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 Single : A 88 LYS NZ :NH3+ -150:sc= 1.26 (180deg=1.09) USER MOD Single : A 98 THR OG1 : rot -41:sc= 0.00617 USER MOD Single : A 100 CYS SG : rot 180:sc= 0.0144 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 155:sc= 1.21 USER MOD Single : A 106 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0108) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0.725 K(o=0.72,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+ 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=-0.3) USER MOD Single : A 134 LYS NZ :NH3+ 141:sc= 0.223 (180deg=0.00265) USER MOD Single : A 136 MET CE :methyl -158:sc= 0 (180deg=-0.041) USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 87 8.631 3.628 -1.061 1.00 0.00 N ATOM 101 CA PHE A 87 9.430 2.586 -0.407 1.00 0.00 C ATOM 102 C PHE A 87 10.589 3.175 0.423 1.00 0.00 C ATOM 103 O PHE A 87 11.032 4.307 0.198 1.00 0.00 O ATOM 104 CB PHE A 87 9.971 1.620 -1.473 1.00 0.00 C ATOM 105 CG PHE A 87 8.911 0.821 -2.215 1.00 0.00 C ATOM 106 CD1 PHE A 87 8.115 -0.112 -1.522 1.00 0.00 C ATOM 107 CD2 PHE A 87 8.730 0.992 -3.602 1.00 0.00 C ATOM 108 CE1 PHE A 87 7.137 -0.858 -2.205 1.00 0.00 C ATOM 109 CE2 PHE A 87 7.756 0.240 -4.287 1.00 0.00 C ATOM 110 CZ PHE A 87 6.958 -0.684 -3.588 1.00 0.00 C ATOM 0 HA PHE A 87 8.784 2.050 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 87 10.548 2.191 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.660 0.924 -0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.256 -0.255 -0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.340 1.702 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.523 -1.565 -1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.622 0.373 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.209 -1.258 -4.113 1.00 0.00 H new ATOM 120 N LYS A 88 11.114 2.373 1.358 1.00 0.00 N ATOM 121 CA LYS A 88 12.302 2.666 2.178 1.00 0.00 C ATOM 122 C LYS A 88 13.058 1.382 2.541 1.00 0.00 C ATOM 123 O LYS A 88 12.493 0.289 2.492 1.00 0.00 O ATOM 124 CB LYS A 88 11.932 3.493 3.428 1.00 0.00 C ATOM 125 CG LYS A 88 10.908 2.886 4.408 1.00 0.00 C ATOM 126 CD LYS A 88 9.446 3.027 3.956 1.00 0.00 C ATOM 127 CE LYS A 88 8.511 2.890 5.163 1.00 0.00 C ATOM 128 NZ LYS A 88 7.086 2.891 4.752 1.00 0.00 N ATOM 0 H LYS A 88 10.707 1.463 1.575 1.00 0.00 H new ATOM 0 HA LYS A 88 12.978 3.277 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.849 3.693 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.546 4.455 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.134 1.829 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.024 3.365 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.296 3.995 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.210 2.264 3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.736 1.966 5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.690 3.710 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.505 3.297 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.974 3.461 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.778 1.915 4.565 1.00 0.00 H new ATOM 142 N ALA A 89 14.332 1.504 2.908 1.00 0.00 N ATOM 143 CA ALA A 89 15.139 0.366 3.356 1.00 0.00 C ATOM 144 C ALA A 89 14.521 -0.291 4.610 1.00 0.00 C ATOM 145 O ALA A 89 14.193 0.390 5.586 1.00 0.00 O ATOM 146 CB ALA A 89 16.577 0.841 3.598 1.00 0.00 C ATOM 0 H ALA A 89 14.835 2.391 2.904 1.00 0.00 H new ATOM 0 HA ALA A 89 15.154 -0.403 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 89 17.186 0.001 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.988 1.242 2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.580 1.618 4.363 1.00 0.00 H new ATOM 152 N GLY A 90 14.334 -1.611 4.564 1.00 0.00 N ATOM 153 CA GLY A 90 13.662 -2.412 5.593 1.00 0.00 C ATOM 154 C GLY A 90 12.160 -2.633 5.351 1.00 0.00 C ATOM 155 O GLY A 90 11.555 -3.455 6.040 1.00 0.00 O ATOM 0 H GLY A 90 14.659 -2.175 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.153 -3.383 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.793 -1.924 6.559 1.00 0.00 H new ATOM 159 N GLU A 91 11.544 -1.931 4.391 1.00 0.00 N ATOM 160 CA GLU A 91 10.130 -2.114 4.029 1.00 0.00 C ATOM 161 C GLU A 91 9.878 -3.500 3.413 1.00 0.00 C ATOM 162 O GLU A 91 10.599 -3.931 2.509 1.00 0.00 O ATOM 163 CB GLU A 91 9.702 -1.000 3.057 1.00 0.00 C ATOM 164 CG GLU A 91 8.228 -1.024 2.632 1.00 0.00 C ATOM 165 CD GLU A 91 7.255 -0.810 3.806 1.00 0.00 C ATOM 166 OE1 GLU A 91 7.075 -1.731 4.637 1.00 0.00 O ATOM 167 OE2 GLU A 91 6.671 0.297 3.899 1.00 0.00 O ATOM 0 H GLU A 91 12.015 -1.214 3.839 1.00 0.00 H new ATOM 0 HA GLU A 91 9.530 -2.052 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.913 -0.036 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.321 -1.065 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.060 -0.250 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.009 -1.980 2.157 1.00 0.00 H new ATOM 174 N GLU A 92 8.844 -4.195 3.890 1.00 0.00 N ATOM 175 CA GLU A 92 8.443 -5.517 3.393 1.00 0.00 C ATOM 176 C GLU A 92 7.615 -5.400 2.102 1.00 0.00 C ATOM 177 O GLU A 92 6.803 -4.483 1.937 1.00 0.00 O ATOM 178 CB GLU A 92 7.641 -6.277 4.459 1.00 0.00 C ATOM 179 CG GLU A 92 8.502 -6.639 5.677 1.00 0.00 C ATOM 180 CD GLU A 92 7.708 -7.493 6.682 1.00 0.00 C ATOM 181 OE1 GLU A 92 6.941 -6.924 7.496 1.00 0.00 O ATOM 182 OE2 GLU A 92 7.859 -8.739 6.677 1.00 0.00 O ATOM 0 H GLU A 92 8.250 -3.851 4.645 1.00 0.00 H new ATOM 0 HA GLU A 92 9.353 -6.073 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.796 -5.667 4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.229 -7.187 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.388 -7.185 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.850 -5.728 6.164 1.00 0.00 H new ATOM 189 N VAL A 93 7.815 -6.347 1.185 1.00 0.00 N ATOM 190 CA VAL A 93 7.272 -6.351 -0.182 1.00 0.00 C ATOM 191 C VAL A 93 7.027 -7.777 -0.689 1.00 0.00 C ATOM 192 O VAL A 93 7.487 -8.761 -0.104 1.00 0.00 O ATOM 193 CB VAL A 93 8.219 -5.611 -1.163 1.00 0.00 C ATOM 194 CG1 VAL A 93 8.298 -4.110 -0.862 1.00 0.00 C ATOM 195 CG2 VAL A 93 9.644 -6.181 -1.205 1.00 0.00 C ATOM 0 H VAL A 93 8.385 -7.171 1.379 1.00 0.00 H new ATOM 0 HA VAL A 93 6.317 -5.826 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 93 7.768 -5.771 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.972 -3.631 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.305 -3.669 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.673 -3.961 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.244 -5.610 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.092 -6.114 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.609 -7.225 -1.518 1.00 0.00 H new ATOM 205 N LEU A 94 6.338 -7.878 -1.824 1.00 0.00 N ATOM 206 CA LEU A 94 6.183 -9.098 -2.615 1.00 0.00 C ATOM 207 C LEU A 94 6.930 -8.911 -3.941 1.00 0.00 C ATOM 208 O LEU A 94 6.899 -7.820 -4.513 1.00 0.00 O ATOM 209 CB LEU A 94 4.689 -9.350 -2.879 1.00 0.00 C ATOM 210 CG LEU A 94 3.822 -9.680 -1.651 1.00 0.00 C ATOM 211 CD1 LEU A 94 2.440 -10.124 -2.136 1.00 0.00 C ATOM 212 CD2 LEU A 94 4.395 -10.800 -0.782 1.00 0.00 C ATOM 0 H LEU A 94 5.853 -7.080 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 94 6.592 -9.955 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.274 -8.466 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.602 -10.172 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 94 3.783 -8.778 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.812 -10.362 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.980 -9.320 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.542 -11.007 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.732 -10.979 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.482 -11.711 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.380 -10.509 -0.417 1.00 0.00 H new ATOM 224 N ALA A 95 7.592 -9.948 -4.454 1.00 0.00 N ATOM 225 CA ALA A 95 8.368 -9.834 -5.691 1.00 0.00 C ATOM 226 C ALA A 95 8.487 -11.167 -6.447 1.00 0.00 C ATOM 227 O ALA A 95 8.444 -12.250 -5.852 1.00 0.00 O ATOM 228 CB ALA A 95 9.743 -9.243 -5.346 1.00 0.00 C ATOM 0 H ALA A 95 7.607 -10.877 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 95 7.842 -9.169 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.337 -9.150 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.613 -8.259 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.255 -9.900 -4.643 1.00 0.00 H new ATOM 234 N ARG A 96 8.622 -11.075 -7.777 1.00 0.00 N ATOM 235 CA ARG A 96 8.731 -12.219 -8.693 1.00 0.00 C ATOM 236 C ARG A 96 10.169 -12.748 -8.712 1.00 0.00 C ATOM 237 O ARG A 96 11.084 -12.051 -9.157 1.00 0.00 O ATOM 238 CB ARG A 96 8.254 -11.792 -10.091 1.00 0.00 C ATOM 239 CG ARG A 96 7.987 -12.999 -11.002 1.00 0.00 C ATOM 240 CD ARG A 96 7.456 -12.522 -12.359 1.00 0.00 C ATOM 241 NE ARG A 96 7.067 -13.652 -13.227 1.00 0.00 N ATOM 242 CZ ARG A 96 5.894 -14.261 -13.262 1.00 0.00 C ATOM 243 NH1 ARG A 96 4.926 -13.958 -12.446 1.00 0.00 N ATOM 244 NH2 ARG A 96 5.672 -15.204 -14.131 1.00 0.00 N ATOM 0 H ARG A 96 8.659 -10.177 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 96 8.095 -13.035 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.344 -11.200 -9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.006 -11.151 -10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.905 -13.570 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.264 -13.667 -10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.596 -11.871 -12.204 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.220 -11.927 -12.859 1.00 0.00 H new ATOM 0 HE ARG A 96 7.780 -14.000 -13.868 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.058 -13.227 -11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.035 -14.452 -12.506 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.404 -15.475 -14.788 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.766 -15.672 -14.155 1.00 0.00 H new ATOM 258 N TRP A 97 10.368 -13.964 -8.208 1.00 0.00 N ATOM 259 CA TRP A 97 11.684 -14.606 -8.087 1.00 0.00 C ATOM 260 C TRP A 97 12.007 -15.501 -9.305 1.00 0.00 C ATOM 261 O TRP A 97 11.418 -15.343 -10.378 1.00 0.00 O ATOM 262 CB TRP A 97 11.734 -15.343 -6.734 1.00 0.00 C ATOM 263 CG TRP A 97 13.110 -15.632 -6.212 1.00 0.00 C ATOM 264 CD1 TRP A 97 13.586 -16.851 -5.868 1.00 0.00 C ATOM 265 CD2 TRP A 97 14.192 -14.689 -5.923 1.00 0.00 C ATOM 266 NE1 TRP A 97 14.892 -16.736 -5.431 1.00 0.00 N ATOM 267 CE2 TRP A 97 15.305 -15.421 -5.409 1.00 0.00 C ATOM 268 CE3 TRP A 97 14.339 -13.287 -6.024 1.00 0.00 C ATOM 269 CZ2 TRP A 97 16.485 -14.788 -4.989 1.00 0.00 C ATOM 270 CZ3 TRP A 97 15.503 -12.644 -5.560 1.00 0.00 C ATOM 271 CH2 TRP A 97 16.559 -13.391 -5.015 1.00 0.00 C ATOM 0 H TRP A 97 9.605 -14.547 -7.864 1.00 0.00 H new ATOM 0 HA TRP A 97 12.475 -13.856 -8.096 1.00 0.00 H new ATOM 0 HB2 TRP A 97 11.201 -14.746 -5.994 1.00 0.00 H new ATOM 0 HB3 TRP A 97 11.195 -16.285 -6.832 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.029 -17.775 -5.926 1.00 0.00 H new ATOM 0 HE1 TRP A 97 15.477 -17.526 -5.159 1.00 0.00 H new ATOM 0 HE3 TRP A 97 13.547 -12.700 -6.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 17.327 -15.373 -4.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 15.584 -11.569 -5.624 1.00 0.00 H new ATOM 0 HH2 TRP A 97 17.428 -12.888 -4.616 1.00 0.00 H new ATOM 282 N THR A 98 12.943 -16.449 -9.161 1.00 0.00 N ATOM 283 CA THR A 98 13.236 -17.501 -10.165 1.00 0.00 C ATOM 284 C THR A 98 12.037 -18.432 -10.458 1.00 0.00 C ATOM 285 O THR A 98 12.029 -19.171 -11.444 1.00 0.00 O ATOM 286 CB THR A 98 14.486 -18.299 -9.736 1.00 0.00 C ATOM 287 OG1 THR A 98 15.080 -18.958 -10.835 1.00 0.00 O ATOM 288 CG2 THR A 98 14.215 -19.353 -8.659 1.00 0.00 C ATOM 0 H THR A 98 13.533 -16.514 -8.331 1.00 0.00 H new ATOM 0 HA THR A 98 13.438 -16.995 -11.109 1.00 0.00 H new ATOM 0 HB THR A 98 15.155 -17.545 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 98 14.380 -19.333 -11.409 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.143 -19.869 -8.413 1.00 0.00 H new ATOM 0 HG22 THR A 98 13.822 -18.868 -7.766 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.486 -20.074 -9.030 1.00 0.00 H new ATOM 296 N ASP A 99 10.991 -18.361 -9.628 1.00 0.00 N ATOM 297 CA ASP A 99 9.702 -19.048 -9.758 1.00 0.00 C ATOM 298 C ASP A 99 8.551 -18.015 -9.788 1.00 0.00 C ATOM 299 O ASP A 99 8.661 -16.930 -9.212 1.00 0.00 O ATOM 300 CB ASP A 99 9.580 -20.037 -8.589 1.00 0.00 C ATOM 301 CG ASP A 99 8.213 -20.724 -8.539 1.00 0.00 C ATOM 302 OD1 ASP A 99 7.866 -21.454 -9.497 1.00 0.00 O ATOM 303 OD2 ASP A 99 7.486 -20.518 -7.539 1.00 0.00 O ATOM 0 H ASP A 99 11.025 -17.782 -8.789 1.00 0.00 H new ATOM 0 HA ASP A 99 9.639 -19.603 -10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.360 -20.794 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.751 -19.508 -7.651 1.00 0.00 H new ATOM 308 N CYS A 100 7.457 -18.335 -10.486 1.00 0.00 N ATOM 309 CA CYS A 100 6.376 -17.393 -10.812 1.00 0.00 C ATOM 310 C CYS A 100 5.534 -16.880 -9.623 1.00 0.00 C ATOM 311 O CYS A 100 4.834 -15.873 -9.772 1.00 0.00 O ATOM 312 CB CYS A 100 5.478 -18.027 -11.887 1.00 0.00 C ATOM 313 SG CYS A 100 4.682 -19.543 -11.276 1.00 0.00 S ATOM 0 H CYS A 100 7.293 -19.274 -10.848 1.00 0.00 H new ATOM 0 HA CYS A 100 6.869 -16.492 -11.177 1.00 0.00 H new ATOM 0 HB2 CYS A 100 4.715 -17.312 -12.194 1.00 0.00 H new ATOM 0 HB3 CYS A 100 6.073 -18.257 -12.771 1.00 0.00 H new ATOM 0 HG CYS A 100 3.932 -20.046 -12.211 1.00 0.00 H new ATOM 319 N ARG A 101 5.573 -17.543 -8.458 1.00 0.00 N ATOM 320 CA ARG A 101 4.888 -17.087 -7.233 1.00 0.00 C ATOM 321 C ARG A 101 5.532 -15.812 -6.663 1.00 0.00 C ATOM 322 O ARG A 101 6.716 -15.536 -6.863 1.00 0.00 O ATOM 323 CB ARG A 101 4.866 -18.210 -6.176 1.00 0.00 C ATOM 324 CG ARG A 101 3.732 -19.234 -6.340 1.00 0.00 C ATOM 325 CD ARG A 101 3.880 -20.133 -7.575 1.00 0.00 C ATOM 326 NE ARG A 101 2.813 -21.152 -7.634 1.00 0.00 N ATOM 327 CZ ARG A 101 1.622 -21.034 -8.199 1.00 0.00 C ATOM 328 NH1 ARG A 101 1.236 -19.944 -8.801 1.00 0.00 N ATOM 329 NH2 ARG A 101 0.779 -22.026 -8.164 1.00 0.00 N ATOM 0 H ARG A 101 6.084 -18.417 -8.335 1.00 0.00 H new ATOM 0 HA ARG A 101 3.860 -16.841 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.819 -18.738 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 101 4.786 -17.757 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.690 -19.861 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.782 -18.703 -6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.851 -19.522 -8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.853 -20.624 -7.554 1.00 0.00 H new ATOM 0 HE ARG A 101 3.017 -22.047 -7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.861 -19.139 -8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.309 -19.896 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.036 -22.897 -7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.138 -21.932 -8.600 1.00 0.00 H new ATOM 343 N TYR A 102 4.740 -15.057 -5.901 1.00 0.00 N ATOM 344 CA TYR A 102 5.133 -13.797 -5.262 1.00 0.00 C ATOM 345 C TYR A 102 5.434 -14.027 -3.774 1.00 0.00 C ATOM 346 O TYR A 102 4.583 -13.834 -2.902 1.00 0.00 O ATOM 347 CB TYR A 102 4.046 -12.741 -5.498 1.00 0.00 C ATOM 348 CG TYR A 102 3.952 -12.281 -6.939 1.00 0.00 C ATOM 349 CD1 TYR A 102 4.835 -11.290 -7.412 1.00 0.00 C ATOM 350 CD2 TYR A 102 3.004 -12.851 -7.810 1.00 0.00 C ATOM 351 CE1 TYR A 102 4.778 -10.878 -8.756 1.00 0.00 C ATOM 352 CE2 TYR A 102 2.947 -12.443 -9.157 1.00 0.00 C ATOM 353 CZ TYR A 102 3.843 -11.462 -9.636 1.00 0.00 C ATOM 354 OH TYR A 102 3.806 -11.074 -10.939 1.00 0.00 O ATOM 0 H TYR A 102 3.773 -15.314 -5.704 1.00 0.00 H new ATOM 0 HA TYR A 102 6.053 -13.419 -5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.083 -13.148 -5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 102 4.244 -11.878 -4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.556 -10.846 -6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.319 -13.602 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.451 -10.113 -9.115 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.218 -12.880 -9.823 1.00 0.00 H new ATOM 0 HH TYR A 102 3.106 -11.574 -11.409 1.00 0.00 H new ATOM 364 N TYR A 103 6.642 -14.518 -3.498 1.00 0.00 N ATOM 365 CA TYR A 103 7.119 -14.841 -2.148 1.00 0.00 C ATOM 366 C TYR A 103 7.396 -13.570 -1.309 1.00 0.00 C ATOM 367 O TYR A 103 7.707 -12.515 -1.880 1.00 0.00 O ATOM 368 CB TYR A 103 8.381 -15.713 -2.258 1.00 0.00 C ATOM 369 CG TYR A 103 8.159 -17.045 -2.950 1.00 0.00 C ATOM 370 CD1 TYR A 103 7.646 -18.141 -2.227 1.00 0.00 C ATOM 371 CD2 TYR A 103 8.447 -17.181 -4.323 1.00 0.00 C ATOM 372 CE1 TYR A 103 7.408 -19.367 -2.878 1.00 0.00 C ATOM 373 CE2 TYR A 103 8.202 -18.402 -4.978 1.00 0.00 C ATOM 374 CZ TYR A 103 7.673 -19.498 -4.260 1.00 0.00 C ATOM 375 OH TYR A 103 7.386 -20.666 -4.895 1.00 0.00 O ATOM 0 H TYR A 103 7.335 -14.708 -4.222 1.00 0.00 H new ATOM 0 HA TYR A 103 6.336 -15.391 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.146 -15.158 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.770 -15.897 -1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.435 -18.040 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 103 8.856 -16.347 -4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 103 7.023 -20.208 -2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 103 8.419 -18.502 -6.031 1.00 0.00 H new ATOM 0 HH TYR A 103 7.237 -20.492 -5.848 1.00 0.00 H new ATOM 385 N PRO A 104 7.312 -13.647 0.035 1.00 0.00 N ATOM 386 CA PRO A 104 7.574 -12.511 0.919 1.00 0.00 C ATOM 387 C PRO A 104 9.063 -12.132 0.962 1.00 0.00 C ATOM 388 O PRO A 104 9.949 -12.990 1.055 1.00 0.00 O ATOM 389 CB PRO A 104 7.047 -12.930 2.295 1.00 0.00 C ATOM 390 CG PRO A 104 7.153 -14.453 2.277 1.00 0.00 C ATOM 391 CD PRO A 104 6.892 -14.805 0.814 1.00 0.00 C ATOM 0 HA PRO A 104 7.075 -11.611 0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.641 -12.497 3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.019 -12.602 2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.136 -14.792 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.421 -14.915 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.451 -15.694 0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.837 -15.023 0.649 1.00 0.00 H new ATOM 399 N ALA A 105 9.326 -10.828 0.931 1.00 0.00 N ATOM 400 CA ALA A 105 10.659 -10.230 0.916 1.00 0.00 C ATOM 401 C ALA A 105 10.669 -8.847 1.600 1.00 0.00 C ATOM 402 O ALA A 105 9.644 -8.365 2.089 1.00 0.00 O ATOM 403 CB ALA A 105 11.106 -10.137 -0.554 1.00 0.00 C ATOM 0 H ALA A 105 8.584 -10.129 0.915 1.00 0.00 H new ATOM 0 HA ALA A 105 11.355 -10.849 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.101 -9.694 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.131 -11.135 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.403 -9.516 -1.109 1.00 0.00 H new ATOM 409 N LYS A 106 11.831 -8.191 1.614 1.00 0.00 N ATOM 410 CA LYS A 106 12.011 -6.787 2.014 1.00 0.00 C ATOM 411 C LYS A 106 13.071 -6.097 1.154 1.00 0.00 C ATOM 412 O LYS A 106 13.961 -6.756 0.612 1.00 0.00 O ATOM 413 CB LYS A 106 12.331 -6.692 3.519 1.00 0.00 C ATOM 414 CG LYS A 106 13.693 -7.301 3.890 1.00 0.00 C ATOM 415 CD LYS A 106 13.989 -7.231 5.397 1.00 0.00 C ATOM 416 CE LYS A 106 13.067 -8.111 6.257 1.00 0.00 C ATOM 417 NZ LYS A 106 13.290 -9.562 6.018 1.00 0.00 N ATOM 0 H LYS A 106 12.706 -8.636 1.338 1.00 0.00 H new ATOM 0 HA LYS A 106 11.075 -6.256 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.314 -5.645 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.548 -7.199 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.720 -8.342 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 106 14.479 -6.778 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 106 15.023 -7.530 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.898 -6.196 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.235 -7.888 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.027 -7.865 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.696 -10.116 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.040 -9.794 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.291 -9.791 6.184 1.00 0.00 H new ATOM 431 N ILE A 107 12.977 -4.777 1.029 1.00 0.00 N ATOM 432 CA ILE A 107 13.938 -3.948 0.289 1.00 0.00 C ATOM 433 C ILE A 107 15.151 -3.639 1.180 1.00 0.00 C ATOM 434 O ILE A 107 15.004 -3.224 2.328 1.00 0.00 O ATOM 435 CB ILE A 107 13.249 -2.665 -0.230 1.00 0.00 C ATOM 436 CG1 ILE A 107 12.153 -3.034 -1.261 1.00 0.00 C ATOM 437 CG2 ILE A 107 14.280 -1.724 -0.880 1.00 0.00 C ATOM 438 CD1 ILE A 107 11.263 -1.865 -1.697 1.00 0.00 C ATOM 0 H ILE A 107 12.218 -4.238 1.445 1.00 0.00 H new ATOM 0 HA ILE A 107 14.300 -4.492 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 107 12.791 -2.151 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 107 12.632 -3.457 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.522 -3.814 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 107 13.777 -0.826 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 107 15.035 -1.447 -0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.759 -2.232 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 107 10.526 -2.218 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 107 10.751 -1.454 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.878 -1.091 -2.156 1.00 0.00 H new ATOM 450 N GLU A 108 16.352 -3.804 0.631 1.00 0.00 N ATOM 451 CA GLU A 108 17.638 -3.583 1.310 1.00 0.00 C ATOM 452 C GLU A 108 18.323 -2.272 0.879 1.00 0.00 C ATOM 453 O GLU A 108 19.026 -1.660 1.685 1.00 0.00 O ATOM 454 CB GLU A 108 18.576 -4.763 1.002 1.00 0.00 C ATOM 455 CG GLU A 108 18.137 -6.094 1.628 1.00 0.00 C ATOM 456 CD GLU A 108 18.313 -6.079 3.158 1.00 0.00 C ATOM 457 OE1 GLU A 108 19.457 -6.275 3.637 1.00 0.00 O ATOM 458 OE2 GLU A 108 17.319 -5.851 3.888 1.00 0.00 O ATOM 0 H GLU A 108 16.467 -4.107 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 108 17.434 -3.508 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.643 -4.887 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.577 -4.520 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.093 -6.287 1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.721 -6.909 1.201 1.00 0.00 H new ATOM 465 N ALA A 109 18.107 -1.824 -0.365 1.00 0.00 N ATOM 466 CA ALA A 109 18.638 -0.564 -0.902 1.00 0.00 C ATOM 467 C ALA A 109 17.784 -0.017 -2.064 1.00 0.00 C ATOM 468 O ALA A 109 17.111 -0.774 -2.771 1.00 0.00 O ATOM 469 CB ALA A 109 20.088 -0.782 -1.358 1.00 0.00 C ATOM 0 H ALA A 109 17.545 -2.340 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 109 18.604 0.183 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 109 20.488 0.150 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.692 -1.101 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 109 20.115 -1.550 -2.132 1.00 0.00 H new ATOM 475 N ILE A 110 17.835 1.306 -2.267 1.00 0.00 N ATOM 476 CA ILE A 110 16.995 2.073 -3.206 1.00 0.00 C ATOM 477 C ILE A 110 17.823 3.183 -3.868 1.00 0.00 C ATOM 478 O ILE A 110 18.630 3.841 -3.203 1.00 0.00 O ATOM 479 CB ILE A 110 15.789 2.709 -2.458 1.00 0.00 C ATOM 480 CG1 ILE A 110 14.939 1.628 -1.757 1.00 0.00 C ATOM 481 CG2 ILE A 110 14.922 3.558 -3.414 1.00 0.00 C ATOM 482 CD1 ILE A 110 13.707 2.142 -1.010 1.00 0.00 C ATOM 0 H ILE A 110 18.491 1.900 -1.760 1.00 0.00 H new ATOM 0 HA ILE A 110 16.623 1.391 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 110 16.188 3.373 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.614 0.905 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 110 15.574 1.093 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 110 14.087 3.989 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 110 15.527 4.358 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.539 2.926 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.181 1.303 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 110 14.018 2.840 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.043 2.650 -1.710 1.00 0.00 H new ATOM 566 N PHE A 116 16.450 -2.072 -7.229 1.00 0.00 N ATOM 567 CA PHE A 116 16.116 -2.313 -5.828 1.00 0.00 C ATOM 568 C PHE A 116 16.783 -3.606 -5.347 1.00 0.00 C ATOM 569 O PHE A 116 16.417 -4.698 -5.793 1.00 0.00 O ATOM 570 CB PHE A 116 14.589 -2.418 -5.683 1.00 0.00 C ATOM 571 CG PHE A 116 13.838 -1.140 -6.008 1.00 0.00 C ATOM 572 CD1 PHE A 116 13.509 -0.821 -7.341 1.00 0.00 C ATOM 573 CD2 PHE A 116 13.487 -0.254 -4.972 1.00 0.00 C ATOM 574 CE1 PHE A 116 12.861 0.393 -7.636 1.00 0.00 C ATOM 575 CE2 PHE A 116 12.832 0.954 -5.266 1.00 0.00 C ATOM 576 CZ PHE A 116 12.523 1.280 -6.598 1.00 0.00 C ATOM 0 HA PHE A 116 16.480 -1.486 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 116 14.228 -3.213 -6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 116 14.353 -2.714 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 116 13.754 -1.509 -8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.722 -0.503 -3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.623 0.644 -8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 116 12.566 1.632 -4.469 1.00 0.00 H new ATOM 0 HZ PHE A 116 12.026 2.212 -6.824 1.00 0.00 H new ATOM 586 N THR A 117 17.771 -3.508 -4.457 1.00 0.00 N ATOM 587 CA THR A 117 18.315 -4.684 -3.756 1.00 0.00 C ATOM 588 C THR A 117 17.244 -5.214 -2.802 1.00 0.00 C ATOM 589 O THR A 117 16.601 -4.429 -2.101 1.00 0.00 O ATOM 590 CB THR A 117 19.593 -4.343 -2.972 1.00 0.00 C ATOM 591 OG1 THR A 117 20.508 -3.635 -3.782 1.00 0.00 O ATOM 592 CG2 THR A 117 20.326 -5.592 -2.477 1.00 0.00 C ATOM 0 H THR A 117 18.215 -2.627 -4.200 1.00 0.00 H new ATOM 0 HA THR A 117 18.583 -5.440 -4.494 1.00 0.00 H new ATOM 0 HB THR A 117 19.263 -3.744 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 117 21.312 -3.427 -3.262 1.00 0.00 H new ATOM 0 HG21 THR A 117 21.221 -5.296 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.670 -6.162 -1.819 1.00 0.00 H new ATOM 0 HG23 THR A 117 20.610 -6.209 -3.329 1.00 0.00 H new ATOM 600 N VAL A 118 17.042 -6.530 -2.756 1.00 0.00 N ATOM 601 CA VAL A 118 15.968 -7.187 -1.992 1.00 0.00 C ATOM 602 C VAL A 118 16.464 -8.465 -1.313 1.00 0.00 C ATOM 603 O VAL A 118 17.342 -9.155 -1.834 1.00 0.00 O ATOM 604 CB VAL A 118 14.745 -7.518 -2.882 1.00 0.00 C ATOM 605 CG1 VAL A 118 13.960 -6.259 -3.267 1.00 0.00 C ATOM 606 CG2 VAL A 118 15.102 -8.275 -4.171 1.00 0.00 C ATOM 0 H VAL A 118 17.633 -7.191 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 118 15.657 -6.476 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 118 14.131 -8.171 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 118 13.111 -6.537 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.601 -5.764 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.610 -5.580 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.194 -8.471 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.784 -7.672 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.582 -9.220 -3.917 1.00 0.00 H new ATOM 616 N GLN A 119 15.861 -8.799 -0.171 1.00 0.00 N ATOM 617 CA GLN A 119 16.133 -10.013 0.602 1.00 0.00 C ATOM 618 C GLN A 119 14.829 -10.773 0.872 1.00 0.00 C ATOM 619 O GLN A 119 13.878 -10.210 1.418 1.00 0.00 O ATOM 620 CB GLN A 119 16.859 -9.656 1.911 1.00 0.00 C ATOM 621 CG GLN A 119 17.188 -10.916 2.733 1.00 0.00 C ATOM 622 CD GLN A 119 18.062 -10.633 3.951 1.00 0.00 C ATOM 623 OE1 GLN A 119 17.799 -9.749 4.757 1.00 0.00 O ATOM 624 NE2 GLN A 119 19.123 -11.388 4.150 1.00 0.00 N ATOM 0 H GLN A 119 15.145 -8.212 0.256 1.00 0.00 H new ATOM 0 HA GLN A 119 16.786 -10.667 0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 119 17.779 -9.118 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 119 16.236 -8.986 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 119 16.258 -11.379 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 119 17.694 -11.638 2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 119 19.354 -12.128 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 119 19.713 -11.233 4.967 1.00 0.00 H new ATOM 633 N PHE A 120 14.789 -12.053 0.501 1.00 0.00 N ATOM 634 CA PHE A 120 13.634 -12.933 0.712 1.00 0.00 C ATOM 635 C PHE A 120 13.687 -13.619 2.085 1.00 0.00 C ATOM 636 O PHE A 120 14.741 -13.678 2.726 1.00 0.00 O ATOM 637 CB PHE A 120 13.540 -13.944 -0.443 1.00 0.00 C ATOM 638 CG PHE A 120 12.951 -13.334 -1.706 1.00 0.00 C ATOM 639 CD1 PHE A 120 13.675 -12.372 -2.439 1.00 0.00 C ATOM 640 CD2 PHE A 120 11.647 -13.676 -2.116 1.00 0.00 C ATOM 641 CE1 PHE A 120 13.096 -11.751 -3.559 1.00 0.00 C ATOM 642 CE2 PHE A 120 11.084 -13.078 -3.259 1.00 0.00 C ATOM 643 CZ PHE A 120 11.813 -12.125 -3.986 1.00 0.00 C ATOM 0 H PHE A 120 15.570 -12.517 0.038 1.00 0.00 H new ATOM 0 HA PHE A 120 12.726 -12.331 0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 120 14.534 -14.334 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 120 12.927 -14.790 -0.132 1.00 0.00 H new ATOM 0 HD1 PHE A 120 14.679 -12.111 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 120 11.078 -14.399 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 120 13.640 -10.985 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 120 10.089 -13.353 -3.577 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.387 -11.680 -4.873 1.00 0.00 H new ATOM 653 N TYR A 121 12.543 -14.142 2.538 1.00 0.00 N ATOM 654 CA TYR A 121 12.367 -14.765 3.860 1.00 0.00 C ATOM 655 C TYR A 121 13.391 -15.870 4.200 1.00 0.00 C ATOM 656 O TYR A 121 13.724 -16.068 5.371 1.00 0.00 O ATOM 657 CB TYR A 121 10.933 -15.308 3.973 1.00 0.00 C ATOM 658 CG TYR A 121 10.662 -16.569 3.164 1.00 0.00 C ATOM 659 CD1 TYR A 121 10.356 -16.490 1.789 1.00 0.00 C ATOM 660 CD2 TYR A 121 10.754 -17.832 3.786 1.00 0.00 C ATOM 661 CE1 TYR A 121 10.151 -17.663 1.037 1.00 0.00 C ATOM 662 CE2 TYR A 121 10.547 -19.007 3.038 1.00 0.00 C ATOM 663 CZ TYR A 121 10.246 -18.926 1.662 1.00 0.00 C ATOM 664 OH TYR A 121 10.051 -20.065 0.943 1.00 0.00 O ATOM 0 H TYR A 121 11.688 -14.145 1.982 1.00 0.00 H new ATOM 0 HA TYR A 121 12.549 -13.981 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.719 -15.513 5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.239 -14.531 3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.279 -15.525 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.984 -17.898 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.921 -17.597 -0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.619 -19.972 3.518 1.00 0.00 H new ATOM 0 HH TYR A 121 10.155 -20.844 1.529 1.00 0.00 H new ATOM 674 N ASP A 122 13.908 -16.579 3.192 1.00 0.00 N ATOM 675 CA ASP A 122 14.912 -17.640 3.342 1.00 0.00 C ATOM 676 C ASP A 122 16.348 -17.130 3.606 1.00 0.00 C ATOM 677 O ASP A 122 17.181 -17.881 4.123 1.00 0.00 O ATOM 678 CB ASP A 122 14.864 -18.537 2.097 1.00 0.00 C ATOM 679 CG ASP A 122 15.439 -17.850 0.853 1.00 0.00 C ATOM 680 OD1 ASP A 122 16.680 -17.864 0.678 1.00 0.00 O ATOM 681 OD2 ASP A 122 14.642 -17.295 0.061 1.00 0.00 O ATOM 0 H ASP A 122 13.633 -16.427 2.222 1.00 0.00 H new ATOM 0 HA ASP A 122 14.654 -18.205 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.422 -19.453 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 122 13.832 -18.828 1.903 1.00 0.00 H new ATOM 686 N GLY A 123 16.642 -15.864 3.275 1.00 0.00 N ATOM 687 CA GLY A 123 17.915 -15.181 3.544 1.00 0.00 C ATOM 688 C GLY A 123 18.664 -14.666 2.304 1.00 0.00 C ATOM 689 O GLY A 123 19.473 -13.744 2.438 1.00 0.00 O ATOM 0 H GLY A 123 15.972 -15.264 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.722 -14.337 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.569 -15.867 4.083 1.00 0.00 H new ATOM 693 N VAL A 124 18.417 -15.229 1.112 1.00 0.00 N ATOM 694 CA VAL A 124 19.085 -14.850 -0.156 1.00 0.00 C ATOM 695 C VAL A 124 18.898 -13.367 -0.519 1.00 0.00 C ATOM 696 O VAL A 124 17.847 -12.784 -0.240 1.00 0.00 O ATOM 697 CB VAL A 124 18.616 -15.769 -1.307 1.00 0.00 C ATOM 698 CG1 VAL A 124 17.161 -15.520 -1.721 1.00 0.00 C ATOM 699 CG2 VAL A 124 19.505 -15.658 -2.553 1.00 0.00 C ATOM 0 H VAL A 124 17.734 -15.977 0.993 1.00 0.00 H new ATOM 0 HA VAL A 124 20.155 -14.989 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 124 18.697 -16.776 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 124 16.893 -16.196 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.505 -15.698 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.049 -14.489 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 124 19.129 -16.325 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 124 19.492 -14.631 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 124 20.527 -15.939 -2.297 1.00 0.00 H new ATOM 709 N ILE A 125 19.899 -12.772 -1.182 1.00 0.00 N ATOM 710 CA ILE A 125 19.918 -11.359 -1.604 1.00 0.00 C ATOM 711 C ILE A 125 20.300 -11.253 -3.090 1.00 0.00 C ATOM 712 O ILE A 125 21.333 -11.778 -3.513 1.00 0.00 O ATOM 713 CB ILE A 125 20.882 -10.513 -0.730 1.00 0.00 C ATOM 714 CG1 ILE A 125 20.613 -10.708 0.781 1.00 0.00 C ATOM 715 CG2 ILE A 125 20.774 -9.020 -1.108 1.00 0.00 C ATOM 716 CD1 ILE A 125 21.495 -9.864 1.711 1.00 0.00 C ATOM 0 H ILE A 125 20.746 -13.274 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 125 18.915 -10.956 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 125 21.896 -10.860 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 125 19.568 -10.471 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 125 20.754 -11.760 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 125 21.455 -8.437 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 125 21.038 -8.890 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 125 19.752 -8.677 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 125 21.232 -10.070 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 125 22.543 -10.115 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 125 21.338 -8.806 1.500 1.00 0.00 H new ATOM 728 N ARG A 126 19.474 -10.538 -3.864 1.00 0.00 N ATOM 729 CA ARG A 126 19.684 -10.137 -5.275 1.00 0.00 C ATOM 730 C ARG A 126 19.101 -8.727 -5.500 1.00 0.00 C ATOM 731 O ARG A 126 18.734 -8.048 -4.540 1.00 0.00 O ATOM 732 CB ARG A 126 19.049 -11.180 -6.231 1.00 0.00 C ATOM 733 CG ARG A 126 19.713 -12.567 -6.268 1.00 0.00 C ATOM 734 CD ARG A 126 21.129 -12.525 -6.855 1.00 0.00 C ATOM 735 NE ARG A 126 21.674 -13.885 -7.033 1.00 0.00 N ATOM 736 CZ ARG A 126 22.709 -14.229 -7.780 1.00 0.00 C ATOM 737 NH1 ARG A 126 23.408 -13.356 -8.451 1.00 0.00 N ATOM 738 NH2 ARG A 126 23.067 -15.478 -7.870 1.00 0.00 N ATOM 0 H ARG A 126 18.581 -10.199 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 126 20.751 -10.104 -5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 126 18.004 -11.309 -5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 126 19.059 -10.769 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.754 -12.974 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 126 19.098 -13.245 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.112 -12.009 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.782 -11.952 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 126 21.204 -14.636 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 126 23.163 -12.367 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 126 24.200 -13.663 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 126 22.548 -16.195 -7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 126 23.866 -15.739 -8.448 1.00 0.00 H new ATOM 752 N CYS A 127 18.992 -8.280 -6.751 1.00 0.00 N ATOM 753 CA CYS A 127 18.328 -7.028 -7.129 1.00 0.00 C ATOM 754 C CYS A 127 17.275 -7.240 -8.228 1.00 0.00 C ATOM 755 O CYS A 127 17.409 -8.129 -9.073 1.00 0.00 O ATOM 756 CB CYS A 127 19.377 -5.983 -7.544 1.00 0.00 C ATOM 757 SG CYS A 127 20.408 -6.584 -8.920 1.00 0.00 S ATOM 0 H CYS A 127 19.371 -8.789 -7.550 1.00 0.00 H new ATOM 0 HA CYS A 127 17.790 -6.654 -6.258 1.00 0.00 H new ATOM 0 HB2 CYS A 127 18.877 -5.061 -7.839 1.00 0.00 H new ATOM 0 HB3 CYS A 127 20.011 -5.743 -6.690 1.00 0.00 H new ATOM 0 HG CYS A 127 21.278 -5.673 -9.241 1.00 0.00 H new ATOM 763 N LEU A 128 16.243 -6.393 -8.230 1.00 0.00 N ATOM 764 CA LEU A 128 15.110 -6.430 -9.163 1.00 0.00 C ATOM 765 C LEU A 128 14.673 -5.013 -9.579 1.00 0.00 C ATOM 766 O LEU A 128 15.008 -4.012 -8.938 1.00 0.00 O ATOM 767 CB LEU A 128 13.934 -7.191 -8.507 1.00 0.00 C ATOM 768 CG LEU A 128 14.088 -8.721 -8.402 1.00 0.00 C ATOM 769 CD1 LEU A 128 12.888 -9.299 -7.651 1.00 0.00 C ATOM 770 CD2 LEU A 128 14.149 -9.401 -9.773 1.00 0.00 C ATOM 0 H LEU A 128 16.169 -5.631 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 128 15.422 -6.950 -10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 128 13.785 -6.792 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 128 13.028 -6.976 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 128 15.025 -8.910 -7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 128 12.993 -10.381 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.842 -8.868 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 128 11.972 -9.061 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 128 14.258 -10.477 -9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 128 13.231 -9.194 -10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.002 -9.016 -10.332 1.00 0.00 H new ATOM 782 N LYS A 129 13.905 -4.939 -10.669 1.00 0.00 N ATOM 783 CA LYS A 129 13.256 -3.716 -11.166 1.00 0.00 C ATOM 784 C LYS A 129 11.870 -3.543 -10.535 1.00 0.00 C ATOM 785 O LYS A 129 11.209 -4.524 -10.192 1.00 0.00 O ATOM 786 CB LYS A 129 13.130 -3.806 -12.700 1.00 0.00 C ATOM 787 CG LYS A 129 14.502 -3.765 -13.396 1.00 0.00 C ATOM 788 CD LYS A 129 14.405 -3.930 -14.920 1.00 0.00 C ATOM 789 CE LYS A 129 13.969 -5.349 -15.314 1.00 0.00 C ATOM 790 NZ LYS A 129 13.980 -5.531 -16.788 1.00 0.00 N ATOM 0 H LYS A 129 13.709 -5.753 -11.251 1.00 0.00 H new ATOM 0 HA LYS A 129 13.862 -2.852 -10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.615 -4.729 -12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.515 -2.982 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.991 -2.818 -13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.134 -4.555 -12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.693 -3.207 -15.319 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.372 -3.708 -15.372 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.635 -6.077 -14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 129 12.968 -5.543 -14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 13.681 -6.499 -17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 13.326 -4.852 -17.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.941 -5.369 -17.151 1.00 0.00 H new ATOM 804 N ARG A 130 11.378 -2.300 -10.482 1.00 0.00 N ATOM 805 CA ARG A 130 9.997 -1.947 -10.080 1.00 0.00 C ATOM 806 C ARG A 130 8.893 -2.728 -10.813 1.00 0.00 C ATOM 807 O ARG A 130 7.831 -2.970 -10.245 1.00 0.00 O ATOM 808 CB ARG A 130 9.768 -0.426 -10.192 1.00 0.00 C ATOM 809 CG ARG A 130 9.650 0.146 -11.620 1.00 0.00 C ATOM 810 CD ARG A 130 10.973 0.201 -12.398 1.00 0.00 C ATOM 811 NE ARG A 130 10.810 0.874 -13.700 1.00 0.00 N ATOM 812 CZ ARG A 130 11.753 1.073 -14.605 1.00 0.00 C ATOM 813 NH1 ARG A 130 12.986 0.690 -14.424 1.00 0.00 N ATOM 814 NH2 ARG A 130 11.473 1.669 -15.727 1.00 0.00 N ATOM 0 H ARG A 130 11.940 -1.483 -10.723 1.00 0.00 H new ATOM 0 HA ARG A 130 9.913 -2.252 -9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 130 8.857 -0.177 -9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 130 10.590 0.081 -9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 130 8.938 -0.459 -12.182 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.236 1.153 -11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 130 11.722 0.728 -11.807 1.00 0.00 H new ATOM 0 HD3 ARG A 130 11.346 -0.811 -12.555 1.00 0.00 H new ATOM 0 HE ARG A 130 9.877 1.220 -13.925 1.00 0.00 H new ATOM 0 HH11 ARG A 130 13.252 0.218 -13.560 1.00 0.00 H new ATOM 0 HH12 ARG A 130 13.685 0.862 -15.147 1.00 0.00 H new ATOM 0 HH21 ARG A 130 10.521 1.986 -15.913 1.00 0.00 H new ATOM 0 HH22 ARG A 130 12.205 1.820 -16.421 1.00 0.00 H new ATOM 828 N MET A 131 9.158 -3.157 -12.050 1.00 0.00 N ATOM 829 CA MET A 131 8.278 -3.992 -12.881 1.00 0.00 C ATOM 830 C MET A 131 8.023 -5.402 -12.299 1.00 0.00 C ATOM 831 O MET A 131 7.107 -6.102 -12.736 1.00 0.00 O ATOM 832 CB MET A 131 8.908 -4.063 -14.284 1.00 0.00 C ATOM 833 CG MET A 131 7.919 -4.514 -15.361 1.00 0.00 C ATOM 834 SD MET A 131 8.595 -4.461 -17.043 1.00 0.00 S ATOM 835 CE MET A 131 7.093 -4.866 -17.977 1.00 0.00 C ATOM 0 H MET A 131 10.031 -2.923 -12.523 1.00 0.00 H new ATOM 0 HA MET A 131 7.289 -3.535 -12.916 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.303 -3.082 -14.549 1.00 0.00 H new ATOM 0 HB3 MET A 131 9.753 -4.752 -14.263 1.00 0.00 H new ATOM 0 HG2 MET A 131 7.596 -5.531 -15.141 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.033 -3.881 -15.315 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.320 -4.879 -19.043 1.00 0.00 H new ATOM 0 HE2 MET A 131 6.728 -5.847 -17.672 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.328 -4.116 -17.778 1.00 0.00 H new ATOM 845 N HIS A 132 8.803 -5.807 -11.289 1.00 0.00 N ATOM 846 CA HIS A 132 8.822 -7.155 -10.695 1.00 0.00 C ATOM 847 C HIS A 132 8.670 -7.149 -9.161 1.00 0.00 C ATOM 848 O HIS A 132 8.886 -8.177 -8.515 1.00 0.00 O ATOM 849 CB HIS A 132 10.109 -7.871 -11.147 1.00 0.00 C ATOM 850 CG HIS A 132 10.227 -7.988 -12.649 1.00 0.00 C ATOM 851 ND1 HIS A 132 11.097 -7.254 -13.463 1.00 0.00 N ATOM 852 CD2 HIS A 132 9.451 -8.785 -13.440 1.00 0.00 C ATOM 853 CE1 HIS A 132 10.821 -7.629 -14.725 1.00 0.00 C ATOM 854 NE2 HIS A 132 9.840 -8.547 -14.739 1.00 0.00 N ATOM 0 H HIS A 132 9.469 -5.177 -10.841 1.00 0.00 H new ATOM 0 HA HIS A 132 7.950 -7.702 -11.054 1.00 0.00 H new ATOM 0 HB2 HIS A 132 10.973 -7.330 -10.762 1.00 0.00 H new ATOM 0 HB3 HIS A 132 10.136 -8.868 -10.708 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.682 -9.469 -13.111 1.00 0.00 H new ATOM 0 HE1 HIS A 132 11.318 -7.246 -15.604 1.00 0.00 H new ATOM 0 HE2 HIS A 132 9.450 -8.992 -15.570 1.00 0.00 H new ATOM 862 N ILE A 133 8.271 -6.010 -8.581 1.00 0.00 N ATOM 863 CA ILE A 133 8.090 -5.779 -7.135 1.00 0.00 C ATOM 864 C ILE A 133 6.721 -5.114 -6.897 1.00 0.00 C ATOM 865 O ILE A 133 6.282 -4.269 -7.683 1.00 0.00 O ATOM 866 CB ILE A 133 9.236 -4.897 -6.565 1.00 0.00 C ATOM 867 CG1 ILE A 133 10.637 -5.490 -6.853 1.00 0.00 C ATOM 868 CG2 ILE A 133 9.065 -4.683 -5.045 1.00 0.00 C ATOM 869 CD1 ILE A 133 11.788 -4.536 -6.509 1.00 0.00 C ATOM 0 H ILE A 133 8.054 -5.180 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 133 8.123 -6.736 -6.614 1.00 0.00 H new ATOM 0 HB ILE A 133 9.169 -3.936 -7.076 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.757 -6.411 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 133 10.700 -5.757 -7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.880 -4.063 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 133 8.114 -4.187 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 133 9.081 -5.648 -4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 133 12.739 -5.017 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 133 11.693 -3.624 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 133 11.751 -4.288 -5.448 1.00 0.00 H new ATOM 881 N LYS A 134 6.055 -5.475 -5.796 1.00 0.00 N ATOM 882 CA LYS A 134 4.750 -4.961 -5.351 1.00 0.00 C ATOM 883 C LYS A 134 4.763 -4.697 -3.842 1.00 0.00 C ATOM 884 O LYS A 134 5.446 -5.386 -3.081 1.00 0.00 O ATOM 885 CB LYS A 134 3.641 -5.979 -5.686 1.00 0.00 C ATOM 886 CG LYS A 134 3.501 -6.270 -7.191 1.00 0.00 C ATOM 887 CD LYS A 134 2.358 -7.247 -7.507 1.00 0.00 C ATOM 888 CE LYS A 134 2.634 -8.651 -6.953 1.00 0.00 C ATOM 889 NZ LYS A 134 1.581 -9.615 -7.361 1.00 0.00 N ATOM 0 H LYS A 134 6.430 -6.173 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 134 4.553 -4.024 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.847 -6.912 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.690 -5.604 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.330 -5.334 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.438 -6.682 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.428 -6.866 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.217 -7.304 -8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 134 3.604 -8.999 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 134 2.689 -8.610 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 2.018 -10.532 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 0.902 -9.737 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 1.085 -9.253 -8.200 1.00 0.00 H new ATOM 903 N ALA A 135 3.977 -3.719 -3.400 1.00 0.00 N ATOM 904 CA ALA A 135 3.771 -3.434 -1.981 1.00 0.00 C ATOM 905 C ALA A 135 3.056 -4.605 -1.278 1.00 0.00 C ATOM 906 O ALA A 135 2.260 -5.323 -1.892 1.00 0.00 O ATOM 907 CB ALA A 135 2.977 -2.127 -1.856 1.00 0.00 C ATOM 0 H ALA A 135 3.460 -3.096 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 135 4.734 -3.316 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.814 -1.899 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.537 -1.315 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.015 -2.237 -2.356 1.00 0.00 H new ATOM 913 N MET A 136 3.329 -4.792 0.017 1.00 0.00 N ATOM 914 CA MET A 136 2.718 -5.854 0.829 1.00 0.00 C ATOM 915 C MET A 136 1.185 -5.652 0.937 1.00 0.00 C ATOM 916 O MET A 136 0.757 -4.597 1.421 1.00 0.00 O ATOM 917 CB MET A 136 3.385 -5.883 2.215 1.00 0.00 C ATOM 918 CG MET A 136 3.311 -7.269 2.862 1.00 0.00 C ATOM 919 SD MET A 136 4.354 -8.502 2.034 1.00 0.00 S ATOM 920 CE MET A 136 4.175 -9.895 3.177 1.00 0.00 C ATOM 0 H MET A 136 3.984 -4.208 0.537 1.00 0.00 H new ATOM 0 HA MET A 136 2.880 -6.818 0.346 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.429 -5.583 2.121 1.00 0.00 H new ATOM 0 HB3 MET A 136 2.901 -5.154 2.865 1.00 0.00 H new ATOM 0 HG2 MET A 136 3.611 -7.191 3.907 1.00 0.00 H new ATOM 0 HG3 MET A 136 2.277 -7.612 2.852 1.00 0.00 H new ATOM 0 HE1 MET A 136 5.017 -10.576 3.056 1.00 0.00 H new ATOM 0 HE2 MET A 136 4.153 -9.524 4.202 1.00 0.00 H new ATOM 0 HE3 MET A 136 3.247 -10.425 2.963 1.00 0.00 H new