USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=9 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 Set 1.1: A 117 THR OG1 : rot -65:sc=0.000636 USER MOD Set 1.2: A 127 CYS SG : rot 180:sc=0.000699 USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0253) 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 150:sc= 0.582 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 121 TYR OH : 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) USER MOD Single : A 134 LYS NZ :NH3+ -118:sc= 0.0331 (180deg=0) USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 87 8.474 4.123 -1.221 1.00 0.00 N ATOM 101 CA PHE A 87 9.202 2.989 -0.642 1.00 0.00 C ATOM 102 C PHE A 87 10.377 3.442 0.247 1.00 0.00 C ATOM 103 O PHE A 87 10.999 4.480 -0.009 1.00 0.00 O ATOM 104 CB PHE A 87 9.713 2.082 -1.772 1.00 0.00 C ATOM 105 CG PHE A 87 8.648 1.246 -2.460 1.00 0.00 C ATOM 106 CD1 PHE A 87 8.058 0.163 -1.779 1.00 0.00 C ATOM 107 CD2 PHE A 87 8.273 1.518 -3.790 1.00 0.00 C ATOM 108 CE1 PHE A 87 7.103 -0.646 -2.422 1.00 0.00 C ATOM 109 CE2 PHE A 87 7.317 0.709 -4.433 1.00 0.00 C ATOM 110 CZ PHE A 87 6.736 -0.375 -3.750 1.00 0.00 C ATOM 0 HA PHE A 87 8.511 2.439 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.205 2.703 -2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.471 1.413 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.340 -0.047 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.719 2.348 -4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.653 -1.474 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.029 0.921 -5.452 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.008 -0.999 -4.247 1.00 0.00 H new ATOM 120 N LYS A 88 10.719 2.645 1.268 1.00 0.00 N ATOM 121 CA LYS A 88 11.860 2.877 2.179 1.00 0.00 C ATOM 122 C LYS A 88 12.647 1.595 2.487 1.00 0.00 C ATOM 123 O LYS A 88 12.144 0.484 2.317 1.00 0.00 O ATOM 124 CB LYS A 88 11.333 3.563 3.452 1.00 0.00 C ATOM 125 CG LYS A 88 10.396 2.657 4.271 1.00 0.00 C ATOM 126 CD LYS A 88 9.525 3.420 5.274 1.00 0.00 C ATOM 127 CE LYS A 88 8.130 3.792 4.742 1.00 0.00 C ATOM 128 NZ LYS A 88 8.159 4.813 3.663 1.00 0.00 N ATOM 0 H LYS A 88 10.199 1.797 1.494 1.00 0.00 H new ATOM 0 HA LYS A 88 12.580 3.531 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.177 3.863 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.801 4.473 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.750 2.105 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.994 1.921 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.409 2.814 6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.044 4.332 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.641 2.893 4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.523 4.164 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.186 5.054 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.643 5.667 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.669 4.434 2.840 1.00 0.00 H new ATOM 142 N ALA A 89 13.892 1.739 2.945 1.00 0.00 N ATOM 143 CA ALA A 89 14.735 0.610 3.347 1.00 0.00 C ATOM 144 C ALA A 89 14.157 -0.142 4.567 1.00 0.00 C ATOM 145 O ALA A 89 13.581 0.462 5.477 1.00 0.00 O ATOM 146 CB ALA A 89 16.151 1.127 3.622 1.00 0.00 C ATOM 0 H ALA A 89 14.347 2.646 3.048 1.00 0.00 H new ATOM 0 HA ALA A 89 14.765 -0.116 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.790 0.296 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.553 1.585 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.119 1.868 4.421 1.00 0.00 H new ATOM 152 N GLY A 90 14.311 -1.469 4.584 1.00 0.00 N ATOM 153 CA GLY A 90 13.792 -2.384 5.610 1.00 0.00 C ATOM 154 C GLY A 90 12.313 -2.773 5.441 1.00 0.00 C ATOM 155 O GLY A 90 11.843 -3.691 6.114 1.00 0.00 O ATOM 0 H GLY A 90 14.824 -1.959 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.395 -3.292 5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.922 -1.921 6.588 1.00 0.00 H new ATOM 159 N GLU A 91 11.576 -2.092 4.558 1.00 0.00 N ATOM 160 CA GLU A 91 10.139 -2.285 4.326 1.00 0.00 C ATOM 161 C GLU A 91 9.822 -3.631 3.656 1.00 0.00 C ATOM 162 O GLU A 91 10.431 -3.997 2.647 1.00 0.00 O ATOM 163 CB GLU A 91 9.640 -1.117 3.468 1.00 0.00 C ATOM 164 CG GLU A 91 8.120 -1.085 3.275 1.00 0.00 C ATOM 165 CD GLU A 91 7.665 0.268 2.692 1.00 0.00 C ATOM 166 OE1 GLU A 91 8.338 0.802 1.779 1.00 0.00 O ATOM 167 OE2 GLU A 91 6.636 0.811 3.163 1.00 0.00 O ATOM 0 H GLU A 91 11.976 -1.366 3.964 1.00 0.00 H new ATOM 0 HA GLU A 91 9.626 -2.305 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.956 -0.181 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.118 -1.169 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.818 -1.892 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.625 -1.258 4.230 1.00 0.00 H new ATOM 174 N GLU A 92 8.854 -4.364 4.212 1.00 0.00 N ATOM 175 CA GLU A 92 8.378 -5.649 3.688 1.00 0.00 C ATOM 176 C GLU A 92 7.448 -5.480 2.470 1.00 0.00 C ATOM 177 O GLU A 92 6.613 -4.572 2.412 1.00 0.00 O ATOM 178 CB GLU A 92 7.733 -6.489 4.805 1.00 0.00 C ATOM 179 CG GLU A 92 6.544 -5.824 5.522 1.00 0.00 C ATOM 180 CD GLU A 92 6.012 -6.666 6.702 1.00 0.00 C ATOM 181 OE1 GLU A 92 6.053 -7.921 6.656 1.00 0.00 O ATOM 182 OE2 GLU A 92 5.546 -6.067 7.703 1.00 0.00 O ATOM 0 H GLU A 92 8.367 -4.074 5.060 1.00 0.00 H new ATOM 0 HA GLU A 92 9.247 -6.197 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.397 -7.434 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.496 -6.727 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.849 -4.844 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.739 -5.660 4.806 1.00 0.00 H new ATOM 189 N VAL A 93 7.614 -6.368 1.487 1.00 0.00 N ATOM 190 CA VAL A 93 7.025 -6.308 0.138 1.00 0.00 C ATOM 191 C VAL A 93 6.789 -7.716 -0.432 1.00 0.00 C ATOM 192 O VAL A 93 7.240 -8.716 0.134 1.00 0.00 O ATOM 193 CB VAL A 93 7.945 -5.507 -0.823 1.00 0.00 C ATOM 194 CG1 VAL A 93 8.030 -4.024 -0.441 1.00 0.00 C ATOM 195 CG2 VAL A 93 9.373 -6.066 -0.925 1.00 0.00 C ATOM 0 H VAL A 93 8.195 -7.197 1.614 1.00 0.00 H new ATOM 0 HA VAL A 93 6.063 -5.802 0.223 1.00 0.00 H new ATOM 0 HB VAL A 93 7.468 -5.613 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.684 -3.505 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.035 -3.581 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.432 -3.931 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.955 -5.454 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.841 -6.050 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.337 -7.092 -1.292 1.00 0.00 H new ATOM 205 N LEU A 94 6.103 -7.797 -1.575 1.00 0.00 N ATOM 206 CA LEU A 94 5.989 -9.011 -2.389 1.00 0.00 C ATOM 207 C LEU A 94 6.921 -8.858 -3.597 1.00 0.00 C ATOM 208 O LEU A 94 6.985 -7.783 -4.194 1.00 0.00 O ATOM 209 CB LEU A 94 4.535 -9.206 -2.875 1.00 0.00 C ATOM 210 CG LEU A 94 3.529 -9.839 -1.896 1.00 0.00 C ATOM 211 CD1 LEU A 94 3.898 -11.281 -1.544 1.00 0.00 C ATOM 212 CD2 LEU A 94 3.360 -9.045 -0.608 1.00 0.00 C ATOM 0 H LEU A 94 5.600 -7.002 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 94 6.266 -9.882 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.147 -8.231 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.562 -9.823 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 94 2.579 -9.827 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.161 -11.687 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.914 -11.884 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.883 -11.301 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.638 -9.546 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.319 -8.977 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.002 -8.043 -0.843 1.00 0.00 H new ATOM 224 N ALA A 95 7.626 -9.918 -3.989 1.00 0.00 N ATOM 225 CA ALA A 95 8.508 -9.890 -5.157 1.00 0.00 C ATOM 226 C ALA A 95 8.611 -11.256 -5.860 1.00 0.00 C ATOM 227 O ALA A 95 8.367 -12.306 -5.259 1.00 0.00 O ATOM 228 CB ALA A 95 9.873 -9.345 -4.713 1.00 0.00 C ATOM 0 H ALA A 95 7.603 -10.818 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 95 8.084 -9.229 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.548 -9.315 -5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.750 -8.339 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.291 -9.994 -3.943 1.00 0.00 H new ATOM 234 N ARG A 96 8.945 -11.235 -7.157 1.00 0.00 N ATOM 235 CA ARG A 96 9.035 -12.423 -8.031 1.00 0.00 C ATOM 236 C ARG A 96 10.428 -13.071 -7.952 1.00 0.00 C ATOM 237 O ARG A 96 11.416 -12.364 -7.754 1.00 0.00 O ATOM 238 CB ARG A 96 8.704 -11.984 -9.472 1.00 0.00 C ATOM 239 CG ARG A 96 8.303 -13.169 -10.364 1.00 0.00 C ATOM 240 CD ARG A 96 8.049 -12.772 -11.822 1.00 0.00 C ATOM 241 NE ARG A 96 6.842 -11.937 -11.987 1.00 0.00 N ATOM 242 CZ ARG A 96 6.328 -11.542 -13.138 1.00 0.00 C ATOM 243 NH1 ARG A 96 6.861 -11.864 -14.284 1.00 0.00 N ATOM 244 NH2 ARG A 96 5.258 -10.806 -13.170 1.00 0.00 N ATOM 0 H ARG A 96 9.167 -10.368 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 96 8.322 -13.178 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.892 -11.257 -9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.570 -11.483 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.091 -13.922 -10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.403 -13.632 -9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.915 -12.230 -12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.947 -13.673 -12.426 1.00 0.00 H new ATOM 0 HE ARG A 96 6.363 -11.639 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.703 -12.439 -14.311 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.436 -11.541 -15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.805 -10.527 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.871 -10.507 -14.065 1.00 0.00 H new ATOM 258 N TRP A 97 10.523 -14.393 -8.147 1.00 0.00 N ATOM 259 CA TRP A 97 11.817 -15.112 -8.100 1.00 0.00 C ATOM 260 C TRP A 97 11.973 -16.276 -9.098 1.00 0.00 C ATOM 261 O TRP A 97 13.016 -16.372 -9.749 1.00 0.00 O ATOM 262 CB TRP A 97 12.061 -15.606 -6.666 1.00 0.00 C ATOM 263 CG TRP A 97 13.497 -15.796 -6.273 1.00 0.00 C ATOM 264 CD1 TRP A 97 14.159 -16.973 -6.189 1.00 0.00 C ATOM 265 CD2 TRP A 97 14.449 -14.776 -5.837 1.00 0.00 C ATOM 266 NE1 TRP A 97 15.438 -16.756 -5.708 1.00 0.00 N ATOM 267 CE2 TRP A 97 15.654 -15.423 -5.424 1.00 0.00 C ATOM 268 CE3 TRP A 97 14.408 -13.371 -5.723 1.00 0.00 C ATOM 269 CZ2 TRP A 97 16.727 -14.718 -4.859 1.00 0.00 C ATOM 270 CZ3 TRP A 97 15.467 -12.657 -5.132 1.00 0.00 C ATOM 271 CH2 TRP A 97 16.608 -13.332 -4.667 1.00 0.00 C ATOM 0 H TRP A 97 9.721 -14.993 -8.340 1.00 0.00 H new ATOM 0 HA TRP A 97 12.569 -14.387 -8.412 1.00 0.00 H new ATOM 0 HB2 TRP A 97 11.607 -14.896 -5.975 1.00 0.00 H new ATOM 0 HB3 TRP A 97 11.540 -16.555 -6.536 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.751 -17.936 -6.457 1.00 0.00 H new ATOM 0 HE1 TRP A 97 16.135 -17.490 -5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 97 13.549 -12.833 -6.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 17.632 -15.234 -4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 15.402 -11.583 -5.035 1.00 0.00 H new ATOM 0 HH2 TRP A 97 17.392 -12.786 -4.163 1.00 0.00 H new ATOM 282 N THR A 98 10.957 -17.140 -9.252 1.00 0.00 N ATOM 283 CA THR A 98 11.077 -18.405 -10.030 1.00 0.00 C ATOM 284 C THR A 98 9.827 -18.773 -10.851 1.00 0.00 C ATOM 285 O THR A 98 9.835 -19.758 -11.591 1.00 0.00 O ATOM 286 CB THR A 98 11.419 -19.609 -9.114 1.00 0.00 C ATOM 287 OG1 THR A 98 12.065 -19.239 -7.909 1.00 0.00 O ATOM 288 CG2 THR A 98 12.363 -20.607 -9.788 1.00 0.00 C ATOM 0 H THR A 98 10.032 -16.993 -8.848 1.00 0.00 H new ATOM 0 HA THR A 98 11.888 -18.204 -10.730 1.00 0.00 H new ATOM 0 HB THR A 98 10.444 -20.050 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 98 12.251 -20.041 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 98 12.570 -21.430 -9.104 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.896 -20.996 -10.693 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.296 -20.107 -10.048 1.00 0.00 H new ATOM 296 N ASP A 99 8.733 -18.017 -10.724 1.00 0.00 N ATOM 297 CA ASP A 99 7.405 -18.346 -11.265 1.00 0.00 C ATOM 298 C ASP A 99 6.552 -17.071 -11.459 1.00 0.00 C ATOM 299 O ASP A 99 6.983 -15.973 -11.102 1.00 0.00 O ATOM 300 CB ASP A 99 6.742 -19.334 -10.280 1.00 0.00 C ATOM 301 CG ASP A 99 5.390 -19.867 -10.767 1.00 0.00 C ATOM 302 OD1 ASP A 99 5.291 -20.311 -11.934 1.00 0.00 O ATOM 303 OD2 ASP A 99 4.409 -19.784 -9.994 1.00 0.00 O ATOM 0 H ASP A 99 8.745 -17.128 -10.225 1.00 0.00 H new ATOM 0 HA ASP A 99 7.493 -18.804 -12.250 1.00 0.00 H new ATOM 0 HB2 ASP A 99 7.416 -20.174 -10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.604 -18.839 -9.319 1.00 0.00 H new ATOM 308 N CYS A 100 5.335 -17.192 -12.002 1.00 0.00 N ATOM 309 CA CYS A 100 4.339 -16.112 -12.038 1.00 0.00 C ATOM 310 C CYS A 100 3.947 -15.607 -10.626 1.00 0.00 C ATOM 311 O CYS A 100 3.633 -14.426 -10.451 1.00 0.00 O ATOM 312 CB CYS A 100 3.122 -16.638 -12.819 1.00 0.00 C ATOM 313 SG CYS A 100 1.923 -15.312 -13.150 1.00 0.00 S ATOM 0 H CYS A 100 5.008 -18.056 -12.436 1.00 0.00 H new ATOM 0 HA CYS A 100 4.764 -15.240 -12.535 1.00 0.00 H new ATOM 0 HB2 CYS A 100 3.453 -17.075 -13.761 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.639 -17.434 -12.251 1.00 0.00 H new ATOM 0 HG CYS A 100 0.913 -15.795 -13.811 1.00 0.00 H new ATOM 319 N ARG A 101 3.998 -16.487 -9.612 1.00 0.00 N ATOM 320 CA ARG A 101 3.809 -16.170 -8.180 1.00 0.00 C ATOM 321 C ARG A 101 4.783 -15.099 -7.661 1.00 0.00 C ATOM 322 O ARG A 101 5.905 -14.956 -8.152 1.00 0.00 O ATOM 323 CB ARG A 101 3.985 -17.455 -7.351 1.00 0.00 C ATOM 324 CG ARG A 101 2.816 -18.441 -7.491 1.00 0.00 C ATOM 325 CD ARG A 101 3.197 -19.785 -6.856 1.00 0.00 C ATOM 326 NE ARG A 101 2.097 -20.766 -6.925 1.00 0.00 N ATOM 327 CZ ARG A 101 1.794 -21.557 -7.942 1.00 0.00 C ATOM 328 NH1 ARG A 101 2.413 -21.511 -9.087 1.00 0.00 N ATOM 329 NH2 ARG A 101 0.835 -22.430 -7.822 1.00 0.00 N ATOM 0 H ARG A 101 4.179 -17.478 -9.770 1.00 0.00 H new ATOM 0 HA ARG A 101 2.803 -15.765 -8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.906 -17.951 -7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 101 4.100 -17.187 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.927 -18.038 -7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.570 -18.581 -8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 101 4.074 -20.189 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.475 -19.627 -5.814 1.00 0.00 H new ATOM 0 HE ARG A 101 1.505 -20.843 -6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.170 -20.843 -9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.141 -22.143 -9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.319 -22.503 -6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.600 -23.040 -8.605 1.00 0.00 H new ATOM 343 N TYR A 102 4.378 -14.435 -6.578 1.00 0.00 N ATOM 344 CA TYR A 102 5.209 -13.525 -5.783 1.00 0.00 C ATOM 345 C TYR A 102 5.317 -14.051 -4.343 1.00 0.00 C ATOM 346 O TYR A 102 4.432 -14.766 -3.861 1.00 0.00 O ATOM 347 CB TYR A 102 4.616 -12.104 -5.788 1.00 0.00 C ATOM 348 CG TYR A 102 4.329 -11.518 -7.159 1.00 0.00 C ATOM 349 CD1 TYR A 102 3.072 -11.729 -7.761 1.00 0.00 C ATOM 350 CD2 TYR A 102 5.306 -10.753 -7.827 1.00 0.00 C ATOM 351 CE1 TYR A 102 2.798 -11.196 -9.035 1.00 0.00 C ATOM 352 CE2 TYR A 102 5.037 -10.220 -9.102 1.00 0.00 C ATOM 353 CZ TYR A 102 3.785 -10.445 -9.709 1.00 0.00 C ATOM 354 OH TYR A 102 3.528 -9.933 -10.942 1.00 0.00 O ATOM 0 H TYR A 102 3.428 -14.518 -6.216 1.00 0.00 H new ATOM 0 HA TYR A 102 6.204 -13.480 -6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.688 -12.115 -5.216 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.305 -11.440 -5.266 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.317 -12.301 -7.243 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.263 -10.575 -7.360 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.835 -11.361 -9.495 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.789 -9.639 -9.615 1.00 0.00 H new ATOM 0 HH TYR A 102 4.038 -9.105 -11.065 1.00 0.00 H new ATOM 364 N TYR A 103 6.388 -13.673 -3.647 1.00 0.00 N ATOM 365 CA TYR A 103 6.773 -14.223 -2.344 1.00 0.00 C ATOM 366 C TYR A 103 7.210 -13.109 -1.374 1.00 0.00 C ATOM 367 O TYR A 103 7.635 -12.040 -1.833 1.00 0.00 O ATOM 368 CB TYR A 103 7.915 -15.229 -2.562 1.00 0.00 C ATOM 369 CG TYR A 103 7.595 -16.369 -3.513 1.00 0.00 C ATOM 370 CD1 TYR A 103 6.930 -17.515 -3.034 1.00 0.00 C ATOM 371 CD2 TYR A 103 7.950 -16.280 -4.875 1.00 0.00 C ATOM 372 CE1 TYR A 103 6.625 -18.572 -3.914 1.00 0.00 C ATOM 373 CE2 TYR A 103 7.643 -17.334 -5.758 1.00 0.00 C ATOM 374 CZ TYR A 103 6.983 -18.486 -5.276 1.00 0.00 C ATOM 375 OH TYR A 103 6.693 -19.517 -6.115 1.00 0.00 O ATOM 0 H TYR A 103 7.031 -12.956 -3.982 1.00 0.00 H new ATOM 0 HA TYR A 103 5.915 -14.722 -1.893 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.784 -14.692 -2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.197 -15.650 -1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.654 -17.583 -1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 103 8.459 -15.401 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.116 -19.450 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 103 7.912 -17.261 -6.801 1.00 0.00 H new ATOM 0 HH TYR A 103 7.004 -19.301 -7.019 1.00 0.00 H new ATOM 385 N PRO A 104 7.119 -13.323 -0.046 1.00 0.00 N ATOM 386 CA PRO A 104 7.479 -12.311 0.945 1.00 0.00 C ATOM 387 C PRO A 104 8.986 -12.011 0.937 1.00 0.00 C ATOM 388 O PRO A 104 9.832 -12.910 0.973 1.00 0.00 O ATOM 389 CB PRO A 104 7.002 -12.857 2.295 1.00 0.00 C ATOM 390 CG PRO A 104 6.981 -14.370 2.090 1.00 0.00 C ATOM 391 CD PRO A 104 6.602 -14.514 0.618 1.00 0.00 C ATOM 0 HA PRO A 104 7.005 -11.355 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.677 -12.572 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.015 -12.475 2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.951 -14.819 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.255 -14.855 2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.034 -15.419 0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.521 -14.590 0.498 1.00 0.00 H new ATOM 399 N ALA A 105 9.304 -10.720 0.923 1.00 0.00 N ATOM 400 CA ALA A 105 10.654 -10.165 0.898 1.00 0.00 C ATOM 401 C ALA A 105 10.685 -8.797 1.611 1.00 0.00 C ATOM 402 O ALA A 105 9.651 -8.299 2.069 1.00 0.00 O ATOM 403 CB ALA A 105 11.077 -10.047 -0.576 1.00 0.00 C ATOM 0 H ALA A 105 8.588 -9.993 0.929 1.00 0.00 H new ATOM 0 HA ALA A 105 11.352 -10.812 1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.084 -9.634 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.062 -11.034 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.385 -9.389 -1.102 1.00 0.00 H new ATOM 409 N LYS A 106 11.857 -8.161 1.686 1.00 0.00 N ATOM 410 CA LYS A 106 12.011 -6.762 2.119 1.00 0.00 C ATOM 411 C LYS A 106 13.080 -6.023 1.316 1.00 0.00 C ATOM 412 O LYS A 106 14.021 -6.636 0.811 1.00 0.00 O ATOM 413 CB LYS A 106 12.258 -6.661 3.633 1.00 0.00 C ATOM 414 CG LYS A 106 13.523 -7.377 4.136 1.00 0.00 C ATOM 415 CD LYS A 106 13.893 -6.946 5.563 1.00 0.00 C ATOM 416 CE LYS A 106 12.763 -7.201 6.571 1.00 0.00 C ATOM 417 NZ LYS A 106 13.118 -6.704 7.924 1.00 0.00 N ATOM 0 H LYS A 106 12.742 -8.607 1.445 1.00 0.00 H new ATOM 0 HA LYS A 106 11.065 -6.261 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.323 -5.608 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.394 -7.073 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.364 -8.455 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 106 14.354 -7.162 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 106 14.786 -7.484 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 106 14.143 -5.885 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.852 -6.710 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.551 -8.269 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.333 -6.892 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.974 -7.191 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.296 -5.680 7.882 1.00 0.00 H new ATOM 431 N ILE A 107 12.918 -4.708 1.193 1.00 0.00 N ATOM 432 CA ILE A 107 13.834 -3.820 0.465 1.00 0.00 C ATOM 433 C ILE A 107 15.111 -3.593 1.285 1.00 0.00 C ATOM 434 O ILE A 107 15.063 -3.095 2.409 1.00 0.00 O ATOM 435 CB ILE A 107 13.122 -2.496 0.104 1.00 0.00 C ATOM 436 CG1 ILE A 107 11.913 -2.778 -0.826 1.00 0.00 C ATOM 437 CG2 ILE A 107 14.107 -1.529 -0.576 1.00 0.00 C ATOM 438 CD1 ILE A 107 11.096 -1.542 -1.222 1.00 0.00 C ATOM 0 H ILE A 107 12.127 -4.213 1.606 1.00 0.00 H new ATOM 0 HA ILE A 107 14.131 -4.291 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 107 12.758 -2.031 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 107 12.277 -3.260 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.251 -3.489 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 107 13.592 -0.601 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 107 14.933 -1.315 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.494 -1.985 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 107 10.274 -1.842 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 107 10.696 -1.068 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.737 -0.836 -1.750 1.00 0.00 H new ATOM 450 N GLU A 108 16.264 -3.923 0.706 1.00 0.00 N ATOM 451 CA GLU A 108 17.593 -3.675 1.282 1.00 0.00 C ATOM 452 C GLU A 108 18.203 -2.348 0.799 1.00 0.00 C ATOM 453 O GLU A 108 18.932 -1.702 1.557 1.00 0.00 O ATOM 454 CB GLU A 108 18.537 -4.829 0.907 1.00 0.00 C ATOM 455 CG GLU A 108 18.172 -6.162 1.574 1.00 0.00 C ATOM 456 CD GLU A 108 18.290 -6.092 3.110 1.00 0.00 C ATOM 457 OE1 GLU A 108 19.420 -5.906 3.626 1.00 0.00 O ATOM 458 OE2 GLU A 108 17.256 -6.207 3.811 1.00 0.00 O ATOM 0 H GLU A 108 16.305 -4.384 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 108 17.472 -3.610 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.527 -4.959 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.556 -4.559 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.153 -6.437 1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.826 -6.948 1.196 1.00 0.00 H new ATOM 465 N ALA A 109 17.896 -1.920 -0.433 1.00 0.00 N ATOM 466 CA ALA A 109 18.344 -0.643 -0.999 1.00 0.00 C ATOM 467 C ALA A 109 17.421 -0.126 -2.120 1.00 0.00 C ATOM 468 O ALA A 109 16.743 -0.900 -2.804 1.00 0.00 O ATOM 469 CB ALA A 109 19.780 -0.798 -1.524 1.00 0.00 C ATOM 0 H ALA A 109 17.318 -2.463 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 109 18.309 0.099 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 109 20.117 0.149 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.438 -1.085 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 109 19.804 -1.568 -2.295 1.00 0.00 H new ATOM 475 N ILE A 110 17.456 1.193 -2.334 1.00 0.00 N ATOM 476 CA ILE A 110 16.647 1.945 -3.306 1.00 0.00 C ATOM 477 C ILE A 110 17.574 2.898 -4.071 1.00 0.00 C ATOM 478 O ILE A 110 18.359 3.616 -3.454 1.00 0.00 O ATOM 479 CB ILE A 110 15.526 2.738 -2.583 1.00 0.00 C ATOM 480 CG1 ILE A 110 14.611 1.781 -1.787 1.00 0.00 C ATOM 481 CG2 ILE A 110 14.719 3.578 -3.593 1.00 0.00 C ATOM 482 CD1 ILE A 110 13.455 2.450 -1.039 1.00 0.00 C ATOM 0 H ILE A 110 18.083 1.800 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 110 16.168 1.256 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 110 15.987 3.424 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.198 1.044 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 110 15.222 1.237 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.938 4.127 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 110 15.383 4.282 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.265 2.919 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.875 1.692 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 110 13.853 3.166 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.813 2.969 -1.751 1.00 0.00 H new ATOM 566 N PHE A 116 16.507 -1.564 -7.682 1.00 0.00 N ATOM 567 CA PHE A 116 16.266 -1.874 -6.264 1.00 0.00 C ATOM 568 C PHE A 116 17.050 -3.130 -5.849 1.00 0.00 C ATOM 569 O PHE A 116 17.405 -3.961 -6.689 1.00 0.00 O ATOM 570 CB PHE A 116 14.764 -2.103 -6.018 1.00 0.00 C ATOM 571 CG PHE A 116 13.895 -0.864 -6.104 1.00 0.00 C ATOM 572 CD1 PHE A 116 13.539 -0.321 -7.354 1.00 0.00 C ATOM 573 CD2 PHE A 116 13.422 -0.260 -4.923 1.00 0.00 C ATOM 574 CE1 PHE A 116 12.743 0.836 -7.421 1.00 0.00 C ATOM 575 CE2 PHE A 116 12.610 0.885 -4.991 1.00 0.00 C ATOM 576 CZ PHE A 116 12.275 1.439 -6.239 1.00 0.00 C ATOM 0 HA PHE A 116 16.605 -1.028 -5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 116 14.401 -2.832 -6.743 1.00 0.00 H new ATOM 0 HB3 PHE A 116 14.638 -2.546 -5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 116 13.878 -0.795 -8.263 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.684 -0.678 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.491 1.262 -8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 116 12.243 1.340 -4.083 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.660 2.325 -6.290 1.00 0.00 H new ATOM 586 N THR A 117 17.264 -3.309 -4.544 1.00 0.00 N ATOM 587 CA THR A 117 17.846 -4.533 -3.956 1.00 0.00 C ATOM 588 C THR A 117 16.915 -5.056 -2.869 1.00 0.00 C ATOM 589 O THR A 117 16.390 -4.271 -2.079 1.00 0.00 O ATOM 590 CB THR A 117 19.242 -4.267 -3.365 1.00 0.00 C ATOM 591 OG1 THR A 117 20.060 -3.598 -4.300 1.00 0.00 O ATOM 592 CG2 THR A 117 19.978 -5.551 -2.982 1.00 0.00 C ATOM 0 H THR A 117 17.036 -2.599 -3.848 1.00 0.00 H new ATOM 0 HA THR A 117 17.957 -5.276 -4.746 1.00 0.00 H new ATOM 0 HB THR A 117 19.069 -3.664 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 117 20.220 -4.181 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 117 20.956 -5.301 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.399 -6.094 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 117 20.105 -6.175 -3.866 1.00 0.00 H new ATOM 600 N VAL A 118 16.710 -6.373 -2.817 1.00 0.00 N ATOM 601 CA VAL A 118 15.749 -7.035 -1.920 1.00 0.00 C ATOM 602 C VAL A 118 16.314 -8.330 -1.333 1.00 0.00 C ATOM 603 O VAL A 118 17.131 -9.008 -1.957 1.00 0.00 O ATOM 604 CB VAL A 118 14.416 -7.346 -2.641 1.00 0.00 C ATOM 605 CG1 VAL A 118 13.587 -6.087 -2.918 1.00 0.00 C ATOM 606 CG2 VAL A 118 14.600 -8.087 -3.971 1.00 0.00 C ATOM 0 H VAL A 118 17.218 -7.029 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 118 15.560 -6.333 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 118 13.887 -7.994 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.663 -6.364 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.350 -5.593 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.158 -5.407 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.625 -8.273 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.202 -7.479 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.104 -9.037 -3.792 1.00 0.00 H new ATOM 616 N GLN A 119 15.825 -8.696 -0.146 1.00 0.00 N ATOM 617 CA GLN A 119 16.146 -9.936 0.565 1.00 0.00 C ATOM 618 C GLN A 119 14.865 -10.744 0.804 1.00 0.00 C ATOM 619 O GLN A 119 13.868 -10.209 1.295 1.00 0.00 O ATOM 620 CB GLN A 119 16.871 -9.602 1.880 1.00 0.00 C ATOM 621 CG GLN A 119 17.166 -10.851 2.731 1.00 0.00 C ATOM 622 CD GLN A 119 18.009 -10.543 3.969 1.00 0.00 C ATOM 623 OE1 GLN A 119 19.035 -9.876 3.921 1.00 0.00 O ATOM 624 NE2 GLN A 119 17.616 -11.020 5.132 1.00 0.00 N ATOM 0 H GLN A 119 15.166 -8.111 0.368 1.00 0.00 H new ATOM 0 HA GLN A 119 16.815 -10.551 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 119 17.808 -9.092 1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 119 16.262 -8.908 2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 119 16.224 -11.303 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 119 17.686 -11.587 2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 119 16.764 -11.578 5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 119 18.163 -10.832 5.972 1.00 0.00 H new ATOM 633 N PHE A 120 14.895 -12.030 0.456 1.00 0.00 N ATOM 634 CA PHE A 120 13.748 -12.945 0.531 1.00 0.00 C ATOM 635 C PHE A 120 13.732 -13.751 1.841 1.00 0.00 C ATOM 636 O PHE A 120 14.707 -13.761 2.597 1.00 0.00 O ATOM 637 CB PHE A 120 13.765 -13.862 -0.708 1.00 0.00 C ATOM 638 CG PHE A 120 13.050 -13.279 -1.916 1.00 0.00 C ATOM 639 CD1 PHE A 120 13.447 -12.042 -2.462 1.00 0.00 C ATOM 640 CD2 PHE A 120 11.972 -13.979 -2.495 1.00 0.00 C ATOM 641 CE1 PHE A 120 12.768 -11.506 -3.569 1.00 0.00 C ATOM 642 CE2 PHE A 120 11.310 -13.449 -3.617 1.00 0.00 C ATOM 643 CZ PHE A 120 11.710 -12.218 -4.155 1.00 0.00 C ATOM 0 H PHE A 120 15.740 -12.480 0.104 1.00 0.00 H new ATOM 0 HA PHE A 120 12.828 -12.361 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 120 14.800 -14.073 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.303 -14.815 -0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 120 14.277 -11.504 -2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 120 11.654 -14.923 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 120 13.060 -10.546 -3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 120 10.491 -13.992 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.204 -11.817 -5.021 1.00 0.00 H new ATOM 653 N TYR A 121 12.624 -14.452 2.104 1.00 0.00 N ATOM 654 CA TYR A 121 12.425 -15.292 3.296 1.00 0.00 C ATOM 655 C TYR A 121 13.478 -16.407 3.492 1.00 0.00 C ATOM 656 O TYR A 121 13.717 -16.834 4.624 1.00 0.00 O ATOM 657 CB TYR A 121 11.000 -15.868 3.274 1.00 0.00 C ATOM 658 CG TYR A 121 10.740 -16.916 2.202 1.00 0.00 C ATOM 659 CD1 TYR A 121 10.311 -16.534 0.915 1.00 0.00 C ATOM 660 CD2 TYR A 121 10.935 -18.280 2.499 1.00 0.00 C ATOM 661 CE1 TYR A 121 10.091 -17.512 -0.075 1.00 0.00 C ATOM 662 CE2 TYR A 121 10.709 -19.261 1.514 1.00 0.00 C ATOM 663 CZ TYR A 121 10.288 -18.878 0.221 1.00 0.00 C ATOM 664 OH TYR A 121 10.060 -19.817 -0.736 1.00 0.00 O ATOM 0 H TYR A 121 11.818 -14.453 1.479 1.00 0.00 H new ATOM 0 HA TYR A 121 12.562 -14.642 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.788 -16.308 4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.296 -15.047 3.135 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.151 -15.490 0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.259 -18.574 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.771 -17.216 -1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.857 -20.305 1.747 1.00 0.00 H new ATOM 0 HH TYR A 121 10.244 -20.708 -0.371 1.00 0.00 H new ATOM 674 N ASP A 122 14.144 -16.859 2.422 1.00 0.00 N ATOM 675 CA ASP A 122 15.281 -17.798 2.479 1.00 0.00 C ATOM 676 C ASP A 122 16.594 -17.164 2.998 1.00 0.00 C ATOM 677 O ASP A 122 17.552 -17.882 3.296 1.00 0.00 O ATOM 678 CB ASP A 122 15.520 -18.393 1.080 1.00 0.00 C ATOM 679 CG ASP A 122 14.452 -19.418 0.669 1.00 0.00 C ATOM 680 OD1 ASP A 122 14.286 -20.440 1.379 1.00 0.00 O ATOM 681 OD2 ASP A 122 13.816 -19.232 -0.395 1.00 0.00 O ATOM 0 H ASP A 122 13.906 -16.579 1.471 1.00 0.00 H new ATOM 0 HA ASP A 122 15.008 -18.571 3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.541 -17.586 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.500 -18.870 1.057 1.00 0.00 H new ATOM 686 N GLY A 123 16.666 -15.831 3.090 1.00 0.00 N ATOM 687 CA GLY A 123 17.840 -15.059 3.522 1.00 0.00 C ATOM 688 C GLY A 123 18.725 -14.548 2.373 1.00 0.00 C ATOM 689 O GLY A 123 19.567 -13.676 2.589 1.00 0.00 O ATOM 0 H GLY A 123 15.873 -15.233 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.502 -14.206 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.446 -15.681 4.181 1.00 0.00 H new ATOM 693 N VAL A 124 18.536 -15.071 1.155 1.00 0.00 N ATOM 694 CA VAL A 124 19.231 -14.655 -0.079 1.00 0.00 C ATOM 695 C VAL A 124 18.883 -13.214 -0.494 1.00 0.00 C ATOM 696 O VAL A 124 17.759 -12.754 -0.277 1.00 0.00 O ATOM 697 CB VAL A 124 18.931 -15.669 -1.205 1.00 0.00 C ATOM 698 CG1 VAL A 124 17.449 -15.713 -1.608 1.00 0.00 C ATOM 699 CG2 VAL A 124 19.783 -15.434 -2.458 1.00 0.00 C ATOM 0 H VAL A 124 17.869 -15.825 0.991 1.00 0.00 H new ATOM 0 HA VAL A 124 20.303 -14.652 0.117 1.00 0.00 H new ATOM 0 HB VAL A 124 19.196 -16.634 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.310 -16.446 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.846 -15.995 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.139 -14.730 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 124 19.529 -16.176 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 124 19.588 -14.435 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 124 20.839 -15.523 -2.202 1.00 0.00 H new ATOM 709 N ILE A 125 19.840 -12.515 -1.121 1.00 0.00 N ATOM 710 CA ILE A 125 19.745 -11.109 -1.544 1.00 0.00 C ATOM 711 C ILE A 125 20.093 -10.977 -3.035 1.00 0.00 C ATOM 712 O ILE A 125 21.136 -11.475 -3.473 1.00 0.00 O ATOM 713 CB ILE A 125 20.687 -10.204 -0.703 1.00 0.00 C ATOM 714 CG1 ILE A 125 20.631 -10.466 0.821 1.00 0.00 C ATOM 715 CG2 ILE A 125 20.349 -8.724 -0.955 1.00 0.00 C ATOM 716 CD1 ILE A 125 21.691 -11.460 1.317 1.00 0.00 C ATOM 0 H ILE A 125 20.741 -12.931 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 125 18.718 -10.780 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 125 21.697 -10.450 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 125 20.758 -9.520 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 125 19.642 -10.844 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 125 21.012 -8.093 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 125 20.480 -8.496 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 125 19.315 -8.533 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 125 21.589 -11.593 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 125 21.552 -12.419 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 125 22.685 -11.074 1.091 1.00 0.00 H new ATOM 728 N ARG A 126 19.247 -10.282 -3.811 1.00 0.00 N ATOM 729 CA ARG A 126 19.452 -9.959 -5.241 1.00 0.00 C ATOM 730 C ARG A 126 18.854 -8.595 -5.610 1.00 0.00 C ATOM 731 O ARG A 126 18.008 -8.052 -4.895 1.00 0.00 O ATOM 732 CB ARG A 126 18.802 -11.038 -6.139 1.00 0.00 C ATOM 733 CG ARG A 126 19.482 -12.420 -6.151 1.00 0.00 C ATOM 734 CD ARG A 126 20.868 -12.431 -6.808 1.00 0.00 C ATOM 735 NE ARG A 126 20.789 -12.156 -8.257 1.00 0.00 N ATOM 736 CZ ARG A 126 21.788 -12.182 -9.122 1.00 0.00 C ATOM 737 NH1 ARG A 126 23.014 -12.439 -8.761 1.00 0.00 N ATOM 738 NH2 ARG A 126 21.570 -11.948 -10.384 1.00 0.00 N ATOM 0 H ARG A 126 18.367 -9.913 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 126 20.529 -9.929 -5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 126 17.768 -11.169 -5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 126 18.776 -10.661 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.575 -12.776 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 126 18.838 -13.125 -6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.503 -11.685 -6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.339 -13.401 -6.647 1.00 0.00 H new ATOM 0 HE ARG A 126 19.868 -11.922 -8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 126 23.228 -12.629 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 126 23.759 -12.450 -9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 126 20.625 -11.743 -10.709 1.00 0.00 H new ATOM 0 HH22 ARG A 126 22.344 -11.969 -11.048 1.00 0.00 H new ATOM 752 N CYS A 127 19.273 -8.059 -6.754 1.00 0.00 N ATOM 753 CA CYS A 127 18.646 -6.891 -7.377 1.00 0.00 C ATOM 754 C CYS A 127 17.402 -7.307 -8.186 1.00 0.00 C ATOM 755 O CYS A 127 17.403 -8.365 -8.824 1.00 0.00 O ATOM 756 CB CYS A 127 19.665 -6.182 -8.281 1.00 0.00 C ATOM 757 SG CYS A 127 21.085 -5.603 -7.304 1.00 0.00 S ATOM 0 H CYS A 127 20.065 -8.426 -7.282 1.00 0.00 H new ATOM 0 HA CYS A 127 18.323 -6.203 -6.595 1.00 0.00 H new ATOM 0 HB2 CYS A 127 20.006 -6.864 -9.060 1.00 0.00 H new ATOM 0 HB3 CYS A 127 19.191 -5.337 -8.781 1.00 0.00 H new ATOM 0 HG CYS A 127 21.936 -5.008 -8.086 1.00 0.00 H new ATOM 763 N LEU A 128 16.367 -6.461 -8.211 1.00 0.00 N ATOM 764 CA LEU A 128 15.153 -6.631 -9.029 1.00 0.00 C ATOM 765 C LEU A 128 14.611 -5.271 -9.491 1.00 0.00 C ATOM 766 O LEU A 128 14.659 -4.284 -8.755 1.00 0.00 O ATOM 767 CB LEU A 128 14.047 -7.355 -8.228 1.00 0.00 C ATOM 768 CG LEU A 128 14.196 -8.875 -8.042 1.00 0.00 C ATOM 769 CD1 LEU A 128 12.982 -9.396 -7.272 1.00 0.00 C ATOM 770 CD2 LEU A 128 14.252 -9.644 -9.364 1.00 0.00 C ATOM 0 H LEU A 128 16.347 -5.612 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 128 15.428 -7.230 -9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 128 13.990 -6.897 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 128 13.094 -7.167 -8.722 1.00 0.00 H new ATOM 0 HG LEU A 128 15.136 -9.034 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 128 13.074 -10.473 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.931 -8.907 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.074 -9.179 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 128 14.357 -10.710 -9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 128 13.334 -9.471 -9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.105 -9.300 -9.949 1.00 0.00 H new ATOM 782 N LYS A 129 14.057 -5.224 -10.707 1.00 0.00 N ATOM 783 CA LYS A 129 13.341 -4.047 -11.225 1.00 0.00 C ATOM 784 C LYS A 129 12.013 -3.834 -10.490 1.00 0.00 C ATOM 785 O LYS A 129 11.413 -4.781 -9.976 1.00 0.00 O ATOM 786 CB LYS A 129 13.081 -4.207 -12.734 1.00 0.00 C ATOM 787 CG LYS A 129 14.374 -4.314 -13.559 1.00 0.00 C ATOM 788 CD LYS A 129 14.112 -4.253 -15.071 1.00 0.00 C ATOM 789 CE LYS A 129 13.249 -5.424 -15.564 1.00 0.00 C ATOM 790 NZ LYS A 129 13.055 -5.371 -17.036 1.00 0.00 N ATOM 0 H LYS A 129 14.091 -6.003 -11.365 1.00 0.00 H new ATOM 0 HA LYS A 129 13.969 -3.172 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.476 -5.098 -12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.500 -3.356 -13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 129 15.049 -3.506 -13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.879 -5.250 -13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.616 -3.313 -15.313 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.064 -4.258 -15.602 1.00 0.00 H new ATOM 0 HE2 LYS A 129 13.723 -6.367 -15.291 1.00 0.00 H new ATOM 0 HE3 LYS A 129 12.280 -5.399 -15.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 12.468 -6.175 -17.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 12.581 -4.481 -17.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 13.979 -5.420 -17.510 1.00 0.00 H new ATOM 804 N ARG A 130 11.485 -2.607 -10.540 1.00 0.00 N ATOM 805 CA ARG A 130 10.121 -2.261 -10.081 1.00 0.00 C ATOM 806 C ARG A 130 8.998 -3.063 -10.763 1.00 0.00 C ATOM 807 O ARG A 130 7.921 -3.219 -10.192 1.00 0.00 O ATOM 808 CB ARG A 130 9.903 -0.749 -10.185 1.00 0.00 C ATOM 809 CG ARG A 130 9.944 -0.208 -11.621 1.00 0.00 C ATOM 810 CD ARG A 130 9.862 1.315 -11.544 1.00 0.00 C ATOM 811 NE ARG A 130 9.965 1.936 -12.879 1.00 0.00 N ATOM 812 CZ ARG A 130 10.180 3.215 -13.137 1.00 0.00 C ATOM 813 NH1 ARG A 130 10.305 4.104 -12.192 1.00 0.00 N ATOM 814 NH2 ARG A 130 10.274 3.632 -14.367 1.00 0.00 N ATOM 0 H ARG A 130 11.998 -1.805 -10.907 1.00 0.00 H new ATOM 0 HA ARG A 130 10.058 -2.558 -9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 130 8.939 -0.500 -9.742 1.00 0.00 H new ATOM 0 HB3 ARG A 130 10.666 -0.241 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.862 -0.517 -12.120 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.114 -0.607 -12.204 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.920 1.606 -11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 130 10.662 1.691 -10.905 1.00 0.00 H new ATOM 0 HE ARG A 130 9.860 1.317 -13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 130 10.238 3.822 -11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.470 5.082 -12.430 1.00 0.00 H new ATOM 0 HH21 ARG A 130 10.182 2.971 -15.138 1.00 0.00 H new ATOM 0 HH22 ARG A 130 10.440 4.620 -14.559 1.00 0.00 H new ATOM 828 N MET A 131 9.264 -3.627 -11.945 1.00 0.00 N ATOM 829 CA MET A 131 8.392 -4.576 -12.658 1.00 0.00 C ATOM 830 C MET A 131 8.220 -5.932 -11.936 1.00 0.00 C ATOM 831 O MET A 131 7.329 -6.707 -12.291 1.00 0.00 O ATOM 832 CB MET A 131 8.938 -4.823 -14.078 1.00 0.00 C ATOM 833 CG MET A 131 8.953 -3.573 -14.970 1.00 0.00 C ATOM 834 SD MET A 131 10.315 -2.404 -14.687 1.00 0.00 S ATOM 835 CE MET A 131 9.882 -1.137 -15.909 1.00 0.00 C ATOM 0 H MET A 131 10.125 -3.430 -12.454 1.00 0.00 H new ATOM 0 HA MET A 131 7.406 -4.112 -12.693 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.952 -5.215 -14.003 1.00 0.00 H new ATOM 0 HB3 MET A 131 8.334 -5.592 -14.559 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.988 -3.895 -16.011 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.011 -3.042 -14.832 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.617 -0.333 -15.876 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.873 -1.580 -16.905 1.00 0.00 H new ATOM 0 HE3 MET A 131 8.894 -0.735 -15.682 1.00 0.00 H new ATOM 845 N HIS A 132 9.045 -6.221 -10.922 1.00 0.00 N ATOM 846 CA HIS A 132 9.125 -7.510 -10.212 1.00 0.00 C ATOM 847 C HIS A 132 8.996 -7.374 -8.683 1.00 0.00 C ATOM 848 O HIS A 132 9.226 -8.343 -7.958 1.00 0.00 O ATOM 849 CB HIS A 132 10.435 -8.214 -10.609 1.00 0.00 C ATOM 850 CG HIS A 132 10.571 -8.458 -12.094 1.00 0.00 C ATOM 851 ND1 HIS A 132 11.581 -7.948 -12.917 1.00 0.00 N ATOM 852 CD2 HIS A 132 9.717 -9.206 -12.853 1.00 0.00 C ATOM 853 CE1 HIS A 132 11.312 -8.408 -14.152 1.00 0.00 C ATOM 854 NE2 HIS A 132 10.199 -9.161 -14.144 1.00 0.00 N ATOM 0 H HIS A 132 9.705 -5.535 -10.556 1.00 0.00 H new ATOM 0 HA HIS A 132 8.271 -8.116 -10.515 1.00 0.00 H new ATOM 0 HB2 HIS A 132 11.278 -7.611 -10.271 1.00 0.00 H new ATOM 0 HB3 HIS A 132 10.496 -9.169 -10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.837 -9.730 -12.510 1.00 0.00 H new ATOM 0 HE1 HIS A 132 11.908 -8.201 -15.029 1.00 0.00 H new ATOM 0 HE2 HIS A 132 9.782 -9.620 -14.954 1.00 0.00 H new ATOM 862 N ILE A 133 8.598 -6.191 -8.198 1.00 0.00 N ATOM 863 CA ILE A 133 8.373 -5.853 -6.781 1.00 0.00 C ATOM 864 C ILE A 133 7.007 -5.153 -6.657 1.00 0.00 C ATOM 865 O ILE A 133 6.650 -4.318 -7.492 1.00 0.00 O ATOM 866 CB ILE A 133 9.504 -4.942 -6.230 1.00 0.00 C ATOM 867 CG1 ILE A 133 10.918 -5.539 -6.448 1.00 0.00 C ATOM 868 CG2 ILE A 133 9.276 -4.664 -4.728 1.00 0.00 C ATOM 869 CD1 ILE A 133 12.059 -4.576 -6.091 1.00 0.00 C ATOM 0 H ILE A 133 8.414 -5.399 -8.814 1.00 0.00 H new ATOM 0 HA ILE A 133 8.380 -6.768 -6.188 1.00 0.00 H new ATOM 0 HB ILE A 133 9.461 -4.009 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 133 11.017 -6.443 -5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 133 11.020 -5.837 -7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 133 10.074 -4.025 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 133 8.316 -4.165 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 133 9.276 -5.606 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 133 13.017 -5.065 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 133 11.987 -3.681 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 133 11.984 -4.297 -5.040 1.00 0.00 H new ATOM 881 N LYS A 134 6.247 -5.477 -5.607 1.00 0.00 N ATOM 882 CA LYS A 134 4.897 -4.962 -5.323 1.00 0.00 C ATOM 883 C LYS A 134 4.746 -4.617 -3.842 1.00 0.00 C ATOM 884 O LYS A 134 5.271 -5.310 -2.967 1.00 0.00 O ATOM 885 CB LYS A 134 3.843 -6.023 -5.681 1.00 0.00 C ATOM 886 CG LYS A 134 3.799 -6.429 -7.166 1.00 0.00 C ATOM 887 CD LYS A 134 2.947 -7.686 -7.410 1.00 0.00 C ATOM 888 CE LYS A 134 1.519 -7.565 -6.862 1.00 0.00 C ATOM 889 NZ LYS A 134 0.703 -8.756 -7.212 1.00 0.00 N ATOM 0 H LYS A 134 6.567 -6.135 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 134 4.751 -4.064 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.030 -6.915 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.861 -5.647 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.398 -5.603 -7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.814 -6.608 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 134 2.903 -7.884 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.435 -8.543 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 134 1.552 -7.450 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 134 1.048 -6.668 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.098 -8.465 -7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 1.291 -9.439 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 0.344 -9.198 -6.342 1.00 0.00 H new ATOM 903 N ALA A 135 3.970 -3.577 -3.559 1.00 0.00 N ATOM 904 CA ALA A 135 3.545 -3.243 -2.202 1.00 0.00 C ATOM 905 C ALA A 135 2.587 -4.318 -1.649 1.00 0.00 C ATOM 906 O ALA A 135 1.823 -4.938 -2.398 1.00 0.00 O ATOM 907 CB ALA A 135 2.888 -1.857 -2.221 1.00 0.00 C ATOM 0 H ALA A 135 3.615 -2.936 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 135 4.409 -3.218 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.565 -1.594 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.607 -1.119 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.025 -1.873 -2.886 1.00 0.00 H new ATOM 913 N MET A 136 2.608 -4.527 -0.331 1.00 0.00 N ATOM 914 CA MET A 136 1.668 -5.425 0.354 1.00 0.00 C ATOM 915 C MET A 136 0.209 -4.922 0.271 1.00 0.00 C ATOM 916 O MET A 136 -0.021 -3.707 0.311 1.00 0.00 O ATOM 917 CB MET A 136 2.097 -5.601 1.820 1.00 0.00 C ATOM 918 CG MET A 136 3.063 -6.780 1.921 1.00 0.00 C ATOM 919 SD MET A 136 3.628 -7.198 3.584 1.00 0.00 S ATOM 920 CE MET A 136 4.552 -8.694 3.147 1.00 0.00 C ATOM 0 H MET A 136 3.277 -4.079 0.295 1.00 0.00 H new ATOM 0 HA MET A 136 1.698 -6.389 -0.154 1.00 0.00 H new ATOM 0 HB2 MET A 136 2.575 -4.691 2.184 1.00 0.00 H new ATOM 0 HB3 MET A 136 1.224 -5.776 2.449 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.580 -7.658 1.491 1.00 0.00 H new ATOM 0 HG3 MET A 136 3.936 -6.563 1.306 1.00 0.00 H new ATOM 0 HE1 MET A 136 4.994 -9.124 4.046 1.00 0.00 H new ATOM 0 HE2 MET A 136 3.877 -9.419 2.692 1.00 0.00 H new ATOM 0 HE3 MET A 136 5.342 -8.440 2.440 1.00 0.00 H new