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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0.744 K(o=0.74,f=0) 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+ 178:sc= 0 (180deg=-0.00516) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.186 K(o=0.19,f=-3.5!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -175:sc= 0 (180deg=-0.0195) USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 87 7.676 3.090 -0.904 1.00 0.00 N ATOM 101 CA PHE A 87 8.739 2.201 -0.413 1.00 0.00 C ATOM 102 C PHE A 87 9.883 2.966 0.279 1.00 0.00 C ATOM 103 O PHE A 87 10.232 4.087 -0.104 1.00 0.00 O ATOM 104 CB PHE A 87 9.315 1.392 -1.590 1.00 0.00 C ATOM 105 CG PHE A 87 8.425 0.350 -2.260 1.00 0.00 C ATOM 106 CD1 PHE A 87 7.211 -0.096 -1.690 1.00 0.00 C ATOM 107 CD2 PHE A 87 8.858 -0.213 -3.478 1.00 0.00 C ATOM 108 CE1 PHE A 87 6.441 -1.077 -2.340 1.00 0.00 C ATOM 109 CE2 PHE A 87 8.088 -1.197 -4.124 1.00 0.00 C ATOM 110 CZ PHE A 87 6.879 -1.630 -3.555 1.00 0.00 C ATOM 0 HA PHE A 87 8.289 1.542 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 87 9.631 2.100 -2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.212 0.884 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.873 0.318 -0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.788 0.114 -3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.510 -1.406 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.427 -1.620 -5.058 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.288 -2.386 -4.050 1.00 0.00 H new ATOM 120 N LYS A 88 10.524 2.306 1.255 1.00 0.00 N ATOM 121 CA LYS A 88 11.711 2.775 1.992 1.00 0.00 C ATOM 122 C LYS A 88 12.668 1.620 2.308 1.00 0.00 C ATOM 123 O LYS A 88 12.285 0.449 2.243 1.00 0.00 O ATOM 124 CB LYS A 88 11.265 3.498 3.280 1.00 0.00 C ATOM 125 CG LYS A 88 10.459 2.591 4.231 1.00 0.00 C ATOM 126 CD LYS A 88 10.030 3.296 5.518 1.00 0.00 C ATOM 127 CE LYS A 88 11.221 3.591 6.439 1.00 0.00 C ATOM 128 NZ LYS A 88 10.778 4.190 7.725 1.00 0.00 N ATOM 0 H LYS A 88 10.215 1.386 1.568 1.00 0.00 H new ATOM 0 HA LYS A 88 12.258 3.477 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.145 3.873 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.660 4.364 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.573 2.227 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.060 1.718 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.525 4.229 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.308 2.675 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.768 2.669 6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.911 4.270 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.607 4.377 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.277 5.082 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.139 3.530 8.213 1.00 0.00 H new ATOM 142 N ALA A 89 13.902 1.942 2.693 1.00 0.00 N ATOM 143 CA ALA A 89 14.852 0.960 3.216 1.00 0.00 C ATOM 144 C ALA A 89 14.280 0.262 4.469 1.00 0.00 C ATOM 145 O ALA A 89 13.783 0.920 5.389 1.00 0.00 O ATOM 146 CB ALA A 89 16.184 1.663 3.502 1.00 0.00 C ATOM 0 H ALA A 89 14.272 2.892 2.651 1.00 0.00 H new ATOM 0 HA ALA A 89 15.026 0.178 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.900 0.940 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.572 2.097 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.028 2.453 4.237 1.00 0.00 H new ATOM 152 N GLY A 90 14.322 -1.070 4.489 1.00 0.00 N ATOM 153 CA GLY A 90 13.767 -1.911 5.554 1.00 0.00 C ATOM 154 C GLY A 90 12.271 -2.235 5.417 1.00 0.00 C ATOM 155 O GLY A 90 11.744 -2.972 6.253 1.00 0.00 O ATOM 0 H GLY A 90 14.756 -1.612 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.324 -2.847 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.929 -1.413 6.510 1.00 0.00 H new ATOM 159 N GLU A 91 11.568 -1.713 4.404 1.00 0.00 N ATOM 160 CA GLU A 91 10.152 -2.030 4.164 1.00 0.00 C ATOM 161 C GLU A 91 9.949 -3.488 3.716 1.00 0.00 C ATOM 162 O GLU A 91 10.765 -4.048 2.982 1.00 0.00 O ATOM 163 CB GLU A 91 9.567 -1.059 3.122 1.00 0.00 C ATOM 164 CG GLU A 91 8.050 -1.172 2.906 1.00 0.00 C ATOM 165 CD GLU A 91 7.257 -0.941 4.207 1.00 0.00 C ATOM 166 OE1 GLU A 91 7.119 -1.894 5.014 1.00 0.00 O ATOM 167 OE2 GLU A 91 6.790 0.200 4.433 1.00 0.00 O ATOM 0 H GLU A 91 11.963 -1.060 3.728 1.00 0.00 H new ATOM 0 HA GLU A 91 9.622 -1.911 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.800 -0.039 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.068 -1.228 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.736 -0.444 2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.814 -2.159 2.509 1.00 0.00 H new ATOM 174 N GLU A 92 8.831 -4.093 4.118 1.00 0.00 N ATOM 175 CA GLU A 92 8.416 -5.441 3.724 1.00 0.00 C ATOM 176 C GLU A 92 7.449 -5.383 2.524 1.00 0.00 C ATOM 177 O GLU A 92 6.476 -4.621 2.514 1.00 0.00 O ATOM 178 CB GLU A 92 7.795 -6.126 4.944 1.00 0.00 C ATOM 179 CG GLU A 92 7.366 -7.572 4.674 1.00 0.00 C ATOM 180 CD GLU A 92 6.929 -8.271 5.973 1.00 0.00 C ATOM 181 OE1 GLU A 92 6.039 -7.742 6.680 1.00 0.00 O ATOM 182 OE2 GLU A 92 7.483 -9.350 6.300 1.00 0.00 O ATOM 0 H GLU A 92 8.167 -3.644 4.748 1.00 0.00 H new ATOM 0 HA GLU A 92 9.274 -6.026 3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.514 -6.115 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.928 -5.552 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.545 -7.583 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.192 -8.121 4.222 1.00 0.00 H new ATOM 189 N VAL A 93 7.725 -6.195 1.503 1.00 0.00 N ATOM 190 CA VAL A 93 7.098 -6.159 0.170 1.00 0.00 C ATOM 191 C VAL A 93 6.934 -7.569 -0.418 1.00 0.00 C ATOM 192 O VAL A 93 7.358 -8.562 0.178 1.00 0.00 O ATOM 193 CB VAL A 93 7.934 -5.279 -0.797 1.00 0.00 C ATOM 194 CG1 VAL A 93 7.927 -3.804 -0.382 1.00 0.00 C ATOM 195 CG2 VAL A 93 9.391 -5.744 -0.947 1.00 0.00 C ATOM 0 H VAL A 93 8.425 -6.933 1.581 1.00 0.00 H new ATOM 0 HA VAL A 93 6.105 -5.725 0.287 1.00 0.00 H new ATOM 0 HB VAL A 93 7.443 -5.392 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.524 -3.225 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.903 -3.431 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.349 -3.705 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.915 -5.083 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.883 -5.717 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.410 -6.762 -1.335 1.00 0.00 H new ATOM 205 N LEU A 94 6.332 -7.663 -1.605 1.00 0.00 N ATOM 206 CA LEU A 94 6.304 -8.874 -2.425 1.00 0.00 C ATOM 207 C LEU A 94 7.218 -8.660 -3.637 1.00 0.00 C ATOM 208 O LEU A 94 7.211 -7.585 -4.240 1.00 0.00 O ATOM 209 CB LEU A 94 4.870 -9.182 -2.894 1.00 0.00 C ATOM 210 CG LEU A 94 3.830 -9.374 -1.779 1.00 0.00 C ATOM 211 CD1 LEU A 94 2.438 -9.482 -2.402 1.00 0.00 C ATOM 212 CD2 LEU A 94 4.100 -10.637 -0.960 1.00 0.00 C ATOM 0 H LEU A 94 5.838 -6.879 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 94 6.653 -9.721 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.537 -8.370 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.893 -10.085 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 94 3.894 -8.514 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.697 -9.618 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.216 -8.570 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.408 -10.335 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.342 -10.735 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.065 -11.509 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.086 -10.568 -0.499 1.00 0.00 H new ATOM 224 N ALA A 95 7.969 -9.685 -4.033 1.00 0.00 N ATOM 225 CA ALA A 95 8.896 -9.619 -5.161 1.00 0.00 C ATOM 226 C ALA A 95 8.868 -10.909 -6.000 1.00 0.00 C ATOM 227 O ALA A 95 8.833 -12.015 -5.452 1.00 0.00 O ATOM 228 CB ALA A 95 10.291 -9.329 -4.603 1.00 0.00 C ATOM 0 H ALA A 95 7.951 -10.596 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 95 8.598 -8.821 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.007 -9.274 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.279 -8.380 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.583 -10.127 -3.920 1.00 0.00 H new ATOM 234 N ARG A 96 8.879 -10.765 -7.330 1.00 0.00 N ATOM 235 CA ARG A 96 8.991 -11.869 -8.295 1.00 0.00 C ATOM 236 C ARG A 96 10.447 -12.339 -8.378 1.00 0.00 C ATOM 237 O ARG A 96 11.351 -11.523 -8.561 1.00 0.00 O ATOM 238 CB ARG A 96 8.469 -11.418 -9.672 1.00 0.00 C ATOM 239 CG ARG A 96 8.246 -12.610 -10.619 1.00 0.00 C ATOM 240 CD ARG A 96 7.986 -12.191 -12.073 1.00 0.00 C ATOM 241 NE ARG A 96 6.720 -11.444 -12.243 1.00 0.00 N ATOM 242 CZ ARG A 96 6.571 -10.188 -12.635 1.00 0.00 C ATOM 243 NH1 ARG A 96 7.572 -9.387 -12.848 1.00 0.00 N ATOM 244 NH2 ARG A 96 5.384 -9.690 -12.829 1.00 0.00 N ATOM 0 H ARG A 96 8.808 -9.852 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 96 8.381 -12.709 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.533 -10.875 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.181 -10.726 -10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.121 -13.259 -10.586 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.400 -13.196 -10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.815 -11.574 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.964 -13.080 -12.703 1.00 0.00 H new ATOM 0 HE ARG A 96 5.863 -11.956 -12.034 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.527 -9.718 -12.714 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.402 -8.427 -13.149 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.557 -10.269 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.280 -8.721 -13.131 1.00 0.00 H new ATOM 258 N TRP A 97 10.675 -13.644 -8.244 1.00 0.00 N ATOM 259 CA TRP A 97 12.016 -14.245 -8.302 1.00 0.00 C ATOM 260 C TRP A 97 12.371 -14.725 -9.724 1.00 0.00 C ATOM 261 O TRP A 97 11.780 -14.268 -10.707 1.00 0.00 O ATOM 262 CB TRP A 97 12.105 -15.347 -7.232 1.00 0.00 C ATOM 263 CG TRP A 97 13.483 -15.627 -6.703 1.00 0.00 C ATOM 264 CD1 TRP A 97 14.064 -16.846 -6.628 1.00 0.00 C ATOM 265 CD2 TRP A 97 14.443 -14.694 -6.101 1.00 0.00 C ATOM 266 NE1 TRP A 97 15.313 -16.734 -6.044 1.00 0.00 N ATOM 267 CE2 TRP A 97 15.582 -15.437 -5.662 1.00 0.00 C ATOM 268 CE3 TRP A 97 14.463 -13.301 -5.859 1.00 0.00 C ATOM 269 CZ2 TRP A 97 16.658 -14.838 -4.988 1.00 0.00 C ATOM 270 CZ3 TRP A 97 15.521 -12.696 -5.154 1.00 0.00 C ATOM 271 CH2 TRP A 97 16.608 -13.464 -4.702 1.00 0.00 C ATOM 0 H TRP A 97 9.931 -14.324 -8.091 1.00 0.00 H new ATOM 0 HA TRP A 97 12.773 -13.494 -8.075 1.00 0.00 H new ATOM 0 HB2 TRP A 97 11.463 -15.069 -6.396 1.00 0.00 H new ATOM 0 HB3 TRP A 97 11.702 -16.269 -7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.620 -17.768 -6.972 1.00 0.00 H new ATOM 0 HE1 TRP A 97 15.956 -17.515 -5.912 1.00 0.00 H new ATOM 0 HE3 TRP A 97 13.651 -12.689 -6.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 17.514 -15.427 -4.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 15.497 -11.634 -4.959 1.00 0.00 H new ATOM 0 HH2 TRP A 97 17.402 -12.999 -4.137 1.00 0.00 H new ATOM 282 N THR A 98 13.350 -15.628 -9.862 1.00 0.00 N ATOM 283 CA THR A 98 13.624 -16.322 -11.138 1.00 0.00 C ATOM 284 C THR A 98 12.428 -17.179 -11.605 1.00 0.00 C ATOM 285 O THR A 98 12.203 -17.345 -12.806 1.00 0.00 O ATOM 286 CB THR A 98 14.924 -17.145 -11.045 1.00 0.00 C ATOM 287 OG1 THR A 98 15.342 -17.583 -12.321 1.00 0.00 O ATOM 288 CG2 THR A 98 14.829 -18.385 -10.152 1.00 0.00 C ATOM 0 H THR A 98 13.973 -15.900 -9.102 1.00 0.00 H new ATOM 0 HA THR A 98 13.768 -15.559 -11.903 1.00 0.00 H new ATOM 0 HB THR A 98 15.640 -16.456 -10.598 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.169 -18.101 -12.234 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.788 -18.903 -10.145 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.572 -18.083 -9.137 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.059 -19.053 -10.538 1.00 0.00 H new ATOM 296 N ASP A 99 11.614 -17.675 -10.664 1.00 0.00 N ATOM 297 CA ASP A 99 10.320 -18.321 -10.923 1.00 0.00 C ATOM 298 C ASP A 99 9.212 -17.297 -11.244 1.00 0.00 C ATOM 299 O ASP A 99 9.248 -16.148 -10.797 1.00 0.00 O ATOM 300 CB ASP A 99 9.909 -19.145 -9.693 1.00 0.00 C ATOM 301 CG ASP A 99 10.860 -20.325 -9.443 1.00 0.00 C ATOM 302 OD1 ASP A 99 10.808 -21.315 -10.214 1.00 0.00 O ATOM 303 OD2 ASP A 99 11.646 -20.275 -8.467 1.00 0.00 O ATOM 0 H ASP A 99 11.845 -17.637 -9.671 1.00 0.00 H new ATOM 0 HA ASP A 99 10.439 -18.964 -11.795 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.893 -18.500 -8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.895 -19.520 -9.831 1.00 0.00 H new ATOM 308 N CYS A 100 8.174 -17.732 -11.966 1.00 0.00 N ATOM 309 CA CYS A 100 7.020 -16.923 -12.393 1.00 0.00 C ATOM 310 C CYS A 100 6.015 -16.594 -11.255 1.00 0.00 C ATOM 311 O CYS A 100 4.801 -16.560 -11.479 1.00 0.00 O ATOM 312 CB CYS A 100 6.339 -17.648 -13.569 1.00 0.00 C ATOM 313 SG CYS A 100 7.501 -17.859 -14.954 1.00 0.00 S ATOM 0 H CYS A 100 8.109 -18.699 -12.284 1.00 0.00 H new ATOM 0 HA CYS A 100 7.389 -15.946 -12.706 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.976 -18.622 -13.241 1.00 0.00 H new ATOM 0 HB3 CYS A 100 5.470 -17.079 -13.900 1.00 0.00 H new ATOM 0 HG CYS A 100 6.904 -18.474 -15.931 1.00 0.00 H new ATOM 319 N ARG A 101 6.500 -16.389 -10.022 1.00 0.00 N ATOM 320 CA ARG A 101 5.714 -16.214 -8.786 1.00 0.00 C ATOM 321 C ARG A 101 6.295 -15.105 -7.904 1.00 0.00 C ATOM 322 O ARG A 101 7.515 -14.941 -7.832 1.00 0.00 O ATOM 323 CB ARG A 101 5.707 -17.535 -7.987 1.00 0.00 C ATOM 324 CG ARG A 101 4.998 -18.722 -8.656 1.00 0.00 C ATOM 325 CD ARG A 101 3.487 -18.500 -8.805 1.00 0.00 C ATOM 326 NE ARG A 101 2.819 -19.709 -9.326 1.00 0.00 N ATOM 327 CZ ARG A 101 1.518 -19.934 -9.370 1.00 0.00 C ATOM 328 NH1 ARG A 101 0.645 -19.062 -8.949 1.00 0.00 N ATOM 329 NH2 ARG A 101 1.061 -21.059 -9.842 1.00 0.00 N ATOM 0 H ARG A 101 7.504 -16.338 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 101 4.700 -15.935 -9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.740 -17.820 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.233 -17.351 -7.023 1.00 0.00 H new ATOM 0 HG2 ARG A 101 5.435 -18.894 -9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.173 -19.623 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.059 -18.233 -7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.304 -17.662 -9.478 1.00 0.00 H new ATOM 0 HE ARG A 101 3.424 -20.446 -9.689 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.959 -18.169 -8.569 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.352 -19.273 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.709 -21.771 -10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.056 -21.228 -9.874 1.00 0.00 H new ATOM 343 N TYR A 102 5.418 -14.376 -7.213 1.00 0.00 N ATOM 344 CA TYR A 102 5.779 -13.419 -6.160 1.00 0.00 C ATOM 345 C TYR A 102 5.934 -14.115 -4.797 1.00 0.00 C ATOM 346 O TYR A 102 5.226 -15.080 -4.491 1.00 0.00 O ATOM 347 CB TYR A 102 4.722 -12.304 -6.073 1.00 0.00 C ATOM 348 CG TYR A 102 4.898 -11.211 -7.110 1.00 0.00 C ATOM 349 CD1 TYR A 102 4.399 -11.367 -8.418 1.00 0.00 C ATOM 350 CD2 TYR A 102 5.577 -10.028 -6.759 1.00 0.00 C ATOM 351 CE1 TYR A 102 4.588 -10.348 -9.372 1.00 0.00 C ATOM 352 CE2 TYR A 102 5.784 -9.016 -7.711 1.00 0.00 C ATOM 353 CZ TYR A 102 5.293 -9.173 -9.023 1.00 0.00 C ATOM 354 OH TYR A 102 5.505 -8.192 -9.940 1.00 0.00 O ATOM 0 H TYR A 102 4.412 -14.434 -7.372 1.00 0.00 H new ATOM 0 HA TYR A 102 6.742 -12.980 -6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.732 -12.745 -6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 102 4.759 -11.858 -5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.871 -12.269 -8.690 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.941 -9.898 -5.751 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.194 -10.464 -10.371 1.00 0.00 H new ATOM 0 HE2 TYR A 102 6.319 -8.118 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 102 6.005 -7.459 -9.525 1.00 0.00 H new ATOM 364 N TYR A 103 6.829 -13.583 -3.962 1.00 0.00 N ATOM 365 CA TYR A 103 7.181 -14.097 -2.633 1.00 0.00 C ATOM 366 C TYR A 103 7.431 -12.945 -1.638 1.00 0.00 C ATOM 367 O TYR A 103 7.805 -11.849 -2.071 1.00 0.00 O ATOM 368 CB TYR A 103 8.469 -14.920 -2.757 1.00 0.00 C ATOM 369 CG TYR A 103 8.365 -16.182 -3.593 1.00 0.00 C ATOM 370 CD1 TYR A 103 7.884 -17.372 -3.014 1.00 0.00 C ATOM 371 CD2 TYR A 103 8.769 -16.170 -4.943 1.00 0.00 C ATOM 372 CE1 TYR A 103 7.814 -18.551 -3.782 1.00 0.00 C ATOM 373 CE2 TYR A 103 8.708 -17.347 -5.712 1.00 0.00 C ATOM 374 CZ TYR A 103 8.229 -18.543 -5.131 1.00 0.00 C ATOM 375 OH TYR A 103 8.167 -19.686 -5.864 1.00 0.00 O ATOM 0 H TYR A 103 7.354 -12.742 -4.204 1.00 0.00 H new ATOM 0 HA TYR A 103 6.355 -14.704 -2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.244 -14.285 -3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.800 -15.196 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.569 -17.381 -1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 103 9.127 -15.254 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 103 7.442 -19.462 -3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 103 9.027 -17.336 -6.744 1.00 0.00 H new ATOM 0 HH TYR A 103 8.488 -19.510 -6.773 1.00 0.00 H new ATOM 385 N PRO A 104 7.274 -13.165 -0.317 1.00 0.00 N ATOM 386 CA PRO A 104 7.563 -12.153 0.700 1.00 0.00 C ATOM 387 C PRO A 104 9.067 -11.841 0.782 1.00 0.00 C ATOM 388 O PRO A 104 9.912 -12.743 0.818 1.00 0.00 O ATOM 389 CB PRO A 104 7.017 -12.723 2.012 1.00 0.00 C ATOM 390 CG PRO A 104 7.081 -14.236 1.805 1.00 0.00 C ATOM 391 CD PRO A 104 6.802 -14.394 0.311 1.00 0.00 C ATOM 0 HA PRO A 104 7.093 -11.199 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.618 -12.410 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.997 -12.388 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.056 -14.639 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.340 -14.757 2.411 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.321 -15.263 -0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.738 -14.543 0.126 1.00 0.00 H new ATOM 399 N ALA A 105 9.394 -10.551 0.837 1.00 0.00 N ATOM 400 CA ALA A 105 10.757 -10.028 0.863 1.00 0.00 C ATOM 401 C ALA A 105 10.849 -8.695 1.639 1.00 0.00 C ATOM 402 O ALA A 105 9.833 -8.100 2.011 1.00 0.00 O ATOM 403 CB ALA A 105 11.223 -9.865 -0.592 1.00 0.00 C ATOM 0 H ALA A 105 8.689 -9.814 0.866 1.00 0.00 H new ATOM 0 HA ALA A 105 11.408 -10.725 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.241 -9.475 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.198 -10.833 -1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.561 -9.171 -1.111 1.00 0.00 H new ATOM 409 N LYS A 106 12.072 -8.204 1.859 1.00 0.00 N ATOM 410 CA LYS A 106 12.377 -6.958 2.584 1.00 0.00 C ATOM 411 C LYS A 106 13.411 -6.138 1.807 1.00 0.00 C ATOM 412 O LYS A 106 14.426 -6.689 1.380 1.00 0.00 O ATOM 413 CB LYS A 106 12.881 -7.335 3.987 1.00 0.00 C ATOM 414 CG LYS A 106 13.133 -6.117 4.888 1.00 0.00 C ATOM 415 CD LYS A 106 13.626 -6.575 6.267 1.00 0.00 C ATOM 416 CE LYS A 106 13.897 -5.368 7.171 1.00 0.00 C ATOM 417 NZ LYS A 106 14.376 -5.790 8.512 1.00 0.00 N ATOM 0 H LYS A 106 12.911 -8.678 1.526 1.00 0.00 H new ATOM 0 HA LYS A 106 11.487 -6.337 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.150 -7.987 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.805 -7.906 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.872 -5.461 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.216 -5.538 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.881 -7.222 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 106 14.536 -7.165 6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 106 14.641 -4.722 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.986 -4.780 7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.550 -4.949 9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.655 -6.386 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.259 -6.330 8.411 1.00 0.00 H new ATOM 431 N ILE A 107 13.156 -4.846 1.600 1.00 0.00 N ATOM 432 CA ILE A 107 14.038 -3.943 0.843 1.00 0.00 C ATOM 433 C ILE A 107 15.329 -3.669 1.627 1.00 0.00 C ATOM 434 O ILE A 107 15.302 -3.086 2.711 1.00 0.00 O ATOM 435 CB ILE A 107 13.314 -2.631 0.453 1.00 0.00 C ATOM 436 CG1 ILE A 107 12.044 -2.942 -0.379 1.00 0.00 C ATOM 437 CG2 ILE A 107 14.267 -1.716 -0.339 1.00 0.00 C ATOM 438 CD1 ILE A 107 11.267 -1.710 -0.857 1.00 0.00 C ATOM 0 H ILE A 107 12.319 -4.385 1.957 1.00 0.00 H new ATOM 0 HA ILE A 107 14.310 -4.440 -0.088 1.00 0.00 H new ATOM 0 HB ILE A 107 13.010 -2.114 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 107 12.333 -3.531 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.378 -3.563 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 107 13.748 -0.796 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 107 15.135 -1.476 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.593 -2.227 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 107 10.396 -2.029 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 107 10.941 -1.128 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.911 -1.096 -1.487 1.00 0.00 H new ATOM 450 N GLU A 108 16.467 -4.055 1.056 1.00 0.00 N ATOM 451 CA GLU A 108 17.810 -3.806 1.595 1.00 0.00 C ATOM 452 C GLU A 108 18.422 -2.495 1.068 1.00 0.00 C ATOM 453 O GLU A 108 19.172 -1.839 1.794 1.00 0.00 O ATOM 454 CB GLU A 108 18.731 -4.980 1.219 1.00 0.00 C ATOM 455 CG GLU A 108 18.362 -6.305 1.904 1.00 0.00 C ATOM 456 CD GLU A 108 18.588 -6.242 3.427 1.00 0.00 C ATOM 457 OE1 GLU A 108 19.757 -6.361 3.870 1.00 0.00 O ATOM 458 OE2 GLU A 108 17.609 -6.060 4.188 1.00 0.00 O ATOM 0 H GLU A 108 16.485 -4.568 0.175 1.00 0.00 H new ATOM 0 HA GLU A 108 17.718 -3.714 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.702 -5.120 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.757 -4.721 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.318 -6.541 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.960 -7.112 1.481 1.00 0.00 H new ATOM 465 N ALA A 109 18.096 -2.095 -0.169 1.00 0.00 N ATOM 466 CA ALA A 109 18.543 -0.841 -0.787 1.00 0.00 C ATOM 467 C ALA A 109 17.618 -0.385 -1.934 1.00 0.00 C ATOM 468 O ALA A 109 16.884 -1.185 -2.521 1.00 0.00 O ATOM 469 CB ALA A 109 19.982 -1.016 -1.302 1.00 0.00 C ATOM 0 H ALA A 109 17.499 -2.650 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 109 18.507 -0.062 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 109 20.319 -0.087 -1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.638 -1.267 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 109 20.009 -1.817 -2.040 1.00 0.00 H new ATOM 475 N ILE A 110 17.698 0.903 -2.282 1.00 0.00 N ATOM 476 CA ILE A 110 16.880 1.576 -3.305 1.00 0.00 C ATOM 477 C ILE A 110 17.800 2.421 -4.202 1.00 0.00 C ATOM 478 O ILE A 110 18.650 3.161 -3.699 1.00 0.00 O ATOM 479 CB ILE A 110 15.788 2.447 -2.626 1.00 0.00 C ATOM 480 CG1 ILE A 110 14.858 1.572 -1.742 1.00 0.00 C ATOM 481 CG2 ILE A 110 15.001 3.244 -3.686 1.00 0.00 C ATOM 482 CD1 ILE A 110 13.634 2.279 -1.146 1.00 0.00 C ATOM 0 H ILE A 110 18.364 1.537 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 110 16.371 0.838 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 110 16.270 3.168 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.510 0.729 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 110 15.449 1.161 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 110 14.239 3.849 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 110 15.684 3.894 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.523 2.553 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.060 1.571 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 110 13.962 3.104 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.009 2.665 -1.951 1.00 0.00 H new ATOM 566 N PHE A 116 16.022 -2.115 -7.268 1.00 0.00 N ATOM 567 CA PHE A 116 15.873 -2.221 -5.816 1.00 0.00 C ATOM 568 C PHE A 116 16.489 -3.549 -5.360 1.00 0.00 C ATOM 569 O PHE A 116 16.314 -4.569 -6.029 1.00 0.00 O ATOM 570 CB PHE A 116 14.382 -2.182 -5.440 1.00 0.00 C ATOM 571 CG PHE A 116 13.578 -1.033 -6.026 1.00 0.00 C ATOM 572 CD1 PHE A 116 13.102 -1.096 -7.352 1.00 0.00 C ATOM 573 CD2 PHE A 116 13.300 0.104 -5.246 1.00 0.00 C ATOM 574 CE1 PHE A 116 12.392 -0.014 -7.899 1.00 0.00 C ATOM 575 CE2 PHE A 116 12.577 1.179 -5.790 1.00 0.00 C ATOM 576 CZ PHE A 116 12.126 1.124 -7.119 1.00 0.00 C ATOM 0 HA PHE A 116 16.378 -1.388 -5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 116 13.923 -3.119 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 116 14.302 -2.138 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 116 13.284 -1.978 -7.948 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.644 0.151 -4.223 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.050 -0.057 -8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 116 12.368 2.049 -5.185 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.577 1.953 -7.540 1.00 0.00 H new ATOM 586 N THR A 117 17.192 -3.554 -4.230 1.00 0.00 N ATOM 587 CA THR A 117 17.807 -4.764 -3.653 1.00 0.00 C ATOM 588 C THR A 117 16.903 -5.302 -2.551 1.00 0.00 C ATOM 589 O THR A 117 16.428 -4.534 -1.713 1.00 0.00 O ATOM 590 CB THR A 117 19.207 -4.469 -3.093 1.00 0.00 C ATOM 591 OG1 THR A 117 20.005 -3.858 -4.087 1.00 0.00 O ATOM 592 CG2 THR A 117 19.956 -5.732 -2.664 1.00 0.00 C ATOM 0 H THR A 117 17.357 -2.713 -3.677 1.00 0.00 H new ATOM 0 HA THR A 117 17.919 -5.509 -4.440 1.00 0.00 H new ATOM 0 HB THR A 117 19.050 -3.825 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 117 20.895 -3.671 -3.723 1.00 0.00 H new ATOM 0 HG21 THR A 117 20.938 -5.459 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.389 -6.245 -1.887 1.00 0.00 H new ATOM 0 HG23 THR A 117 20.075 -6.394 -3.522 1.00 0.00 H new ATOM 600 N VAL A 118 16.668 -6.614 -2.530 1.00 0.00 N ATOM 601 CA VAL A 118 15.723 -7.273 -1.616 1.00 0.00 C ATOM 602 C VAL A 118 16.299 -8.564 -1.031 1.00 0.00 C ATOM 603 O VAL A 118 16.947 -9.347 -1.728 1.00 0.00 O ATOM 604 CB VAL A 118 14.364 -7.564 -2.298 1.00 0.00 C ATOM 605 CG1 VAL A 118 13.593 -6.277 -2.611 1.00 0.00 C ATOM 606 CG2 VAL A 118 14.464 -8.384 -3.592 1.00 0.00 C ATOM 0 H VAL A 118 17.137 -7.266 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 118 15.553 -6.572 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 118 13.830 -8.164 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.646 -6.527 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.400 -5.734 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.184 -5.653 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.466 -8.541 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.074 -7.846 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.923 -9.349 -3.377 1.00 0.00 H new ATOM 616 N GLN A 119 16.025 -8.799 0.253 1.00 0.00 N ATOM 617 CA GLN A 119 16.289 -10.059 0.947 1.00 0.00 C ATOM 618 C GLN A 119 14.995 -10.877 1.031 1.00 0.00 C ATOM 619 O GLN A 119 13.960 -10.373 1.471 1.00 0.00 O ATOM 620 CB GLN A 119 16.867 -9.778 2.345 1.00 0.00 C ATOM 621 CG GLN A 119 17.175 -11.086 3.097 1.00 0.00 C ATOM 622 CD GLN A 119 18.035 -10.873 4.341 1.00 0.00 C ATOM 623 OE1 GLN A 119 17.763 -10.035 5.192 1.00 0.00 O ATOM 624 NE2 GLN A 119 19.098 -11.631 4.507 1.00 0.00 N ATOM 0 H GLN A 119 15.600 -8.095 0.857 1.00 0.00 H new ATOM 0 HA GLN A 119 17.026 -10.639 0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 119 17.778 -9.187 2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 119 16.158 -9.183 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 119 16.238 -11.561 3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 119 17.685 -11.774 2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 119 19.338 -12.333 3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 119 19.682 -11.516 5.335 1.00 0.00 H new ATOM 633 N PHE A 120 15.052 -12.139 0.609 1.00 0.00 N ATOM 634 CA PHE A 120 13.928 -13.080 0.662 1.00 0.00 C ATOM 635 C PHE A 120 13.810 -13.777 2.027 1.00 0.00 C ATOM 636 O PHE A 120 14.755 -13.802 2.819 1.00 0.00 O ATOM 637 CB PHE A 120 14.091 -14.107 -0.474 1.00 0.00 C ATOM 638 CG PHE A 120 13.326 -13.762 -1.738 1.00 0.00 C ATOM 639 CD1 PHE A 120 13.356 -12.457 -2.272 1.00 0.00 C ATOM 640 CD2 PHE A 120 12.565 -14.759 -2.381 1.00 0.00 C ATOM 641 CE1 PHE A 120 12.600 -12.144 -3.416 1.00 0.00 C ATOM 642 CE2 PHE A 120 11.836 -14.450 -3.539 1.00 0.00 C ATOM 643 CZ PHE A 120 11.832 -13.138 -4.044 1.00 0.00 C ATOM 0 H PHE A 120 15.898 -12.547 0.212 1.00 0.00 H new ATOM 0 HA PHE A 120 13.001 -12.522 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 120 15.150 -14.199 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.760 -15.082 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 120 13.961 -11.696 -1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.543 -15.762 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 120 12.610 -11.139 -3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 120 11.276 -15.223 -4.044 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.239 -12.895 -4.913 1.00 0.00 H new ATOM 653 N TYR A 121 12.656 -14.407 2.270 1.00 0.00 N ATOM 654 CA TYR A 121 12.375 -15.242 3.448 1.00 0.00 C ATOM 655 C TYR A 121 13.410 -16.364 3.693 1.00 0.00 C ATOM 656 O TYR A 121 13.657 -16.743 4.838 1.00 0.00 O ATOM 657 CB TYR A 121 10.959 -15.829 3.306 1.00 0.00 C ATOM 658 CG TYR A 121 10.794 -16.824 2.165 1.00 0.00 C ATOM 659 CD1 TYR A 121 10.494 -16.375 0.862 1.00 0.00 C ATOM 660 CD2 TYR A 121 10.972 -18.202 2.405 1.00 0.00 C ATOM 661 CE1 TYR A 121 10.392 -17.296 -0.199 1.00 0.00 C ATOM 662 CE2 TYR A 121 10.861 -19.126 1.347 1.00 0.00 C ATOM 663 CZ TYR A 121 10.571 -18.675 0.042 1.00 0.00 C ATOM 664 OH TYR A 121 10.463 -19.568 -0.979 1.00 0.00 O ATOM 0 H TYR A 121 11.863 -14.349 1.631 1.00 0.00 H new ATOM 0 HA TYR A 121 12.446 -14.598 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.689 -16.321 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.254 -15.010 3.161 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.342 -15.322 0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.194 -18.550 3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 121 10.177 -16.946 -1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.998 -20.181 1.535 1.00 0.00 H new ATOM 0 HH TYR A 121 10.616 -20.474 -0.639 1.00 0.00 H new ATOM 674 N ASP A 122 14.039 -16.879 2.629 1.00 0.00 N ATOM 675 CA ASP A 122 15.107 -17.889 2.680 1.00 0.00 C ATOM 676 C ASP A 122 16.462 -17.340 3.188 1.00 0.00 C ATOM 677 O ASP A 122 17.319 -18.108 3.634 1.00 0.00 O ATOM 678 CB ASP A 122 15.256 -18.477 1.267 1.00 0.00 C ATOM 679 CG ASP A 122 16.258 -19.642 1.210 1.00 0.00 C ATOM 680 OD1 ASP A 122 15.955 -20.729 1.760 1.00 0.00 O ATOM 681 OD2 ASP A 122 17.334 -19.484 0.585 1.00 0.00 O ATOM 0 H ASP A 122 13.812 -16.595 1.676 1.00 0.00 H new ATOM 0 HA ASP A 122 14.822 -18.652 3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 122 14.283 -18.823 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.579 -17.692 0.584 1.00 0.00 H new ATOM 686 N GLY A 123 16.663 -16.017 3.132 1.00 0.00 N ATOM 687 CA GLY A 123 17.876 -15.306 3.562 1.00 0.00 C ATOM 688 C GLY A 123 18.733 -14.764 2.408 1.00 0.00 C ATOM 689 O GLY A 123 19.515 -13.832 2.615 1.00 0.00 O ATOM 0 H GLY A 123 15.951 -15.383 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.587 -14.475 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.484 -15.980 4.165 1.00 0.00 H new ATOM 693 N VAL A 124 18.577 -15.315 1.197 1.00 0.00 N ATOM 694 CA VAL A 124 19.248 -14.870 -0.043 1.00 0.00 C ATOM 695 C VAL A 124 18.914 -13.412 -0.401 1.00 0.00 C ATOM 696 O VAL A 124 17.820 -12.925 -0.103 1.00 0.00 O ATOM 697 CB VAL A 124 18.918 -15.847 -1.195 1.00 0.00 C ATOM 698 CG1 VAL A 124 17.436 -15.850 -1.593 1.00 0.00 C ATOM 699 CG2 VAL A 124 19.766 -15.593 -2.449 1.00 0.00 C ATOM 0 H VAL A 124 17.959 -16.112 1.043 1.00 0.00 H new ATOM 0 HA VAL A 124 20.325 -14.888 0.126 1.00 0.00 H new ATOM 0 HB VAL A 124 19.164 -16.827 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.279 -16.558 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.830 -16.142 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.145 -14.852 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 124 19.492 -16.308 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 124 19.588 -14.580 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 124 20.822 -15.711 -2.204 1.00 0.00 H new ATOM 709 N ILE A 125 19.850 -12.719 -1.064 1.00 0.00 N ATOM 710 CA ILE A 125 19.751 -11.297 -1.438 1.00 0.00 C ATOM 711 C ILE A 125 20.148 -11.115 -2.910 1.00 0.00 C ATOM 712 O ILE A 125 21.245 -11.514 -3.312 1.00 0.00 O ATOM 713 CB ILE A 125 20.635 -10.403 -0.529 1.00 0.00 C ATOM 714 CG1 ILE A 125 20.419 -10.708 0.973 1.00 0.00 C ATOM 715 CG2 ILE A 125 20.355 -8.917 -0.830 1.00 0.00 C ATOM 716 CD1 ILE A 125 21.209 -9.815 1.937 1.00 0.00 C ATOM 0 H ILE A 125 20.726 -13.145 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 125 18.716 -10.985 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 125 21.679 -10.626 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 125 19.357 -10.610 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 125 20.690 -11.747 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 125 20.978 -8.292 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 125 20.585 -8.708 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 125 19.304 -8.699 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 125 20.991 -10.106 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 125 22.276 -9.929 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 125 20.922 -8.774 1.786 1.00 0.00 H new ATOM 728 N ARG A 126 19.274 -10.480 -3.700 1.00 0.00 N ATOM 729 CA ARG A 126 19.476 -10.068 -5.109 1.00 0.00 C ATOM 730 C ARG A 126 18.800 -8.711 -5.363 1.00 0.00 C ATOM 731 O ARG A 126 18.147 -8.164 -4.471 1.00 0.00 O ATOM 732 CB ARG A 126 18.909 -11.141 -6.072 1.00 0.00 C ATOM 733 CG ARG A 126 19.628 -12.503 -6.129 1.00 0.00 C ATOM 734 CD ARG A 126 20.990 -12.468 -6.841 1.00 0.00 C ATOM 735 NE ARG A 126 22.042 -11.892 -5.989 1.00 0.00 N ATOM 736 CZ ARG A 126 23.228 -11.446 -6.355 1.00 0.00 C ATOM 737 NH1 ARG A 126 23.640 -11.485 -7.591 1.00 0.00 N ATOM 738 NH2 ARG A 126 24.030 -10.941 -5.463 1.00 0.00 N ATOM 0 H ARG A 126 18.348 -10.221 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 126 20.545 -9.968 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 126 17.869 -11.322 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 126 18.906 -10.721 -7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.772 -12.868 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 126 18.983 -13.220 -6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.273 -13.479 -7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 126 20.905 -11.884 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 126 21.828 -11.830 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 126 23.037 -11.871 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 126 24.565 -11.129 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 126 23.740 -10.892 -4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 126 24.948 -10.595 -5.741 1.00 0.00 H new ATOM 752 N CYS A 127 18.922 -8.172 -6.576 1.00 0.00 N ATOM 753 CA CYS A 127 18.248 -6.941 -7.001 1.00 0.00 C ATOM 754 C CYS A 127 17.352 -7.155 -8.234 1.00 0.00 C ATOM 755 O CYS A 127 17.557 -8.079 -9.028 1.00 0.00 O ATOM 756 CB CYS A 127 19.279 -5.815 -7.186 1.00 0.00 C ATOM 757 SG CYS A 127 20.482 -6.228 -8.487 1.00 0.00 S ATOM 0 H CYS A 127 19.503 -8.585 -7.306 1.00 0.00 H new ATOM 0 HA CYS A 127 17.563 -6.633 -6.211 1.00 0.00 H new ATOM 0 HB2 CYS A 127 18.766 -4.888 -7.443 1.00 0.00 H new ATOM 0 HB3 CYS A 127 19.802 -5.640 -6.246 1.00 0.00 H new ATOM 0 HG CYS A 127 21.334 -5.254 -8.616 1.00 0.00 H new ATOM 763 N LEU A 128 16.330 -6.303 -8.364 1.00 0.00 N ATOM 764 CA LEU A 128 15.221 -6.438 -9.314 1.00 0.00 C ATOM 765 C LEU A 128 14.769 -5.078 -9.871 1.00 0.00 C ATOM 766 O LEU A 128 14.958 -4.031 -9.242 1.00 0.00 O ATOM 767 CB LEU A 128 14.029 -7.093 -8.582 1.00 0.00 C ATOM 768 CG LEU A 128 14.220 -8.554 -8.133 1.00 0.00 C ATOM 769 CD1 LEU A 128 13.040 -8.963 -7.255 1.00 0.00 C ATOM 770 CD2 LEU A 128 14.301 -9.519 -9.318 1.00 0.00 C ATOM 0 H LEU A 128 16.250 -5.466 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 128 15.562 -7.047 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 128 13.797 -6.493 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 128 13.159 -7.048 -9.237 1.00 0.00 H new ATOM 0 HG LEU A 128 15.161 -8.610 -7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 128 13.167 -9.996 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.994 -8.313 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.115 -8.872 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 128 14.436 -10.536 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 128 13.380 -9.462 -9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.145 -9.247 -9.951 1.00 0.00 H new ATOM 782 N LYS A 129 14.129 -5.110 -11.045 1.00 0.00 N ATOM 783 CA LYS A 129 13.423 -3.969 -11.657 1.00 0.00 C ATOM 784 C LYS A 129 12.117 -3.652 -10.915 1.00 0.00 C ATOM 785 O LYS A 129 11.515 -4.529 -10.291 1.00 0.00 O ATOM 786 CB LYS A 129 13.107 -4.303 -13.129 1.00 0.00 C ATOM 787 CG LYS A 129 14.338 -4.496 -14.032 1.00 0.00 C ATOM 788 CD LYS A 129 15.144 -3.204 -14.246 1.00 0.00 C ATOM 789 CE LYS A 129 16.397 -3.435 -15.102 1.00 0.00 C ATOM 790 NZ LYS A 129 16.070 -3.778 -16.512 1.00 0.00 N ATOM 0 H LYS A 129 14.084 -5.954 -11.616 1.00 0.00 H new ATOM 0 HA LYS A 129 14.068 -3.093 -11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.508 -5.213 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.493 -3.503 -13.543 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.988 -5.253 -13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.014 -4.878 -15.000 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.511 -2.458 -14.727 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.438 -2.797 -13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.015 -2.538 -15.084 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.989 -4.239 -14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.950 -3.891 -17.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.532 -4.667 -16.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.500 -3.016 -16.931 1.00 0.00 H new ATOM 804 N ARG A 130 11.618 -2.419 -11.068 1.00 0.00 N ATOM 805 CA ARG A 130 10.324 -1.952 -10.538 1.00 0.00 C ATOM 806 C ARG A 130 9.141 -2.853 -10.919 1.00 0.00 C ATOM 807 O ARG A 130 8.275 -3.132 -10.092 1.00 0.00 O ATOM 808 CB ARG A 130 10.103 -0.515 -11.030 1.00 0.00 C ATOM 809 CG ARG A 130 9.083 0.187 -10.132 1.00 0.00 C ATOM 810 CD ARG A 130 8.761 1.597 -10.633 1.00 0.00 C ATOM 811 NE ARG A 130 9.941 2.489 -10.602 1.00 0.00 N ATOM 812 CZ ARG A 130 10.111 3.600 -11.298 1.00 0.00 C ATOM 813 NH1 ARG A 130 9.200 4.065 -12.107 1.00 0.00 N ATOM 814 NH2 ARG A 130 11.220 4.274 -11.195 1.00 0.00 N ATOM 0 H ARG A 130 12.118 -1.693 -11.581 1.00 0.00 H new ATOM 0 HA ARG A 130 10.367 -1.990 -9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 130 11.046 0.031 -11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 130 9.749 -0.524 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 130 8.167 -0.403 -10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.471 0.242 -9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.379 1.539 -11.652 1.00 0.00 H new ATOM 0 HD3 ARG A 130 7.969 2.026 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 130 10.702 2.219 -9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.317 3.567 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.371 4.926 -12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.961 3.945 -10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.348 5.131 -11.733 1.00 0.00 H new ATOM 828 N MET A 131 9.148 -3.353 -12.154 1.00 0.00 N ATOM 829 CA MET A 131 8.133 -4.237 -12.751 1.00 0.00 C ATOM 830 C MET A 131 8.099 -5.661 -12.150 1.00 0.00 C ATOM 831 O MET A 131 7.331 -6.512 -12.611 1.00 0.00 O ATOM 832 CB MET A 131 8.339 -4.300 -14.279 1.00 0.00 C ATOM 833 CG MET A 131 8.370 -2.923 -14.963 1.00 0.00 C ATOM 834 SD MET A 131 9.957 -2.037 -14.875 1.00 0.00 S ATOM 835 CE MET A 131 9.453 -0.442 -15.572 1.00 0.00 C ATOM 0 H MET A 131 9.903 -3.143 -12.807 1.00 0.00 H new ATOM 0 HA MET A 131 7.163 -3.799 -12.514 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.274 -4.819 -14.488 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.539 -4.895 -14.719 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.104 -3.052 -16.012 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.599 -2.297 -14.514 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.309 0.232 -15.594 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.080 -0.589 -16.586 1.00 0.00 H new ATOM 0 HE3 MET A 131 8.666 -0.008 -14.956 1.00 0.00 H new ATOM 845 N HIS A 132 8.930 -5.937 -11.137 1.00 0.00 N ATOM 846 CA HIS A 132 9.046 -7.232 -10.443 1.00 0.00 C ATOM 847 C HIS A 132 8.804 -7.116 -8.926 1.00 0.00 C ATOM 848 O HIS A 132 9.099 -8.055 -8.187 1.00 0.00 O ATOM 849 CB HIS A 132 10.407 -7.882 -10.766 1.00 0.00 C ATOM 850 CG HIS A 132 10.552 -8.346 -12.194 1.00 0.00 C ATOM 851 ND1 HIS A 132 10.598 -9.678 -12.619 1.00 0.00 N ATOM 852 CD2 HIS A 132 10.624 -7.540 -13.290 1.00 0.00 C ATOM 853 CE1 HIS A 132 10.719 -9.638 -13.960 1.00 0.00 C ATOM 854 NE2 HIS A 132 10.727 -8.364 -14.388 1.00 0.00 N ATOM 0 H HIS A 132 9.568 -5.236 -10.760 1.00 0.00 H new ATOM 0 HA HIS A 132 8.255 -7.883 -10.815 1.00 0.00 H new ATOM 0 HB2 HIS A 132 11.199 -7.166 -10.547 1.00 0.00 H new ATOM 0 HB3 HIS A 132 10.556 -8.734 -10.103 1.00 0.00 H new ATOM 0 HD2 HIS A 132 10.604 -6.460 -13.296 1.00 0.00 H new ATOM 0 HE1 HIS A 132 10.798 -10.505 -14.599 1.00 0.00 H new ATOM 0 HE2 HIS A 132 10.797 -8.060 -15.359 1.00 0.00 H new ATOM 862 N ILE A 133 8.266 -5.988 -8.443 1.00 0.00 N ATOM 863 CA ILE A 133 8.027 -5.712 -7.013 1.00 0.00 C ATOM 864 C ILE A 133 6.632 -5.094 -6.822 1.00 0.00 C ATOM 865 O ILE A 133 6.184 -4.271 -7.626 1.00 0.00 O ATOM 866 CB ILE A 133 9.138 -4.801 -6.424 1.00 0.00 C ATOM 867 CG1 ILE A 133 10.552 -5.325 -6.777 1.00 0.00 C ATOM 868 CG2 ILE A 133 8.990 -4.677 -4.892 1.00 0.00 C ATOM 869 CD1 ILE A 133 11.702 -4.488 -6.216 1.00 0.00 C ATOM 0 H ILE A 133 7.976 -5.220 -9.049 1.00 0.00 H new ATOM 0 HA ILE A 133 8.062 -6.654 -6.466 1.00 0.00 H new ATOM 0 HB ILE A 133 9.019 -3.815 -6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.649 -6.346 -6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 133 10.648 -5.369 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.779 -4.034 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 133 8.018 -4.244 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 133 9.068 -5.665 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 133 12.653 -4.930 -6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 133 11.636 -3.472 -6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 133 11.638 -4.464 -5.128 1.00 0.00 H new ATOM 881 N LYS A 134 5.948 -5.483 -5.740 1.00 0.00 N ATOM 882 CA LYS A 134 4.597 -5.041 -5.351 1.00 0.00 C ATOM 883 C LYS A 134 4.527 -4.780 -3.844 1.00 0.00 C ATOM 884 O LYS A 134 5.234 -5.407 -3.055 1.00 0.00 O ATOM 885 CB LYS A 134 3.570 -6.130 -5.719 1.00 0.00 C ATOM 886 CG LYS A 134 3.374 -6.381 -7.225 1.00 0.00 C ATOM 887 CD LYS A 134 2.631 -5.259 -7.965 1.00 0.00 C ATOM 888 CE LYS A 134 1.181 -5.132 -7.479 1.00 0.00 C ATOM 889 NZ LYS A 134 0.430 -4.115 -8.259 1.00 0.00 N ATOM 0 H LYS A 134 6.340 -6.150 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 134 4.371 -4.117 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.876 -7.065 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.607 -5.857 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.351 -6.520 -7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.824 -7.313 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.152 -4.314 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.641 -5.459 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 134 0.682 -6.098 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 134 1.173 -4.861 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.546 -4.056 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 0.892 -3.189 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 0.417 -4.387 -9.263 1.00 0.00 H new ATOM 903 N ALA A 135 3.635 -3.883 -3.437 1.00 0.00 N ATOM 904 CA ALA A 135 3.309 -3.673 -2.027 1.00 0.00 C ATOM 905 C ALA A 135 2.615 -4.920 -1.444 1.00 0.00 C ATOM 906 O ALA A 135 1.718 -5.491 -2.073 1.00 0.00 O ATOM 907 CB ALA A 135 2.425 -2.425 -1.909 1.00 0.00 C ATOM 0 H ALA A 135 3.116 -3.279 -4.075 1.00 0.00 H new ATOM 0 HA ALA A 135 4.220 -3.516 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.173 -2.255 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.963 -1.560 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.510 -2.572 -2.483 1.00 0.00 H new ATOM 913 N MET A 136 3.011 -5.340 -0.238 1.00 0.00 N ATOM 914 CA MET A 136 2.314 -6.406 0.493 1.00 0.00 C ATOM 915 C MET A 136 0.910 -5.917 0.924 1.00 0.00 C ATOM 916 O MET A 136 0.805 -4.815 1.475 1.00 0.00 O ATOM 917 CB MET A 136 3.173 -6.850 1.686 1.00 0.00 C ATOM 918 CG MET A 136 2.609 -8.114 2.345 1.00 0.00 C ATOM 919 SD MET A 136 3.649 -8.824 3.648 1.00 0.00 S ATOM 920 CE MET A 136 4.967 -9.576 2.653 1.00 0.00 C ATOM 0 H MET A 136 3.816 -4.955 0.256 1.00 0.00 H new ATOM 0 HA MET A 136 2.168 -7.274 -0.150 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.193 -7.037 1.351 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.221 -6.046 2.420 1.00 0.00 H new ATOM 0 HG2 MET A 136 1.632 -7.881 2.767 1.00 0.00 H new ATOM 0 HG3 MET A 136 2.452 -8.869 1.574 1.00 0.00 H new ATOM 0 HE1 MET A 136 5.642 -10.131 3.304 1.00 0.00 H new ATOM 0 HE2 MET A 136 4.528 -10.254 1.921 1.00 0.00 H new ATOM 0 HE3 MET A 136 5.523 -8.794 2.135 1.00 0.00 H new