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 94 LYS NZ :NH3+ -162:sc= 0.0813 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -0.954 X(o=-0.87,f=-0.4) USER MOD Single : A 81 SER OG : rot 33:sc= 0.0943 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -2.36! C(o=-2.4!,f=-6.7!) USER MOD Single : A 97 ASN : amide:sc= -0.427 K(o=-0.43,f=-2.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 90:sc= 0.853 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 115 LYS NZ :NH3+ -151:sc= -0.14 (180deg=-0.745) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -5.81! C(o=-5.8!,f=-11!) USER MOD Single : A 137 ASN : amide:sc= 0.159 K(o=0.16,f=-7.3!) USER MOD Single : A 138 TYR OH : rot -147:sc= 0.375 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -106:sc= -0.0253 (180deg=-0.096) USER MOD Single : A 146 MET CE :methyl -178:sc= 0 (180deg=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -17.860 -5.007 -2.235 1.00 0.00 N ATOM 16 CA SER A 81 -16.485 -5.298 -2.624 1.00 0.00 C ATOM 17 C SER A 81 -15.592 -4.103 -2.309 1.00 0.00 C ATOM 18 O SER A 81 -14.507 -4.259 -1.749 1.00 0.00 O ATOM 19 CB SER A 81 -16.419 -5.603 -4.122 1.00 0.00 C ATOM 20 OG SER A 81 -17.225 -6.741 -4.407 1.00 0.00 O ATOM 0 HA SER A 81 -16.137 -6.166 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.767 -4.744 -4.695 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.388 -5.789 -4.422 1.00 0.00 H new ATOM 0 HG SER A 81 -17.997 -6.755 -3.803 1.00 0.00 H new ATOM 26 N GLU A 82 -16.052 -2.911 -2.678 1.00 0.00 N ATOM 27 CA GLU A 82 -15.284 -1.698 -2.434 1.00 0.00 C ATOM 28 C GLU A 82 -15.004 -1.540 -0.943 1.00 0.00 C ATOM 29 O GLU A 82 -13.913 -1.127 -0.549 1.00 0.00 O ATOM 30 CB GLU A 82 -16.064 -0.483 -2.944 1.00 0.00 C ATOM 31 CG GLU A 82 -15.176 0.764 -2.902 1.00 0.00 C ATOM 32 CD GLU A 82 -14.138 0.706 -4.016 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.224 -0.198 -4.832 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.274 1.566 -4.041 1.00 0.00 O ATOM 0 H GLU A 82 -16.947 -2.761 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.335 -1.769 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.406 -0.662 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.953 -0.328 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.788 1.659 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.679 0.833 -1.934 1.00 0.00 H new ATOM 41 N GLU A 83 -15.990 -1.872 -0.113 1.00 0.00 N ATOM 42 CA GLU A 83 -15.829 -1.763 1.330 1.00 0.00 C ATOM 43 C GLU A 83 -14.721 -2.704 1.804 1.00 0.00 C ATOM 44 O GLU A 83 -13.916 -2.356 2.671 1.00 0.00 O ATOM 45 CB GLU A 83 -17.151 -2.111 2.018 1.00 0.00 C ATOM 46 CG GLU A 83 -17.011 -1.939 3.529 1.00 0.00 C ATOM 47 CD GLU A 83 -18.356 -2.179 4.208 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.252 -2.678 3.546 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.471 -1.862 5.380 1.00 0.00 O ATOM 0 H GLU A 83 -16.902 -2.216 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.551 -0.741 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.947 -1.468 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.433 -3.138 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.269 -2.638 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.653 -0.935 3.757 1.00 0.00 H new ATOM 56 N GLU A 84 -14.680 -3.891 1.209 1.00 0.00 N ATOM 57 CA GLU A 84 -13.665 -4.878 1.548 1.00 0.00 C ATOM 58 C GLU A 84 -12.279 -4.363 1.158 1.00 0.00 C ATOM 59 O GLU A 84 -11.306 -4.546 1.890 1.00 0.00 O ATOM 60 CB GLU A 84 -14.002 -6.197 0.827 1.00 0.00 C ATOM 61 CG GLU A 84 -12.738 -7.034 0.618 1.00 0.00 C ATOM 62 CD GLU A 84 -13.101 -8.476 0.273 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.235 -8.858 0.512 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.238 -9.178 -0.227 1.00 0.00 O ATOM 0 H GLU A 84 -15.338 -4.192 0.490 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.654 -5.056 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.727 -6.763 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.467 -5.983 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.138 -6.603 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.128 -7.013 1.521 1.00 0.00 H new ATOM 71 N LEU A 85 -12.198 -3.721 0.006 1.00 0.00 N ATOM 72 CA LEU A 85 -10.932 -3.182 -0.471 1.00 0.00 C ATOM 73 C LEU A 85 -10.403 -2.140 0.507 1.00 0.00 C ATOM 74 O LEU A 85 -9.219 -2.123 0.842 1.00 0.00 O ATOM 75 CB LEU A 85 -11.142 -2.540 -1.843 1.00 0.00 C ATOM 76 CG LEU A 85 -9.850 -1.904 -2.350 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.713 -2.938 -2.375 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.087 -1.375 -3.766 1.00 0.00 C ATOM 0 H LEU A 85 -12.990 -3.559 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.205 -3.990 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.484 -3.293 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.924 -1.783 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.564 -1.091 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.800 -2.466 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.547 -3.321 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.984 -3.761 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.172 -0.917 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.375 -2.199 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.883 -0.631 -3.748 1.00 0.00 H new ATOM 90 N LYS A 86 -11.301 -1.279 0.962 1.00 0.00 N ATOM 91 CA LYS A 86 -10.943 -0.228 1.908 1.00 0.00 C ATOM 92 C LYS A 86 -10.476 -0.834 3.225 1.00 0.00 C ATOM 93 O LYS A 86 -9.595 -0.288 3.890 1.00 0.00 O ATOM 94 CB LYS A 86 -12.141 0.690 2.125 1.00 0.00 C ATOM 95 CG LYS A 86 -12.405 1.453 0.824 1.00 0.00 C ATOM 96 CD LYS A 86 -13.684 2.292 0.948 1.00 0.00 C ATOM 97 CE LYS A 86 -13.399 3.572 1.744 1.00 0.00 C ATOM 98 NZ LYS A 86 -14.583 4.475 1.660 1.00 0.00 N ATOM 0 H LYS A 86 -12.285 -1.286 0.692 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.120 0.359 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.018 0.109 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.943 1.386 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.558 2.100 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.502 0.751 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.059 2.547 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.462 1.712 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.186 3.328 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.516 4.073 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.395 5.345 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.766 4.716 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.415 3.995 2.058 1.00 0.00 H new ATOM 112 N GLU A 87 -11.033 -1.989 3.578 1.00 0.00 N ATOM 113 CA GLU A 87 -10.615 -2.665 4.794 1.00 0.00 C ATOM 114 C GLU A 87 -9.155 -3.089 4.626 1.00 0.00 C ATOM 115 O GLU A 87 -8.331 -2.888 5.516 1.00 0.00 O ATOM 116 CB GLU A 87 -11.513 -3.891 5.050 1.00 0.00 C ATOM 117 CG GLU A 87 -12.635 -3.533 6.031 1.00 0.00 C ATOM 118 CD GLU A 87 -13.561 -2.478 5.435 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.066 -1.584 4.772 1.00 0.00 O ATOM 120 OE2 GLU A 87 -14.754 -2.578 5.658 1.00 0.00 O ATOM 0 H GLU A 87 -11.762 -2.467 3.048 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.707 -1.998 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.940 -4.240 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.916 -4.710 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.207 -4.427 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.206 -3.162 6.962 1.00 0.00 H new ATOM 127 N ALA A 88 -8.847 -3.657 3.464 1.00 0.00 N ATOM 128 CA ALA A 88 -7.483 -4.091 3.172 1.00 0.00 C ATOM 129 C ALA A 88 -6.536 -2.895 3.220 1.00 0.00 C ATOM 130 O ALA A 88 -5.452 -2.965 3.797 1.00 0.00 O ATOM 131 CB ALA A 88 -7.429 -4.742 1.788 1.00 0.00 C ATOM 0 H ALA A 88 -9.517 -3.827 2.714 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.174 -4.820 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.409 -5.063 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.093 -5.606 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.746 -4.021 1.034 1.00 0.00 H new ATOM 137 N PHE A 89 -6.970 -1.792 2.621 1.00 0.00 N ATOM 138 CA PHE A 89 -6.180 -0.567 2.611 1.00 0.00 C ATOM 139 C PHE A 89 -5.968 -0.056 4.038 1.00 0.00 C ATOM 140 O PHE A 89 -4.860 0.323 4.412 1.00 0.00 O ATOM 141 CB PHE A 89 -6.906 0.491 1.776 1.00 0.00 C ATOM 142 CG PHE A 89 -6.225 1.830 1.923 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.141 2.168 1.106 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.682 2.729 2.890 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.512 3.409 1.258 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.055 3.972 3.042 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.968 4.311 2.227 1.00 0.00 C ATOM 0 H PHE A 89 -7.865 -1.721 2.136 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.203 -0.772 2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.916 0.193 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.945 0.567 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.790 1.472 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.519 2.465 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.675 3.671 0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.410 4.669 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.482 5.268 2.346 1.00 0.00 H new ATOM 157 N ARG A 90 -7.038 -0.053 4.831 1.00 0.00 N ATOM 158 CA ARG A 90 -6.966 0.400 6.203 1.00 0.00 C ATOM 159 C ARG A 90 -6.011 -0.479 7.003 1.00 0.00 C ATOM 160 O ARG A 90 -5.290 -0.001 7.877 1.00 0.00 O ATOM 161 CB ARG A 90 -8.365 0.345 6.805 1.00 0.00 C ATOM 162 CG ARG A 90 -9.243 1.479 6.241 1.00 0.00 C ATOM 163 CD ARG A 90 -9.052 2.759 7.066 1.00 0.00 C ATOM 164 NE ARG A 90 -9.418 2.516 8.457 1.00 0.00 N ATOM 165 CZ ARG A 90 -9.436 3.503 9.348 1.00 0.00 C ATOM 166 NH1 ARG A 90 -10.248 4.511 9.189 1.00 0.00 N ATOM 167 NH2 ARG A 90 -8.642 3.462 10.382 1.00 0.00 N ATOM 0 H ARG A 90 -7.965 -0.362 4.538 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.589 1.422 6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.823 -0.620 6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.304 0.431 7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.982 1.667 5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.291 1.180 6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.015 3.088 7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.665 3.561 6.655 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.665 1.571 8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.870 4.543 8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.261 5.268 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.008 2.673 10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.655 4.219 11.066 1.00 0.00 H new ATOM 181 N VAL A 91 -5.991 -1.761 6.665 1.00 0.00 N ATOM 182 CA VAL A 91 -5.094 -2.708 7.315 1.00 0.00 C ATOM 183 C VAL A 91 -3.651 -2.379 6.944 1.00 0.00 C ATOM 184 O VAL A 91 -2.748 -2.429 7.778 1.00 0.00 O ATOM 185 CB VAL A 91 -5.433 -4.143 6.880 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.333 -5.106 7.349 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.777 -4.568 7.498 1.00 0.00 C ATOM 0 H VAL A 91 -6.586 -2.170 5.944 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.216 -2.632 8.396 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.503 -4.176 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.580 -6.121 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.380 -4.813 6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.256 -5.069 8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.015 -5.586 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.707 -4.527 8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.563 -3.893 7.159 1.00 0.00 H new ATOM 197 N PHE A 92 -3.450 -2.065 5.669 1.00 0.00 N ATOM 198 CA PHE A 92 -2.128 -1.749 5.143 1.00 0.00 C ATOM 199 C PHE A 92 -1.510 -0.523 5.819 1.00 0.00 C ATOM 200 O PHE A 92 -0.306 -0.492 6.075 1.00 0.00 O ATOM 201 CB PHE A 92 -2.237 -1.483 3.634 1.00 0.00 C ATOM 202 CG PHE A 92 -2.254 -2.771 2.832 1.00 0.00 C ATOM 203 CD1 PHE A 92 -2.695 -3.987 3.383 1.00 0.00 C ATOM 204 CD2 PHE A 92 -1.839 -2.726 1.504 1.00 0.00 C ATOM 205 CE1 PHE A 92 -2.709 -5.145 2.595 1.00 0.00 C ATOM 206 CE2 PHE A 92 -1.848 -3.882 0.717 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.286 -5.093 1.263 1.00 0.00 C ATOM 0 H PHE A 92 -4.195 -2.023 4.974 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.481 -2.603 5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.146 -0.916 3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.398 -0.866 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.022 -4.028 4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.507 -1.791 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.047 -6.080 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.517 -3.840 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.298 -5.987 0.657 1.00 0.00 H new ATOM 217 N ASP A 93 -2.321 0.499 6.067 1.00 0.00 N ATOM 218 CA ASP A 93 -1.812 1.735 6.664 1.00 0.00 C ATOM 219 C ASP A 93 -1.711 1.642 8.186 1.00 0.00 C ATOM 220 O ASP A 93 -2.667 1.940 8.900 1.00 0.00 O ATOM 221 CB ASP A 93 -2.727 2.903 6.296 1.00 0.00 C ATOM 222 CG ASP A 93 -2.006 4.228 6.538 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.961 4.210 7.169 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.508 5.242 6.080 1.00 0.00 O ATOM 0 H ASP A 93 -3.321 0.501 5.868 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.809 1.896 6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.024 2.827 5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.640 2.862 6.891 1.00 0.00 H new ATOM 229 N LYS A 94 -0.541 1.240 8.672 1.00 0.00 N ATOM 230 CA LYS A 94 -0.321 1.120 10.101 1.00 0.00 C ATOM 231 C LYS A 94 -0.488 2.487 10.788 1.00 0.00 C ATOM 232 O LYS A 94 -1.155 2.594 11.814 1.00 0.00 O ATOM 233 CB LYS A 94 1.091 0.587 10.345 1.00 0.00 C ATOM 234 CG LYS A 94 1.268 0.306 11.832 1.00 0.00 C ATOM 235 CD LYS A 94 2.677 -0.247 12.105 1.00 0.00 C ATOM 236 CE LYS A 94 3.720 0.878 12.010 1.00 0.00 C ATOM 237 NZ LYS A 94 4.992 0.438 12.655 1.00 0.00 N ATOM 0 H LYS A 94 0.264 0.994 8.096 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.055 0.432 10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.254 -0.323 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.831 1.314 10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.112 1.221 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.517 -0.410 12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.711 -0.701 13.095 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.912 -1.032 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.900 1.134 10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.345 1.777 12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.580 1.269 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.777 -0.066 13.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.506 -0.196 12.011 1.00 0.00 H new ATOM 251 N ASP A 95 0.146 3.520 10.223 1.00 0.00 N ATOM 252 CA ASP A 95 0.092 4.883 10.786 1.00 0.00 C ATOM 253 C ASP A 95 -1.328 5.496 10.695 1.00 0.00 C ATOM 254 O ASP A 95 -1.760 6.235 11.585 1.00 0.00 O ATOM 255 CB ASP A 95 1.076 5.762 10.011 1.00 0.00 C ATOM 256 CG ASP A 95 2.440 5.081 9.921 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.816 4.417 10.876 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.087 5.228 8.896 1.00 0.00 O ATOM 0 H ASP A 95 0.705 3.443 9.374 1.00 0.00 H new ATOM 0 HA ASP A 95 0.356 4.831 11.842 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.691 5.954 9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.177 6.729 10.504 1.00 0.00 H new ATOM 263 N GLN A 96 -2.018 5.176 9.593 1.00 0.00 N ATOM 264 CA GLN A 96 -3.395 5.666 9.313 1.00 0.00 C ATOM 265 C GLN A 96 -3.394 7.160 8.881 1.00 0.00 C ATOM 266 O GLN A 96 -4.226 7.943 9.338 1.00 0.00 O ATOM 267 CB GLN A 96 -4.291 5.470 10.587 1.00 0.00 C ATOM 268 CG GLN A 96 -5.707 4.883 10.259 1.00 0.00 C ATOM 269 CD GLN A 96 -5.765 3.367 10.535 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.489 2.925 11.431 1.00 0.00 O ATOM 271 NE2 GLN A 96 -5.045 2.552 9.818 1.00 0.00 N ATOM 0 H GLN A 96 -1.646 4.569 8.862 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.802 5.085 8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.781 4.805 11.284 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.410 6.429 11.091 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.462 5.393 10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.948 5.074 9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.446 2.917 9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.080 1.548 9.997 1.00 0.00 H new ATOM 280 N ASN A 97 -2.459 7.557 7.999 1.00 0.00 N ATOM 281 CA ASN A 97 -2.391 8.961 7.540 1.00 0.00 C ATOM 282 C ASN A 97 -3.112 9.137 6.204 1.00 0.00 C ATOM 283 O ASN A 97 -3.071 10.212 5.605 1.00 0.00 O ATOM 284 CB ASN A 97 -0.928 9.394 7.387 1.00 0.00 C ATOM 285 CG ASN A 97 -0.186 9.096 8.677 1.00 0.00 C ATOM 286 OD1 ASN A 97 0.810 8.371 8.672 1.00 0.00 O ATOM 287 ND2 ASN A 97 -0.627 9.607 9.793 1.00 0.00 N ATOM 0 H ASN A 97 -1.753 6.942 7.595 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.883 9.583 8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.464 8.864 6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.872 10.458 7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.147 9.407 10.670 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.452 10.206 9.788 1.00 0.00 H new ATOM 294 N GLY A 98 -3.772 8.076 5.741 1.00 0.00 N ATOM 295 CA GLY A 98 -4.497 8.121 4.473 1.00 0.00 C ATOM 296 C GLY A 98 -3.598 7.668 3.329 1.00 0.00 C ATOM 297 O GLY A 98 -4.034 7.558 2.182 1.00 0.00 O ATOM 0 H GLY A 98 -3.819 7.178 6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.377 7.480 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.852 9.135 4.286 1.00 0.00 H new ATOM 301 N PHE A 99 -2.332 7.421 3.656 1.00 0.00 N ATOM 302 CA PHE A 99 -1.340 6.989 2.674 1.00 0.00 C ATOM 303 C PHE A 99 -0.656 5.721 3.152 1.00 0.00 C ATOM 304 O PHE A 99 -0.629 5.431 4.347 1.00 0.00 O ATOM 305 CB PHE A 99 -0.270 8.064 2.505 1.00 0.00 C ATOM 306 CG PHE A 99 -0.870 9.297 1.881 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.623 10.176 2.662 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.678 9.555 0.521 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.187 11.318 2.085 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.242 10.696 -0.060 1.00 0.00 C ATOM 311 CZ PHE A 99 -1.997 11.579 0.722 1.00 0.00 C ATOM 0 H PHE A 99 -1.966 7.514 4.604 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.851 6.811 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.164 8.312 3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.539 7.687 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.770 9.974 3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.095 8.874 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.769 11.998 2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.095 10.896 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.432 12.460 0.275 1.00 0.00 H new ATOM 321 N ILE A 100 -0.067 4.989 2.211 1.00 0.00 N ATOM 322 CA ILE A 100 0.664 3.771 2.537 1.00 0.00 C ATOM 323 C ILE A 100 2.130 3.976 2.199 1.00 0.00 C ATOM 324 O ILE A 100 2.474 4.372 1.085 1.00 0.00 O ATOM 325 CB ILE A 100 0.109 2.581 1.757 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.359 2.381 2.136 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.901 1.323 2.121 1.00 0.00 C ATOM 328 CD1 ILE A 100 -2.008 1.358 1.199 1.00 0.00 C ATOM 0 H ILE A 100 -0.082 5.219 1.217 1.00 0.00 H new ATOM 0 HA ILE A 100 0.552 3.558 3.600 1.00 0.00 H new ATOM 0 HB ILE A 100 0.194 2.768 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.433 2.039 3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.891 3.330 2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.507 0.472 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.951 1.468 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.810 1.132 3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.053 1.222 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.949 1.717 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.484 0.406 1.281 1.00 0.00 H new ATOM 340 N SER A 101 2.984 3.715 3.174 1.00 0.00 N ATOM 341 CA SER A 101 4.425 3.880 2.998 1.00 0.00 C ATOM 342 C SER A 101 5.090 2.527 2.830 1.00 0.00 C ATOM 343 O SER A 101 4.607 1.525 3.358 1.00 0.00 O ATOM 344 CB SER A 101 5.016 4.583 4.218 1.00 0.00 C ATOM 345 OG SER A 101 6.407 4.791 4.015 1.00 0.00 O ATOM 0 H SER A 101 2.708 3.387 4.099 1.00 0.00 H new ATOM 0 HA SER A 101 4.602 4.481 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.514 5.537 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.854 3.981 5.112 1.00 0.00 H new ATOM 0 HG SER A 101 6.788 5.244 4.796 1.00 0.00 H new ATOM 351 N ALA A 102 6.206 2.494 2.111 1.00 0.00 N ATOM 352 CA ALA A 102 6.914 1.237 1.921 1.00 0.00 C ATOM 353 C ALA A 102 7.131 0.605 3.287 1.00 0.00 C ATOM 354 O ALA A 102 7.015 -0.608 3.454 1.00 0.00 O ATOM 355 CB ALA A 102 8.259 1.481 1.232 1.00 0.00 C ATOM 0 H ALA A 102 6.631 3.304 1.660 1.00 0.00 H new ATOM 0 HA ALA A 102 6.328 0.571 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.776 0.531 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.091 1.944 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.869 2.142 1.848 1.00 0.00 H new ATOM 361 N ALA A 103 7.420 1.458 4.267 1.00 0.00 N ATOM 362 CA ALA A 103 7.622 0.999 5.631 1.00 0.00 C ATOM 363 C ALA A 103 6.382 0.246 6.105 1.00 0.00 C ATOM 364 O ALA A 103 6.479 -0.859 6.634 1.00 0.00 O ATOM 365 CB ALA A 103 7.872 2.201 6.544 1.00 0.00 C ATOM 0 H ALA A 103 7.518 2.465 4.139 1.00 0.00 H new ATOM 0 HA ALA A 103 8.485 0.333 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.023 1.856 7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.760 2.736 6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.011 2.869 6.510 1.00 0.00 H new ATOM 371 N GLU A 104 5.215 0.853 5.894 1.00 0.00 N ATOM 372 CA GLU A 104 3.964 0.234 6.283 1.00 0.00 C ATOM 373 C GLU A 104 3.709 -1.002 5.429 1.00 0.00 C ATOM 374 O GLU A 104 3.333 -2.059 5.938 1.00 0.00 O ATOM 375 CB GLU A 104 2.833 1.240 6.089 1.00 0.00 C ATOM 376 CG GLU A 104 2.986 2.381 7.095 1.00 0.00 C ATOM 377 CD GLU A 104 1.905 3.428 6.859 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.649 3.740 5.708 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.349 3.907 7.834 1.00 0.00 O ATOM 0 H GLU A 104 5.117 1.769 5.457 1.00 0.00 H new ATOM 0 HA GLU A 104 4.013 -0.067 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.852 1.633 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.869 0.750 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.914 1.994 8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.972 2.835 6.996 1.00 0.00 H new ATOM 386 N LEU A 105 3.927 -0.857 4.126 1.00 0.00 N ATOM 387 CA LEU A 105 3.731 -1.960 3.195 1.00 0.00 C ATOM 388 C LEU A 105 4.676 -3.105 3.549 1.00 0.00 C ATOM 389 O LEU A 105 4.302 -4.276 3.500 1.00 0.00 O ATOM 390 CB LEU A 105 3.999 -1.481 1.759 1.00 0.00 C ATOM 391 CG LEU A 105 3.355 -2.441 0.739 1.00 0.00 C ATOM 392 CD1 LEU A 105 1.861 -2.122 0.569 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.050 -2.289 -0.617 1.00 0.00 C ATOM 0 H LEU A 105 4.239 0.012 3.692 1.00 0.00 H new ATOM 0 HA LEU A 105 2.702 -2.313 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.599 -0.476 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.073 -1.422 1.584 1.00 0.00 H new ATOM 0 HG LEU A 105 3.465 -3.461 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.422 -2.809 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.354 -2.232 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.746 -1.098 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.594 -2.968 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.943 -1.263 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.108 -2.528 -0.512 1.00 0.00 H new ATOM 405 N ARG A 106 5.898 -2.746 3.922 1.00 0.00 N ATOM 406 CA ARG A 106 6.890 -3.740 4.306 1.00 0.00 C ATOM 407 C ARG A 106 6.422 -4.483 5.556 1.00 0.00 C ATOM 408 O ARG A 106 6.552 -5.701 5.650 1.00 0.00 O ATOM 409 CB ARG A 106 8.240 -3.067 4.583 1.00 0.00 C ATOM 410 CG ARG A 106 9.296 -4.134 4.897 1.00 0.00 C ATOM 411 CD ARG A 106 10.632 -3.461 5.217 1.00 0.00 C ATOM 412 NE ARG A 106 11.679 -4.466 5.359 1.00 0.00 N ATOM 413 CZ ARG A 106 12.818 -4.190 5.985 1.00 0.00 C ATOM 414 NH1 ARG A 106 12.796 -3.580 7.139 1.00 0.00 N ATOM 415 NH2 ARG A 106 13.958 -4.530 5.448 1.00 0.00 N ATOM 0 H ARG A 106 6.224 -1.780 3.966 1.00 0.00 H new ATOM 0 HA ARG A 106 7.010 -4.448 3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.549 -2.480 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.147 -2.376 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.973 -4.742 5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.411 -4.806 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.894 -2.761 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.545 -2.883 6.137 1.00 0.00 H new ATOM 0 HE ARG A 106 11.534 -5.398 4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.905 -3.316 7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.670 -3.368 7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.975 -5.008 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.832 -4.318 5.929 1.00 0.00 H new ATOM 429 N HIS A 107 5.888 -3.731 6.514 1.00 0.00 N ATOM 430 CA HIS A 107 5.414 -4.317 7.765 1.00 0.00 C ATOM 431 C HIS A 107 4.243 -5.264 7.520 1.00 0.00 C ATOM 432 O HIS A 107 4.207 -6.372 8.055 1.00 0.00 O ATOM 433 CB HIS A 107 4.976 -3.207 8.720 1.00 0.00 C ATOM 434 CG HIS A 107 6.171 -2.385 9.113 1.00 0.00 C ATOM 435 ND1 HIS A 107 6.072 -1.290 9.958 1.00 0.00 N ATOM 436 CD2 HIS A 107 7.499 -2.479 8.777 1.00 0.00 C ATOM 437 CE1 HIS A 107 7.306 -0.772 10.098 1.00 0.00 C ATOM 438 NE2 HIS A 107 8.214 -1.458 9.399 1.00 0.00 N ATOM 0 H HIS A 107 5.773 -2.720 6.449 1.00 0.00 H new ATOM 0 HA HIS A 107 6.233 -4.886 8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.228 -2.575 8.242 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.510 -3.638 9.606 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.925 -3.231 8.129 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.534 0.093 10.702 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.215 -1.274 9.334 1.00 0.00 H new ATOM 446 N VAL A 108 3.285 -4.823 6.712 1.00 0.00 N ATOM 447 CA VAL A 108 2.119 -5.645 6.409 1.00 0.00 C ATOM 448 C VAL A 108 2.541 -6.871 5.606 1.00 0.00 C ATOM 449 O VAL A 108 2.069 -7.983 5.852 1.00 0.00 O ATOM 450 CB VAL A 108 1.067 -4.814 5.653 1.00 0.00 C ATOM 451 CG1 VAL A 108 -0.166 -5.686 5.377 1.00 0.00 C ATOM 452 CG2 VAL A 108 0.678 -3.573 6.505 1.00 0.00 C ATOM 0 H VAL A 108 3.292 -3.909 6.259 1.00 0.00 H new ATOM 0 HA VAL A 108 1.668 -5.989 7.340 1.00 0.00 H new ATOM 0 HB VAL A 108 1.476 -4.471 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.913 -5.100 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.124 -6.545 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.585 -6.033 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.067 -2.984 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.265 -3.901 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.563 -2.963 6.684 1.00 0.00 H new ATOM 462 N MET A 109 3.457 -6.667 4.665 1.00 0.00 N ATOM 463 CA MET A 109 3.957 -7.768 3.856 1.00 0.00 C ATOM 464 C MET A 109 4.701 -8.765 4.745 1.00 0.00 C ATOM 465 O MET A 109 4.587 -9.975 4.567 1.00 0.00 O ATOM 466 CB MET A 109 4.887 -7.235 2.765 1.00 0.00 C ATOM 467 CG MET A 109 4.049 -6.595 1.653 1.00 0.00 C ATOM 468 SD MET A 109 3.169 -7.880 0.731 1.00 0.00 S ATOM 469 CE MET A 109 1.928 -6.801 -0.026 1.00 0.00 C ATOM 0 H MET A 109 3.864 -5.758 4.446 1.00 0.00 H new ATOM 0 HA MET A 109 3.117 -8.275 3.381 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.576 -6.502 3.185 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.492 -8.046 2.359 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.337 -5.890 2.082 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.693 -6.028 0.980 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.263 -7.395 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.348 -6.309 0.755 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.425 -6.048 -0.637 1.00 0.00 H new ATOM 479 N THR A 110 5.451 -8.246 5.715 1.00 0.00 N ATOM 480 CA THR A 110 6.191 -9.101 6.639 1.00 0.00 C ATOM 481 C THR A 110 5.222 -9.957 7.454 1.00 0.00 C ATOM 482 O THR A 110 5.455 -11.147 7.669 1.00 0.00 O ATOM 483 CB THR A 110 7.051 -8.255 7.581 1.00 0.00 C ATOM 484 OG1 THR A 110 7.797 -7.315 6.820 1.00 0.00 O ATOM 485 CG2 THR A 110 8.013 -9.163 8.351 1.00 0.00 C ATOM 0 H THR A 110 5.562 -7.246 5.881 1.00 0.00 H new ATOM 0 HA THR A 110 6.843 -9.753 6.058 1.00 0.00 H new ATOM 0 HB THR A 110 6.408 -7.728 8.286 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.280 -6.488 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.625 -8.560 9.021 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.443 -9.887 8.933 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.657 -9.690 7.648 1.00 0.00 H new ATOM 493 N ASN A 111 4.121 -9.343 7.882 1.00 0.00 N ATOM 494 CA ASN A 111 3.101 -10.050 8.651 1.00 0.00 C ATOM 495 C ASN A 111 2.520 -11.173 7.805 1.00 0.00 C ATOM 496 O ASN A 111 2.106 -12.215 8.311 1.00 0.00 O ATOM 497 CB ASN A 111 1.982 -9.082 9.042 1.00 0.00 C ATOM 498 CG ASN A 111 0.886 -9.825 9.798 1.00 0.00 C ATOM 499 OD1 ASN A 111 -0.069 -10.309 9.193 1.00 0.00 O ATOM 500 ND2 ASN A 111 0.968 -9.942 11.095 1.00 0.00 N ATOM 0 H ASN A 111 3.913 -8.359 7.709 1.00 0.00 H new ATOM 0 HA ASN A 111 3.553 -10.463 9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.384 -8.281 9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.566 -8.615 8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.239 -10.436 11.610 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.761 -9.540 11.594 1.00 0.00 H new ATOM 507 N LEU A 112 2.497 -10.924 6.506 1.00 0.00 N ATOM 508 CA LEU A 112 1.969 -11.873 5.532 1.00 0.00 C ATOM 509 C LEU A 112 2.745 -13.189 5.607 1.00 0.00 C ATOM 510 O LEU A 112 2.183 -14.277 5.480 1.00 0.00 O ATOM 511 CB LEU A 112 2.163 -11.242 4.134 1.00 0.00 C ATOM 512 CG LEU A 112 1.054 -11.615 3.132 1.00 0.00 C ATOM 513 CD1 LEU A 112 0.672 -13.097 3.223 1.00 0.00 C ATOM 514 CD2 LEU A 112 -0.179 -10.733 3.373 1.00 0.00 C ATOM 0 H LEU A 112 2.844 -10.058 6.094 1.00 0.00 H new ATOM 0 HA LEU A 112 0.918 -12.083 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.200 -10.157 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.126 -11.558 3.732 1.00 0.00 H new ATOM 0 HG LEU A 112 1.439 -11.441 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.113 -13.316 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.546 -13.712 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.311 -13.319 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.961 -11.000 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.543 -10.887 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.091 -9.686 3.239 1.00 0.00 H new ATOM 526 N GLY A 113 4.052 -13.060 5.779 1.00 0.00 N ATOM 527 CA GLY A 113 4.942 -14.213 5.820 1.00 0.00 C ATOM 528 C GLY A 113 5.656 -14.290 4.483 1.00 0.00 C ATOM 529 O GLY A 113 6.272 -15.297 4.132 1.00 0.00 O ATOM 0 H GLY A 113 4.523 -12.163 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.661 -14.113 6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.377 -15.126 6.005 1.00 0.00 H new ATOM 533 N GLU A 114 5.580 -13.171 3.764 1.00 0.00 N ATOM 534 CA GLU A 114 6.227 -13.020 2.470 1.00 0.00 C ATOM 535 C GLU A 114 7.479 -12.177 2.659 1.00 0.00 C ATOM 536 O GLU A 114 7.434 -11.152 3.340 1.00 0.00 O ATOM 537 CB GLU A 114 5.278 -12.321 1.505 1.00 0.00 C ATOM 538 CG GLU A 114 4.068 -13.218 1.253 1.00 0.00 C ATOM 539 CD GLU A 114 4.489 -14.474 0.496 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.549 -14.450 -0.109 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.745 -15.439 0.528 1.00 0.00 O ATOM 0 H GLU A 114 5.066 -12.344 4.067 1.00 0.00 H new ATOM 0 HA GLU A 114 6.490 -13.996 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.957 -11.365 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.788 -12.106 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.607 -13.494 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.317 -12.674 0.680 1.00 0.00 H new ATOM 548 N LYS A 115 8.599 -12.606 2.080 1.00 0.00 N ATOM 549 CA LYS A 115 9.858 -11.868 2.229 1.00 0.00 C ATOM 550 C LYS A 115 10.286 -11.250 0.904 1.00 0.00 C ATOM 551 O LYS A 115 10.976 -11.881 0.106 1.00 0.00 O ATOM 552 CB LYS A 115 10.951 -12.816 2.737 1.00 0.00 C ATOM 553 CG LYS A 115 12.213 -12.027 3.129 1.00 0.00 C ATOM 554 CD LYS A 115 12.003 -11.299 4.470 1.00 0.00 C ATOM 555 CE LYS A 115 13.356 -10.851 5.021 1.00 0.00 C ATOM 556 NZ LYS A 115 14.156 -12.048 5.404 1.00 0.00 N ATOM 0 H LYS A 115 8.664 -13.449 1.510 1.00 0.00 H new ATOM 0 HA LYS A 115 9.706 -11.064 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.584 -13.376 3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.196 -13.544 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.063 -12.705 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.453 -11.303 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.351 -10.437 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.509 -11.960 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.891 -10.267 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.212 -10.204 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.801 -11.800 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.517 -12.808 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.709 -12.372 4.585 1.00 0.00 H new ATOM 570 N LEU A 116 9.879 -10.001 0.691 1.00 0.00 N ATOM 571 CA LEU A 116 10.232 -9.284 -0.530 1.00 0.00 C ATOM 572 C LEU A 116 11.546 -8.540 -0.334 1.00 0.00 C ATOM 573 O LEU A 116 11.841 -8.063 0.762 1.00 0.00 O ATOM 574 CB LEU A 116 9.149 -8.266 -0.887 1.00 0.00 C ATOM 575 CG LEU A 116 7.856 -8.979 -1.299 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.321 -9.828 -0.131 1.00 0.00 C ATOM 577 CD2 LEU A 116 6.819 -7.923 -1.693 1.00 0.00 C ATOM 0 H LEU A 116 9.307 -9.467 1.345 1.00 0.00 H new ATOM 0 HA LEU A 116 10.328 -10.013 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.957 -7.616 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.495 -7.629 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 116 8.054 -9.640 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.402 -10.329 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.066 -10.573 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.116 -9.183 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.893 -8.415 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.626 -7.268 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.199 -7.333 -2.527 1.00 0.00 H new ATOM 589 N THR A 117 12.317 -8.424 -1.401 1.00 0.00 N ATOM 590 CA THR A 117 13.580 -7.719 -1.341 1.00 0.00 C ATOM 591 C THR A 117 13.325 -6.216 -1.347 1.00 0.00 C ATOM 592 O THR A 117 12.212 -5.773 -1.626 1.00 0.00 O ATOM 593 CB THR A 117 14.443 -8.113 -2.540 1.00 0.00 C ATOM 594 OG1 THR A 117 14.612 -9.523 -2.552 1.00 0.00 O ATOM 595 CG2 THR A 117 15.809 -7.438 -2.442 1.00 0.00 C ATOM 0 H THR A 117 12.089 -8.809 -2.317 1.00 0.00 H new ATOM 0 HA THR A 117 14.105 -7.986 -0.424 1.00 0.00 H new ATOM 0 HB THR A 117 13.952 -7.792 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 117 15.163 -9.780 -3.320 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.418 -7.723 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.680 -6.356 -2.433 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.305 -7.752 -1.524 1.00 0.00 H new ATOM 603 N ASP A 118 14.354 -5.435 -1.052 1.00 0.00 N ATOM 604 CA ASP A 118 14.210 -3.986 -1.044 1.00 0.00 C ATOM 605 C ASP A 118 13.846 -3.504 -2.440 1.00 0.00 C ATOM 606 O ASP A 118 13.024 -2.602 -2.605 1.00 0.00 O ATOM 607 CB ASP A 118 15.524 -3.342 -0.592 1.00 0.00 C ATOM 608 CG ASP A 118 15.401 -1.822 -0.602 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.566 -1.309 0.125 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.147 -1.193 -1.334 1.00 0.00 O ATOM 0 H ASP A 118 15.287 -5.774 -0.818 1.00 0.00 H new ATOM 0 HA ASP A 118 13.418 -3.702 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.779 -3.686 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.334 -3.652 -1.252 1.00 0.00 H new ATOM 615 N GLU A 119 14.472 -4.109 -3.439 1.00 0.00 N ATOM 616 CA GLU A 119 14.229 -3.743 -4.826 1.00 0.00 C ATOM 617 C GLU A 119 12.809 -4.103 -5.258 1.00 0.00 C ATOM 618 O GLU A 119 12.179 -3.351 -6.002 1.00 0.00 O ATOM 619 CB GLU A 119 15.236 -4.453 -5.728 1.00 0.00 C ATOM 620 CG GLU A 119 15.142 -3.891 -7.149 1.00 0.00 C ATOM 621 CD GLU A 119 15.666 -2.457 -7.182 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.222 -2.027 -6.184 1.00 0.00 O ATOM 623 OE2 GLU A 119 15.500 -1.809 -8.202 1.00 0.00 O ATOM 0 H GLU A 119 15.154 -4.857 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 119 14.346 -2.663 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.245 -4.318 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.038 -5.525 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.719 -4.513 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.107 -3.916 -7.491 1.00 0.00 H new ATOM 630 N GLU A 120 12.290 -5.236 -4.785 1.00 0.00 N ATOM 631 CA GLU A 120 10.933 -5.620 -5.147 1.00 0.00 C ATOM 632 C GLU A 120 9.963 -4.637 -4.522 1.00 0.00 C ATOM 633 O GLU A 120 9.028 -4.160 -5.167 1.00 0.00 O ATOM 634 CB GLU A 120 10.609 -7.033 -4.652 1.00 0.00 C ATOM 635 CG GLU A 120 11.433 -8.058 -5.433 1.00 0.00 C ATOM 636 CD GLU A 120 11.174 -9.458 -4.884 1.00 0.00 C ATOM 637 OE1 GLU A 120 10.383 -9.572 -3.961 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.768 -10.392 -5.394 1.00 0.00 O ATOM 0 H GLU A 120 12.776 -5.886 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 120 10.844 -5.609 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.826 -7.114 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.546 -7.237 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.172 -8.018 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.494 -7.819 -5.358 1.00 0.00 H new ATOM 645 N VAL A 121 10.203 -4.338 -3.252 1.00 0.00 N ATOM 646 CA VAL A 121 9.365 -3.409 -2.519 1.00 0.00 C ATOM 647 C VAL A 121 9.405 -2.032 -3.174 1.00 0.00 C ATOM 648 O VAL A 121 8.367 -1.436 -3.440 1.00 0.00 O ATOM 649 CB VAL A 121 9.883 -3.323 -1.078 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.201 -2.177 -0.329 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.599 -4.644 -0.358 1.00 0.00 C ATOM 0 H VAL A 121 10.974 -4.728 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 121 8.332 -3.758 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 121 10.956 -3.135 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.581 -2.132 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.410 -1.235 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.124 -2.346 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.966 -4.586 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.525 -4.830 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.103 -5.458 -0.879 1.00 0.00 H new ATOM 661 N ASP A 122 10.606 -1.538 -3.449 1.00 0.00 N ATOM 662 CA ASP A 122 10.761 -0.237 -4.085 1.00 0.00 C ATOM 663 C ASP A 122 10.137 -0.235 -5.482 1.00 0.00 C ATOM 664 O ASP A 122 9.385 0.675 -5.832 1.00 0.00 O ATOM 665 CB ASP A 122 12.247 0.109 -4.186 1.00 0.00 C ATOM 666 CG ASP A 122 12.420 1.565 -4.599 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.875 2.423 -3.922 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.095 1.804 -5.587 1.00 0.00 O ATOM 0 H ASP A 122 11.483 -2.017 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 122 10.248 0.509 -3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.735 -0.065 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.731 -0.543 -4.913 1.00 0.00 H new ATOM 673 N GLU A 123 10.469 -1.246 -6.282 1.00 0.00 N ATOM 674 CA GLU A 123 9.951 -1.336 -7.645 1.00 0.00 C ATOM 675 C GLU A 123 8.429 -1.323 -7.646 1.00 0.00 C ATOM 676 O GLU A 123 7.807 -0.658 -8.476 1.00 0.00 O ATOM 677 CB GLU A 123 10.456 -2.623 -8.312 1.00 0.00 C ATOM 678 CG GLU A 123 10.009 -2.666 -9.779 1.00 0.00 C ATOM 679 CD GLU A 123 8.549 -3.104 -9.881 1.00 0.00 C ATOM 680 OE1 GLU A 123 8.131 -3.907 -9.064 1.00 0.00 O ATOM 681 OE2 GLU A 123 7.870 -2.627 -10.775 1.00 0.00 O ATOM 0 H GLU A 123 11.090 -2.009 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 123 10.307 -0.471 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.543 -2.670 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.070 -3.493 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.132 -1.682 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.642 -3.356 -10.338 1.00 0.00 H new ATOM 688 N MET A 124 7.831 -2.040 -6.705 1.00 0.00 N ATOM 689 CA MET A 124 6.381 -2.083 -6.598 1.00 0.00 C ATOM 690 C MET A 124 5.842 -0.706 -6.234 1.00 0.00 C ATOM 691 O MET A 124 4.849 -0.236 -6.791 1.00 0.00 O ATOM 692 CB MET A 124 5.997 -3.100 -5.522 1.00 0.00 C ATOM 693 CG MET A 124 4.497 -3.032 -5.250 1.00 0.00 C ATOM 694 SD MET A 124 3.985 -4.524 -4.360 1.00 0.00 S ATOM 695 CE MET A 124 2.249 -4.074 -4.130 1.00 0.00 C ATOM 0 H MET A 124 8.325 -2.597 -6.008 1.00 0.00 H new ATOM 0 HA MET A 124 5.950 -2.379 -7.554 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.271 -4.104 -5.845 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.551 -2.898 -4.605 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.262 -2.145 -4.662 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.949 -2.948 -6.188 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.735 -4.870 -3.592 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.186 -3.149 -3.557 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.778 -3.931 -5.103 1.00 0.00 H new ATOM 705 N ILE A 125 6.529 -0.069 -5.300 1.00 0.00 N ATOM 706 CA ILE A 125 6.168 1.268 -4.840 1.00 0.00 C ATOM 707 C ILE A 125 6.350 2.310 -5.948 1.00 0.00 C ATOM 708 O ILE A 125 5.478 3.154 -6.159 1.00 0.00 O ATOM 709 CB ILE A 125 7.016 1.602 -3.602 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.527 0.766 -2.396 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.970 3.093 -3.266 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.082 1.131 -1.998 1.00 0.00 C ATOM 0 H ILE A 125 7.350 -0.460 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 125 5.112 1.290 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 125 8.053 1.351 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.580 -0.294 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.191 0.929 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.582 3.287 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.355 3.668 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.940 3.389 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.774 0.523 -1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.035 2.185 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.414 0.943 -2.839 1.00 0.00 H new ATOM 724 N ARG A 126 7.472 2.245 -6.664 1.00 0.00 N ATOM 725 CA ARG A 126 7.726 3.186 -7.756 1.00 0.00 C ATOM 726 C ARG A 126 6.756 2.912 -8.903 1.00 0.00 C ATOM 727 O ARG A 126 6.320 3.824 -9.594 1.00 0.00 O ATOM 728 CB ARG A 126 9.187 3.052 -8.249 1.00 0.00 C ATOM 729 CG ARG A 126 10.090 4.073 -7.540 1.00 0.00 C ATOM 730 CD ARG A 126 10.146 3.752 -6.049 1.00 0.00 C ATOM 731 NE ARG A 126 11.025 4.695 -5.362 1.00 0.00 N ATOM 732 CZ ARG A 126 10.565 5.858 -4.906 1.00 0.00 C ATOM 733 NH1 ARG A 126 9.543 5.885 -4.098 1.00 0.00 N ATOM 734 NH2 ARG A 126 11.139 6.973 -5.271 1.00 0.00 N ATOM 0 H ARG A 126 8.212 1.560 -6.511 1.00 0.00 H new ATOM 0 HA ARG A 126 7.575 4.203 -7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.550 2.042 -8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.229 3.207 -9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.093 4.046 -7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.706 5.082 -7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.144 3.800 -5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.507 2.734 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 126 12.008 4.458 -5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.094 5.014 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.192 6.777 -3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.938 6.952 -5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.788 7.865 -4.923 1.00 0.00 H new ATOM 748 N GLU A 127 6.429 1.643 -9.090 1.00 0.00 N ATOM 749 CA GLU A 127 5.505 1.249 -10.144 1.00 0.00 C ATOM 750 C GLU A 127 4.085 1.695 -9.793 1.00 0.00 C ATOM 751 O GLU A 127 3.348 2.188 -10.649 1.00 0.00 O ATOM 752 CB GLU A 127 5.547 -0.269 -10.323 1.00 0.00 C ATOM 753 CG GLU A 127 4.638 -0.683 -11.483 1.00 0.00 C ATOM 754 CD GLU A 127 4.734 -2.191 -11.698 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.294 -2.855 -10.842 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.245 -2.656 -12.714 1.00 0.00 O ATOM 0 H GLU A 127 6.787 0.870 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 127 5.802 1.729 -11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.569 -0.593 -10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.226 -0.761 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.607 -0.401 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.930 -0.157 -12.392 1.00 0.00 H new ATOM 763 N ALA A 128 3.712 1.524 -8.524 1.00 0.00 N ATOM 764 CA ALA A 128 2.379 1.915 -8.066 1.00 0.00 C ATOM 765 C ALA A 128 2.309 3.422 -7.848 1.00 0.00 C ATOM 766 O ALA A 128 1.231 4.011 -7.899 1.00 0.00 O ATOM 767 CB ALA A 128 2.024 1.184 -6.773 1.00 0.00 C ATOM 0 H ALA A 128 4.308 1.121 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 128 1.659 1.639 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.029 1.486 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.037 0.108 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.752 1.435 -6.001 1.00 0.00 H new ATOM 773 N ASP A 129 3.474 4.043 -7.678 1.00 0.00 N ATOM 774 CA ASP A 129 3.574 5.485 -7.530 1.00 0.00 C ATOM 775 C ASP A 129 4.001 6.055 -8.872 1.00 0.00 C ATOM 776 O ASP A 129 5.035 5.662 -9.397 1.00 0.00 O ATOM 777 CB ASP A 129 4.631 5.864 -6.474 1.00 0.00 C ATOM 778 CG ASP A 129 4.532 7.348 -6.113 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.512 7.947 -6.405 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.489 7.864 -5.550 1.00 0.00 O ATOM 0 H ASP A 129 4.371 3.558 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 129 2.612 5.883 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.491 5.257 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.628 5.644 -6.856 1.00 0.00 H new ATOM 785 N VAL A 130 3.238 6.991 -9.392 1.00 0.00 N ATOM 786 CA VAL A 130 3.568 7.648 -10.643 1.00 0.00 C ATOM 787 C VAL A 130 3.410 9.156 -10.427 1.00 0.00 C ATOM 788 O VAL A 130 3.898 9.944 -11.248 1.00 0.00 O ATOM 789 CB VAL A 130 2.673 7.124 -11.770 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.366 6.623 -11.137 1.00 0.00 C ATOM 791 CG2 VAL A 130 2.356 8.241 -12.786 1.00 0.00 C ATOM 0 H VAL A 130 2.373 7.319 -8.963 1.00 0.00 H new ATOM 0 HA VAL A 130 4.594 7.435 -10.943 1.00 0.00 H new ATOM 0 HB VAL A 130 3.185 6.321 -12.301 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.706 6.243 -11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 130 1.587 5.825 -10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 130 0.875 7.445 -10.616 1.00 0.00 H new ATOM 0 HG21 VAL A 130 1.719 7.844 -13.576 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.840 9.057 -12.280 1.00 0.00 H new ATOM 0 HG23 VAL A 130 3.284 8.612 -13.220 1.00 0.00 H new ATOM 801 N ASP A 131 2.794 9.551 -9.284 1.00 0.00 N ATOM 802 CA ASP A 131 2.663 10.989 -8.918 1.00 0.00 C ATOM 803 C ASP A 131 3.979 11.350 -8.250 1.00 0.00 C ATOM 804 O ASP A 131 4.309 12.518 -8.017 1.00 0.00 O ATOM 805 CB ASP A 131 1.536 11.308 -7.880 1.00 0.00 C ATOM 806 CG ASP A 131 0.140 10.993 -8.402 1.00 0.00 C ATOM 807 OD1 ASP A 131 -0.209 11.499 -9.454 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.568 10.269 -7.720 1.00 0.00 O ATOM 0 H ASP A 131 2.385 8.907 -8.607 1.00 0.00 H new ATOM 0 HA ASP A 131 2.416 11.543 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.715 10.736 -6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.587 12.362 -7.609 1.00 0.00 H new ATOM 813 N GLY A 132 4.720 10.276 -7.958 1.00 0.00 N ATOM 814 CA GLY A 132 6.034 10.345 -7.324 1.00 0.00 C ATOM 815 C GLY A 132 5.967 10.764 -5.857 1.00 0.00 C ATOM 816 O GLY A 132 6.992 10.842 -5.178 1.00 0.00 O ATOM 0 H GLY A 132 4.417 9.323 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.518 9.371 -7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.658 11.052 -7.870 1.00 0.00 H new ATOM 820 N ASP A 133 4.766 11.036 -5.374 1.00 0.00 N ATOM 821 CA ASP A 133 4.584 11.456 -3.985 1.00 0.00 C ATOM 822 C ASP A 133 5.456 10.626 -3.040 1.00 0.00 C ATOM 823 O ASP A 133 5.830 11.091 -1.964 1.00 0.00 O ATOM 824 CB ASP A 133 3.117 11.309 -3.589 1.00 0.00 C ATOM 825 CG ASP A 133 2.246 12.111 -4.546 1.00 0.00 C ATOM 826 OD1 ASP A 133 2.743 13.082 -5.093 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.097 11.743 -4.721 1.00 0.00 O ATOM 0 H ASP A 133 3.904 10.976 -5.916 1.00 0.00 H new ATOM 0 HA ASP A 133 4.885 12.500 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.827 10.258 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.969 11.658 -2.567 1.00 0.00 H new ATOM 832 N GLY A 134 5.775 9.398 -3.449 1.00 0.00 N ATOM 833 CA GLY A 134 6.602 8.508 -2.628 1.00 0.00 C ATOM 834 C GLY A 134 5.729 7.631 -1.741 1.00 0.00 C ATOM 835 O GLY A 134 6.226 6.810 -0.970 1.00 0.00 O ATOM 0 H GLY A 134 5.476 8.997 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.221 7.882 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.279 9.099 -2.011 1.00 0.00 H new ATOM 839 N GLN A 135 4.419 7.800 -1.882 1.00 0.00 N ATOM 840 CA GLN A 135 3.450 7.017 -1.119 1.00 0.00 C ATOM 841 C GLN A 135 2.276 6.654 -2.005 1.00 0.00 C ATOM 842 O GLN A 135 2.027 7.303 -3.023 1.00 0.00 O ATOM 843 CB GLN A 135 2.918 7.809 0.073 1.00 0.00 C ATOM 844 CG GLN A 135 4.059 8.483 0.816 1.00 0.00 C ATOM 845 CD GLN A 135 4.535 9.711 0.050 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.790 10.267 -0.758 1.00 0.00 O ATOM 847 NE2 GLN A 135 5.738 10.170 0.259 1.00 0.00 N ATOM 0 H GLN A 135 4.000 8.476 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 135 3.956 6.121 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.206 8.560 -0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.379 7.144 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.731 8.773 1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.884 7.782 0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.351 9.706 0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 135 6.065 10.993 -0.248 1.00 0.00 H new ATOM 856 N ILE A 136 1.539 5.627 -1.603 1.00 0.00 N ATOM 857 CA ILE A 136 0.370 5.200 -2.358 1.00 0.00 C ATOM 858 C ILE A 136 -0.872 5.672 -1.618 1.00 0.00 C ATOM 859 O ILE A 136 -1.162 5.215 -0.514 1.00 0.00 O ATOM 860 CB ILE A 136 0.376 3.660 -2.513 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.236 3.265 -3.728 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.054 3.121 -2.718 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.622 3.905 -3.620 1.00 0.00 C ATOM 0 H ILE A 136 1.728 5.078 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 136 0.381 5.632 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 136 0.790 3.229 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.331 2.180 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.749 3.587 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.022 2.037 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.669 3.383 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.483 3.561 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.223 3.620 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.521 4.990 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 136 3.111 3.562 -2.708 1.00 0.00 H new ATOM 875 N ASN A 137 -1.615 6.570 -2.249 1.00 0.00 N ATOM 876 CA ASN A 137 -2.838 7.074 -1.658 1.00 0.00 C ATOM 877 C ASN A 137 -3.940 6.065 -1.935 1.00 0.00 C ATOM 878 O ASN A 137 -3.746 5.144 -2.728 1.00 0.00 O ATOM 879 CB ASN A 137 -3.185 8.438 -2.257 1.00 0.00 C ATOM 880 CG ASN A 137 -4.435 9.002 -1.591 1.00 0.00 C ATOM 881 OD1 ASN A 137 -5.554 8.691 -2.000 1.00 0.00 O ATOM 882 ND2 ASN A 137 -4.310 9.818 -0.579 1.00 0.00 N ATOM 0 H ASN A 137 -1.391 6.960 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.720 7.206 -0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.350 9.126 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.348 8.341 -3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.140 10.199 -0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.382 10.074 -0.242 1.00 0.00 H new ATOM 889 N TYR A 138 -5.077 6.201 -1.279 1.00 0.00 N ATOM 890 CA TYR A 138 -6.149 5.239 -1.489 1.00 0.00 C ATOM 891 C TYR A 138 -6.520 5.159 -2.970 1.00 0.00 C ATOM 892 O TYR A 138 -6.621 4.068 -3.527 1.00 0.00 O ATOM 893 CB TYR A 138 -7.380 5.619 -0.669 1.00 0.00 C ATOM 894 CG TYR A 138 -8.480 4.638 -0.993 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.335 3.300 -0.621 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.622 5.056 -1.686 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.330 2.376 -0.938 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.619 4.129 -2.007 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.474 2.789 -1.632 1.00 0.00 C ATOM 900 OH TYR A 138 -11.457 1.873 -1.949 1.00 0.00 O ATOM 0 H TYR A 138 -5.283 6.946 -0.613 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.793 4.262 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.150 5.595 0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.695 6.636 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.452 2.981 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.733 6.091 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.218 1.342 -0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.500 4.447 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.872 2.120 -2.802 1.00 0.00 H new ATOM 910 N GLU A 139 -6.720 6.307 -3.606 1.00 0.00 N ATOM 911 CA GLU A 139 -7.085 6.319 -5.020 1.00 0.00 C ATOM 912 C GLU A 139 -6.072 5.524 -5.841 1.00 0.00 C ATOM 913 O GLU A 139 -6.447 4.722 -6.697 1.00 0.00 O ATOM 914 CB GLU A 139 -7.159 7.762 -5.529 1.00 0.00 C ATOM 915 CG GLU A 139 -5.783 8.417 -5.414 1.00 0.00 C ATOM 916 CD GLU A 139 -5.905 9.928 -5.575 1.00 0.00 C ATOM 917 OE1 GLU A 139 -6.777 10.357 -6.312 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.124 10.635 -4.959 1.00 0.00 O ATOM 0 H GLU A 139 -6.638 7.228 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.063 5.852 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.494 7.776 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.891 8.325 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.340 8.182 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.116 8.015 -6.177 1.00 0.00 H new ATOM 925 N GLU A 140 -4.790 5.747 -5.572 1.00 0.00 N ATOM 926 CA GLU A 140 -3.737 5.038 -6.288 1.00 0.00 C ATOM 927 C GLU A 140 -3.751 3.562 -5.899 1.00 0.00 C ATOM 928 O GLU A 140 -3.530 2.685 -6.735 1.00 0.00 O ATOM 929 CB GLU A 140 -2.382 5.668 -5.960 1.00 0.00 C ATOM 930 CG GLU A 140 -1.311 5.167 -6.934 1.00 0.00 C ATOM 931 CD GLU A 140 -0.037 5.985 -6.760 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.659 5.763 -5.784 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.225 6.824 -7.607 1.00 0.00 O ATOM 0 H GLU A 140 -4.457 6.407 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.909 5.115 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.455 6.754 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.097 5.421 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.105 4.112 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.671 5.250 -7.960 1.00 0.00 H new ATOM 940 N PHE A 141 -4.040 3.298 -4.625 1.00 0.00 N ATOM 941 CA PHE A 141 -4.110 1.924 -4.136 1.00 0.00 C ATOM 942 C PHE A 141 -5.190 1.186 -4.907 1.00 0.00 C ATOM 943 O PHE A 141 -5.018 0.041 -5.323 1.00 0.00 O ATOM 944 CB PHE A 141 -4.457 1.909 -2.645 1.00 0.00 C ATOM 945 CG PHE A 141 -4.317 0.505 -2.093 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.043 -0.030 -1.866 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.454 -0.259 -1.789 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.903 -1.313 -1.337 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.309 -1.546 -1.258 1.00 0.00 C ATOM 950 CZ PHE A 141 -4.035 -2.072 -1.032 1.00 0.00 C ATOM 0 H PHE A 141 -4.228 4.011 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.144 1.441 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.799 2.589 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.476 2.267 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.165 0.553 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.440 0.145 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.918 -1.720 -1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.184 -2.134 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.925 -3.065 -0.622 1.00 0.00 H new ATOM 960 N VAL A 142 -6.306 1.875 -5.098 1.00 0.00 N ATOM 961 CA VAL A 142 -7.433 1.323 -5.828 1.00 0.00 C ATOM 962 C VAL A 142 -7.031 1.058 -7.277 1.00 0.00 C ATOM 963 O VAL A 142 -7.422 0.048 -7.862 1.00 0.00 O ATOM 964 CB VAL A 142 -8.617 2.299 -5.763 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.714 1.863 -6.740 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.191 2.306 -4.343 1.00 0.00 C ATOM 0 H VAL A 142 -6.453 2.824 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.734 0.378 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.269 3.296 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.549 2.562 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.315 1.853 -7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.060 0.864 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.032 2.998 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.531 1.303 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.420 2.622 -3.640 1.00 0.00 H new ATOM 976 N LYS A 143 -6.258 1.975 -7.854 1.00 0.00 N ATOM 977 CA LYS A 143 -5.820 1.836 -9.239 1.00 0.00 C ATOM 978 C LYS A 143 -5.036 0.540 -9.451 1.00 0.00 C ATOM 979 O LYS A 143 -5.311 -0.208 -10.389 1.00 0.00 O ATOM 980 CB LYS A 143 -4.924 3.028 -9.598 1.00 0.00 C ATOM 981 CG LYS A 143 -4.837 3.185 -11.121 1.00 0.00 C ATOM 982 CD LYS A 143 -3.962 4.398 -11.480 1.00 0.00 C ATOM 983 CE LYS A 143 -4.704 5.710 -11.194 1.00 0.00 C ATOM 984 NZ LYS A 143 -3.975 6.837 -11.842 1.00 0.00 N ATOM 0 H LYS A 143 -5.924 2.818 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.703 1.808 -9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.323 3.939 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -3.927 2.881 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -4.418 2.281 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -5.836 3.311 -11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -3.036 4.366 -10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -3.686 4.354 -12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -5.724 5.655 -11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -4.773 5.876 -10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -4.474 7.729 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -3.010 6.892 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -3.932 6.678 -12.869 1.00 0.00 H new ATOM 998 N VAL A 144 -4.061 0.274 -8.581 1.00 0.00 N ATOM 999 CA VAL A 144 -3.261 -0.941 -8.705 1.00 0.00 C ATOM 1000 C VAL A 144 -4.063 -2.177 -8.304 1.00 0.00 C ATOM 1001 O VAL A 144 -3.953 -3.231 -8.930 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.004 -0.833 -7.835 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.099 0.276 -8.377 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -2.397 -0.499 -6.393 1.00 0.00 C ATOM 0 H VAL A 144 -3.810 0.874 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.972 -1.048 -9.751 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.474 -1.785 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.205 0.352 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.811 0.042 -9.402 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -1.635 1.225 -8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -1.499 -0.424 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -2.932 0.451 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -3.040 -1.286 -6.000 1.00 0.00 H new ATOM 1014 N MET A 145 -4.866 -2.041 -7.255 1.00 0.00 N ATOM 1015 CA MET A 145 -5.677 -3.159 -6.783 1.00 0.00 C ATOM 1016 C MET A 145 -6.799 -3.473 -7.771 1.00 0.00 C ATOM 1017 O MET A 145 -7.035 -4.635 -8.103 1.00 0.00 O ATOM 1018 CB MET A 145 -6.253 -2.834 -5.395 1.00 0.00 C ATOM 1019 CG MET A 145 -5.217 -3.152 -4.314 1.00 0.00 C ATOM 1020 SD MET A 145 -4.929 -4.938 -4.232 1.00 0.00 S ATOM 1021 CE MET A 145 -3.278 -4.866 -3.493 1.00 0.00 C ATOM 0 H MET A 145 -4.973 -1.179 -6.720 1.00 0.00 H new ATOM 0 HA MET A 145 -5.043 -4.043 -6.706 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.532 -1.782 -5.345 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.160 -3.413 -5.223 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.283 -2.635 -4.532 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.565 -2.787 -3.348 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.531 -5.111 -4.248 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.093 -3.862 -3.112 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.215 -5.582 -2.674 1.00 0.00 H new ATOM 1031 N MET A 146 -7.486 -2.437 -8.234 1.00 0.00 N ATOM 1032 CA MET A 146 -8.580 -2.625 -9.180 1.00 0.00 C ATOM 1033 C MET A 146 -8.051 -3.133 -10.519 1.00 0.00 C ATOM 1034 O MET A 146 -8.663 -3.993 -11.152 1.00 0.00 O ATOM 1035 CB MET A 146 -9.327 -1.304 -9.376 1.00 0.00 C ATOM 1036 CG MET A 146 -10.515 -1.519 -10.315 1.00 0.00 C ATOM 1037 SD MET A 146 -11.465 0.017 -10.442 1.00 0.00 S ATOM 1038 CE MET A 146 -12.517 -0.247 -8.992 1.00 0.00 C ATOM 0 H MET A 146 -7.309 -1.467 -7.974 1.00 0.00 H new ATOM 0 HA MET A 146 -9.267 -3.369 -8.778 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.675 -0.925 -8.415 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.655 -0.553 -9.790 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.163 -1.825 -11.300 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.149 -2.322 -9.939 1.00 0.00 H new ATOM 0 HE1 MET A 146 -13.221 0.580 -8.897 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.068 -1.181 -9.107 1.00 0.00 H new ATOM 0 HE3 MET A 146 -11.897 -0.300 -8.097 1.00 0.00 H new