USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 417 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 Single : A 95 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.469) USER MOD Single : A 100 ASN : amide:sc= -0.0714 K(o=-0.071,f=-1.3!) USER MOD Single : A 111 LYS NZ :NH3+ -152:sc= 1.2 (180deg=1.09) USER MOD Single : A 114 MET CE :methyl -133:sc= -0.648 (180deg=-4.92!) USER MOD Single : A 123 THR OG1 : rot 38:sc= -0.141 USER MOD Single : A 131 MET CE :methyl -154:sc= 0 (180deg=-0.623) USER MOD Single : A 132 LYS NZ :NH3+ 162:sc= 2.38 (180deg=1.86) USER MOD Single : A 139 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.1) USER MOD Single : A 148 MET CE :methyl -176:sc= -0.118 (180deg=-0.175) USER MOD Single : A 152 LYS NZ :NH3+ 143:sc= 0.803 (180deg=0.123) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -3.894 -11.861 -0.102 1.00 0.00 N ATOM 32 CA GLU A 89 -3.529 -10.859 0.939 1.00 0.00 C ATOM 33 C GLU A 89 -3.429 -9.388 0.420 1.00 0.00 C ATOM 34 O GLU A 89 -4.051 -8.481 0.981 1.00 0.00 O ATOM 35 CB GLU A 89 -2.241 -11.360 1.653 1.00 0.00 C ATOM 36 CG GLU A 89 -1.813 -10.537 2.897 1.00 0.00 C ATOM 37 CD GLU A 89 -0.485 -10.963 3.499 1.00 0.00 C ATOM 38 OE1 GLU A 89 0.567 -10.489 3.020 1.00 0.00 O ATOM 39 OE2 GLU A 89 -0.488 -11.756 4.464 1.00 0.00 O ATOM 0 HA GLU A 89 -4.344 -10.792 1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.393 -12.396 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.421 -11.355 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.752 -9.485 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.588 -10.621 3.659 1.00 0.00 H new ATOM 46 N ILE A 90 -2.675 -9.201 -0.671 1.00 0.00 N ATOM 47 CA ILE A 90 -2.455 -7.894 -1.323 1.00 0.00 C ATOM 48 C ILE A 90 -3.717 -7.384 -2.074 1.00 0.00 C ATOM 49 O ILE A 90 -4.025 -6.205 -1.913 1.00 0.00 O ATOM 50 CB ILE A 90 -1.188 -7.965 -2.238 1.00 0.00 C ATOM 51 CG1 ILE A 90 0.128 -8.357 -1.487 1.00 0.00 C ATOM 52 CG2 ILE A 90 -1.021 -6.697 -3.122 1.00 0.00 C ATOM 53 CD1 ILE A 90 0.451 -9.859 -1.411 1.00 0.00 C ATOM 0 H ILE A 90 -2.189 -9.967 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.269 -7.150 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.377 -8.798 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.962 -7.852 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.070 -7.968 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.127 -6.798 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.894 -6.584 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.925 -5.819 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.385 -10.003 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.355 -10.379 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.552 -10.261 -2.419 1.00 0.00 H new ATOM 65 N LEU A 91 -4.413 -8.181 -2.914 1.00 0.00 N ATOM 66 CA LEU A 91 -5.636 -7.707 -3.619 1.00 0.00 C ATOM 67 C LEU A 91 -6.708 -7.264 -2.594 1.00 0.00 C ATOM 68 O LEU A 91 -7.118 -6.105 -2.660 1.00 0.00 O ATOM 69 CB LEU A 91 -6.140 -8.718 -4.694 1.00 0.00 C ATOM 70 CG LEU A 91 -7.135 -9.872 -4.353 1.00 0.00 C ATOM 71 CD1 LEU A 91 -8.607 -9.409 -4.468 1.00 0.00 C ATOM 72 CD2 LEU A 91 -6.950 -11.096 -5.267 1.00 0.00 C ATOM 0 H LEU A 91 -4.157 -9.146 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.383 -6.820 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.604 -8.128 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.254 -9.186 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.910 -10.154 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.270 -10.239 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.785 -8.586 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.805 -9.075 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.666 -11.870 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.116 -10.804 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.937 -11.482 -5.157 1.00 0.00 H new ATOM 84 N ARG A 92 -7.072 -8.095 -1.588 1.00 0.00 N ATOM 85 CA ARG A 92 -8.071 -7.676 -0.579 1.00 0.00 C ATOM 86 C ARG A 92 -7.537 -6.482 0.283 1.00 0.00 C ATOM 87 O ARG A 92 -8.252 -5.477 0.336 1.00 0.00 O ATOM 88 CB ARG A 92 -8.597 -8.933 0.176 1.00 0.00 C ATOM 89 CG ARG A 92 -9.618 -9.774 -0.666 1.00 0.00 C ATOM 90 CD ARG A 92 -9.246 -11.258 -0.855 1.00 0.00 C ATOM 91 NE ARG A 92 -9.947 -11.875 -2.022 1.00 0.00 N ATOM 92 CZ ARG A 92 -9.515 -12.960 -2.677 1.00 0.00 C ATOM 93 NH1 ARG A 92 -8.646 -13.793 -2.189 1.00 0.00 N ATOM 94 NH2 ARG A 92 -9.979 -13.216 -3.866 1.00 0.00 N ATOM 0 H ARG A 92 -6.699 -9.035 -1.455 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.959 -7.247 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.752 -9.565 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.073 -8.619 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.594 -9.719 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.721 -9.314 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.168 -11.345 -0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.496 -11.811 0.050 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.813 -11.440 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.256 -13.637 -1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.354 -14.604 -2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.665 -12.592 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.656 -14.040 -4.373 1.00 0.00 H new ATOM 108 N ALA A 93 -6.290 -6.485 0.819 1.00 0.00 N ATOM 109 CA ALA A 93 -5.780 -5.334 1.605 1.00 0.00 C ATOM 110 C ALA A 93 -5.517 -4.056 0.771 1.00 0.00 C ATOM 111 O ALA A 93 -6.205 -3.082 1.062 1.00 0.00 O ATOM 112 CB ALA A 93 -4.558 -5.743 2.449 1.00 0.00 C ATOM 0 H ALA A 93 -5.630 -7.257 0.724 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.587 -5.053 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.203 -4.882 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.841 -6.539 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.764 -6.097 1.792 1.00 0.00 H new ATOM 118 N PHE A 94 -4.611 -4.030 -0.235 1.00 0.00 N ATOM 119 CA PHE A 94 -4.368 -2.818 -1.086 1.00 0.00 C ATOM 120 C PHE A 94 -5.634 -2.345 -1.831 1.00 0.00 C ATOM 121 O PHE A 94 -5.916 -1.144 -1.816 1.00 0.00 O ATOM 122 CB PHE A 94 -3.261 -3.010 -2.182 1.00 0.00 C ATOM 123 CG PHE A 94 -2.830 -1.730 -2.978 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.700 -1.229 -3.955 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.697 -0.976 -2.652 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.526 0.042 -4.473 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.438 0.238 -3.297 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.384 0.766 -4.184 1.00 0.00 C ATOM 0 H PHE A 94 -4.031 -4.831 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.039 -2.078 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.375 -3.427 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.615 -3.752 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.516 -1.842 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.016 -1.335 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.287 0.472 -5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.514 0.765 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.223 1.732 -4.639 1.00 0.00 H new ATOM 138 N LYS A 95 -6.337 -3.248 -2.546 1.00 0.00 N ATOM 139 CA LYS A 95 -7.528 -2.834 -3.326 1.00 0.00 C ATOM 140 C LYS A 95 -8.701 -2.391 -2.347 1.00 0.00 C ATOM 141 O LYS A 95 -9.519 -1.585 -2.796 1.00 0.00 O ATOM 142 CB LYS A 95 -7.762 -3.863 -4.482 1.00 0.00 C ATOM 143 CG LYS A 95 -6.486 -4.295 -5.323 1.00 0.00 C ATOM 144 CD LYS A 95 -6.810 -5.305 -6.452 1.00 0.00 C ATOM 145 CE LYS A 95 -5.545 -5.908 -7.111 1.00 0.00 C ATOM 146 NZ LYS A 95 -5.841 -7.097 -7.950 1.00 0.00 N ATOM 0 H LYS A 95 -6.112 -4.241 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.411 -1.910 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.207 -4.761 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.495 -3.441 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.029 -3.407 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.749 -4.735 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.420 -6.112 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.408 -4.807 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.064 -5.147 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.834 -6.186 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.028 -7.745 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.681 -7.585 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.022 -6.795 -8.929 1.00 0.00 H new ATOM 160 N VAL A 96 -8.790 -2.831 -1.042 1.00 0.00 N ATOM 161 CA VAL A 96 -9.731 -2.198 -0.047 1.00 0.00 C ATOM 162 C VAL A 96 -9.186 -0.768 0.271 1.00 0.00 C ATOM 163 O VAL A 96 -9.957 0.196 0.283 1.00 0.00 O ATOM 164 CB VAL A 96 -9.880 -2.962 1.326 1.00 0.00 C ATOM 165 CG1 VAL A 96 -10.358 -2.179 2.587 1.00 0.00 C ATOM 166 CG2 VAL A 96 -10.877 -4.067 1.115 1.00 0.00 C ATOM 0 H VAL A 96 -8.237 -3.600 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.717 -2.211 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.857 -3.255 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.404 -2.856 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.657 -1.372 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.347 -1.761 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.008 -4.621 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.832 -3.641 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.514 -4.741 0.339 1.00 0.00 H new ATOM 176 N PHE A 97 -7.868 -0.682 0.566 1.00 0.00 N ATOM 177 CA PHE A 97 -7.145 0.550 0.888 1.00 0.00 C ATOM 178 C PHE A 97 -7.389 1.756 -0.098 1.00 0.00 C ATOM 179 O PHE A 97 -7.393 2.912 0.331 1.00 0.00 O ATOM 180 CB PHE A 97 -5.643 0.138 1.001 1.00 0.00 C ATOM 181 CG PHE A 97 -4.876 0.826 2.106 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.551 2.154 1.894 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.501 0.196 3.301 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.910 2.872 2.872 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.891 0.945 4.313 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.618 2.298 4.102 1.00 0.00 C ATOM 0 H PHE A 97 -7.265 -1.505 0.584 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.524 0.962 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.588 -0.939 1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.151 0.349 0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.803 2.627 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.682 -0.860 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.629 3.897 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.633 0.479 5.252 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.183 2.894 4.890 1.00 0.00 H new ATOM 196 N ASP A 98 -7.587 1.451 -1.404 1.00 0.00 N ATOM 197 CA ASP A 98 -7.925 2.391 -2.495 1.00 0.00 C ATOM 198 C ASP A 98 -9.378 2.941 -2.227 1.00 0.00 C ATOM 199 O ASP A 98 -10.386 2.279 -2.514 1.00 0.00 O ATOM 200 CB ASP A 98 -7.660 1.576 -3.810 1.00 0.00 C ATOM 201 CG ASP A 98 -8.611 1.736 -4.986 1.00 0.00 C ATOM 202 OD1 ASP A 98 -9.142 2.840 -5.245 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.804 0.733 -5.711 1.00 0.00 O ATOM 0 H ASP A 98 -7.511 0.491 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.332 3.302 -2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.660 1.833 -4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.643 0.519 -3.543 1.00 0.00 H new ATOM 208 N ALA A 99 -9.468 4.127 -1.589 1.00 0.00 N ATOM 209 CA ALA A 99 -10.771 4.795 -1.286 1.00 0.00 C ATOM 210 C ALA A 99 -11.500 5.285 -2.576 1.00 0.00 C ATOM 211 O ALA A 99 -12.698 5.037 -2.728 1.00 0.00 O ATOM 212 CB ALA A 99 -10.571 5.919 -0.255 1.00 0.00 C ATOM 0 H ALA A 99 -8.654 4.652 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.434 4.053 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.529 6.395 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.165 5.500 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.877 6.659 -0.654 1.00 0.00 H new ATOM 218 N ASN A 100 -10.750 5.953 -3.481 1.00 0.00 N ATOM 219 CA ASN A 100 -11.244 6.432 -4.816 1.00 0.00 C ATOM 220 C ASN A 100 -12.044 5.378 -5.685 1.00 0.00 C ATOM 221 O ASN A 100 -12.849 5.825 -6.509 1.00 0.00 O ATOM 222 CB ASN A 100 -10.050 7.063 -5.640 1.00 0.00 C ATOM 223 CG ASN A 100 -10.164 7.180 -7.185 1.00 0.00 C ATOM 224 OD1 ASN A 100 -9.637 6.312 -7.883 1.00 0.00 O ATOM 225 ND2 ASN A 100 -10.863 8.153 -7.767 1.00 0.00 N ATOM 0 H ASN A 100 -9.771 6.183 -3.314 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.992 7.190 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -9.877 8.065 -5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -9.157 6.477 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.958 8.175 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.303 8.876 -7.197 1.00 0.00 H new ATOM 232 N GLY A 101 -11.879 4.041 -5.532 1.00 0.00 N ATOM 233 CA GLY A 101 -12.577 3.056 -6.400 1.00 0.00 C ATOM 234 C GLY A 101 -11.942 2.752 -7.795 1.00 0.00 C ATOM 235 O GLY A 101 -12.562 2.045 -8.591 1.00 0.00 O ATOM 0 H GLY A 101 -11.276 3.622 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.652 2.117 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.594 3.412 -6.563 1.00 0.00 H new ATOM 239 N ASP A 102 -10.732 3.269 -8.081 1.00 0.00 N ATOM 240 CA ASP A 102 -9.943 3.009 -9.303 1.00 0.00 C ATOM 241 C ASP A 102 -8.502 2.797 -8.802 1.00 0.00 C ATOM 242 O ASP A 102 -8.064 3.845 -8.328 1.00 0.00 O ATOM 243 CB ASP A 102 -9.964 4.147 -10.397 1.00 0.00 C ATOM 244 CG ASP A 102 -8.658 4.535 -11.189 1.00 0.00 C ATOM 245 OD1 ASP A 102 -7.541 4.674 -10.594 1.00 0.00 O ATOM 246 OD2 ASP A 102 -8.769 4.694 -12.423 1.00 0.00 O ATOM 0 H ASP A 102 -10.257 3.906 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.380 2.155 -9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.714 3.866 -11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.322 5.053 -9.908 1.00 0.00 H new ATOM 251 N GLY A 103 -8.045 1.677 -8.243 1.00 0.00 N ATOM 252 CA GLY A 103 -6.590 1.432 -8.063 1.00 0.00 C ATOM 253 C GLY A 103 -5.531 2.326 -7.393 1.00 0.00 C ATOM 254 O GLY A 103 -4.508 1.792 -6.963 1.00 0.00 O ATOM 0 H GLY A 103 -8.644 0.924 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.531 0.483 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.210 1.257 -9.070 1.00 0.00 H new ATOM 258 N VAL A 104 -5.723 3.656 -7.371 1.00 0.00 N ATOM 259 CA VAL A 104 -4.717 4.598 -6.801 1.00 0.00 C ATOM 260 C VAL A 104 -5.109 5.127 -5.379 1.00 0.00 C ATOM 261 O VAL A 104 -6.244 5.527 -5.106 1.00 0.00 O ATOM 262 CB VAL A 104 -4.357 5.780 -7.768 1.00 0.00 C ATOM 263 CG1 VAL A 104 -2.949 6.363 -7.532 1.00 0.00 C ATOM 264 CG2 VAL A 104 -4.322 5.385 -9.254 1.00 0.00 C ATOM 0 H VAL A 104 -6.559 4.112 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.813 4.001 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.152 6.492 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.769 7.176 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.879 6.743 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.203 5.583 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.066 6.257 -9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.574 4.607 -9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.301 5.011 -9.554 1.00 0.00 H new ATOM 274 N ILE A 105 -4.079 5.131 -4.516 1.00 0.00 N ATOM 275 CA ILE A 105 -4.130 5.586 -3.096 1.00 0.00 C ATOM 276 C ILE A 105 -3.314 6.903 -2.919 1.00 0.00 C ATOM 277 O ILE A 105 -2.139 6.976 -3.283 1.00 0.00 O ATOM 278 CB ILE A 105 -3.495 4.545 -2.096 1.00 0.00 C ATOM 279 CG1 ILE A 105 -4.168 3.149 -2.117 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.519 5.038 -0.609 1.00 0.00 C ATOM 281 CD1 ILE A 105 -3.308 2.080 -1.435 1.00 0.00 C ATOM 0 H ILE A 105 -3.150 4.808 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.188 5.719 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.471 4.456 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.135 3.207 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.358 2.855 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.069 4.280 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.955 5.967 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.550 5.210 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.822 1.120 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.350 2.001 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.139 2.358 -0.395 1.00 0.00 H new ATOM 293 N ASP A 106 -3.926 7.869 -2.217 1.00 0.00 N ATOM 294 CA ASP A 106 -3.301 9.172 -1.858 1.00 0.00 C ATOM 295 C ASP A 106 -3.018 9.269 -0.316 1.00 0.00 C ATOM 296 O ASP A 106 -3.398 8.392 0.474 1.00 0.00 O ATOM 297 CB ASP A 106 -4.174 10.296 -2.458 1.00 0.00 C ATOM 298 CG ASP A 106 -3.586 11.705 -2.427 1.00 0.00 C ATOM 299 OD1 ASP A 106 -2.735 12.025 -3.285 1.00 0.00 O ATOM 300 OD2 ASP A 106 -3.953 12.486 -1.524 1.00 0.00 O ATOM 0 H ASP A 106 -4.882 7.776 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.307 9.278 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.394 10.041 -3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.125 10.311 -1.925 1.00 0.00 H new ATOM 305 N PHE A 107 -2.321 10.342 0.119 1.00 0.00 N ATOM 306 CA PHE A 107 -1.967 10.547 1.552 1.00 0.00 C ATOM 307 C PHE A 107 -3.189 10.740 2.498 1.00 0.00 C ATOM 308 O PHE A 107 -3.179 10.108 3.554 1.00 0.00 O ATOM 309 CB PHE A 107 -0.907 11.670 1.731 1.00 0.00 C ATOM 310 CG PHE A 107 0.005 11.448 2.963 1.00 0.00 C ATOM 311 CD1 PHE A 107 -0.400 11.868 4.238 1.00 0.00 C ATOM 312 CD2 PHE A 107 1.205 10.738 2.830 1.00 0.00 C ATOM 313 CE1 PHE A 107 0.381 11.580 5.355 1.00 0.00 C ATOM 314 CE2 PHE A 107 1.985 10.454 3.950 1.00 0.00 C ATOM 315 CZ PHE A 107 1.571 10.873 5.210 1.00 0.00 C ATOM 0 H PHE A 107 -1.990 11.083 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.516 9.607 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.290 11.726 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.415 12.629 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.322 12.418 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.528 10.408 1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.063 11.906 6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 107 2.911 9.909 3.839 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.174 10.649 6.078 1.00 0.00 H new ATOM 325 N ASP A 108 -4.210 11.567 2.166 1.00 0.00 N ATOM 326 CA ASP A 108 -5.435 11.716 3.033 1.00 0.00 C ATOM 327 C ASP A 108 -6.224 10.357 3.189 1.00 0.00 C ATOM 328 O ASP A 108 -6.566 9.962 4.319 1.00 0.00 O ATOM 329 CB ASP A 108 -6.358 12.881 2.576 1.00 0.00 C ATOM 330 CG ASP A 108 -5.820 14.280 2.879 1.00 0.00 C ATOM 331 OD1 ASP A 108 -5.647 14.593 4.081 1.00 0.00 O ATOM 332 OD2 ASP A 108 -5.607 15.077 1.945 1.00 0.00 O ATOM 0 H ASP A 108 -4.224 12.138 1.321 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.073 11.987 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.524 12.795 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.329 12.768 3.058 1.00 0.00 H new ATOM 337 N GLU A 109 -6.459 9.641 2.060 1.00 0.00 N ATOM 338 CA GLU A 109 -7.091 8.288 2.031 1.00 0.00 C ATOM 339 C GLU A 109 -6.384 7.284 3.016 1.00 0.00 C ATOM 340 O GLU A 109 -7.033 6.673 3.865 1.00 0.00 O ATOM 341 CB GLU A 109 -7.003 7.685 0.589 1.00 0.00 C ATOM 342 CG GLU A 109 -7.663 8.400 -0.614 1.00 0.00 C ATOM 343 CD GLU A 109 -7.494 7.705 -1.963 1.00 0.00 C ATOM 344 OE1 GLU A 109 -7.512 6.457 -2.024 1.00 0.00 O ATOM 345 OE2 GLU A 109 -7.360 8.419 -2.975 1.00 0.00 O ATOM 0 H GLU A 109 -6.214 9.987 1.132 1.00 0.00 H new ATOM 0 HA GLU A 109 -8.128 8.419 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.945 7.574 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.426 6.682 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.729 8.508 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.250 9.406 -0.688 1.00 0.00 H new ATOM 352 N PHE A 110 -5.038 7.208 2.915 1.00 0.00 N ATOM 353 CA PHE A 110 -4.146 6.335 3.731 1.00 0.00 C ATOM 354 C PHE A 110 -4.213 6.761 5.218 1.00 0.00 C ATOM 355 O PHE A 110 -4.533 5.924 6.054 1.00 0.00 O ATOM 356 CB PHE A 110 -2.689 6.415 3.141 1.00 0.00 C ATOM 357 CG PHE A 110 -1.635 5.315 3.420 1.00 0.00 C ATOM 358 CD1 PHE A 110 -1.204 4.992 4.712 1.00 0.00 C ATOM 359 CD2 PHE A 110 -1.080 4.625 2.330 1.00 0.00 C ATOM 360 CE1 PHE A 110 -0.267 3.975 4.911 1.00 0.00 C ATOM 361 CE2 PHE A 110 -0.152 3.609 2.531 1.00 0.00 C ATOM 362 CZ PHE A 110 0.259 3.287 3.818 1.00 0.00 C ATOM 0 H PHE A 110 -4.519 7.770 2.241 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.470 5.295 3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.791 6.487 2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.261 7.357 3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.598 5.532 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.377 4.886 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.050 3.722 5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.249 3.070 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.986 2.504 3.972 1.00 0.00 H new ATOM 372 N LYS A 111 -3.996 8.057 5.526 1.00 0.00 N ATOM 373 CA LYS A 111 -4.112 8.637 6.890 1.00 0.00 C ATOM 374 C LYS A 111 -5.421 8.209 7.644 1.00 0.00 C ATOM 375 O LYS A 111 -5.332 7.726 8.777 1.00 0.00 O ATOM 376 CB LYS A 111 -3.966 10.178 6.632 1.00 0.00 C ATOM 377 CG LYS A 111 -4.206 11.212 7.764 1.00 0.00 C ATOM 378 CD LYS A 111 -4.653 12.606 7.264 1.00 0.00 C ATOM 379 CE LYS A 111 -6.169 12.680 6.980 1.00 0.00 C ATOM 380 NZ LYS A 111 -6.521 14.023 6.447 1.00 0.00 N ATOM 0 H LYS A 111 -3.730 8.747 4.823 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.352 8.271 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.955 10.343 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.649 10.430 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.964 10.821 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.288 11.322 8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.390 13.356 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.105 12.854 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.451 11.909 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.729 12.484 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.506 14.248 6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.888 14.737 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.415 14.025 5.412 1.00 0.00 H new ATOM 394 N PHE A 112 -6.599 8.340 7.002 1.00 0.00 N ATOM 395 CA PHE A 112 -7.892 7.902 7.594 1.00 0.00 C ATOM 396 C PHE A 112 -8.066 6.338 7.696 1.00 0.00 C ATOM 397 O PHE A 112 -8.387 5.818 8.767 1.00 0.00 O ATOM 398 CB PHE A 112 -9.029 8.590 6.766 1.00 0.00 C ATOM 399 CG PHE A 112 -10.460 8.050 6.976 1.00 0.00 C ATOM 400 CD1 PHE A 112 -11.124 8.276 8.185 1.00 0.00 C ATOM 401 CD2 PHE A 112 -11.041 7.208 6.018 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.362 7.686 8.427 1.00 0.00 C ATOM 403 CE2 PHE A 112 -12.278 6.618 6.263 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.939 6.859 7.465 1.00 0.00 C ATOM 0 H PHE A 112 -6.688 8.746 6.071 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.931 8.214 8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -9.028 9.654 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.783 8.500 5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.675 8.911 8.935 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -10.528 7.016 5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -12.875 7.869 9.360 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -12.725 5.973 5.521 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.901 6.404 7.652 1.00 0.00 H new ATOM 414 N ILE A 113 -7.886 5.635 6.566 1.00 0.00 N ATOM 415 CA ILE A 113 -8.085 4.163 6.410 1.00 0.00 C ATOM 416 C ILE A 113 -7.077 3.183 7.078 1.00 0.00 C ATOM 417 O ILE A 113 -7.442 2.036 7.346 1.00 0.00 O ATOM 418 CB ILE A 113 -8.262 3.906 4.866 1.00 0.00 C ATOM 419 CG1 ILE A 113 -9.484 3.003 4.577 1.00 0.00 C ATOM 420 CG2 ILE A 113 -7.013 3.454 4.106 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.919 2.925 3.105 1.00 0.00 C ATOM 0 H ILE A 113 -7.587 6.081 5.698 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.966 3.909 6.999 1.00 0.00 H new ATOM 0 HB ILE A 113 -8.454 4.897 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -9.258 1.995 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.327 3.363 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.260 3.310 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.237 4.215 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.651 2.515 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.783 2.266 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.184 3.921 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -9.099 2.532 2.504 1.00 0.00 H new ATOM 433 N MET A 114 -5.822 3.634 7.269 1.00 0.00 N ATOM 434 CA MET A 114 -4.696 2.889 7.919 1.00 0.00 C ATOM 435 C MET A 114 -5.202 2.214 9.219 1.00 0.00 C ATOM 436 O MET A 114 -5.329 0.988 9.291 1.00 0.00 O ATOM 437 CB MET A 114 -3.562 3.948 8.091 1.00 0.00 C ATOM 438 CG MET A 114 -2.329 3.521 8.890 1.00 0.00 C ATOM 439 SD MET A 114 -2.551 3.661 10.676 1.00 0.00 S ATOM 440 CE MET A 114 -2.686 5.454 10.823 1.00 0.00 C ATOM 0 H MET A 114 -5.540 4.566 6.966 1.00 0.00 H new ATOM 0 HA MET A 114 -4.300 2.056 7.339 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.233 4.256 7.099 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.990 4.827 8.572 1.00 0.00 H new ATOM 0 HG2 MET A 114 -2.083 2.489 8.641 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.479 4.133 8.588 1.00 0.00 H new ATOM 0 HE1 MET A 114 -2.047 5.802 11.635 1.00 0.00 H new ATOM 0 HE2 MET A 114 -2.372 5.920 9.889 1.00 0.00 H new ATOM 0 HE3 MET A 114 -3.720 5.725 11.034 1.00 0.00 H new ATOM 575 N THR A 123 1.475 8.029 15.647 1.00 0.00 N ATOM 576 CA THR A 123 2.953 8.166 15.615 1.00 0.00 C ATOM 577 C THR A 123 3.163 8.287 14.076 1.00 0.00 C ATOM 578 O THR A 123 2.937 7.365 13.279 1.00 0.00 O ATOM 579 CB THR A 123 3.853 7.058 16.173 1.00 0.00 C ATOM 580 OG1 THR A 123 3.402 5.772 15.772 1.00 0.00 O ATOM 581 CG2 THR A 123 3.963 7.078 17.703 1.00 0.00 C ATOM 0 HA THR A 123 3.254 8.977 16.278 1.00 0.00 H new ATOM 0 HB THR A 123 4.840 7.259 15.757 1.00 0.00 H new ATOM 0 HG1 THR A 123 3.077 5.813 14.849 1.00 0.00 H new ATOM 0 HG21 THR A 123 4.614 6.268 18.032 1.00 0.00 H new ATOM 0 HG22 THR A 123 4.380 8.032 18.025 1.00 0.00 H new ATOM 0 HG23 THR A 123 2.973 6.948 18.141 1.00 0.00 H new ATOM 589 N ASP A 124 3.583 9.492 13.718 1.00 0.00 N ATOM 590 CA ASP A 124 3.824 9.905 12.315 1.00 0.00 C ATOM 591 C ASP A 124 4.916 9.141 11.538 1.00 0.00 C ATOM 592 O ASP A 124 4.771 8.952 10.326 1.00 0.00 O ATOM 593 CB ASP A 124 4.087 11.431 12.301 1.00 0.00 C ATOM 594 CG ASP A 124 2.867 12.304 12.604 1.00 0.00 C ATOM 595 OD1 ASP A 124 1.962 12.394 11.748 1.00 0.00 O ATOM 596 OD2 ASP A 124 2.812 12.895 13.704 1.00 0.00 O ATOM 0 H ASP A 124 3.773 10.232 14.394 1.00 0.00 H new ATOM 0 HA ASP A 124 2.921 9.638 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.865 11.656 13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 124 4.478 11.707 11.322 1.00 0.00 H new ATOM 601 N ALA A 125 5.981 8.705 12.228 1.00 0.00 N ATOM 602 CA ALA A 125 7.063 7.929 11.597 1.00 0.00 C ATOM 603 C ALA A 125 6.603 6.560 11.045 1.00 0.00 C ATOM 604 O ALA A 125 7.016 6.229 9.931 1.00 0.00 O ATOM 605 CB ALA A 125 8.229 7.810 12.585 1.00 0.00 C ATOM 0 H ALA A 125 6.117 8.876 13.224 1.00 0.00 H new ATOM 0 HA ALA A 125 7.399 8.469 10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.036 7.237 12.128 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.591 8.805 12.842 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.890 7.303 13.488 1.00 0.00 H new ATOM 611 N GLU A 126 5.724 5.793 11.741 1.00 0.00 N ATOM 612 CA GLU A 126 5.230 4.492 11.216 1.00 0.00 C ATOM 613 C GLU A 126 4.482 4.628 9.840 1.00 0.00 C ATOM 614 O GLU A 126 4.847 3.989 8.840 1.00 0.00 O ATOM 615 CB GLU A 126 4.293 3.898 12.308 1.00 0.00 C ATOM 616 CG GLU A 126 4.840 3.802 13.754 1.00 0.00 C ATOM 617 CD GLU A 126 5.645 2.558 14.083 1.00 0.00 C ATOM 618 OE1 GLU A 126 5.038 1.546 14.491 1.00 0.00 O ATOM 619 OE2 GLU A 126 6.885 2.595 13.952 1.00 0.00 O ATOM 0 H GLU A 126 5.347 6.048 12.654 1.00 0.00 H new ATOM 0 HA GLU A 126 6.075 3.835 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.384 4.499 12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.004 2.896 11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.465 4.675 13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.998 3.858 14.444 1.00 0.00 H new ATOM 626 N VAL A 127 3.493 5.549 9.815 1.00 0.00 N ATOM 627 CA VAL A 127 2.631 5.819 8.646 1.00 0.00 C ATOM 628 C VAL A 127 3.374 6.593 7.529 1.00 0.00 C ATOM 629 O VAL A 127 3.269 6.155 6.377 1.00 0.00 O ATOM 630 CB VAL A 127 1.295 6.518 9.087 1.00 0.00 C ATOM 631 CG1 VAL A 127 0.225 6.445 7.969 1.00 0.00 C ATOM 632 CG2 VAL A 127 0.661 5.997 10.403 1.00 0.00 C ATOM 0 H VAL A 127 3.269 6.134 10.620 1.00 0.00 H new ATOM 0 HA VAL A 127 2.363 4.859 8.204 1.00 0.00 H new ATOM 0 HB VAL A 127 1.604 7.546 9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.687 6.938 8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.598 6.944 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.010 5.402 7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.255 6.550 10.609 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.429 4.937 10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.363 6.137 11.225 1.00 0.00 H new ATOM 642 N GLU A 128 4.103 7.704 7.819 1.00 0.00 N ATOM 643 CA GLU A 128 4.855 8.426 6.760 1.00 0.00 C ATOM 644 C GLU A 128 6.001 7.542 6.173 1.00 0.00 C ATOM 645 O GLU A 128 6.109 7.489 4.947 1.00 0.00 O ATOM 646 CB GLU A 128 5.350 9.809 7.265 1.00 0.00 C ATOM 647 CG GLU A 128 5.647 10.809 6.115 1.00 0.00 C ATOM 648 CD GLU A 128 6.456 12.034 6.503 1.00 0.00 C ATOM 649 OE1 GLU A 128 7.704 11.958 6.467 1.00 0.00 O ATOM 650 OE2 GLU A 128 5.858 13.088 6.791 1.00 0.00 O ATOM 0 H GLU A 128 4.185 8.110 8.751 1.00 0.00 H new ATOM 0 HA GLU A 128 4.173 8.628 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.597 10.238 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.253 9.670 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.180 10.279 5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.699 11.141 5.692 1.00 0.00 H new ATOM 657 N GLU A 129 6.821 6.818 6.978 1.00 0.00 N ATOM 658 CA GLU A 129 7.880 5.929 6.423 1.00 0.00 C ATOM 659 C GLU A 129 7.278 4.737 5.601 1.00 0.00 C ATOM 660 O GLU A 129 7.783 4.493 4.494 1.00 0.00 O ATOM 661 CB GLU A 129 8.911 5.497 7.501 1.00 0.00 C ATOM 662 CG GLU A 129 9.734 6.636 8.184 1.00 0.00 C ATOM 663 CD GLU A 129 10.399 7.687 7.296 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.968 7.342 6.240 1.00 0.00 O ATOM 665 OE2 GLU A 129 10.315 8.891 7.627 1.00 0.00 O ATOM 0 H GLU A 129 6.773 6.830 7.997 1.00 0.00 H new ATOM 0 HA GLU A 129 8.452 6.515 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.380 4.948 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.612 4.800 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.070 7.157 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.514 6.167 8.784 1.00 0.00 H new ATOM 672 N ALA A 130 6.198 4.043 6.069 1.00 0.00 N ATOM 673 CA ALA A 130 5.559 2.964 5.261 1.00 0.00 C ATOM 674 C ALA A 130 4.947 3.488 3.921 1.00 0.00 C ATOM 675 O ALA A 130 5.221 2.899 2.866 1.00 0.00 O ATOM 676 CB ALA A 130 4.527 2.205 6.115 1.00 0.00 C ATOM 0 H ALA A 130 5.763 4.207 6.977 1.00 0.00 H new ATOM 0 HA ALA A 130 6.342 2.265 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.066 1.420 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.025 1.760 6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.759 2.898 6.458 1.00 0.00 H new ATOM 682 N MET A 131 4.166 4.600 3.951 1.00 0.00 N ATOM 683 CA MET A 131 3.597 5.216 2.718 1.00 0.00 C ATOM 684 C MET A 131 4.688 5.829 1.821 1.00 0.00 C ATOM 685 O MET A 131 4.500 5.711 0.618 1.00 0.00 O ATOM 686 CB MET A 131 2.477 6.215 3.109 1.00 0.00 C ATOM 687 CG MET A 131 1.892 7.176 2.061 1.00 0.00 C ATOM 688 SD MET A 131 1.162 6.305 0.677 1.00 0.00 S ATOM 689 CE MET A 131 0.788 7.691 -0.405 1.00 0.00 C ATOM 0 H MET A 131 3.916 5.088 4.811 1.00 0.00 H new ATOM 0 HA MET A 131 3.142 4.438 2.104 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.648 5.630 3.508 1.00 0.00 H new ATOM 0 HB3 MET A 131 2.860 6.825 3.927 1.00 0.00 H new ATOM 0 HG2 MET A 131 1.137 7.807 2.530 1.00 0.00 H new ATOM 0 HG3 MET A 131 2.679 7.837 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 131 -0.042 7.428 -1.060 1.00 0.00 H new ATOM 0 HE2 MET A 131 0.515 8.558 0.196 1.00 0.00 H new ATOM 0 HE3 MET A 131 1.664 7.929 -1.008 1.00 0.00 H new ATOM 699 N LYS A 132 5.769 6.470 2.311 1.00 0.00 N ATOM 700 CA LYS A 132 6.858 6.953 1.420 1.00 0.00 C ATOM 701 C LYS A 132 7.614 5.747 0.765 1.00 0.00 C ATOM 702 O LYS A 132 7.910 5.859 -0.425 1.00 0.00 O ATOM 703 CB LYS A 132 7.848 7.857 2.146 1.00 0.00 C ATOM 704 CG LYS A 132 7.360 9.268 2.552 1.00 0.00 C ATOM 705 CD LYS A 132 8.401 10.109 3.330 1.00 0.00 C ATOM 706 CE LYS A 132 8.957 9.405 4.584 1.00 0.00 C ATOM 707 NZ LYS A 132 9.529 10.348 5.575 1.00 0.00 N ATOM 0 H LYS A 132 5.916 6.666 3.301 1.00 0.00 H new ATOM 0 HA LYS A 132 6.383 7.548 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 132 8.175 7.341 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.726 7.974 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.072 9.812 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 132 6.464 9.166 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 132 9.229 10.352 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 132 7.943 11.053 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 132 8.159 8.832 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 132 9.726 8.693 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 9.604 9.877 6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.474 10.649 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.911 11.180 5.660 1.00 0.00 H new ATOM 721 N GLU A 133 7.967 4.626 1.471 1.00 0.00 N ATOM 722 CA GLU A 133 8.577 3.445 0.778 1.00 0.00 C ATOM 723 C GLU A 133 7.590 2.881 -0.317 1.00 0.00 C ATOM 724 O GLU A 133 8.041 2.547 -1.417 1.00 0.00 O ATOM 725 CB GLU A 133 9.054 2.343 1.769 1.00 0.00 C ATOM 726 CG GLU A 133 10.026 1.317 1.105 1.00 0.00 C ATOM 727 CD GLU A 133 10.379 0.052 1.875 1.00 0.00 C ATOM 728 OE1 GLU A 133 9.491 -0.569 2.495 1.00 0.00 O ATOM 729 OE2 GLU A 133 11.548 -0.384 1.800 1.00 0.00 O ATOM 0 H GLU A 133 7.846 4.517 2.478 1.00 0.00 H new ATOM 0 HA GLU A 133 9.480 3.790 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.552 2.813 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.186 1.813 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.590 1.015 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.956 1.839 0.879 1.00 0.00 H new ATOM 736 N ALA A 134 6.269 2.806 -0.009 1.00 0.00 N ATOM 737 CA ALA A 134 5.232 2.373 -0.976 1.00 0.00 C ATOM 738 C ALA A 134 4.942 3.406 -2.137 1.00 0.00 C ATOM 739 O ALA A 134 4.614 2.980 -3.245 1.00 0.00 O ATOM 740 CB ALA A 134 4.008 1.926 -0.163 1.00 0.00 C ATOM 0 H ALA A 134 5.897 3.043 0.911 1.00 0.00 H new ATOM 0 HA ALA A 134 5.596 1.525 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.220 1.599 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.288 1.101 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.646 2.760 0.438 1.00 0.00 H new ATOM 746 N ASP A 135 5.347 4.694 -2.027 1.00 0.00 N ATOM 747 CA ASP A 135 5.416 5.607 -3.197 1.00 0.00 C ATOM 748 C ASP A 135 6.913 5.401 -3.677 1.00 0.00 C ATOM 749 O ASP A 135 7.857 5.966 -3.110 1.00 0.00 O ATOM 750 CB ASP A 135 5.149 7.102 -2.918 1.00 0.00 C ATOM 751 CG ASP A 135 5.627 7.985 -4.105 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.745 7.662 -5.269 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.784 9.260 -3.779 1.00 0.00 O ATOM 0 H ASP A 135 5.630 5.124 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 135 4.633 5.365 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.084 7.259 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.664 7.403 -2.006 1.00 0.00 H new ATOM 758 N GLU A 136 7.135 4.646 -4.749 1.00 0.00 N ATOM 759 CA GLU A 136 8.512 4.430 -5.292 1.00 0.00 C ATOM 760 C GLU A 136 9.156 5.653 -6.058 1.00 0.00 C ATOM 761 O GLU A 136 10.380 5.690 -6.221 1.00 0.00 O ATOM 762 CB GLU A 136 8.558 3.113 -6.108 1.00 0.00 C ATOM 763 CG GLU A 136 8.200 1.852 -5.267 1.00 0.00 C ATOM 764 CD GLU A 136 9.121 0.640 -5.379 1.00 0.00 C ATOM 765 OE1 GLU A 136 10.150 0.593 -4.672 1.00 0.00 O ATOM 766 OE2 GLU A 136 8.802 -0.276 -6.164 1.00 0.00 O ATOM 0 H GLU A 136 6.399 4.168 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 136 9.161 4.338 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 136 7.866 3.190 -6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.556 2.989 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.161 2.148 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.195 1.536 -5.547 1.00 0.00 H new ATOM 773 N ASP A 137 8.353 6.619 -6.561 1.00 0.00 N ATOM 774 CA ASP A 137 8.855 7.771 -7.381 1.00 0.00 C ATOM 775 C ASP A 137 9.244 9.112 -6.671 1.00 0.00 C ATOM 776 O ASP A 137 9.944 9.933 -7.280 1.00 0.00 O ATOM 777 CB ASP A 137 7.740 7.962 -8.457 1.00 0.00 C ATOM 778 CG ASP A 137 7.803 9.191 -9.370 1.00 0.00 C ATOM 779 OD1 ASP A 137 7.435 10.291 -8.898 1.00 0.00 O ATOM 780 OD2 ASP A 137 8.214 9.063 -10.545 1.00 0.00 O ATOM 0 H ASP A 137 7.343 6.632 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 137 9.842 7.511 -7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 137 7.739 7.077 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.781 7.983 -7.939 1.00 0.00 H new ATOM 785 N GLY A 138 8.912 9.318 -5.389 1.00 0.00 N ATOM 786 CA GLY A 138 9.120 10.614 -4.694 1.00 0.00 C ATOM 787 C GLY A 138 8.006 11.697 -4.942 1.00 0.00 C ATOM 788 O GLY A 138 8.128 12.816 -4.440 1.00 0.00 O ATOM 0 H GLY A 138 8.493 8.599 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.188 10.426 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.080 11.025 -5.007 1.00 0.00 H new ATOM 792 N ASN A 139 6.909 11.338 -5.647 1.00 0.00 N ATOM 793 CA ASN A 139 5.726 12.197 -5.928 1.00 0.00 C ATOM 794 C ASN A 139 4.727 12.297 -4.717 1.00 0.00 C ATOM 795 O ASN A 139 4.260 13.398 -4.414 1.00 0.00 O ATOM 796 CB ASN A 139 5.119 11.644 -7.260 1.00 0.00 C ATOM 797 CG ASN A 139 3.600 11.584 -7.490 1.00 0.00 C ATOM 798 OD1 ASN A 139 2.979 10.577 -7.144 1.00 0.00 O ATOM 799 ND2 ASN A 139 2.962 12.561 -8.112 1.00 0.00 N ATOM 0 H ASN A 139 6.816 10.407 -6.053 1.00 0.00 H new ATOM 0 HA ASN A 139 6.002 13.244 -6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 139 5.538 12.241 -8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 139 5.498 10.629 -7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 139 1.963 12.478 -8.302 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.469 13.398 -8.402 1.00 0.00 H new ATOM 806 N GLY A 140 4.402 11.166 -4.060 1.00 0.00 N ATOM 807 CA GLY A 140 3.452 11.094 -2.917 1.00 0.00 C ATOM 808 C GLY A 140 2.098 10.367 -3.171 1.00 0.00 C ATOM 809 O GLY A 140 1.154 10.585 -2.408 1.00 0.00 O ATOM 0 H GLY A 140 4.795 10.258 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.955 10.595 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.235 12.111 -2.592 1.00 0.00 H new ATOM 813 N VAL A 141 2.009 9.508 -4.207 1.00 0.00 N ATOM 814 CA VAL A 141 0.771 8.748 -4.569 1.00 0.00 C ATOM 815 C VAL A 141 1.196 7.334 -5.038 1.00 0.00 C ATOM 816 O VAL A 141 2.335 7.092 -5.463 1.00 0.00 O ATOM 817 CB VAL A 141 -0.162 9.475 -5.622 1.00 0.00 C ATOM 818 CG1 VAL A 141 -1.630 9.298 -5.290 1.00 0.00 C ATOM 819 CG2 VAL A 141 -0.044 11.010 -5.694 1.00 0.00 C ATOM 0 H VAL A 141 2.795 9.313 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 141 0.144 8.682 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 141 0.173 9.010 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -2.236 9.812 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -1.877 8.236 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -1.834 9.719 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -0.730 11.393 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -0.295 11.440 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 141 0.977 11.284 -5.959 1.00 0.00 H new ATOM 829 N ILE A 142 0.229 6.397 -4.971 1.00 0.00 N ATOM 830 CA ILE A 142 0.496 4.976 -5.271 1.00 0.00 C ATOM 831 C ILE A 142 -0.540 4.216 -6.131 1.00 0.00 C ATOM 832 O ILE A 142 -1.710 4.129 -5.774 1.00 0.00 O ATOM 833 CB ILE A 142 0.624 4.115 -3.957 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.164 4.804 -2.668 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.496 2.890 -4.263 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.500 3.874 -1.503 1.00 0.00 C ATOM 0 H ILE A 142 -0.738 6.597 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 142 1.417 5.066 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.409 3.879 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.061 5.366 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.422 5.527 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.596 2.281 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.030 2.299 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.482 3.218 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 142 1.866 4.462 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.605 3.329 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.269 3.166 -1.813 1.00 0.00 H new ATOM 848 N ASP A 143 -0.037 3.560 -7.180 1.00 0.00 N ATOM 849 CA ASP A 143 -0.801 2.620 -8.014 1.00 0.00 C ATOM 850 C ASP A 143 -0.494 1.196 -7.440 1.00 0.00 C ATOM 851 O ASP A 143 0.563 0.921 -6.851 1.00 0.00 O ATOM 852 CB ASP A 143 -0.495 2.781 -9.520 1.00 0.00 C ATOM 853 CG ASP A 143 0.900 2.507 -10.102 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.693 1.729 -9.521 1.00 0.00 O ATOM 855 OD2 ASP A 143 1.177 3.037 -11.200 1.00 0.00 O ATOM 0 H ASP A 143 0.931 3.667 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.872 2.815 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.191 2.133 -10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.750 3.807 -9.784 1.00 0.00 H new ATOM 860 N ILE A 144 -1.417 0.247 -7.632 1.00 0.00 N ATOM 861 CA ILE A 144 -1.260 -1.145 -7.107 1.00 0.00 C ATOM 862 C ILE A 144 0.122 -1.828 -7.479 1.00 0.00 C ATOM 863 O ILE A 144 0.680 -2.419 -6.548 1.00 0.00 O ATOM 864 CB ILE A 144 -2.457 -2.098 -7.530 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.877 -1.459 -7.687 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.530 -3.420 -6.694 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.950 -2.325 -8.358 1.00 0.00 C ATOM 0 H ILE A 144 -2.285 0.402 -8.145 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.276 -1.017 -6.025 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.165 -2.338 -8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.236 -1.179 -6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.774 -0.538 -8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.371 -4.022 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.605 -3.983 -6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.664 -3.177 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.887 -1.770 -8.407 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.629 -2.585 -9.367 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -5.098 -3.236 -7.778 1.00 0.00 H new ATOM 879 N PRO A 145 0.732 -1.770 -8.714 1.00 0.00 N ATOM 880 CA PRO A 145 2.060 -2.378 -9.012 1.00 0.00 C ATOM 881 C PRO A 145 3.272 -1.944 -8.125 1.00 0.00 C ATOM 882 O PRO A 145 4.172 -2.767 -7.953 1.00 0.00 O ATOM 883 CB PRO A 145 2.266 -2.097 -10.511 1.00 0.00 C ATOM 884 CG PRO A 145 0.846 -1.973 -11.066 1.00 0.00 C ATOM 885 CD PRO A 145 0.114 -1.239 -9.946 1.00 0.00 C ATOM 0 HA PRO A 145 2.038 -3.438 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.837 -1.183 -10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 145 2.815 -2.904 -10.996 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.824 -1.412 -12.000 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.403 -2.948 -11.269 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.242 -0.159 -10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.958 -1.435 -9.973 1.00 0.00 H new ATOM 893 N GLU A 146 3.320 -0.704 -7.569 1.00 0.00 N ATOM 894 CA GLU A 146 4.416 -0.249 -6.650 1.00 0.00 C ATOM 895 C GLU A 146 4.458 -1.127 -5.350 1.00 0.00 C ATOM 896 O GLU A 146 5.447 -1.828 -5.115 1.00 0.00 O ATOM 897 CB GLU A 146 4.196 1.252 -6.337 1.00 0.00 C ATOM 898 CG GLU A 146 4.492 2.244 -7.483 1.00 0.00 C ATOM 899 CD GLU A 146 4.058 3.654 -7.113 1.00 0.00 C ATOM 900 OE1 GLU A 146 4.772 4.288 -6.311 1.00 0.00 O ATOM 901 OE2 GLU A 146 2.999 4.117 -7.583 1.00 0.00 O ATOM 0 H GLU A 146 2.610 0.008 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 146 5.387 -0.371 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.160 1.388 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 146 4.821 1.518 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 146 5.558 2.236 -7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 146 3.972 1.926 -8.387 1.00 0.00 H new ATOM 908 N PHE A 147 3.371 -1.109 -4.538 1.00 0.00 N ATOM 909 CA PHE A 147 3.216 -1.975 -3.331 1.00 0.00 C ATOM 910 C PHE A 147 3.390 -3.510 -3.653 1.00 0.00 C ATOM 911 O PHE A 147 4.032 -4.238 -2.878 1.00 0.00 O ATOM 912 CB PHE A 147 1.868 -1.569 -2.684 1.00 0.00 C ATOM 913 CG PHE A 147 1.365 -2.498 -1.575 1.00 0.00 C ATOM 914 CD1 PHE A 147 1.795 -2.381 -0.254 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.486 -3.523 -1.932 1.00 0.00 C ATOM 916 CE1 PHE A 147 1.354 -3.304 0.698 1.00 0.00 C ATOM 917 CE2 PHE A 147 0.021 -4.415 -0.972 1.00 0.00 C ATOM 918 CZ PHE A 147 0.451 -4.303 0.344 1.00 0.00 C ATOM 0 H PHE A 147 2.573 -0.494 -4.698 1.00 0.00 H new ATOM 0 HA PHE A 147 4.015 -1.816 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 147 1.969 -0.564 -2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.110 -1.520 -3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.464 -1.583 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.166 -3.623 -2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.716 -3.242 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.674 -5.194 -1.249 1.00 0.00 H new ATOM 0 HZ PHE A 147 0.085 -4.990 1.092 1.00 0.00 H new ATOM 928 N MET A 148 2.802 -3.988 -4.780 1.00 0.00 N ATOM 929 CA MET A 148 2.980 -5.396 -5.257 1.00 0.00 C ATOM 930 C MET A 148 4.520 -5.701 -5.458 1.00 0.00 C ATOM 931 O MET A 148 4.946 -6.782 -5.035 1.00 0.00 O ATOM 932 CB MET A 148 2.120 -5.758 -6.526 1.00 0.00 C ATOM 933 CG MET A 148 0.772 -6.424 -6.257 1.00 0.00 C ATOM 934 SD MET A 148 0.772 -8.111 -6.907 1.00 0.00 S ATOM 935 CE MET A 148 0.358 -9.030 -5.418 1.00 0.00 C ATOM 0 H MET A 148 2.200 -3.424 -5.379 1.00 0.00 H new ATOM 0 HA MET A 148 2.590 -6.052 -4.479 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.944 -4.844 -7.093 1.00 0.00 H new ATOM 0 HB3 MET A 148 2.709 -6.419 -7.162 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.572 -6.439 -5.186 1.00 0.00 H new ATOM 0 HG3 MET A 148 -0.027 -5.847 -6.722 1.00 0.00 H new ATOM 0 HE1 MET A 148 0.387 -10.099 -5.630 1.00 0.00 H new ATOM 0 HE2 MET A 148 1.078 -8.796 -4.634 1.00 0.00 H new ATOM 0 HE3 MET A 148 -0.643 -8.753 -5.086 1.00 0.00 H new ATOM 945 N ASP A 149 5.353 -4.786 -6.040 1.00 0.00 N ATOM 946 CA ASP A 149 6.828 -4.981 -6.138 1.00 0.00 C ATOM 947 C ASP A 149 7.500 -4.882 -4.715 1.00 0.00 C ATOM 948 O ASP A 149 8.475 -5.593 -4.469 1.00 0.00 O ATOM 949 CB ASP A 149 7.406 -3.996 -7.186 1.00 0.00 C ATOM 950 CG ASP A 149 8.445 -4.636 -8.112 1.00 0.00 C ATOM 951 OD1 ASP A 149 9.584 -4.908 -7.679 1.00 0.00 O ATOM 952 OD2 ASP A 149 8.106 -4.910 -9.282 1.00 0.00 O ATOM 0 H ASP A 149 5.026 -3.910 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 149 7.058 -5.986 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.590 -3.597 -7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.862 -3.152 -6.668 1.00 0.00 H new ATOM 957 N LEU A 150 7.000 -4.039 -3.767 1.00 0.00 N ATOM 958 CA LEU A 150 7.512 -3.989 -2.363 1.00 0.00 C ATOM 959 C LEU A 150 7.386 -5.374 -1.658 1.00 0.00 C ATOM 960 O LEU A 150 8.342 -5.780 -0.996 1.00 0.00 O ATOM 961 CB LEU A 150 6.779 -2.952 -1.452 1.00 0.00 C ATOM 962 CG LEU A 150 7.415 -1.551 -1.354 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.117 -0.683 -2.586 1.00 0.00 C ATOM 964 CD2 LEU A 150 6.944 -0.839 -0.070 1.00 0.00 C ATOM 0 H LEU A 150 6.241 -3.383 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 150 8.553 -3.688 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 150 5.758 -2.838 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.713 -3.368 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 150 8.495 -1.691 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.588 0.293 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 150 7.512 -1.169 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 150 6.039 -0.556 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 150 7.401 0.149 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 150 5.859 -0.737 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 150 7.239 -1.425 0.800 1.00 0.00 H new ATOM 976 N ILE A 151 6.240 -6.092 -1.754 1.00 0.00 N ATOM 977 CA ILE A 151 6.124 -7.425 -1.091 1.00 0.00 C ATOM 978 C ILE A 151 6.818 -8.538 -1.945 1.00 0.00 C ATOM 979 O ILE A 151 7.559 -9.330 -1.354 1.00 0.00 O ATOM 980 CB ILE A 151 4.658 -7.731 -0.628 1.00 0.00 C ATOM 981 CG1 ILE A 151 4.187 -6.651 0.399 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.552 -9.151 0.003 1.00 0.00 C ATOM 983 CD1 ILE A 151 2.765 -6.776 0.947 1.00 0.00 C ATOM 0 H ILE A 151 5.409 -5.790 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 151 6.682 -7.407 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 151 4.011 -7.702 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.876 -6.666 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.282 -5.673 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.524 -9.335 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.847 -9.899 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.210 -9.214 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 151 2.572 -5.963 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 151 2.052 -6.723 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 151 2.656 -7.731 1.461 1.00 0.00 H new ATOM 995 N LYS A 152 6.619 -8.615 -3.279 1.00 0.00 N ATOM 996 CA LYS A 152 7.299 -9.636 -4.132 1.00 0.00 C ATOM 997 C LYS A 152 8.869 -9.520 -4.172 1.00 0.00 C ATOM 998 O LYS A 152 9.545 -10.540 -4.004 1.00 0.00 O ATOM 999 CB LYS A 152 6.655 -9.615 -5.545 1.00 0.00 C ATOM 1000 CG LYS A 152 5.226 -10.206 -5.619 1.00 0.00 C ATOM 1001 CD LYS A 152 4.581 -9.985 -7.000 1.00 0.00 C ATOM 1002 CE LYS A 152 3.236 -10.722 -7.134 1.00 0.00 C ATOM 1003 NZ LYS A 152 2.608 -10.368 -8.434 1.00 0.00 N ATOM 0 H LYS A 152 5.998 -7.990 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 152 7.138 -10.611 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 152 6.625 -8.585 -5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 152 7.297 -10.169 -6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 152 5.264 -11.274 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 152 4.604 -9.747 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.427 -8.918 -7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 152 5.262 -10.330 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 152 3.391 -11.799 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.575 -10.449 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 2.127 -11.203 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 1.915 -9.606 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 3.341 -10.047 -9.098 1.00 0.00 H new