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 98 THR OG1 : rot 128:sc= 1.17 USER MOD Set 1.2: A 125 THR OG1 : rot 18:sc= 0.803 USER MOD Single : A 52 THR OG1 : rot 31:sc= 0.0951 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.874 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -143:sc= 0 (180deg=-1.48) USER MOD Single : A 86 THR OG1 : rot -23:sc= 0.556 USER MOD Single : A 91 TYR OH : rot 168:sc= 1.19 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -80:sc= 0.0233 USER MOD Single : A 119 LYS NZ :NH3+ -107:sc= -0.671 (180deg=-2.9!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 124 MET CE :methyl 164:sc=-0.00497 (180deg=-0.233) USER MOD Single : A 126 LYS NZ :NH3+ -177:sc= -1.22 (180deg=-1.35) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -11.202 8.044 7.958 1.00 0.00 N ATOM 147 CA THR A 52 -9.830 7.562 7.736 1.00 0.00 C ATOM 148 C THR A 52 -9.835 6.037 7.979 1.00 0.00 C ATOM 149 O THR A 52 -10.109 5.580 9.098 1.00 0.00 O ATOM 150 CB THR A 52 -8.811 8.279 8.691 1.00 0.00 C ATOM 151 OG1 THR A 52 -8.935 9.706 8.545 1.00 0.00 O ATOM 152 CG2 THR A 52 -7.346 7.875 8.419 1.00 0.00 C ATOM 0 HA THR A 52 -9.512 7.788 6.718 1.00 0.00 H new ATOM 0 HB THR A 52 -9.056 7.967 9.706 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.862 9.933 8.320 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.689 8.403 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.233 6.800 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.081 8.136 7.395 1.00 0.00 H new ATOM 160 N VAL A 53 -9.548 5.269 6.923 1.00 0.00 N ATOM 161 CA VAL A 53 -9.701 3.805 6.899 1.00 0.00 C ATOM 162 C VAL A 53 -8.324 3.146 7.058 1.00 0.00 C ATOM 163 O VAL A 53 -7.318 3.677 6.578 1.00 0.00 O ATOM 164 CB VAL A 53 -10.360 3.331 5.542 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.490 1.791 5.451 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.729 4.012 5.316 1.00 0.00 C ATOM 0 H VAL A 53 -9.197 5.651 6.045 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.352 3.509 7.722 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.685 3.642 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.948 1.520 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.501 1.338 5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.112 1.429 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.157 3.666 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.401 3.758 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.596 5.093 5.278 1.00 0.00 H new ATOM 176 N ARG A 54 -8.286 2.000 7.744 1.00 0.00 N ATOM 177 CA ARG A 54 -7.090 1.161 7.849 1.00 0.00 C ATOM 178 C ARG A 54 -7.374 -0.181 7.166 1.00 0.00 C ATOM 179 O ARG A 54 -8.334 -0.877 7.525 1.00 0.00 O ATOM 180 CB ARG A 54 -6.691 0.979 9.331 1.00 0.00 C ATOM 181 CG ARG A 54 -5.353 0.242 9.568 1.00 0.00 C ATOM 182 CD ARG A 54 -4.882 0.315 11.037 1.00 0.00 C ATOM 183 NE ARG A 54 -5.857 -0.282 11.978 1.00 0.00 N ATOM 184 CZ ARG A 54 -6.718 0.401 12.756 1.00 0.00 C ATOM 185 NH1 ARG A 54 -6.828 1.723 12.662 1.00 0.00 N ATOM 186 NH2 ARG A 54 -7.500 -0.253 13.595 1.00 0.00 N ATOM 0 H ARG A 54 -9.091 1.626 8.246 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.247 1.638 7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.633 1.962 9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.484 0.431 9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.463 -0.803 9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.587 0.673 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.926 -0.200 11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.712 1.357 11.309 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.878 -1.300 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.255 2.236 11.992 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.486 2.224 13.260 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.450 -1.270 13.651 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.154 0.259 14.187 1.00 0.00 H new ATOM 200 N LEU A 55 -6.541 -0.535 6.179 1.00 0.00 N ATOM 201 CA LEU A 55 -6.738 -1.732 5.349 1.00 0.00 C ATOM 202 C LEU A 55 -5.587 -2.708 5.559 1.00 0.00 C ATOM 203 O LEU A 55 -4.438 -2.315 5.798 1.00 0.00 O ATOM 204 CB LEU A 55 -6.866 -1.361 3.852 1.00 0.00 C ATOM 205 CG LEU A 55 -8.165 -0.603 3.466 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.085 -0.020 2.039 1.00 0.00 C ATOM 207 CD2 LEU A 55 -9.406 -1.510 3.628 1.00 0.00 C ATOM 0 H LEU A 55 -5.709 0.001 5.932 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.669 -2.209 5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.010 -0.747 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.809 -2.276 3.262 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.268 0.237 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.013 0.503 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.250 0.678 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.935 -0.829 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.302 -0.954 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.306 -2.382 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.487 -1.834 4.665 1.00 0.00 H new ATOM 219 N PHE A 56 -5.940 -3.979 5.456 1.00 0.00 N ATOM 220 CA PHE A 56 -5.040 -5.112 5.681 1.00 0.00 C ATOM 221 C PHE A 56 -5.168 -6.060 4.485 1.00 0.00 C ATOM 222 O PHE A 56 -6.215 -6.696 4.311 1.00 0.00 O ATOM 223 CB PHE A 56 -5.422 -5.859 6.994 1.00 0.00 C ATOM 224 CG PHE A 56 -5.470 -4.998 8.265 1.00 0.00 C ATOM 225 CD1 PHE A 56 -6.582 -4.198 8.553 1.00 0.00 C ATOM 226 CD2 PHE A 56 -4.419 -4.997 9.173 1.00 0.00 C ATOM 227 CE1 PHE A 56 -6.632 -3.433 9.700 1.00 0.00 C ATOM 228 CE2 PHE A 56 -4.474 -4.234 10.323 1.00 0.00 C ATOM 229 CZ PHE A 56 -5.577 -3.452 10.584 1.00 0.00 C ATOM 0 H PHE A 56 -6.887 -4.265 5.207 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.014 -4.759 5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.399 -6.322 6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.706 -6.666 7.152 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.415 -4.179 7.866 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.546 -5.602 8.977 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.498 -2.820 9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.649 -4.251 11.020 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.614 -2.854 11.482 1.00 0.00 H new ATOM 239 N GLY A 57 -4.134 -6.127 3.641 1.00 0.00 N ATOM 240 CA GLY A 57 -4.126 -7.059 2.505 1.00 0.00 C ATOM 241 C GLY A 57 -2.723 -7.440 2.079 1.00 0.00 C ATOM 242 O GLY A 57 -1.785 -7.323 2.867 1.00 0.00 O ATOM 0 H GLY A 57 -3.296 -5.552 3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.678 -7.960 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.648 -6.605 1.663 1.00 0.00 H new ATOM 246 N THR A 58 -2.592 -7.896 0.824 1.00 0.00 N ATOM 247 CA THR A 58 -1.315 -8.308 0.218 1.00 0.00 C ATOM 248 C THR A 58 -0.987 -7.393 -0.978 1.00 0.00 C ATOM 249 O THR A 58 -1.887 -6.925 -1.669 1.00 0.00 O ATOM 250 CB THR A 58 -1.396 -9.800 -0.253 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.788 -10.623 0.858 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.065 -10.325 -0.829 1.00 0.00 C ATOM 0 H THR A 58 -3.385 -7.991 0.189 1.00 0.00 H new ATOM 0 HA THR A 58 -0.524 -8.220 0.963 1.00 0.00 H new ATOM 0 HB THR A 58 -2.132 -9.845 -1.056 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.842 -11.558 0.569 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.186 -11.363 -1.137 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.222 -9.722 -1.691 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.712 -10.261 -0.067 1.00 0.00 H new ATOM 260 N VAL A 59 0.306 -7.128 -1.181 1.00 0.00 N ATOM 261 CA VAL A 59 0.821 -6.374 -2.332 1.00 0.00 C ATOM 262 C VAL A 59 0.917 -7.311 -3.543 1.00 0.00 C ATOM 263 O VAL A 59 1.625 -8.325 -3.471 1.00 0.00 O ATOM 264 CB VAL A 59 2.243 -5.777 -2.026 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.759 -4.900 -3.192 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.234 -5.003 -0.693 1.00 0.00 C ATOM 0 H VAL A 59 1.038 -7.435 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 59 0.139 -5.550 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 59 2.940 -6.609 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.744 -4.506 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.828 -5.503 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.069 -4.073 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.228 -4.598 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.515 -4.186 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.953 -5.676 0.117 1.00 0.00 H new ATOM 276 N ALA A 60 0.201 -6.976 -4.630 1.00 0.00 N ATOM 277 CA ALA A 60 0.193 -7.781 -5.865 1.00 0.00 C ATOM 278 C ALA A 60 1.590 -7.860 -6.499 1.00 0.00 C ATOM 279 O ALA A 60 2.271 -6.835 -6.663 1.00 0.00 O ATOM 280 CB ALA A 60 -0.826 -7.233 -6.873 1.00 0.00 C ATOM 0 H ALA A 60 -0.386 -6.143 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.105 -8.793 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.811 -7.845 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.823 -7.259 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.569 -6.205 -7.128 1.00 0.00 H new ATOM 286 N ALA A 61 2.007 -9.090 -6.834 1.00 0.00 N ATOM 287 CA ALA A 61 3.316 -9.366 -7.442 1.00 0.00 C ATOM 288 C ALA A 61 3.401 -8.855 -8.890 1.00 0.00 C ATOM 289 O ALA A 61 4.480 -8.512 -9.378 1.00 0.00 O ATOM 290 CB ALA A 61 3.621 -10.861 -7.366 1.00 0.00 C ATOM 0 H ALA A 61 1.441 -9.926 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 61 4.071 -8.822 -6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.593 -11.058 -7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.636 -11.177 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.852 -11.417 -7.902 1.00 0.00 H new ATOM 296 N ASP A 62 2.248 -8.816 -9.563 1.00 0.00 N ATOM 297 CA ASP A 62 2.108 -8.234 -10.914 1.00 0.00 C ATOM 298 C ASP A 62 1.281 -6.941 -10.813 1.00 0.00 C ATOM 299 O ASP A 62 0.440 -6.646 -11.680 1.00 0.00 O ATOM 300 CB ASP A 62 1.463 -9.266 -11.881 1.00 0.00 C ATOM 301 CG ASP A 62 2.344 -10.509 -12.094 1.00 0.00 C ATOM 302 OD1 ASP A 62 3.317 -10.437 -12.877 1.00 0.00 O ATOM 303 OD2 ASP A 62 2.087 -11.557 -11.466 1.00 0.00 O ATOM 0 H ASP A 62 1.375 -9.188 -9.189 1.00 0.00 H new ATOM 0 HA ASP A 62 3.088 -7.986 -11.323 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.496 -9.575 -11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.276 -8.789 -12.843 1.00 0.00 H new ATOM 308 N GLY A 63 1.577 -6.140 -9.771 1.00 0.00 N ATOM 309 CA GLY A 63 0.842 -4.914 -9.502 1.00 0.00 C ATOM 310 C GLY A 63 1.525 -4.050 -8.458 1.00 0.00 C ATOM 311 O GLY A 63 0.906 -3.638 -7.470 1.00 0.00 O ATOM 0 H GLY A 63 2.326 -6.332 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.735 -4.347 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.164 -5.163 -9.163 1.00 0.00 H new ATOM 315 N LEU A 64 2.818 -3.785 -8.690 1.00 0.00 N ATOM 316 CA LEU A 64 3.651 -2.929 -7.829 1.00 0.00 C ATOM 317 C LEU A 64 4.435 -1.960 -8.740 1.00 0.00 C ATOM 318 O LEU A 64 5.347 -2.384 -9.458 1.00 0.00 O ATOM 319 CB LEU A 64 4.594 -3.829 -6.960 1.00 0.00 C ATOM 320 CG LEU A 64 5.321 -3.162 -5.729 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.948 -4.234 -4.817 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.404 -2.127 -6.140 1.00 0.00 C ATOM 0 H LEU A 64 3.323 -4.163 -9.491 1.00 0.00 H new ATOM 0 HA LEU A 64 3.046 -2.341 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.006 -4.668 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.359 -4.243 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 64 4.548 -2.619 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.444 -3.751 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.167 -4.898 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.677 -4.813 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.864 -1.707 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.167 -2.619 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.942 -1.328 -6.720 1.00 0.00 H new ATOM 334 N THR A 65 4.055 -0.672 -8.719 1.00 0.00 N ATOM 335 CA THR A 65 4.740 0.400 -9.472 1.00 0.00 C ATOM 336 C THR A 65 5.387 1.399 -8.484 1.00 0.00 C ATOM 337 O THR A 65 4.692 2.031 -7.688 1.00 0.00 O ATOM 338 CB THR A 65 3.743 1.162 -10.413 1.00 0.00 C ATOM 339 OG1 THR A 65 3.105 0.228 -11.301 1.00 0.00 O ATOM 340 CG2 THR A 65 4.442 2.257 -11.246 1.00 0.00 C ATOM 0 H THR A 65 3.258 -0.339 -8.176 1.00 0.00 H new ATOM 0 HA THR A 65 5.510 -0.060 -10.092 1.00 0.00 H new ATOM 0 HB THR A 65 3.005 1.649 -9.775 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.482 0.707 -11.886 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.709 2.755 -11.881 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.898 2.987 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.213 1.804 -11.869 1.00 0.00 H new ATOM 348 N MET A 66 6.718 1.545 -8.555 1.00 0.00 N ATOM 349 CA MET A 66 7.474 2.496 -7.712 1.00 0.00 C ATOM 350 C MET A 66 7.386 3.914 -8.305 1.00 0.00 C ATOM 351 O MET A 66 7.367 4.081 -9.531 1.00 0.00 O ATOM 352 CB MET A 66 8.950 2.032 -7.585 1.00 0.00 C ATOM 353 CG MET A 66 9.150 0.833 -6.650 1.00 0.00 C ATOM 354 SD MET A 66 8.882 1.275 -4.916 1.00 0.00 S ATOM 355 CE MET A 66 9.237 -0.267 -4.071 1.00 0.00 C ATOM 0 H MET A 66 7.304 1.010 -9.196 1.00 0.00 H new ATOM 0 HA MET A 66 7.037 2.520 -6.714 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.325 1.774 -8.575 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.552 2.866 -7.224 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.463 0.035 -6.931 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.160 0.442 -6.773 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.555 -0.386 -3.229 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.107 -1.099 -4.763 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.264 -0.254 -3.707 1.00 0.00 H new ATOM 365 N LEU A 67 7.312 4.928 -7.423 1.00 0.00 N ATOM 366 CA LEU A 67 7.230 6.338 -7.839 1.00 0.00 C ATOM 367 C LEU A 67 8.609 6.831 -8.307 1.00 0.00 C ATOM 368 O LEU A 67 9.612 6.594 -7.638 1.00 0.00 O ATOM 369 CB LEU A 67 6.673 7.230 -6.690 1.00 0.00 C ATOM 370 CG LEU A 67 5.240 6.867 -6.164 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.769 7.871 -5.082 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.219 6.749 -7.326 1.00 0.00 C ATOM 0 H LEU A 67 7.307 4.794 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 67 6.535 6.413 -8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.368 7.182 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.660 8.264 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 67 5.300 5.886 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.773 7.593 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.463 7.852 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.740 8.875 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.238 6.497 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.160 7.699 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.541 5.968 -8.015 1.00 0.00 H new ATOM 384 N ASP A 68 8.642 7.490 -9.475 1.00 0.00 N ATOM 385 CA ASP A 68 9.878 8.043 -10.065 1.00 0.00 C ATOM 386 C ASP A 68 9.958 9.543 -9.794 1.00 0.00 C ATOM 387 O ASP A 68 8.942 10.241 -9.875 1.00 0.00 O ATOM 388 CB ASP A 68 9.931 7.775 -11.589 1.00 0.00 C ATOM 389 CG ASP A 68 10.200 6.304 -11.920 1.00 0.00 C ATOM 390 OD1 ASP A 68 11.373 5.880 -11.820 1.00 0.00 O ATOM 391 OD2 ASP A 68 9.257 5.559 -12.268 1.00 0.00 O ATOM 0 H ASP A 68 7.811 7.657 -10.042 1.00 0.00 H new ATOM 0 HA ASP A 68 10.731 7.548 -9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.986 8.078 -12.040 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.710 8.392 -12.036 1.00 0.00 H new ATOM 396 N GLY A 69 11.178 10.021 -9.467 1.00 0.00 N ATOM 397 CA GLY A 69 11.417 11.425 -9.111 1.00 0.00 C ATOM 398 C GLY A 69 10.699 11.844 -7.827 1.00 0.00 C ATOM 399 O GLY A 69 10.496 13.038 -7.582 1.00 0.00 O ATOM 0 H GLY A 69 12.018 9.442 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.488 11.587 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.087 12.064 -9.931 1.00 0.00 H new ATOM 403 N ALA A 70 10.325 10.840 -7.010 1.00 0.00 N ATOM 404 CA ALA A 70 9.486 11.021 -5.820 1.00 0.00 C ATOM 405 C ALA A 70 9.629 9.791 -4.889 1.00 0.00 C ATOM 406 O ALA A 70 9.501 8.659 -5.369 1.00 0.00 O ATOM 407 CB ALA A 70 8.010 11.207 -6.248 1.00 0.00 C ATOM 0 H ALA A 70 10.603 9.871 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 70 9.809 11.910 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.389 11.341 -5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.925 12.085 -6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.676 10.326 -6.795 1.00 0.00 H new ATOM 413 N PRO A 71 9.913 9.980 -3.555 1.00 0.00 N ATOM 414 CA PRO A 71 9.949 8.861 -2.581 1.00 0.00 C ATOM 415 C PRO A 71 8.521 8.308 -2.329 1.00 0.00 C ATOM 416 O PRO A 71 7.611 9.057 -1.952 1.00 0.00 O ATOM 417 CB PRO A 71 10.566 9.506 -1.309 1.00 0.00 C ATOM 418 CG PRO A 71 10.216 10.961 -1.413 1.00 0.00 C ATOM 419 CD PRO A 71 10.220 11.283 -2.898 1.00 0.00 C ATOM 0 HA PRO A 71 10.527 8.003 -2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.155 9.064 -0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.646 9.360 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.239 11.161 -0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.939 11.576 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.474 12.039 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.186 11.673 -3.218 1.00 0.00 H new ATOM 427 N GLY A 72 8.334 7.007 -2.595 1.00 0.00 N ATOM 428 CA GLY A 72 7.053 6.336 -2.389 1.00 0.00 C ATOM 429 C GLY A 72 6.839 5.177 -3.350 1.00 0.00 C ATOM 430 O GLY A 72 7.738 4.820 -4.124 1.00 0.00 O ATOM 0 H GLY A 72 9.067 6.397 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.000 5.968 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.245 7.058 -2.510 1.00 0.00 H new ATOM 434 N VAL A 73 5.627 4.616 -3.311 1.00 0.00 N ATOM 435 CA VAL A 73 5.228 3.461 -4.121 1.00 0.00 C ATOM 436 C VAL A 73 3.692 3.411 -4.225 1.00 0.00 C ATOM 437 O VAL A 73 2.982 3.707 -3.258 1.00 0.00 O ATOM 438 CB VAL A 73 5.772 2.111 -3.519 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.288 1.892 -2.057 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.409 0.907 -4.427 1.00 0.00 C ATOM 0 H VAL A 73 4.882 4.958 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 73 5.663 3.577 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 73 6.859 2.184 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.685 0.950 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.640 2.712 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.199 1.861 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.797 -0.011 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.325 0.835 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.849 1.050 -5.414 1.00 0.00 H new ATOM 450 N ARG A 74 3.190 3.077 -5.417 1.00 0.00 N ATOM 451 CA ARG A 74 1.778 2.756 -5.638 1.00 0.00 C ATOM 452 C ARG A 74 1.657 1.260 -5.982 1.00 0.00 C ATOM 453 O ARG A 74 2.474 0.726 -6.728 1.00 0.00 O ATOM 454 CB ARG A 74 1.178 3.639 -6.760 1.00 0.00 C ATOM 455 CG ARG A 74 -0.355 3.505 -6.912 1.00 0.00 C ATOM 456 CD ARG A 74 -0.916 4.361 -8.051 1.00 0.00 C ATOM 457 NE ARG A 74 -2.388 4.283 -8.126 1.00 0.00 N ATOM 458 CZ ARG A 74 -3.108 4.248 -9.256 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.519 4.197 -10.441 1.00 0.00 N ATOM 460 NH2 ARG A 74 -4.431 4.222 -9.189 1.00 0.00 N ATOM 0 H ARG A 74 3.757 3.021 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 74 1.211 2.964 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.423 4.682 -6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.651 3.378 -7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.608 2.460 -7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.835 3.793 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.615 5.399 -7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.487 4.032 -8.997 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.900 4.253 -7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.501 4.184 -10.504 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.083 4.171 -11.290 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.896 4.229 -8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.985 4.195 -10.045 1.00 0.00 H new ATOM 474 N PHE A 75 0.631 0.601 -5.449 1.00 0.00 N ATOM 475 CA PHE A 75 0.444 -0.857 -5.590 1.00 0.00 C ATOM 476 C PHE A 75 -1.035 -1.196 -5.459 1.00 0.00 C ATOM 477 O PHE A 75 -1.766 -0.499 -4.770 1.00 0.00 O ATOM 478 CB PHE A 75 1.290 -1.629 -4.535 1.00 0.00 C ATOM 479 CG PHE A 75 0.963 -1.303 -3.067 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.509 -0.173 -2.438 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.119 -2.126 -2.311 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.224 0.114 -1.116 1.00 0.00 C ATOM 483 CE2 PHE A 75 -0.161 -1.836 -0.990 1.00 0.00 C ATOM 484 CZ PHE A 75 0.389 -0.719 -0.393 1.00 0.00 C ATOM 0 H PHE A 75 -0.101 1.056 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 75 0.790 -1.166 -6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.150 -2.698 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.344 -1.416 -4.712 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.162 0.482 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.320 -3.001 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.653 0.988 -0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.812 -2.485 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.167 -0.495 0.640 1.00 0.00 H new ATOM 494 N ARG A 76 -1.472 -2.295 -6.086 1.00 0.00 N ATOM 495 CA ARG A 76 -2.889 -2.699 -6.060 1.00 0.00 C ATOM 496 C ARG A 76 -3.061 -3.704 -4.916 1.00 0.00 C ATOM 497 O ARG A 76 -2.553 -4.834 -4.972 1.00 0.00 O ATOM 498 CB ARG A 76 -3.360 -3.239 -7.447 1.00 0.00 C ATOM 499 CG ARG A 76 -2.502 -4.368 -8.039 1.00 0.00 C ATOM 500 CD ARG A 76 -2.806 -4.661 -9.514 1.00 0.00 C ATOM 501 NE ARG A 76 -4.177 -5.127 -9.742 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.828 -5.057 -10.913 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.252 -4.520 -11.982 1.00 0.00 N ATOM 504 NH2 ARG A 76 -6.052 -5.546 -11.013 1.00 0.00 N ATOM 0 H ARG A 76 -0.868 -2.922 -6.618 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.535 -1.841 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.385 -3.597 -7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.378 -2.410 -8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.449 -4.104 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.659 -5.276 -7.457 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.635 -3.758 -10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.108 -5.415 -9.879 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.674 -5.535 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.302 -4.154 -11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.759 -4.474 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.498 -5.974 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.551 -5.495 -11.901 1.00 0.00 H new ATOM 518 N LEU A 77 -3.709 -3.238 -3.840 1.00 0.00 N ATOM 519 CA LEU A 77 -3.878 -4.008 -2.611 1.00 0.00 C ATOM 520 C LEU A 77 -4.911 -5.114 -2.829 1.00 0.00 C ATOM 521 O LEU A 77 -6.085 -4.835 -3.116 1.00 0.00 O ATOM 522 CB LEU A 77 -4.328 -3.089 -1.445 1.00 0.00 C ATOM 523 CG LEU A 77 -4.343 -3.750 -0.034 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.922 -4.182 0.388 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.988 -2.816 1.012 1.00 0.00 C ATOM 0 H LEU A 77 -4.131 -2.310 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.919 -4.455 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.668 -2.222 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.330 -2.719 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.957 -4.649 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.960 -4.640 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.532 -4.902 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.270 -3.309 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.984 -3.304 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.421 -1.887 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.015 -2.597 0.720 1.00 0.00 H new ATOM 537 N GLU A 78 -4.447 -6.364 -2.762 1.00 0.00 N ATOM 538 CA GLU A 78 -5.311 -7.529 -2.767 1.00 0.00 C ATOM 539 C GLU A 78 -5.838 -7.737 -1.339 1.00 0.00 C ATOM 540 O GLU A 78 -5.212 -8.424 -0.521 1.00 0.00 O ATOM 541 CB GLU A 78 -4.527 -8.771 -3.288 1.00 0.00 C ATOM 542 CG GLU A 78 -3.772 -8.532 -4.617 1.00 0.00 C ATOM 543 CD GLU A 78 -3.099 -9.799 -5.180 1.00 0.00 C ATOM 544 OE1 GLU A 78 -2.051 -10.220 -4.636 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.617 -10.381 -6.159 1.00 0.00 O ATOM 0 H GLU A 78 -3.454 -6.589 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.158 -7.384 -3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.811 -9.080 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.225 -9.597 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.471 -8.142 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.013 -7.766 -4.461 1.00 0.00 H new ATOM 552 N ASP A 79 -6.962 -7.065 -1.041 1.00 0.00 N ATOM 553 CA ASP A 79 -7.690 -7.201 0.222 1.00 0.00 C ATOM 554 C ASP A 79 -8.195 -8.648 0.357 1.00 0.00 C ATOM 555 O ASP A 79 -9.244 -8.993 -0.198 1.00 0.00 O ATOM 556 CB ASP A 79 -8.896 -6.221 0.265 1.00 0.00 C ATOM 557 CG ASP A 79 -8.536 -4.775 -0.109 1.00 0.00 C ATOM 558 OD1 ASP A 79 -8.606 -4.429 -1.312 1.00 0.00 O ATOM 559 OD2 ASP A 79 -8.210 -3.976 0.798 1.00 0.00 O ATOM 0 H ASP A 79 -7.394 -6.402 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.020 -6.961 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.668 -6.580 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.324 -6.231 1.267 1.00 0.00 H new ATOM 659 N THR A 86 -9.173 -5.382 -7.203 1.00 0.00 N ATOM 660 CA THR A 86 -8.148 -4.762 -6.345 1.00 0.00 C ATOM 661 C THR A 86 -8.190 -3.236 -6.483 1.00 0.00 C ATOM 662 O THR A 86 -8.307 -2.700 -7.598 1.00 0.00 O ATOM 663 CB THR A 86 -6.710 -5.252 -6.724 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.501 -5.090 -8.136 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.480 -6.711 -6.348 1.00 0.00 C ATOM 0 HA THR A 86 -8.367 -5.056 -5.319 1.00 0.00 H new ATOM 0 HB THR A 86 -6.001 -4.646 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.367 -5.074 -8.595 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.469 -7.005 -6.631 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.606 -6.834 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.200 -7.340 -6.872 1.00 0.00 H new ATOM 673 N VAL A 87 -8.085 -2.558 -5.342 1.00 0.00 N ATOM 674 CA VAL A 87 -8.006 -1.097 -5.272 1.00 0.00 C ATOM 675 C VAL A 87 -6.538 -0.727 -5.073 1.00 0.00 C ATOM 676 O VAL A 87 -5.841 -1.356 -4.262 1.00 0.00 O ATOM 677 CB VAL A 87 -8.884 -0.520 -4.090 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.778 1.031 -3.973 1.00 0.00 C ATOM 679 CG2 VAL A 87 -10.359 -0.981 -4.229 1.00 0.00 C ATOM 0 H VAL A 87 -8.052 -3.011 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.397 -0.664 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.485 -0.926 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.399 1.377 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.741 1.312 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.120 1.490 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.947 -0.574 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.764 -0.624 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -10.404 -2.070 -4.203 1.00 0.00 H new ATOM 689 N TRP A 88 -6.071 0.281 -5.819 1.00 0.00 N ATOM 690 CA TRP A 88 -4.677 0.743 -5.767 1.00 0.00 C ATOM 691 C TRP A 88 -4.453 1.536 -4.485 1.00 0.00 C ATOM 692 O TRP A 88 -5.405 1.933 -3.831 1.00 0.00 O ATOM 693 CB TRP A 88 -4.327 1.580 -7.018 1.00 0.00 C ATOM 694 CG TRP A 88 -4.294 0.761 -8.280 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.361 0.333 -9.016 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.129 0.235 -8.924 1.00 0.00 C ATOM 697 NE1 TRP A 88 -4.927 -0.404 -10.086 1.00 0.00 N ATOM 698 CE2 TRP A 88 -3.564 -0.485 -10.048 1.00 0.00 C ATOM 699 CE3 TRP A 88 -1.755 0.313 -8.660 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -2.683 -1.129 -10.906 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -0.881 -0.331 -9.508 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.349 -1.042 -10.623 1.00 0.00 C ATOM 0 H TRP A 88 -6.650 0.801 -6.478 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.012 -0.121 -5.763 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.058 2.381 -7.129 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.356 2.053 -6.872 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.395 0.544 -8.788 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.525 -0.825 -10.797 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.388 0.867 -7.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.039 -1.678 -11.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 0.180 -0.288 -9.311 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.639 -1.532 -11.273 1.00 0.00 H new ATOM 713 N VAL A 89 -3.189 1.706 -4.102 1.00 0.00 N ATOM 714 CA VAL A 89 -2.797 2.407 -2.876 1.00 0.00 C ATOM 715 C VAL A 89 -1.595 3.290 -3.184 1.00 0.00 C ATOM 716 O VAL A 89 -0.523 2.782 -3.511 1.00 0.00 O ATOM 717 CB VAL A 89 -2.439 1.419 -1.697 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.969 2.196 -0.435 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.627 0.485 -1.369 1.00 0.00 C ATOM 0 H VAL A 89 -2.396 1.357 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.647 3.002 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.610 0.795 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.730 1.489 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.083 2.782 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.764 2.862 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.350 -0.183 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.488 1.083 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.881 -0.104 -2.250 1.00 0.00 H new ATOM 729 N LEU A 90 -1.796 4.603 -3.073 1.00 0.00 N ATOM 730 CA LEU A 90 -0.752 5.598 -3.295 1.00 0.00 C ATOM 731 C LEU A 90 -0.091 5.931 -1.948 1.00 0.00 C ATOM 732 O LEU A 90 -0.643 6.693 -1.152 1.00 0.00 O ATOM 733 CB LEU A 90 -1.335 6.877 -3.951 1.00 0.00 C ATOM 734 CG LEU A 90 -0.305 8.021 -4.213 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.809 7.574 -5.193 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.014 9.301 -4.694 1.00 0.00 C ATOM 0 H LEU A 90 -2.698 5.008 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.006 5.193 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.796 6.601 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.128 7.264 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 90 0.184 8.253 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.507 8.397 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.342 6.721 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.363 7.289 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.275 10.082 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.550 9.094 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.720 9.634 -3.933 1.00 0.00 H new ATOM 748 N TYR A 91 1.056 5.303 -1.696 1.00 0.00 N ATOM 749 CA TYR A 91 1.920 5.625 -0.552 1.00 0.00 C ATOM 750 C TYR A 91 3.008 6.591 -1.032 1.00 0.00 C ATOM 751 O TYR A 91 3.678 6.319 -2.023 1.00 0.00 O ATOM 752 CB TYR A 91 2.563 4.341 0.048 1.00 0.00 C ATOM 753 CG TYR A 91 3.520 4.637 1.213 1.00 0.00 C ATOM 754 CD1 TYR A 91 3.029 5.084 2.441 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.908 4.499 1.079 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.878 5.388 3.486 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.757 4.795 2.128 1.00 0.00 C ATOM 758 CZ TYR A 91 5.240 5.242 3.328 1.00 0.00 C ATOM 759 OH TYR A 91 6.091 5.543 4.376 1.00 0.00 O ATOM 0 H TYR A 91 1.418 4.550 -2.282 1.00 0.00 H new ATOM 0 HA TYR A 91 1.323 6.086 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.774 3.674 0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.106 3.813 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.963 5.194 2.576 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.320 4.156 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.477 5.739 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.824 4.677 2.010 1.00 0.00 H new ATOM 0 HH TYR A 91 6.988 5.204 4.176 1.00 0.00 H new ATOM 769 N LYS A 92 3.133 7.746 -0.370 1.00 0.00 N ATOM 770 CA LYS A 92 4.232 8.702 -0.611 1.00 0.00 C ATOM 771 C LYS A 92 5.051 8.897 0.682 1.00 0.00 C ATOM 772 O LYS A 92 4.520 9.358 1.697 1.00 0.00 O ATOM 773 CB LYS A 92 3.649 10.045 -1.115 1.00 0.00 C ATOM 774 CG LYS A 92 2.860 9.940 -2.445 1.00 0.00 C ATOM 775 CD LYS A 92 2.295 11.297 -2.919 1.00 0.00 C ATOM 776 CE LYS A 92 1.273 11.896 -1.935 1.00 0.00 C ATOM 777 NZ LYS A 92 0.780 13.220 -2.384 1.00 0.00 N ATOM 0 H LYS A 92 2.477 8.050 0.350 1.00 0.00 H new ATOM 0 HA LYS A 92 4.901 8.310 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.991 10.453 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.465 10.756 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.513 9.535 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.039 9.234 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.117 12.000 -3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.822 11.168 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.430 11.213 -1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.732 11.995 -0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.095 13.588 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.580 13.880 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.319 13.123 -3.311 1.00 0.00 H new ATOM 791 N GLY A 93 6.336 8.521 0.622 1.00 0.00 N ATOM 792 CA GLY A 93 7.262 8.613 1.757 1.00 0.00 C ATOM 793 C GLY A 93 8.344 7.556 1.671 1.00 0.00 C ATOM 794 O GLY A 93 8.543 6.951 0.609 1.00 0.00 O ATOM 0 H GLY A 93 6.764 8.142 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.718 9.603 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.710 8.497 2.690 1.00 0.00 H new ATOM 798 N ALA A 94 9.049 7.330 2.794 1.00 0.00 N ATOM 799 CA ALA A 94 10.076 6.284 2.896 1.00 0.00 C ATOM 800 C ALA A 94 9.408 4.900 2.890 1.00 0.00 C ATOM 801 O ALA A 94 8.627 4.578 3.792 1.00 0.00 O ATOM 802 CB ALA A 94 10.926 6.479 4.166 1.00 0.00 C ATOM 0 H ALA A 94 8.922 7.867 3.652 1.00 0.00 H new ATOM 0 HA ALA A 94 10.742 6.355 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.680 5.694 4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.416 7.452 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.283 6.429 5.045 1.00 0.00 H new ATOM 808 N VAL A 95 9.691 4.123 1.842 1.00 0.00 N ATOM 809 CA VAL A 95 9.157 2.767 1.661 1.00 0.00 C ATOM 810 C VAL A 95 9.981 1.769 2.514 1.00 0.00 C ATOM 811 O VAL A 95 11.222 1.803 2.454 1.00 0.00 O ATOM 812 CB VAL A 95 9.192 2.347 0.138 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.550 0.958 -0.100 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.526 3.429 -0.743 1.00 0.00 C ATOM 0 H VAL A 95 10.305 4.420 1.084 1.00 0.00 H new ATOM 0 HA VAL A 95 8.118 2.751 1.990 1.00 0.00 H new ATOM 0 HB VAL A 95 10.239 2.264 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.597 0.712 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.091 0.204 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.509 0.979 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.561 3.120 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.488 3.559 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.059 4.372 -0.626 1.00 0.00 H new ATOM 824 N PRO A 96 9.313 0.885 3.336 1.00 0.00 N ATOM 825 CA PRO A 96 10.020 -0.131 4.149 1.00 0.00 C ATOM 826 C PRO A 96 10.816 -1.133 3.270 1.00 0.00 C ATOM 827 O PRO A 96 10.387 -1.475 2.167 1.00 0.00 O ATOM 828 CB PRO A 96 8.886 -0.827 4.958 1.00 0.00 C ATOM 829 CG PRO A 96 7.608 -0.492 4.249 1.00 0.00 C ATOM 830 CD PRO A 96 7.836 0.833 3.554 1.00 0.00 C ATOM 0 HA PRO A 96 10.775 0.312 4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.040 -1.905 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.866 -0.471 5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.349 -1.268 3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.780 -0.423 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.292 0.886 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.494 1.668 4.166 1.00 0.00 H new ATOM 838 N ASP A 97 11.980 -1.576 3.778 1.00 0.00 N ATOM 839 CA ASP A 97 12.902 -2.499 3.071 1.00 0.00 C ATOM 840 C ASP A 97 12.272 -3.902 2.893 1.00 0.00 C ATOM 841 O ASP A 97 12.579 -4.629 1.941 1.00 0.00 O ATOM 842 CB ASP A 97 14.235 -2.577 3.868 1.00 0.00 C ATOM 843 CG ASP A 97 15.301 -3.511 3.261 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.776 -3.245 2.133 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.684 -4.504 3.916 1.00 0.00 O ATOM 0 H ASP A 97 12.316 -1.303 4.702 1.00 0.00 H new ATOM 0 HA ASP A 97 13.098 -2.116 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.654 -1.574 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.016 -2.911 4.882 1.00 0.00 H new ATOM 850 N THR A 98 11.367 -4.242 3.818 1.00 0.00 N ATOM 851 CA THR A 98 10.618 -5.510 3.826 1.00 0.00 C ATOM 852 C THR A 98 9.440 -5.498 2.822 1.00 0.00 C ATOM 853 O THR A 98 8.861 -6.553 2.525 1.00 0.00 O ATOM 854 CB THR A 98 10.087 -5.782 5.262 1.00 0.00 C ATOM 855 OG1 THR A 98 9.425 -4.603 5.749 1.00 0.00 O ATOM 856 CG2 THR A 98 11.218 -6.156 6.225 1.00 0.00 C ATOM 0 H THR A 98 11.128 -3.632 4.600 1.00 0.00 H new ATOM 0 HA THR A 98 11.298 -6.304 3.518 1.00 0.00 H new ATOM 0 HB THR A 98 9.394 -6.622 5.213 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.532 -4.840 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.806 -6.338 7.217 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.717 -7.057 5.868 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.938 -5.339 6.276 1.00 0.00 H new ATOM 864 N PHE A 99 9.083 -4.293 2.335 1.00 0.00 N ATOM 865 CA PHE A 99 8.041 -4.120 1.308 1.00 0.00 C ATOM 866 C PHE A 99 8.548 -4.701 -0.015 1.00 0.00 C ATOM 867 O PHE A 99 9.563 -4.250 -0.554 1.00 0.00 O ATOM 868 CB PHE A 99 7.653 -2.629 1.152 1.00 0.00 C ATOM 869 CG PHE A 99 6.561 -2.353 0.116 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.215 -2.401 0.466 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.885 -2.047 -1.205 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.234 -2.150 -0.470 1.00 0.00 C ATOM 873 CE2 PHE A 99 5.904 -1.802 -2.134 1.00 0.00 C ATOM 874 CZ PHE A 99 4.579 -1.855 -1.770 1.00 0.00 C ATOM 0 H PHE A 99 9.507 -3.418 2.642 1.00 0.00 H new ATOM 0 HA PHE A 99 7.141 -4.653 1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.320 -2.252 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.544 -2.063 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.936 -2.637 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.922 -2.002 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.193 -2.185 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.174 -1.567 -3.153 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.809 -1.665 -2.503 1.00 0.00 H new ATOM 884 N LYS A 100 7.818 -5.690 -0.518 1.00 0.00 N ATOM 885 CA LYS A 100 8.187 -6.467 -1.702 1.00 0.00 C ATOM 886 C LYS A 100 6.892 -6.988 -2.379 1.00 0.00 C ATOM 887 O LYS A 100 5.829 -7.005 -1.743 1.00 0.00 O ATOM 888 CB LYS A 100 9.122 -7.646 -1.281 1.00 0.00 C ATOM 889 CG LYS A 100 8.480 -8.631 -0.285 1.00 0.00 C ATOM 890 CD LYS A 100 9.389 -9.814 0.099 1.00 0.00 C ATOM 891 CE LYS A 100 8.740 -10.711 1.167 1.00 0.00 C ATOM 892 NZ LYS A 100 9.606 -11.856 1.532 1.00 0.00 N ATOM 0 H LYS A 100 6.932 -5.983 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 100 8.729 -5.846 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.424 -8.193 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.029 -7.236 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.204 -8.089 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.558 -9.020 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.608 -10.407 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.340 -9.435 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.528 -10.119 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.785 -11.083 0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.131 -12.434 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.788 -12.436 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.508 -11.502 1.910 1.00 0.00 H new ATOM 906 N PRO A 101 6.943 -7.394 -3.684 1.00 0.00 N ATOM 907 CA PRO A 101 5.778 -8.006 -4.362 1.00 0.00 C ATOM 908 C PRO A 101 5.443 -9.386 -3.744 1.00 0.00 C ATOM 909 O PRO A 101 6.236 -10.333 -3.841 1.00 0.00 O ATOM 910 CB PRO A 101 6.246 -8.101 -5.839 1.00 0.00 C ATOM 911 CG PRO A 101 7.735 -8.171 -5.758 1.00 0.00 C ATOM 912 CD PRO A 101 8.108 -7.274 -4.609 1.00 0.00 C ATOM 0 HA PRO A 101 4.855 -7.436 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.834 -8.983 -6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.921 -7.234 -6.415 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.073 -9.193 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.197 -7.835 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.034 -7.596 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.258 -6.245 -4.935 1.00 0.00 H new ATOM 920 N GLY A 102 4.295 -9.465 -3.050 1.00 0.00 N ATOM 921 CA GLY A 102 3.822 -10.711 -2.444 1.00 0.00 C ATOM 922 C GLY A 102 3.733 -10.661 -0.922 1.00 0.00 C ATOM 923 O GLY A 102 3.160 -11.571 -0.312 1.00 0.00 O ATOM 0 H GLY A 102 3.675 -8.669 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.838 -10.950 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.491 -11.521 -2.733 1.00 0.00 H new ATOM 927 N VAL A 103 4.305 -9.610 -0.293 1.00 0.00 N ATOM 928 CA VAL A 103 4.232 -9.438 1.182 1.00 0.00 C ATOM 929 C VAL A 103 2.864 -8.842 1.577 1.00 0.00 C ATOM 930 O VAL A 103 2.257 -8.099 0.800 1.00 0.00 O ATOM 931 CB VAL A 103 5.399 -8.522 1.740 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.196 -7.022 1.395 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.608 -8.723 3.264 1.00 0.00 C ATOM 0 H VAL A 103 4.819 -8.872 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 103 4.349 -10.425 1.629 1.00 0.00 H new ATOM 0 HB VAL A 103 6.309 -8.843 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.024 -6.440 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.162 -6.899 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.259 -6.672 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.416 -8.078 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.690 -8.469 3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.865 -9.764 3.462 1.00 0.00 H new ATOM 943 N GLU A 104 2.382 -9.193 2.770 1.00 0.00 N ATOM 944 CA GLU A 104 1.191 -8.577 3.358 1.00 0.00 C ATOM 945 C GLU A 104 1.580 -7.268 4.050 1.00 0.00 C ATOM 946 O GLU A 104 2.641 -7.179 4.664 1.00 0.00 O ATOM 947 CB GLU A 104 0.503 -9.544 4.348 1.00 0.00 C ATOM 948 CG GLU A 104 -0.120 -10.793 3.691 1.00 0.00 C ATOM 949 CD GLU A 104 -0.986 -11.607 4.663 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.959 -11.037 5.208 1.00 0.00 O ATOM 951 OE2 GLU A 104 -0.687 -12.799 4.914 1.00 0.00 O ATOM 0 H GLU A 104 2.806 -9.912 3.356 1.00 0.00 H new ATOM 0 HA GLU A 104 0.476 -8.357 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.234 -9.865 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.277 -9.002 4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.728 -10.485 2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.676 -11.428 3.301 1.00 0.00 H new ATOM 958 N VAL A 105 0.712 -6.254 3.917 1.00 0.00 N ATOM 959 CA VAL A 105 0.914 -4.913 4.495 1.00 0.00 C ATOM 960 C VAL A 105 -0.321 -4.435 5.278 1.00 0.00 C ATOM 961 O VAL A 105 -1.406 -5.034 5.208 1.00 0.00 O ATOM 962 CB VAL A 105 1.283 -3.846 3.389 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.678 -4.128 2.783 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.193 -3.756 2.287 1.00 0.00 C ATOM 0 H VAL A 105 -0.162 -6.341 3.399 1.00 0.00 H new ATOM 0 HA VAL A 105 1.752 -5.003 5.186 1.00 0.00 H new ATOM 0 HB VAL A 105 1.324 -2.873 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.904 -3.378 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.431 -4.088 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.683 -5.118 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.485 -3.011 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.084 -4.726 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.757 -3.467 2.737 1.00 0.00 H new ATOM 974 N ILE A 106 -0.103 -3.336 6.024 1.00 0.00 N ATOM 975 CA ILE A 106 -1.092 -2.624 6.832 1.00 0.00 C ATOM 976 C ILE A 106 -0.922 -1.130 6.501 1.00 0.00 C ATOM 977 O ILE A 106 0.188 -0.592 6.646 1.00 0.00 O ATOM 978 CB ILE A 106 -0.846 -2.835 8.378 1.00 0.00 C ATOM 979 CG1 ILE A 106 -0.844 -4.355 8.755 1.00 0.00 C ATOM 980 CG2 ILE A 106 -1.873 -2.037 9.230 1.00 0.00 C ATOM 981 CD1 ILE A 106 -0.458 -4.656 10.197 1.00 0.00 C ATOM 0 H ILE A 106 0.819 -2.903 6.077 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.092 -2.995 6.608 1.00 0.00 H new ATOM 0 HB ILE A 106 0.144 -2.442 8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.837 -4.763 8.567 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.154 -4.878 8.093 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.675 -2.204 10.289 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.782 -0.974 9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.882 -2.373 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.485 -5.733 10.364 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.548 -4.284 10.389 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.161 -4.167 10.871 1.00 0.00 H new ATOM 993 N ILE A 107 -1.992 -0.482 6.041 1.00 0.00 N ATOM 994 CA ILE A 107 -1.984 0.945 5.658 1.00 0.00 C ATOM 995 C ILE A 107 -3.070 1.698 6.435 1.00 0.00 C ATOM 996 O ILE A 107 -4.162 1.174 6.639 1.00 0.00 O ATOM 997 CB ILE A 107 -2.229 1.121 4.107 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.534 0.382 3.666 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.010 0.629 3.288 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -3.870 0.488 2.198 1.00 0.00 C ATOM 0 H ILE A 107 -2.901 -0.929 5.920 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.004 1.355 5.901 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.356 2.185 3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.440 -0.673 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.369 0.779 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.208 0.763 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.128 1.204 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.835 -0.427 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -4.792 -0.058 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.002 1.536 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.059 0.062 1.607 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.745 2.909 6.884 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.711 3.865 7.453 1.00 0.00 C ATOM 1014 C GLU A 108 -3.755 5.050 6.487 1.00 0.00 C ATOM 1015 O GLU A 108 -2.699 5.507 6.067 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.248 4.324 8.865 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.224 5.254 9.610 1.00 0.00 C ATOM 1018 CD GLU A 108 -5.524 4.544 10.023 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -5.499 3.782 11.014 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -6.572 4.749 9.381 1.00 0.00 O ATOM 0 H GLU A 108 -1.789 3.265 6.865 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.697 3.416 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.076 3.439 9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.290 4.834 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.734 5.651 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.466 6.105 8.973 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.953 5.515 6.110 1.00 0.00 N ATOM 1028 CA GLY A 109 -5.088 6.639 5.172 1.00 0.00 C ATOM 1029 C GLY A 109 -6.538 6.869 4.766 1.00 0.00 C ATOM 1030 O GLY A 109 -7.435 6.663 5.569 1.00 0.00 O ATOM 0 H GLY A 109 -5.840 5.133 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.692 7.545 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.489 6.444 4.283 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.780 7.241 3.496 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.134 7.551 3.023 1.00 0.00 C ATOM 1036 C GLY A 110 -8.266 7.443 1.509 1.00 0.00 C ATOM 1037 O GLY A 110 -7.379 7.890 0.769 1.00 0.00 O ATOM 0 H GLY A 110 -6.056 7.333 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.844 6.872 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.402 8.560 3.336 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.366 6.822 1.065 1.00 0.00 N ATOM 1042 CA LEU A 111 -9.759 6.742 -0.353 1.00 0.00 C ATOM 1043 C LEU A 111 -10.709 7.909 -0.674 1.00 0.00 C ATOM 1044 O LEU A 111 -11.631 8.195 0.098 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.444 5.371 -0.648 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.025 5.166 -2.091 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.941 5.296 -3.180 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.757 3.813 -2.210 1.00 0.00 C ATOM 0 H LEU A 111 -10.021 6.352 1.690 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.874 6.816 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.717 4.581 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.255 5.236 0.067 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.748 5.965 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.391 5.146 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.495 6.290 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.169 4.544 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.149 3.699 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.060 3.002 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.580 3.781 -1.496 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.459 8.578 -1.807 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.277 9.709 -2.274 1.00 0.00 C ATOM 1062 C ALA A 112 -12.451 9.198 -3.156 1.00 0.00 C ATOM 1063 O ALA A 112 -12.290 8.187 -3.851 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.384 10.710 -3.028 1.00 0.00 C ATOM 0 H ALA A 112 -9.682 8.351 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.717 10.224 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.989 11.548 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.604 11.077 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.925 10.215 -3.884 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.654 9.875 -3.122 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.849 9.440 -3.898 1.00 0.00 C ATOM 1072 C PRO A 113 -14.634 9.568 -5.420 1.00 0.00 C ATOM 1073 O PRO A 113 -14.371 10.664 -5.919 1.00 0.00 O ATOM 1074 CB PRO A 113 -15.991 10.387 -3.400 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.454 11.009 -2.142 1.00 0.00 C ATOM 1076 CD PRO A 113 -13.956 11.094 -2.326 1.00 0.00 C ATOM 0 HA PRO A 113 -15.077 8.386 -3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.229 11.146 -4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.909 9.832 -3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.884 11.998 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.706 10.406 -1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.664 12.003 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.430 11.095 -1.371 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.736 8.445 -6.142 1.00 0.00 N ATOM 1085 CA GLY A 114 -14.510 8.416 -7.591 1.00 0.00 C ATOM 1086 C GLY A 114 -13.057 8.147 -7.961 1.00 0.00 C ATOM 1087 O GLY A 114 -12.687 8.245 -9.134 1.00 0.00 O ATOM 0 H GLY A 114 -14.976 7.538 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.141 7.647 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.818 9.369 -8.020 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.223 7.830 -6.954 1.00 0.00 N ATOM 1092 CA GLU A 115 -10.829 7.396 -7.155 1.00 0.00 C ATOM 1093 C GLU A 115 -10.727 5.876 -7.024 1.00 0.00 C ATOM 1094 O GLU A 115 -11.513 5.246 -6.310 1.00 0.00 O ATOM 1095 CB GLU A 115 -9.883 8.075 -6.128 1.00 0.00 C ATOM 1096 CG GLU A 115 -9.622 9.568 -6.376 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.860 9.837 -7.682 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -7.763 9.263 -7.868 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -9.351 10.610 -8.533 1.00 0.00 O ATOM 0 H GLU A 115 -12.499 7.868 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.523 7.694 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.308 7.956 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.928 7.549 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.574 10.098 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.053 9.975 -5.540 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.749 5.302 -7.728 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.401 3.866 -7.640 1.00 0.00 C ATOM 1108 C ASP A 116 -8.079 3.694 -6.867 1.00 0.00 C ATOM 1109 O ASP A 116 -7.475 2.621 -6.890 1.00 0.00 O ATOM 1110 CB ASP A 116 -9.295 3.250 -9.070 1.00 0.00 C ATOM 1111 CG ASP A 116 -8.173 3.870 -9.928 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -8.402 4.936 -10.527 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -7.059 3.305 -10.002 1.00 0.00 O ATOM 0 H ASP A 116 -9.165 5.819 -8.385 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.187 3.338 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.123 2.177 -8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.248 3.380 -9.584 1.00 0.00 H new ATOM 1118 N THR A 117 -7.663 4.749 -6.133 1.00 0.00 N ATOM 1119 CA THR A 117 -6.370 4.778 -5.443 1.00 0.00 C ATOM 1120 C THR A 117 -6.555 5.317 -4.000 1.00 0.00 C ATOM 1121 O THR A 117 -6.935 6.481 -3.775 1.00 0.00 O ATOM 1122 CB THR A 117 -5.279 5.571 -6.244 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.000 5.456 -5.596 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.622 7.051 -6.451 1.00 0.00 C ATOM 0 H THR A 117 -8.216 5.597 -6.007 1.00 0.00 H new ATOM 0 HA THR A 117 -5.995 3.756 -5.380 1.00 0.00 H new ATOM 0 HB THR A 117 -5.243 5.116 -7.234 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.956 6.084 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.822 7.535 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.556 7.134 -7.006 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.731 7.538 -5.482 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.355 4.418 -3.039 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.394 4.696 -1.612 1.00 0.00 C ATOM 1134 C PHE A 118 -5.111 5.441 -1.230 1.00 0.00 C ATOM 1135 O PHE A 118 -4.019 4.867 -1.239 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.516 3.354 -0.838 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.660 3.494 0.679 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.539 3.558 1.512 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.917 3.546 1.269 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.682 3.669 2.880 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -8.055 3.658 2.635 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.937 3.716 3.438 1.00 0.00 C ATOM 0 H PHE A 118 -6.154 3.439 -3.245 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.253 5.317 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.378 2.808 -1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.635 2.748 -1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.550 3.520 1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.799 3.498 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -4.808 3.719 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -9.040 3.700 3.077 1.00 0.00 H new ATOM 0 HZ PHE A 118 -7.047 3.799 4.509 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.259 6.723 -0.915 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.133 7.598 -0.601 1.00 0.00 C ATOM 1154 C LYS A 119 -3.680 7.299 0.834 1.00 0.00 C ATOM 1155 O LYS A 119 -4.332 7.715 1.799 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.543 9.076 -0.793 1.00 0.00 C ATOM 1157 CG LYS A 119 -5.070 9.394 -2.212 1.00 0.00 C ATOM 1158 CD LYS A 119 -5.514 10.869 -2.408 1.00 0.00 C ATOM 1159 CE LYS A 119 -6.739 11.288 -1.562 1.00 0.00 C ATOM 1160 NZ LYS A 119 -6.415 11.521 -0.129 1.00 0.00 N ATOM 0 H LYS A 119 -6.166 7.187 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.296 7.415 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.313 9.328 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.684 9.713 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.291 9.161 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.914 8.740 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.677 11.523 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.744 11.029 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.168 12.198 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.503 10.513 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.793 10.739 0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.383 11.570 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.842 12.416 0.182 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.618 6.485 0.952 1.00 0.00 N ATOM 1175 CA ALA A 120 -2.067 6.050 2.240 1.00 0.00 C ATOM 1176 C ALA A 120 -1.375 7.208 2.976 1.00 0.00 C ATOM 1177 O ALA A 120 -1.063 8.253 2.392 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.090 4.875 2.036 1.00 0.00 C ATOM 0 H ALA A 120 -2.116 6.109 0.148 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.896 5.713 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.689 4.563 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.617 4.040 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.272 5.190 1.388 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.161 6.988 4.269 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.500 7.924 5.186 1.00 0.00 C ATOM 1186 C ARG A 121 0.670 7.189 5.855 1.00 0.00 C ATOM 1187 O ARG A 121 1.730 7.771 6.090 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.530 8.435 6.231 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.985 9.452 7.258 1.00 0.00 C ATOM 1190 CD ARG A 121 -2.082 9.982 8.196 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.580 11.002 9.134 1.00 0.00 N ATOM 1192 CZ ARG A 121 -2.335 11.657 10.032 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -3.633 11.425 10.132 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -1.783 12.554 10.823 1.00 0.00 N ATOM 0 H ARG A 121 -1.451 6.125 4.728 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.113 8.792 4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.364 8.893 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.929 7.577 6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.200 8.981 7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.527 10.288 6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.890 10.407 7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.505 9.151 8.761 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.586 11.227 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.077 10.739 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.190 11.932 10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.784 12.750 10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.354 13.053 11.505 1.00 0.00 H new ATOM 1208 N THR A 122 0.457 5.890 6.139 1.00 0.00 N ATOM 1209 CA THR A 122 1.484 4.980 6.685 1.00 0.00 C ATOM 1210 C THR A 122 1.492 3.661 5.884 1.00 0.00 C ATOM 1211 O THR A 122 0.542 3.367 5.143 1.00 0.00 O ATOM 1212 CB THR A 122 1.249 4.684 8.205 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.093 4.219 8.410 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.513 5.925 9.083 1.00 0.00 C ATOM 0 H THR A 122 -0.445 5.436 5.994 1.00 0.00 H new ATOM 0 HA THR A 122 2.452 5.472 6.591 1.00 0.00 H new ATOM 0 HB THR A 122 1.958 3.912 8.503 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.233 4.034 9.362 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.338 5.674 10.129 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.546 6.248 8.955 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.842 6.731 8.786 1.00 0.00 H new ATOM 1222 N LEU A 123 2.574 2.884 6.050 1.00 0.00 N ATOM 1223 CA LEU A 123 2.795 1.605 5.358 1.00 0.00 C ATOM 1224 C LEU A 123 3.772 0.759 6.186 1.00 0.00 C ATOM 1225 O LEU A 123 4.914 1.166 6.410 1.00 0.00 O ATOM 1226 CB LEU A 123 3.381 1.844 3.937 1.00 0.00 C ATOM 1227 CG LEU A 123 3.701 0.579 3.071 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.426 -0.215 2.743 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.474 0.961 1.785 1.00 0.00 C ATOM 0 H LEU A 123 3.335 3.133 6.682 1.00 0.00 H new ATOM 0 HA LEU A 123 1.843 1.084 5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.677 2.464 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.299 2.421 4.043 1.00 0.00 H new ATOM 0 HG LEU A 123 4.346 -0.070 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.685 -1.086 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.952 -0.541 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.736 0.419 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.682 0.062 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.872 1.647 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.413 1.444 2.055 1.00 0.00 H new ATOM 1241 N MET A 124 3.306 -0.403 6.651 1.00 0.00 N ATOM 1242 CA MET A 124 4.139 -1.383 7.372 1.00 0.00 C ATOM 1243 C MET A 124 3.788 -2.777 6.850 1.00 0.00 C ATOM 1244 O MET A 124 2.658 -3.010 6.441 1.00 0.00 O ATOM 1245 CB MET A 124 3.893 -1.280 8.908 1.00 0.00 C ATOM 1246 CG MET A 124 2.519 -1.786 9.386 1.00 0.00 C ATOM 1247 SD MET A 124 2.123 -1.331 11.089 1.00 0.00 S ATOM 1248 CE MET A 124 1.837 0.432 10.928 1.00 0.00 C ATOM 0 H MET A 124 2.336 -0.697 6.540 1.00 0.00 H new ATOM 0 HA MET A 124 5.196 -1.182 7.200 1.00 0.00 H new ATOM 0 HB2 MET A 124 4.670 -1.845 9.423 1.00 0.00 H new ATOM 0 HB3 MET A 124 4.004 -0.238 9.209 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.747 -1.390 8.726 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.491 -2.872 9.294 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.316 0.798 11.812 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.792 0.948 10.830 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.229 0.623 10.044 1.00 0.00 H new ATOM 1258 N THR A 125 4.757 -3.676 6.826 1.00 0.00 N ATOM 1259 CA THR A 125 4.535 -5.071 6.423 1.00 0.00 C ATOM 1260 C THR A 125 4.203 -5.931 7.649 1.00 0.00 C ATOM 1261 O THR A 125 4.775 -5.723 8.725 1.00 0.00 O ATOM 1262 CB THR A 125 5.796 -5.624 5.696 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.931 -5.523 6.568 1.00 0.00 O ATOM 1264 CG2 THR A 125 6.083 -4.861 4.389 1.00 0.00 C ATOM 0 H THR A 125 5.722 -3.469 7.083 1.00 0.00 H new ATOM 0 HA THR A 125 3.691 -5.109 5.735 1.00 0.00 H new ATOM 0 HB THR A 125 5.606 -6.666 5.440 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.625 -5.406 7.492 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.970 -5.277 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.231 -4.958 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.251 -3.807 4.612 1.00 0.00 H new ATOM 1272 N LYS A 126 3.288 -6.905 7.483 1.00 0.00 N ATOM 1273 CA LYS A 126 2.915 -7.849 8.552 1.00 0.00 C ATOM 1274 C LYS A 126 4.091 -8.797 8.855 1.00 0.00 C ATOM 1275 O LYS A 126 4.244 -9.271 9.982 1.00 0.00 O ATOM 1276 CB LYS A 126 1.665 -8.676 8.158 1.00 0.00 C ATOM 1277 CG LYS A 126 0.401 -7.847 7.813 1.00 0.00 C ATOM 1278 CD LYS A 126 -0.884 -8.714 7.799 1.00 0.00 C ATOM 1279 CE LYS A 126 -2.123 -7.961 7.286 1.00 0.00 C ATOM 1280 NZ LYS A 126 -2.075 -7.753 5.813 1.00 0.00 N ATOM 0 H LYS A 126 2.789 -7.059 6.607 1.00 0.00 H new ATOM 0 HA LYS A 126 2.676 -7.270 9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.917 -9.297 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.423 -9.351 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.287 -7.043 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.531 -7.378 6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.715 -9.590 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.080 -9.076 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.021 -8.521 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.194 -6.996 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.902 -7.198 5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.205 -7.240 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.084 -8.675 5.332 1.00 0.00 H new