USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=9 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 107 HIS : no HD1:sc= -0.762 X(o=-2.3,f=-2.6!) USER MOD Set 1.2: A 111 ASN : amide:sc= -1.58! C(o=-2.3!,f=-2.6!) USER MOD Single : A 81 SER OG : rot 38:sc= 0.0723 USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 0.425 (180deg=-1.14!) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0741) USER MOD Single : A 96 GLN : amide:sc= -2.88! C(o=-2.9!,f=-6.8!) USER MOD Single : A 97 ASN : amide:sc= 0.0788 K(o=0.079,f=-9.6!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 103:sc= 1.12 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 137 ASN : amide:sc= -1.2! C(o=-1.2!,f=-7.9!) USER MOD Single : A 138 TYR OH : rot -146:sc= -0.136 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 156:sc= -0.0792 (180deg=-0.43) USER MOD Single : A 146 MET CE :methyl -152:sc= -0.176 (180deg=-1.24) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -18.035 -4.570 -2.273 1.00 0.00 N ATOM 16 CA SER A 81 -16.661 -4.798 -2.698 1.00 0.00 C ATOM 17 C SER A 81 -15.798 -3.589 -2.358 1.00 0.00 C ATOM 18 O SER A 81 -14.703 -3.729 -1.814 1.00 0.00 O ATOM 19 CB SER A 81 -16.618 -5.044 -4.207 1.00 0.00 C ATOM 20 OG SER A 81 -17.354 -6.222 -4.512 1.00 0.00 O ATOM 0 HA SER A 81 -16.274 -5.673 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.039 -4.190 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.586 -5.150 -4.541 1.00 0.00 H new ATOM 0 HG SER A 81 -18.146 -6.271 -3.937 1.00 0.00 H new ATOM 26 N GLU A 82 -16.296 -2.403 -2.687 1.00 0.00 N ATOM 27 CA GLU A 82 -15.559 -1.173 -2.420 1.00 0.00 C ATOM 28 C GLU A 82 -15.239 -1.063 -0.929 1.00 0.00 C ATOM 29 O GLU A 82 -14.129 -0.690 -0.551 1.00 0.00 O ATOM 30 CB GLU A 82 -16.406 0.038 -2.885 1.00 0.00 C ATOM 31 CG GLU A 82 -15.819 0.659 -4.163 1.00 0.00 C ATOM 32 CD GLU A 82 -14.631 1.548 -3.808 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.861 2.623 -3.278 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.509 1.142 -4.068 1.00 0.00 O ATOM 0 H GLU A 82 -17.201 -2.267 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.618 -1.185 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.432 -0.280 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.441 0.788 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.504 -0.128 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.582 1.244 -4.677 1.00 0.00 H new ATOM 41 N GLU A 83 -16.211 -1.392 -0.089 1.00 0.00 N ATOM 42 CA GLU A 83 -16.009 -1.330 1.346 1.00 0.00 C ATOM 43 C GLU A 83 -14.927 -2.322 1.756 1.00 0.00 C ATOM 44 O GLU A 83 -14.084 -2.028 2.606 1.00 0.00 O ATOM 45 CB GLU A 83 -17.329 -1.648 2.068 1.00 0.00 C ATOM 46 CG GLU A 83 -18.342 -0.514 1.832 1.00 0.00 C ATOM 47 CD GLU A 83 -18.997 -0.654 0.459 1.00 0.00 C ATOM 48 OE1 GLU A 83 -18.585 -1.523 -0.292 1.00 0.00 O ATOM 49 OE2 GLU A 83 -19.899 0.118 0.175 1.00 0.00 O ATOM 0 H GLU A 83 -17.139 -1.702 -0.377 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.688 -0.326 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.735 -2.592 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.149 -1.770 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.106 -0.534 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.839 0.451 1.904 1.00 0.00 H new ATOM 56 N GLU A 84 -14.937 -3.488 1.123 1.00 0.00 N ATOM 57 CA GLU A 84 -13.943 -4.512 1.401 1.00 0.00 C ATOM 58 C GLU A 84 -12.551 -4.027 0.990 1.00 0.00 C ATOM 59 O GLU A 84 -11.569 -4.260 1.692 1.00 0.00 O ATOM 60 CB GLU A 84 -14.333 -5.797 0.653 1.00 0.00 C ATOM 61 CG GLU A 84 -13.113 -6.701 0.480 1.00 0.00 C ATOM 62 CD GLU A 84 -13.551 -8.115 0.116 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.690 -8.274 -0.293 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.743 -9.018 0.253 1.00 0.00 O ATOM 0 H GLU A 84 -15.623 -3.747 0.414 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.912 -4.721 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.110 -6.325 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.749 -5.546 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.464 -6.302 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.531 -6.719 1.402 1.00 0.00 H new ATOM 71 N LEU A 85 -12.478 -3.353 -0.145 1.00 0.00 N ATOM 72 CA LEU A 85 -11.202 -2.837 -0.629 1.00 0.00 C ATOM 73 C LEU A 85 -10.628 -1.840 0.372 1.00 0.00 C ATOM 74 O LEU A 85 -9.437 -1.862 0.682 1.00 0.00 O ATOM 75 CB LEU A 85 -11.406 -2.150 -1.982 1.00 0.00 C ATOM 76 CG LEU A 85 -10.092 -1.556 -2.490 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.008 -2.644 -2.582 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.326 -0.943 -3.873 1.00 0.00 C ATOM 0 H LEU A 85 -13.277 -3.150 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.503 -3.666 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.790 -2.869 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.154 -1.363 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.752 -0.789 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.080 -2.203 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.842 -3.077 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.333 -3.424 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.394 -0.516 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.670 -1.716 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.080 -0.160 -3.801 1.00 0.00 H new ATOM 90 N LYS A 86 -11.494 -0.969 0.872 1.00 0.00 N ATOM 91 CA LYS A 86 -11.090 0.041 1.843 1.00 0.00 C ATOM 92 C LYS A 86 -10.613 -0.619 3.132 1.00 0.00 C ATOM 93 O LYS A 86 -9.697 -0.122 3.789 1.00 0.00 O ATOM 94 CB LYS A 86 -12.254 0.988 2.112 1.00 0.00 C ATOM 95 CG LYS A 86 -12.503 1.812 0.849 1.00 0.00 C ATOM 96 CD LYS A 86 -13.742 2.689 1.033 1.00 0.00 C ATOM 97 CE LYS A 86 -13.985 3.494 -0.244 1.00 0.00 C ATOM 98 NZ LYS A 86 -12.895 4.495 -0.415 1.00 0.00 N ATOM 0 H LYS A 86 -12.482 -0.941 0.621 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.259 0.617 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.148 0.425 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.025 1.642 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.635 2.435 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.640 1.150 -0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.610 2.069 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.603 3.361 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.020 2.827 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.950 3.997 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.251 5.306 -0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.573 4.821 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.099 4.058 -0.922 1.00 0.00 H new ATOM 112 N GLU A 87 -11.197 -1.766 3.463 1.00 0.00 N ATOM 113 CA GLU A 87 -10.758 -2.491 4.650 1.00 0.00 C ATOM 114 C GLU A 87 -9.324 -2.952 4.422 1.00 0.00 C ATOM 115 O GLU A 87 -8.469 -2.828 5.297 1.00 0.00 O ATOM 116 CB GLU A 87 -11.662 -3.693 4.927 1.00 0.00 C ATOM 117 CG GLU A 87 -13.012 -3.205 5.456 1.00 0.00 C ATOM 118 CD GLU A 87 -12.849 -2.597 6.847 1.00 0.00 C ATOM 119 OE1 GLU A 87 -11.872 -2.921 7.502 1.00 0.00 O ATOM 120 OE2 GLU A 87 -13.703 -1.819 7.235 1.00 0.00 O ATOM 0 H GLU A 87 -11.956 -2.205 2.942 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.813 -1.834 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.805 -4.272 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.192 -4.355 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.431 -2.464 4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.716 -4.036 5.495 1.00 0.00 H new ATOM 127 N ALA A 88 -9.073 -3.461 3.218 1.00 0.00 N ATOM 128 CA ALA A 88 -7.737 -3.915 2.849 1.00 0.00 C ATOM 129 C ALA A 88 -6.764 -2.743 2.929 1.00 0.00 C ATOM 130 O ALA A 88 -5.660 -2.867 3.451 1.00 0.00 O ATOM 131 CB ALA A 88 -7.753 -4.475 1.426 1.00 0.00 C ATOM 0 H ALA A 88 -9.774 -3.569 2.485 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.420 -4.699 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.752 -4.812 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.446 -5.315 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.073 -3.697 0.732 1.00 0.00 H new ATOM 137 N PHE A 89 -7.196 -1.601 2.421 1.00 0.00 N ATOM 138 CA PHE A 89 -6.378 -0.397 2.449 1.00 0.00 C ATOM 139 C PHE A 89 -6.053 -0.008 3.890 1.00 0.00 C ATOM 140 O PHE A 89 -4.914 0.318 4.219 1.00 0.00 O ATOM 141 CB PHE A 89 -7.130 0.728 1.753 1.00 0.00 C ATOM 142 CG PHE A 89 -6.406 2.029 1.969 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.277 2.335 1.203 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.862 2.924 2.940 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.604 3.541 1.408 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.188 4.130 3.150 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.057 4.439 2.382 1.00 0.00 C ATOM 0 H PHE A 89 -8.109 -1.481 1.983 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.438 -0.583 1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.212 0.519 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.145 0.796 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.926 1.640 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.735 2.684 3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.734 3.781 0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.538 4.822 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.534 5.371 2.542 1.00 0.00 H new ATOM 157 N ARG A 90 -7.072 -0.042 4.739 1.00 0.00 N ATOM 158 CA ARG A 90 -6.909 0.309 6.140 1.00 0.00 C ATOM 159 C ARG A 90 -5.927 -0.644 6.819 1.00 0.00 C ATOM 160 O ARG A 90 -5.164 -0.247 7.700 1.00 0.00 O ATOM 161 CB ARG A 90 -8.271 0.247 6.832 1.00 0.00 C ATOM 162 CG ARG A 90 -8.193 0.966 8.172 1.00 0.00 C ATOM 163 CD ARG A 90 -9.565 0.954 8.839 1.00 0.00 C ATOM 164 NE ARG A 90 -9.971 -0.416 9.127 1.00 0.00 N ATOM 165 CZ ARG A 90 -9.609 -1.022 10.253 1.00 0.00 C ATOM 166 NH1 ARG A 90 -10.011 -0.556 11.403 1.00 0.00 N ATOM 167 NH2 ARG A 90 -8.848 -2.080 10.207 1.00 0.00 N ATOM 0 H ARG A 90 -8.021 -0.310 4.479 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.507 1.320 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.032 0.709 6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.568 -0.791 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.460 0.479 8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.857 1.993 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.534 1.534 9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.299 1.429 8.188 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.545 -0.920 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.603 0.274 11.438 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.733 -1.021 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.531 -2.442 9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.570 -2.546 11.071 1.00 0.00 H new ATOM 181 N VAL A 91 -5.934 -1.901 6.377 1.00 0.00 N ATOM 182 CA VAL A 91 -5.021 -2.904 6.918 1.00 0.00 C ATOM 183 C VAL A 91 -3.583 -2.555 6.539 1.00 0.00 C ATOM 184 O VAL A 91 -2.671 -2.619 7.362 1.00 0.00 O ATOM 185 CB VAL A 91 -5.379 -4.289 6.348 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.275 -5.300 6.685 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.717 -4.771 6.932 1.00 0.00 C ATOM 0 H VAL A 91 -6.559 -2.247 5.649 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.113 -2.922 8.004 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.470 -4.207 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.538 -6.276 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.332 -4.968 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.169 -5.376 7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.961 -5.751 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.636 -4.841 8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.504 -4.063 6.671 1.00 0.00 H new ATOM 197 N PHE A 92 -3.402 -2.202 5.270 1.00 0.00 N ATOM 198 CA PHE A 92 -2.087 -1.860 4.737 1.00 0.00 C ATOM 199 C PHE A 92 -1.487 -0.628 5.415 1.00 0.00 C ATOM 200 O PHE A 92 -0.283 -0.572 5.660 1.00 0.00 O ATOM 201 CB PHE A 92 -2.197 -1.585 3.226 1.00 0.00 C ATOM 202 CG PHE A 92 -2.341 -2.883 2.451 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.321 -3.841 2.492 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.487 -3.125 1.685 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.452 -5.033 1.771 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.620 -4.310 0.964 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.601 -5.269 1.005 1.00 0.00 C ATOM 0 H PHE A 92 -4.157 -2.145 4.586 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.431 -2.708 4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.055 -0.942 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.312 -1.048 2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.433 -3.660 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.275 -2.387 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.666 -5.773 1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.507 -4.488 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.700 -6.189 0.447 1.00 0.00 H new ATOM 217 N ASP A 93 -2.321 0.367 5.672 1.00 0.00 N ATOM 218 CA ASP A 93 -1.849 1.614 6.274 1.00 0.00 C ATOM 219 C ASP A 93 -1.741 1.524 7.796 1.00 0.00 C ATOM 220 O ASP A 93 -2.686 1.851 8.514 1.00 0.00 O ATOM 221 CB ASP A 93 -2.813 2.740 5.897 1.00 0.00 C ATOM 222 CG ASP A 93 -2.191 4.096 6.215 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.997 4.138 6.463 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.920 5.074 6.203 1.00 0.00 O ATOM 0 H ASP A 93 -3.322 0.341 5.477 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.848 1.813 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.053 2.682 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.749 2.625 6.443 1.00 0.00 H new ATOM 229 N LYS A 94 -0.580 1.090 8.286 1.00 0.00 N ATOM 230 CA LYS A 94 -0.372 0.978 9.711 1.00 0.00 C ATOM 231 C LYS A 94 -0.481 2.352 10.357 1.00 0.00 C ATOM 232 O LYS A 94 -1.162 2.527 11.365 1.00 0.00 O ATOM 233 CB LYS A 94 1.013 0.397 9.971 1.00 0.00 C ATOM 234 CG LYS A 94 1.228 0.173 11.466 1.00 0.00 C ATOM 235 CD LYS A 94 0.328 -0.961 11.980 1.00 0.00 C ATOM 236 CE LYS A 94 0.858 -1.475 13.320 1.00 0.00 C ATOM 237 NZ LYS A 94 0.743 -0.401 14.347 1.00 0.00 N ATOM 0 H LYS A 94 0.219 0.815 7.715 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.130 0.323 10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.124 -0.546 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.776 1.074 9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.273 -0.071 11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.011 1.092 12.011 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.695 -0.602 12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.300 -1.773 11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.294 -2.354 13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.898 -1.784 13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.925 -0.801 15.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.439 0.346 14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.215 0.003 14.321 1.00 0.00 H new ATOM 251 N ASP A 95 0.201 3.323 9.768 1.00 0.00 N ATOM 252 CA ASP A 95 0.181 4.679 10.292 1.00 0.00 C ATOM 253 C ASP A 95 -1.240 5.251 10.234 1.00 0.00 C ATOM 254 O ASP A 95 -1.559 6.218 10.930 1.00 0.00 O ATOM 255 CB ASP A 95 1.132 5.560 9.467 1.00 0.00 C ATOM 256 CG ASP A 95 2.527 4.940 9.442 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.965 4.478 10.481 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.134 4.929 8.380 1.00 0.00 O ATOM 0 H ASP A 95 0.772 3.198 8.932 1.00 0.00 H new ATOM 0 HA ASP A 95 0.508 4.664 11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.753 5.665 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.177 6.561 9.896 1.00 0.00 H new ATOM 263 N GLN A 96 -2.095 4.641 9.401 1.00 0.00 N ATOM 264 CA GLN A 96 -3.485 5.103 9.259 1.00 0.00 C ATOM 265 C GLN A 96 -3.524 6.605 8.936 1.00 0.00 C ATOM 266 O GLN A 96 -4.363 7.316 9.484 1.00 0.00 O ATOM 267 CB GLN A 96 -4.283 4.857 10.582 1.00 0.00 C ATOM 268 CG GLN A 96 -4.823 3.420 10.687 1.00 0.00 C ATOM 269 CD GLN A 96 -5.607 3.005 9.451 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.706 3.506 9.190 1.00 0.00 O ATOM 271 NE2 GLN A 96 -5.081 2.075 8.698 1.00 0.00 N ATOM 0 H GLN A 96 -1.854 3.837 8.822 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.940 4.540 8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.637 5.062 11.436 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.115 5.559 10.636 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.991 2.732 10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.464 3.338 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.172 1.679 8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.580 1.746 7.871 1.00 0.00 H new ATOM 280 N ASN A 97 -2.651 7.104 8.057 1.00 0.00 N ATOM 281 CA ASN A 97 -2.686 8.540 7.736 1.00 0.00 C ATOM 282 C ASN A 97 -3.344 8.757 6.385 1.00 0.00 C ATOM 283 O ASN A 97 -3.372 9.874 5.867 1.00 0.00 O ATOM 284 CB ASN A 97 -1.268 9.104 7.725 1.00 0.00 C ATOM 285 CG ASN A 97 -0.473 8.425 6.636 1.00 0.00 C ATOM 286 OD1 ASN A 97 -0.894 7.394 6.114 1.00 0.00 O ATOM 287 ND2 ASN A 97 0.658 8.939 6.251 1.00 0.00 N ATOM 0 H ASN A 97 -1.936 6.563 7.570 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.268 9.059 8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.293 10.181 7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.793 8.944 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.199 8.487 5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.004 9.794 6.686 1.00 0.00 H new ATOM 294 N GLY A 98 -3.872 7.673 5.837 1.00 0.00 N ATOM 295 CA GLY A 98 -4.534 7.720 4.540 1.00 0.00 C ATOM 296 C GLY A 98 -3.504 7.560 3.427 1.00 0.00 C ATOM 297 O GLY A 98 -3.699 8.029 2.307 1.00 0.00 O ATOM 0 H GLY A 98 -3.855 6.749 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.280 6.928 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.062 8.666 4.425 1.00 0.00 H new ATOM 301 N PHE A 99 -2.408 6.878 3.753 1.00 0.00 N ATOM 302 CA PHE A 99 -1.338 6.633 2.792 1.00 0.00 C ATOM 303 C PHE A 99 -0.619 5.334 3.121 1.00 0.00 C ATOM 304 O PHE A 99 -0.517 4.953 4.287 1.00 0.00 O ATOM 305 CB PHE A 99 -0.316 7.768 2.837 1.00 0.00 C ATOM 306 CG PHE A 99 -0.923 9.028 2.277 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.729 9.831 3.084 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.686 9.384 0.947 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.300 10.998 2.566 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.257 10.549 0.422 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.064 11.357 1.234 1.00 0.00 C ATOM 0 H PHE A 99 -2.239 6.485 4.679 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.786 6.571 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.009 7.936 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.569 7.495 2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.913 9.551 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.062 8.760 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.922 11.621 3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.076 10.825 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.504 12.257 0.832 1.00 0.00 H new ATOM 321 N ILE A 100 -0.073 4.687 2.094 1.00 0.00 N ATOM 322 CA ILE A 100 0.696 3.460 2.290 1.00 0.00 C ATOM 323 C ILE A 100 2.137 3.747 1.918 1.00 0.00 C ATOM 324 O ILE A 100 2.423 4.265 0.840 1.00 0.00 O ATOM 325 CB ILE A 100 0.148 2.312 1.443 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.300 2.045 1.854 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.983 1.055 1.699 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.963 1.119 0.837 1.00 0.00 C ATOM 0 H ILE A 100 -0.148 4.989 1.123 1.00 0.00 H new ATOM 0 HA ILE A 100 0.622 3.150 3.332 1.00 0.00 H new ATOM 0 HB ILE A 100 0.194 2.573 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.329 1.592 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.849 2.984 1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.596 0.233 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.021 1.246 1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.927 0.790 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.995 0.932 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.948 1.589 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.420 0.175 0.796 1.00 0.00 H new ATOM 340 N SER A 101 3.034 3.421 2.832 1.00 0.00 N ATOM 341 CA SER A 101 4.461 3.657 2.622 1.00 0.00 C ATOM 342 C SER A 101 5.191 2.335 2.491 1.00 0.00 C ATOM 343 O SER A 101 4.727 1.309 2.989 1.00 0.00 O ATOM 344 CB SER A 101 5.035 4.438 3.805 1.00 0.00 C ATOM 345 OG SER A 101 6.432 4.612 3.618 1.00 0.00 O ATOM 0 H SER A 101 2.805 2.992 3.728 1.00 0.00 H new ATOM 0 HA SER A 101 4.593 4.233 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.544 5.408 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.845 3.903 4.736 1.00 0.00 H new ATOM 0 HG SER A 101 6.803 5.114 4.374 1.00 0.00 H new ATOM 351 N ALA A 102 6.348 2.359 1.841 1.00 0.00 N ATOM 352 CA ALA A 102 7.128 1.143 1.692 1.00 0.00 C ATOM 353 C ALA A 102 7.338 0.551 3.072 1.00 0.00 C ATOM 354 O ALA A 102 7.216 -0.657 3.277 1.00 0.00 O ATOM 355 CB ALA A 102 8.479 1.459 1.051 1.00 0.00 C ATOM 0 H ALA A 102 6.759 3.191 1.417 1.00 0.00 H new ATOM 0 HA ALA A 102 6.603 0.436 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.055 0.540 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.320 1.904 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.026 2.159 1.682 1.00 0.00 H new ATOM 361 N ALA A 103 7.633 1.432 4.022 1.00 0.00 N ATOM 362 CA ALA A 103 7.838 1.024 5.398 1.00 0.00 C ATOM 363 C ALA A 103 6.663 0.176 5.860 1.00 0.00 C ATOM 364 O ALA A 103 6.837 -0.941 6.347 1.00 0.00 O ATOM 365 CB ALA A 103 7.934 2.273 6.277 1.00 0.00 C ATOM 0 H ALA A 103 7.735 2.434 3.859 1.00 0.00 H new ATOM 0 HA ALA A 103 8.756 0.442 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.088 1.977 7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.772 2.887 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.010 2.846 6.197 1.00 0.00 H new ATOM 371 N GLU A 104 5.464 0.718 5.688 1.00 0.00 N ATOM 372 CA GLU A 104 4.259 0.019 6.071 1.00 0.00 C ATOM 373 C GLU A 104 4.100 -1.231 5.218 1.00 0.00 C ATOM 374 O GLU A 104 3.727 -2.292 5.711 1.00 0.00 O ATOM 375 CB GLU A 104 3.067 0.945 5.859 1.00 0.00 C ATOM 376 CG GLU A 104 3.152 2.121 6.831 1.00 0.00 C ATOM 377 CD GLU A 104 1.988 3.073 6.588 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.702 3.341 5.434 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.399 3.517 7.558 1.00 0.00 O ATOM 0 H GLU A 104 5.307 1.642 5.284 1.00 0.00 H new ATOM 0 HA GLU A 104 4.316 -0.274 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.055 1.309 4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.137 0.398 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.129 1.758 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.098 2.647 6.699 1.00 0.00 H new ATOM 386 N LEU A 105 4.392 -1.091 3.931 1.00 0.00 N ATOM 387 CA LEU A 105 4.284 -2.208 3.004 1.00 0.00 C ATOM 388 C LEU A 105 5.238 -3.325 3.428 1.00 0.00 C ATOM 389 O LEU A 105 4.889 -4.503 3.398 1.00 0.00 O ATOM 390 CB LEU A 105 4.626 -1.727 1.583 1.00 0.00 C ATOM 391 CG LEU A 105 3.993 -2.660 0.529 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.536 -2.247 0.264 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.780 -2.568 -0.782 1.00 0.00 C ATOM 0 H LEU A 105 4.704 -0.217 3.507 1.00 0.00 H new ATOM 0 HA LEU A 105 3.265 -2.595 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.264 -0.709 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.708 -1.702 1.452 1.00 0.00 H new ATOM 0 HG LEU A 105 4.019 -3.682 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.099 -2.912 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.965 -2.314 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.510 -1.222 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.330 -3.228 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.758 -1.542 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.813 -2.869 -0.608 1.00 0.00 H new ATOM 405 N ARG A 106 6.437 -2.936 3.843 1.00 0.00 N ATOM 406 CA ARG A 106 7.428 -3.908 4.294 1.00 0.00 C ATOM 407 C ARG A 106 6.949 -4.581 5.579 1.00 0.00 C ATOM 408 O ARG A 106 7.086 -5.792 5.749 1.00 0.00 O ATOM 409 CB ARG A 106 8.773 -3.219 4.542 1.00 0.00 C ATOM 410 CG ARG A 106 9.824 -4.265 4.932 1.00 0.00 C ATOM 411 CD ARG A 106 11.175 -3.581 5.146 1.00 0.00 C ATOM 412 NE ARG A 106 12.187 -4.567 5.514 1.00 0.00 N ATOM 413 CZ ARG A 106 13.353 -4.194 6.034 1.00 0.00 C ATOM 414 NH1 ARG A 106 13.387 -3.318 7.000 1.00 0.00 N ATOM 415 NH2 ARG A 106 14.464 -4.709 5.579 1.00 0.00 N ATOM 0 H ARG A 106 6.746 -1.965 3.877 1.00 0.00 H new ATOM 0 HA ARG A 106 7.556 -4.663 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.091 -2.687 3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.672 -2.477 5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.518 -4.781 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.907 -5.020 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.476 -3.062 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.089 -2.828 5.929 1.00 0.00 H new ATOM 0 HE ARG A 106 11.997 -5.559 5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.519 -2.919 7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.282 -3.032 7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.437 -5.396 4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.359 -4.424 5.977 1.00 0.00 H new ATOM 429 N HIS A 107 6.395 -3.776 6.480 1.00 0.00 N ATOM 430 CA HIS A 107 5.902 -4.281 7.757 1.00 0.00 C ATOM 431 C HIS A 107 4.707 -5.215 7.565 1.00 0.00 C ATOM 432 O HIS A 107 4.648 -6.291 8.159 1.00 0.00 O ATOM 433 CB HIS A 107 5.492 -3.104 8.644 1.00 0.00 C ATOM 434 CG HIS A 107 5.053 -3.613 9.988 1.00 0.00 C ATOM 435 ND1 HIS A 107 3.794 -4.148 10.198 1.00 0.00 N ATOM 436 CD2 HIS A 107 5.694 -3.670 11.200 1.00 0.00 C ATOM 437 CE1 HIS A 107 3.716 -4.503 11.493 1.00 0.00 C ATOM 438 NE2 HIS A 107 4.848 -4.233 12.150 1.00 0.00 N ATOM 0 H HIS A 107 6.276 -2.771 6.350 1.00 0.00 H new ATOM 0 HA HIS A 107 6.703 -4.849 8.231 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.329 -2.415 8.761 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.683 -2.546 8.173 1.00 0.00 H new ATOM 0 HD2 HIS A 107 6.702 -3.330 11.388 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.845 -4.952 11.947 1.00 0.00 H new ATOM 0 HE2 HIS A 107 5.048 -4.403 13.136 1.00 0.00 H new ATOM 446 N VAL A 108 3.760 -4.796 6.731 1.00 0.00 N ATOM 447 CA VAL A 108 2.570 -5.603 6.467 1.00 0.00 C ATOM 448 C VAL A 108 2.961 -6.909 5.776 1.00 0.00 C ATOM 449 O VAL A 108 2.474 -7.986 6.133 1.00 0.00 O ATOM 450 CB VAL A 108 1.587 -4.802 5.604 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.376 -5.673 5.244 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.115 -3.563 6.387 1.00 0.00 C ATOM 0 H VAL A 108 3.791 -3.909 6.229 1.00 0.00 H new ATOM 0 HA VAL A 108 2.085 -5.852 7.411 1.00 0.00 H new ATOM 0 HB VAL A 108 2.086 -4.489 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.317 -5.097 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.710 -6.549 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.126 -5.993 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.416 -2.991 5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.620 -3.880 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.974 -2.940 6.635 1.00 0.00 H new ATOM 462 N MET A 109 3.867 -6.813 4.809 1.00 0.00 N ATOM 463 CA MET A 109 4.343 -7.988 4.098 1.00 0.00 C ATOM 464 C MET A 109 5.087 -8.912 5.064 1.00 0.00 C ATOM 465 O MET A 109 5.022 -10.131 4.949 1.00 0.00 O ATOM 466 CB MET A 109 5.269 -7.550 2.956 1.00 0.00 C ATOM 467 CG MET A 109 4.434 -7.117 1.745 1.00 0.00 C ATOM 468 SD MET A 109 3.040 -6.089 2.276 1.00 0.00 S ATOM 469 CE MET A 109 2.175 -6.045 0.687 1.00 0.00 C ATOM 0 H MET A 109 4.284 -5.934 4.502 1.00 0.00 H new ATOM 0 HA MET A 109 3.496 -8.532 3.680 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.903 -6.726 3.285 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.931 -8.370 2.678 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.058 -6.562 1.045 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.066 -7.996 1.216 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.266 -5.452 0.784 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.822 -5.597 -0.067 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.916 -7.060 0.386 1.00 0.00 H new ATOM 479 N THR A 110 5.785 -8.318 6.024 1.00 0.00 N ATOM 480 CA THR A 110 6.517 -9.097 7.018 1.00 0.00 C ATOM 481 C THR A 110 5.540 -9.884 7.892 1.00 0.00 C ATOM 482 O THR A 110 5.754 -11.062 8.181 1.00 0.00 O ATOM 483 CB THR A 110 7.374 -8.171 7.881 1.00 0.00 C ATOM 484 OG1 THR A 110 8.316 -7.506 7.051 1.00 0.00 O ATOM 485 CG2 THR A 110 8.117 -8.990 8.936 1.00 0.00 C ATOM 0 H THR A 110 5.860 -7.307 6.136 1.00 0.00 H new ATOM 0 HA THR A 110 7.171 -9.802 6.504 1.00 0.00 H new ATOM 0 HB THR A 110 6.736 -7.441 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.016 -6.587 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.727 -8.326 9.549 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.396 -9.508 9.569 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.759 -9.721 8.444 1.00 0.00 H new ATOM 493 N ASN A 111 4.458 -9.219 8.297 1.00 0.00 N ATOM 494 CA ASN A 111 3.436 -9.851 9.127 1.00 0.00 C ATOM 495 C ASN A 111 2.897 -11.073 8.400 1.00 0.00 C ATOM 496 O ASN A 111 2.587 -12.103 9.001 1.00 0.00 O ATOM 497 CB ASN A 111 2.281 -8.870 9.354 1.00 0.00 C ATOM 498 CG ASN A 111 2.716 -7.717 10.253 1.00 0.00 C ATOM 499 OD1 ASN A 111 2.155 -6.625 10.171 1.00 0.00 O ATOM 500 ND2 ASN A 111 3.682 -7.891 11.112 1.00 0.00 N ATOM 0 H ASN A 111 4.268 -8.244 8.064 1.00 0.00 H new ATOM 0 HA ASN A 111 3.871 -10.138 10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.936 -8.480 8.396 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.439 -9.392 9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.972 -7.122 11.716 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.147 -8.796 11.180 1.00 0.00 H new ATOM 507 N LEU A 112 2.791 -10.919 7.092 1.00 0.00 N ATOM 508 CA LEU A 112 2.289 -11.959 6.207 1.00 0.00 C ATOM 509 C LEU A 112 3.127 -13.232 6.354 1.00 0.00 C ATOM 510 O LEU A 112 2.606 -14.349 6.357 1.00 0.00 O ATOM 511 CB LEU A 112 2.441 -11.419 4.767 1.00 0.00 C ATOM 512 CG LEU A 112 1.393 -11.974 3.779 1.00 0.00 C ATOM 513 CD1 LEU A 112 1.130 -13.468 3.990 1.00 0.00 C ATOM 514 CD2 LEU A 112 0.087 -11.184 3.915 1.00 0.00 C ATOM 0 H LEU A 112 3.053 -10.060 6.608 1.00 0.00 H new ATOM 0 HA LEU A 112 1.253 -12.202 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.367 -10.332 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.438 -11.664 4.400 1.00 0.00 H new ATOM 0 HG LEU A 112 1.794 -11.857 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.386 -13.811 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.056 -14.024 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.760 -13.633 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.651 -11.578 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.291 -11.278 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.273 -10.133 3.692 1.00 0.00 H new ATOM 526 N GLY A 113 4.438 -13.042 6.428 1.00 0.00 N ATOM 527 CA GLY A 113 5.379 -14.155 6.511 1.00 0.00 C ATOM 528 C GLY A 113 6.043 -14.303 5.154 1.00 0.00 C ATOM 529 O GLY A 113 6.613 -15.342 4.821 1.00 0.00 O ATOM 0 H GLY A 113 4.878 -12.122 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.125 -13.968 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.861 -15.074 6.785 1.00 0.00 H new ATOM 533 N GLU A 114 5.985 -13.210 4.393 1.00 0.00 N ATOM 534 CA GLU A 114 6.599 -13.138 3.075 1.00 0.00 C ATOM 535 C GLU A 114 7.889 -12.342 3.208 1.00 0.00 C ATOM 536 O GLU A 114 7.929 -11.359 3.949 1.00 0.00 O ATOM 537 CB GLU A 114 5.657 -12.432 2.093 1.00 0.00 C ATOM 538 CG GLU A 114 4.397 -13.274 1.881 1.00 0.00 C ATOM 539 CD GLU A 114 3.444 -12.560 0.927 1.00 0.00 C ATOM 540 OE1 GLU A 114 3.807 -11.502 0.439 1.00 0.00 O ATOM 541 OE2 GLU A 114 2.365 -13.081 0.698 1.00 0.00 O ATOM 0 H GLU A 114 5.511 -12.353 4.676 1.00 0.00 H new ATOM 0 HA GLU A 114 6.801 -14.140 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.387 -11.449 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.163 -12.273 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.666 -14.250 1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.903 -13.450 2.836 1.00 0.00 H new ATOM 548 N LYS A 115 8.947 -12.764 2.519 1.00 0.00 N ATOM 549 CA LYS A 115 10.235 -12.065 2.608 1.00 0.00 C ATOM 550 C LYS A 115 10.610 -11.425 1.279 1.00 0.00 C ATOM 551 O LYS A 115 11.282 -12.036 0.448 1.00 0.00 O ATOM 552 CB LYS A 115 11.326 -13.052 3.026 1.00 0.00 C ATOM 553 CG LYS A 115 11.070 -13.516 4.463 1.00 0.00 C ATOM 554 CD LYS A 115 12.171 -14.490 4.887 1.00 0.00 C ATOM 555 CE LYS A 115 11.928 -14.948 6.327 1.00 0.00 C ATOM 556 NZ LYS A 115 13.001 -15.902 6.730 1.00 0.00 N ATOM 0 H LYS A 115 8.944 -13.575 1.900 1.00 0.00 H new ATOM 0 HA LYS A 115 10.142 -11.275 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.334 -13.908 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.306 -12.580 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.049 -12.658 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.095 -13.999 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.185 -15.351 4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.146 -14.009 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 115 11.919 -14.089 6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.952 -15.426 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.838 -16.215 7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.988 -16.727 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.926 -15.431 6.667 1.00 0.00 H new ATOM 570 N LEU A 116 10.180 -10.178 1.095 1.00 0.00 N ATOM 571 CA LEU A 116 10.483 -9.439 -0.126 1.00 0.00 C ATOM 572 C LEU A 116 11.753 -8.624 0.062 1.00 0.00 C ATOM 573 O LEU A 116 12.082 -8.210 1.174 1.00 0.00 O ATOM 574 CB LEU A 116 9.342 -8.478 -0.470 1.00 0.00 C ATOM 575 CG LEU A 116 8.147 -9.247 -1.028 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.573 -10.176 0.049 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.082 -8.239 -1.469 1.00 0.00 C ATOM 0 H LEU A 116 9.622 -9.661 1.775 1.00 0.00 H new ATOM 0 HA LEU A 116 10.612 -10.160 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.043 -7.925 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.684 -7.745 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 116 8.460 -9.853 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.721 -10.721 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.339 -10.884 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.250 -9.584 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.220 -8.772 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.771 -7.640 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.495 -7.586 -2.238 1.00 0.00 H new ATOM 589 N THR A 117 12.452 -8.376 -1.037 1.00 0.00 N ATOM 590 CA THR A 117 13.674 -7.586 -0.995 1.00 0.00 C ATOM 591 C THR A 117 13.338 -6.111 -1.163 1.00 0.00 C ATOM 592 O THR A 117 12.200 -5.755 -1.465 1.00 0.00 O ATOM 593 CB THR A 117 14.622 -8.032 -2.105 1.00 0.00 C ATOM 594 OG1 THR A 117 15.869 -7.366 -1.959 1.00 0.00 O ATOM 595 CG2 THR A 117 14.018 -7.695 -3.459 1.00 0.00 C ATOM 0 H THR A 117 12.195 -8.709 -1.966 1.00 0.00 H new ATOM 0 HA THR A 117 14.162 -7.735 -0.032 1.00 0.00 H new ATOM 0 HB THR A 117 14.776 -9.109 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.479 -7.653 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.697 -8.014 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.064 -8.210 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.860 -6.619 -3.529 1.00 0.00 H new ATOM 603 N ASP A 118 14.333 -5.259 -0.972 1.00 0.00 N ATOM 604 CA ASP A 118 14.129 -3.827 -1.111 1.00 0.00 C ATOM 605 C ASP A 118 13.732 -3.491 -2.546 1.00 0.00 C ATOM 606 O ASP A 118 12.882 -2.632 -2.781 1.00 0.00 O ATOM 607 CB ASP A 118 15.421 -3.093 -0.747 1.00 0.00 C ATOM 608 CG ASP A 118 15.223 -1.586 -0.876 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.150 -1.184 -1.292 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.146 -0.859 -0.551 1.00 0.00 O ATOM 0 H ASP A 118 15.283 -5.532 -0.722 1.00 0.00 H new ATOM 0 HA ASP A 118 13.329 -3.512 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.715 -3.343 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.230 -3.419 -1.401 1.00 0.00 H new ATOM 615 N GLU A 119 14.378 -4.157 -3.499 1.00 0.00 N ATOM 616 CA GLU A 119 14.124 -3.915 -4.915 1.00 0.00 C ATOM 617 C GLU A 119 12.687 -4.259 -5.318 1.00 0.00 C ATOM 618 O GLU A 119 12.049 -3.492 -6.040 1.00 0.00 O ATOM 619 CB GLU A 119 15.101 -4.739 -5.748 1.00 0.00 C ATOM 620 CG GLU A 119 16.517 -4.203 -5.538 1.00 0.00 C ATOM 621 CD GLU A 119 17.515 -5.058 -6.308 1.00 0.00 C ATOM 622 OE1 GLU A 119 17.077 -5.931 -7.038 1.00 0.00 O ATOM 623 OE2 GLU A 119 18.703 -4.826 -6.159 1.00 0.00 O ATOM 0 H GLU A 119 15.083 -4.871 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 119 14.266 -2.850 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.050 -5.788 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.832 -4.687 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.577 -3.168 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.763 -4.208 -4.476 1.00 0.00 H new ATOM 630 N GLU A 120 12.163 -5.386 -4.840 1.00 0.00 N ATOM 631 CA GLU A 120 10.790 -5.751 -5.166 1.00 0.00 C ATOM 632 C GLU A 120 9.867 -4.744 -4.520 1.00 0.00 C ATOM 633 O GLU A 120 8.917 -4.255 -5.134 1.00 0.00 O ATOM 634 CB GLU A 120 10.461 -7.150 -4.645 1.00 0.00 C ATOM 635 CG GLU A 120 11.141 -8.190 -5.531 1.00 0.00 C ATOM 636 CD GLU A 120 10.456 -8.248 -6.893 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.248 -8.420 -6.920 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.148 -8.117 -7.888 1.00 0.00 O ATOM 0 H GLU A 120 12.656 -6.047 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 120 10.664 -5.753 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.800 -7.256 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.382 -7.306 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.195 -7.940 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.100 -9.169 -5.053 1.00 0.00 H new ATOM 645 N VAL A 121 10.163 -4.443 -3.263 1.00 0.00 N ATOM 646 CA VAL A 121 9.371 -3.492 -2.504 1.00 0.00 C ATOM 647 C VAL A 121 9.379 -2.129 -3.194 1.00 0.00 C ATOM 648 O VAL A 121 8.333 -1.536 -3.426 1.00 0.00 O ATOM 649 CB VAL A 121 9.981 -3.375 -1.101 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.395 -2.176 -0.352 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.696 -4.653 -0.314 1.00 0.00 C ATOM 0 H VAL A 121 10.947 -4.845 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 121 8.338 -3.833 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 121 11.057 -3.231 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.842 -2.113 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.609 -1.261 -0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.316 -2.298 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.129 -4.571 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.619 -4.797 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.137 -5.505 -0.832 1.00 0.00 H new ATOM 661 N ASP A 122 10.566 -1.648 -3.532 1.00 0.00 N ATOM 662 CA ASP A 122 10.697 -0.360 -4.202 1.00 0.00 C ATOM 663 C ASP A 122 10.025 -0.386 -5.575 1.00 0.00 C ATOM 664 O ASP A 122 9.261 0.515 -5.917 1.00 0.00 O ATOM 665 CB ASP A 122 12.175 -0.007 -4.358 1.00 0.00 C ATOM 666 CG ASP A 122 12.320 1.403 -4.915 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.888 2.330 -4.248 1.00 0.00 O ATOM 668 OD2 ASP A 122 12.859 1.538 -6.001 1.00 0.00 O ATOM 0 H ASP A 122 11.449 -2.126 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 122 10.202 0.396 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.678 -0.079 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.659 -0.721 -5.024 1.00 0.00 H new ATOM 673 N GLU A 123 10.325 -1.418 -6.361 1.00 0.00 N ATOM 674 CA GLU A 123 9.754 -1.539 -7.701 1.00 0.00 C ATOM 675 C GLU A 123 8.233 -1.476 -7.653 1.00 0.00 C ATOM 676 O GLU A 123 7.608 -0.790 -8.458 1.00 0.00 O ATOM 677 CB GLU A 123 10.197 -2.863 -8.338 1.00 0.00 C ATOM 678 CG GLU A 123 11.641 -2.736 -8.828 1.00 0.00 C ATOM 679 CD GLU A 123 11.690 -1.868 -10.081 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.704 -1.842 -10.801 1.00 0.00 O ATOM 681 OE2 GLU A 123 12.716 -1.250 -10.311 1.00 0.00 O ATOM 0 H GLU A 123 10.954 -2.176 -6.097 1.00 0.00 H new ATOM 0 HA GLU A 123 10.115 -0.705 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.118 -3.672 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.540 -3.116 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.262 -2.297 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.049 -3.723 -9.043 1.00 0.00 H new ATOM 688 N MET A 124 7.643 -2.180 -6.698 1.00 0.00 N ATOM 689 CA MET A 124 6.195 -2.182 -6.545 1.00 0.00 C ATOM 690 C MET A 124 5.699 -0.800 -6.140 1.00 0.00 C ATOM 691 O MET A 124 4.701 -0.298 -6.658 1.00 0.00 O ATOM 692 CB MET A 124 5.817 -3.206 -5.474 1.00 0.00 C ATOM 693 CG MET A 124 4.327 -3.115 -5.155 1.00 0.00 C ATOM 694 SD MET A 124 3.806 -4.641 -4.332 1.00 0.00 S ATOM 695 CE MET A 124 2.150 -4.097 -3.852 1.00 0.00 C ATOM 0 H MET A 124 8.142 -2.755 -6.020 1.00 0.00 H new ATOM 0 HA MET A 124 5.730 -2.446 -7.495 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.061 -4.211 -5.820 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.401 -3.029 -4.570 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.131 -2.256 -4.514 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.754 -2.967 -6.071 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.643 -4.902 -3.320 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.227 -3.225 -3.202 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.580 -3.836 -4.744 1.00 0.00 H new ATOM 705 N ILE A 125 6.424 -0.198 -5.213 1.00 0.00 N ATOM 706 CA ILE A 125 6.101 1.135 -4.712 1.00 0.00 C ATOM 707 C ILE A 125 6.275 2.204 -5.798 1.00 0.00 C ATOM 708 O ILE A 125 5.417 3.071 -5.960 1.00 0.00 O ATOM 709 CB ILE A 125 6.992 1.416 -3.492 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.517 0.555 -2.295 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.996 2.901 -3.123 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.112 0.964 -1.820 1.00 0.00 C ATOM 0 H ILE A 125 7.251 -0.614 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 125 5.052 1.173 -4.417 1.00 0.00 H new ATOM 0 HB ILE A 125 8.017 1.147 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.512 -0.496 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.223 0.657 -1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.637 3.059 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.373 3.484 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.981 3.220 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.815 0.337 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.123 2.008 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.401 0.837 -2.636 1.00 0.00 H new ATOM 724 N ARG A 126 7.371 2.135 -6.541 1.00 0.00 N ATOM 725 CA ARG A 126 7.617 3.105 -7.606 1.00 0.00 C ATOM 726 C ARG A 126 6.622 2.897 -8.746 1.00 0.00 C ATOM 727 O ARG A 126 6.196 3.848 -9.402 1.00 0.00 O ATOM 728 CB ARG A 126 9.047 2.973 -8.139 1.00 0.00 C ATOM 729 CG ARG A 126 9.309 4.071 -9.175 1.00 0.00 C ATOM 730 CD ARG A 126 10.741 3.952 -9.701 1.00 0.00 C ATOM 731 NE ARG A 126 11.004 5.001 -10.685 1.00 0.00 N ATOM 732 CZ ARG A 126 10.776 4.808 -11.984 1.00 0.00 C ATOM 733 NH1 ARG A 126 9.597 4.429 -12.393 1.00 0.00 N ATOM 734 NH2 ARG A 126 11.734 5.001 -12.849 1.00 0.00 N ATOM 0 H ARG A 126 8.098 1.428 -6.431 1.00 0.00 H new ATOM 0 HA ARG A 126 7.489 4.106 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.761 3.054 -7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.189 1.991 -8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.600 3.984 -9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.157 5.052 -8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.448 4.032 -8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.890 2.972 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 126 11.370 5.900 -10.371 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.847 4.280 -11.718 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.425 4.282 -13.388 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.656 5.299 -12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.561 4.854 -13.843 1.00 0.00 H new ATOM 748 N GLU A 127 6.263 1.639 -8.966 1.00 0.00 N ATOM 749 CA GLU A 127 5.318 1.283 -10.020 1.00 0.00 C ATOM 750 C GLU A 127 3.907 1.756 -9.664 1.00 0.00 C ATOM 751 O GLU A 127 3.168 2.239 -10.520 1.00 0.00 O ATOM 752 CB GLU A 127 5.331 -0.236 -10.221 1.00 0.00 C ATOM 753 CG GLU A 127 4.447 -0.619 -11.409 1.00 0.00 C ATOM 754 CD GLU A 127 5.055 -0.086 -12.701 1.00 0.00 C ATOM 755 OE1 GLU A 127 6.239 0.207 -12.699 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.327 0.025 -13.673 1.00 0.00 O ATOM 0 H GLU A 127 6.612 0.846 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 127 5.617 1.775 -10.945 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.351 -0.579 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.975 -0.733 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.347 -1.703 -11.464 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.445 -0.212 -11.274 1.00 0.00 H new ATOM 763 N ALA A 128 3.548 1.618 -8.390 1.00 0.00 N ATOM 764 CA ALA A 128 2.225 2.040 -7.931 1.00 0.00 C ATOM 765 C ALA A 128 2.203 3.540 -7.685 1.00 0.00 C ATOM 766 O ALA A 128 1.138 4.134 -7.517 1.00 0.00 O ATOM 767 CB ALA A 128 1.826 1.298 -6.652 1.00 0.00 C ATOM 0 H ALA A 128 4.145 1.222 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 128 1.505 1.796 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.838 1.630 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.803 0.226 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.552 1.510 -5.867 1.00 0.00 H new ATOM 773 N ASP A 129 3.383 4.162 -7.674 1.00 0.00 N ATOM 774 CA ASP A 129 3.480 5.604 -7.459 1.00 0.00 C ATOM 775 C ASP A 129 3.605 6.351 -8.788 1.00 0.00 C ATOM 776 O ASP A 129 4.593 6.200 -9.507 1.00 0.00 O ATOM 777 CB ASP A 129 4.679 5.927 -6.551 1.00 0.00 C ATOM 778 CG ASP A 129 4.336 5.598 -5.100 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.312 6.077 -4.635 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.096 4.879 -4.477 1.00 0.00 O ATOM 0 H ASP A 129 4.278 3.693 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 129 2.565 5.936 -6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.550 5.353 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.941 6.981 -6.642 1.00 0.00 H new ATOM 785 N VAL A 130 2.581 7.168 -9.091 1.00 0.00 N ATOM 786 CA VAL A 130 2.544 7.964 -10.328 1.00 0.00 C ATOM 787 C VAL A 130 2.821 9.408 -10.026 1.00 0.00 C ATOM 788 O VAL A 130 3.283 10.154 -10.885 1.00 0.00 O ATOM 789 CB VAL A 130 1.141 8.042 -11.005 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.275 8.802 -12.357 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.510 6.664 -11.238 1.00 0.00 C ATOM 0 H VAL A 130 1.765 7.294 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 130 3.272 7.467 -10.969 1.00 0.00 H new ATOM 0 HB VAL A 130 0.476 8.575 -10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.299 8.862 -12.839 1.00 0.00 H new ATOM 0 HG12 VAL A 130 1.652 9.808 -12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 130 1.968 8.268 -13.007 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -0.464 6.785 -11.711 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.157 6.072 -11.886 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.388 6.153 -10.283 1.00 0.00 H new ATOM 801 N ASP A 131 2.517 9.801 -8.805 1.00 0.00 N ATOM 802 CA ASP A 131 2.695 11.175 -8.392 1.00 0.00 C ATOM 803 C ASP A 131 4.078 11.320 -7.828 1.00 0.00 C ATOM 804 O ASP A 131 4.519 12.410 -7.466 1.00 0.00 O ATOM 805 CB ASP A 131 1.656 11.514 -7.321 1.00 0.00 C ATOM 806 CG ASP A 131 0.250 11.169 -7.815 1.00 0.00 C ATOM 807 OD1 ASP A 131 -0.262 11.895 -8.649 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.296 10.183 -7.340 1.00 0.00 O ATOM 0 H ASP A 131 2.145 9.185 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 131 2.567 11.851 -9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.873 10.962 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.712 12.574 -7.074 1.00 0.00 H new ATOM 813 N GLY A 132 4.757 10.189 -7.768 1.00 0.00 N ATOM 814 CA GLY A 132 6.105 10.152 -7.255 1.00 0.00 C ATOM 815 C GLY A 132 6.160 10.593 -5.788 1.00 0.00 C ATOM 816 O GLY A 132 7.213 10.536 -5.154 1.00 0.00 O ATOM 0 H GLY A 132 4.392 9.285 -8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.503 9.141 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.742 10.802 -7.855 1.00 0.00 H new ATOM 820 N ASP A 133 5.022 11.048 -5.259 1.00 0.00 N ATOM 821 CA ASP A 133 4.963 11.502 -3.870 1.00 0.00 C ATOM 822 C ASP A 133 5.723 10.544 -2.957 1.00 0.00 C ATOM 823 O ASP A 133 6.172 10.925 -1.877 1.00 0.00 O ATOM 824 CB ASP A 133 3.508 11.609 -3.400 1.00 0.00 C ATOM 825 CG ASP A 133 2.810 10.261 -3.539 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.414 9.357 -4.091 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.680 10.153 -3.091 1.00 0.00 O ATOM 0 H ASP A 133 4.139 11.111 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 133 5.429 12.486 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.477 11.938 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.982 12.361 -3.988 1.00 0.00 H new ATOM 832 N GLY A 134 5.866 9.296 -3.400 1.00 0.00 N ATOM 833 CA GLY A 134 6.578 8.283 -2.619 1.00 0.00 C ATOM 834 C GLY A 134 5.614 7.504 -1.736 1.00 0.00 C ATOM 835 O GLY A 134 6.019 6.634 -0.966 1.00 0.00 O ATOM 0 H GLY A 134 5.500 8.962 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.097 7.599 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.338 8.762 -2.001 1.00 0.00 H new ATOM 839 N GLN A 135 4.331 7.817 -1.868 1.00 0.00 N ATOM 840 CA GLN A 135 3.287 7.144 -1.101 1.00 0.00 C ATOM 841 C GLN A 135 2.107 6.845 -2.003 1.00 0.00 C ATOM 842 O GLN A 135 1.894 7.525 -3.009 1.00 0.00 O ATOM 843 CB GLN A 135 2.814 8.024 0.056 1.00 0.00 C ATOM 844 CG GLN A 135 3.868 8.057 1.154 1.00 0.00 C ATOM 845 CD GLN A 135 3.503 9.100 2.207 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.763 8.803 3.144 1.00 0.00 O ATOM 847 NE2 GLN A 135 3.984 10.309 2.109 1.00 0.00 N ATOM 0 H GLN A 135 3.986 8.537 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 135 3.699 6.218 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.619 9.035 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.875 7.640 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.950 7.074 1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.843 8.289 0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.597 10.552 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.747 11.011 2.810 1.00 0.00 H new ATOM 856 N ILE A 136 1.330 5.833 -1.635 1.00 0.00 N ATOM 857 CA ILE A 136 0.157 5.460 -2.412 1.00 0.00 C ATOM 858 C ILE A 136 -1.080 5.851 -1.635 1.00 0.00 C ATOM 859 O ILE A 136 -1.351 5.307 -0.563 1.00 0.00 O ATOM 860 CB ILE A 136 0.168 3.945 -2.693 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.489 3.561 -3.402 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.010 3.576 -3.599 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.597 3.268 -2.383 1.00 0.00 C ATOM 0 H ILE A 136 1.491 5.259 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 136 0.163 5.979 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 136 0.084 3.407 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.327 2.685 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.801 4.372 -4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.997 2.504 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.945 3.844 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.928 4.117 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.514 3.001 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.774 4.154 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.292 2.441 -1.742 1.00 0.00 H new ATOM 875 N ASN A 137 -1.850 6.777 -2.189 1.00 0.00 N ATOM 876 CA ASN A 137 -3.075 7.204 -1.544 1.00 0.00 C ATOM 877 C ASN A 137 -4.137 6.172 -1.875 1.00 0.00 C ATOM 878 O ASN A 137 -3.916 5.313 -2.729 1.00 0.00 O ATOM 879 CB ASN A 137 -3.478 8.596 -2.041 1.00 0.00 C ATOM 880 CG ASN A 137 -4.694 9.100 -1.271 1.00 0.00 C ATOM 881 OD1 ASN A 137 -5.803 8.605 -1.467 1.00 0.00 O ATOM 882 ND2 ASN A 137 -4.553 10.066 -0.401 1.00 0.00 N ATOM 0 H ASN A 137 -1.648 7.241 -3.075 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.947 7.276 -0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.646 9.289 -1.916 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.704 8.558 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.363 10.409 0.115 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.633 10.476 -0.239 1.00 0.00 H new ATOM 889 N TYR A 138 -5.271 6.216 -1.203 1.00 0.00 N ATOM 890 CA TYR A 138 -6.303 5.228 -1.470 1.00 0.00 C ATOM 891 C TYR A 138 -6.664 5.191 -2.956 1.00 0.00 C ATOM 892 O TYR A 138 -6.485 4.167 -3.613 1.00 0.00 O ATOM 893 CB TYR A 138 -7.549 5.527 -0.643 1.00 0.00 C ATOM 894 CG TYR A 138 -8.613 4.523 -1.002 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.426 3.181 -0.674 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.771 4.925 -1.676 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.392 2.235 -1.012 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.742 3.977 -2.019 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.554 2.631 -1.686 1.00 0.00 C ATOM 900 OH TYR A 138 -11.511 1.693 -2.022 1.00 0.00 O ATOM 0 H TYR A 138 -5.500 6.905 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.910 4.251 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.320 5.472 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.901 6.539 -0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.530 2.873 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.915 5.964 -1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.245 1.197 -0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.636 4.284 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.935 1.947 -2.869 1.00 0.00 H new ATOM 910 N GLU A 139 -7.168 6.306 -3.478 1.00 0.00 N ATOM 911 CA GLU A 139 -7.561 6.375 -4.887 1.00 0.00 C ATOM 912 C GLU A 139 -6.555 5.646 -5.777 1.00 0.00 C ATOM 913 O GLU A 139 -6.927 4.876 -6.658 1.00 0.00 O ATOM 914 CB GLU A 139 -7.683 7.839 -5.324 1.00 0.00 C ATOM 915 CG GLU A 139 -6.457 8.627 -4.851 1.00 0.00 C ATOM 916 CD GLU A 139 -6.597 10.094 -5.237 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.685 10.624 -5.091 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.612 10.668 -5.671 1.00 0.00 O ATOM 0 H GLU A 139 -7.314 7.169 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.528 5.883 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.768 7.898 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.591 8.277 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.351 8.536 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.553 8.210 -5.296 1.00 0.00 H new ATOM 925 N GLU A 140 -5.281 5.892 -5.549 1.00 0.00 N ATOM 926 CA GLU A 140 -4.250 5.245 -6.341 1.00 0.00 C ATOM 927 C GLU A 140 -4.201 3.760 -6.015 1.00 0.00 C ATOM 928 O GLU A 140 -4.048 2.925 -6.903 1.00 0.00 O ATOM 929 CB GLU A 140 -2.907 5.896 -6.046 1.00 0.00 C ATOM 930 CG GLU A 140 -1.834 5.310 -6.961 1.00 0.00 C ATOM 931 CD GLU A 140 -0.526 6.072 -6.777 1.00 0.00 C ATOM 932 OE1 GLU A 140 -0.156 6.304 -5.641 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.080 6.418 -7.776 1.00 0.00 O ATOM 0 H GLU A 140 -4.935 6.528 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.478 5.359 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.975 6.974 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.636 5.734 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.686 4.254 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.157 5.370 -8.000 1.00 0.00 H new ATOM 940 N PHE A 141 -4.364 3.448 -4.737 1.00 0.00 N ATOM 941 CA PHE A 141 -4.358 2.060 -4.296 1.00 0.00 C ATOM 942 C PHE A 141 -5.479 1.310 -4.996 1.00 0.00 C ATOM 943 O PHE A 141 -5.412 0.102 -5.193 1.00 0.00 O ATOM 944 CB PHE A 141 -4.549 1.979 -2.780 1.00 0.00 C ATOM 945 CG PHE A 141 -4.100 0.624 -2.281 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.734 0.337 -2.210 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.038 -0.342 -1.874 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.301 -0.904 -1.741 1.00 0.00 C ATOM 949 CE2 PHE A 141 -4.602 -1.579 -1.402 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.233 -1.861 -1.335 1.00 0.00 C ATOM 0 H PHE A 141 -4.501 4.131 -3.992 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.398 1.610 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.976 2.766 -2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.597 2.142 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.011 1.078 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.095 -0.126 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.245 -1.124 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.322 -2.321 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.897 -2.820 -0.969 1.00 0.00 H new ATOM 960 N VAL A 142 -6.503 2.054 -5.379 1.00 0.00 N ATOM 961 CA VAL A 142 -7.635 1.482 -6.084 1.00 0.00 C ATOM 962 C VAL A 142 -7.247 1.219 -7.537 1.00 0.00 C ATOM 963 O VAL A 142 -7.623 0.201 -8.119 1.00 0.00 O ATOM 964 CB VAL A 142 -8.840 2.424 -5.999 1.00 0.00 C ATOM 965 CG1 VAL A 142 -10.020 1.842 -6.775 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.234 2.615 -4.527 1.00 0.00 C ATOM 0 H VAL A 142 -6.573 3.058 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.915 0.536 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.572 3.386 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.870 2.521 -6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.740 1.714 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.293 0.875 -6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.091 3.285 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.495 1.650 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.396 3.046 -3.979 1.00 0.00 H new ATOM 976 N LYS A 143 -6.491 2.152 -8.117 1.00 0.00 N ATOM 977 CA LYS A 143 -6.058 2.018 -9.505 1.00 0.00 C ATOM 978 C LYS A 143 -5.229 0.743 -9.703 1.00 0.00 C ATOM 979 O LYS A 143 -5.461 -0.009 -10.651 1.00 0.00 O ATOM 980 CB LYS A 143 -5.209 3.233 -9.905 1.00 0.00 C ATOM 981 CG LYS A 143 -6.073 4.500 -9.923 1.00 0.00 C ATOM 982 CD LYS A 143 -5.218 5.702 -10.344 1.00 0.00 C ATOM 983 CE LYS A 143 -6.071 6.975 -10.326 1.00 0.00 C ATOM 984 NZ LYS A 143 -5.246 8.137 -10.770 1.00 0.00 N ATOM 0 H LYS A 143 -6.169 3.000 -7.651 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.948 1.960 -10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.384 3.356 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.769 3.070 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -6.906 4.374 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -6.501 4.674 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -4.370 5.812 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -4.811 5.539 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -6.933 6.856 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -6.457 7.152 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -5.826 9.000 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -4.437 8.254 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -4.899 7.968 -11.736 1.00 0.00 H new ATOM 998 N VAL A 144 -4.267 0.497 -8.807 1.00 0.00 N ATOM 999 CA VAL A 144 -3.426 -0.699 -8.911 1.00 0.00 C ATOM 1000 C VAL A 144 -4.182 -1.963 -8.484 1.00 0.00 C ATOM 1001 O VAL A 144 -4.073 -3.007 -9.129 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.175 -0.530 -8.028 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.082 0.203 -8.811 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -2.543 0.282 -6.771 1.00 0.00 C ATOM 0 H VAL A 144 -4.054 1.101 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.138 -0.814 -9.956 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.805 -1.512 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.200 0.320 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.821 -0.374 -9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -1.446 1.186 -9.111 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -1.659 0.403 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -2.915 1.263 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -3.316 -0.245 -6.211 1.00 0.00 H new ATOM 1014 N MET A 145 -4.921 -1.869 -7.383 1.00 0.00 N ATOM 1015 CA MET A 145 -5.661 -3.022 -6.871 1.00 0.00 C ATOM 1016 C MET A 145 -6.685 -3.496 -7.896 1.00 0.00 C ATOM 1017 O MET A 145 -6.803 -4.693 -8.160 1.00 0.00 O ATOM 1018 CB MET A 145 -6.370 -2.641 -5.562 1.00 0.00 C ATOM 1019 CG MET A 145 -5.365 -2.607 -4.414 1.00 0.00 C ATOM 1020 SD MET A 145 -4.823 -4.300 -4.041 1.00 0.00 S ATOM 1021 CE MET A 145 -3.043 -4.054 -4.269 1.00 0.00 C ATOM 0 H MET A 145 -5.024 -1.017 -6.832 1.00 0.00 H new ATOM 0 HA MET A 145 -4.959 -3.834 -6.680 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.847 -1.667 -5.668 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.159 -3.360 -5.344 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.508 -1.990 -4.684 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.818 -2.155 -3.532 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.496 -4.805 -3.700 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.795 -4.148 -5.326 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.765 -3.060 -3.919 1.00 0.00 H new ATOM 1031 N MET A 146 -7.416 -2.555 -8.480 1.00 0.00 N ATOM 1032 CA MET A 146 -8.417 -2.900 -9.481 1.00 0.00 C ATOM 1033 C MET A 146 -7.755 -3.433 -10.751 1.00 0.00 C ATOM 1034 O MET A 146 -8.151 -4.473 -11.278 1.00 0.00 O ATOM 1035 CB MET A 146 -9.259 -1.667 -9.814 1.00 0.00 C ATOM 1036 CG MET A 146 -10.119 -1.282 -8.605 1.00 0.00 C ATOM 1037 SD MET A 146 -11.353 -2.571 -8.287 1.00 0.00 S ATOM 1038 CE MET A 146 -12.348 -2.332 -9.781 1.00 0.00 C ATOM 0 H MET A 146 -7.336 -1.558 -8.281 1.00 0.00 H new ATOM 0 HA MET A 146 -9.059 -3.681 -9.074 1.00 0.00 H new ATOM 0 HB2 MET A 146 -8.610 -0.836 -10.089 1.00 0.00 H new ATOM 0 HB3 MET A 146 -9.896 -1.872 -10.674 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.487 -1.147 -7.727 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.615 -0.329 -8.790 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.378 -2.631 -9.584 1.00 0.00 H new ATOM 0 HE2 MET A 146 -12.324 -1.281 -10.070 1.00 0.00 H new ATOM 0 HE3 MET A 146 -11.942 -2.940 -10.590 1.00 0.00 H new