312 5.099 8.494 1.00 0.00 O ATOM 0 H ASP A 95 0.668 3.233 8.957 1.00 0.00 H new ATOM 0 HA ASP A 95 0.553 4.866 11.257 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.848 5.546 8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.186 6.658 9.609 1.00 0.00 H new ATOM 263 N GLN A 96 -2.047 4.919 9.336 1.00 0.00 N ATOM 264 CA GLN A 96 -3.416 5.430 9.198 1.00 0.00 C ATOM 265 C GLN A 96 -3.416 6.928 8.829 1.00 0.00 C ATOM 266 O GLN A 96 -4.247 7.681 9.318 1.00 0.00 O ATOM 267 CB GLN A 96 -4.121 5.285 10.551 1.00 0.00 C ATOM 268 CG GLN A 96 -4.331 3.849 10.996 1.00 0.00 C ATOM 269 CD GLN A 96 -4.796 4.009 12.411 1.00 0.00 C ATOM 270 OE1 GLN A 96 -5.937 4.192 12.737 1.00 0.00 O ATOM 271 NE2 GLN A 96 -3.844 3.952 13.255 1.00 0.00 N ATOM 0 H GLN A 96 -1.849 4.086 8.781 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.920 4.867 8.412 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.537 5.806 11.309 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.090 5.782 10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.072 3.339 10.381 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.411 3.267 10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.888 3.795 12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.037 4.064 14.250 1.00 0.00 H new ATOM 280 N ASN A 97 -2.511 7.369 7.965 1.00 0.00 N ATOM 281 CA ASN A 97 -2.492 8.774 7.573 1.00 0.00 C ATOM 282 C ASN A 97 -3.134 8.916 6.205 1.00 0.00 C ATOM 283 O ASN A 97 -3.144 9.993 5.611 1.00 0.00 O ATOM 284 CB ASN A 97 -1.054 9.241 7.564 1.00 0.00 C ATOM 285 CG ASN A 97 -0.270 8.409 6.564 1.00 0.00 C ATOM 286 OD1 ASN A 97 0.893 8.695 6.297 1.00 0.00 O ATOM 287 ND2 ASN A 97 -0.847 7.378 6.000 1.00 0.00 N ATOM 0 H ASN A 97 -1.794 6.789 7.529 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.057 9.389 8.273 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.003 10.297 7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.620 9.142 8.559 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.329 6.806 5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.814 7.147 6.228 1.00 0.00 H new ATOM 294 N GLY A 98 -3.694 7.809 5.723 1.00 0.00 N ATOM 295 CA GLY A 98 -4.350 7.796 4.428 1.00 0.00 C ATOM 296 C GLY A 98 -3.321 7.543 3.341 1.00 0.00 C ATOM 297 O GLY A 98 -3.480 7.977 2.201 1.00 0.00 O ATOM 0 H GLY A 98 -3.704 6.914 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.117 7.022 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.852 8.747 4.253 1.00 0.00 H new ATOM 301 N PHE A 99 -2.262 6.824 3.710 1.00 0.00 N ATOM 302 CA PHE A 99 -1.195 6.495 2.770 1.00 0.00 C ATOM 303 C PHE A 99 -0.527 5.187 3.157 1.00 0.00 C ATOM 304 O PHE A 99 -0.457 4.843 4.335 1.00 0.00 O ATOM 305 CB PHE A 99 -0.133 7.591 2.778 1.00 0.00 C ATOM 306 CG PHE A 99 -0.702 8.864 2.212 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.401 9.740 3.042 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.531 9.167 0.858 1.00 0.00 C ATOM 309 CE1 PHE A 99 -1.934 10.924 2.525 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.063 10.351 0.337 1.00 0.00 C ATOM 311 CZ PHE A 99 -1.765 11.231 1.169 1.00 0.00 C ATOM 0 H PHE A 99 -2.121 6.459 4.652 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.639 6.405 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.218 7.761 3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.730 7.277 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.531 9.503 4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.011 8.488 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.475 11.601 3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.932 10.587 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.176 12.145 0.766 1.00 0.00 H new ATOM 321 N ILE A 100 0.014 4.483 2.164 1.00 0.00 N ATOM 322 CA ILE A 100 0.735 3.239 2.421 1.00 0.00 C ATOM 323 C ILE A 100 2.192 3.450 2.052 1.00 0.00 C ATOM 324 O ILE A 100 2.509 3.896 0.950 1.00 0.00 O ATOM 325 CB ILE A 100 0.150 2.081 1.616 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.323 1.913 1.986 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.910 0.797 1.955 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.988 0.924 1.027 1.00 0.00 C ATOM 0 H ILE A 100 -0.033 4.751 1.181 1.00 0.00 H new ATOM 0 HA ILE A 100 0.642 2.980 3.476 1.00 0.00 H new ATOM 0 HB ILE A 100 0.241 2.286 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.411 1.555 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.831 2.876 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.496 -0.033 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.964 0.921 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.813 0.587 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.038 0.808 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.913 1.300 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.487 -0.042 1.095 1.00 0.00 H new ATOM 340 N SER A 101 3.068 3.138 2.988 1.00 0.00 N ATOM 341 CA SER A 101 4.504 3.303 2.778 1.00 0.00 C ATOM 342 C SER A 101 5.168 1.946 2.620 1.00 0.00 C ATOM 343 O SER A 101 4.683 0.945 3.145 1.00 0.00 O ATOM 344 CB SER A 101 5.115 4.030 3.978 1.00 0.00 C ATOM 345 OG SER A 101 5.396 3.088 5.005 1.00 0.00 O ATOM 0 H SER A 101 2.815 2.768 3.904 1.00 0.00 H new ATOM 0 HA SER A 101 4.665 3.887 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.029 4.544 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.427 4.791 4.345 1.00 0.00 H new ATOM 0 HG SER A 101 5.528 3.559 5.854 1.00 0.00 H new ATOM 351 N ALA A 102 6.300 1.913 1.918 1.00 0.00 N ATOM 352 CA ALA A 102 7.020 0.661 1.740 1.00 0.00 C ATOM 353 C ALA A 102 7.251 0.062 3.119 1.00 0.00 C ATOM 354 O ALA A 102 7.123 -1.143 3.329 1.00 0.00 O ATOM 355 CB ALA A 102 8.364 0.920 1.044 1.00 0.00 C ATOM 0 H ALA A 102 6.729 2.724 1.472 1.00 0.00 H new ATOM 0 HA ALA A 102 6.445 -0.025 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.895 -0.023 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.187 1.373 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.965 1.595 1.653 1.00 0.00 H new ATOM 361 N ALA A 103 7.577 0.943 4.056 1.00 0.00 N ATOM 362 CA ALA A 103 7.814 0.539 5.432 1.00 0.00 C ATOM 363 C ALA A 103 6.609 -0.231 5.956 1.00 0.00 C ATOM 364 O ALA A 103 6.743 -1.335 6.486 1.00 0.00 O ATOM 365 CB ALA A 103 8.038 1.786 6.292 1.00 0.00 C ATOM 0 H ALA A 103 7.683 1.943 3.886 1.00 0.00 H new ATOM 0 HA ALA A 103 8.695 -0.101 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.216 1.488 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.902 2.335 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.155 2.424 6.245 1.00 0.00 H new ATOM 371 N GLU A 104 5.431 0.359 5.790 1.00 0.00 N ATOM 372 CA GLU A 104 4.206 -0.271 6.227 1.00 0.00 C ATOM 373 C GLU A 104 3.954 -1.525 5.407 1.00 0.00 C ATOM 374 O GLU A 104 3.583 -2.566 5.938 1.00 0.00 O ATOM 375 CB GLU A 104 3.053 0.711 6.043 1.00 0.00 C ATOM 376 CG GLU A 104 3.203 1.875 7.025 1.00 0.00 C ATOM 377 CD GLU A 104 2.108 2.903 6.772 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.875 3.217 5.616 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.520 3.362 7.734 1.00 0.00 O ATOM 0 H GLU A 104 5.306 1.273 5.355 1.00 0.00 H new ATOM 0 HA GLU A 104 4.287 -0.549 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.042 1.086 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.102 0.205 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.142 1.509 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.183 2.337 6.909 1.00 0.00 H new ATOM 386 N LEU A 105 4.171 -1.416 4.103 1.00 0.00 N ATOM 387 CA LEU A 105 3.976 -2.547 3.207 1.00 0.00 C ATOM 388 C LEU A 105 4.950 -3.675 3.556 1.00 0.00 C ATOM 389 O LEU A 105 4.583 -4.850 3.560 1.00 0.00 O ATOM 390 CB LEU A 105 4.181 -2.094 1.754 1.00 0.00 C ATOM 391 CG LEU A 105 3.450 -3.049 0.787 1.00 0.00 C ATOM 392 CD1 LEU A 105 1.965 -2.667 0.674 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.085 -2.961 -0.601 1.00 0.00 C ATOM 0 H LEU A 105 4.481 -0.559 3.644 1.00 0.00 H new ATOM 0 HA LEU A 105 2.960 -2.924 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.806 -1.079 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.245 -2.072 1.519 1.00 0.00 H new ATOM 0 HG LEU A 105 3.534 -4.064 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.465 -3.351 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.497 -2.731 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.879 -1.648 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.567 -3.636 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.006 -1.940 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.136 -3.244 -0.539 1.00 0.00 H new ATOM 405 N ARG A 106 6.190 -3.305 3.864 1.00 0.00 N ATOM 406 CA ARG A 106 7.197 -4.281 4.228 1.00 0.00 C ATOM 407 C ARG A 106 6.783 -5.007 5.504 1.00 0.00 C ATOM 408 O ARG A 106 6.912 -6.226 5.610 1.00 0.00 O ATOM 409 CB ARG A 106 8.532 -3.574 4.446 1.00 0.00 C ATOM 410 CG ARG A 106 9.607 -4.610 4.746 1.00 0.00 C ATOM 411 CD ARG A 106 10.956 -3.913 4.886 1.00 0.00 C ATOM 412 NE ARG A 106 10.965 -3.039 6.054 1.00 0.00 N ATOM 413 CZ ARG A 106 12.025 -2.289 6.344 1.00 0.00 C ATOM 414 NH1 ARG A 106 12.621 -1.604 5.405 1.00 0.00 N ATOM 415 NH2 ARG A 106 12.476 -2.240 7.568 1.00 0.00 N ATOM 0 H ARG A 106 6.515 -2.338 3.867 1.00 0.00 H new ATOM 0 HA ARG A 106 7.298 -5.010 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.801 -3.000 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.452 -2.867 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.365 -5.146 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.648 -5.350 3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.748 -4.657 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.165 -3.331 3.988 1.00 0.00 H new ATOM 0 HE ARG A 106 10.144 -3.002 6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.274 -1.643 4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.433 -1.030 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.016 -2.777 8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.289 -1.665 7.789 1.00 0.00 H new ATOM 429 N HIS A 107 6.287 -4.239 6.467 1.00 0.00 N ATOM 430 CA HIS A 107 5.854 -4.799 7.741 1.00 0.00 C ATOM 431 C HIS A 107 4.616 -5.682 7.563 1.00 0.00 C ATOM 432 O HIS A 107 4.527 -6.762 8.146 1.00 0.00 O ATOM 433 CB HIS A 107 5.541 -3.664 8.717 1.00 0.00 C ATOM 434 CG HIS A 107 5.409 -4.219 10.106 1.00 0.00 C ATOM 435 ND1 HIS A 107 4.857 -5.464 10.355 1.00 0.00 N ATOM 436 CD2 HIS A 107 5.755 -3.708 11.333 1.00 0.00 C ATOM 437 CE1 HIS A 107 4.885 -5.661 11.686 1.00 0.00 C ATOM 438 NE2 HIS A 107 5.422 -4.621 12.330 1.00 0.00 N ATOM 0 H HIS A 107 6.175 -3.228 6.390 1.00 0.00 H new ATOM 0 HA HIS A 107 6.660 -5.417 8.137 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.333 -2.916 8.687 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.618 -3.163 8.425 1.00 0.00 H new ATOM 0 HD1 HIS A 107 4.495 -6.114 9.657 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.215 -2.745 11.499 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.518 -6.552 12.174 1.00 0.00 H new ATOM 446 N VAL A 108 3.664 -5.212 6.758 1.00 0.00 N ATOM 447 CA VAL A 108 2.433 -5.964 6.514 1.00 0.00 C ATOM 448 C VAL A 108 2.757 -7.295 5.834 1.00 0.00 C ATOM 449 O VAL A 108 2.236 -8.341 6.218 1.00 0.00 O ATOM 450 CB VAL A 108 1.480 -5.122 5.648 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.232 -5.939 5.283 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.058 -3.857 6.427 1.00 0.00 C ATOM 0 H VAL A 108 3.720 -4.320 6.266 1.00 0.00 H new ATOM 0 HA VAL A 108 1.943 -6.180 7.463 1.00 0.00 H new ATOM 0 HB VAL A 108 1.995 -4.835 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.434 -5.332 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.529 -6.827 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.286 -6.239 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.383 -3.260 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.551 -4.148 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.942 -3.268 6.671 1.00 0.00 H new ATOM 462 N MET A 109 3.640 -7.249 4.843 1.00 0.00 N ATOM 463 CA MET A 109 4.058 -8.452 4.134 1.00 0.00 C ATOM 464 C MET A 109 4.830 -9.368 5.087 1.00 0.00 C ATOM 465 O MET A 109 4.750 -10.592 4.994 1.00 0.00 O ATOM 466 CB MET A 109 4.939 -8.059 2.940 1.00 0.00 C ATOM 467 CG MET A 109 4.060 -7.598 1.771 1.00 0.00 C ATOM 468 SD MET A 109 2.783 -6.458 2.366 1.00 0.00 S ATOM 469 CE MET A 109 1.845 -6.342 0.825 1.00 0.00 C ATOM 0 H MET A 109 4.081 -6.391 4.512 1.00 0.00 H new ATOM 0 HA MET A 109 3.182 -8.987 3.767 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.623 -7.261 3.229 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.551 -8.908 2.634 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.674 -7.107 1.016 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.595 -8.460 1.293 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.245 -5.432 0.832 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.534 -6.316 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.190 -7.208 0.732 1.00 0.00 H new ATOM 479 N THR A 110 5.571 -8.760 6.009 1.00 0.00 N ATOM 480 CA THR A 110 6.342 -9.522 6.990 1.00 0.00 C ATOM 481 C THR A 110 5.406 -10.217 7.980 1.00 0.00 C ATOM 482 O THR A 110 5.588 -11.389 8.307 1.00 0.00 O ATOM 483 CB THR A 110 7.303 -8.595 7.734 1.00 0.00 C ATOM 484 OG1 THR A 110 8.223 -8.033 6.808 1.00 0.00 O ATOM 485 CG2 THR A 110 8.063 -9.389 8.795 1.00 0.00 C ATOM 0 H THR A 110 5.655 -7.747 6.099 1.00 0.00 H new ATOM 0 HA THR A 110 6.920 -10.284 6.466 1.00 0.00 H new ATOM 0 HB THR A 110 6.740 -7.797 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.920 -7.138 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.748 -8.726 9.324 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.355 -9.820 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.629 -10.188 8.316 1.00 0.00 H new ATOM 493 N ASN A 111 4.396 -9.481 8.441 1.00 0.00 N ATOM 494 CA ASN A 111 3.417 -10.023 9.382 1.00 0.00 C ATOM 495 C ASN A 111 2.678 -11.181 8.726 1.00 0.00 C ATOM 496 O ASN A 111 2.398 -12.209 9.344 1.00 0.00 O ATOM 497 CB ASN A 111 2.411 -8.929 9.747 1.00 0.00 C ATOM 498 CG ASN A 111 1.362 -9.471 10.710 1.00 0.00 C ATOM 499 OD1 ASN A 111 0.245 -9.790 10.301 1.00 0.00 O ATOM 500 ND2 ASN A 111 1.654 -9.590 11.976 1.00 0.00 N ATOM 0 H ASN A 111 4.234 -8.509 8.179 1.00 0.00 H new ATOM 0 HA ASN A 111 3.926 -10.372 10.281 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.930 -8.086 10.202 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.927 -8.556 8.845 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.957 -9.948 12.629 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.580 -9.325 12.313 1.00 0.00 H new ATOM 507 N LEU A 112 2.383 -10.978 7.455 1.00 0.00 N ATOM 508 CA LEU A 112 1.684 -11.948 6.626 1.00 0.00 C ATOM 509 C LEU A 112 2.489 -13.240 6.501 1.00 0.00 C ATOM 510 O LEU A 112 1.935 -14.339 6.492 1.00 0.00 O ATOM 511 CB LEU A 112 1.506 -11.299 5.247 1.00 0.00 C ATOM 512 CG LEU A 112 0.828 -12.229 4.239 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.557 -12.643 4.741 1.00 0.00 C ATOM 514 CD2 LEU A 112 0.681 -11.469 2.911 1.00 0.00 C ATOM 0 H LEU A 112 2.626 -10.120 6.960 1.00 0.00 H new ATOM 0 HA LEU A 112 0.723 -12.211 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.914 -10.390 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.481 -11.001 4.862 1.00 0.00 H new ATOM 0 HG LEU A 112 1.430 -13.128 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.025 -13.304 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.458 -13.164 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.175 -11.756 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.199 -12.113 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.073 -10.578 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.666 -11.177 2.548 1.00 0.00 H new ATOM 526 N GLY A 113 3.804 -13.086 6.374 1.00 0.00 N ATOM 527 CA GLY A 113 4.714 -14.218 6.211 1.00 0.00 C ATOM 528 C GLY A 113 5.327 -14.134 4.824 1.00 0.00 C ATOM 529 O GLY A 113 5.965 -15.068 4.337 1.00 0.00 O ATOM 0 H GLY A 113 4.268 -12.178 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.493 -14.193 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.177 -15.159 6.334 1.00 0.00 H new ATOM 533 N GLU A 114 5.145 -12.962 4.223 1.00 0.00 N ATOM 534 CA GLU A 114 5.688 -12.650 2.911 1.00 0.00 C ATOM 535 C GLU A 114 6.896 -11.753 3.100 1.00 0.00 C ATOM 536 O GLU A 114 6.803 -10.728 3.775 1.00 0.00 O ATOM 537 CB GLU A 114 4.638 -11.922 2.081 1.00 0.00 C ATOM 538 CG GLU A 114 3.532 -12.899 1.694 1.00 0.00 C ATOM 539 CD GLU A 114 4.052 -13.915 0.683 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.043 -13.623 0.036 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.444 -14.966 0.564 1.00 0.00 O ATOM 0 H GLU A 114 4.612 -12.198 4.639 1.00 0.00 H new ATOM 0 HA GLU A 114 5.973 -13.566 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.221 -11.090 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.095 -11.499 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.166 -13.414 2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.688 -12.354 1.271 1.00 0.00 H new ATOM 548 N LYS A 115 8.032 -12.137 2.526 1.00 0.00 N ATOM 549 CA LYS A 115 9.257 -11.349 2.670 1.00 0.00 C ATOM 550 C LYS A 115 9.764 -10.879 1.316 1.00 0.00 C ATOM 551 O LYS A 115 10.381 -11.640 0.570 1.00 0.00 O ATOM 552 CB LYS A 115 10.327 -12.197 3.361 1.00 0.00 C ATOM 553 CG LYS A 115 11.464 -11.298 3.852 1.00 0.00 C ATOM 554 CD LYS A 115 12.434 -12.117 4.710 1.00 0.00 C ATOM 555 CE LYS A 115 13.114 -13.193 3.856 1.00 0.00 C ATOM 556 NZ LYS A 115 14.366 -13.638 4.532 1.00 0.00 N ATOM 0 H LYS A 115 8.133 -12.980 1.961 1.00 0.00 H new ATOM 0 HA LYS A 115 9.037 -10.469 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.890 -12.737 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.715 -12.944 2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.991 -10.865 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.060 -10.469 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.186 -11.461 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.897 -12.583 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.442 -14.040 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.342 -12.798 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.831 -14.368 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.007 -12.827 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.135 -14.030 5.467 1.00 0.00 H new ATOM 570 N LEU A 116 9.494 -9.612 1.008 1.00 0.00 N ATOM 571 CA LEU A 116 9.922 -9.018 -0.254 1.00 0.00 C ATOM 572 C LEU A 116 11.220 -8.248 -0.055 1.00 0.00 C ATOM 573 O LEU A 116 11.485 -7.725 1.027 1.00 0.00 O ATOM 574 CB LEU A 116 8.861 -8.043 -0.769 1.00 0.00 C ATOM 575 CG LEU A 116 7.650 -8.802 -1.314 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.080 -9.728 -0.232 1.00 0.00 C ATOM 577 CD2 LEU A 116 6.583 -7.787 -1.735 1.00 0.00 C ATOM 0 H LEU A 116 8.979 -8.977 1.618 1.00 0.00 H new ATOM 0 HA LEU A 116 10.069 -9.823 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.548 -7.379 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.286 -7.415 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 116 7.951 -9.406 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.218 -10.264 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.843 -10.444 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.773 -9.135 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.713 -8.315 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.288 -7.190 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.988 -7.133 -2.507 1.00 0.00 H new ATOM 589 N THR A 117 12.014 -8.168 -1.111 1.00 0.00 N ATOM 590 CA THR A 117 13.265 -7.442 -1.055 1.00 0.00 C ATOM 591 C THR A 117 12.995 -5.946 -1.118 1.00 0.00 C ATOM 592 O THR A 117 11.881 -5.519 -1.421 1.00 0.00 O ATOM 593 CB THR A 117 14.155 -7.858 -2.226 1.00 0.00 C ATOM 594 OG1 THR A 117 14.357 -9.263 -2.188 1.00 0.00 O ATOM 595 CG2 THR A 117 15.504 -7.147 -2.132 1.00 0.00 C ATOM 0 H THR A 117 11.812 -8.597 -2.014 1.00 0.00 H new ATOM 0 HA THR A 117 13.773 -7.674 -0.119 1.00 0.00 H new ATOM 0 HB THR A 117 13.670 -7.582 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.926 -9.532 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.133 -7.448 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.350 -6.068 -2.163 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.993 -7.416 -1.196 1.00 0.00 H new ATOM 603 N ASP A 118 14.015 -5.156 -0.832 1.00 0.00 N ATOM 604 CA ASP A 118 13.879 -3.705 -0.876 1.00 0.00 C ATOM 605 C ASP A 118 13.565 -3.249 -2.296 1.00 0.00 C ATOM 606 O ASP A 118 12.766 -2.338 -2.505 1.00 0.00 O ATOM 607 CB ASP A 118 15.180 -3.057 -0.394 1.00 0.00 C ATOM 608 CG ASP A 118 15.046 -1.539 -0.392 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.031 -1.053 -0.859 1.00 0.00 O ATOM 610 OD2 ASP A 118 15.965 -0.885 0.076 1.00 0.00 O ATOM 0 H ASP A 118 14.942 -5.489 -0.568 1.00 0.00 H new ATOM 0 HA ASP A 118 13.060 -3.402 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.420 -3.409 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.004 -3.355 -1.042 1.00 0.00 H new ATOM 615 N GLU A 119 14.212 -3.887 -3.262 1.00 0.00 N ATOM 616 CA GLU A 119 14.026 -3.546 -4.667 1.00 0.00 C ATOM 617 C GLU A 119 12.616 -3.880 -5.155 1.00 0.00 C ATOM 618 O GLU A 119 12.018 -3.098 -5.894 1.00 0.00 O ATOM 619 CB GLU A 119 15.049 -4.301 -5.511 1.00 0.00 C ATOM 620 CG GLU A 119 14.934 -3.864 -6.973 1.00 0.00 C ATOM 621 CD GLU A 119 16.033 -4.522 -7.801 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.665 -5.432 -7.290 1.00 0.00 O ATOM 623 OE2 GLU A 119 16.226 -4.104 -8.930 1.00 0.00 O ATOM 0 H GLU A 119 14.873 -4.646 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 119 14.167 -2.470 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.055 -4.106 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.882 -5.375 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.956 -4.139 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.013 -2.779 -7.044 1.00 0.00 H new ATOM 630 N GLU A 120 12.070 -5.019 -4.731 1.00 0.00 N ATOM 631 CA GLU A 120 10.719 -5.375 -5.145 1.00 0.00 C ATOM 632 C GLU A 120 9.748 -4.382 -4.537 1.00 0.00 C ATOM 633 O GLU A 120 8.832 -3.889 -5.196 1.00 0.00 O ATOM 634 CB GLU A 120 10.357 -6.788 -4.687 1.00 0.00 C ATOM 635 CG GLU A 120 11.076 -7.806 -5.570 1.00 0.00 C ATOM 636 CD GLU A 120 10.457 -7.825 -6.964 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.248 -7.978 -7.053 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.198 -7.690 -7.923 1.00 0.00 O ATOM 0 H GLU A 120 12.529 -5.693 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 120 10.664 -5.347 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.642 -6.929 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.279 -6.936 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.135 -7.556 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.011 -8.797 -5.122 1.00 0.00 H new ATOM 645 N VAL A 121 9.978 -4.096 -3.263 1.00 0.00 N ATOM 646 CA VAL A 121 9.151 -3.159 -2.525 1.00 0.00 C ATOM 647 C VAL A 121 9.215 -1.776 -3.169 1.00 0.00 C ATOM 648 O VAL A 121 8.191 -1.154 -3.430 1.00 0.00 O ATOM 649 CB VAL A 121 9.674 -3.099 -1.083 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.055 -1.919 -0.333 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.321 -4.401 -0.362 1.00 0.00 C ATOM 0 H VAL A 121 10.737 -4.504 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 121 8.111 -3.486 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 121 10.756 -2.968 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.439 -1.894 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.313 -0.990 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.971 -2.031 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.691 -4.361 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.239 -4.529 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.781 -5.241 -0.882 1.00 0.00 H new ATOM 661 N ASP A 122 10.427 -1.308 -3.434 1.00 0.00 N ATOM 662 CA ASP A 122 10.611 -0.004 -4.056 1.00 0.00 C ATOM 663 C ASP A 122 10.001 0.023 -5.459 1.00 0.00 C ATOM 664 O ASP A 122 9.292 0.963 -5.815 1.00 0.00 O ATOM 665 CB ASP A 122 12.103 0.322 -4.136 1.00 0.00 C ATOM 666 CG ASP A 122 12.307 1.700 -4.758 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.331 2.270 -5.218 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.435 2.164 -4.763 1.00 0.00 O ATOM 0 H ASP A 122 11.292 -1.808 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 122 10.104 0.744 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.543 0.296 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.617 -0.433 -4.731 1.00 0.00 H new ATOM 673 N GLU A 123 10.293 -1.003 -6.255 1.00 0.00 N ATOM 674 CA GLU A 123 9.781 -1.072 -7.623 1.00 0.00 C ATOM 675 C GLU A 123 8.260 -1.006 -7.633 1.00 0.00 C ATOM 676 O GLU A 123 7.665 -0.322 -8.464 1.00 0.00 O ATOM 677 CB GLU A 123 10.242 -2.373 -8.284 1.00 0.00 C ATOM 678 CG GLU A 123 9.804 -2.393 -9.751 1.00 0.00 C ATOM 679 CD GLU A 123 10.318 -3.658 -10.430 1.00 0.00 C ATOM 680 OE1 GLU A 123 11.185 -4.302 -9.860 1.00 0.00 O ATOM 681 OE2 GLU A 123 9.840 -3.964 -11.510 1.00 0.00 O ATOM 0 H GLU A 123 10.877 -1.793 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 123 10.171 -0.220 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.326 -2.461 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.820 -3.229 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.717 -2.352 -9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.187 -1.512 -10.266 1.00 0.00 H new ATOM 688 N MET A 124 7.634 -1.703 -6.697 1.00 0.00 N ATOM 689 CA MET A 124 6.182 -1.699 -6.601 1.00 0.00 C ATOM 690 C MET A 124 5.682 -0.296 -6.281 1.00 0.00 C ATOM 691 O MET A 124 4.695 0.178 -6.844 1.00 0.00 O ATOM 692 CB MET A 124 5.756 -2.674 -5.501 1.00 0.00 C ATOM 693 CG MET A 124 4.255 -2.542 -5.205 1.00 0.00 C ATOM 694 SD MET A 124 3.604 -4.142 -4.652 1.00 0.00 S ATOM 695 CE MET A 124 4.873 -4.509 -3.411 1.00 0.00 C ATOM 0 H MET A 124 8.105 -2.276 -5.997 1.00 0.00 H new ATOM 0 HA MET A 124 5.750 -2.009 -7.553 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.982 -3.695 -5.807 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.328 -2.479 -4.594 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.090 -1.786 -4.438 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.725 -2.211 -6.098 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.443 -5.127 -2.623 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.698 -5.043 -3.882 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.242 -3.578 -2.981 1.00 0.00 H new ATOM 705 N ILE A 125 6.394 0.357 -5.380 1.00 0.00 N ATOM 706 CA ILE A 125 6.064 1.715 -4.967 1.00 0.00 C ATOM 707 C ILE A 125 6.278 2.718 -6.110 1.00 0.00 C ATOM 708 O ILE A 125 5.416 3.553 -6.375 1.00 0.00 O ATOM 709 CB ILE A 125 6.915 2.059 -3.717 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.147 1.718 -2.422 1.00 0.00 C ATOM 711 CG2 ILE A 125 7.323 3.533 -3.688 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.494 0.332 -2.493 1.00 0.00 C ATOM 0 H ILE A 125 7.213 -0.034 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 125 5.007 1.781 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 125 7.820 1.454 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.831 1.754 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.380 2.472 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.917 3.729 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.913 3.765 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.430 4.158 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.964 0.131 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.790 0.304 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.263 -0.425 -2.643 1.00 0.00 H new ATOM 724 N ARG A 126 7.416 2.631 -6.786 1.00 0.00 N ATOM 725 CA ARG A 126 7.701 3.538 -7.893 1.00 0.00 C ATOM 726 C ARG A 126 6.731 3.283 -9.044 1.00 0.00 C ATOM 727 O ARG A 126 6.305 4.209 -9.735 1.00 0.00 O ATOM 728 CB ARG A 126 9.143 3.339 -8.370 1.00 0.00 C ATOM 729 CG ARG A 126 10.135 3.814 -7.288 1.00 0.00 C ATOM 730 CD ARG A 126 10.407 5.315 -7.433 1.00 0.00 C ATOM 731 NE ARG A 126 11.049 5.579 -8.714 1.00 0.00 N ATOM 732 CZ ARG A 126 11.395 6.809 -9.071 1.00 0.00 C ATOM 733 NH1 ARG A 126 12.159 7.523 -8.291 1.00 0.00 N ATOM 734 NH2 ARG A 126 10.970 7.301 -10.201 1.00 0.00 N ATOM 0 H ARG A 126 8.150 1.950 -6.591 1.00 0.00 H new ATOM 0 HA ARG A 126 7.577 4.565 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.317 2.287 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.308 3.894 -9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.730 3.606 -6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.069 3.259 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.472 5.872 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.045 5.659 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 126 11.236 4.803 -9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.490 7.135 -7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.425 8.469 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.373 6.740 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.235 8.246 -10.477 1.00 0.00 H new ATOM 748 N GLU A 127 6.378 2.018 -9.223 1.00 0.00 N ATOM 749 CA GLU A 127 5.444 1.626 -10.270 1.00 0.00 C ATOM 750 C GLU A 127 4.029 2.097 -9.933 1.00 0.00 C ATOM 751 O GLU A 127 3.310 2.602 -10.795 1.00 0.00 O ATOM 752 CB GLU A 127 5.473 0.104 -10.429 1.00 0.00 C ATOM 753 CG GLU A 127 6.739 -0.313 -11.183 1.00 0.00 C ATOM 754 CD GLU A 127 6.630 0.099 -12.648 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.515 0.285 -13.106 1.00 0.00 O ATOM 756 OE2 GLU A 127 7.661 0.223 -13.287 1.00 0.00 O ATOM 0 H GLU A 127 6.725 1.244 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 127 5.742 2.095 -11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.447 -0.374 -9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.589 -0.231 -10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.613 0.153 -10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.878 -1.392 -11.109 1.00 0.00 H new ATOM 763 N ALA A 128 3.645 1.936 -8.671 1.00 0.00 N ATOM 764 CA ALA A 128 2.321 2.359 -8.228 1.00 0.00 C ATOM 765 C ALA A 128 2.261 3.882 -8.116 1.00 0.00 C ATOM 766 O ALA A 128 1.183 4.468 -8.150 1.00 0.00 O ATOM 767 CB ALA A 128 1.981 1.711 -6.875 1.00 0.00 C ATOM 0 H ALA A 128 4.225 1.520 -7.943 1.00 0.00 H new ATOM 0 HA ALA A 128 1.586 2.035 -8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.990 2.035 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.993 0.626 -6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.719 2.013 -6.131 1.00 0.00 H new ATOM 773 N ASP A 129 3.427 4.522 -7.990 1.00 0.00 N ATOM 774 CA ASP A 129 3.490 5.981 -7.877 1.00 0.00 C ATOM 775 C ASP A 129 3.656 6.616 -9.255 1.00 0.00 C ATOM 776 O ASP A 129 4.636 6.358 -9.953 1.00 0.00 O ATOM 777 CB ASP A 129 4.664 6.391 -6.980 1.00 0.00 C ATOM 778 CG ASP A 129 4.515 7.841 -6.541 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.397 8.322 -6.521 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.524 8.447 -6.225 1.00 0.00 O ATOM 0 H ASP A 129 4.334 4.056 -7.964 1.00 0.00 H new ATOM 0 HA ASP A 129 2.558 6.332 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.706 5.742 -6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.603 6.262 -7.518 1.00 0.00 H new ATOM 785 N VAL A 130 2.683 7.439 -9.644 1.00 0.00 N ATOM 786 CA VAL A 130 2.706 8.111 -10.943 1.00 0.00 C ATOM 787 C VAL A 130 2.654 9.608 -10.749 1.00 0.00 C ATOM 788 O VAL A 130 3.110 10.372 -11.600 1.00 0.00 O ATOM 789 CB VAL A 130 1.509 7.668 -11.786 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.674 8.180 -13.217 1.00 0.00 C ATOM 791 CG2 VAL A 130 1.425 6.143 -11.799 1.00 0.00 C ATOM 0 H VAL A 130 1.865 7.657 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 130 3.628 7.843 -11.458 1.00 0.00 H new ATOM 0 HB VAL A 130 0.595 8.077 -11.356 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.821 7.864 -13.817 1.00 0.00 H new ATOM 0 HG12 VAL A 130 1.729 9.269 -13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 130 2.590 7.773 -13.646 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.571 5.831 -12.400 1.00 0.00 H new ATOM 0 HG22 VAL A 130 2.340 5.732 -12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 130 1.304 5.777 -10.780 1.00 0.00 H new ATOM 801 N ASP A 131 2.139 10.027 -9.602 1.00 0.00 N ATOM 802 CA ASP A 131 2.087 11.442 -9.288 1.00 0.00 C ATOM 803 C ASP A 131 3.434 11.827 -8.711 1.00 0.00 C ATOM 804 O ASP A 131 3.748 13.004 -8.537 1.00 0.00 O ATOM 805 CB ASP A 131 0.981 11.722 -8.269 1.00 0.00 C ATOM 806 CG ASP A 131 1.199 10.871 -7.025 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.286 10.342 -6.881 1.00 0.00 O ATOM 808 OD2 ASP A 131 0.278 10.768 -6.231 1.00 0.00 O ATOM 0 H ASP A 131 1.756 9.413 -8.883 1.00 0.00 H new ATOM 0 HA ASP A 131 1.869 12.023 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.979 12.779 -8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.007 11.501 -8.706 1.00 0.00 H new ATOM 813 N GLY A 132 4.229 10.795 -8.414 1.00 0.00 N ATOM 814 CA GLY A 132 5.557 11.009 -7.855 1.00 0.00 C ATOM 815 C GLY A 132 5.481 11.571 -6.432 1.00 0.00 C ATOM 816 O GLY A 132 5.734 12.754 -6.205 1.00 0.00 O ATOM 0 H GLY A 132 3.976 9.816 -8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.106 10.067 -7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.114 11.697 -8.490 1.00 0.00 H new ATOM 820 N ASP A 133 5.133 10.704 -5.479 1.00 0.00 N ATOM 821 CA ASP A 133 5.025 11.105 -4.067 1.00 0.00 C ATOM 822 C ASP A 133 5.822 10.165 -3.162 1.00 0.00 C ATOM 823 O ASP A 133 6.276 10.563 -2.088 1.00 0.00 O ATOM 824 CB ASP A 133 3.558 11.105 -3.634 1.00 0.00 C ATOM 825 CG ASP A 133 3.028 9.677 -3.594 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.641 8.820 -4.210 1.00 0.00 O ATOM 827 OD2 ASP A 133 2.018 9.461 -2.945 1.00 0.00 O ATOM 0 H ASP A 133 4.921 9.722 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 133 5.438 12.109 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.460 11.566 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.965 11.703 -4.327 1.00 0.00 H new ATOM 832 N GLY A 134 5.985 8.917 -3.594 1.00 0.00 N ATOM 833 CA GLY A 134 6.726 7.926 -2.807 1.00 0.00 C ATOM 834 C GLY A 134 5.794 7.178 -1.858 1.00 0.00 C ATOM 835 O GLY A 134 6.233 6.342 -1.068 1.00 0.00 O ATOM 0 H GLY A 134 5.618 8.566 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.216 7.218 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.511 8.422 -2.236 1.00 0.00 H new ATOM 839 N GLN A 135 4.504 7.476 -1.959 1.00 0.00 N ATOM 840 CA GLN A 135 3.489 6.828 -1.129 1.00 0.00 C ATOM 841 C GLN A 135 2.303 6.455 -1.990 1.00 0.00 C ATOM 842 O GLN A 135 2.036 7.100 -3.004 1.00 0.00 O ATOM 843 CB GLN A 135 3.021 7.770 -0.016 1.00 0.00 C ATOM 844 CG GLN A 135 4.052 7.794 1.102 1.00 0.00 C ATOM 845 CD GLN A 135 3.725 8.896 2.102 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.591 8.999 2.567 1.00 0.00 O ATOM 847 NE2 GLN A 135 4.660 9.733 2.459 1.00 0.00 N ATOM 0 H GLN A 135 4.132 8.166 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 135 3.924 5.936 -0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.878 8.775 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.057 7.440 0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.072 6.829 1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.046 7.956 0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.599 9.644 2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.452 10.476 3.126 1.00 0.00 H new ATOM 856 N ILE A 136 1.579 5.421 -1.584 1.00 0.00 N ATOM 857 CA ILE A 136 0.410 4.991 -2.333 1.00 0.00 C ATOM 858 C ILE A 136 -0.820 5.452 -1.582 1.00 0.00 C ATOM 859 O ILE A 136 -1.111 4.966 -0.488 1.00 0.00 O ATOM 860 CB ILE A 136 0.413 3.461 -2.482 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.835 2.980 -2.802 1.00 0.00 C ATOM 862 CG2 ILE A 136 -0.541 3.026 -3.599 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.396 3.721 -4.024 1.00 0.00 C ATOM 0 H ILE A 136 1.779 4.870 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 136 0.417 5.423 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 136 0.077 3.017 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 136 2.483 3.146 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.827 1.907 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.525 1.940 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.553 3.355 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.225 3.473 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.405 3.365 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 136 1.758 3.533 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.424 4.791 -3.819 1.00 0.00 H new ATOM 875 N ASN A 137 -1.551 6.382 -2.176 1.00 0.00 N ATOM 876 CA ASN A 137 -2.757 6.884 -1.555 1.00 0.00 C ATOM 877 C ASN A 137 -3.864 5.877 -1.831 1.00 0.00 C ATOM 878 O ASN A 137 -3.679 4.970 -2.640 1.00 0.00 O ATOM 879 CB ASN A 137 -3.103 8.281 -2.112 1.00 0.00 C ATOM 880 CG ASN A 137 -1.834 8.996 -2.574 1.00 0.00 C ATOM 881 OD1 ASN A 137 -0.740 8.692 -2.098 1.00 0.00 O ATOM 882 ND2 ASN A 137 -1.914 9.936 -3.478 1.00 0.00 N ATOM 0 H ASN A 137 -1.329 6.799 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.626 6.999 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.799 8.186 -2.945 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.603 8.872 -1.345 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.070 10.418 -3.789 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.820 10.188 -3.873 1.00 0.00 H new ATOM 889 N TYR A 138 -4.993 6.003 -1.161 1.00 0.00 N ATOM 890 CA TYR A 138 -6.065 5.043 -1.377 1.00 0.00 C ATOM 891 C TYR A 138 -6.452 4.982 -2.855 1.00 0.00 C ATOM 892 O TYR A 138 -6.544 3.899 -3.433 1.00 0.00 O ATOM 893 CB TYR A 138 -7.285 5.419 -0.533 1.00 0.00 C ATOM 894 CG TYR A 138 -8.429 4.510 -0.906 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.318 3.140 -0.681 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.583 5.032 -1.503 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.353 2.283 -1.044 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.623 4.172 -1.872 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.509 2.797 -1.639 1.00 0.00 C ATOM 900 OH TYR A 138 -11.532 1.946 -2.003 1.00 0.00 O ATOM 0 H TYR A 138 -5.192 6.737 -0.481 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.708 4.059 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.055 5.321 0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.558 6.460 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.425 2.741 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.670 6.094 -1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.263 1.222 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.513 4.569 -2.336 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.274 1.021 -1.806 1.00 0.00 H new ATOM 910 N GLU A 139 -6.677 6.140 -3.460 1.00 0.00 N ATOM 911 CA GLU A 139 -7.057 6.188 -4.868 1.00 0.00 C ATOM 912 C GLU A 139 -6.019 5.481 -5.737 1.00 0.00 C ATOM 913 O GLU A 139 -6.362 4.665 -6.591 1.00 0.00 O ATOM 914 CB GLU A 139 -7.219 7.644 -5.319 1.00 0.00 C ATOM 915 CG GLU A 139 -6.040 8.487 -4.815 1.00 0.00 C ATOM 916 CD GLU A 139 -6.236 9.947 -5.207 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.158 10.219 -5.959 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.460 10.771 -4.752 1.00 0.00 O ATOM 0 H GLU A 139 -6.605 7.050 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.009 5.670 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.272 7.692 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.156 8.049 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.958 8.401 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.108 8.111 -5.236 1.00 0.00 H new ATOM 925 N GLU A 140 -4.752 5.800 -5.522 1.00 0.00 N ATOM 926 CA GLU A 140 -3.680 5.187 -6.293 1.00 0.00 C ATOM 927 C GLU A 140 -3.637 3.694 -6.003 1.00 0.00 C ATOM 928 O GLU A 140 -3.391 2.880 -6.894 1.00 0.00 O ATOM 929 CB GLU A 140 -2.352 5.832 -5.909 1.00 0.00 C ATOM 930 CG GLU A 140 -1.256 5.386 -6.872 1.00 0.00 C ATOM 931 CD GLU A 140 0.009 6.196 -6.613 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.686 5.906 -5.643 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.282 7.095 -7.391 1.00 0.00 O ATOM 0 H GLU A 140 -4.441 6.476 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.858 5.337 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.446 6.918 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.086 5.555 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.053 4.323 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.584 5.524 -7.902 1.00 0.00 H new ATOM 940 N PHE A 141 -3.904 3.351 -4.748 1.00 0.00 N ATOM 941 CA PHE A 141 -3.928 1.956 -4.334 1.00 0.00 C ATOM 942 C PHE A 141 -5.038 1.237 -5.081 1.00 0.00 C ATOM 943 O PHE A 141 -4.859 0.128 -5.578 1.00 0.00 O ATOM 944 CB PHE A 141 -4.183 1.838 -2.826 1.00 0.00 C ATOM 945 CG PHE A 141 -3.909 0.417 -2.374 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.606 -0.094 -2.442 1.00 0.00 C ATOM 947 CD2 PHE A 141 -4.946 -0.391 -1.875 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.340 -1.398 -2.021 1.00 0.00 C ATOM 949 CE2 PHE A 141 -4.676 -1.695 -1.454 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.374 -2.197 -1.527 1.00 0.00 C ATOM 0 H PHE A 141 -4.106 4.018 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.961 1.508 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.542 2.533 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.214 2.110 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.805 0.523 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -5.952 -0.003 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.335 -1.789 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.473 -2.315 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.167 -3.205 -1.201 1.00 0.00 H new ATOM 960 N VAL A 142 -6.189 1.893 -5.148 1.00 0.00 N ATOM 961 CA VAL A 142 -7.344 1.333 -5.825 1.00 0.00 C ATOM 962 C VAL A 142 -6.993 1.044 -7.277 1.00 0.00 C ATOM 963 O VAL A 142 -7.301 -0.025 -7.796 1.00 0.00 O ATOM 964 CB VAL A 142 -8.512 2.331 -5.739 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.640 1.924 -6.694 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.053 2.381 -4.298 1.00 0.00 C ATOM 0 H VAL A 142 -6.345 2.815 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.640 0.399 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.145 3.317 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.457 2.642 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.263 1.909 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.003 0.932 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.880 3.089 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.404 1.391 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.259 2.698 -3.622 1.00 0.00 H new ATOM 976 N LYS A 143 -6.335 1.995 -7.927 1.00 0.00 N ATOM 977 CA LYS A 143 -5.943 1.815 -9.314 1.00 0.00 C ATOM 978 C LYS A 143 -4.968 0.640 -9.458 1.00 0.00 C ATOM 979 O LYS A 143 -5.104 -0.176 -10.368 1.00 0.00 O ATOM 980 CB LYS A 143 -5.287 3.098 -9.830 1.00 0.00 C ATOM 981 CG LYS A 143 -6.328 4.219 -9.900 1.00 0.00 C ATOM 982 CD LYS A 143 -5.660 5.500 -10.408 1.00 0.00 C ATOM 983 CE LYS A 143 -6.678 6.644 -10.431 1.00 0.00 C ATOM 984 NZ LYS A 143 -7.713 6.375 -11.470 1.00 0.00 N ATOM 0 H LYS A 143 -6.065 2.890 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.834 1.595 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.469 3.389 -9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.857 2.926 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.143 3.933 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -6.764 4.388 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -4.820 5.762 -9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -5.258 5.339 -11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -7.148 6.745 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -6.174 7.588 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -8.257 7.243 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -7.251 6.067 -12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -8.354 5.627 -11.136 1.00 0.00 H new ATOM 998 N VAL A 144 -3.990 0.558 -8.551 1.00 0.00 N ATOM 999 CA VAL A 144 -3.002 -0.519 -8.584 1.00 0.00 C ATOM 1000 C VAL A 144 -3.619 -1.877 -8.242 1.00 0.00 C ATOM 1001 O VAL A 144 -3.323 -2.883 -8.883 1.00 0.00 O ATOM 1002 CB VAL A 144 -1.885 -0.209 -7.580 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -0.923 -1.403 -7.465 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.118 1.044 -8.030 1.00 0.00 C ATOM 0 H VAL A 144 -3.863 1.223 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.607 -0.577 -9.598 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.329 -0.026 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.136 -1.168 -6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.472 -2.281 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.478 -1.607 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.325 1.262 -7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -0.682 0.870 -9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.803 1.891 -8.082 1.00 0.00 H new ATOM 1014 N MET A 145 -4.458 -1.900 -7.214 1.00 0.00 N ATOM 1015 CA MET A 145 -5.086 -3.146 -6.779 1.00 0.00 C ATOM 1016 C MET A 145 -6.231 -3.543 -7.715 1.00 0.00 C ATOM 1017 O MET A 145 -6.413 -4.721 -8.022 1.00 0.00 O ATOM 1018 CB MET A 145 -5.599 -2.984 -5.324 1.00 0.00 C ATOM 1019 CG MET A 145 -5.133 -4.154 -4.448 1.00 0.00 C ATOM 1020 SD MET A 145 -3.417 -3.850 -3.966 1.00 0.00 S ATOM 1021 CE MET A 145 -3.006 -5.537 -3.479 1.00 0.00 C ATOM 0 H MET A 145 -4.719 -1.079 -6.668 1.00 0.00 H new ATOM 0 HA MET A 145 -4.344 -3.944 -6.812 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.235 -2.045 -4.908 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.688 -2.933 -5.321 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.766 -4.243 -3.565 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.214 -5.094 -4.994 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.970 -5.576 -3.141 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.664 -5.853 -2.669 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.135 -6.204 -4.332 1.00 0.00 H new ATOM 1031 N MET A 146 -6.999 -2.555 -8.156 1.00 0.00 N ATOM 1032 CA MET A 146 -8.126 -2.821 -9.041 1.00 0.00 C ATOM 1033 C MET A 146 -7.647 -3.262 -10.421 1.00 0.00 C ATOM 1034 O MET A 146 -8.141 -4.247 -10.970 1.00 0.00 O ATOM 1035 CB MET A 146 -8.988 -1.566 -9.176 1.00 0.00 C ATOM 1036 CG MET A 146 -10.246 -1.889 -9.983 1.00 0.00 C ATOM 1037 SD MET A 146 -11.258 -0.398 -10.140 1.00 0.00 S ATOM 1038 CE MET A 146 -10.493 0.236 -11.652 1.00 0.00 C ATOM 0 H MET A 146 -6.865 -1.572 -7.919 1.00 0.00 H new ATOM 0 HA MET A 146 -8.716 -3.627 -8.606 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.263 -1.194 -8.189 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.422 -0.775 -9.668 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.972 -2.262 -10.970 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.815 -2.678 -9.491 1.00 0.00 H new ATOM 0 HE1 MET A 146 -10.973 1.172 -11.938 1.00 0.00 H new ATOM 0 HE2 MET A 146 -9.432 0.412 -11.477 1.00 0.00 H new ATOM 0 HE3 MET A 146 -10.613 -0.493 -12.454 1.00 0.00 H new