USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 180:sc= 0.198 USER MOD Set 1.2: A 119 LYS NZ :NH3+ -170:sc= 0.465 (180deg=0.361) USER MOD Set 2.1: A 98 THR OG1 : rot 130:sc= 1.08 USER MOD Set 2.2: A 125 THR OG1 : rot 130:sc= 0.912 USER MOD Single : A 52 THR OG1 : rot 29:sc= 0.116 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -25:sc= 0.179 USER MOD Single : A 91 TYR OH : rot 167:sc= 0.873 USER MOD Single : A 92 LYS NZ :NH3+ 169:sc= 0.406 (180deg=0.193) USER MOD Single : A 100 LYS NZ :NH3+ -124:sc= -0.0113 (180deg=-0.12) USER MOD Single : A 122 THR OG1 : rot 93:sc= -1.06 USER MOD Single : A 124 MET CE :methyl -158:sc= -0.142 (180deg=-0.629) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -10.257 8.163 9.648 1.00 0.00 N ATOM 147 CA THR A 52 -9.029 7.625 9.060 1.00 0.00 C ATOM 148 C THR A 52 -9.337 6.189 8.601 1.00 0.00 C ATOM 149 O THR A 52 -9.806 5.365 9.403 1.00 0.00 O ATOM 150 CB THR A 52 -7.847 7.650 10.095 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.699 8.979 10.639 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.511 7.215 9.460 1.00 0.00 C ATOM 0 HA THR A 52 -8.711 8.235 8.215 1.00 0.00 H new ATOM 0 HB THR A 52 -8.094 6.941 10.885 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.567 9.434 10.632 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.723 7.248 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.604 6.199 9.076 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.260 7.890 8.642 1.00 0.00 H new ATOM 160 N VAL A 53 -9.077 5.894 7.322 1.00 0.00 N ATOM 161 CA VAL A 53 -9.454 4.612 6.698 1.00 0.00 C ATOM 162 C VAL A 53 -8.238 3.681 6.732 1.00 0.00 C ATOM 163 O VAL A 53 -7.122 4.122 6.486 1.00 0.00 O ATOM 164 CB VAL A 53 -9.945 4.813 5.211 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.419 3.480 4.569 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.045 5.895 5.124 1.00 0.00 C ATOM 0 H VAL A 53 -8.600 6.534 6.687 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.283 4.176 7.255 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.086 5.160 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.748 3.665 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.595 2.767 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.247 3.072 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.362 6.009 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.898 5.596 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.652 6.844 5.490 1.00 0.00 H new ATOM 176 N ARG A 54 -8.469 2.403 7.054 1.00 0.00 N ATOM 177 CA ARG A 54 -7.415 1.383 7.167 1.00 0.00 C ATOM 178 C ARG A 54 -7.885 0.081 6.504 1.00 0.00 C ATOM 179 O ARG A 54 -8.880 -0.509 6.925 1.00 0.00 O ATOM 180 CB ARG A 54 -7.054 1.154 8.660 1.00 0.00 C ATOM 181 CG ARG A 54 -5.946 0.108 8.907 1.00 0.00 C ATOM 182 CD ARG A 54 -5.530 0.018 10.388 1.00 0.00 C ATOM 183 NE ARG A 54 -6.664 -0.303 11.279 1.00 0.00 N ATOM 184 CZ ARG A 54 -7.233 0.542 12.160 1.00 0.00 C ATOM 185 NH1 ARG A 54 -6.839 1.805 12.242 1.00 0.00 N ATOM 186 NH2 ARG A 54 -8.195 0.111 12.954 1.00 0.00 N ATOM 0 H ARG A 54 -9.403 2.042 7.246 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.517 1.727 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.740 2.104 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.953 0.843 9.193 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.294 -0.869 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.074 0.360 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.759 -0.744 10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.088 0.966 10.696 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.049 -1.246 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.096 2.148 11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.279 2.434 12.914 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.505 -0.859 12.899 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.628 0.748 13.622 1.00 0.00 H new ATOM 200 N LEU A 55 -7.159 -0.359 5.471 1.00 0.00 N ATOM 201 CA LEU A 55 -7.516 -1.544 4.668 1.00 0.00 C ATOM 202 C LEU A 55 -6.363 -2.567 4.785 1.00 0.00 C ATOM 203 O LEU A 55 -5.190 -2.189 4.909 1.00 0.00 O ATOM 204 CB LEU A 55 -7.793 -1.096 3.194 1.00 0.00 C ATOM 205 CG LEU A 55 -8.888 -1.877 2.386 1.00 0.00 C ATOM 206 CD1 LEU A 55 -9.286 -1.098 1.111 1.00 0.00 C ATOM 207 CD2 LEU A 55 -8.448 -3.316 2.028 1.00 0.00 C ATOM 0 H LEU A 55 -6.300 0.097 5.163 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.426 -2.024 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.076 -0.044 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.856 -1.165 2.641 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.759 -1.963 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.046 -1.657 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.684 -0.122 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.409 -0.965 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.242 -3.811 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.545 -3.279 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.246 -3.873 2.943 1.00 0.00 H new ATOM 219 N PHE A 56 -6.712 -3.862 4.778 1.00 0.00 N ATOM 220 CA PHE A 56 -5.761 -4.968 4.994 1.00 0.00 C ATOM 221 C PHE A 56 -5.701 -5.845 3.728 1.00 0.00 C ATOM 222 O PHE A 56 -6.733 -6.069 3.073 1.00 0.00 O ATOM 223 CB PHE A 56 -6.208 -5.816 6.221 1.00 0.00 C ATOM 224 CG PHE A 56 -6.288 -5.048 7.550 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.344 -4.167 7.811 1.00 0.00 C ATOM 226 CD2 PHE A 56 -5.302 -5.189 8.528 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.421 -3.477 9.004 1.00 0.00 C ATOM 228 CE2 PHE A 56 -5.383 -4.496 9.723 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.435 -3.633 9.956 1.00 0.00 C ATOM 0 H PHE A 56 -7.670 -4.176 4.621 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.769 -4.564 5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.187 -6.246 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.513 -6.647 6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.112 -4.025 7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.465 -5.848 8.350 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.253 -2.815 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.621 -4.631 10.476 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.486 -3.081 10.883 1.00 0.00 H new ATOM 239 N GLY A 57 -4.495 -6.337 3.396 1.00 0.00 N ATOM 240 CA GLY A 57 -4.303 -7.213 2.242 1.00 0.00 C ATOM 241 C GLY A 57 -2.841 -7.573 2.010 1.00 0.00 C ATOM 242 O GLY A 57 -1.999 -7.366 2.884 1.00 0.00 O ATOM 0 H GLY A 57 -3.640 -6.138 3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.879 -8.127 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.698 -6.724 1.351 1.00 0.00 H new ATOM 246 N THR A 58 -2.546 -8.116 0.821 1.00 0.00 N ATOM 247 CA THR A 58 -1.187 -8.533 0.424 1.00 0.00 C ATOM 248 C THR A 58 -0.745 -7.736 -0.819 1.00 0.00 C ATOM 249 O THR A 58 -1.578 -7.366 -1.641 1.00 0.00 O ATOM 250 CB THR A 58 -1.170 -10.070 0.128 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.659 -10.777 1.278 1.00 0.00 O ATOM 252 CG2 THR A 58 0.229 -10.604 -0.223 1.00 0.00 C ATOM 0 H THR A 58 -3.247 -8.281 0.099 1.00 0.00 H new ATOM 0 HA THR A 58 -0.490 -8.329 1.237 1.00 0.00 H new ATOM 0 HB THR A 58 -1.807 -10.232 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.652 -11.740 1.097 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.172 -11.675 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.601 -10.094 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.908 -10.422 0.610 1.00 0.00 H new ATOM 260 N VAL A 59 0.559 -7.450 -0.926 1.00 0.00 N ATOM 261 CA VAL A 59 1.136 -6.739 -2.080 1.00 0.00 C ATOM 262 C VAL A 59 1.195 -7.669 -3.304 1.00 0.00 C ATOM 263 O VAL A 59 1.747 -8.768 -3.206 1.00 0.00 O ATOM 264 CB VAL A 59 2.590 -6.232 -1.764 1.00 0.00 C ATOM 265 CG1 VAL A 59 3.195 -5.442 -2.950 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.607 -5.401 -0.472 1.00 0.00 C ATOM 0 H VAL A 59 1.246 -7.704 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 59 0.496 -5.883 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 59 3.219 -7.109 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.200 -5.109 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.241 -6.084 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.571 -4.575 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.623 -5.060 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.950 -4.538 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.260 -6.014 0.360 1.00 0.00 H new ATOM 276 N ALA A 60 0.619 -7.224 -4.432 1.00 0.00 N ATOM 277 CA ALA A 60 0.762 -7.900 -5.737 1.00 0.00 C ATOM 278 C ALA A 60 1.910 -7.268 -6.534 1.00 0.00 C ATOM 279 O ALA A 60 2.261 -6.100 -6.318 1.00 0.00 O ATOM 280 CB ALA A 60 -0.548 -7.821 -6.545 1.00 0.00 C ATOM 0 H ALA A 60 0.040 -6.385 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 60 0.988 -8.951 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.416 -8.326 -7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.350 -8.305 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.806 -6.776 -6.719 1.00 0.00 H new ATOM 286 N ALA A 61 2.470 -8.047 -7.472 1.00 0.00 N ATOM 287 CA ALA A 61 3.504 -7.569 -8.410 1.00 0.00 C ATOM 288 C ALA A 61 2.866 -6.831 -9.607 1.00 0.00 C ATOM 289 O ALA A 61 3.568 -6.187 -10.401 1.00 0.00 O ATOM 290 CB ALA A 61 4.358 -8.755 -8.884 1.00 0.00 C ATOM 0 H ALA A 61 2.220 -9.027 -7.604 1.00 0.00 H new ATOM 0 HA ALA A 61 4.147 -6.857 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.121 -8.400 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.838 -9.224 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.722 -9.483 -9.387 1.00 0.00 H new ATOM 296 N ASP A 62 1.522 -6.927 -9.712 1.00 0.00 N ATOM 297 CA ASP A 62 0.740 -6.329 -10.807 1.00 0.00 C ATOM 298 C ASP A 62 0.700 -4.808 -10.634 1.00 0.00 C ATOM 299 O ASP A 62 0.123 -4.308 -9.662 1.00 0.00 O ATOM 300 CB ASP A 62 -0.697 -6.916 -10.814 1.00 0.00 C ATOM 301 CG ASP A 62 -1.544 -6.476 -12.028 1.00 0.00 C ATOM 302 OD1 ASP A 62 -1.436 -7.113 -13.097 1.00 0.00 O ATOM 303 OD2 ASP A 62 -2.328 -5.503 -11.923 1.00 0.00 O ATOM 0 H ASP A 62 0.949 -7.426 -9.032 1.00 0.00 H new ATOM 0 HA ASP A 62 1.211 -6.563 -11.762 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.635 -8.004 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.207 -6.615 -9.899 1.00 0.00 H new ATOM 308 N GLY A 63 1.385 -4.093 -11.543 1.00 0.00 N ATOM 309 CA GLY A 63 1.447 -2.633 -11.511 1.00 0.00 C ATOM 310 C GLY A 63 2.263 -2.087 -10.339 1.00 0.00 C ATOM 311 O GLY A 63 2.162 -0.891 -10.014 1.00 0.00 O ATOM 0 H GLY A 63 1.906 -4.513 -12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.880 -2.274 -12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.434 -2.235 -11.456 1.00 0.00 H new ATOM 315 N LEU A 64 3.081 -2.970 -9.707 1.00 0.00 N ATOM 316 CA LEU A 64 4.009 -2.575 -8.639 1.00 0.00 C ATOM 317 C LEU A 64 5.135 -1.763 -9.303 1.00 0.00 C ATOM 318 O LEU A 64 5.987 -2.315 -10.010 1.00 0.00 O ATOM 319 CB LEU A 64 4.555 -3.819 -7.861 1.00 0.00 C ATOM 320 CG LEU A 64 5.118 -3.572 -6.406 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.447 -4.906 -5.704 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.352 -2.634 -6.377 1.00 0.00 C ATOM 0 H LEU A 64 3.108 -3.965 -9.929 1.00 0.00 H new ATOM 0 HA LEU A 64 3.501 -1.968 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.752 -4.553 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.348 -4.269 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 64 4.322 -3.065 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.833 -4.706 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.543 -5.511 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.198 -5.445 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.688 -2.507 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.155 -3.071 -6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.081 -1.664 -6.793 1.00 0.00 H new ATOM 334 N THR A 65 5.083 -0.452 -9.094 1.00 0.00 N ATOM 335 CA THR A 65 5.945 0.524 -9.747 1.00 0.00 C ATOM 336 C THR A 65 6.269 1.636 -8.734 1.00 0.00 C ATOM 337 O THR A 65 5.383 2.080 -8.005 1.00 0.00 O ATOM 338 CB THR A 65 5.217 1.117 -11.006 1.00 0.00 C ATOM 339 OG1 THR A 65 4.704 0.048 -11.823 1.00 0.00 O ATOM 340 CG2 THR A 65 6.140 2.002 -11.859 1.00 0.00 C ATOM 0 H THR A 65 4.420 -0.027 -8.446 1.00 0.00 H new ATOM 0 HA THR A 65 6.870 0.053 -10.081 1.00 0.00 H new ATOM 0 HB THR A 65 4.404 1.742 -10.638 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.250 0.424 -12.606 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.586 2.386 -12.716 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.502 2.836 -11.258 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.987 1.413 -12.209 1.00 0.00 H new ATOM 348 N MET A 66 7.533 2.078 -8.696 1.00 0.00 N ATOM 349 CA MET A 66 7.983 3.141 -7.775 1.00 0.00 C ATOM 350 C MET A 66 7.668 4.496 -8.420 1.00 0.00 C ATOM 351 O MET A 66 7.734 4.621 -9.650 1.00 0.00 O ATOM 352 CB MET A 66 9.496 2.987 -7.454 1.00 0.00 C ATOM 353 CG MET A 66 9.831 1.671 -6.741 1.00 0.00 C ATOM 354 SD MET A 66 8.877 1.465 -5.221 1.00 0.00 S ATOM 355 CE MET A 66 9.329 -0.185 -4.694 1.00 0.00 C ATOM 0 H MET A 66 8.272 1.714 -9.297 1.00 0.00 H new ATOM 0 HA MET A 66 7.457 3.067 -6.823 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.065 3.045 -8.382 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.815 3.822 -6.831 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.631 0.835 -7.411 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.895 1.646 -6.508 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.806 -0.427 -3.769 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.051 -0.902 -5.466 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.405 -0.231 -4.526 1.00 0.00 H new ATOM 365 N LEU A 67 7.291 5.493 -7.598 1.00 0.00 N ATOM 366 CA LEU A 67 6.819 6.798 -8.100 1.00 0.00 C ATOM 367 C LEU A 67 7.964 7.568 -8.788 1.00 0.00 C ATOM 368 O LEU A 67 9.087 7.619 -8.265 1.00 0.00 O ATOM 369 CB LEU A 67 6.190 7.627 -6.949 1.00 0.00 C ATOM 370 CG LEU A 67 5.030 6.928 -6.160 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.399 7.880 -5.120 1.00 0.00 C ATOM 372 CD2 LEU A 67 3.962 6.323 -7.107 1.00 0.00 C ATOM 0 H LEU A 67 7.304 5.420 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 67 6.046 6.622 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.978 7.889 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.811 8.561 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 67 5.473 6.095 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.598 7.362 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.160 8.195 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.993 8.755 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.178 5.849 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.528 7.114 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.428 5.580 -7.754 1.00 0.00 H new ATOM 384 N ASP A 68 7.651 8.151 -9.962 1.00 0.00 N ATOM 385 CA ASP A 68 8.639 8.784 -10.858 1.00 0.00 C ATOM 386 C ASP A 68 9.266 10.027 -10.199 1.00 0.00 C ATOM 387 O ASP A 68 8.576 11.029 -9.987 1.00 0.00 O ATOM 388 CB ASP A 68 7.954 9.147 -12.212 1.00 0.00 C ATOM 389 CG ASP A 68 8.835 9.997 -13.156 1.00 0.00 C ATOM 390 OD1 ASP A 68 9.741 9.440 -13.819 1.00 0.00 O ATOM 391 OD2 ASP A 68 8.626 11.231 -13.228 1.00 0.00 O ATOM 0 H ASP A 68 6.696 8.196 -10.318 1.00 0.00 H new ATOM 0 HA ASP A 68 9.448 8.079 -11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.675 8.226 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.031 9.690 -12.006 1.00 0.00 H new ATOM 396 N GLY A 69 10.561 9.918 -9.834 1.00 0.00 N ATOM 397 CA GLY A 69 11.310 11.020 -9.217 1.00 0.00 C ATOM 398 C GLY A 69 10.764 11.451 -7.856 1.00 0.00 C ATOM 399 O GLY A 69 10.973 12.594 -7.428 1.00 0.00 O ATOM 0 H GLY A 69 11.109 9.067 -9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.351 10.719 -9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.298 11.877 -9.891 1.00 0.00 H new ATOM 403 N ALA A 70 10.075 10.528 -7.173 1.00 0.00 N ATOM 404 CA ALA A 70 9.397 10.800 -5.895 1.00 0.00 C ATOM 405 C ALA A 70 9.511 9.571 -4.976 1.00 0.00 C ATOM 406 O ALA A 70 9.244 8.451 -5.439 1.00 0.00 O ATOM 407 CB ALA A 70 7.918 11.160 -6.153 1.00 0.00 C ATOM 0 H ALA A 70 9.970 9.565 -7.492 1.00 0.00 H new ATOM 0 HA ALA A 70 9.874 11.646 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.421 11.360 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.864 12.047 -6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.423 10.328 -6.653 1.00 0.00 H new ATOM 413 N PRO A 71 9.948 9.736 -3.677 1.00 0.00 N ATOM 414 CA PRO A 71 9.910 8.647 -2.681 1.00 0.00 C ATOM 415 C PRO A 71 8.468 8.155 -2.476 1.00 0.00 C ATOM 416 O PRO A 71 7.594 8.942 -2.105 1.00 0.00 O ATOM 417 CB PRO A 71 10.483 9.291 -1.387 1.00 0.00 C ATOM 418 CG PRO A 71 11.271 10.468 -1.872 1.00 0.00 C ATOM 419 CD PRO A 71 10.531 10.974 -3.094 1.00 0.00 C ATOM 0 HA PRO A 71 10.482 7.771 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.686 9.599 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.113 8.590 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.336 11.240 -1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.292 10.181 -2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.759 11.695 -2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.203 11.471 -3.794 1.00 0.00 H new ATOM 427 N GLY A 72 8.226 6.887 -2.811 1.00 0.00 N ATOM 428 CA GLY A 72 6.916 6.271 -2.651 1.00 0.00 C ATOM 429 C GLY A 72 6.727 5.091 -3.584 1.00 0.00 C ATOM 430 O GLY A 72 7.587 4.814 -4.430 1.00 0.00 O ATOM 0 H GLY A 72 8.933 6.263 -3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.794 5.941 -1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.141 7.013 -2.842 1.00 0.00 H new ATOM 434 N VAL A 73 5.583 4.412 -3.455 1.00 0.00 N ATOM 435 CA VAL A 73 5.284 3.202 -4.232 1.00 0.00 C ATOM 436 C VAL A 73 3.789 3.145 -4.585 1.00 0.00 C ATOM 437 O VAL A 73 2.929 3.584 -3.818 1.00 0.00 O ATOM 438 CB VAL A 73 5.715 1.884 -3.476 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.929 1.683 -2.151 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.602 0.648 -4.404 1.00 0.00 C ATOM 0 H VAL A 73 4.839 4.683 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 73 5.869 3.258 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 73 6.763 1.998 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.260 0.764 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.112 2.528 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.863 1.615 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.905 -0.246 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.570 0.537 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.251 0.782 -5.269 1.00 0.00 H new ATOM 450 N ARG A 74 3.522 2.636 -5.784 1.00 0.00 N ATOM 451 CA ARG A 74 2.193 2.248 -6.250 1.00 0.00 C ATOM 452 C ARG A 74 2.188 0.726 -6.399 1.00 0.00 C ATOM 453 O ARG A 74 3.124 0.167 -6.976 1.00 0.00 O ATOM 454 CB ARG A 74 1.898 2.921 -7.612 1.00 0.00 C ATOM 455 CG ARG A 74 0.526 2.570 -8.223 1.00 0.00 C ATOM 456 CD ARG A 74 0.381 3.113 -9.651 1.00 0.00 C ATOM 457 NE ARG A 74 0.608 4.572 -9.719 1.00 0.00 N ATOM 458 CZ ARG A 74 1.183 5.221 -10.745 1.00 0.00 C ATOM 459 NH1 ARG A 74 1.623 4.564 -11.808 1.00 0.00 N ATOM 460 NH2 ARG A 74 1.332 6.530 -10.694 1.00 0.00 N ATOM 0 H ARG A 74 4.249 2.477 -6.482 1.00 0.00 H new ATOM 0 HA ARG A 74 1.425 2.564 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.959 4.002 -7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.678 2.637 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.398 1.488 -8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.266 2.980 -7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.091 2.606 -10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.617 2.884 -10.025 1.00 0.00 H new ATOM 0 HE ARG A 74 0.303 5.131 -8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.528 3.550 -11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.057 5.073 -12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.011 7.048 -9.876 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.768 7.024 -11.472 1.00 0.00 H new ATOM 474 N PHE A 75 1.161 0.061 -5.870 1.00 0.00 N ATOM 475 CA PHE A 75 1.013 -1.399 -5.982 1.00 0.00 C ATOM 476 C PHE A 75 -0.458 -1.787 -5.888 1.00 0.00 C ATOM 477 O PHE A 75 -1.289 -1.005 -5.412 1.00 0.00 O ATOM 478 CB PHE A 75 1.855 -2.135 -4.900 1.00 0.00 C ATOM 479 CG PHE A 75 1.467 -1.843 -3.441 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.934 -0.699 -2.789 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.660 -2.728 -2.716 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.602 -0.450 -1.469 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.334 -2.476 -1.399 1.00 0.00 C ATOM 484 CZ PHE A 75 0.809 -1.343 -0.773 1.00 0.00 C ATOM 0 H PHE A 75 0.408 0.513 -5.352 1.00 0.00 H new ATOM 0 HA PHE A 75 1.391 -1.708 -6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.773 -3.208 -5.071 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.903 -1.869 -5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.562 -0.000 -3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.287 -3.621 -3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.963 0.444 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.294 -3.168 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.561 -1.153 0.261 1.00 0.00 H new ATOM 494 N ARG A 76 -0.771 -3.008 -6.334 1.00 0.00 N ATOM 495 CA ARG A 76 -2.136 -3.533 -6.316 1.00 0.00 C ATOM 496 C ARG A 76 -2.318 -4.377 -5.047 1.00 0.00 C ATOM 497 O ARG A 76 -1.682 -5.420 -4.895 1.00 0.00 O ATOM 498 CB ARG A 76 -2.405 -4.383 -7.586 1.00 0.00 C ATOM 499 CG ARG A 76 -3.899 -4.526 -7.940 1.00 0.00 C ATOM 500 CD ARG A 76 -4.155 -5.557 -9.047 1.00 0.00 C ATOM 501 NE ARG A 76 -3.894 -6.927 -8.580 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.910 -8.020 -9.343 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.090 -7.941 -10.658 1.00 0.00 N ATOM 504 NH2 ARG A 76 -3.722 -9.195 -8.782 1.00 0.00 N ATOM 0 H ARG A 76 -0.084 -3.658 -6.717 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.851 -2.710 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.884 -3.931 -8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.979 -5.376 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.453 -4.815 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.287 -3.557 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.188 -5.478 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.519 -5.337 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.683 -7.051 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.219 -7.032 -11.101 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.099 -8.790 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.567 -9.261 -7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.732 -10.040 -9.353 1.00 0.00 H new ATOM 518 N LEU A 77 -3.133 -3.886 -4.115 1.00 0.00 N ATOM 519 CA LEU A 77 -3.448 -4.597 -2.877 1.00 0.00 C ATOM 520 C LEU A 77 -4.501 -5.676 -3.148 1.00 0.00 C ATOM 521 O LEU A 77 -5.603 -5.375 -3.612 1.00 0.00 O ATOM 522 CB LEU A 77 -3.980 -3.633 -1.785 1.00 0.00 C ATOM 523 CG LEU A 77 -4.087 -4.248 -0.356 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.685 -4.493 0.233 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.949 -3.381 0.587 1.00 0.00 C ATOM 0 H LEU A 77 -3.595 -2.980 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.526 -5.053 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.326 -2.762 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.965 -3.277 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.594 -5.209 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.779 -4.922 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.136 -5.183 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.146 -3.548 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.995 -3.849 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.505 -2.390 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.956 -3.292 0.180 1.00 0.00 H new ATOM 537 N GLU A 78 -4.135 -6.919 -2.862 1.00 0.00 N ATOM 538 CA GLU A 78 -5.054 -8.056 -2.871 1.00 0.00 C ATOM 539 C GLU A 78 -5.953 -7.940 -1.634 1.00 0.00 C ATOM 540 O GLU A 78 -5.534 -8.295 -0.527 1.00 0.00 O ATOM 541 CB GLU A 78 -4.248 -9.385 -2.873 1.00 0.00 C ATOM 542 CG GLU A 78 -3.114 -9.440 -3.917 1.00 0.00 C ATOM 543 CD GLU A 78 -3.608 -9.406 -5.378 1.00 0.00 C ATOM 544 OE1 GLU A 78 -3.876 -8.307 -5.913 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.713 -10.479 -6.007 1.00 0.00 O ATOM 0 H GLU A 78 -3.179 -7.172 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.674 -8.054 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.821 -9.538 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.934 -10.212 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.440 -8.599 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.533 -10.349 -3.761 1.00 0.00 H new ATOM 552 N ASP A 79 -7.136 -7.345 -1.839 1.00 0.00 N ATOM 553 CA ASP A 79 -8.113 -7.044 -0.763 1.00 0.00 C ATOM 554 C ASP A 79 -8.551 -8.316 -0.004 1.00 0.00 C ATOM 555 O ASP A 79 -8.840 -9.349 -0.615 1.00 0.00 O ATOM 556 CB ASP A 79 -9.346 -6.307 -1.359 1.00 0.00 C ATOM 557 CG ASP A 79 -10.559 -6.219 -0.412 1.00 0.00 C ATOM 558 OD1 ASP A 79 -10.404 -5.742 0.734 1.00 0.00 O ATOM 559 OD2 ASP A 79 -11.664 -6.658 -0.798 1.00 0.00 O ATOM 0 H ASP A 79 -7.453 -7.053 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.622 -6.395 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.048 -5.297 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.651 -6.817 -2.273 1.00 0.00 H new ATOM 659 N THR A 86 -9.454 -5.384 -6.074 1.00 0.00 N ATOM 660 CA THR A 86 -8.041 -5.141 -5.762 1.00 0.00 C ATOM 661 C THR A 86 -7.808 -3.612 -5.755 1.00 0.00 C ATOM 662 O THR A 86 -8.199 -2.909 -6.700 1.00 0.00 O ATOM 663 CB THR A 86 -7.102 -5.859 -6.785 1.00 0.00 C ATOM 664 OG1 THR A 86 -7.534 -5.577 -8.123 1.00 0.00 O ATOM 665 CG2 THR A 86 -7.067 -7.387 -6.573 1.00 0.00 C ATOM 0 HA THR A 86 -7.801 -5.554 -4.782 1.00 0.00 H new ATOM 0 HB THR A 86 -6.094 -5.476 -6.623 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.491 -5.364 -8.120 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.402 -7.841 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.704 -7.607 -5.569 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.071 -7.794 -6.693 1.00 0.00 H new ATOM 673 N VAL A 87 -7.198 -3.107 -4.669 1.00 0.00 N ATOM 674 CA VAL A 87 -7.116 -1.658 -4.370 1.00 0.00 C ATOM 675 C VAL A 87 -5.724 -1.113 -4.711 1.00 0.00 C ATOM 676 O VAL A 87 -4.734 -1.572 -4.157 1.00 0.00 O ATOM 677 CB VAL A 87 -7.413 -1.389 -2.842 1.00 0.00 C ATOM 678 CG1 VAL A 87 -7.471 0.132 -2.516 1.00 0.00 C ATOM 679 CG2 VAL A 87 -8.703 -2.118 -2.399 1.00 0.00 C ATOM 0 H VAL A 87 -6.744 -3.692 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.863 -1.150 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.581 -1.797 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.678 0.269 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.515 0.594 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.261 0.600 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.889 -1.919 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.545 -1.758 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.585 -3.191 -2.551 1.00 0.00 H new ATOM 689 N TRP A 88 -5.654 -0.102 -5.583 1.00 0.00 N ATOM 690 CA TRP A 88 -4.380 0.516 -5.970 1.00 0.00 C ATOM 691 C TRP A 88 -3.904 1.455 -4.861 1.00 0.00 C ATOM 692 O TRP A 88 -4.480 2.503 -4.652 1.00 0.00 O ATOM 693 CB TRP A 88 -4.525 1.268 -7.313 1.00 0.00 C ATOM 694 CG TRP A 88 -4.684 0.338 -8.487 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.839 0.002 -9.147 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.637 -0.419 -9.110 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.557 -0.887 -10.157 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.213 -1.162 -10.150 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.261 -0.522 -8.890 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.465 -2.005 -10.964 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.518 -1.359 -9.693 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.123 -2.089 -10.727 1.00 0.00 C ATOM 0 H TRP A 88 -6.470 0.308 -6.037 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.632 -0.265 -6.108 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.388 1.932 -7.261 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.648 1.897 -7.469 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.822 0.379 -8.909 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.238 -1.279 -10.807 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.787 0.046 -8.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.929 -2.574 -11.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.456 -1.455 -9.524 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.515 -2.730 -11.348 1.00 0.00 H new ATOM 713 N VAL A 89 -2.877 1.050 -4.119 1.00 0.00 N ATOM 714 CA VAL A 89 -2.365 1.838 -2.999 1.00 0.00 C ATOM 715 C VAL A 89 -1.299 2.812 -3.503 1.00 0.00 C ATOM 716 O VAL A 89 -0.212 2.394 -3.927 1.00 0.00 O ATOM 717 CB VAL A 89 -1.769 0.936 -1.877 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.376 1.774 -0.633 1.00 0.00 C ATOM 719 CG2 VAL A 89 -2.747 -0.203 -1.513 1.00 0.00 C ATOM 0 H VAL A 89 -2.379 0.174 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.201 2.389 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.856 0.478 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.963 1.117 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.629 2.516 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.259 2.279 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.311 -0.820 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.686 0.223 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.935 -0.816 -2.394 1.00 0.00 H new ATOM 729 N LEU A 90 -1.659 4.097 -3.490 1.00 0.00 N ATOM 730 CA LEU A 90 -0.755 5.194 -3.796 1.00 0.00 C ATOM 731 C LEU A 90 -0.146 5.700 -2.474 1.00 0.00 C ATOM 732 O LEU A 90 -0.784 6.460 -1.727 1.00 0.00 O ATOM 733 CB LEU A 90 -1.515 6.327 -4.542 1.00 0.00 C ATOM 734 CG LEU A 90 -0.647 7.537 -4.989 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.528 7.094 -5.896 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.513 8.609 -5.677 1.00 0.00 C ATOM 0 H LEU A 90 -2.605 4.404 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 90 0.045 4.856 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.993 5.900 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.311 6.694 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.212 7.980 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.112 7.967 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.165 6.397 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.135 6.606 -6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.883 9.445 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.994 8.179 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.275 8.962 -4.982 1.00 0.00 H new ATOM 748 N TYR A 91 1.064 5.208 -2.182 1.00 0.00 N ATOM 749 CA TYR A 91 1.830 5.559 -0.976 1.00 0.00 C ATOM 750 C TYR A 91 2.931 6.563 -1.356 1.00 0.00 C ATOM 751 O TYR A 91 3.697 6.311 -2.282 1.00 0.00 O ATOM 752 CB TYR A 91 2.460 4.288 -0.334 1.00 0.00 C ATOM 753 CG TYR A 91 3.336 4.588 0.895 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.759 4.974 2.101 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.731 4.513 0.840 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.530 5.272 3.205 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.506 4.806 1.946 1.00 0.00 C ATOM 758 CZ TYR A 91 4.898 5.184 3.125 1.00 0.00 C ATOM 759 OH TYR A 91 5.659 5.472 4.235 1.00 0.00 O ATOM 0 H TYR A 91 1.548 4.544 -2.786 1.00 0.00 H new ATOM 0 HA TYR A 91 1.159 6.009 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.662 3.605 -0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.063 3.774 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.684 5.042 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.211 4.221 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.059 5.574 4.129 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.582 4.739 1.888 1.00 0.00 H new ATOM 0 HH TYR A 91 6.579 5.168 4.089 1.00 0.00 H new ATOM 769 N LYS A 92 2.977 7.714 -0.664 1.00 0.00 N ATOM 770 CA LYS A 92 4.073 8.696 -0.793 1.00 0.00 C ATOM 771 C LYS A 92 4.883 8.727 0.514 1.00 0.00 C ATOM 772 O LYS A 92 4.309 8.813 1.601 1.00 0.00 O ATOM 773 CB LYS A 92 3.534 10.127 -1.124 1.00 0.00 C ATOM 774 CG LYS A 92 2.967 10.325 -2.560 1.00 0.00 C ATOM 775 CD LYS A 92 1.606 9.630 -2.806 1.00 0.00 C ATOM 776 CE LYS A 92 0.477 10.208 -1.937 1.00 0.00 C ATOM 777 NZ LYS A 92 -0.777 9.411 -2.040 1.00 0.00 N ATOM 0 H LYS A 92 2.256 7.992 0.002 1.00 0.00 H new ATOM 0 HA LYS A 92 4.712 8.388 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.750 10.374 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.342 10.843 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.857 11.392 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.692 9.945 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.337 9.730 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.705 8.564 -2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.801 10.239 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.278 11.236 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.446 9.720 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.203 9.553 -2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.559 8.403 -1.908 1.00 0.00 H new ATOM 791 N GLY A 93 6.206 8.630 0.386 1.00 0.00 N ATOM 792 CA GLY A 93 7.131 8.689 1.517 1.00 0.00 C ATOM 793 C GLY A 93 8.100 7.524 1.510 1.00 0.00 C ATOM 794 O GLY A 93 8.219 6.811 0.499 1.00 0.00 O ATOM 0 H GLY A 93 6.670 8.507 -0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.688 9.626 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.566 8.687 2.449 1.00 0.00 H new ATOM 798 N ALA A 94 8.797 7.328 2.639 1.00 0.00 N ATOM 799 CA ALA A 94 9.776 6.250 2.810 1.00 0.00 C ATOM 800 C ALA A 94 9.084 4.879 2.801 1.00 0.00 C ATOM 801 O ALA A 94 8.326 4.554 3.721 1.00 0.00 O ATOM 802 CB ALA A 94 10.557 6.460 4.118 1.00 0.00 C ATOM 0 H ALA A 94 8.695 7.919 3.464 1.00 0.00 H new ATOM 0 HA ALA A 94 10.476 6.274 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.283 5.657 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.077 7.417 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.865 6.455 4.960 1.00 0.00 H new ATOM 808 N VAL A 95 9.329 4.102 1.734 1.00 0.00 N ATOM 809 CA VAL A 95 8.779 2.746 1.572 1.00 0.00 C ATOM 810 C VAL A 95 9.626 1.746 2.383 1.00 0.00 C ATOM 811 O VAL A 95 10.862 1.792 2.283 1.00 0.00 O ATOM 812 CB VAL A 95 8.758 2.337 0.049 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.207 0.906 -0.176 1.00 0.00 C ATOM 814 CG2 VAL A 95 7.962 3.368 -0.774 1.00 0.00 C ATOM 0 H VAL A 95 9.917 4.398 0.955 1.00 0.00 H new ATOM 0 HA VAL A 95 7.754 2.732 1.943 1.00 0.00 H new ATOM 0 HB VAL A 95 9.792 2.331 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.215 0.676 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.832 0.188 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.186 0.846 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.957 3.071 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.937 3.415 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.428 4.349 -0.677 1.00 0.00 H new ATOM 824 N PRO A 96 8.985 0.840 3.204 1.00 0.00 N ATOM 825 CA PRO A 96 9.710 -0.199 3.974 1.00 0.00 C ATOM 826 C PRO A 96 10.648 -1.061 3.086 1.00 0.00 C ATOM 827 O PRO A 96 10.311 -1.368 1.939 1.00 0.00 O ATOM 828 CB PRO A 96 8.569 -1.065 4.582 1.00 0.00 C ATOM 829 CG PRO A 96 7.389 -0.144 4.653 1.00 0.00 C ATOM 830 CD PRO A 96 7.513 0.776 3.458 1.00 0.00 C ATOM 0 HA PRO A 96 10.370 0.240 4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.356 -1.934 3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.839 -1.439 5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.454 -0.703 4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.390 0.422 5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.975 0.384 2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.101 1.763 3.669 1.00 0.00 H new ATOM 838 N ASP A 97 11.840 -1.406 3.608 1.00 0.00 N ATOM 839 CA ASP A 97 12.741 -2.396 2.970 1.00 0.00 C ATOM 840 C ASP A 97 12.118 -3.808 3.035 1.00 0.00 C ATOM 841 O ASP A 97 12.430 -4.685 2.220 1.00 0.00 O ATOM 842 CB ASP A 97 14.131 -2.400 3.654 1.00 0.00 C ATOM 843 CG ASP A 97 14.852 -1.043 3.587 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.496 -0.749 2.556 1.00 0.00 O ATOM 845 OD2 ASP A 97 14.783 -0.267 4.563 1.00 0.00 O ATOM 0 H ASP A 97 12.207 -1.013 4.475 1.00 0.00 H new ATOM 0 HA ASP A 97 12.871 -2.111 1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.012 -2.688 4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.757 -3.158 3.183 1.00 0.00 H new ATOM 850 N THR A 98 11.233 -3.994 4.030 1.00 0.00 N ATOM 851 CA THR A 98 10.446 -5.220 4.236 1.00 0.00 C ATOM 852 C THR A 98 9.300 -5.368 3.199 1.00 0.00 C ATOM 853 O THR A 98 8.724 -6.460 3.050 1.00 0.00 O ATOM 854 CB THR A 98 9.872 -5.219 5.684 1.00 0.00 C ATOM 855 OG1 THR A 98 9.184 -3.986 5.922 1.00 0.00 O ATOM 856 CG2 THR A 98 10.972 -5.381 6.743 1.00 0.00 C ATOM 0 H THR A 98 11.041 -3.277 4.730 1.00 0.00 H new ATOM 0 HA THR A 98 11.108 -6.075 4.095 1.00 0.00 H new ATOM 0 HB THR A 98 9.193 -6.067 5.767 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.296 -4.173 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.524 -5.375 7.737 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.492 -6.326 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.682 -4.558 6.659 1.00 0.00 H new ATOM 864 N PHE A 99 8.988 -4.263 2.496 1.00 0.00 N ATOM 865 CA PHE A 99 7.994 -4.240 1.407 1.00 0.00 C ATOM 866 C PHE A 99 8.528 -5.024 0.187 1.00 0.00 C ATOM 867 O PHE A 99 9.690 -4.863 -0.205 1.00 0.00 O ATOM 868 CB PHE A 99 7.657 -2.771 1.028 1.00 0.00 C ATOM 869 CG PHE A 99 6.737 -2.614 -0.186 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.355 -2.644 -0.048 1.00 0.00 C ATOM 871 CD2 PHE A 99 7.269 -2.456 -1.472 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.535 -2.518 -1.149 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.446 -2.334 -2.564 1.00 0.00 C ATOM 874 CZ PHE A 99 5.079 -2.365 -2.405 1.00 0.00 C ATOM 0 H PHE A 99 9.421 -3.356 2.669 1.00 0.00 H new ATOM 0 HA PHE A 99 7.077 -4.723 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.189 -2.288 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.588 -2.239 0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.918 -2.767 0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.340 -2.430 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.462 -2.539 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.872 -2.214 -3.549 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.433 -2.269 -3.265 1.00 0.00 H new ATOM 884 N LYS A 100 7.655 -5.870 -0.383 1.00 0.00 N ATOM 885 CA LYS A 100 7.946 -6.717 -1.555 1.00 0.00 C ATOM 886 C LYS A 100 6.627 -7.337 -2.083 1.00 0.00 C ATOM 887 O LYS A 100 5.642 -7.389 -1.339 1.00 0.00 O ATOM 888 CB LYS A 100 8.944 -7.841 -1.150 1.00 0.00 C ATOM 889 CG LYS A 100 8.489 -8.659 0.077 1.00 0.00 C ATOM 890 CD LYS A 100 9.475 -9.779 0.457 1.00 0.00 C ATOM 891 CE LYS A 100 9.159 -10.389 1.825 1.00 0.00 C ATOM 892 NZ LYS A 100 9.317 -9.396 2.929 1.00 0.00 N ATOM 0 H LYS A 100 6.704 -5.988 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 100 8.395 -6.113 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.081 -8.515 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.915 -7.394 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.365 -7.988 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.512 -9.097 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.445 -10.560 -0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.489 -9.380 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.138 -10.772 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.818 -11.239 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.987 -9.764 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.678 -8.501 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.395 -9.230 3.381 1.00 0.00 H new ATOM 906 N PRO A 101 6.570 -7.833 -3.367 1.00 0.00 N ATOM 907 CA PRO A 101 5.392 -8.582 -3.866 1.00 0.00 C ATOM 908 C PRO A 101 5.231 -9.921 -3.108 1.00 0.00 C ATOM 909 O PRO A 101 6.044 -10.840 -3.266 1.00 0.00 O ATOM 910 CB PRO A 101 5.695 -8.785 -5.377 1.00 0.00 C ATOM 911 CG PRO A 101 7.189 -8.701 -5.483 1.00 0.00 C ATOM 912 CD PRO A 101 7.617 -7.699 -4.427 1.00 0.00 C ATOM 0 HA PRO A 101 4.448 -8.059 -3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.327 -9.749 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.212 -8.019 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.650 -9.674 -5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.494 -8.376 -6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.610 -7.925 -4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.654 -6.686 -4.828 1.00 0.00 H new ATOM 920 N GLY A 102 4.203 -9.984 -2.240 1.00 0.00 N ATOM 921 CA GLY A 102 3.885 -11.191 -1.469 1.00 0.00 C ATOM 922 C GLY A 102 3.847 -10.966 0.040 1.00 0.00 C ATOM 923 O GLY A 102 3.423 -11.863 0.780 1.00 0.00 O ATOM 0 H GLY A 102 3.575 -9.201 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.918 -11.574 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.624 -11.960 -1.694 1.00 0.00 H new ATOM 927 N VAL A 103 4.285 -9.781 0.518 1.00 0.00 N ATOM 928 CA VAL A 103 4.221 -9.443 1.958 1.00 0.00 C ATOM 929 C VAL A 103 2.821 -8.875 2.293 1.00 0.00 C ATOM 930 O VAL A 103 2.252 -8.106 1.511 1.00 0.00 O ATOM 931 CB VAL A 103 5.359 -8.431 2.400 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.184 -7.022 1.782 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.463 -8.353 3.941 1.00 0.00 C ATOM 0 H VAL A 103 4.684 -9.047 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 103 4.391 -10.360 2.522 1.00 0.00 H new ATOM 0 HB VAL A 103 6.296 -8.827 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.992 -6.373 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.209 -7.096 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.227 -6.604 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.251 -7.652 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.513 -8.012 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.699 -9.340 4.340 1.00 0.00 H new ATOM 943 N GLU A 104 2.265 -9.291 3.444 1.00 0.00 N ATOM 944 CA GLU A 104 0.968 -8.800 3.930 1.00 0.00 C ATOM 945 C GLU A 104 1.173 -7.434 4.588 1.00 0.00 C ATOM 946 O GLU A 104 1.903 -7.322 5.571 1.00 0.00 O ATOM 947 CB GLU A 104 0.335 -9.814 4.915 1.00 0.00 C ATOM 948 CG GLU A 104 0.083 -11.205 4.296 1.00 0.00 C ATOM 949 CD GLU A 104 -0.642 -12.177 5.240 1.00 0.00 C ATOM 950 OE1 GLU A 104 0.019 -12.852 6.043 1.00 0.00 O ATOM 951 OE2 GLU A 104 -1.882 -12.288 5.172 1.00 0.00 O ATOM 0 H GLU A 104 2.702 -9.975 4.061 1.00 0.00 H new ATOM 0 HA GLU A 104 0.277 -8.691 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.989 -9.924 5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.610 -9.412 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.507 -11.087 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.038 -11.641 4.003 1.00 0.00 H new ATOM 958 N VAL A 105 0.560 -6.399 4.003 1.00 0.00 N ATOM 959 CA VAL A 105 0.693 -5.009 4.471 1.00 0.00 C ATOM 960 C VAL A 105 -0.632 -4.468 5.025 1.00 0.00 C ATOM 961 O VAL A 105 -1.725 -4.916 4.646 1.00 0.00 O ATOM 962 CB VAL A 105 1.222 -4.044 3.341 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.680 -4.367 2.944 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.293 -4.046 2.103 1.00 0.00 C ATOM 0 H VAL A 105 -0.045 -6.499 3.188 1.00 0.00 H new ATOM 0 HA VAL A 105 1.430 -5.033 5.274 1.00 0.00 H new ATOM 0 HB VAL A 105 1.212 -3.037 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.005 -3.679 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.327 -4.259 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.738 -5.390 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.692 -3.369 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.236 -5.054 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.704 -3.716 2.396 1.00 0.00 H new ATOM 974 N ILE A 106 -0.504 -3.503 5.939 1.00 0.00 N ATOM 975 CA ILE A 106 -1.614 -2.725 6.478 1.00 0.00 C ATOM 976 C ILE A 106 -1.446 -1.291 5.960 1.00 0.00 C ATOM 977 O ILE A 106 -0.435 -0.633 6.252 1.00 0.00 O ATOM 978 CB ILE A 106 -1.605 -2.723 8.049 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.589 -4.178 8.605 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.800 -1.913 8.623 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.466 -4.284 10.116 1.00 0.00 C ATOM 0 H ILE A 106 0.399 -3.237 6.332 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.562 -3.161 6.161 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.691 -2.228 8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.505 -4.681 8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.759 -4.717 8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.763 -1.932 9.712 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.740 -0.881 8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.736 -2.356 8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.464 -5.334 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.536 -3.815 10.439 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.310 -3.779 10.586 1.00 0.00 H new ATOM 993 N ILE A 107 -2.400 -0.839 5.150 1.00 0.00 N ATOM 994 CA ILE A 107 -2.421 0.529 4.621 1.00 0.00 C ATOM 995 C ILE A 107 -3.418 1.359 5.458 1.00 0.00 C ATOM 996 O ILE A 107 -4.472 0.849 5.851 1.00 0.00 O ATOM 997 CB ILE A 107 -2.798 0.540 3.084 1.00 0.00 C ATOM 998 CG1 ILE A 107 -4.290 0.126 2.847 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.844 -0.397 2.291 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.745 0.116 1.402 1.00 0.00 C ATOM 0 H ILE A 107 -3.185 -1.411 4.839 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.428 0.972 4.699 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.680 1.561 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.443 -0.869 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.931 0.808 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.113 -0.381 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.816 -0.054 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.933 -1.414 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.792 -0.184 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.633 1.114 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -4.138 -0.589 0.834 1.00 0.00 H new ATOM 1012 N GLU A 108 -3.066 2.615 5.759 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.918 3.512 6.560 1.00 0.00 C ATOM 1014 C GLU A 108 -3.697 4.960 6.105 1.00 0.00 C ATOM 1015 O GLU A 108 -2.578 5.334 5.795 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.621 3.357 8.074 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.586 4.147 8.977 1.00 0.00 C ATOM 1018 CD GLU A 108 -4.213 4.102 10.465 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -4.477 3.082 11.120 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -3.631 5.075 10.977 1.00 0.00 O ATOM 0 H GLU A 108 -2.189 3.039 5.458 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.963 3.243 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.672 2.301 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.601 3.687 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.609 5.186 8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.594 3.751 8.852 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.774 5.755 6.091 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.757 7.128 5.604 1.00 0.00 C ATOM 1029 C GLY A 109 -6.167 7.588 5.291 1.00 0.00 C ATOM 1030 O GLY A 109 -6.970 7.765 6.217 1.00 0.00 O ATOM 0 H GLY A 109 -5.690 5.453 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.311 7.782 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.137 7.197 4.710 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.483 7.766 3.997 1.00 0.00 N ATOM 1035 CA GLY A 110 -7.844 8.096 3.568 1.00 0.00 C ATOM 1036 C GLY A 110 -8.068 7.826 2.087 1.00 0.00 C ATOM 1037 O GLY A 110 -7.113 7.715 1.309 1.00 0.00 O ATOM 0 H GLY A 110 -5.811 7.686 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.557 7.514 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.043 9.147 3.777 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.349 7.684 1.715 1.00 0.00 N ATOM 1042 CA LEU A 111 -9.787 7.498 0.324 1.00 0.00 C ATOM 1043 C LEU A 111 -10.801 8.599 -0.028 1.00 0.00 C ATOM 1044 O LEU A 111 -11.619 8.979 0.814 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.421 6.087 0.153 1.00 0.00 C ATOM 1046 CG LEU A 111 -10.949 5.724 -1.274 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.809 5.721 -2.320 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.700 4.377 -1.259 1.00 0.00 C ATOM 0 H LEU A 111 -10.121 7.695 2.382 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.933 7.569 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.678 5.343 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.250 5.999 0.855 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.656 6.499 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.214 5.465 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.353 6.710 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.056 4.986 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.057 4.148 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.026 3.588 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.549 4.441 -0.578 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.740 9.088 -1.279 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.647 10.140 -1.783 1.00 0.00 C ATOM 1062 C ALA A 112 -12.986 9.518 -2.243 1.00 0.00 C ATOM 1063 O ALA A 112 -12.983 8.376 -2.707 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.962 10.897 -2.939 1.00 0.00 C ATOM 0 H ALA A 112 -10.062 8.767 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.865 10.847 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -11.630 11.673 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.040 11.354 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.731 10.200 -3.744 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.154 10.246 -2.097 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.483 9.746 -2.540 1.00 0.00 C ATOM 1072 C PRO A 113 -15.630 9.803 -4.082 1.00 0.00 C ATOM 1073 O PRO A 113 -16.346 10.644 -4.639 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.465 10.693 -1.806 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.721 11.986 -1.691 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.268 11.603 -1.476 1.00 0.00 C ATOM 0 HA PRO A 113 -15.659 8.697 -2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.392 10.816 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.736 10.302 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.839 12.587 -2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.097 12.582 -0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.593 12.316 -1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.014 11.579 -0.416 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.918 8.888 -4.755 1.00 0.00 N ATOM 1085 CA GLY A 114 -14.804 8.871 -6.212 1.00 0.00 C ATOM 1086 C GLY A 114 -13.346 8.744 -6.611 1.00 0.00 C ATOM 1087 O GLY A 114 -12.750 9.691 -7.134 1.00 0.00 O ATOM 0 H GLY A 114 -14.403 8.136 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.377 8.039 -6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.227 9.785 -6.630 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.777 7.555 -6.355 1.00 0.00 N ATOM 1092 CA GLU A 115 -11.341 7.274 -6.547 1.00 0.00 C ATOM 1093 C GLU A 115 -11.065 5.777 -6.336 1.00 0.00 C ATOM 1094 O GLU A 115 -11.644 5.148 -5.440 1.00 0.00 O ATOM 1095 CB GLU A 115 -10.468 8.118 -5.567 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.943 7.946 -5.712 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.384 8.333 -7.096 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -8.319 7.460 -7.991 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -7.982 9.502 -7.289 1.00 0.00 O ATOM 0 H GLU A 115 -13.303 6.754 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.074 7.551 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.711 9.171 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.749 7.860 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.448 8.551 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.686 6.906 -5.508 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.174 5.218 -7.167 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.724 3.825 -7.058 1.00 0.00 C ATOM 1108 C ASP A 116 -8.551 3.738 -6.076 1.00 0.00 C ATOM 1109 O ASP A 116 -8.467 2.804 -5.265 1.00 0.00 O ATOM 1110 CB ASP A 116 -9.274 3.291 -8.442 1.00 0.00 C ATOM 1111 CG ASP A 116 -10.356 3.441 -9.517 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -11.244 2.575 -9.602 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -10.332 4.440 -10.279 1.00 0.00 O ATOM 0 H ASP A 116 -9.742 5.725 -7.940 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.554 3.218 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -8.378 3.825 -8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.003 2.239 -8.350 1.00 0.00 H new ATOM 1118 N THR A 117 -7.649 4.739 -6.162 1.00 0.00 N ATOM 1119 CA THR A 117 -6.359 4.703 -5.475 1.00 0.00 C ATOM 1120 C THR A 117 -6.480 5.178 -4.021 1.00 0.00 C ATOM 1121 O THR A 117 -6.919 6.302 -3.760 1.00 0.00 O ATOM 1122 CB THR A 117 -5.277 5.542 -6.233 1.00 0.00 C ATOM 1123 OG1 THR A 117 -5.638 6.933 -6.243 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.098 5.053 -7.681 1.00 0.00 C ATOM 0 H THR A 117 -7.802 5.586 -6.709 1.00 0.00 H new ATOM 0 HA THR A 117 -6.036 3.662 -5.467 1.00 0.00 H new ATOM 0 HB THR A 117 -4.333 5.412 -5.703 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.952 7.446 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.339 5.658 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.784 4.009 -7.676 1.00 0.00 H new ATOM 0 HG23 THR A 117 -6.043 5.145 -8.216 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.100 4.302 -3.079 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.061 4.629 -1.652 1.00 0.00 C ATOM 1134 C PHE A 118 -4.793 5.436 -1.329 1.00 0.00 C ATOM 1135 O PHE A 118 -3.695 5.057 -1.737 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.103 3.341 -0.795 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.163 3.623 0.705 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -7.367 3.961 1.308 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -5.018 3.576 1.502 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -7.427 4.239 2.654 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -5.084 3.859 2.848 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.287 4.186 3.423 1.00 0.00 C ATOM 0 H PHE A 118 -5.811 3.346 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.937 5.232 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -6.971 2.748 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.220 2.739 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -8.267 4.006 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.069 3.315 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -8.371 4.500 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -4.189 3.824 3.452 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.339 4.402 4.480 1.00 0.00 H new ATOM 1152 N LYS A 119 -4.959 6.536 -0.584 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.848 7.400 -0.169 1.00 0.00 C ATOM 1154 C LYS A 119 -3.367 6.940 1.219 1.00 0.00 C ATOM 1155 O LYS A 119 -3.971 7.293 2.245 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.287 8.904 -0.148 1.00 0.00 C ATOM 1157 CG LYS A 119 -4.806 9.474 -1.505 1.00 0.00 C ATOM 1158 CD LYS A 119 -6.230 8.993 -1.891 1.00 0.00 C ATOM 1159 CE LYS A 119 -6.708 9.525 -3.253 1.00 0.00 C ATOM 1160 NZ LYS A 119 -5.880 9.014 -4.377 1.00 0.00 N ATOM 0 H LYS A 119 -5.870 6.852 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.029 7.318 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.071 9.025 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.440 9.507 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.803 10.563 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.111 9.190 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.244 7.903 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.933 9.308 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.748 9.237 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.677 10.615 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.126 9.524 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.873 9.161 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.061 7.998 -4.508 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.310 6.112 1.237 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.771 5.531 2.475 1.00 0.00 C ATOM 1176 C ALA A 120 -0.835 6.519 3.185 1.00 0.00 C ATOM 1177 O ALA A 120 0.316 6.686 2.784 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.056 4.204 2.177 1.00 0.00 C ATOM 0 H ALA A 120 -1.807 5.828 0.396 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.603 5.325 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.663 3.787 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.762 3.502 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.235 4.381 1.482 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.368 7.199 4.211 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.584 8.058 5.129 1.00 0.00 C ATOM 1186 C ARG A 121 0.549 7.247 5.799 1.00 0.00 C ATOM 1187 O ARG A 121 1.637 7.770 6.073 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.525 8.655 6.214 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.862 9.643 7.204 1.00 0.00 C ATOM 1190 CD ARG A 121 -1.827 10.133 8.297 1.00 0.00 C ATOM 1191 NE ARG A 121 -3.046 10.725 7.719 1.00 0.00 N ATOM 1192 CZ ARG A 121 -4.185 10.977 8.384 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -4.277 10.778 9.697 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -5.225 11.456 7.725 1.00 0.00 N ATOM 0 H ARG A 121 -2.363 7.172 4.434 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.133 8.867 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.348 9.167 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.960 7.834 6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.005 9.159 7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.480 10.502 6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.099 9.299 8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.325 10.871 8.922 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.023 10.964 6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.473 10.428 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -5.152 10.976 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.157 11.630 6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.096 11.651 8.219 1.00 0.00 H new ATOM 1208 N THR A 122 0.270 5.958 6.038 1.00 0.00 N ATOM 1209 CA THR A 122 1.197 5.008 6.654 1.00 0.00 C ATOM 1210 C THR A 122 1.111 3.661 5.905 1.00 0.00 C ATOM 1211 O THR A 122 0.019 3.235 5.487 1.00 0.00 O ATOM 1212 CB THR A 122 0.870 4.797 8.172 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.500 4.386 8.323 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.119 6.067 9.016 1.00 0.00 C ATOM 0 H THR A 122 -0.630 5.540 5.801 1.00 0.00 H new ATOM 0 HA THR A 122 2.207 5.411 6.584 1.00 0.00 H new ATOM 0 HB THR A 122 1.543 4.022 8.539 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.548 3.407 8.336 1.00 0.00 H new ATOM 0 HG21 THR A 122 0.876 5.864 10.059 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.167 6.357 8.937 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.490 6.877 8.648 1.00 0.00 H new ATOM 1222 N LEU A 123 2.270 3.019 5.727 1.00 0.00 N ATOM 1223 CA LEU A 123 2.396 1.689 5.122 1.00 0.00 C ATOM 1224 C LEU A 123 3.319 0.859 6.010 1.00 0.00 C ATOM 1225 O LEU A 123 4.476 1.229 6.213 1.00 0.00 O ATOM 1226 CB LEU A 123 2.980 1.783 3.684 1.00 0.00 C ATOM 1227 CG LEU A 123 3.182 0.430 2.929 1.00 0.00 C ATOM 1228 CD1 LEU A 123 1.831 -0.279 2.686 1.00 0.00 C ATOM 1229 CD2 LEU A 123 3.963 0.638 1.604 1.00 0.00 C ATOM 0 H LEU A 123 3.166 3.418 6.006 1.00 0.00 H new ATOM 0 HA LEU A 123 1.413 1.224 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.320 2.413 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 123 3.943 2.292 3.738 1.00 0.00 H new ATOM 0 HG LEU A 123 3.784 -0.221 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.002 -1.218 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.350 -0.483 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.187 0.362 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.088 -0.321 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.408 1.317 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.942 1.064 1.822 1.00 0.00 H new ATOM 1241 N MET A 124 2.800 -0.246 6.554 1.00 0.00 N ATOM 1242 CA MET A 124 3.569 -1.168 7.402 1.00 0.00 C ATOM 1243 C MET A 124 3.383 -2.597 6.900 1.00 0.00 C ATOM 1244 O MET A 124 2.336 -2.939 6.358 1.00 0.00 O ATOM 1245 CB MET A 124 3.127 -1.057 8.889 1.00 0.00 C ATOM 1246 CG MET A 124 1.652 -1.387 9.161 1.00 0.00 C ATOM 1247 SD MET A 124 1.258 -1.514 10.919 1.00 0.00 S ATOM 1248 CE MET A 124 2.214 -2.953 11.399 1.00 0.00 C ATOM 0 H MET A 124 1.829 -0.529 6.419 1.00 0.00 H new ATOM 0 HA MET A 124 4.624 -0.898 7.345 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.748 -1.725 9.486 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.325 -0.043 9.235 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.026 -0.617 8.711 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.402 -2.328 8.671 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.792 -3.384 12.307 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.185 -3.693 10.599 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.247 -2.659 11.583 1.00 0.00 H new ATOM 1258 N THR A 125 4.426 -3.410 7.060 1.00 0.00 N ATOM 1259 CA THR A 125 4.401 -4.842 6.742 1.00 0.00 C ATOM 1260 C THR A 125 4.217 -5.664 8.032 1.00 0.00 C ATOM 1261 O THR A 125 4.609 -5.227 9.124 1.00 0.00 O ATOM 1262 CB THR A 125 5.726 -5.264 6.044 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.821 -5.050 6.936 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.968 -4.472 4.744 1.00 0.00 C ATOM 0 H THR A 125 5.326 -3.091 7.419 1.00 0.00 H new ATOM 0 HA THR A 125 3.566 -5.033 6.067 1.00 0.00 H new ATOM 0 HB THR A 125 5.645 -6.320 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.370 -5.860 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.903 -4.797 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.146 -4.650 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.026 -3.408 4.972 1.00 0.00 H new ATOM 1272 N LYS A 126 3.622 -6.857 7.892 1.00 0.00 N ATOM 1273 CA LYS A 126 3.438 -7.811 9.004 1.00 0.00 C ATOM 1274 C LYS A 126 4.643 -8.762 9.105 1.00 0.00 C ATOM 1275 O LYS A 126 4.912 -9.327 10.172 1.00 0.00 O ATOM 1276 CB LYS A 126 2.134 -8.625 8.797 1.00 0.00 C ATOM 1277 CG LYS A 126 0.849 -7.774 8.784 1.00 0.00 C ATOM 1278 CD LYS A 126 -0.428 -8.644 8.719 1.00 0.00 C ATOM 1279 CE LYS A 126 -1.710 -7.808 8.835 1.00 0.00 C ATOM 1280 NZ LYS A 126 -2.929 -8.644 8.825 1.00 0.00 N ATOM 0 H LYS A 126 3.252 -7.192 7.002 1.00 0.00 H new ATOM 0 HA LYS A 126 3.362 -7.248 9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.205 -9.169 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.055 -9.369 9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.818 -7.153 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.871 -7.099 7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.441 -9.196 7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.404 -9.381 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.679 -7.226 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.753 -7.097 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.768 -8.035 8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.975 -9.181 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.903 -9.305 9.627 1.00 0.00 H new