USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 84 THR OG1 : rot -28:sc= 0.553 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= -0.277 (180deg=-0.718) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc=-0.00725 (180deg=-0.443) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HE2:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 102 TYR OH : rot 76:sc= 1.07 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 150:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0821) USER MOD Single : A 120 SER OG : rot 84:sc= 0.159 USER MOD Single : A 126 MET CE :methyl 156:sc= 0 (180deg=-0.547) USER MOD Single : A 134 LYS NZ :NH3+ -151:sc= -0.128 (180deg=-1.19) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 150:sc=-0.00505 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.838 -6.096 6.256 1.00 0.00 N ATOM 188 CA THR A 84 9.046 -7.531 6.111 1.00 0.00 C ATOM 189 C THR A 84 9.400 -7.893 4.674 1.00 0.00 C ATOM 190 O THR A 84 9.660 -9.056 4.362 1.00 0.00 O ATOM 191 CB THR A 84 7.796 -8.325 6.536 1.00 0.00 C ATOM 192 OG1 THR A 84 8.088 -9.727 6.551 1.00 0.00 O ATOM 193 CG2 THR A 84 6.636 -8.054 5.590 1.00 0.00 C ATOM 0 HA THR A 84 9.877 -7.798 6.764 1.00 0.00 H new ATOM 0 HB THR A 84 7.511 -8.003 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.800 -9.920 5.906 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.765 -8.625 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.397 -6.991 5.602 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.914 -8.352 4.579 1.00 0.00 H new ATOM 201 N PHE A 85 9.409 -6.891 3.801 1.00 0.00 N ATOM 202 CA PHE A 85 9.732 -7.105 2.395 1.00 0.00 C ATOM 203 C PHE A 85 8.841 -8.186 1.791 1.00 0.00 C ATOM 204 O PHE A 85 9.312 -9.052 1.054 1.00 0.00 O ATOM 205 CB PHE A 85 11.203 -7.496 2.241 1.00 0.00 C ATOM 206 CG PHE A 85 11.623 -7.701 0.814 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.787 -7.333 -0.228 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.854 -8.262 0.514 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.170 -7.519 -1.543 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.243 -8.450 -0.799 1.00 0.00 C ATOM 211 CZ PHE A 85 12.400 -8.080 -1.828 1.00 0.00 C ATOM 0 H PHE A 85 9.196 -5.923 4.042 1.00 0.00 H new ATOM 0 HA PHE A 85 9.554 -6.172 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.825 -6.720 2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.387 -8.413 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.824 -6.895 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.517 -8.556 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.509 -7.227 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.206 -8.886 -1.020 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.702 -8.229 -2.854 1.00 0.00 H new ATOM 221 N GLU A 86 7.552 -8.129 2.110 1.00 0.00 N ATOM 222 CA GLU A 86 6.595 -9.104 1.599 1.00 0.00 C ATOM 223 C GLU A 86 5.467 -8.413 0.839 1.00 0.00 C ATOM 224 O GLU A 86 4.755 -9.043 0.055 1.00 0.00 O ATOM 225 CB GLU A 86 6.017 -9.934 2.748 1.00 0.00 C ATOM 226 CG GLU A 86 7.040 -10.830 3.426 1.00 0.00 C ATOM 227 CD GLU A 86 6.415 -11.758 4.449 1.00 0.00 C ATOM 228 OE1 GLU A 86 5.492 -11.317 5.164 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.850 -12.926 4.535 1.00 0.00 O ATOM 0 H GLU A 86 7.146 -7.419 2.719 1.00 0.00 H new ATOM 0 HA GLU A 86 7.121 -9.765 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.587 -9.262 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.203 -10.550 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.556 -11.423 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.793 -10.211 3.914 1.00 0.00 H new ATOM 236 N LEU A 87 5.309 -7.116 1.076 1.00 0.00 N ATOM 237 CA LEU A 87 4.268 -6.338 0.415 1.00 0.00 C ATOM 238 C LEU A 87 4.106 -6.770 -1.039 1.00 0.00 C ATOM 239 O LEU A 87 2.997 -6.782 -1.575 1.00 0.00 O ATOM 240 CB LEU A 87 4.598 -4.846 0.481 1.00 0.00 C ATOM 241 CG LEU A 87 5.263 -4.363 1.770 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.705 -5.110 2.972 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.773 -4.533 1.688 1.00 0.00 C ATOM 0 H LEU A 87 5.889 -6.580 1.722 1.00 0.00 H new ATOM 0 HA LEU A 87 3.328 -6.519 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.253 -4.602 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.675 -4.283 0.339 1.00 0.00 H new ATOM 0 HG LEU A 87 5.043 -3.303 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.191 -4.752 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.631 -4.936 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.893 -6.177 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.229 -4.184 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.013 -5.586 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.160 -3.951 0.851 1.00 0.00 H new ATOM 255 N LYS A 88 5.218 -7.127 -1.672 1.00 0.00 N ATOM 256 CA LYS A 88 5.201 -7.564 -3.063 1.00 0.00 C ATOM 257 C LYS A 88 4.089 -8.581 -3.300 1.00 0.00 C ATOM 258 O LYS A 88 3.962 -9.559 -2.565 1.00 0.00 O ATOM 259 CB LYS A 88 6.552 -8.171 -3.445 1.00 0.00 C ATOM 260 CG LYS A 88 6.877 -8.051 -4.924 1.00 0.00 C ATOM 261 CD LYS A 88 8.075 -8.906 -5.304 1.00 0.00 C ATOM 262 CE LYS A 88 9.384 -8.182 -5.032 1.00 0.00 C ATOM 263 NZ LYS A 88 10.564 -9.016 -5.390 1.00 0.00 N ATOM 0 H LYS A 88 6.144 -7.122 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 88 5.012 -6.692 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.337 -7.681 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.560 -9.224 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.011 -8.354 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.081 -7.009 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.050 -9.839 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.016 -9.169 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.410 -7.253 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.437 -7.912 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.437 -8.487 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.553 -9.891 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.527 -9.253 -6.402 1.00 0.00 H new ATOM 277 N GLY A 89 3.286 -8.344 -4.334 1.00 0.00 N ATOM 278 CA GLY A 89 2.197 -9.249 -4.650 1.00 0.00 C ATOM 279 C GLY A 89 0.945 -8.952 -3.848 1.00 0.00 C ATOM 280 O GLY A 89 -0.170 -9.077 -4.355 1.00 0.00 O ATOM 0 H GLY A 89 3.371 -7.541 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.968 -9.180 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.513 -10.274 -4.458 1.00 0.00 H new ATOM 284 N LYS A 90 1.128 -8.559 -2.592 1.00 0.00 N ATOM 285 CA LYS A 90 0.005 -8.243 -1.717 1.00 0.00 C ATOM 286 C LYS A 90 -0.735 -7.003 -2.208 1.00 0.00 C ATOM 287 O LYS A 90 -0.172 -6.174 -2.922 1.00 0.00 O ATOM 288 CB LYS A 90 0.495 -8.025 -0.284 1.00 0.00 C ATOM 289 CG LYS A 90 1.023 -9.286 0.378 1.00 0.00 C ATOM 290 CD LYS A 90 2.023 -8.962 1.475 1.00 0.00 C ATOM 291 CE LYS A 90 2.499 -10.221 2.183 1.00 0.00 C ATOM 292 NZ LYS A 90 3.194 -11.152 1.252 1.00 0.00 N ATOM 0 H LYS A 90 2.044 -8.452 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.686 -9.086 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.282 -7.271 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.324 -7.627 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.192 -9.853 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.496 -9.921 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.878 -8.439 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.566 -8.287 2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.174 -9.948 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.646 -10.728 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.677 -11.893 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.498 -11.590 0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.893 -10.624 0.691 1.00 0.00 H new ATOM 306 N VAL A 91 -2.000 -6.882 -1.819 1.00 0.00 N ATOM 307 CA VAL A 91 -2.817 -5.742 -2.217 1.00 0.00 C ATOM 308 C VAL A 91 -3.180 -4.879 -1.014 1.00 0.00 C ATOM 309 O VAL A 91 -3.503 -5.392 0.057 1.00 0.00 O ATOM 310 CB VAL A 91 -4.111 -6.196 -2.918 1.00 0.00 C ATOM 311 CG1 VAL A 91 -4.938 -7.077 -1.995 1.00 0.00 C ATOM 312 CG2 VAL A 91 -4.916 -4.991 -3.381 1.00 0.00 C ATOM 0 H VAL A 91 -2.482 -7.560 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.221 -5.155 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.841 -6.784 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.848 -7.388 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.359 -7.958 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.200 -6.518 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.827 -5.330 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.177 -4.375 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.322 -4.403 -4.081 1.00 0.00 H new ATOM 322 N GLY A 92 -3.125 -3.563 -1.197 1.00 0.00 N ATOM 323 CA GLY A 92 -3.451 -2.649 -0.118 1.00 0.00 C ATOM 324 C GLY A 92 -4.501 -1.631 -0.518 1.00 0.00 C ATOM 325 O GLY A 92 -5.150 -1.772 -1.554 1.00 0.00 O ATOM 0 H GLY A 92 -2.860 -3.114 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.809 -3.218 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.547 -2.129 0.199 1.00 0.00 H new ATOM 329 N LYS A 93 -4.670 -0.604 0.307 1.00 0.00 N ATOM 330 CA LYS A 93 -5.649 0.442 0.036 1.00 0.00 C ATOM 331 C LYS A 93 -5.010 1.824 0.130 1.00 0.00 C ATOM 332 O LYS A 93 -4.376 2.158 1.131 1.00 0.00 O ATOM 333 CB LYS A 93 -6.819 0.342 1.018 1.00 0.00 C ATOM 334 CG LYS A 93 -7.974 1.270 0.685 1.00 0.00 C ATOM 335 CD LYS A 93 -7.820 2.619 1.367 1.00 0.00 C ATOM 336 CE LYS A 93 -8.508 2.639 2.724 1.00 0.00 C ATOM 337 NZ LYS A 93 -7.588 2.224 3.819 1.00 0.00 N ATOM 0 H LYS A 93 -4.141 -0.473 1.170 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.021 0.301 -0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.182 -0.686 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.460 0.568 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.029 1.411 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.912 0.810 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.761 2.846 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.241 3.399 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.883 3.642 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.371 1.974 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.975 2.533 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.490 1.189 3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.655 2.660 3.673 1.00 0.00 H new ATOM 351 N VAL A 94 -5.182 2.623 -0.918 1.00 0.00 N ATOM 352 CA VAL A 94 -4.624 3.970 -0.951 1.00 0.00 C ATOM 353 C VAL A 94 -5.281 4.864 0.094 1.00 0.00 C ATOM 354 O VAL A 94 -6.503 5.013 0.119 1.00 0.00 O ATOM 355 CB VAL A 94 -4.793 4.613 -2.341 1.00 0.00 C ATOM 356 CG1 VAL A 94 -3.766 4.058 -3.315 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.206 4.394 -2.860 1.00 0.00 C ATOM 0 H VAL A 94 -5.703 2.361 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.561 3.878 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.626 5.686 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.901 4.524 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.763 4.272 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.897 2.980 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.308 4.854 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.403 3.325 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.920 4.846 -2.172 1.00 0.00 H new ATOM 367 N VAL A 95 -4.462 5.457 0.956 1.00 0.00 N ATOM 368 CA VAL A 95 -4.963 6.339 2.004 1.00 0.00 C ATOM 369 C VAL A 95 -4.883 7.800 1.578 1.00 0.00 C ATOM 370 O VAL A 95 -5.698 8.625 1.991 1.00 0.00 O ATOM 371 CB VAL A 95 -4.178 6.154 3.316 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.421 4.769 3.894 1.00 0.00 C ATOM 373 CG2 VAL A 95 -2.693 6.391 3.086 1.00 0.00 C ATOM 0 H VAL A 95 -3.448 5.343 0.950 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.006 6.070 2.172 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.533 6.890 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.858 4.658 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.484 4.641 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.095 4.014 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.154 6.256 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.321 5.680 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.539 7.407 2.722 1.00 0.00 H new ATOM 383 N LYS A 96 -3.895 8.115 0.747 1.00 0.00 N ATOM 384 CA LYS A 96 -3.707 9.477 0.262 1.00 0.00 C ATOM 385 C LYS A 96 -2.800 9.498 -0.964 1.00 0.00 C ATOM 386 O LYS A 96 -2.023 8.569 -1.188 1.00 0.00 O ATOM 387 CB LYS A 96 -3.113 10.356 1.365 1.00 0.00 C ATOM 388 CG LYS A 96 -3.505 11.819 1.254 1.00 0.00 C ATOM 389 CD LYS A 96 -3.026 12.618 2.455 1.00 0.00 C ATOM 390 CE LYS A 96 -3.152 14.114 2.216 1.00 0.00 C ATOM 391 NZ LYS A 96 -4.573 14.560 2.229 1.00 0.00 N ATOM 0 H LYS A 96 -3.212 7.445 0.395 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.682 9.872 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.434 9.975 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.026 10.276 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.082 12.242 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.589 11.901 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.607 12.339 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.986 12.369 2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.595 14.652 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.700 14.368 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.616 15.586 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.099 14.065 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.997 14.341 3.153 1.00 0.00 H new ATOM 405 N ILE A 97 -2.903 10.563 -1.752 1.00 0.00 N ATOM 406 CA ILE A 97 -2.089 10.704 -2.953 1.00 0.00 C ATOM 407 C ILE A 97 -1.364 12.046 -2.971 1.00 0.00 C ATOM 408 O ILE A 97 -1.935 13.076 -2.614 1.00 0.00 O ATOM 409 CB ILE A 97 -2.942 10.578 -4.229 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.680 9.237 -4.245 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.069 10.723 -5.467 1.00 0.00 C ATOM 412 CD1 ILE A 97 -4.976 9.269 -5.024 1.00 0.00 C ATOM 0 H ILE A 97 -3.541 11.340 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.356 9.897 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.681 11.379 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.027 8.477 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.890 8.935 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.687 10.632 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.585 11.700 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.309 9.942 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.444 8.285 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.648 10.005 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.771 9.540 -6.060 1.00 0.00 H new ATOM 424 N ALA A 98 -0.103 12.025 -3.391 1.00 0.00 N ATOM 425 CA ALA A 98 0.699 13.240 -3.459 1.00 0.00 C ATOM 426 C ALA A 98 1.736 13.151 -4.574 1.00 0.00 C ATOM 427 O ALA A 98 2.468 12.167 -4.675 1.00 0.00 O ATOM 428 CB ALA A 98 1.378 13.500 -2.123 1.00 0.00 C ATOM 0 H ALA A 98 0.385 11.180 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 98 0.033 14.073 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.974 14.411 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.622 13.616 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.026 12.660 -1.875 1.00 0.00 H new ATOM 434 N GLU A 99 1.792 14.185 -5.408 1.00 0.00 N ATOM 435 CA GLU A 99 2.739 14.221 -6.516 1.00 0.00 C ATOM 436 C GLU A 99 4.107 13.705 -6.079 1.00 0.00 C ATOM 437 O GLU A 99 4.678 12.815 -6.711 1.00 0.00 O ATOM 438 CB GLU A 99 2.869 15.646 -7.058 1.00 0.00 C ATOM 439 CG GLU A 99 3.204 15.705 -8.539 1.00 0.00 C ATOM 440 CD GLU A 99 3.492 17.115 -9.017 1.00 0.00 C ATOM 441 OE1 GLU A 99 2.602 17.980 -8.884 1.00 0.00 O ATOM 442 OE2 GLU A 99 4.609 17.353 -9.523 1.00 0.00 O ATOM 0 H GLU A 99 1.193 15.008 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 99 2.360 13.572 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.934 16.179 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.643 16.170 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.071 15.074 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.373 15.294 -9.112 1.00 0.00 H new ATOM 449 N ASP A 100 4.628 14.269 -4.995 1.00 0.00 N ATOM 450 CA ASP A 100 5.928 13.867 -4.472 1.00 0.00 C ATOM 451 C ASP A 100 5.959 12.368 -4.188 1.00 0.00 C ATOM 452 O ASP A 100 6.966 11.701 -4.428 1.00 0.00 O ATOM 453 CB ASP A 100 6.253 14.647 -3.198 1.00 0.00 C ATOM 454 CG ASP A 100 6.536 16.111 -3.472 1.00 0.00 C ATOM 455 OD1 ASP A 100 7.525 16.403 -4.175 1.00 0.00 O ATOM 456 OD2 ASP A 100 5.768 16.966 -2.982 1.00 0.00 O ATOM 0 H ASP A 100 4.169 15.007 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 100 6.681 14.091 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.418 14.565 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.118 14.198 -2.711 1.00 0.00 H new ATOM 461 N HIS A 101 4.850 11.846 -3.673 1.00 0.00 N ATOM 462 CA HIS A 101 4.751 10.426 -3.355 1.00 0.00 C ATOM 463 C HIS A 101 3.321 10.053 -2.975 1.00 0.00 C ATOM 464 O HIS A 101 2.525 10.912 -2.594 1.00 0.00 O ATOM 465 CB HIS A 101 5.704 10.068 -2.214 1.00 0.00 C ATOM 466 CG HIS A 101 5.223 10.519 -0.869 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.354 11.815 -0.418 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.606 9.837 0.124 1.00 0.00 C ATOM 469 CE1 HIS A 101 4.841 11.910 0.795 1.00 0.00 C ATOM 470 NE2 HIS A 101 4.380 10.724 1.148 1.00 0.00 N ATOM 0 H HIS A 101 4.008 12.384 -3.467 1.00 0.00 H new ATOM 0 HA HIS A 101 5.032 9.860 -4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.847 8.988 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.678 10.515 -2.411 1.00 0.00 H new ATOM 0 HD1 HIS A 101 5.780 12.581 -0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.341 8.790 0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.805 12.806 1.397 1.00 0.00 H new ATOM 479 N TYR A 102 3.001 8.768 -3.083 1.00 0.00 N ATOM 480 CA TYR A 102 1.666 8.283 -2.753 1.00 0.00 C ATOM 481 C TYR A 102 1.691 7.440 -1.482 1.00 0.00 C ATOM 482 O TYR A 102 2.687 6.781 -1.179 1.00 0.00 O ATOM 483 CB TYR A 102 1.099 7.461 -3.912 1.00 0.00 C ATOM 484 CG TYR A 102 1.105 8.194 -5.235 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.295 8.630 -5.805 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.079 8.451 -5.914 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.305 9.301 -7.012 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.079 9.120 -7.123 1.00 0.00 C ATOM 489 CZ TYR A 102 1.115 9.543 -7.667 1.00 0.00 C ATOM 490 OH TYR A 102 1.121 10.210 -8.871 1.00 0.00 O ATOM 0 H TYR A 102 3.648 8.044 -3.396 1.00 0.00 H new ATOM 0 HA TYR A 102 1.025 9.148 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.678 6.543 -4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.077 7.169 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.228 8.441 -5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.016 8.122 -5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.239 9.634 -7.441 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.009 9.310 -7.639 1.00 0.00 H new ATOM 0 HH TYR A 102 1.422 9.603 -9.580 1.00 0.00 H new ATOM 500 N LEU A 103 0.588 7.465 -0.742 1.00 0.00 N ATOM 501 CA LEU A 103 0.481 6.703 0.498 1.00 0.00 C ATOM 502 C LEU A 103 -0.450 5.508 0.323 1.00 0.00 C ATOM 503 O LEU A 103 -1.661 5.668 0.171 1.00 0.00 O ATOM 504 CB LEU A 103 -0.027 7.600 1.628 1.00 0.00 C ATOM 505 CG LEU A 103 0.905 8.733 2.057 1.00 0.00 C ATOM 506 CD1 LEU A 103 0.243 9.595 3.121 1.00 0.00 C ATOM 507 CD2 LEU A 103 2.225 8.173 2.567 1.00 0.00 C ATOM 0 H LEU A 103 -0.245 8.004 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 103 1.473 6.332 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.977 8.036 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.230 6.975 2.497 1.00 0.00 H new ATOM 0 HG LEU A 103 1.110 9.358 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.921 10.396 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.675 10.025 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.008 8.982 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.876 8.994 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.039 7.525 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.707 7.599 1.775 1.00 0.00 H new ATOM 519 N VAL A 104 0.124 4.309 0.349 1.00 0.00 N ATOM 520 CA VAL A 104 -0.655 3.086 0.197 1.00 0.00 C ATOM 521 C VAL A 104 -0.564 2.217 1.446 1.00 0.00 C ATOM 522 O VAL A 104 0.528 1.930 1.936 1.00 0.00 O ATOM 523 CB VAL A 104 -0.183 2.267 -1.019 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.337 1.471 -1.608 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.436 3.180 -2.068 1.00 0.00 C ATOM 0 H VAL A 104 1.125 4.159 0.474 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.691 3.389 0.043 1.00 0.00 H new ATOM 0 HB VAL A 104 0.580 1.563 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.984 0.899 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.731 0.789 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.125 2.154 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.764 2.585 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.304 3.909 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.292 3.701 -1.638 1.00 0.00 H new ATOM 535 N GLU A 105 -1.719 1.802 1.958 1.00 0.00 N ATOM 536 CA GLU A 105 -1.768 0.966 3.151 1.00 0.00 C ATOM 537 C GLU A 105 -1.685 -0.512 2.784 1.00 0.00 C ATOM 538 O GLU A 105 -2.604 -1.067 2.181 1.00 0.00 O ATOM 539 CB GLU A 105 -3.054 1.236 3.937 1.00 0.00 C ATOM 540 CG GLU A 105 -3.135 0.477 5.251 1.00 0.00 C ATOM 541 CD GLU A 105 -4.455 0.688 5.966 1.00 0.00 C ATOM 542 OE1 GLU A 105 -4.906 1.850 6.050 1.00 0.00 O ATOM 543 OE2 GLU A 105 -5.038 -0.309 6.441 1.00 0.00 O ATOM 0 H GLU A 105 -2.632 2.031 1.565 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.909 1.216 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -3.129 2.304 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.911 0.968 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.995 -0.587 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.319 0.795 5.901 1.00 0.00 H new ATOM 550 N VAL A 106 -0.575 -1.146 3.151 1.00 0.00 N ATOM 551 CA VAL A 106 -0.370 -2.560 2.862 1.00 0.00 C ATOM 552 C VAL A 106 -0.268 -3.375 4.146 1.00 0.00 C ATOM 553 O VAL A 106 0.667 -3.204 4.928 1.00 0.00 O ATOM 554 CB VAL A 106 0.902 -2.782 2.023 1.00 0.00 C ATOM 555 CG1 VAL A 106 1.102 -4.263 1.738 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.833 -1.986 0.729 1.00 0.00 C ATOM 0 H VAL A 106 0.196 -0.702 3.649 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.236 -2.895 2.291 1.00 0.00 H new ATOM 0 HB VAL A 106 1.760 -2.427 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.006 -4.400 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.200 -4.805 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.244 -4.647 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.740 -2.155 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.033 -2.307 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.742 -0.924 0.959 1.00 0.00 H new ATOM 566 N GLU A 107 -1.236 -4.261 4.356 1.00 0.00 N ATOM 567 CA GLU A 107 -1.255 -5.103 5.547 1.00 0.00 C ATOM 568 C GLU A 107 -1.404 -4.257 6.809 1.00 0.00 C ATOM 569 O GLU A 107 -0.976 -4.657 7.891 1.00 0.00 O ATOM 570 CB GLU A 107 0.025 -5.938 5.628 1.00 0.00 C ATOM 571 CG GLU A 107 -0.082 -7.284 4.932 1.00 0.00 C ATOM 572 CD GLU A 107 1.271 -7.924 4.688 1.00 0.00 C ATOM 573 OE1 GLU A 107 2.214 -7.195 4.316 1.00 0.00 O ATOM 574 OE2 GLU A 107 1.387 -9.154 4.870 1.00 0.00 O ATOM 0 H GLU A 107 -2.017 -4.415 3.718 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.113 -5.771 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.846 -5.374 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.278 -6.099 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.693 -7.954 5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.596 -7.156 3.980 1.00 0.00 H new ATOM 581 N GLY A 108 -2.015 -3.086 6.660 1.00 0.00 N ATOM 582 CA GLY A 108 -2.210 -2.202 7.794 1.00 0.00 C ATOM 583 C GLY A 108 -1.012 -1.306 8.044 1.00 0.00 C ATOM 584 O GLY A 108 -0.770 -0.883 9.174 1.00 0.00 O ATOM 0 H GLY A 108 -2.378 -2.734 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.092 -1.585 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.407 -2.798 8.685 1.00 0.00 H new ATOM 588 N ASP A 109 -0.261 -1.018 6.987 1.00 0.00 N ATOM 589 CA ASP A 109 0.919 -0.167 7.097 1.00 0.00 C ATOM 590 C ASP A 109 1.101 0.674 5.837 1.00 0.00 C ATOM 591 O ASP A 109 1.292 0.141 4.744 1.00 0.00 O ATOM 592 CB ASP A 109 2.166 -1.018 7.342 1.00 0.00 C ATOM 593 CG ASP A 109 2.337 -1.388 8.802 1.00 0.00 C ATOM 594 OD1 ASP A 109 1.948 -0.577 9.669 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.859 -2.488 9.078 1.00 0.00 O ATOM 0 H ASP A 109 -0.448 -1.361 6.045 1.00 0.00 H new ATOM 0 HA ASP A 109 0.775 0.505 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.105 -1.928 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.047 -0.473 7.003 1.00 0.00 H new ATOM 600 N LYS A 110 1.039 1.991 5.998 1.00 0.00 N ATOM 601 CA LYS A 110 1.197 2.908 4.875 1.00 0.00 C ATOM 602 C LYS A 110 2.599 2.805 4.282 1.00 0.00 C ATOM 603 O LYS A 110 3.580 2.648 5.009 1.00 0.00 O ATOM 604 CB LYS A 110 0.925 4.346 5.322 1.00 0.00 C ATOM 605 CG LYS A 110 -0.481 4.562 5.855 1.00 0.00 C ATOM 606 CD LYS A 110 -0.965 5.978 5.594 1.00 0.00 C ATOM 607 CE LYS A 110 -0.565 6.920 6.719 1.00 0.00 C ATOM 608 NZ LYS A 110 -1.534 8.040 6.876 1.00 0.00 N ATOM 0 H LYS A 110 0.880 2.448 6.896 1.00 0.00 H new ATOM 0 HA LYS A 110 0.475 2.630 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.643 4.619 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.092 5.017 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.162 3.852 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.500 4.362 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.550 6.338 4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.050 5.979 5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.500 6.363 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.427 7.324 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.226 8.659 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.578 8.588 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.476 7.656 7.092 1.00 0.00 H new ATOM 622 N TRP A 111 2.685 2.897 2.960 1.00 0.00 N ATOM 623 CA TRP A 111 3.967 2.816 2.270 1.00 0.00 C ATOM 624 C TRP A 111 4.159 4.006 1.337 1.00 0.00 C ATOM 625 O TRP A 111 3.282 4.862 1.220 1.00 0.00 O ATOM 626 CB TRP A 111 4.062 1.510 1.479 1.00 0.00 C ATOM 627 CG TRP A 111 4.155 0.294 2.349 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.115 -0.420 2.873 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.353 -0.350 2.798 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.595 -1.469 3.621 1.00 0.00 N ATOM 631 CE2 TRP A 111 4.964 -1.448 3.589 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.715 -0.107 2.606 1.00 0.00 C ATOM 633 CZ2 TRP A 111 5.890 -2.298 4.188 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.633 -0.951 3.201 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.217 -2.037 3.984 1.00 0.00 C ATOM 0 H TRP A 111 1.882 3.028 2.344 1.00 0.00 H new ATOM 0 HA TRP A 111 4.757 2.836 3.020 1.00 0.00 H new ATOM 0 HB2 TRP A 111 3.188 1.420 0.834 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.936 1.550 0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.070 -0.194 2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.024 -2.152 4.119 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.045 0.726 2.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.571 -3.134 4.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.689 -0.771 3.061 1.00 0.00 H new ATOM 0 HH2 TRP A 111 7.959 -2.680 4.435 1.00 0.00 H new ATOM 646 N ILE A 112 5.310 4.053 0.674 1.00 0.00 N ATOM 647 CA ILE A 112 5.615 5.138 -0.250 1.00 0.00 C ATOM 648 C ILE A 112 5.711 4.628 -1.684 1.00 0.00 C ATOM 649 O ILE A 112 6.753 4.130 -2.108 1.00 0.00 O ATOM 650 CB ILE A 112 6.934 5.840 0.122 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.793 6.559 1.466 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.339 6.820 -0.969 1.00 0.00 C ATOM 653 CD1 ILE A 112 6.767 5.622 2.653 1.00 0.00 C ATOM 0 H ILE A 112 6.046 3.352 0.760 1.00 0.00 H new ATOM 0 HA ILE A 112 4.797 5.855 -0.176 1.00 0.00 H new ATOM 0 HB ILE A 112 7.716 5.086 0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.621 7.258 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.876 7.149 1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.273 7.308 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.475 6.283 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.559 7.572 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.665 6.201 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.923 4.939 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.694 5.050 2.685 1.00 0.00 H new ATOM 665 N ALA A 113 4.617 4.759 -2.427 1.00 0.00 N ATOM 666 CA ALA A 113 4.578 4.315 -3.814 1.00 0.00 C ATOM 667 C ALA A 113 4.364 5.492 -4.761 1.00 0.00 C ATOM 668 O ALA A 113 3.860 6.541 -4.359 1.00 0.00 O ATOM 669 CB ALA A 113 3.483 3.276 -4.006 1.00 0.00 C ATOM 0 H ALA A 113 3.746 5.169 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 113 5.540 3.861 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.466 2.954 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.679 2.418 -3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.518 3.711 -3.745 1.00 0.00 H new ATOM 675 N TYR A 114 4.751 5.311 -6.019 1.00 0.00 N ATOM 676 CA TYR A 114 4.605 6.358 -7.022 1.00 0.00 C ATOM 677 C TYR A 114 3.932 5.818 -8.280 1.00 0.00 C ATOM 678 O TYR A 114 4.425 4.881 -8.908 1.00 0.00 O ATOM 679 CB TYR A 114 5.971 6.950 -7.375 1.00 0.00 C ATOM 680 CG TYR A 114 6.996 5.912 -7.773 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.474 4.990 -6.850 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.486 5.853 -9.072 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.411 4.041 -7.208 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.422 4.906 -9.439 1.00 0.00 C ATOM 685 CZ TYR A 114 8.881 4.002 -8.504 1.00 0.00 C ATOM 686 OH TYR A 114 9.815 3.058 -8.866 1.00 0.00 O ATOM 0 H TYR A 114 5.168 4.448 -6.368 1.00 0.00 H new ATOM 0 HA TYR A 114 3.974 7.142 -6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.849 7.661 -8.193 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.347 7.510 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.106 5.016 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.129 6.559 -9.807 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.774 3.333 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.793 4.874 -10.453 1.00 0.00 H new ATOM 0 HH TYR A 114 10.039 3.166 -9.814 1.00 0.00 H new ATOM 696 N SER A 115 2.802 6.418 -8.642 1.00 0.00 N ATOM 697 CA SER A 115 2.058 5.996 -9.823 1.00 0.00 C ATOM 698 C SER A 115 1.707 7.194 -10.701 1.00 0.00 C ATOM 699 O SER A 115 1.115 8.167 -10.234 1.00 0.00 O ATOM 700 CB SER A 115 0.781 5.260 -9.412 1.00 0.00 C ATOM 701 OG SER A 115 -0.040 4.995 -10.536 1.00 0.00 O ATOM 0 H SER A 115 2.382 7.197 -8.135 1.00 0.00 H new ATOM 0 HA SER A 115 2.691 5.319 -10.397 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.040 4.323 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.229 5.860 -8.688 1.00 0.00 H new ATOM 0 HG SER A 115 -0.551 4.173 -10.381 1.00 0.00 H new ATOM 707 N ASP A 116 2.077 7.114 -11.974 1.00 0.00 N ATOM 708 CA ASP A 116 1.801 8.190 -12.919 1.00 0.00 C ATOM 709 C ASP A 116 0.299 8.397 -13.084 1.00 0.00 C ATOM 710 O ASP A 116 -0.152 9.487 -13.435 1.00 0.00 O ATOM 711 CB ASP A 116 2.438 7.883 -14.275 1.00 0.00 C ATOM 712 CG ASP A 116 3.951 7.984 -14.241 1.00 0.00 C ATOM 713 OD1 ASP A 116 4.475 9.098 -14.445 1.00 0.00 O ATOM 714 OD2 ASP A 116 4.610 6.948 -14.011 1.00 0.00 O ATOM 0 H ASP A 116 2.569 6.316 -12.376 1.00 0.00 H new ATOM 0 HA ASP A 116 2.234 9.108 -12.522 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.151 6.879 -14.589 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.047 8.575 -15.021 1.00 0.00 H new ATOM 719 N GLU A 117 -0.470 7.343 -12.829 1.00 0.00 N ATOM 720 CA GLU A 117 -1.921 7.409 -12.952 1.00 0.00 C ATOM 721 C GLU A 117 -2.548 7.993 -11.689 1.00 0.00 C ATOM 722 O GLU A 117 -2.452 7.411 -10.608 1.00 0.00 O ATOM 723 CB GLU A 117 -2.497 6.018 -13.223 1.00 0.00 C ATOM 724 CG GLU A 117 -2.499 5.636 -14.694 1.00 0.00 C ATOM 725 CD GLU A 117 -2.775 4.162 -14.914 1.00 0.00 C ATOM 726 OE1 GLU A 117 -2.412 3.353 -14.033 1.00 0.00 O ATOM 727 OE2 GLU A 117 -3.352 3.815 -15.965 1.00 0.00 O ATOM 0 H GLU A 117 -0.112 6.434 -12.536 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.159 8.062 -13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.920 5.280 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -3.518 5.977 -12.844 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -3.252 6.225 -15.217 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.534 5.890 -15.133 1.00 0.00 H new ATOM 734 N LYS A 118 -3.189 9.148 -11.833 1.00 0.00 N ATOM 735 CA LYS A 118 -3.832 9.813 -10.706 1.00 0.00 C ATOM 736 C LYS A 118 -4.816 8.877 -10.011 1.00 0.00 C ATOM 737 O LYS A 118 -5.932 8.668 -10.488 1.00 0.00 O ATOM 738 CB LYS A 118 -4.558 11.074 -11.178 1.00 0.00 C ATOM 739 CG LYS A 118 -3.634 12.257 -11.412 1.00 0.00 C ATOM 740 CD LYS A 118 -3.000 12.204 -12.792 1.00 0.00 C ATOM 741 CE LYS A 118 -2.054 13.374 -13.016 1.00 0.00 C ATOM 742 NZ LYS A 118 -2.782 14.673 -13.065 1.00 0.00 N ATOM 0 H LYS A 118 -3.277 9.643 -12.720 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.058 10.093 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.091 10.852 -12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -5.308 11.350 -10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.195 13.185 -11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.853 12.266 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.455 11.267 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.780 12.215 -13.553 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.315 13.402 -12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.509 13.227 -13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.131 15.425 -13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.570 14.604 -13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.154 14.898 -12.120 1.00 0.00 H new ATOM 756 N LEU A 119 -4.396 8.316 -8.883 1.00 0.00 N ATOM 757 CA LEU A 119 -5.241 7.403 -8.121 1.00 0.00 C ATOM 758 C LEU A 119 -6.308 8.168 -7.345 1.00 0.00 C ATOM 759 O LEU A 119 -6.414 9.390 -7.455 1.00 0.00 O ATOM 760 CB LEU A 119 -4.391 6.573 -7.158 1.00 0.00 C ATOM 761 CG LEU A 119 -3.113 5.968 -7.741 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.322 5.248 -6.661 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.445 5.020 -8.884 1.00 0.00 C ATOM 0 H LEU A 119 -3.475 8.477 -8.475 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.738 6.735 -8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.118 7.203 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.007 5.763 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.497 6.777 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.416 4.824 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.052 5.954 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.930 4.449 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.524 4.599 -9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.081 4.215 -8.516 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.968 5.566 -9.669 1.00 0.00 H new ATOM 775 N SER A 120 -7.095 7.442 -6.558 1.00 0.00 N ATOM 776 CA SER A 120 -8.155 8.052 -5.764 1.00 0.00 C ATOM 777 C SER A 120 -8.269 7.378 -4.400 1.00 0.00 C ATOM 778 O SER A 120 -8.267 6.150 -4.299 1.00 0.00 O ATOM 779 CB SER A 120 -9.492 7.961 -6.503 1.00 0.00 C ATOM 780 OG SER A 120 -9.305 8.044 -7.905 1.00 0.00 O ATOM 0 H SER A 120 -7.019 6.430 -6.453 1.00 0.00 H new ATOM 0 HA SER A 120 -7.902 9.101 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.986 7.022 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.150 8.765 -6.172 1.00 0.00 H new ATOM 0 HG SER A 120 -9.086 7.157 -8.259 1.00 0.00 H new ATOM 786 N LEU A 121 -8.367 8.189 -3.352 1.00 0.00 N ATOM 787 CA LEU A 121 -8.482 7.673 -1.993 1.00 0.00 C ATOM 788 C LEU A 121 -9.532 6.570 -1.916 1.00 0.00 C ATOM 789 O LEU A 121 -10.704 6.793 -2.216 1.00 0.00 O ATOM 790 CB LEU A 121 -8.840 8.803 -1.026 1.00 0.00 C ATOM 791 CG LEU A 121 -7.662 9.541 -0.390 1.00 0.00 C ATOM 792 CD1 LEU A 121 -6.744 10.106 -1.462 1.00 0.00 C ATOM 793 CD2 LEU A 121 -8.159 10.649 0.527 1.00 0.00 C ATOM 0 H LEU A 121 -8.369 9.207 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.518 7.251 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.453 9.530 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.457 8.390 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.093 8.829 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.911 10.628 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -6.360 9.293 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.301 10.803 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -7.307 11.164 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -8.752 11.359 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -8.775 10.219 1.317 1.00 0.00 H new ATOM 805 N GLY A 122 -9.104 5.379 -1.510 1.00 0.00 N ATOM 806 CA GLY A 122 -10.020 4.259 -1.398 1.00 0.00 C ATOM 807 C GLY A 122 -9.896 3.290 -2.558 1.00 0.00 C ATOM 808 O GLY A 122 -10.628 2.303 -2.632 1.00 0.00 O ATOM 0 H GLY A 122 -8.138 5.169 -1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.829 3.730 -0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.043 4.633 -1.349 1.00 0.00 H new ATOM 812 N ASP A 123 -8.968 3.573 -3.465 1.00 0.00 N ATOM 813 CA ASP A 123 -8.750 2.720 -4.628 1.00 0.00 C ATOM 814 C ASP A 123 -7.825 1.557 -4.283 1.00 0.00 C ATOM 815 O ASP A 123 -6.724 1.759 -3.770 1.00 0.00 O ATOM 816 CB ASP A 123 -8.161 3.533 -5.781 1.00 0.00 C ATOM 817 CG ASP A 123 -9.168 4.487 -6.392 1.00 0.00 C ATOM 818 OD1 ASP A 123 -10.322 4.515 -5.915 1.00 0.00 O ATOM 819 OD2 ASP A 123 -8.803 5.204 -7.347 1.00 0.00 O ATOM 0 H ASP A 123 -8.354 4.386 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.714 2.315 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.302 4.099 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.795 2.854 -6.551 1.00 0.00 H new ATOM 824 N ARG A 124 -8.280 0.341 -4.566 1.00 0.00 N ATOM 825 CA ARG A 124 -7.493 -0.854 -4.283 1.00 0.00 C ATOM 826 C ARG A 124 -6.366 -1.015 -5.299 1.00 0.00 C ATOM 827 O ARG A 124 -6.605 -1.057 -6.506 1.00 0.00 O ATOM 828 CB ARG A 124 -8.388 -2.094 -4.297 1.00 0.00 C ATOM 829 CG ARG A 124 -7.823 -3.262 -3.505 1.00 0.00 C ATOM 830 CD ARG A 124 -8.903 -4.273 -3.156 1.00 0.00 C ATOM 831 NE ARG A 124 -8.407 -5.319 -2.265 1.00 0.00 N ATOM 832 CZ ARG A 124 -8.994 -6.501 -2.121 1.00 0.00 C ATOM 833 NH1 ARG A 124 -10.093 -6.788 -2.806 1.00 0.00 N ATOM 834 NH2 ARG A 124 -8.482 -7.401 -1.290 1.00 0.00 N ATOM 0 H ARG A 124 -9.189 0.157 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.053 -0.743 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.365 -1.831 -3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.544 -2.407 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.039 -3.750 -4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.360 -2.892 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.740 -3.760 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.284 -4.727 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.563 -5.131 -1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.490 -6.100 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.542 -7.697 -2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.637 -7.185 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -8.934 -8.309 -1.180 1.00 0.00 H new ATOM 848 N VAL A 125 -5.136 -1.105 -4.801 1.00 0.00 N ATOM 849 CA VAL A 125 -3.972 -1.262 -5.664 1.00 0.00 C ATOM 850 C VAL A 125 -3.069 -2.386 -5.170 1.00 0.00 C ATOM 851 O VAL A 125 -2.910 -2.584 -3.965 1.00 0.00 O ATOM 852 CB VAL A 125 -3.154 0.040 -5.746 1.00 0.00 C ATOM 853 CG1 VAL A 125 -4.031 1.194 -6.209 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.514 0.352 -4.402 1.00 0.00 C ATOM 0 H VAL A 125 -4.921 -1.072 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.346 -1.510 -6.657 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.359 -0.097 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.436 2.105 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.437 0.969 -7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.849 1.335 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.940 1.275 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.292 0.469 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.851 -0.465 -4.116 1.00 0.00 H new ATOM 864 N MET A 126 -2.479 -3.120 -6.107 1.00 0.00 N ATOM 865 CA MET A 126 -1.590 -4.225 -5.766 1.00 0.00 C ATOM 866 C MET A 126 -0.130 -3.822 -5.947 1.00 0.00 C ATOM 867 O MET A 126 0.225 -3.155 -6.919 1.00 0.00 O ATOM 868 CB MET A 126 -1.905 -5.447 -6.631 1.00 0.00 C ATOM 869 CG MET A 126 -0.968 -6.619 -6.390 1.00 0.00 C ATOM 870 SD MET A 126 -0.863 -7.728 -7.808 1.00 0.00 S ATOM 871 CE MET A 126 -1.807 -9.129 -7.214 1.00 0.00 C ATOM 0 H MET A 126 -2.600 -2.970 -7.109 1.00 0.00 H new ATOM 0 HA MET A 126 -1.752 -4.480 -4.719 1.00 0.00 H new ATOM 0 HB2 MET A 126 -2.929 -5.765 -6.437 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.854 -5.161 -7.682 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.027 -6.241 -6.155 1.00 0.00 H new ATOM 0 HG3 MET A 126 -1.310 -7.180 -5.520 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.196 -9.692 -8.063 1.00 0.00 H new ATOM 0 HE2 MET A 126 -1.164 -9.774 -6.616 1.00 0.00 H new ATOM 0 HE3 MET A 126 -2.637 -8.775 -6.602 1.00 0.00 H new ATOM 881 N VAL A 127 0.713 -4.232 -5.004 1.00 0.00 N ATOM 882 CA VAL A 127 2.135 -3.915 -5.060 1.00 0.00 C ATOM 883 C VAL A 127 2.803 -4.591 -6.252 1.00 0.00 C ATOM 884 O VAL A 127 2.868 -5.818 -6.327 1.00 0.00 O ATOM 885 CB VAL A 127 2.857 -4.345 -3.769 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.309 -3.892 -3.793 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.138 -3.792 -2.548 1.00 0.00 C ATOM 0 H VAL A 127 0.436 -4.784 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 127 2.214 -2.833 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 127 2.842 -5.433 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.803 -4.205 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.816 -4.340 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.350 -2.806 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.661 -4.105 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.121 -2.703 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.116 -4.171 -2.525 1.00 0.00 H new ATOM 897 N VAL A 128 3.299 -3.782 -7.183 1.00 0.00 N ATOM 898 CA VAL A 128 3.964 -4.302 -8.372 1.00 0.00 C ATOM 899 C VAL A 128 5.369 -4.793 -8.045 1.00 0.00 C ATOM 900 O VAL A 128 5.787 -5.859 -8.499 1.00 0.00 O ATOM 901 CB VAL A 128 4.050 -3.234 -9.479 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.362 -3.880 -10.820 1.00 0.00 C ATOM 903 CG2 VAL A 128 2.757 -2.436 -9.550 1.00 0.00 C ATOM 0 H VAL A 128 3.253 -2.764 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 128 3.364 -5.139 -8.730 1.00 0.00 H new ATOM 0 HB VAL A 128 4.861 -2.547 -9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.419 -3.111 -11.590 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.316 -4.403 -10.759 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.575 -4.590 -11.074 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.835 -1.686 -10.337 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.927 -3.107 -9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.581 -1.942 -8.594 1.00 0.00 H new ATOM 913 N ASP A 129 6.095 -4.011 -7.254 1.00 0.00 N ATOM 914 CA ASP A 129 7.454 -4.367 -6.864 1.00 0.00 C ATOM 915 C ASP A 129 7.905 -3.549 -5.658 1.00 0.00 C ATOM 916 O ASP A 129 7.314 -2.519 -5.336 1.00 0.00 O ATOM 917 CB ASP A 129 8.417 -4.148 -8.032 1.00 0.00 C ATOM 918 CG ASP A 129 9.820 -4.633 -7.725 1.00 0.00 C ATOM 919 OD1 ASP A 129 10.098 -5.829 -7.951 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.641 -3.815 -7.259 1.00 0.00 O ATOM 0 H ASP A 129 5.765 -3.126 -6.870 1.00 0.00 H new ATOM 0 HA ASP A 129 7.462 -5.422 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.040 -4.669 -8.912 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.449 -3.087 -8.279 1.00 0.00 H new ATOM 925 N VAL A 130 8.957 -4.017 -4.992 1.00 0.00 N ATOM 926 CA VAL A 130 9.487 -3.330 -3.821 1.00 0.00 C ATOM 927 C VAL A 130 10.976 -3.041 -3.980 1.00 0.00 C ATOM 928 O VAL A 130 11.783 -3.957 -4.139 1.00 0.00 O ATOM 929 CB VAL A 130 9.270 -4.156 -2.539 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.988 -3.514 -1.362 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.785 -4.308 -2.249 1.00 0.00 C ATOM 0 H VAL A 130 9.458 -4.869 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 130 8.944 -2.389 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 130 9.691 -5.150 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 130 9.823 -4.112 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 130 11.056 -3.462 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 130 9.600 -2.508 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.650 -4.894 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 130 7.338 -3.323 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.301 -4.816 -3.083 1.00 0.00 H new ATOM 941 N ASP A 131 11.333 -1.762 -3.936 1.00 0.00 N ATOM 942 CA ASP A 131 12.725 -1.352 -4.074 1.00 0.00 C ATOM 943 C ASP A 131 13.298 -0.912 -2.730 1.00 0.00 C ATOM 944 O ASP A 131 14.205 -0.083 -2.672 1.00 0.00 O ATOM 945 CB ASP A 131 12.846 -0.216 -5.091 1.00 0.00 C ATOM 946 CG ASP A 131 13.020 -0.725 -6.509 1.00 0.00 C ATOM 947 OD1 ASP A 131 12.011 -1.133 -7.120 1.00 0.00 O ATOM 948 OD2 ASP A 131 14.165 -0.714 -7.007 1.00 0.00 O ATOM 0 H ASP A 131 10.677 -0.992 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 131 13.297 -2.209 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 131 11.955 0.410 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 131 13.695 0.415 -4.828 1.00 0.00 H new ATOM 953 N GLY A 132 12.760 -1.472 -1.651 1.00 0.00 N ATOM 954 CA GLY A 132 13.229 -1.124 -0.323 1.00 0.00 C ATOM 955 C GLY A 132 12.118 -0.596 0.564 1.00 0.00 C ATOM 956 O GLY A 132 11.202 -1.333 0.930 1.00 0.00 O ATOM 0 H GLY A 132 12.008 -2.160 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.676 -2.002 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 132 14.014 -0.372 -0.404 1.00 0.00 H new ATOM 960 N LEU A 133 12.200 0.684 0.912 1.00 0.00 N ATOM 961 CA LEU A 133 11.194 1.311 1.763 1.00 0.00 C ATOM 962 C LEU A 133 9.981 1.743 0.945 1.00 0.00 C ATOM 963 O LEU A 133 9.005 2.260 1.488 1.00 0.00 O ATOM 964 CB LEU A 133 11.792 2.519 2.486 1.00 0.00 C ATOM 965 CG LEU A 133 11.265 2.784 3.897 1.00 0.00 C ATOM 966 CD1 LEU A 133 9.751 2.652 3.936 1.00 0.00 C ATOM 967 CD2 LEU A 133 11.911 1.833 4.895 1.00 0.00 C ATOM 0 H LEU A 133 12.952 1.307 0.618 1.00 0.00 H new ATOM 0 HA LEU A 133 10.869 0.577 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.872 2.386 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.611 3.406 1.879 1.00 0.00 H new ATOM 0 HG LEU A 133 11.527 3.805 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.395 2.844 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.305 3.374 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 133 9.466 1.644 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 133 11.524 2.036 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 133 11.681 0.804 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 133 12.991 1.977 4.888 1.00 0.00 H new ATOM 979 N LYS A 134 10.049 1.525 -0.364 1.00 0.00 N ATOM 980 CA LYS A 134 8.955 1.888 -1.258 1.00 0.00 C ATOM 981 C LYS A 134 8.451 0.669 -2.024 1.00 0.00 C ATOM 982 O LYS A 134 8.976 -0.435 -1.869 1.00 0.00 O ATOM 983 CB LYS A 134 9.410 2.969 -2.241 1.00 0.00 C ATOM 984 CG LYS A 134 10.722 2.645 -2.936 1.00 0.00 C ATOM 985 CD LYS A 134 10.782 3.257 -4.326 1.00 0.00 C ATOM 986 CE LYS A 134 11.266 4.698 -4.280 1.00 0.00 C ATOM 987 NZ LYS A 134 10.230 5.613 -3.724 1.00 0.00 N ATOM 0 H LYS A 134 10.850 1.099 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 134 8.137 2.278 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.635 3.113 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.515 3.913 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.554 3.017 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.840 1.564 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.449 2.668 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.794 3.218 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.169 4.759 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.536 5.023 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.350 6.562 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 9.284 5.251 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.332 5.665 -2.690 1.00 0.00 H new ATOM 1001 N LEU A 135 7.432 0.875 -2.851 1.00 0.00 N ATOM 1002 CA LEU A 135 6.858 -0.207 -3.643 1.00 0.00 C ATOM 1003 C LEU A 135 5.813 0.326 -4.617 1.00 0.00 C ATOM 1004 O LEU A 135 4.889 1.040 -4.224 1.00 0.00 O ATOM 1005 CB LEU A 135 6.229 -1.258 -2.726 1.00 0.00 C ATOM 1006 CG LEU A 135 5.698 -0.748 -1.386 1.00 0.00 C ATOM 1007 CD1 LEU A 135 4.293 -0.189 -1.547 1.00 0.00 C ATOM 1008 CD2 LEU A 135 5.715 -1.860 -0.348 1.00 0.00 C ATOM 0 H LEU A 135 6.986 1.782 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 135 7.661 -0.669 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.408 -1.734 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.972 -2.031 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 135 6.349 0.055 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.931 0.169 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.309 0.637 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.630 -0.972 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.334 -1.479 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.087 -2.684 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.737 -2.215 -0.212 1.00 0.00 H new ATOM 1020 N LYS A 136 5.962 -0.026 -5.889 1.00 0.00 N ATOM 1021 CA LYS A 136 5.030 0.413 -6.920 1.00 0.00 C ATOM 1022 C LYS A 136 3.636 -0.152 -6.670 1.00 0.00 C ATOM 1023 O LYS A 136 3.473 -1.128 -5.937 1.00 0.00 O ATOM 1024 CB LYS A 136 5.526 -0.018 -8.302 1.00 0.00 C ATOM 1025 CG LYS A 136 6.526 0.946 -8.917 1.00 0.00 C ATOM 1026 CD LYS A 136 6.969 0.485 -10.296 1.00 0.00 C ATOM 1027 CE LYS A 136 5.869 0.675 -11.328 1.00 0.00 C ATOM 1028 NZ LYS A 136 5.952 -0.334 -12.420 1.00 0.00 N ATOM 0 H LYS A 136 6.721 -0.615 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 136 4.974 1.501 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.985 -1.003 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 136 4.671 -0.117 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.079 1.938 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.395 1.035 -8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.855 1.043 -10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.253 -0.567 -10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 136 4.897 0.603 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.939 1.676 -11.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.185 -0.170 -13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.869 -0.249 -12.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 5.860 -1.289 -12.018 1.00 0.00 H new ATOM 1042 N VAL A 137 2.632 0.467 -7.284 1.00 0.00 N ATOM 1043 CA VAL A 137 1.252 0.024 -7.129 1.00 0.00 C ATOM 1044 C VAL A 137 0.467 0.208 -8.423 1.00 0.00 C ATOM 1045 O VAL A 137 0.608 1.221 -9.109 1.00 0.00 O ATOM 1046 CB VAL A 137 0.540 0.789 -5.997 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.208 0.507 -4.660 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.525 2.282 -6.291 1.00 0.00 C ATOM 0 H VAL A 137 2.749 1.277 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 137 1.287 -1.036 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.492 0.443 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.692 1.056 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.162 -0.561 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.250 0.824 -4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.018 2.807 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.549 2.647 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.003 2.463 -7.227 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.360 -0.778 -8.752 1.00 0.00 N ATOM 1059 CA LYS A 138 -1.170 -0.726 -9.964 1.00 0.00 C ATOM 1060 C LYS A 138 -2.646 -0.934 -9.641 1.00 0.00 C ATOM 1061 O LYS A 138 -3.021 -1.930 -9.023 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.700 -1.787 -10.962 1.00 0.00 C ATOM 1063 CG LYS A 138 -0.746 -3.201 -10.411 1.00 0.00 C ATOM 1064 CD LYS A 138 -0.157 -4.201 -11.393 1.00 0.00 C ATOM 1065 CE LYS A 138 -0.629 -5.616 -11.097 1.00 0.00 C ATOM 1066 NZ LYS A 138 -2.050 -5.821 -11.491 1.00 0.00 N ATOM 0 H LYS A 138 -0.487 -1.624 -8.196 1.00 0.00 H new ATOM 0 HA LYS A 138 -1.050 0.261 -10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -1.321 -1.734 -11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 138 0.321 -1.558 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -0.195 -3.245 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -1.778 -3.473 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -0.442 -3.926 -12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 138 0.931 -4.162 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 138 0.002 -6.328 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.514 -5.822 -10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -2.195 -6.815 -11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -2.670 -5.586 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -2.279 -5.206 -12.298 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.479 0.012 -10.065 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.914 -0.069 -9.821 1.00 0.00 C ATOM 1082 C ARG A 139 -5.471 -1.408 -10.294 1.00 0.00 C ATOM 1083 O ARG A 139 -5.173 -1.860 -11.400 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.638 1.076 -10.530 1.00 0.00 C ATOM 1085 CG ARG A 139 -7.114 0.806 -10.773 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.833 2.048 -11.276 1.00 0.00 C ATOM 1087 NE ARG A 139 -9.247 2.047 -10.913 1.00 0.00 N ATOM 1088 CZ ARG A 139 -10.045 3.099 -11.062 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -9.569 4.230 -11.564 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -11.321 3.020 -10.707 1.00 0.00 N ATOM 0 H ARG A 139 -3.184 0.843 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 139 -5.080 0.015 -8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -5.537 1.983 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -5.150 1.267 -11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.223 0.002 -11.501 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.579 0.464 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.354 2.936 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.737 2.108 -12.360 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.644 1.192 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.588 4.294 -11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.184 5.036 -11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -11.690 2.151 -10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.933 3.828 -10.822 1.00 0.00 H new ATOM 1104 N ILE A 140 -6.281 -2.038 -9.450 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.880 -3.325 -9.782 1.00 0.00 C ATOM 1106 C ILE A 140 -8.395 -3.286 -9.613 1.00 0.00 C ATOM 1107 O ILE A 140 -8.927 -2.653 -8.700 1.00 0.00 O ATOM 1108 CB ILE A 140 -6.306 -4.456 -8.908 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.583 -4.178 -7.429 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.812 -4.608 -9.153 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -6.067 -5.258 -6.505 1.00 0.00 C ATOM 0 H ILE A 140 -6.538 -1.678 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.638 -3.526 -10.826 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.796 -5.391 -9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -6.126 -3.227 -7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.658 -4.069 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.421 -5.411 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.638 -4.847 -10.202 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -4.306 -3.675 -8.904 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -6.298 -4.995 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.543 -6.207 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -4.987 -5.352 -6.622 1.00 0.00 H new