USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 382 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 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -152:sc= 1.26 (180deg=0.645) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 87 8.845 4.013 -1.365 1.00 0.00 N ATOM 101 CA PHE A 87 9.538 2.858 -0.777 1.00 0.00 C ATOM 102 C PHE A 87 10.730 3.323 0.087 1.00 0.00 C ATOM 103 O PHE A 87 11.286 4.407 -0.124 1.00 0.00 O ATOM 104 CB PHE A 87 10.012 1.908 -1.896 1.00 0.00 C ATOM 105 CG PHE A 87 8.985 0.963 -2.517 1.00 0.00 C ATOM 106 CD1 PHE A 87 7.601 1.053 -2.243 1.00 0.00 C ATOM 107 CD2 PHE A 87 9.443 -0.051 -3.381 1.00 0.00 C ATOM 108 CE1 PHE A 87 6.701 0.135 -2.816 1.00 0.00 C ATOM 109 CE2 PHE A 87 8.543 -0.966 -3.956 1.00 0.00 C ATOM 110 CZ PHE A 87 7.171 -0.877 -3.670 1.00 0.00 C ATOM 0 HA PHE A 87 8.844 2.320 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.432 2.518 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.825 1.302 -1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.232 1.830 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.497 -0.127 -3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.646 0.209 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.907 -1.738 -4.618 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.480 -1.584 -4.105 1.00 0.00 H new ATOM 120 N LYS A 88 11.136 2.489 1.052 1.00 0.00 N ATOM 121 CA LYS A 88 12.279 2.720 1.956 1.00 0.00 C ATOM 122 C LYS A 88 12.930 1.403 2.395 1.00 0.00 C ATOM 123 O LYS A 88 12.264 0.368 2.464 1.00 0.00 O ATOM 124 CB LYS A 88 11.871 3.589 3.169 1.00 0.00 C ATOM 125 CG LYS A 88 10.913 2.966 4.208 1.00 0.00 C ATOM 126 CD LYS A 88 9.460 2.734 3.756 1.00 0.00 C ATOM 127 CE LYS A 88 8.738 3.990 3.247 1.00 0.00 C ATOM 128 NZ LYS A 88 8.506 4.987 4.324 1.00 0.00 N ATOM 0 H LYS A 88 10.664 1.603 1.235 1.00 0.00 H new ATOM 0 HA LYS A 88 13.031 3.276 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.781 3.888 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.407 4.499 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.328 2.009 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.897 3.611 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.455 1.983 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.895 2.321 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.328 4.448 2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.782 3.704 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.016 5.816 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.921 4.561 5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.419 5.283 4.726 1.00 0.00 H new ATOM 142 N ALA A 89 14.226 1.439 2.704 1.00 0.00 N ATOM 143 CA ALA A 89 14.950 0.286 3.241 1.00 0.00 C ATOM 144 C ALA A 89 14.360 -0.167 4.595 1.00 0.00 C ATOM 145 O ALA A 89 13.955 0.656 5.422 1.00 0.00 O ATOM 146 CB ALA A 89 16.438 0.638 3.348 1.00 0.00 C ATOM 0 H ALA A 89 14.805 2.271 2.589 1.00 0.00 H new ATOM 0 HA ALA A 89 14.840 -0.561 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.986 -0.215 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.825 0.887 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.563 1.493 4.013 1.00 0.00 H new ATOM 152 N GLY A 90 14.297 -1.482 4.812 1.00 0.00 N ATOM 153 CA GLY A 90 13.672 -2.117 5.977 1.00 0.00 C ATOM 154 C GLY A 90 12.166 -2.390 5.827 1.00 0.00 C ATOM 155 O GLY A 90 11.593 -3.079 6.671 1.00 0.00 O ATOM 0 H GLY A 90 14.693 -2.159 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.181 -3.060 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.827 -1.481 6.848 1.00 0.00 H new ATOM 159 N GLU A 91 11.512 -1.879 4.777 1.00 0.00 N ATOM 160 CA GLU A 91 10.094 -2.143 4.494 1.00 0.00 C ATOM 161 C GLU A 91 9.890 -3.494 3.784 1.00 0.00 C ATOM 162 O GLU A 91 10.708 -3.910 2.958 1.00 0.00 O ATOM 163 CB GLU A 91 9.524 -0.986 3.655 1.00 0.00 C ATOM 164 CG GLU A 91 8.005 -1.024 3.438 1.00 0.00 C ATOM 165 CD GLU A 91 7.225 -1.025 4.766 1.00 0.00 C ATOM 166 OE1 GLU A 91 7.014 -2.118 5.345 1.00 0.00 O ATOM 167 OE2 GLU A 91 6.833 0.069 5.242 1.00 0.00 O ATOM 0 H GLU A 91 11.955 -1.265 4.093 1.00 0.00 H new ATOM 0 HA GLU A 91 9.557 -2.206 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.782 -0.045 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.014 -0.988 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.704 -0.162 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.744 -1.914 2.865 1.00 0.00 H new ATOM 174 N GLU A 92 8.783 -4.172 4.092 1.00 0.00 N ATOM 175 CA GLU A 92 8.417 -5.473 3.518 1.00 0.00 C ATOM 176 C GLU A 92 7.516 -5.325 2.279 1.00 0.00 C ATOM 177 O GLU A 92 6.656 -4.443 2.201 1.00 0.00 O ATOM 178 CB GLU A 92 7.729 -6.350 4.576 1.00 0.00 C ATOM 179 CG GLU A 92 8.702 -6.771 5.688 1.00 0.00 C ATOM 180 CD GLU A 92 8.012 -7.698 6.703 1.00 0.00 C ATOM 181 OE1 GLU A 92 7.421 -7.192 7.690 1.00 0.00 O ATOM 182 OE2 GLU A 92 8.064 -8.940 6.532 1.00 0.00 O ATOM 0 H GLU A 92 8.098 -3.825 4.764 1.00 0.00 H new ATOM 0 HA GLU A 92 9.339 -5.957 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.892 -5.804 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.316 -7.239 4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.561 -7.280 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.082 -5.886 6.198 1.00 0.00 H new ATOM 189 N VAL A 93 7.723 -6.213 1.306 1.00 0.00 N ATOM 190 CA VAL A 93 7.146 -6.177 -0.048 1.00 0.00 C ATOM 191 C VAL A 93 6.897 -7.596 -0.578 1.00 0.00 C ATOM 192 O VAL A 93 7.360 -8.583 0.002 1.00 0.00 O ATOM 193 CB VAL A 93 8.076 -5.409 -1.025 1.00 0.00 C ATOM 194 CG1 VAL A 93 8.120 -3.909 -0.713 1.00 0.00 C ATOM 195 CG2 VAL A 93 9.517 -5.943 -1.058 1.00 0.00 C ATOM 0 H VAL A 93 8.329 -7.022 1.444 1.00 0.00 H new ATOM 0 HA VAL A 93 6.192 -5.654 0.015 1.00 0.00 H new ATOM 0 HB VAL A 93 7.632 -5.574 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.782 -3.410 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.117 -3.490 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.492 -3.759 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.106 -5.357 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.957 -5.865 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.511 -6.987 -1.371 1.00 0.00 H new ATOM 205 N LEU A 94 6.200 -7.703 -1.710 1.00 0.00 N ATOM 206 CA LEU A 94 6.052 -8.939 -2.482 1.00 0.00 C ATOM 207 C LEU A 94 6.843 -8.806 -3.788 1.00 0.00 C ATOM 208 O LEU A 94 6.742 -7.783 -4.464 1.00 0.00 O ATOM 209 CB LEU A 94 4.562 -9.195 -2.780 1.00 0.00 C ATOM 210 CG LEU A 94 3.669 -9.482 -1.558 1.00 0.00 C ATOM 211 CD1 LEU A 94 2.276 -9.874 -2.050 1.00 0.00 C ATOM 212 CD2 LEU A 94 4.193 -10.621 -0.681 1.00 0.00 C ATOM 0 H LEU A 94 5.710 -6.912 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 94 6.438 -9.783 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.162 -8.326 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.489 -10.040 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 94 3.657 -8.575 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.633 -10.080 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.853 -9.056 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.348 -10.765 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.518 -10.771 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.249 -11.537 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.186 -10.367 -0.310 1.00 0.00 H new ATOM 224 N ALA A 95 7.630 -9.814 -4.158 1.00 0.00 N ATOM 225 CA ALA A 95 8.496 -9.748 -5.337 1.00 0.00 C ATOM 226 C ALA A 95 8.689 -11.116 -6.018 1.00 0.00 C ATOM 227 O ALA A 95 8.563 -12.170 -5.390 1.00 0.00 O ATOM 228 CB ALA A 95 9.825 -9.114 -4.909 1.00 0.00 C ATOM 0 H ALA A 95 7.687 -10.698 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 95 8.020 -9.131 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.492 -9.052 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.642 -8.113 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.287 -9.726 -4.135 1.00 0.00 H new ATOM 234 N ARG A 96 8.964 -11.096 -7.327 1.00 0.00 N ATOM 235 CA ARG A 96 9.190 -12.288 -8.165 1.00 0.00 C ATOM 236 C ARG A 96 10.570 -12.911 -7.901 1.00 0.00 C ATOM 237 O ARG A 96 11.522 -12.189 -7.609 1.00 0.00 O ATOM 238 CB ARG A 96 9.037 -11.853 -9.635 1.00 0.00 C ATOM 239 CG ARG A 96 9.160 -13.019 -10.622 1.00 0.00 C ATOM 240 CD ARG A 96 8.837 -12.591 -12.057 1.00 0.00 C ATOM 241 NE ARG A 96 9.043 -13.714 -12.993 1.00 0.00 N ATOM 242 CZ ARG A 96 10.167 -14.056 -13.599 1.00 0.00 C ATOM 243 NH1 ARG A 96 11.274 -13.382 -13.458 1.00 0.00 N ATOM 244 NH2 ARG A 96 10.203 -15.105 -14.369 1.00 0.00 N ATOM 0 H ARG A 96 9.039 -10.225 -7.852 1.00 0.00 H new ATOM 0 HA ARG A 96 8.461 -13.062 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.067 -11.374 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.796 -11.106 -9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.172 -13.422 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.485 -13.821 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.805 -12.246 -12.116 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.470 -11.751 -12.343 1.00 0.00 H new ATOM 0 HE ARG A 96 8.226 -14.291 -13.195 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.295 -12.555 -12.861 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.119 -13.682 -13.945 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.362 -15.666 -14.506 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.072 -15.366 -14.835 1.00 0.00 H new ATOM 258 N TRP A 97 10.703 -14.232 -8.075 1.00 0.00 N ATOM 259 CA TRP A 97 12.010 -14.918 -7.988 1.00 0.00 C ATOM 260 C TRP A 97 12.234 -16.030 -9.029 1.00 0.00 C ATOM 261 O TRP A 97 13.300 -16.069 -9.650 1.00 0.00 O ATOM 262 CB TRP A 97 12.203 -15.459 -6.563 1.00 0.00 C ATOM 263 CG TRP A 97 13.628 -15.683 -6.152 1.00 0.00 C ATOM 264 CD1 TRP A 97 14.247 -16.878 -6.028 1.00 0.00 C ATOM 265 CD2 TRP A 97 14.620 -14.684 -5.755 1.00 0.00 C ATOM 266 NE1 TRP A 97 15.539 -16.692 -5.572 1.00 0.00 N ATOM 267 CE2 TRP A 97 15.809 -15.358 -5.346 1.00 0.00 C ATOM 268 CE3 TRP A 97 14.628 -13.274 -5.683 1.00 0.00 C ATOM 269 CZ2 TRP A 97 16.922 -14.673 -4.833 1.00 0.00 C ATOM 270 CZ3 TRP A 97 15.726 -12.579 -5.141 1.00 0.00 C ATOM 271 CH2 TRP A 97 16.855 -13.279 -4.685 1.00 0.00 C ATOM 0 H TRP A 97 9.921 -14.854 -8.278 1.00 0.00 H new ATOM 0 HA TRP A 97 12.764 -14.167 -8.225 1.00 0.00 H new ATOM 0 HB2 TRP A 97 11.745 -14.762 -5.862 1.00 0.00 H new ATOM 0 HB3 TRP A 97 11.663 -16.402 -6.473 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.799 -17.835 -6.252 1.00 0.00 H new ATOM 0 HE1 TRP A 97 16.209 -17.447 -5.422 1.00 0.00 H new ATOM 0 HE3 TRP A 97 13.777 -12.719 -6.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 17.817 -15.211 -4.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 15.700 -11.501 -5.076 1.00 0.00 H new ATOM 0 HH2 TRP A 97 17.671 -12.745 -4.221 1.00 0.00 H new ATOM 282 N THR A 98 11.237 -16.896 -9.269 1.00 0.00 N ATOM 283 CA THR A 98 11.395 -18.114 -10.107 1.00 0.00 C ATOM 284 C THR A 98 10.198 -18.400 -11.030 1.00 0.00 C ATOM 285 O THR A 98 10.350 -19.073 -12.051 1.00 0.00 O ATOM 286 CB THR A 98 11.641 -19.354 -9.215 1.00 0.00 C ATOM 287 OG1 THR A 98 12.592 -19.089 -8.204 1.00 0.00 O ATOM 288 CG2 THR A 98 12.186 -20.567 -9.974 1.00 0.00 C ATOM 0 H THR A 98 10.296 -16.780 -8.892 1.00 0.00 H new ATOM 0 HA THR A 98 12.255 -17.915 -10.747 1.00 0.00 H new ATOM 0 HB THR A 98 10.654 -19.577 -8.810 1.00 0.00 H new ATOM 0 HG1 THR A 98 12.722 -19.893 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 98 12.332 -21.395 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.476 -20.862 -10.747 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.139 -20.309 -10.436 1.00 0.00 H new ATOM 296 N ASP A 99 9.010 -17.871 -10.720 1.00 0.00 N ATOM 297 CA ASP A 99 7.733 -18.177 -11.387 1.00 0.00 C ATOM 298 C ASP A 99 6.860 -16.912 -11.500 1.00 0.00 C ATOM 299 O ASP A 99 7.250 -15.834 -11.051 1.00 0.00 O ATOM 300 CB ASP A 99 6.991 -19.258 -10.577 1.00 0.00 C ATOM 301 CG ASP A 99 7.742 -20.597 -10.521 1.00 0.00 C ATOM 302 OD1 ASP A 99 7.671 -21.371 -11.506 1.00 0.00 O ATOM 303 OD2 ASP A 99 8.368 -20.892 -9.474 1.00 0.00 O ATOM 0 H ASP A 99 8.904 -17.190 -9.968 1.00 0.00 H new ATOM 0 HA ASP A 99 7.934 -18.541 -12.394 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.832 -18.896 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.006 -19.419 -11.016 1.00 0.00 H new ATOM 308 N CYS A 100 5.651 -17.024 -12.058 1.00 0.00 N ATOM 309 CA CYS A 100 4.651 -15.945 -12.037 1.00 0.00 C ATOM 310 C CYS A 100 4.131 -15.603 -10.618 1.00 0.00 C ATOM 311 O CYS A 100 3.498 -14.562 -10.430 1.00 0.00 O ATOM 312 CB CYS A 100 3.483 -16.331 -12.958 1.00 0.00 C ATOM 313 SG CYS A 100 4.062 -16.558 -14.667 1.00 0.00 S ATOM 0 H CYS A 100 5.335 -17.866 -12.539 1.00 0.00 H new ATOM 0 HA CYS A 100 5.143 -15.041 -12.395 1.00 0.00 H new ATOM 0 HB2 CYS A 100 3.020 -17.250 -12.600 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.718 -15.556 -12.928 1.00 0.00 H new ATOM 0 HG CYS A 100 3.058 -16.886 -15.425 1.00 0.00 H new ATOM 319 N ARG A 101 4.390 -16.465 -9.620 1.00 0.00 N ATOM 320 CA ARG A 101 4.081 -16.225 -8.202 1.00 0.00 C ATOM 321 C ARG A 101 5.059 -15.206 -7.602 1.00 0.00 C ATOM 322 O ARG A 101 6.275 -15.336 -7.763 1.00 0.00 O ATOM 323 CB ARG A 101 4.182 -17.528 -7.382 1.00 0.00 C ATOM 324 CG ARG A 101 3.159 -18.633 -7.701 1.00 0.00 C ATOM 325 CD ARG A 101 3.494 -19.430 -8.971 1.00 0.00 C ATOM 326 NE ARG A 101 2.738 -20.695 -9.046 1.00 0.00 N ATOM 327 CZ ARG A 101 3.076 -21.858 -8.511 1.00 0.00 C ATOM 328 NH1 ARG A 101 4.146 -22.011 -7.782 1.00 0.00 N ATOM 329 NH2 ARG A 101 2.330 -22.908 -8.702 1.00 0.00 N ATOM 0 H ARG A 101 4.831 -17.370 -9.782 1.00 0.00 H new ATOM 0 HA ARG A 101 3.062 -15.841 -8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.181 -17.940 -7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 101 4.087 -17.273 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.101 -19.319 -6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.173 -18.183 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.273 -18.823 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.562 -19.644 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 101 1.861 -20.671 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.760 -21.216 -7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.369 -22.925 -7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.483 -22.836 -9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.593 -23.803 -8.289 1.00 0.00 H new ATOM 343 N TYR A 102 4.531 -14.230 -6.869 1.00 0.00 N ATOM 344 CA TYR A 102 5.324 -13.328 -6.027 1.00 0.00 C ATOM 345 C TYR A 102 5.475 -13.945 -4.623 1.00 0.00 C ATOM 346 O TYR A 102 4.595 -14.679 -4.158 1.00 0.00 O ATOM 347 CB TYR A 102 4.640 -11.953 -5.933 1.00 0.00 C ATOM 348 CG TYR A 102 4.414 -11.253 -7.265 1.00 0.00 C ATOM 349 CD1 TYR A 102 5.398 -10.391 -7.786 1.00 0.00 C ATOM 350 CD2 TYR A 102 3.216 -11.457 -7.979 1.00 0.00 C ATOM 351 CE1 TYR A 102 5.200 -9.753 -9.026 1.00 0.00 C ATOM 352 CE2 TYR A 102 3.013 -10.824 -9.221 1.00 0.00 C ATOM 353 CZ TYR A 102 4.010 -9.975 -9.751 1.00 0.00 C ATOM 354 OH TYR A 102 3.822 -9.360 -10.948 1.00 0.00 O ATOM 0 H TYR A 102 3.530 -14.038 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 102 6.311 -13.193 -6.470 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.677 -12.076 -5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.245 -11.306 -5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.309 -10.218 -7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.451 -12.101 -7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.959 -9.094 -9.422 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.096 -10.988 -9.768 1.00 0.00 H new ATOM 0 HH TYR A 102 2.952 -9.621 -11.317 1.00 0.00 H new ATOM 364 N TYR A 103 6.560 -13.614 -3.925 1.00 0.00 N ATOM 365 CA TYR A 103 6.909 -14.148 -2.602 1.00 0.00 C ATOM 366 C TYR A 103 7.356 -13.015 -1.652 1.00 0.00 C ATOM 367 O TYR A 103 7.798 -11.962 -2.130 1.00 0.00 O ATOM 368 CB TYR A 103 8.026 -15.195 -2.767 1.00 0.00 C ATOM 369 CG TYR A 103 7.739 -16.335 -3.734 1.00 0.00 C ATOM 370 CD1 TYR A 103 6.737 -17.280 -3.434 1.00 0.00 C ATOM 371 CD2 TYR A 103 8.492 -16.469 -4.919 1.00 0.00 C ATOM 372 CE1 TYR A 103 6.491 -18.354 -4.313 1.00 0.00 C ATOM 373 CE2 TYR A 103 8.254 -17.546 -5.796 1.00 0.00 C ATOM 374 CZ TYR A 103 7.254 -18.496 -5.493 1.00 0.00 C ATOM 375 OH TYR A 103 7.025 -19.552 -6.323 1.00 0.00 O ATOM 0 H TYR A 103 7.246 -12.944 -4.273 1.00 0.00 H new ATOM 0 HA TYR A 103 6.032 -14.619 -2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.929 -14.683 -3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.243 -15.622 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.157 -17.181 -2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 103 9.255 -15.742 -5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.716 -19.071 -4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 103 8.836 -17.645 -6.700 1.00 0.00 H new ATOM 0 HH TYR A 103 7.633 -19.503 -7.090 1.00 0.00 H new ATOM 385 N PRO A 104 7.247 -13.187 -0.318 1.00 0.00 N ATOM 386 CA PRO A 104 7.588 -12.139 0.644 1.00 0.00 C ATOM 387 C PRO A 104 9.094 -11.841 0.688 1.00 0.00 C ATOM 388 O PRO A 104 9.936 -12.745 0.713 1.00 0.00 O ATOM 389 CB PRO A 104 7.053 -12.624 1.996 1.00 0.00 C ATOM 390 CG PRO A 104 7.027 -14.144 1.851 1.00 0.00 C ATOM 391 CD PRO A 104 6.696 -14.345 0.374 1.00 0.00 C ATOM 0 HA PRO A 104 7.137 -11.189 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.698 -12.311 2.817 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.060 -12.224 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.986 -14.591 2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.276 -14.598 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.133 -15.270 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.619 -14.416 0.221 1.00 0.00 H new ATOM 399 N ALA A 105 9.417 -10.549 0.740 1.00 0.00 N ATOM 400 CA ALA A 105 10.772 -10.008 0.770 1.00 0.00 C ATOM 401 C ALA A 105 10.833 -8.678 1.554 1.00 0.00 C ATOM 402 O ALA A 105 9.807 -8.128 1.964 1.00 0.00 O ATOM 403 CB ALA A 105 11.241 -9.835 -0.684 1.00 0.00 C ATOM 0 H ALA A 105 8.706 -9.818 0.763 1.00 0.00 H new ATOM 0 HA ALA A 105 11.438 -10.695 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.253 -9.431 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.231 -10.802 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.572 -9.149 -1.203 1.00 0.00 H new ATOM 409 N LYS A 106 12.045 -8.144 1.744 1.00 0.00 N ATOM 410 CA LYS A 106 12.331 -6.875 2.435 1.00 0.00 C ATOM 411 C LYS A 106 13.371 -6.073 1.650 1.00 0.00 C ATOM 412 O LYS A 106 14.321 -6.652 1.123 1.00 0.00 O ATOM 413 CB LYS A 106 12.802 -7.197 3.867 1.00 0.00 C ATOM 414 CG LYS A 106 12.809 -5.964 4.785 1.00 0.00 C ATOM 415 CD LYS A 106 13.099 -6.304 6.259 1.00 0.00 C ATOM 416 CE LYS A 106 14.575 -6.233 6.680 1.00 0.00 C ATOM 417 NZ LYS A 106 15.420 -7.277 6.052 1.00 0.00 N ATOM 0 H LYS A 106 12.892 -8.602 1.407 1.00 0.00 H new ATOM 0 HA LYS A 106 11.435 -6.257 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.151 -7.959 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.806 -7.620 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.559 -5.258 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.843 -5.464 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.527 -5.623 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.731 -7.310 6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 106 14.972 -5.251 6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.640 -6.327 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 16.223 -7.495 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.855 -8.137 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.776 -6.932 5.138 1.00 0.00 H new ATOM 431 N ILE A 107 13.180 -4.757 1.533 1.00 0.00 N ATOM 432 CA ILE A 107 14.106 -3.865 0.813 1.00 0.00 C ATOM 433 C ILE A 107 15.363 -3.635 1.662 1.00 0.00 C ATOM 434 O ILE A 107 15.272 -3.270 2.834 1.00 0.00 O ATOM 435 CB ILE A 107 13.430 -2.526 0.425 1.00 0.00 C ATOM 436 CG1 ILE A 107 12.111 -2.770 -0.351 1.00 0.00 C ATOM 437 CG2 ILE A 107 14.398 -1.673 -0.415 1.00 0.00 C ATOM 438 CD1 ILE A 107 11.348 -1.495 -0.728 1.00 0.00 C ATOM 0 H ILE A 107 12.377 -4.273 1.935 1.00 0.00 H new ATOM 0 HA ILE A 107 14.395 -4.347 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 107 13.184 -1.988 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 107 12.338 -3.325 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.460 -3.402 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 107 13.915 -0.733 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 107 15.297 -1.466 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.667 -2.215 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 107 10.439 -1.761 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 107 11.085 -0.947 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.976 -0.869 -1.362 1.00 0.00 H new ATOM 450 N GLU A 108 16.540 -3.800 1.062 1.00 0.00 N ATOM 451 CA GLU A 108 17.846 -3.621 1.714 1.00 0.00 C ATOM 452 C GLU A 108 18.570 -2.347 1.244 1.00 0.00 C ATOM 453 O GLU A 108 19.287 -1.719 2.026 1.00 0.00 O ATOM 454 CB GLU A 108 18.735 -4.846 1.436 1.00 0.00 C ATOM 455 CG GLU A 108 18.136 -6.189 1.881 1.00 0.00 C ATOM 456 CD GLU A 108 17.738 -6.204 3.368 1.00 0.00 C ATOM 457 OE1 GLU A 108 18.588 -5.890 4.236 1.00 0.00 O ATOM 458 OE2 GLU A 108 16.574 -6.545 3.684 1.00 0.00 O ATOM 0 H GLU A 108 16.619 -4.069 0.081 1.00 0.00 H new ATOM 0 HA GLU A 108 17.662 -3.518 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.942 -4.893 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.691 -4.706 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.258 -6.409 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.859 -6.983 1.696 1.00 0.00 H new ATOM 465 N ALA A 109 18.357 -1.943 -0.014 1.00 0.00 N ATOM 466 CA ALA A 109 18.849 -0.701 -0.617 1.00 0.00 C ATOM 467 C ALA A 109 18.010 -0.325 -1.855 1.00 0.00 C ATOM 468 O ALA A 109 17.255 -1.144 -2.386 1.00 0.00 O ATOM 469 CB ALA A 109 20.337 -0.856 -0.974 1.00 0.00 C ATOM 0 H ALA A 109 17.810 -2.501 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 109 18.748 0.112 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 109 20.702 0.068 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.907 -1.071 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 109 20.458 -1.675 -1.683 1.00 0.00 H new ATOM 475 N ILE A 110 18.144 0.917 -2.328 1.00 0.00 N ATOM 476 CA ILE A 110 17.279 1.525 -3.354 1.00 0.00 C ATOM 477 C ILE A 110 18.126 2.269 -4.402 1.00 0.00 C ATOM 478 O ILE A 110 19.171 2.840 -4.074 1.00 0.00 O ATOM 479 CB ILE A 110 16.243 2.456 -2.657 1.00 0.00 C ATOM 480 CG1 ILE A 110 15.391 1.641 -1.645 1.00 0.00 C ATOM 481 CG2 ILE A 110 15.374 3.202 -3.689 1.00 0.00 C ATOM 482 CD1 ILE A 110 14.144 2.329 -1.081 1.00 0.00 C ATOM 0 H ILE A 110 18.876 1.548 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 110 16.732 0.750 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 110 16.780 3.223 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.079 0.717 -2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 110 16.032 1.361 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 110 14.662 3.843 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 110 16.012 3.812 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.833 2.479 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.639 1.656 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 110 14.436 3.238 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.468 2.583 -1.897 1.00 0.00 H new ATOM 566 N PHE A 116 15.698 -2.148 -7.135 1.00 0.00 N ATOM 567 CA PHE A 116 15.726 -2.205 -5.672 1.00 0.00 C ATOM 568 C PHE A 116 16.474 -3.474 -5.238 1.00 0.00 C ATOM 569 O PHE A 116 16.247 -4.554 -5.791 1.00 0.00 O ATOM 570 CB PHE A 116 14.290 -2.219 -5.123 1.00 0.00 C ATOM 571 CG PHE A 116 13.434 -1.023 -5.508 1.00 0.00 C ATOM 572 CD1 PHE A 116 12.764 -0.986 -6.748 1.00 0.00 C ATOM 573 CD2 PHE A 116 13.307 0.059 -4.622 1.00 0.00 C ATOM 574 CE1 PHE A 116 11.989 0.135 -7.098 1.00 0.00 C ATOM 575 CE2 PHE A 116 12.543 1.185 -4.976 1.00 0.00 C ATOM 576 CZ PHE A 116 11.882 1.223 -6.215 1.00 0.00 C ATOM 0 HA PHE A 116 16.239 -1.328 -5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 116 13.795 -3.126 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 116 14.335 -2.277 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 116 12.846 -1.819 -7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.800 0.026 -3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.475 0.159 -8.048 1.00 0.00 H new ATOM 0 HE2 PHE A 116 12.464 2.020 -4.296 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.293 2.086 -6.488 1.00 0.00 H new ATOM 586 N THR A 117 17.374 -3.352 -4.262 1.00 0.00 N ATOM 587 CA THR A 117 18.050 -4.491 -3.620 1.00 0.00 C ATOM 588 C THR A 117 17.122 -5.072 -2.557 1.00 0.00 C ATOM 589 O THR A 117 16.592 -4.333 -1.726 1.00 0.00 O ATOM 590 CB THR A 117 19.369 -4.057 -2.961 1.00 0.00 C ATOM 591 OG1 THR A 117 20.163 -3.312 -3.863 1.00 0.00 O ATOM 592 CG2 THR A 117 20.220 -5.239 -2.497 1.00 0.00 C ATOM 0 H THR A 117 17.661 -2.448 -3.886 1.00 0.00 H new ATOM 0 HA THR A 117 18.281 -5.237 -4.381 1.00 0.00 H new ATOM 0 HB THR A 117 19.075 -3.459 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 117 20.996 -3.045 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 117 21.138 -4.869 -2.040 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.662 -5.825 -1.767 1.00 0.00 H new ATOM 0 HG23 THR A 117 20.468 -5.867 -3.353 1.00 0.00 H new ATOM 600 N VAL A 118 16.922 -6.388 -2.567 1.00 0.00 N ATOM 601 CA VAL A 118 15.904 -7.080 -1.764 1.00 0.00 C ATOM 602 C VAL A 118 16.412 -8.416 -1.222 1.00 0.00 C ATOM 603 O VAL A 118 17.115 -9.164 -1.908 1.00 0.00 O ATOM 604 CB VAL A 118 14.602 -7.310 -2.568 1.00 0.00 C ATOM 605 CG1 VAL A 118 13.778 -6.023 -2.704 1.00 0.00 C ATOM 606 CG2 VAL A 118 14.835 -7.873 -3.978 1.00 0.00 C ATOM 0 H VAL A 118 17.474 -7.022 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 118 15.686 -6.425 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 118 14.057 -8.053 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.873 -6.229 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.507 -5.658 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.368 -5.266 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.876 -8.007 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.450 -7.178 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.345 -8.834 -3.906 1.00 0.00 H new ATOM 616 N GLN A 119 16.009 -8.729 0.010 1.00 0.00 N ATOM 617 CA GLN A 119 16.271 -9.993 0.698 1.00 0.00 C ATOM 618 C GLN A 119 14.962 -10.776 0.844 1.00 0.00 C ATOM 619 O GLN A 119 13.960 -10.236 1.317 1.00 0.00 O ATOM 620 CB GLN A 119 16.911 -9.706 2.066 1.00 0.00 C ATOM 621 CG GLN A 119 17.161 -10.982 2.889 1.00 0.00 C ATOM 622 CD GLN A 119 17.918 -10.709 4.189 1.00 0.00 C ATOM 623 OE1 GLN A 119 18.925 -10.013 4.235 1.00 0.00 O ATOM 624 NE2 GLN A 119 17.463 -11.241 5.306 1.00 0.00 N ATOM 0 H GLN A 119 15.467 -8.080 0.580 1.00 0.00 H new ATOM 0 HA GLN A 119 16.966 -10.601 0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 119 17.857 -9.185 1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 119 16.263 -9.036 2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 119 16.205 -11.452 3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 119 17.727 -11.693 2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 119 16.626 -11.824 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 119 17.948 -11.070 6.187 1.00 0.00 H new ATOM 633 N PHE A 120 14.971 -12.047 0.447 1.00 0.00 N ATOM 634 CA PHE A 120 13.799 -12.930 0.497 1.00 0.00 C ATOM 635 C PHE A 120 13.765 -13.759 1.791 1.00 0.00 C ATOM 636 O PHE A 120 14.750 -13.827 2.531 1.00 0.00 O ATOM 637 CB PHE A 120 13.782 -13.809 -0.767 1.00 0.00 C ATOM 638 CG PHE A 120 13.135 -13.131 -1.965 1.00 0.00 C ATOM 639 CD1 PHE A 120 13.684 -11.950 -2.505 1.00 0.00 C ATOM 640 CD2 PHE A 120 11.963 -13.672 -2.530 1.00 0.00 C ATOM 641 CE1 PHE A 120 13.062 -11.313 -3.594 1.00 0.00 C ATOM 642 CE2 PHE A 120 11.358 -13.046 -3.634 1.00 0.00 C ATOM 643 CZ PHE A 120 11.911 -11.873 -4.169 1.00 0.00 C ATOM 0 H PHE A 120 15.804 -12.503 0.075 1.00 0.00 H new ATOM 0 HA PHE A 120 12.891 -12.326 0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 120 14.805 -14.084 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.248 -14.734 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 120 14.585 -11.533 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 120 11.529 -14.569 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 120 13.470 -10.394 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 120 10.466 -13.469 -4.071 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.451 -11.401 -5.024 1.00 0.00 H new ATOM 653 N TYR A 121 12.627 -14.408 2.057 1.00 0.00 N ATOM 654 CA TYR A 121 12.387 -15.246 3.244 1.00 0.00 C ATOM 655 C TYR A 121 13.432 -16.361 3.476 1.00 0.00 C ATOM 656 O TYR A 121 13.666 -16.764 4.617 1.00 0.00 O ATOM 657 CB TYR A 121 10.968 -15.834 3.156 1.00 0.00 C ATOM 658 CG TYR A 121 10.770 -16.851 2.041 1.00 0.00 C ATOM 659 CD1 TYR A 121 10.396 -16.430 0.748 1.00 0.00 C ATOM 660 CD2 TYR A 121 10.989 -18.220 2.295 1.00 0.00 C ATOM 661 CE1 TYR A 121 10.258 -17.372 -0.290 1.00 0.00 C ATOM 662 CE2 TYR A 121 10.845 -19.165 1.261 1.00 0.00 C ATOM 663 CZ TYR A 121 10.480 -18.743 -0.035 1.00 0.00 C ATOM 664 OH TYR A 121 10.343 -19.658 -1.032 1.00 0.00 O ATOM 0 H TYR A 121 11.820 -14.365 1.435 1.00 0.00 H new ATOM 0 HA TYR A 121 12.488 -14.595 4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.725 -16.307 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.259 -15.018 3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.215 -15.383 0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.268 -18.545 3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.982 -17.045 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 121 11.014 -20.213 1.460 1.00 0.00 H new ATOM 0 HH TYR A 121 10.534 -20.554 -0.683 1.00 0.00 H new ATOM 674 N ASP A 122 14.084 -16.846 2.413 1.00 0.00 N ATOM 675 CA ASP A 122 15.177 -17.830 2.468 1.00 0.00 C ATOM 676 C ASP A 122 16.493 -17.271 3.062 1.00 0.00 C ATOM 677 O ASP A 122 17.335 -18.035 3.542 1.00 0.00 O ATOM 678 CB ASP A 122 15.402 -18.353 1.040 1.00 0.00 C ATOM 679 CG ASP A 122 16.461 -19.465 0.973 1.00 0.00 C ATOM 680 OD1 ASP A 122 16.180 -20.597 1.439 1.00 0.00 O ATOM 681 OD2 ASP A 122 17.563 -19.220 0.425 1.00 0.00 O ATOM 0 H ASP A 122 13.860 -16.557 1.461 1.00 0.00 H new ATOM 0 HA ASP A 122 14.882 -18.632 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 122 14.460 -18.731 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.709 -17.526 0.399 1.00 0.00 H new ATOM 686 N GLY A 123 16.677 -15.945 3.043 1.00 0.00 N ATOM 687 CA GLY A 123 17.852 -15.225 3.558 1.00 0.00 C ATOM 688 C GLY A 123 18.773 -14.659 2.465 1.00 0.00 C ATOM 689 O GLY A 123 19.576 -13.766 2.740 1.00 0.00 O ATOM 0 H GLY A 123 15.979 -15.314 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.513 -14.406 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.429 -15.900 4.190 1.00 0.00 H new ATOM 693 N VAL A 124 18.657 -15.157 1.229 1.00 0.00 N ATOM 694 CA VAL A 124 19.387 -14.684 0.035 1.00 0.00 C ATOM 695 C VAL A 124 19.042 -13.229 -0.326 1.00 0.00 C ATOM 696 O VAL A 124 17.900 -12.794 -0.152 1.00 0.00 O ATOM 697 CB VAL A 124 19.128 -15.643 -1.149 1.00 0.00 C ATOM 698 CG1 VAL A 124 17.660 -15.683 -1.595 1.00 0.00 C ATOM 699 CG2 VAL A 124 20.009 -15.334 -2.365 1.00 0.00 C ATOM 0 H VAL A 124 18.028 -15.932 1.019 1.00 0.00 H new ATOM 0 HA VAL A 124 20.452 -14.690 0.266 1.00 0.00 H new ATOM 0 HB VAL A 124 19.392 -16.625 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.552 -16.376 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.036 -16.014 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.348 -14.687 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 124 19.784 -16.039 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 124 19.811 -14.319 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 124 21.059 -15.425 -2.086 1.00 0.00 H new ATOM 709 N ILE A 125 20.021 -12.491 -0.868 1.00 0.00 N ATOM 710 CA ILE A 125 19.906 -11.084 -1.283 1.00 0.00 C ATOM 711 C ILE A 125 20.355 -10.925 -2.744 1.00 0.00 C ATOM 712 O ILE A 125 21.448 -11.362 -3.116 1.00 0.00 O ATOM 713 CB ILE A 125 20.736 -10.139 -0.374 1.00 0.00 C ATOM 714 CG1 ILE A 125 20.647 -10.452 1.138 1.00 0.00 C ATOM 715 CG2 ILE A 125 20.279 -8.686 -0.599 1.00 0.00 C ATOM 716 CD1 ILE A 125 21.737 -11.408 1.643 1.00 0.00 C ATOM 0 H ILE A 125 20.952 -12.872 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 125 18.858 -10.802 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 125 21.776 -10.294 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 125 20.710 -9.518 1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 125 19.670 -10.886 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 125 20.860 -8.019 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 125 20.432 -8.414 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 125 19.222 -8.595 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 125 21.606 -11.577 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 125 21.662 -12.358 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 125 22.718 -10.969 1.463 1.00 0.00 H new ATOM 728 N ARG A 126 19.521 -10.271 -3.559 1.00 0.00 N ATOM 729 CA ARG A 126 19.774 -9.868 -4.961 1.00 0.00 C ATOM 730 C ARG A 126 19.127 -8.495 -5.222 1.00 0.00 C ATOM 731 O ARG A 126 18.723 -7.810 -4.281 1.00 0.00 O ATOM 732 CB ARG A 126 19.236 -10.951 -5.933 1.00 0.00 C ATOM 733 CG ARG A 126 19.955 -12.311 -5.901 1.00 0.00 C ATOM 734 CD ARG A 126 21.399 -12.225 -6.410 1.00 0.00 C ATOM 735 NE ARG A 126 22.020 -13.563 -6.479 1.00 0.00 N ATOM 736 CZ ARG A 126 23.134 -13.882 -7.114 1.00 0.00 C ATOM 737 NH1 ARG A 126 23.844 -13.004 -7.767 1.00 0.00 N ATOM 738 NH2 ARG A 126 23.563 -15.112 -7.107 1.00 0.00 N ATOM 0 H ARG A 126 18.592 -9.988 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 126 20.846 -9.778 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 126 18.181 -11.116 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 126 19.291 -10.558 -6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.955 -12.694 -4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 126 19.401 -13.026 -6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.413 -11.763 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.983 -11.584 -5.750 1.00 0.00 H new ATOM 0 HE ARG A 126 21.541 -14.317 -5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 126 23.545 -12.029 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 126 24.698 -13.292 -8.244 1.00 0.00 H new ATOM 0 HH21 ARG A 126 23.039 -15.832 -6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 126 24.423 -15.355 -7.598 1.00 0.00 H new ATOM 752 N CYS A 127 19.007 -8.078 -6.481 1.00 0.00 N ATOM 753 CA CYS A 127 18.220 -6.907 -6.880 1.00 0.00 C ATOM 754 C CYS A 127 17.285 -7.229 -8.056 1.00 0.00 C ATOM 755 O CYS A 127 17.526 -8.162 -8.829 1.00 0.00 O ATOM 756 CB CYS A 127 19.146 -5.711 -7.164 1.00 0.00 C ATOM 757 SG CYS A 127 20.268 -6.038 -8.557 1.00 0.00 S ATOM 0 H CYS A 127 19.459 -8.549 -7.265 1.00 0.00 H new ATOM 0 HA CYS A 127 17.572 -6.624 -6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 127 18.544 -4.829 -7.382 1.00 0.00 H new ATOM 0 HB3 CYS A 127 19.731 -5.485 -6.272 1.00 0.00 H new ATOM 0 HG CYS A 127 21.025 -5.000 -8.757 1.00 0.00 H new ATOM 763 N LEU A 128 16.203 -6.455 -8.172 1.00 0.00 N ATOM 764 CA LEU A 128 15.121 -6.652 -9.144 1.00 0.00 C ATOM 765 C LEU A 128 14.642 -5.307 -9.704 1.00 0.00 C ATOM 766 O LEU A 128 14.723 -4.274 -9.028 1.00 0.00 O ATOM 767 CB LEU A 128 13.941 -7.367 -8.455 1.00 0.00 C ATOM 768 CG LEU A 128 14.189 -8.817 -8.000 1.00 0.00 C ATOM 769 CD1 LEU A 128 12.979 -9.298 -7.205 1.00 0.00 C ATOM 770 CD2 LEU A 128 14.394 -9.773 -9.178 1.00 0.00 C ATOM 0 H LEU A 128 16.049 -5.645 -7.571 1.00 0.00 H new ATOM 0 HA LEU A 128 15.498 -7.258 -9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 128 13.649 -6.781 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 128 13.093 -7.364 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 128 15.097 -8.819 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 128 13.144 -10.325 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.838 -8.658 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.090 -9.256 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 128 14.565 -10.782 -8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 128 13.506 -9.767 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.257 -9.452 -9.761 1.00 0.00 H new ATOM 782 N LYS A 129 14.111 -5.328 -10.932 1.00 0.00 N ATOM 783 CA LYS A 129 13.433 -4.184 -11.562 1.00 0.00 C ATOM 784 C LYS A 129 12.135 -3.843 -10.825 1.00 0.00 C ATOM 785 O LYS A 129 11.460 -4.726 -10.292 1.00 0.00 O ATOM 786 CB LYS A 129 13.112 -4.513 -13.036 1.00 0.00 C ATOM 787 CG LYS A 129 14.340 -4.761 -13.933 1.00 0.00 C ATOM 788 CD LYS A 129 15.242 -3.533 -14.153 1.00 0.00 C ATOM 789 CE LYS A 129 14.556 -2.346 -14.848 1.00 0.00 C ATOM 790 NZ LYS A 129 14.180 -2.655 -16.253 1.00 0.00 N ATOM 0 H LYS A 129 14.140 -6.155 -11.529 1.00 0.00 H new ATOM 0 HA LYS A 129 14.100 -3.323 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.476 -5.398 -13.064 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.533 -3.691 -13.458 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.938 -5.558 -13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.996 -5.119 -14.903 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.621 -3.200 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.104 -3.835 -14.747 1.00 0.00 H new ATOM 0 HE2 LYS A 129 13.663 -2.067 -14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.224 -1.484 -14.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 13.721 -1.825 -16.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.034 -2.896 -16.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 13.522 -3.460 -16.267 1.00 0.00 H new ATOM 804 N ARG A 130 11.713 -2.577 -10.902 1.00 0.00 N ATOM 805 CA ARG A 130 10.386 -2.107 -10.445 1.00 0.00 C ATOM 806 C ARG A 130 9.192 -2.899 -11.010 1.00 0.00 C ATOM 807 O ARG A 130 8.163 -3.017 -10.349 1.00 0.00 O ATOM 808 CB ARG A 130 10.234 -0.596 -10.710 1.00 0.00 C ATOM 809 CG ARG A 130 10.058 -0.173 -12.181 1.00 0.00 C ATOM 810 CD ARG A 130 11.344 -0.259 -13.017 1.00 0.00 C ATOM 811 NE ARG A 130 11.196 0.428 -14.316 1.00 0.00 N ATOM 812 CZ ARG A 130 11.442 1.701 -14.580 1.00 0.00 C ATOM 813 NH1 ARG A 130 11.849 2.541 -13.670 1.00 0.00 N ATOM 814 NH2 ARG A 130 11.278 2.163 -15.785 1.00 0.00 N ATOM 0 H ARG A 130 12.289 -1.830 -11.290 1.00 0.00 H new ATOM 0 HA ARG A 130 10.357 -2.295 -9.372 1.00 0.00 H new ATOM 0 HB2 ARG A 130 9.374 -0.235 -10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 130 11.113 -0.089 -10.312 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.296 -0.803 -12.640 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.686 0.851 -12.211 1.00 0.00 H new ATOM 0 HD2 ARG A 130 12.170 0.186 -12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 130 11.600 -1.305 -13.185 1.00 0.00 H new ATOM 0 HE ARG A 130 10.868 -0.142 -15.096 1.00 0.00 H new ATOM 0 HH11 ARG A 130 11.990 2.225 -12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 130 12.027 3.514 -13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 130 10.959 1.543 -16.530 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.469 3.145 -15.985 1.00 0.00 H new ATOM 828 N MET A 131 9.345 -3.477 -12.207 1.00 0.00 N ATOM 829 CA MET A 131 8.372 -4.340 -12.890 1.00 0.00 C ATOM 830 C MET A 131 8.105 -5.677 -12.162 1.00 0.00 C ATOM 831 O MET A 131 7.125 -6.366 -12.455 1.00 0.00 O ATOM 832 CB MET A 131 8.933 -4.572 -14.305 1.00 0.00 C ATOM 833 CG MET A 131 7.975 -5.267 -15.270 1.00 0.00 C ATOM 834 SD MET A 131 6.415 -4.391 -15.579 1.00 0.00 S ATOM 835 CE MET A 131 5.622 -5.575 -16.700 1.00 0.00 C ATOM 0 H MET A 131 10.196 -3.349 -12.755 1.00 0.00 H new ATOM 0 HA MET A 131 7.398 -3.851 -12.909 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.218 -3.609 -14.729 1.00 0.00 H new ATOM 0 HB3 MET A 131 9.842 -5.168 -14.226 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.486 -5.412 -16.222 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.745 -6.257 -14.877 1.00 0.00 H new ATOM 0 HE1 MET A 131 4.643 -5.197 -16.995 1.00 0.00 H new ATOM 0 HE2 MET A 131 6.242 -5.708 -17.586 1.00 0.00 H new ATOM 0 HE3 MET A 131 5.503 -6.533 -16.193 1.00 0.00 H new ATOM 845 N HIS A 132 8.954 -6.038 -11.194 1.00 0.00 N ATOM 846 CA HIS A 132 8.986 -7.355 -10.530 1.00 0.00 C ATOM 847 C HIS A 132 8.770 -7.283 -9.006 1.00 0.00 C ATOM 848 O HIS A 132 8.992 -8.271 -8.303 1.00 0.00 O ATOM 849 CB HIS A 132 10.310 -8.052 -10.891 1.00 0.00 C ATOM 850 CG HIS A 132 10.496 -8.315 -12.368 1.00 0.00 C ATOM 851 ND1 HIS A 132 11.666 -8.071 -13.092 1.00 0.00 N ATOM 852 CD2 HIS A 132 9.559 -8.841 -13.213 1.00 0.00 C ATOM 853 CE1 HIS A 132 11.405 -8.445 -14.357 1.00 0.00 C ATOM 854 NE2 HIS A 132 10.147 -8.911 -14.457 1.00 0.00 N ATOM 0 H HIS A 132 9.665 -5.401 -10.835 1.00 0.00 H new ATOM 0 HA HIS A 132 8.144 -7.942 -10.897 1.00 0.00 H new ATOM 0 HB2 HIS A 132 11.138 -7.438 -10.537 1.00 0.00 H new ATOM 0 HB3 HIS A 132 10.365 -9.000 -10.356 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.554 -9.143 -12.956 1.00 0.00 H new ATOM 0 HE1 HIS A 132 12.106 -8.380 -15.176 1.00 0.00 H new ATOM 0 HE2 HIS A 132 9.704 -9.257 -15.308 1.00 0.00 H new ATOM 862 N ILE A 133 8.315 -6.131 -8.499 1.00 0.00 N ATOM 863 CA ILE A 133 8.073 -5.847 -7.074 1.00 0.00 C ATOM 864 C ILE A 133 6.708 -5.154 -6.914 1.00 0.00 C ATOM 865 O ILE A 133 6.305 -4.342 -7.752 1.00 0.00 O ATOM 866 CB ILE A 133 9.208 -4.968 -6.482 1.00 0.00 C ATOM 867 CG1 ILE A 133 10.615 -5.548 -6.773 1.00 0.00 C ATOM 868 CG2 ILE A 133 9.012 -4.774 -4.962 1.00 0.00 C ATOM 869 CD1 ILE A 133 11.759 -4.656 -6.285 1.00 0.00 C ATOM 0 H ILE A 133 8.095 -5.333 -9.095 1.00 0.00 H new ATOM 0 HA ILE A 133 8.063 -6.788 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 133 9.148 -3.998 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.701 -6.526 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 133 10.720 -5.704 -7.847 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.818 -4.155 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 133 8.056 -4.285 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 133 9.024 -5.745 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 133 12.713 -5.126 -6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 133 11.699 -3.686 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 133 11.680 -4.521 -5.206 1.00 0.00 H new ATOM 881 N LYS A 134 6.006 -5.460 -5.820 1.00 0.00 N ATOM 882 CA LYS A 134 4.688 -4.932 -5.436 1.00 0.00 C ATOM 883 C LYS A 134 4.669 -4.586 -3.943 1.00 0.00 C ATOM 884 O LYS A 134 5.334 -5.231 -3.128 1.00 0.00 O ATOM 885 CB LYS A 134 3.596 -5.979 -5.737 1.00 0.00 C ATOM 886 CG LYS A 134 3.512 -6.399 -7.216 1.00 0.00 C ATOM 887 CD LYS A 134 2.466 -7.498 -7.467 1.00 0.00 C ATOM 888 CE LYS A 134 1.021 -7.108 -7.121 1.00 0.00 C ATOM 889 NZ LYS A 134 0.497 -6.040 -8.013 1.00 0.00 N ATOM 0 H LYS A 134 6.363 -6.125 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 134 4.492 -4.028 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.781 -6.865 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.630 -5.578 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.268 -5.527 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.489 -6.753 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 134 2.508 -7.785 -8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.739 -8.378 -6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 134 0.382 -7.988 -7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 134 0.976 -6.769 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.480 -5.810 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 1.090 -5.191 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 0.514 -6.372 -8.999 1.00 0.00 H new ATOM 903 N ALA A 135 3.876 -3.582 -3.578 1.00 0.00 N ATOM 904 CA ALA A 135 3.617 -3.221 -2.184 1.00 0.00 C ATOM 905 C ALA A 135 2.852 -4.341 -1.450 1.00 0.00 C ATOM 906 O ALA A 135 2.163 -5.154 -2.076 1.00 0.00 O ATOM 907 CB ALA A 135 2.837 -1.900 -2.163 1.00 0.00 C ATOM 0 H ALA A 135 3.389 -2.988 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 135 4.562 -3.093 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.634 -1.614 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.427 -1.121 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.895 -2.025 -2.697 1.00 0.00 H new ATOM 913 N MET A 136 2.952 -4.376 -0.118 1.00 0.00 N ATOM 914 CA MET A 136 2.235 -5.357 0.709 1.00 0.00 C ATOM 915 C MET A 136 0.704 -5.151 0.582 1.00 0.00 C ATOM 916 O MET A 136 0.217 -4.049 0.870 1.00 0.00 O ATOM 917 CB MET A 136 2.726 -5.282 2.167 1.00 0.00 C ATOM 918 CG MET A 136 2.762 -6.671 2.816 1.00 0.00 C ATOM 919 SD MET A 136 4.005 -7.783 2.090 1.00 0.00 S ATOM 920 CE MET A 136 3.710 -9.281 3.064 1.00 0.00 C ATOM 0 H MET A 136 3.530 -3.728 0.418 1.00 0.00 H new ATOM 0 HA MET A 136 2.450 -6.364 0.351 1.00 0.00 H new ATOM 0 HB2 MET A 136 3.722 -4.839 2.195 1.00 0.00 H new ATOM 0 HB3 MET A 136 2.070 -4.627 2.741 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.964 -6.560 3.881 1.00 0.00 H new ATOM 0 HG3 MET A 136 1.778 -7.131 2.725 1.00 0.00 H new ATOM 0 HE1 MET A 136 4.395 -10.065 2.742 1.00 0.00 H new ATOM 0 HE2 MET A 136 3.875 -9.067 4.120 1.00 0.00 H new ATOM 0 HE3 MET A 136 2.683 -9.614 2.917 1.00 0.00 H new