USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=11 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 -74:sc= 0.879 USER MOD Set 1.2: A 127 CYS SG : rot 180:sc= 0.749 USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0.924 (180deg=0.912) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot 180:sc= 0.0388 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+ -141:sc= 1.05 (180deg=0.209) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.041) 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=-0.33) USER MOD Single : A 134 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.142) USER MOD Single : A 136 MET CE :methyl -171:sc= 0 (180deg=-0.067) USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 87 8.087 3.567 -1.049 1.00 0.00 N ATOM 101 CA PHE A 87 8.979 2.490 -0.599 1.00 0.00 C ATOM 102 C PHE A 87 10.201 3.019 0.175 1.00 0.00 C ATOM 103 O PHE A 87 10.767 4.064 -0.172 1.00 0.00 O ATOM 104 CB PHE A 87 9.438 1.647 -1.800 1.00 0.00 C ATOM 105 CG PHE A 87 8.355 0.807 -2.457 1.00 0.00 C ATOM 106 CD1 PHE A 87 7.772 -0.264 -1.753 1.00 0.00 C ATOM 107 CD2 PHE A 87 7.956 1.067 -3.783 1.00 0.00 C ATOM 108 CE1 PHE A 87 6.805 -1.077 -2.370 1.00 0.00 C ATOM 109 CE2 PHE A 87 6.988 0.253 -4.399 1.00 0.00 C ATOM 110 CZ PHE A 87 6.419 -0.824 -3.696 1.00 0.00 C ATOM 0 HA PHE A 87 8.408 1.868 0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 87 9.862 2.314 -2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.240 0.985 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.069 -0.462 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.393 1.891 -4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.359 -1.896 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.681 0.456 -5.414 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.686 -1.456 -4.176 1.00 0.00 H new ATOM 120 N LYS A 88 10.640 2.271 1.197 1.00 0.00 N ATOM 121 CA LYS A 88 11.795 2.605 2.051 1.00 0.00 C ATOM 122 C LYS A 88 12.589 1.364 2.472 1.00 0.00 C ATOM 123 O LYS A 88 12.053 0.256 2.522 1.00 0.00 O ATOM 124 CB LYS A 88 11.327 3.472 3.244 1.00 0.00 C ATOM 125 CG LYS A 88 10.286 2.850 4.202 1.00 0.00 C ATOM 126 CD LYS A 88 10.855 1.985 5.338 1.00 0.00 C ATOM 127 CE LYS A 88 11.666 2.815 6.344 1.00 0.00 C ATOM 128 NZ LYS A 88 12.318 1.948 7.357 1.00 0.00 N ATOM 0 H LYS A 88 10.192 1.394 1.462 1.00 0.00 H new ATOM 0 HA LYS A 88 12.502 3.198 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.205 3.744 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.910 4.397 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.699 3.656 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.599 2.240 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.037 1.485 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.490 1.205 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.424 3.393 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.010 3.529 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.802 2.541 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.598 1.366 7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.011 1.329 6.890 1.00 0.00 H new ATOM 142 N ALA A 89 13.874 1.547 2.778 1.00 0.00 N ATOM 143 CA ALA A 89 14.761 0.465 3.210 1.00 0.00 C ATOM 144 C ALA A 89 14.298 -0.147 4.549 1.00 0.00 C ATOM 145 O ALA A 89 14.016 0.572 5.514 1.00 0.00 O ATOM 146 CB ALA A 89 16.194 1.007 3.297 1.00 0.00 C ATOM 0 H ALA A 89 14.332 2.457 2.733 1.00 0.00 H new ATOM 0 HA ALA A 89 14.728 -0.343 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.865 0.211 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.505 1.371 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.231 1.825 4.017 1.00 0.00 H new ATOM 152 N GLY A 90 14.196 -1.474 4.604 1.00 0.00 N ATOM 153 CA GLY A 90 13.699 -2.243 5.751 1.00 0.00 C ATOM 154 C GLY A 90 12.210 -2.613 5.669 1.00 0.00 C ATOM 155 O GLY A 90 11.735 -3.396 6.494 1.00 0.00 O ATOM 0 H GLY A 90 14.467 -2.069 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.284 -3.158 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.868 -1.666 6.660 1.00 0.00 H new ATOM 159 N GLU A 91 11.462 -2.080 4.698 1.00 0.00 N ATOM 160 CA GLU A 91 10.035 -2.376 4.505 1.00 0.00 C ATOM 161 C GLU A 91 9.800 -3.766 3.884 1.00 0.00 C ATOM 162 O GLU A 91 10.429 -4.136 2.890 1.00 0.00 O ATOM 163 CB GLU A 91 9.411 -1.276 3.633 1.00 0.00 C ATOM 164 CG GLU A 91 7.887 -1.408 3.518 1.00 0.00 C ATOM 165 CD GLU A 91 7.262 -0.123 2.948 1.00 0.00 C ATOM 166 OE1 GLU A 91 7.685 0.328 1.858 1.00 0.00 O ATOM 167 OE2 GLU A 91 6.343 0.440 3.591 1.00 0.00 O ATOM 0 H GLU A 91 11.834 -1.422 4.013 1.00 0.00 H new ATOM 0 HA GLU A 91 9.555 -2.394 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.657 -0.301 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.851 -1.314 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.639 -2.253 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.462 -1.619 4.499 1.00 0.00 H new ATOM 174 N GLU A 92 8.876 -4.536 4.467 1.00 0.00 N ATOM 175 CA GLU A 92 8.406 -5.821 3.930 1.00 0.00 C ATOM 176 C GLU A 92 7.393 -5.622 2.782 1.00 0.00 C ATOM 177 O GLU A 92 6.476 -4.800 2.868 1.00 0.00 O ATOM 178 CB GLU A 92 7.808 -6.642 5.082 1.00 0.00 C ATOM 179 CG GLU A 92 7.444 -8.078 4.685 1.00 0.00 C ATOM 180 CD GLU A 92 7.020 -8.893 5.920 1.00 0.00 C ATOM 181 OE1 GLU A 92 5.835 -8.821 6.325 1.00 0.00 O ATOM 182 OE2 GLU A 92 7.875 -9.606 6.501 1.00 0.00 O ATOM 0 H GLU A 92 8.423 -4.280 5.344 1.00 0.00 H new ATOM 0 HA GLU A 92 9.247 -6.364 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.521 -6.671 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.915 -6.138 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.634 -8.065 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.298 -8.555 4.204 1.00 0.00 H new ATOM 189 N VAL A 93 7.562 -6.393 1.706 1.00 0.00 N ATOM 190 CA VAL A 93 6.885 -6.272 0.402 1.00 0.00 C ATOM 191 C VAL A 93 6.686 -7.654 -0.247 1.00 0.00 C ATOM 192 O VAL A 93 7.043 -8.681 0.338 1.00 0.00 O ATOM 193 CB VAL A 93 7.707 -5.358 -0.547 1.00 0.00 C ATOM 194 CG1 VAL A 93 7.797 -3.919 -0.030 1.00 0.00 C ATOM 195 CG2 VAL A 93 9.129 -5.877 -0.818 1.00 0.00 C ATOM 0 H VAL A 93 8.219 -7.173 1.718 1.00 0.00 H new ATOM 0 HA VAL A 93 5.905 -5.826 0.571 1.00 0.00 H new ATOM 0 HB VAL A 93 7.155 -5.374 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.381 -3.318 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.794 -3.501 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.280 -3.913 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.646 -5.190 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.676 -5.947 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.075 -6.863 -1.280 1.00 0.00 H new ATOM 205 N LEU A 94 6.142 -7.694 -1.468 1.00 0.00 N ATOM 206 CA LEU A 94 6.112 -8.890 -2.317 1.00 0.00 C ATOM 207 C LEU A 94 7.035 -8.676 -3.526 1.00 0.00 C ATOM 208 O LEU A 94 7.129 -7.567 -4.056 1.00 0.00 O ATOM 209 CB LEU A 94 4.676 -9.193 -2.786 1.00 0.00 C ATOM 210 CG LEU A 94 3.661 -9.480 -1.665 1.00 0.00 C ATOM 211 CD1 LEU A 94 2.261 -9.606 -2.268 1.00 0.00 C ATOM 212 CD2 LEU A 94 3.984 -10.777 -0.921 1.00 0.00 C ATOM 0 H LEU A 94 5.703 -6.882 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 94 6.462 -9.745 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.316 -8.346 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.705 -10.053 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 94 3.711 -8.653 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.541 -9.809 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.996 -8.675 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.248 -10.423 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.243 -10.942 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.964 -11.612 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.975 -10.702 -0.473 1.00 0.00 H new ATOM 224 N ALA A 95 7.697 -9.735 -3.988 1.00 0.00 N ATOM 225 CA ALA A 95 8.593 -9.678 -5.142 1.00 0.00 C ATOM 226 C ALA A 95 8.584 -10.982 -5.958 1.00 0.00 C ATOM 227 O ALA A 95 8.351 -12.073 -5.427 1.00 0.00 O ATOM 228 CB ALA A 95 10.003 -9.336 -4.644 1.00 0.00 C ATOM 0 H ALA A 95 7.627 -10.663 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 95 8.242 -8.903 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.687 -9.289 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.986 -8.371 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.340 -10.105 -3.949 1.00 0.00 H new ATOM 234 N ARG A 96 8.834 -10.853 -7.265 1.00 0.00 N ATOM 235 CA ARG A 96 8.988 -11.963 -8.221 1.00 0.00 C ATOM 236 C ARG A 96 10.403 -12.557 -8.138 1.00 0.00 C ATOM 237 O ARG A 96 11.342 -11.848 -7.768 1.00 0.00 O ATOM 238 CB ARG A 96 8.677 -11.412 -9.626 1.00 0.00 C ATOM 239 CG ARG A 96 8.393 -12.518 -10.649 1.00 0.00 C ATOM 240 CD ARG A 96 7.987 -11.929 -12.004 1.00 0.00 C ATOM 241 NE ARG A 96 7.721 -13.008 -12.969 1.00 0.00 N ATOM 242 CZ ARG A 96 7.513 -12.892 -14.266 1.00 0.00 C ATOM 243 NH1 ARG A 96 7.473 -11.736 -14.865 1.00 0.00 N ATOM 244 NH2 ARG A 96 7.339 -13.955 -14.999 1.00 0.00 N ATOM 0 H ARG A 96 8.939 -9.939 -7.706 1.00 0.00 H new ATOM 0 HA ARG A 96 8.300 -12.775 -7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.815 -10.747 -9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.519 -10.812 -9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.279 -13.140 -10.771 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.598 -13.165 -10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.098 -11.309 -11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.780 -11.283 -12.380 1.00 0.00 H new ATOM 0 HE ARG A 96 7.694 -13.955 -12.591 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.605 -10.879 -14.328 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.310 -11.688 -15.871 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.363 -14.880 -14.570 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.178 -13.862 -16.002 1.00 0.00 H new ATOM 258 N TRP A 97 10.572 -13.832 -8.506 1.00 0.00 N ATOM 259 CA TRP A 97 11.884 -14.511 -8.433 1.00 0.00 C ATOM 260 C TRP A 97 12.228 -15.412 -9.636 1.00 0.00 C ATOM 261 O TRP A 97 13.323 -15.279 -10.189 1.00 0.00 O ATOM 262 CB TRP A 97 11.962 -15.294 -7.115 1.00 0.00 C ATOM 263 CG TRP A 97 13.342 -15.540 -6.584 1.00 0.00 C ATOM 264 CD1 TRP A 97 13.979 -16.731 -6.548 1.00 0.00 C ATOM 265 CD2 TRP A 97 14.250 -14.587 -5.942 1.00 0.00 C ATOM 266 NE1 TRP A 97 15.200 -16.590 -5.914 1.00 0.00 N ATOM 267 CE2 TRP A 97 15.397 -15.297 -5.475 1.00 0.00 C ATOM 268 CE3 TRP A 97 14.210 -13.199 -5.682 1.00 0.00 C ATOM 269 CZ2 TRP A 97 16.415 -14.677 -4.734 1.00 0.00 C ATOM 270 CZ3 TRP A 97 15.212 -12.573 -4.915 1.00 0.00 C ATOM 271 CH2 TRP A 97 16.297 -13.314 -4.418 1.00 0.00 C ATOM 0 H TRP A 97 9.818 -14.421 -8.859 1.00 0.00 H new ATOM 0 HA TRP A 97 12.640 -13.727 -8.469 1.00 0.00 H new ATOM 0 HB2 TRP A 97 11.393 -14.753 -6.359 1.00 0.00 H new ATOM 0 HB3 TRP A 97 11.470 -16.257 -7.256 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.593 -17.654 -6.953 1.00 0.00 H new ATOM 0 HE1 TRP A 97 15.871 -17.347 -5.787 1.00 0.00 H new ATOM 0 HE3 TRP A 97 13.397 -12.608 -6.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 17.278 -15.241 -4.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 15.146 -11.515 -4.707 1.00 0.00 H new ATOM 0 HH2 TRP A 97 17.038 -12.837 -3.794 1.00 0.00 H new ATOM 282 N THR A 98 11.306 -16.280 -10.078 1.00 0.00 N ATOM 283 CA THR A 98 11.581 -17.304 -11.122 1.00 0.00 C ATOM 284 C THR A 98 10.410 -17.548 -12.088 1.00 0.00 C ATOM 285 O THR A 98 10.627 -17.875 -13.256 1.00 0.00 O ATOM 286 CB THR A 98 11.961 -18.656 -10.474 1.00 0.00 C ATOM 287 OG1 THR A 98 12.881 -18.494 -9.413 1.00 0.00 O ATOM 288 CG2 THR A 98 12.628 -19.625 -11.452 1.00 0.00 C ATOM 0 H THR A 98 10.348 -16.300 -9.729 1.00 0.00 H new ATOM 0 HA THR A 98 12.408 -16.897 -11.703 1.00 0.00 H new ATOM 0 HB THR A 98 11.009 -19.058 -10.126 1.00 0.00 H new ATOM 0 HG1 THR A 98 13.095 -19.370 -9.029 1.00 0.00 H new ATOM 0 HG21 THR A 98 12.870 -20.554 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.948 -19.835 -12.277 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.543 -19.177 -11.841 1.00 0.00 H new ATOM 296 N ASP A 99 9.168 -17.359 -11.635 1.00 0.00 N ATOM 297 CA ASP A 99 7.923 -17.659 -12.364 1.00 0.00 C ATOM 298 C ASP A 99 6.892 -16.533 -12.148 1.00 0.00 C ATOM 299 O ASP A 99 7.230 -15.473 -11.619 1.00 0.00 O ATOM 300 CB ASP A 99 7.386 -19.026 -11.892 1.00 0.00 C ATOM 301 CG ASP A 99 8.287 -20.194 -12.324 1.00 0.00 C ATOM 302 OD1 ASP A 99 8.207 -20.609 -13.506 1.00 0.00 O ATOM 303 OD2 ASP A 99 9.049 -20.721 -11.480 1.00 0.00 O ATOM 0 H ASP A 99 8.990 -16.975 -10.707 1.00 0.00 H new ATOM 0 HA ASP A 99 8.119 -17.713 -13.435 1.00 0.00 H new ATOM 0 HB2 ASP A 99 7.297 -19.022 -10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.384 -19.177 -12.293 1.00 0.00 H new ATOM 308 N CYS A 100 5.632 -16.721 -12.552 1.00 0.00 N ATOM 309 CA CYS A 100 4.527 -15.795 -12.257 1.00 0.00 C ATOM 310 C CYS A 100 4.218 -15.627 -10.749 1.00 0.00 C ATOM 311 O CYS A 100 3.516 -14.688 -10.364 1.00 0.00 O ATOM 312 CB CYS A 100 3.282 -16.260 -13.029 1.00 0.00 C ATOM 313 SG CYS A 100 2.780 -17.938 -12.527 1.00 0.00 S ATOM 0 H CYS A 100 5.344 -17.531 -13.101 1.00 0.00 H new ATOM 0 HA CYS A 100 4.839 -14.803 -12.584 1.00 0.00 H new ATOM 0 HB2 CYS A 100 2.461 -15.565 -12.853 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.488 -16.245 -14.099 1.00 0.00 H new ATOM 0 HG CYS A 100 1.725 -18.294 -13.198 1.00 0.00 H new ATOM 319 N ARG A 101 4.724 -16.533 -9.897 1.00 0.00 N ATOM 320 CA ARG A 101 4.616 -16.482 -8.429 1.00 0.00 C ATOM 321 C ARG A 101 5.320 -15.248 -7.843 1.00 0.00 C ATOM 322 O ARG A 101 6.396 -14.855 -8.302 1.00 0.00 O ATOM 323 CB ARG A 101 5.233 -17.761 -7.822 1.00 0.00 C ATOM 324 CG ARG A 101 4.548 -19.082 -8.219 1.00 0.00 C ATOM 325 CD ARG A 101 3.121 -19.204 -7.671 1.00 0.00 C ATOM 326 NE ARG A 101 2.534 -20.520 -7.995 1.00 0.00 N ATOM 327 CZ ARG A 101 1.416 -21.029 -7.505 1.00 0.00 C ATOM 328 NH1 ARG A 101 0.674 -20.385 -6.648 1.00 0.00 N ATOM 329 NH2 ARG A 101 1.017 -22.213 -7.872 1.00 0.00 N ATOM 0 H ARG A 101 5.238 -17.351 -10.223 1.00 0.00 H new ATOM 0 HA ARG A 101 3.558 -16.414 -8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.281 -17.813 -8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.212 -17.673 -6.736 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.522 -19.159 -9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.144 -19.918 -7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.131 -19.064 -6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.499 -18.413 -8.090 1.00 0.00 H new ATOM 0 HE ARG A 101 3.043 -21.096 -8.666 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.949 -19.455 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.182 -20.811 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.567 -22.752 -8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.154 -22.601 -7.491 1.00 0.00 H new ATOM 343 N TYR A 102 4.749 -14.706 -6.766 1.00 0.00 N ATOM 344 CA TYR A 102 5.360 -13.673 -5.921 1.00 0.00 C ATOM 345 C TYR A 102 5.558 -14.225 -4.501 1.00 0.00 C ATOM 346 O TYR A 102 4.824 -15.116 -4.059 1.00 0.00 O ATOM 347 CB TYR A 102 4.479 -12.410 -5.868 1.00 0.00 C ATOM 348 CG TYR A 102 4.115 -11.809 -7.213 1.00 0.00 C ATOM 349 CD1 TYR A 102 5.077 -11.089 -7.948 1.00 0.00 C ATOM 350 CD2 TYR A 102 2.807 -11.953 -7.720 1.00 0.00 C ATOM 351 CE1 TYR A 102 4.738 -10.528 -9.195 1.00 0.00 C ATOM 352 CE2 TYR A 102 2.464 -11.392 -8.965 1.00 0.00 C ATOM 353 CZ TYR A 102 3.433 -10.683 -9.709 1.00 0.00 C ATOM 354 OH TYR A 102 3.111 -10.135 -10.912 1.00 0.00 O ATOM 0 H TYR A 102 3.820 -14.981 -6.446 1.00 0.00 H new ATOM 0 HA TYR A 102 6.324 -13.400 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.558 -12.653 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 102 4.996 -11.652 -5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.076 -10.967 -7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.066 -12.495 -7.151 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.478 -9.979 -9.758 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.461 -11.504 -9.351 1.00 0.00 H new ATOM 0 HH TYR A 102 2.175 -10.334 -11.122 1.00 0.00 H new ATOM 364 N TYR A 103 6.528 -13.673 -3.775 1.00 0.00 N ATOM 365 CA TYR A 103 6.983 -14.172 -2.475 1.00 0.00 C ATOM 366 C TYR A 103 7.241 -13.018 -1.492 1.00 0.00 C ATOM 367 O TYR A 103 7.580 -11.915 -1.935 1.00 0.00 O ATOM 368 CB TYR A 103 8.283 -14.956 -2.694 1.00 0.00 C ATOM 369 CG TYR A 103 8.141 -16.203 -3.547 1.00 0.00 C ATOM 370 CD1 TYR A 103 7.724 -17.413 -2.959 1.00 0.00 C ATOM 371 CD2 TYR A 103 8.414 -16.149 -4.930 1.00 0.00 C ATOM 372 CE1 TYR A 103 7.578 -18.570 -3.750 1.00 0.00 C ATOM 373 CE2 TYR A 103 8.267 -17.303 -5.723 1.00 0.00 C ATOM 374 CZ TYR A 103 7.847 -18.516 -5.136 1.00 0.00 C ATOM 375 OH TYR A 103 7.700 -19.626 -5.906 1.00 0.00 O ATOM 0 H TYR A 103 7.035 -12.843 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 103 6.209 -14.809 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.014 -14.296 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.686 -15.242 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.516 -17.454 -1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 103 8.736 -15.222 -5.381 1.00 0.00 H new ATOM 0 HE1 TYR A 103 7.261 -19.498 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 103 8.476 -17.260 -6.782 1.00 0.00 H new ATOM 0 HH TYR A 103 7.925 -19.412 -6.835 1.00 0.00 H new ATOM 385 N PRO A 104 7.120 -13.248 -0.168 1.00 0.00 N ATOM 386 CA PRO A 104 7.428 -12.240 0.840 1.00 0.00 C ATOM 387 C PRO A 104 8.929 -11.918 0.850 1.00 0.00 C ATOM 388 O PRO A 104 9.782 -12.812 0.898 1.00 0.00 O ATOM 389 CB PRO A 104 6.940 -12.819 2.170 1.00 0.00 C ATOM 390 CG PRO A 104 7.014 -14.330 1.956 1.00 0.00 C ATOM 391 CD PRO A 104 6.704 -14.492 0.469 1.00 0.00 C ATOM 0 HA PRO A 104 6.933 -11.290 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.570 -12.501 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.924 -12.496 2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.999 -14.724 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.292 -14.860 2.577 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.240 -15.343 0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.641 -14.675 0.310 1.00 0.00 H new ATOM 399 N ALA A 105 9.242 -10.626 0.820 1.00 0.00 N ATOM 400 CA ALA A 105 10.598 -10.089 0.754 1.00 0.00 C ATOM 401 C ALA A 105 10.708 -8.781 1.553 1.00 0.00 C ATOM 402 O ALA A 105 9.703 -8.227 2.002 1.00 0.00 O ATOM 403 CB ALA A 105 10.947 -9.878 -0.728 1.00 0.00 C ATOM 0 H ALA A 105 8.530 -9.896 0.842 1.00 0.00 H new ATOM 0 HA ALA A 105 11.306 -10.786 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.957 -9.476 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.891 -10.831 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.240 -9.177 -1.172 1.00 0.00 H new ATOM 409 N LYS A 106 11.923 -8.256 1.704 1.00 0.00 N ATOM 410 CA LYS A 106 12.220 -6.983 2.373 1.00 0.00 C ATOM 411 C LYS A 106 13.169 -6.161 1.504 1.00 0.00 C ATOM 412 O LYS A 106 14.162 -6.695 1.008 1.00 0.00 O ATOM 413 CB LYS A 106 12.812 -7.291 3.759 1.00 0.00 C ATOM 414 CG LYS A 106 13.115 -6.015 4.559 1.00 0.00 C ATOM 415 CD LYS A 106 13.614 -6.309 5.982 1.00 0.00 C ATOM 416 CE LYS A 106 12.590 -6.992 6.901 1.00 0.00 C ATOM 417 NZ LYS A 106 11.359 -6.179 7.079 1.00 0.00 N ATOM 0 H LYS A 106 12.761 -8.720 1.352 1.00 0.00 H new ATOM 0 HA LYS A 106 11.317 -6.389 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.114 -7.912 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.728 -7.869 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.866 -5.429 4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.214 -5.403 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 106 14.500 -6.941 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.925 -5.371 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.324 -7.964 6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.045 -7.176 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.036 -6.250 8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.564 -5.185 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.615 -6.533 6.445 1.00 0.00 H new ATOM 431 N ILE A 107 12.863 -4.880 1.296 1.00 0.00 N ATOM 432 CA ILE A 107 13.712 -3.968 0.516 1.00 0.00 C ATOM 433 C ILE A 107 14.985 -3.643 1.310 1.00 0.00 C ATOM 434 O ILE A 107 14.919 -3.102 2.412 1.00 0.00 O ATOM 435 CB ILE A 107 12.936 -2.695 0.102 1.00 0.00 C ATOM 436 CG1 ILE A 107 11.724 -3.077 -0.784 1.00 0.00 C ATOM 437 CG2 ILE A 107 13.871 -1.731 -0.651 1.00 0.00 C ATOM 438 CD1 ILE A 107 10.875 -1.902 -1.289 1.00 0.00 C ATOM 0 H ILE A 107 12.019 -4.441 1.663 1.00 0.00 H new ATOM 0 HA ILE A 107 14.009 -4.460 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 107 12.568 -2.195 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 107 12.089 -3.635 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.080 -3.750 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 107 13.317 -0.838 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 107 14.702 -1.450 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.257 -2.222 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 107 10.055 -2.281 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 107 10.471 -1.353 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.495 -1.236 -1.889 1.00 0.00 H new ATOM 450 N GLU A 108 16.149 -3.947 0.739 1.00 0.00 N ATOM 451 CA GLU A 108 17.468 -3.647 1.314 1.00 0.00 C ATOM 452 C GLU A 108 18.053 -2.329 0.779 1.00 0.00 C ATOM 453 O GLU A 108 18.749 -1.625 1.516 1.00 0.00 O ATOM 454 CB GLU A 108 18.439 -4.797 0.996 1.00 0.00 C ATOM 455 CG GLU A 108 18.078 -6.126 1.678 1.00 0.00 C ATOM 456 CD GLU A 108 18.098 -6.019 3.216 1.00 0.00 C ATOM 457 OE1 GLU A 108 19.172 -5.710 3.791 1.00 0.00 O ATOM 458 OE2 GLU A 108 17.045 -6.238 3.861 1.00 0.00 O ATOM 0 H GLU A 108 16.207 -4.422 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 108 17.338 -3.539 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.465 -4.949 -0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.444 -4.505 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.088 -6.442 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.780 -6.897 1.361 1.00 0.00 H new ATOM 465 N ALA A 109 17.757 -1.970 -0.478 1.00 0.00 N ATOM 466 CA ALA A 109 18.164 -0.710 -1.107 1.00 0.00 C ATOM 467 C ALA A 109 17.240 -0.320 -2.278 1.00 0.00 C ATOM 468 O ALA A 109 16.530 -1.159 -2.838 1.00 0.00 O ATOM 469 CB ALA A 109 19.622 -0.830 -1.580 1.00 0.00 C ATOM 0 H ALA A 109 17.212 -2.566 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 109 18.081 0.085 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 109 19.930 0.104 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.266 -1.037 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 109 19.705 -1.643 -2.302 1.00 0.00 H new ATOM 475 N ILE A 110 17.269 0.962 -2.659 1.00 0.00 N ATOM 476 CA ILE A 110 16.359 1.577 -3.642 1.00 0.00 C ATOM 477 C ILE A 110 17.175 2.452 -4.602 1.00 0.00 C ATOM 478 O ILE A 110 17.804 3.426 -4.181 1.00 0.00 O ATOM 479 CB ILE A 110 15.256 2.396 -2.921 1.00 0.00 C ATOM 480 CG1 ILE A 110 14.412 1.474 -2.010 1.00 0.00 C ATOM 481 CG2 ILE A 110 14.366 3.127 -3.945 1.00 0.00 C ATOM 482 CD1 ILE A 110 13.324 2.178 -1.198 1.00 0.00 C ATOM 0 H ILE A 110 17.947 1.624 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 110 15.859 0.800 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 110 15.734 3.149 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 110 13.943 0.709 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 110 15.082 0.960 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.599 3.696 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 110 14.978 3.806 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 110 13.891 2.397 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.790 1.445 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 110 13.781 2.923 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.625 2.668 -1.875 1.00 0.00 H new ATOM 566 N PHE A 116 16.488 -1.665 -7.661 1.00 0.00 N ATOM 567 CA PHE A 116 16.165 -2.026 -6.277 1.00 0.00 C ATOM 568 C PHE A 116 16.983 -3.257 -5.848 1.00 0.00 C ATOM 569 O PHE A 116 17.419 -4.051 -6.685 1.00 0.00 O ATOM 570 CB PHE A 116 14.665 -2.345 -6.157 1.00 0.00 C ATOM 571 CG PHE A 116 13.726 -1.148 -6.159 1.00 0.00 C ATOM 572 CD1 PHE A 116 13.501 -0.412 -7.339 1.00 0.00 C ATOM 573 CD2 PHE A 116 13.038 -0.796 -4.980 1.00 0.00 C ATOM 574 CE1 PHE A 116 12.611 0.678 -7.334 1.00 0.00 C ATOM 575 CE2 PHE A 116 12.134 0.281 -4.981 1.00 0.00 C ATOM 576 CZ PHE A 116 11.923 1.022 -6.157 1.00 0.00 C ATOM 0 HA PHE A 116 16.412 -1.185 -5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 116 14.386 -3.001 -6.981 1.00 0.00 H new ATOM 0 HB3 PHE A 116 14.506 -2.905 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 116 14.013 -0.685 -8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.206 -1.356 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.456 1.251 -8.236 1.00 0.00 H new ATOM 0 HE2 PHE A 116 11.601 0.539 -4.078 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.234 1.854 -6.156 1.00 0.00 H new ATOM 586 N THR A 117 17.114 -3.465 -4.540 1.00 0.00 N ATOM 587 CA THR A 117 17.739 -4.652 -3.935 1.00 0.00 C ATOM 588 C THR A 117 16.816 -5.191 -2.849 1.00 0.00 C ATOM 589 O THR A 117 16.302 -4.419 -2.037 1.00 0.00 O ATOM 590 CB THR A 117 19.115 -4.318 -3.332 1.00 0.00 C ATOM 591 OG1 THR A 117 19.936 -3.645 -4.266 1.00 0.00 O ATOM 592 CG2 THR A 117 19.883 -5.559 -2.881 1.00 0.00 C ATOM 0 H THR A 117 16.780 -2.796 -3.846 1.00 0.00 H new ATOM 0 HA THR A 117 17.892 -5.402 -4.711 1.00 0.00 H new ATOM 0 HB THR A 117 18.899 -3.687 -2.469 1.00 0.00 H new ATOM 0 HG1 THR A 117 20.250 -4.280 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 117 20.845 -5.260 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.307 -6.087 -2.121 1.00 0.00 H new ATOM 0 HG23 THR A 117 20.046 -6.216 -3.735 1.00 0.00 H new ATOM 600 N VAL A 118 16.601 -6.507 -2.822 1.00 0.00 N ATOM 601 CA VAL A 118 15.662 -7.177 -1.910 1.00 0.00 C ATOM 602 C VAL A 118 16.265 -8.445 -1.310 1.00 0.00 C ATOM 603 O VAL A 118 17.072 -9.126 -1.946 1.00 0.00 O ATOM 604 CB VAL A 118 14.319 -7.515 -2.600 1.00 0.00 C ATOM 605 CG1 VAL A 118 13.574 -6.261 -3.071 1.00 0.00 C ATOM 606 CG2 VAL A 118 14.457 -8.462 -3.799 1.00 0.00 C ATOM 0 H VAL A 118 17.083 -7.154 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 118 15.464 -6.468 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 118 13.748 -8.022 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.638 -6.552 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.361 -5.621 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.192 -5.717 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.473 -8.651 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.100 -8.005 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.896 -9.404 -3.470 1.00 0.00 H new ATOM 616 N GLN A 119 15.820 -8.786 -0.101 1.00 0.00 N ATOM 617 CA GLN A 119 16.170 -10.009 0.621 1.00 0.00 C ATOM 618 C GLN A 119 14.907 -10.843 0.865 1.00 0.00 C ATOM 619 O GLN A 119 13.872 -10.314 1.276 1.00 0.00 O ATOM 620 CB GLN A 119 16.889 -9.636 1.929 1.00 0.00 C ATOM 621 CG GLN A 119 17.229 -10.861 2.796 1.00 0.00 C ATOM 622 CD GLN A 119 18.081 -10.509 4.016 1.00 0.00 C ATOM 623 OE1 GLN A 119 19.081 -9.805 3.942 1.00 0.00 O ATOM 624 NE2 GLN A 119 17.725 -10.986 5.191 1.00 0.00 N ATOM 0 H GLN A 119 15.178 -8.192 0.424 1.00 0.00 H new ATOM 0 HA GLN A 119 16.852 -10.621 0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 119 17.807 -9.099 1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 119 16.260 -8.955 2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 119 16.304 -11.332 3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 119 17.759 -11.594 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 119 16.896 -11.574 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 119 18.279 -10.767 6.019 1.00 0.00 H new ATOM 633 N PHE A 120 14.988 -12.147 0.606 1.00 0.00 N ATOM 634 CA PHE A 120 13.877 -13.095 0.760 1.00 0.00 C ATOM 635 C PHE A 120 13.880 -13.773 2.141 1.00 0.00 C ATOM 636 O PHE A 120 14.866 -13.726 2.880 1.00 0.00 O ATOM 637 CB PHE A 120 13.939 -14.129 -0.380 1.00 0.00 C ATOM 638 CG PHE A 120 13.126 -13.771 -1.616 1.00 0.00 C ATOM 639 CD1 PHE A 120 13.116 -12.455 -2.127 1.00 0.00 C ATOM 640 CD2 PHE A 120 12.368 -14.768 -2.260 1.00 0.00 C ATOM 641 CE1 PHE A 120 12.327 -12.136 -3.245 1.00 0.00 C ATOM 642 CE2 PHE A 120 11.606 -14.452 -3.398 1.00 0.00 C ATOM 643 CZ PHE A 120 11.562 -13.131 -3.875 1.00 0.00 C ATOM 0 H PHE A 120 15.846 -12.588 0.275 1.00 0.00 H new ATOM 0 HA PHE A 120 12.937 -12.546 0.698 1.00 0.00 H new ATOM 0 HB2 PHE A 120 14.980 -14.262 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.590 -15.089 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 120 13.717 -11.691 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.372 -15.778 -1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 120 12.309 -11.124 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 120 11.053 -15.227 -3.907 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.942 -12.882 -4.723 1.00 0.00 H new ATOM 653 N TYR A 121 12.774 -14.449 2.467 1.00 0.00 N ATOM 654 CA TYR A 121 12.582 -15.236 3.695 1.00 0.00 C ATOM 655 C TYR A 121 13.675 -16.298 3.952 1.00 0.00 C ATOM 656 O TYR A 121 13.972 -16.616 5.105 1.00 0.00 O ATOM 657 CB TYR A 121 11.188 -15.888 3.642 1.00 0.00 C ATOM 658 CG TYR A 121 10.982 -16.861 2.490 1.00 0.00 C ATOM 659 CD1 TYR A 121 11.309 -18.223 2.650 1.00 0.00 C ATOM 660 CD2 TYR A 121 10.491 -16.402 1.249 1.00 0.00 C ATOM 661 CE1 TYR A 121 11.158 -19.120 1.574 1.00 0.00 C ATOM 662 CE2 TYR A 121 10.342 -17.295 0.170 1.00 0.00 C ATOM 663 CZ TYR A 121 10.674 -18.657 0.331 1.00 0.00 C ATOM 664 OH TYR A 121 10.531 -19.525 -0.707 1.00 0.00 O ATOM 0 H TYR A 121 11.954 -14.465 1.861 1.00 0.00 H new ATOM 0 HA TYR A 121 12.663 -14.547 4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 121 11.013 -16.415 4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.437 -15.101 3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 121 11.677 -18.580 3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.228 -15.362 1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 121 11.413 -20.162 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.974 -16.937 -0.780 1.00 0.00 H new ATOM 0 HH TYR A 121 10.186 -19.046 -1.489 1.00 0.00 H new ATOM 674 N ASP A 122 14.300 -16.828 2.894 1.00 0.00 N ATOM 675 CA ASP A 122 15.417 -17.783 2.962 1.00 0.00 C ATOM 676 C ASP A 122 16.759 -17.145 3.399 1.00 0.00 C ATOM 677 O ASP A 122 17.672 -17.849 3.833 1.00 0.00 O ATOM 678 CB ASP A 122 15.553 -18.443 1.581 1.00 0.00 C ATOM 679 CG ASP A 122 16.592 -19.576 1.559 1.00 0.00 C ATOM 680 OD1 ASP A 122 16.349 -20.631 2.195 1.00 0.00 O ATOM 681 OD2 ASP A 122 17.634 -19.430 0.877 1.00 0.00 O ATOM 0 H ASP A 122 14.035 -16.598 1.936 1.00 0.00 H new ATOM 0 HA ASP A 122 15.189 -18.518 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 122 14.584 -18.839 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.833 -17.686 0.848 1.00 0.00 H new ATOM 686 N GLY A 123 16.885 -15.816 3.291 1.00 0.00 N ATOM 687 CA GLY A 123 18.079 -15.032 3.641 1.00 0.00 C ATOM 688 C GLY A 123 18.889 -14.539 2.432 1.00 0.00 C ATOM 689 O GLY A 123 19.716 -13.639 2.579 1.00 0.00 O ATOM 0 H GLY A 123 16.125 -15.232 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.772 -14.170 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.726 -15.640 4.273 1.00 0.00 H new ATOM 693 N VAL A 124 18.657 -15.107 1.242 1.00 0.00 N ATOM 694 CA VAL A 124 19.277 -14.700 -0.036 1.00 0.00 C ATOM 695 C VAL A 124 18.914 -13.258 -0.429 1.00 0.00 C ATOM 696 O VAL A 124 17.795 -12.806 -0.179 1.00 0.00 O ATOM 697 CB VAL A 124 18.903 -15.710 -1.146 1.00 0.00 C ATOM 698 CG1 VAL A 124 17.401 -15.755 -1.460 1.00 0.00 C ATOM 699 CG2 VAL A 124 19.669 -15.459 -2.452 1.00 0.00 C ATOM 0 H VAL A 124 18.012 -15.889 1.133 1.00 0.00 H new ATOM 0 HA VAL A 124 20.359 -14.711 0.095 1.00 0.00 H new ATOM 0 HB VAL A 124 19.194 -16.675 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.216 -16.485 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.850 -16.040 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.069 -14.771 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 124 19.369 -16.196 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 124 19.443 -14.458 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 124 20.740 -15.545 -2.268 1.00 0.00 H new ATOM 709 N ILE A 125 19.849 -12.551 -1.077 1.00 0.00 N ATOM 710 CA ILE A 125 19.720 -11.151 -1.516 1.00 0.00 C ATOM 711 C ILE A 125 20.033 -11.040 -3.018 1.00 0.00 C ATOM 712 O ILE A 125 21.055 -11.560 -3.477 1.00 0.00 O ATOM 713 CB ILE A 125 20.657 -10.212 -0.710 1.00 0.00 C ATOM 714 CG1 ILE A 125 20.684 -10.478 0.813 1.00 0.00 C ATOM 715 CG2 ILE A 125 20.239 -8.747 -0.935 1.00 0.00 C ATOM 716 CD1 ILE A 125 21.797 -11.440 1.252 1.00 0.00 C ATOM 0 H ILE A 125 20.754 -12.953 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 125 18.692 -10.837 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 125 21.660 -10.416 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 125 20.808 -9.530 1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 125 19.721 -10.887 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 125 20.898 -8.089 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 125 20.311 -8.507 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 125 19.211 -8.606 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 125 21.753 -11.578 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 125 21.663 -12.402 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 125 22.767 -11.024 0.978 1.00 0.00 H new ATOM 728 N ARG A 126 19.174 -10.349 -3.779 1.00 0.00 N ATOM 729 CA ARG A 126 19.319 -10.079 -5.229 1.00 0.00 C ATOM 730 C ARG A 126 18.799 -8.681 -5.595 1.00 0.00 C ATOM 731 O ARG A 126 18.129 -8.027 -4.794 1.00 0.00 O ATOM 732 CB ARG A 126 18.566 -11.156 -6.048 1.00 0.00 C ATOM 733 CG ARG A 126 19.128 -12.587 -5.956 1.00 0.00 C ATOM 734 CD ARG A 126 20.513 -12.772 -6.593 1.00 0.00 C ATOM 735 NE ARG A 126 20.478 -12.638 -8.065 1.00 0.00 N ATOM 736 CZ ARG A 126 20.098 -13.556 -8.940 1.00 0.00 C ATOM 737 NH1 ARG A 126 19.690 -14.741 -8.580 1.00 0.00 N ATOM 738 NH2 ARG A 126 20.122 -13.295 -10.214 1.00 0.00 N ATOM 0 H ARG A 126 18.322 -9.943 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 126 20.381 -10.116 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 126 17.527 -11.173 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 126 18.565 -10.854 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.184 -12.874 -4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 126 18.427 -13.270 -6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.201 -12.035 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 126 20.903 -13.755 -6.329 1.00 0.00 H new ATOM 0 HE ARG A 126 20.779 -11.742 -8.448 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.655 -14.990 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 126 19.406 -15.419 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 126 20.434 -12.381 -10.542 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.829 -14.004 -10.886 1.00 0.00 H new ATOM 752 N CYS A 127 19.085 -8.233 -6.819 1.00 0.00 N ATOM 753 CA CYS A 127 18.604 -6.957 -7.367 1.00 0.00 C ATOM 754 C CYS A 127 17.520 -7.170 -8.438 1.00 0.00 C ATOM 755 O CYS A 127 17.517 -8.187 -9.138 1.00 0.00 O ATOM 756 CB CYS A 127 19.787 -6.147 -7.917 1.00 0.00 C ATOM 757 SG CYS A 127 20.957 -5.749 -6.584 1.00 0.00 S ATOM 0 H CYS A 127 19.669 -8.755 -7.472 1.00 0.00 H new ATOM 0 HA CYS A 127 18.139 -6.390 -6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 127 20.294 -6.715 -8.697 1.00 0.00 H new ATOM 0 HB3 CYS A 127 19.424 -5.228 -8.377 1.00 0.00 H new ATOM 0 HG CYS A 127 21.951 -5.066 -7.069 1.00 0.00 H new ATOM 763 N LEU A 128 16.601 -6.207 -8.561 1.00 0.00 N ATOM 764 CA LEU A 128 15.385 -6.292 -9.382 1.00 0.00 C ATOM 765 C LEU A 128 14.965 -4.926 -9.954 1.00 0.00 C ATOM 766 O LEU A 128 15.303 -3.867 -9.413 1.00 0.00 O ATOM 767 CB LEU A 128 14.223 -6.818 -8.507 1.00 0.00 C ATOM 768 CG LEU A 128 14.247 -8.306 -8.116 1.00 0.00 C ATOM 769 CD1 LEU A 128 13.026 -8.606 -7.245 1.00 0.00 C ATOM 770 CD2 LEU A 128 14.195 -9.242 -9.327 1.00 0.00 C ATOM 0 H LEU A 128 16.685 -5.314 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 128 15.603 -6.961 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 128 14.199 -6.229 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 128 13.289 -6.624 -9.035 1.00 0.00 H new ATOM 0 HG LEU A 128 15.185 -8.483 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 128 13.031 -9.658 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 128 13.058 -7.988 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.117 -8.386 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 128 14.215 -10.278 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 128 13.278 -9.061 -9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.055 -9.054 -9.969 1.00 0.00 H new ATOM 782 N LYS A 129 14.173 -4.959 -11.033 1.00 0.00 N ATOM 783 CA LYS A 129 13.459 -3.784 -11.560 1.00 0.00 C ATOM 784 C LYS A 129 12.240 -3.485 -10.676 1.00 0.00 C ATOM 785 O LYS A 129 11.703 -4.378 -10.016 1.00 0.00 O ATOM 786 CB LYS A 129 12.996 -4.042 -13.008 1.00 0.00 C ATOM 787 CG LYS A 129 14.157 -4.320 -13.975 1.00 0.00 C ATOM 788 CD LYS A 129 13.632 -4.512 -15.407 1.00 0.00 C ATOM 789 CE LYS A 129 14.746 -4.885 -16.396 1.00 0.00 C ATOM 790 NZ LYS A 129 15.688 -3.761 -16.640 1.00 0.00 N ATOM 0 H LYS A 129 14.007 -5.809 -11.572 1.00 0.00 H new ATOM 0 HA LYS A 129 14.135 -2.929 -11.554 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.312 -4.891 -13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.436 -3.177 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.865 -3.492 -13.949 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.697 -5.212 -13.657 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.871 -5.293 -15.410 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.148 -3.594 -15.739 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.299 -5.741 -16.010 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.300 -5.193 -17.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.421 -4.062 -17.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.168 -2.951 -17.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.135 -3.482 -15.744 1.00 0.00 H new ATOM 804 N ARG A 130 11.721 -2.255 -10.736 1.00 0.00 N ATOM 805 CA ARG A 130 10.446 -1.868 -10.114 1.00 0.00 C ATOM 806 C ARG A 130 9.271 -2.734 -10.595 1.00 0.00 C ATOM 807 O ARG A 130 8.397 -3.076 -9.804 1.00 0.00 O ATOM 808 CB ARG A 130 10.241 -0.377 -10.424 1.00 0.00 C ATOM 809 CG ARG A 130 8.883 0.173 -9.994 1.00 0.00 C ATOM 810 CD ARG A 130 8.659 0.145 -8.477 1.00 0.00 C ATOM 811 NE ARG A 130 7.376 0.782 -8.120 1.00 0.00 N ATOM 812 CZ ARG A 130 7.156 2.065 -7.889 1.00 0.00 C ATOM 813 NH1 ARG A 130 8.103 2.960 -7.937 1.00 0.00 N ATOM 814 NH2 ARG A 130 5.957 2.483 -7.604 1.00 0.00 N ATOM 0 H ARG A 130 12.180 -1.487 -11.225 1.00 0.00 H new ATOM 0 HA ARG A 130 10.481 -2.033 -9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 130 11.025 0.196 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 130 10.360 -0.221 -11.496 1.00 0.00 H new ATOM 0 HG2 ARG A 130 8.788 1.200 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.097 -0.405 -10.479 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.668 -0.886 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 130 9.477 0.661 -7.975 1.00 0.00 H new ATOM 0 HE ARG A 130 6.569 0.163 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.058 2.680 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 130 7.889 3.940 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 130 5.183 1.820 -7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 130 5.791 3.474 -7.426 1.00 0.00 H new ATOM 828 N MET A 131 9.288 -3.147 -11.866 1.00 0.00 N ATOM 829 CA MET A 131 8.301 -4.048 -12.493 1.00 0.00 C ATOM 830 C MET A 131 8.270 -5.479 -11.910 1.00 0.00 C ATOM 831 O MET A 131 7.450 -6.297 -12.331 1.00 0.00 O ATOM 832 CB MET A 131 8.550 -4.091 -14.012 1.00 0.00 C ATOM 833 CG MET A 131 8.295 -2.732 -14.675 1.00 0.00 C ATOM 834 SD MET A 131 8.500 -2.740 -16.476 1.00 0.00 S ATOM 835 CE MET A 131 8.008 -1.031 -16.837 1.00 0.00 C ATOM 0 H MET A 131 10.017 -2.854 -12.517 1.00 0.00 H new ATOM 0 HA MET A 131 7.319 -3.632 -12.269 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.578 -4.400 -14.202 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.903 -4.842 -14.464 1.00 0.00 H new ATOM 0 HG2 MET A 131 7.282 -2.407 -14.436 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.975 -1.996 -14.245 1.00 0.00 H new ATOM 0 HE1 MET A 131 8.073 -0.853 -17.910 1.00 0.00 H new ATOM 0 HE2 MET A 131 6.983 -0.869 -16.504 1.00 0.00 H new ATOM 0 HE3 MET A 131 8.672 -0.343 -16.314 1.00 0.00 H new ATOM 845 N HIS A 132 9.129 -5.787 -10.931 1.00 0.00 N ATOM 846 CA HIS A 132 9.248 -7.101 -10.271 1.00 0.00 C ATOM 847 C HIS A 132 8.997 -7.042 -8.752 1.00 0.00 C ATOM 848 O HIS A 132 9.180 -8.045 -8.059 1.00 0.00 O ATOM 849 CB HIS A 132 10.631 -7.704 -10.577 1.00 0.00 C ATOM 850 CG HIS A 132 10.973 -7.856 -12.040 1.00 0.00 C ATOM 851 ND1 HIS A 132 12.238 -7.639 -12.596 1.00 0.00 N ATOM 852 CD2 HIS A 132 10.123 -8.263 -13.029 1.00 0.00 C ATOM 853 CE1 HIS A 132 12.117 -7.912 -13.907 1.00 0.00 C ATOM 854 NE2 HIS A 132 10.857 -8.284 -14.195 1.00 0.00 N ATOM 0 H HIS A 132 9.788 -5.103 -10.559 1.00 0.00 H new ATOM 0 HA HIS A 132 8.466 -7.743 -10.677 1.00 0.00 H new ATOM 0 HB2 HIS A 132 11.391 -7.078 -10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 132 10.691 -8.685 -10.105 1.00 0.00 H new ATOM 0 HD2 HIS A 132 9.079 -8.518 -12.919 1.00 0.00 H new ATOM 0 HE1 HIS A 132 12.919 -7.842 -14.627 1.00 0.00 H new ATOM 0 HE2 HIS A 132 10.505 -8.538 -15.118 1.00 0.00 H new ATOM 862 N ILE A 133 8.558 -5.889 -8.232 1.00 0.00 N ATOM 863 CA ILE A 133 8.289 -5.629 -6.808 1.00 0.00 C ATOM 864 C ILE A 133 6.894 -4.999 -6.674 1.00 0.00 C ATOM 865 O ILE A 133 6.502 -4.150 -7.480 1.00 0.00 O ATOM 866 CB ILE A 133 9.382 -4.715 -6.193 1.00 0.00 C ATOM 867 CG1 ILE A 133 10.798 -5.306 -6.411 1.00 0.00 C ATOM 868 CG2 ILE A 133 9.116 -4.488 -4.689 1.00 0.00 C ATOM 869 CD1 ILE A 133 11.940 -4.442 -5.867 1.00 0.00 C ATOM 0 H ILE A 133 8.372 -5.074 -8.817 1.00 0.00 H new ATOM 0 HA ILE A 133 8.313 -6.568 -6.256 1.00 0.00 H new ATOM 0 HB ILE A 133 9.339 -3.753 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.845 -6.287 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 133 10.953 -5.459 -7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.893 -3.845 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 133 8.144 -4.013 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 133 9.124 -5.446 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 133 12.893 -4.933 -6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 133 11.925 -3.469 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 133 11.815 -4.309 -4.792 1.00 0.00 H new ATOM 881 N LYS A 134 6.139 -5.411 -5.650 1.00 0.00 N ATOM 882 CA LYS A 134 4.758 -4.982 -5.381 1.00 0.00 C ATOM 883 C LYS A 134 4.563 -4.694 -3.894 1.00 0.00 C ATOM 884 O LYS A 134 5.130 -5.370 -3.032 1.00 0.00 O ATOM 885 CB LYS A 134 3.765 -6.078 -5.814 1.00 0.00 C ATOM 886 CG LYS A 134 3.821 -6.447 -7.308 1.00 0.00 C ATOM 887 CD LYS A 134 2.989 -7.685 -7.685 1.00 0.00 C ATOM 888 CE LYS A 134 1.476 -7.555 -7.452 1.00 0.00 C ATOM 889 NZ LYS A 134 1.059 -7.985 -6.090 1.00 0.00 N ATOM 0 H LYS A 134 6.484 -6.077 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 134 4.572 -4.072 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.956 -6.975 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.754 -5.748 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.472 -5.597 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.860 -6.622 -7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.160 -7.910 -8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.356 -8.537 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 134 1.178 -6.518 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 134 0.947 -8.153 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 0.073 -8.313 -6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 1.673 -8.760 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 1.139 -7.183 -5.433 1.00 0.00 H new ATOM 903 N ALA A 135 3.705 -3.726 -3.591 1.00 0.00 N ATOM 904 CA ALA A 135 3.241 -3.480 -2.228 1.00 0.00 C ATOM 905 C ALA A 135 2.423 -4.686 -1.728 1.00 0.00 C ATOM 906 O ALA A 135 1.572 -5.213 -2.454 1.00 0.00 O ATOM 907 CB ALA A 135 2.421 -2.184 -2.214 1.00 0.00 C ATOM 0 H ALA A 135 3.311 -3.089 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 135 4.086 -3.360 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.068 -1.988 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.045 -1.355 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.566 -2.287 -2.883 1.00 0.00 H new ATOM 913 N MET A 136 2.670 -5.131 -0.493 1.00 0.00 N ATOM 914 CA MET A 136 1.868 -6.182 0.143 1.00 0.00 C ATOM 915 C MET A 136 0.428 -5.670 0.381 1.00 0.00 C ATOM 916 O MET A 136 0.269 -4.576 0.934 1.00 0.00 O ATOM 917 CB MET A 136 2.553 -6.625 1.445 1.00 0.00 C ATOM 918 CG MET A 136 1.885 -7.868 2.042 1.00 0.00 C ATOM 919 SD MET A 136 2.723 -8.561 3.494 1.00 0.00 S ATOM 920 CE MET A 136 4.185 -9.298 2.707 1.00 0.00 C ATOM 0 H MET A 136 3.427 -4.776 0.092 1.00 0.00 H new ATOM 0 HA MET A 136 1.797 -7.053 -0.508 1.00 0.00 H new ATOM 0 HB2 MET A 136 3.605 -6.835 1.250 1.00 0.00 H new ATOM 0 HB3 MET A 136 2.520 -5.811 2.169 1.00 0.00 H new ATOM 0 HG2 MET A 136 0.861 -7.616 2.317 1.00 0.00 H new ATOM 0 HG3 MET A 136 1.828 -8.637 1.272 1.00 0.00 H new ATOM 0 HE1 MET A 136 4.725 -9.902 3.436 1.00 0.00 H new ATOM 0 HE2 MET A 136 3.871 -9.928 1.874 1.00 0.00 H new ATOM 0 HE3 MET A 136 4.837 -8.507 2.338 1.00 0.00 H new