USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=8 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 180:sc= -0.143 USER MOD Single : A 88 LYS NZ :NH3+ 158:sc= -1.05 (180deg=-3.66) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-1.1) USER MOD Single : A 102 TYR OH : rot 101:sc= 0.206 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 -116:sc= -0.0494 USER MOD Single : A 118 LYS NZ :NH3+ -136:sc= 0.148 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -102:sc= 1.13 (180deg=-0.525) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.644 -5.558 6.376 1.00 0.00 N ATOM 188 CA THR A 84 8.404 -6.993 6.289 1.00 0.00 C ATOM 189 C THR A 84 8.885 -7.552 4.955 1.00 0.00 C ATOM 190 O THR A 84 9.072 -8.760 4.808 1.00 0.00 O ATOM 191 CB THR A 84 6.909 -7.325 6.462 1.00 0.00 C ATOM 192 OG1 THR A 84 6.708 -8.739 6.373 1.00 0.00 O ATOM 193 CG2 THR A 84 6.073 -6.620 5.405 1.00 0.00 C ATOM 0 HA THR A 84 8.968 -7.456 7.099 1.00 0.00 H new ATOM 0 HB THR A 84 6.593 -6.976 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.756 -8.942 6.485 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.021 -6.869 5.547 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.206 -5.542 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.392 -6.943 4.414 1.00 0.00 H new ATOM 201 N PHE A 85 9.086 -6.665 3.986 1.00 0.00 N ATOM 202 CA PHE A 85 9.547 -7.070 2.663 1.00 0.00 C ATOM 203 C PHE A 85 8.623 -8.128 2.065 1.00 0.00 C ATOM 204 O PHE A 85 9.082 -9.120 1.502 1.00 0.00 O ATOM 205 CB PHE A 85 10.976 -7.611 2.740 1.00 0.00 C ATOM 206 CG PHE A 85 11.632 -7.765 1.398 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.920 -7.530 0.233 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.961 -8.147 1.302 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.521 -7.670 -1.004 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.567 -8.289 0.068 1.00 0.00 C ATOM 211 CZ PHE A 85 12.846 -8.052 -1.086 1.00 0.00 C ATOM 0 H PHE A 85 8.937 -5.662 4.092 1.00 0.00 H new ATOM 0 HA PHE A 85 9.533 -6.192 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.577 -6.941 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.963 -8.578 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.883 -7.234 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.529 -8.336 2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.956 -7.481 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.604 -8.585 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 85 13.317 -8.165 -2.051 1.00 0.00 H new ATOM 221 N GLU A 86 7.318 -7.906 2.195 1.00 0.00 N ATOM 222 CA GLU A 86 6.330 -8.841 1.669 1.00 0.00 C ATOM 223 C GLU A 86 5.344 -8.128 0.748 1.00 0.00 C ATOM 224 O GLU A 86 4.759 -8.740 -0.147 1.00 0.00 O ATOM 225 CB GLU A 86 5.576 -9.518 2.815 1.00 0.00 C ATOM 226 CG GLU A 86 6.450 -10.420 3.670 1.00 0.00 C ATOM 227 CD GLU A 86 5.646 -11.256 4.647 1.00 0.00 C ATOM 228 OE1 GLU A 86 4.597 -10.770 5.120 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.066 -12.395 4.939 1.00 0.00 O ATOM 0 H GLU A 86 6.922 -7.089 2.659 1.00 0.00 H new ATOM 0 HA GLU A 86 6.857 -9.601 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.131 -8.751 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.756 -10.106 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.027 -11.080 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.165 -9.810 4.222 1.00 0.00 H new ATOM 236 N LEU A 87 5.163 -6.832 0.974 1.00 0.00 N ATOM 237 CA LEU A 87 4.248 -6.034 0.165 1.00 0.00 C ATOM 238 C LEU A 87 4.210 -6.540 -1.273 1.00 0.00 C ATOM 239 O LEU A 87 3.145 -6.628 -1.884 1.00 0.00 O ATOM 240 CB LEU A 87 4.665 -4.563 0.189 1.00 0.00 C ATOM 241 CG LEU A 87 5.296 -4.065 1.489 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.568 -4.645 2.692 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.775 -4.420 1.535 1.00 0.00 C ATOM 0 H LEU A 87 5.638 -6.311 1.711 1.00 0.00 H new ATOM 0 HA LEU A 87 3.249 -6.129 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.372 -4.393 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.786 -3.954 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 87 5.203 -2.979 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.031 -4.279 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.522 -4.339 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.628 -5.733 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.207 -4.058 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.891 -5.502 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.287 -3.955 0.693 1.00 0.00 H new ATOM 255 N LYS A 88 5.379 -6.875 -1.808 1.00 0.00 N ATOM 256 CA LYS A 88 5.481 -7.377 -3.174 1.00 0.00 C ATOM 257 C LYS A 88 4.386 -8.399 -3.461 1.00 0.00 C ATOM 258 O LYS A 88 4.468 -9.549 -3.031 1.00 0.00 O ATOM 259 CB LYS A 88 6.856 -8.007 -3.407 1.00 0.00 C ATOM 260 CG LYS A 88 6.927 -8.865 -4.658 1.00 0.00 C ATOM 261 CD LYS A 88 7.019 -8.014 -5.913 1.00 0.00 C ATOM 262 CE LYS A 88 8.465 -7.738 -6.295 1.00 0.00 C ATOM 263 NZ LYS A 88 8.618 -7.509 -7.759 1.00 0.00 N ATOM 0 H LYS A 88 6.270 -6.808 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 88 5.355 -6.535 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.602 -7.215 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.118 -8.617 -2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.793 -9.524 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.045 -9.503 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.515 -8.521 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.497 -7.070 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.824 -6.864 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.088 -8.580 -5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.492 -6.974 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.666 -8.424 -8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.803 -6.968 -8.113 1.00 0.00 H new ATOM 277 N GLY A 89 3.361 -7.972 -4.193 1.00 0.00 N ATOM 278 CA GLY A 89 2.265 -8.864 -4.526 1.00 0.00 C ATOM 279 C GLY A 89 1.031 -8.605 -3.685 1.00 0.00 C ATOM 280 O GLY A 89 -0.095 -8.743 -4.162 1.00 0.00 O ATOM 0 H GLY A 89 3.270 -7.025 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.013 -8.748 -5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.586 -9.896 -4.387 1.00 0.00 H new ATOM 284 N LYS A 90 1.242 -8.231 -2.427 1.00 0.00 N ATOM 285 CA LYS A 90 0.138 -7.953 -1.516 1.00 0.00 C ATOM 286 C LYS A 90 -0.676 -6.756 -1.997 1.00 0.00 C ATOM 287 O LYS A 90 -0.127 -5.794 -2.534 1.00 0.00 O ATOM 288 CB LYS A 90 0.669 -7.689 -0.105 1.00 0.00 C ATOM 289 CG LYS A 90 0.776 -8.940 0.749 1.00 0.00 C ATOM 290 CD LYS A 90 1.852 -9.879 0.230 1.00 0.00 C ATOM 291 CE LYS A 90 2.476 -10.688 1.357 1.00 0.00 C ATOM 292 NZ LYS A 90 1.621 -11.843 1.749 1.00 0.00 N ATOM 0 H LYS A 90 2.168 -8.114 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.513 -8.827 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.652 -7.223 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.014 -6.974 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.001 -8.661 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.184 -9.456 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.421 -10.555 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.626 -9.303 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.455 -11.050 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.635 -10.044 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.080 -12.369 2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.695 -11.496 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.490 -12.471 0.931 1.00 0.00 H new ATOM 306 N VAL A 91 -1.989 -6.821 -1.799 1.00 0.00 N ATOM 307 CA VAL A 91 -2.879 -5.741 -2.210 1.00 0.00 C ATOM 308 C VAL A 91 -3.267 -4.867 -1.022 1.00 0.00 C ATOM 309 O VAL A 91 -3.644 -5.370 0.035 1.00 0.00 O ATOM 310 CB VAL A 91 -4.157 -6.289 -2.871 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.068 -5.148 -3.297 1.00 0.00 C ATOM 312 CG2 VAL A 91 -3.807 -7.174 -4.057 1.00 0.00 C ATOM 0 H VAL A 91 -2.460 -7.610 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.333 -5.139 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.691 -6.896 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.966 -5.554 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.346 -4.559 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.545 -4.512 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.723 -7.552 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.250 -6.593 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.197 -8.012 -3.718 1.00 0.00 H new ATOM 322 N GLY A 92 -3.173 -3.554 -1.205 1.00 0.00 N ATOM 323 CA GLY A 92 -3.519 -2.630 -0.141 1.00 0.00 C ATOM 324 C GLY A 92 -4.537 -1.596 -0.578 1.00 0.00 C ATOM 325 O GLY A 92 -5.247 -1.792 -1.565 1.00 0.00 O ATOM 0 H GLY A 92 -2.863 -3.113 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.915 -3.189 0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.617 -2.124 0.204 1.00 0.00 H new ATOM 329 N LYS A 93 -4.612 -0.493 0.159 1.00 0.00 N ATOM 330 CA LYS A 93 -5.552 0.576 -0.157 1.00 0.00 C ATOM 331 C LYS A 93 -4.854 1.932 -0.157 1.00 0.00 C ATOM 332 O LYS A 93 -3.869 2.134 0.553 1.00 0.00 O ATOM 333 CB LYS A 93 -6.705 0.584 0.850 1.00 0.00 C ATOM 334 CG LYS A 93 -8.014 1.090 0.271 1.00 0.00 C ATOM 335 CD LYS A 93 -8.869 1.765 1.331 1.00 0.00 C ATOM 336 CE LYS A 93 -9.708 0.753 2.097 1.00 0.00 C ATOM 337 NZ LYS A 93 -10.618 1.413 3.073 1.00 0.00 N ATOM 0 H LYS A 93 -4.033 -0.316 0.980 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.950 0.392 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.852 -0.427 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.429 1.207 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.808 1.795 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.565 0.258 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.228 2.308 2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.523 2.499 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.296 0.162 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.051 0.061 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.172 0.690 3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.056 1.956 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -11.262 2.055 2.568 1.00 0.00 H new ATOM 351 N VAL A 94 -5.371 2.859 -0.957 1.00 0.00 N ATOM 352 CA VAL A 94 -4.799 4.197 -1.046 1.00 0.00 C ATOM 353 C VAL A 94 -5.386 5.119 0.017 1.00 0.00 C ATOM 354 O VAL A 94 -6.486 5.647 -0.143 1.00 0.00 O ATOM 355 CB VAL A 94 -5.037 4.818 -2.436 1.00 0.00 C ATOM 356 CG1 VAL A 94 -4.198 4.109 -3.488 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.514 4.766 -2.796 1.00 0.00 C ATOM 0 H VAL A 94 -6.185 2.708 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.727 4.093 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.730 5.864 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.379 4.561 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.142 4.203 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.471 3.054 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.664 5.209 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.849 3.729 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.089 5.323 -2.056 1.00 0.00 H new ATOM 367 N VAL A 95 -4.644 5.308 1.104 1.00 0.00 N ATOM 368 CA VAL A 95 -5.090 6.167 2.194 1.00 0.00 C ATOM 369 C VAL A 95 -4.922 7.640 1.837 1.00 0.00 C ATOM 370 O VAL A 95 -5.537 8.513 2.450 1.00 0.00 O ATOM 371 CB VAL A 95 -4.315 5.874 3.492 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.649 4.484 4.012 1.00 0.00 C ATOM 373 CG2 VAL A 95 -2.818 6.021 3.264 1.00 0.00 C ATOM 0 H VAL A 95 -3.731 4.878 1.253 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.147 5.953 2.354 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.618 6.600 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.092 4.295 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.718 4.419 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.377 3.740 3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.286 5.810 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.497 5.319 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.597 7.039 2.942 1.00 0.00 H new ATOM 383 N LYS A 96 -4.086 7.910 0.840 1.00 0.00 N ATOM 384 CA LYS A 96 -3.838 9.277 0.398 1.00 0.00 C ATOM 385 C LYS A 96 -2.960 9.294 -0.849 1.00 0.00 C ATOM 386 O LYS A 96 -2.170 8.378 -1.077 1.00 0.00 O ATOM 387 CB LYS A 96 -3.170 10.082 1.515 1.00 0.00 C ATOM 388 CG LYS A 96 -3.170 11.581 1.268 1.00 0.00 C ATOM 389 CD LYS A 96 -4.562 12.171 1.420 1.00 0.00 C ATOM 390 CE LYS A 96 -4.655 13.551 0.788 1.00 0.00 C ATOM 391 NZ LYS A 96 -5.808 14.329 1.320 1.00 0.00 N ATOM 0 H LYS A 96 -3.569 7.199 0.323 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.797 9.733 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.682 9.877 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.141 9.741 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.490 12.066 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.795 11.785 0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.292 11.508 0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.817 12.236 2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.731 14.098 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.753 13.449 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.836 15.263 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.692 13.819 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.702 14.448 2.348 1.00 0.00 H new ATOM 405 N ILE A 97 -3.104 10.342 -1.653 1.00 0.00 N ATOM 406 CA ILE A 97 -2.322 10.479 -2.876 1.00 0.00 C ATOM 407 C ILE A 97 -1.659 11.850 -2.954 1.00 0.00 C ATOM 408 O ILE A 97 -2.257 12.862 -2.592 1.00 0.00 O ATOM 409 CB ILE A 97 -3.195 10.272 -4.128 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.852 8.891 -4.096 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.360 10.438 -5.389 1.00 0.00 C ATOM 412 CD1 ILE A 97 -5.188 8.841 -4.804 1.00 0.00 C ATOM 0 H ILE A 97 -3.754 11.108 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.553 9.707 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.981 11.027 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.179 8.167 -4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.988 8.586 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.991 10.289 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.935 11.441 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.555 9.703 -5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.595 7.832 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.877 9.541 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.055 9.114 -5.851 1.00 0.00 H new ATOM 424 N ALA A 98 -0.418 11.875 -3.430 1.00 0.00 N ATOM 425 CA ALA A 98 0.326 13.121 -3.559 1.00 0.00 C ATOM 426 C ALA A 98 1.437 12.993 -4.595 1.00 0.00 C ATOM 427 O ALA A 98 2.217 12.041 -4.567 1.00 0.00 O ATOM 428 CB ALA A 98 0.903 13.534 -2.213 1.00 0.00 C ATOM 0 H ALA A 98 0.093 11.046 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.365 13.893 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.456 14.467 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.093 13.676 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.574 12.755 -1.850 1.00 0.00 H new ATOM 434 N GLU A 99 1.503 13.956 -5.509 1.00 0.00 N ATOM 435 CA GLU A 99 2.519 13.948 -6.555 1.00 0.00 C ATOM 436 C GLU A 99 3.887 13.592 -5.982 1.00 0.00 C ATOM 437 O GLU A 99 4.590 12.732 -6.512 1.00 0.00 O ATOM 438 CB GLU A 99 2.582 15.312 -7.246 1.00 0.00 C ATOM 439 CG GLU A 99 3.010 15.237 -8.702 1.00 0.00 C ATOM 440 CD GLU A 99 1.936 14.648 -9.596 1.00 0.00 C ATOM 441 OE1 GLU A 99 0.778 15.110 -9.515 1.00 0.00 O ATOM 442 OE2 GLU A 99 2.253 13.726 -10.376 1.00 0.00 O ATOM 0 H GLU A 99 0.865 14.751 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 99 2.243 13.190 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.602 15.785 -7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.278 15.953 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.263 16.237 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.914 14.633 -8.780 1.00 0.00 H new ATOM 449 N ASP A 100 4.260 14.261 -4.896 1.00 0.00 N ATOM 450 CA ASP A 100 5.543 14.016 -4.249 1.00 0.00 C ATOM 451 C ASP A 100 5.668 12.556 -3.824 1.00 0.00 C ATOM 452 O ASP A 100 6.751 11.973 -3.878 1.00 0.00 O ATOM 453 CB ASP A 100 5.709 14.930 -3.034 1.00 0.00 C ATOM 454 CG ASP A 100 6.355 16.255 -3.390 1.00 0.00 C ATOM 455 OD1 ASP A 100 7.019 16.326 -4.445 1.00 0.00 O ATOM 456 OD2 ASP A 100 6.196 17.220 -2.614 1.00 0.00 O ATOM 0 H ASP A 100 3.691 14.978 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 100 6.332 14.235 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.733 15.114 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.315 14.424 -2.282 1.00 0.00 H new ATOM 461 N HIS A 101 4.552 11.972 -3.400 1.00 0.00 N ATOM 462 CA HIS A 101 4.536 10.579 -2.965 1.00 0.00 C ATOM 463 C HIS A 101 3.113 10.121 -2.662 1.00 0.00 C ATOM 464 O HIS A 101 2.245 10.932 -2.338 1.00 0.00 O ATOM 465 CB HIS A 101 5.416 10.399 -1.728 1.00 0.00 C ATOM 466 CG HIS A 101 4.876 11.075 -0.505 1.00 0.00 C ATOM 467 ND1 HIS A 101 4.838 12.445 -0.357 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.348 10.560 0.630 1.00 0.00 C ATOM 469 CE1 HIS A 101 4.312 12.744 0.817 1.00 0.00 C ATOM 470 NE2 HIS A 101 4.006 11.618 1.436 1.00 0.00 N ATOM 0 H HIS A 101 3.648 12.441 -3.348 1.00 0.00 H new ATOM 0 HA HIS A 101 4.931 9.967 -3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.529 9.334 -1.524 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.411 10.790 -1.940 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.220 9.512 0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.158 13.740 1.205 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.584 11.546 2.362 1.00 0.00 H new ATOM 479 N TYR A 102 2.880 8.818 -2.771 1.00 0.00 N ATOM 480 CA TYR A 102 1.562 8.252 -2.513 1.00 0.00 C ATOM 481 C TYR A 102 1.586 7.357 -1.277 1.00 0.00 C ATOM 482 O TYR A 102 2.556 6.637 -1.036 1.00 0.00 O ATOM 483 CB TYR A 102 1.079 7.454 -3.725 1.00 0.00 C ATOM 484 CG TYR A 102 1.092 8.245 -5.014 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.277 8.761 -5.524 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.081 8.474 -5.723 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.293 9.484 -6.700 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.074 9.195 -6.901 1.00 0.00 C ATOM 489 CZ TYR A 102 1.115 9.698 -7.386 1.00 0.00 C ATOM 490 OH TYR A 102 1.127 10.417 -8.559 1.00 0.00 O ATOM 0 H TYR A 102 3.588 8.133 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 102 0.871 9.075 -2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.708 6.572 -3.843 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.066 7.100 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.201 8.594 -4.991 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.014 8.081 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.223 9.880 -7.081 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.995 9.364 -7.439 1.00 0.00 H new ATOM 0 HH TYR A 102 1.093 9.801 -9.321 1.00 0.00 H new ATOM 500 N LEU A 103 0.511 7.406 -0.498 1.00 0.00 N ATOM 501 CA LEU A 103 0.406 6.600 0.713 1.00 0.00 C ATOM 502 C LEU A 103 -0.495 5.390 0.485 1.00 0.00 C ATOM 503 O LEU A 103 -1.711 5.525 0.351 1.00 0.00 O ATOM 504 CB LEU A 103 -0.137 7.445 1.866 1.00 0.00 C ATOM 505 CG LEU A 103 0.891 8.284 2.626 1.00 0.00 C ATOM 506 CD1 LEU A 103 1.965 7.394 3.230 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.513 9.325 1.707 1.00 0.00 C ATOM 0 H LEU A 103 -0.300 7.996 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 103 1.403 6.244 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.902 8.114 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.630 6.781 2.576 1.00 0.00 H new ATOM 0 HG LEU A 103 0.380 8.803 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.687 8.009 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.506 6.687 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.473 6.847 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.242 9.913 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.009 8.826 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.734 9.983 1.323 1.00 0.00 H new ATOM 519 N VAL A 104 0.111 4.207 0.445 1.00 0.00 N ATOM 520 CA VAL A 104 -0.637 2.973 0.237 1.00 0.00 C ATOM 521 C VAL A 104 -0.565 2.073 1.465 1.00 0.00 C ATOM 522 O VAL A 104 0.508 1.596 1.835 1.00 0.00 O ATOM 523 CB VAL A 104 -0.111 2.197 -0.986 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.225 1.378 -1.619 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.502 3.152 -1.999 1.00 0.00 C ATOM 0 H VAL A 104 1.117 4.078 0.554 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.674 3.258 0.059 1.00 0.00 H new ATOM 0 HB VAL A 104 0.666 1.510 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.834 0.837 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.613 0.667 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.027 2.042 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.868 2.587 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.253 3.865 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.331 3.689 -1.538 1.00 0.00 H new ATOM 535 N GLU A 105 -1.714 1.845 2.094 1.00 0.00 N ATOM 536 CA GLU A 105 -1.780 1.002 3.282 1.00 0.00 C ATOM 537 C GLU A 105 -1.666 -0.473 2.909 1.00 0.00 C ATOM 538 O GLU A 105 -2.612 -1.070 2.396 1.00 0.00 O ATOM 539 CB GLU A 105 -3.087 1.249 4.037 1.00 0.00 C ATOM 540 CG GLU A 105 -3.322 0.277 5.181 1.00 0.00 C ATOM 541 CD GLU A 105 -4.728 0.366 5.743 1.00 0.00 C ATOM 542 OE1 GLU A 105 -5.179 1.493 6.039 1.00 0.00 O ATOM 543 OE2 GLU A 105 -5.377 -0.691 5.887 1.00 0.00 O ATOM 0 H GLU A 105 -2.611 2.232 1.801 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.941 1.261 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -3.083 2.266 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.920 1.181 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.138 -0.739 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.604 0.477 5.976 1.00 0.00 H new ATOM 550 N VAL A 106 -0.500 -1.055 3.171 1.00 0.00 N ATOM 551 CA VAL A 106 -0.261 -2.460 2.864 1.00 0.00 C ATOM 552 C VAL A 106 -0.036 -3.270 4.135 1.00 0.00 C ATOM 553 O VAL A 106 0.874 -2.984 4.912 1.00 0.00 O ATOM 554 CB VAL A 106 0.957 -2.633 1.937 1.00 0.00 C ATOM 555 CG1 VAL A 106 1.094 -4.083 1.500 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.843 -1.713 0.731 1.00 0.00 C ATOM 0 H VAL A 106 0.294 -0.575 3.595 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.152 -2.828 2.355 1.00 0.00 H new ATOM 0 HB VAL A 106 1.855 -2.359 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.960 -4.186 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.225 -4.717 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.196 -4.388 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.712 -1.848 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.063 -1.954 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.798 -0.677 1.067 1.00 0.00 H new ATOM 566 N GLU A 107 -0.872 -4.283 4.341 1.00 0.00 N ATOM 567 CA GLU A 107 -0.765 -5.134 5.520 1.00 0.00 C ATOM 568 C GLU A 107 -0.884 -4.311 6.799 1.00 0.00 C ATOM 569 O GLU A 107 -0.285 -4.641 7.821 1.00 0.00 O ATOM 570 CB GLU A 107 0.565 -5.892 5.509 1.00 0.00 C ATOM 571 CG GLU A 107 0.600 -7.046 4.522 1.00 0.00 C ATOM 572 CD GLU A 107 -0.239 -8.226 4.974 1.00 0.00 C ATOM 573 OE1 GLU A 107 -1.446 -8.031 5.231 1.00 0.00 O ATOM 574 OE2 GLU A 107 0.310 -9.343 5.071 1.00 0.00 O ATOM 0 H GLU A 107 -1.630 -4.534 3.707 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.585 -5.852 5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.368 -5.195 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.763 -6.275 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.242 -6.701 3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.632 -7.370 4.384 1.00 0.00 H new ATOM 581 N GLY A 108 -1.662 -3.234 6.732 1.00 0.00 N ATOM 582 CA GLY A 108 -1.845 -2.379 7.890 1.00 0.00 C ATOM 583 C GLY A 108 -0.671 -1.447 8.114 1.00 0.00 C ATOM 584 O GLY A 108 -0.397 -1.042 9.244 1.00 0.00 O ATOM 0 H GLY A 108 -2.168 -2.939 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -2.753 -1.790 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.988 -2.998 8.776 1.00 0.00 H new ATOM 588 N ASP A 109 0.026 -1.106 7.036 1.00 0.00 N ATOM 589 CA ASP A 109 1.177 -0.215 7.119 1.00 0.00 C ATOM 590 C ASP A 109 1.268 0.673 5.882 1.00 0.00 C ATOM 591 O ASP A 109 1.468 0.187 4.769 1.00 0.00 O ATOM 592 CB ASP A 109 2.465 -1.026 7.276 1.00 0.00 C ATOM 593 CG ASP A 109 2.689 -1.487 8.702 1.00 0.00 C ATOM 594 OD1 ASP A 109 2.459 -0.683 9.630 1.00 0.00 O ATOM 595 OD2 ASP A 109 3.092 -2.654 8.892 1.00 0.00 O ATOM 0 H ASP A 109 -0.186 -1.433 6.094 1.00 0.00 H new ATOM 0 HA ASP A 109 1.049 0.424 7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.426 -1.894 6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.313 -0.421 6.955 1.00 0.00 H new ATOM 600 N LYS A 110 1.120 1.978 6.085 1.00 0.00 N ATOM 601 CA LYS A 110 1.184 2.936 4.988 1.00 0.00 C ATOM 602 C LYS A 110 2.597 3.014 4.417 1.00 0.00 C ATOM 603 O LYS A 110 3.544 3.358 5.124 1.00 0.00 O ATOM 604 CB LYS A 110 0.738 4.320 5.464 1.00 0.00 C ATOM 605 CG LYS A 110 -0.720 4.376 5.887 1.00 0.00 C ATOM 606 CD LYS A 110 -1.212 5.809 6.002 1.00 0.00 C ATOM 607 CE LYS A 110 -0.847 6.418 7.347 1.00 0.00 C ATOM 608 NZ LYS A 110 -1.840 6.070 8.401 1.00 0.00 N ATOM 0 H LYS A 110 0.955 2.396 7.000 1.00 0.00 H new ATOM 0 HA LYS A 110 0.510 2.595 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.363 4.626 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.904 5.041 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.331 3.838 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.842 3.870 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.780 6.408 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.294 5.835 5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.140 6.068 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.785 7.502 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.556 6.504 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.778 6.426 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.881 5.037 8.512 1.00 0.00 H new ATOM 622 N TRP A 111 2.730 2.695 3.135 1.00 0.00 N ATOM 623 CA TRP A 111 4.027 2.731 2.469 1.00 0.00 C ATOM 624 C TRP A 111 4.150 3.965 1.583 1.00 0.00 C ATOM 625 O TRP A 111 3.178 4.692 1.377 1.00 0.00 O ATOM 626 CB TRP A 111 4.230 1.466 1.633 1.00 0.00 C ATOM 627 CG TRP A 111 4.393 0.227 2.460 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.396 -0.559 2.965 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.626 -0.367 2.881 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.936 -1.606 3.673 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.302 -1.511 3.636 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.973 -0.045 2.691 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.276 -2.330 4.201 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.938 -0.859 3.252 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.586 -1.991 3.999 1.00 0.00 C ATOM 0 H TRP A 111 1.956 2.409 2.536 1.00 0.00 H new ATOM 0 HA TRP A 111 4.800 2.779 3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 111 3.377 1.339 0.966 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.111 1.593 1.004 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.339 -0.383 2.828 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.405 -2.336 4.149 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.254 0.825 2.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 6.007 -3.202 4.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.982 -0.619 3.112 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.364 -2.608 4.424 1.00 0.00 H new ATOM 646 N ILE A 112 5.350 4.197 1.062 1.00 0.00 N ATOM 647 CA ILE A 112 5.599 5.344 0.197 1.00 0.00 C ATOM 648 C ILE A 112 5.866 4.902 -1.238 1.00 0.00 C ATOM 649 O ILE A 112 7.003 4.610 -1.607 1.00 0.00 O ATOM 650 CB ILE A 112 6.794 6.177 0.696 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.521 6.704 2.107 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.074 7.327 -0.260 1.00 0.00 C ATOM 653 CD1 ILE A 112 6.783 5.685 3.194 1.00 0.00 C ATOM 0 H ILE A 112 6.165 3.606 1.224 1.00 0.00 H new ATOM 0 HA ILE A 112 4.701 5.961 0.224 1.00 0.00 H new ATOM 0 HB ILE A 112 7.676 5.537 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.143 7.581 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.483 7.031 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.921 7.907 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.306 6.930 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.196 7.969 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.569 6.127 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.142 4.817 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.828 5.376 3.158 1.00 0.00 H new ATOM 665 N ALA A 113 4.810 4.858 -2.044 1.00 0.00 N ATOM 666 CA ALA A 113 4.930 4.457 -3.440 1.00 0.00 C ATOM 667 C ALA A 113 4.537 5.596 -4.375 1.00 0.00 C ATOM 668 O ALA A 113 3.947 6.588 -3.946 1.00 0.00 O ATOM 669 CB ALA A 113 4.074 3.229 -3.712 1.00 0.00 C ATOM 0 H ALA A 113 3.861 5.095 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 113 5.974 4.209 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.173 2.941 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 113 4.404 2.407 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.030 3.458 -3.496 1.00 0.00 H new ATOM 675 N TYR A 114 4.869 5.447 -5.652 1.00 0.00 N ATOM 676 CA TYR A 114 4.554 6.465 -6.647 1.00 0.00 C ATOM 677 C TYR A 114 3.939 5.837 -7.894 1.00 0.00 C ATOM 678 O TYR A 114 4.458 4.857 -8.429 1.00 0.00 O ATOM 679 CB TYR A 114 5.813 7.248 -7.024 1.00 0.00 C ATOM 680 CG TYR A 114 7.078 6.422 -6.966 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.595 5.993 -5.750 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.758 6.073 -8.126 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.752 5.239 -5.691 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.914 5.319 -8.077 1.00 0.00 C ATOM 685 CZ TYR A 114 9.407 4.905 -6.858 1.00 0.00 C ATOM 686 OH TYR A 114 10.559 4.154 -6.805 1.00 0.00 O ATOM 0 H TYR A 114 5.356 4.631 -6.023 1.00 0.00 H new ATOM 0 HA TYR A 114 3.826 7.149 -6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.695 7.647 -8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 114 5.915 8.101 -6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.084 6.253 -4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.376 6.397 -9.083 1.00 0.00 H new ATOM 0 HE1 TYR A 114 9.141 4.914 -4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 114 9.429 5.055 -8.989 1.00 0.00 H new ATOM 0 HH TYR A 114 10.895 4.005 -7.714 1.00 0.00 H new ATOM 696 N SER A 115 2.831 6.409 -8.353 1.00 0.00 N ATOM 697 CA SER A 115 2.143 5.904 -9.535 1.00 0.00 C ATOM 698 C SER A 115 1.827 7.038 -10.506 1.00 0.00 C ATOM 699 O SER A 115 0.949 7.863 -10.250 1.00 0.00 O ATOM 700 CB SER A 115 0.852 5.187 -9.133 1.00 0.00 C ATOM 701 OG SER A 115 1.129 4.036 -8.354 1.00 0.00 O ATOM 0 H SER A 115 2.390 7.223 -7.924 1.00 0.00 H new ATOM 0 HA SER A 115 2.804 5.195 -10.034 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.215 5.868 -8.568 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.298 4.900 -10.027 1.00 0.00 H new ATOM 0 HG SER A 115 0.839 3.235 -8.839 1.00 0.00 H new ATOM 707 N ASP A 116 2.548 7.072 -11.621 1.00 0.00 N ATOM 708 CA ASP A 116 2.346 8.103 -12.632 1.00 0.00 C ATOM 709 C ASP A 116 0.865 8.251 -12.968 1.00 0.00 C ATOM 710 O ASP A 116 0.419 9.315 -13.395 1.00 0.00 O ATOM 711 CB ASP A 116 3.138 7.770 -13.897 1.00 0.00 C ATOM 712 CG ASP A 116 2.830 8.718 -15.039 1.00 0.00 C ATOM 713 OD1 ASP A 116 2.891 9.947 -14.823 1.00 0.00 O ATOM 714 OD2 ASP A 116 2.530 8.232 -16.149 1.00 0.00 O ATOM 0 H ASP A 116 3.278 6.397 -11.848 1.00 0.00 H new ATOM 0 HA ASP A 116 2.705 9.049 -12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.204 7.808 -13.675 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.912 6.749 -14.205 1.00 0.00 H new ATOM 719 N GLU A 117 0.109 7.175 -12.772 1.00 0.00 N ATOM 720 CA GLU A 117 -1.322 7.186 -13.057 1.00 0.00 C ATOM 721 C GLU A 117 -2.109 7.731 -11.869 1.00 0.00 C ATOM 722 O GLU A 117 -2.146 7.120 -10.800 1.00 0.00 O ATOM 723 CB GLU A 117 -1.806 5.775 -13.400 1.00 0.00 C ATOM 724 CG GLU A 117 -1.714 4.801 -12.237 1.00 0.00 C ATOM 725 CD GLU A 117 -1.740 3.353 -12.687 1.00 0.00 C ATOM 726 OE1 GLU A 117 -2.473 3.044 -13.650 1.00 0.00 O ATOM 727 OE2 GLU A 117 -1.027 2.529 -12.076 1.00 0.00 O ATOM 0 H GLU A 117 0.462 6.286 -12.418 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.492 7.839 -13.913 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -2.841 5.827 -13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -1.217 5.390 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.795 4.989 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.542 4.980 -11.552 1.00 0.00 H new ATOM 734 N LYS A 118 -2.737 8.886 -12.063 1.00 0.00 N ATOM 735 CA LYS A 118 -3.524 9.515 -11.010 1.00 0.00 C ATOM 736 C LYS A 118 -4.467 8.508 -10.359 1.00 0.00 C ATOM 737 O LYS A 118 -5.379 7.990 -11.004 1.00 0.00 O ATOM 738 CB LYS A 118 -4.327 10.689 -11.577 1.00 0.00 C ATOM 739 CG LYS A 118 -3.515 11.963 -11.732 1.00 0.00 C ATOM 740 CD LYS A 118 -3.463 12.752 -10.434 1.00 0.00 C ATOM 741 CE LYS A 118 -3.061 14.199 -10.678 1.00 0.00 C ATOM 742 NZ LYS A 118 -2.426 14.808 -9.476 1.00 0.00 N ATOM 0 H LYS A 118 -2.716 9.405 -12.941 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.836 9.886 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.732 10.406 -12.549 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -5.176 10.887 -10.923 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.502 11.714 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.951 12.581 -12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.438 12.721 -9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.752 12.286 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.368 14.247 -11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.941 14.778 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.809 15.763 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.628 14.221 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.397 14.866 -9.618 1.00 0.00 H new ATOM 756 N LEU A 119 -4.242 8.236 -9.078 1.00 0.00 N ATOM 757 CA LEU A 119 -5.073 7.292 -8.339 1.00 0.00 C ATOM 758 C LEU A 119 -6.247 8.004 -7.675 1.00 0.00 C ATOM 759 O LEU A 119 -6.317 9.233 -7.666 1.00 0.00 O ATOM 760 CB LEU A 119 -4.238 6.566 -7.283 1.00 0.00 C ATOM 761 CG LEU A 119 -2.929 5.946 -7.772 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.272 5.141 -6.661 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.175 5.072 -8.993 1.00 0.00 C ATOM 0 H LEU A 119 -3.491 8.656 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.468 6.562 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.007 7.271 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.849 5.777 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.253 6.752 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.342 4.707 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.059 5.795 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.944 4.344 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.232 4.639 -9.327 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.870 4.273 -8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.600 5.677 -9.794 1.00 0.00 H new ATOM 775 N SER A 120 -7.167 7.223 -7.117 1.00 0.00 N ATOM 776 CA SER A 120 -8.340 7.778 -6.452 1.00 0.00 C ATOM 777 C SER A 120 -8.357 7.398 -4.974 1.00 0.00 C ATOM 778 O SER A 120 -8.108 6.247 -4.614 1.00 0.00 O ATOM 779 CB SER A 120 -9.619 7.287 -7.131 1.00 0.00 C ATOM 780 OG SER A 120 -9.400 7.031 -8.508 1.00 0.00 O ATOM 0 H SER A 120 -7.122 6.204 -7.112 1.00 0.00 H new ATOM 0 HA SER A 120 -8.291 8.864 -6.530 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.969 6.379 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.405 8.034 -7.017 1.00 0.00 H new ATOM 0 HG SER A 120 -10.232 6.717 -8.919 1.00 0.00 H new ATOM 786 N LEU A 121 -8.651 8.374 -4.122 1.00 0.00 N ATOM 787 CA LEU A 121 -8.701 8.143 -2.683 1.00 0.00 C ATOM 788 C LEU A 121 -9.685 7.028 -2.344 1.00 0.00 C ATOM 789 O LEU A 121 -10.849 7.073 -2.738 1.00 0.00 O ATOM 790 CB LEU A 121 -9.098 9.428 -1.954 1.00 0.00 C ATOM 791 CG LEU A 121 -8.019 10.508 -1.861 1.00 0.00 C ATOM 792 CD1 LEU A 121 -8.617 11.820 -1.378 1.00 0.00 C ATOM 793 CD2 LEU A 121 -6.894 10.061 -0.939 1.00 0.00 C ATOM 0 H LEU A 121 -8.858 9.332 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.708 7.838 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.967 9.853 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.410 9.167 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.604 10.666 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -7.834 12.576 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -9.386 12.148 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.060 11.677 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.136 10.842 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.293 9.874 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.446 9.147 -1.328 1.00 0.00 H new ATOM 805 N GLY A 122 -9.209 6.029 -1.607 1.00 0.00 N ATOM 806 CA GLY A 122 -10.060 4.918 -1.225 1.00 0.00 C ATOM 807 C GLY A 122 -9.988 3.767 -2.209 1.00 0.00 C ATOM 808 O GLY A 122 -10.651 2.746 -2.030 1.00 0.00 O ATOM 0 H GLY A 122 -8.249 5.970 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.769 4.565 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.091 5.263 -1.150 1.00 0.00 H new ATOM 812 N ASP A 123 -9.181 3.932 -3.252 1.00 0.00 N ATOM 813 CA ASP A 123 -9.025 2.899 -4.269 1.00 0.00 C ATOM 814 C ASP A 123 -7.981 1.871 -3.843 1.00 0.00 C ATOM 815 O ASP A 123 -7.006 2.204 -3.169 1.00 0.00 O ATOM 816 CB ASP A 123 -8.626 3.525 -5.606 1.00 0.00 C ATOM 817 CG ASP A 123 -8.160 2.492 -6.613 1.00 0.00 C ATOM 818 OD1 ASP A 123 -8.991 1.665 -7.042 1.00 0.00 O ATOM 819 OD2 ASP A 123 -6.963 2.510 -6.971 1.00 0.00 O ATOM 0 H ASP A 123 -8.625 4.771 -3.415 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.983 2.392 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.476 4.071 -6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.830 4.252 -5.441 1.00 0.00 H new ATOM 824 N ARG A 124 -8.194 0.620 -4.239 1.00 0.00 N ATOM 825 CA ARG A 124 -7.273 -0.457 -3.896 1.00 0.00 C ATOM 826 C ARG A 124 -6.221 -0.640 -4.986 1.00 0.00 C ATOM 827 O ARG A 124 -6.451 -0.304 -6.148 1.00 0.00 O ATOM 828 CB ARG A 124 -8.039 -1.764 -3.686 1.00 0.00 C ATOM 829 CG ARG A 124 -8.455 -2.441 -4.982 1.00 0.00 C ATOM 830 CD ARG A 124 -8.510 -3.953 -4.828 1.00 0.00 C ATOM 831 NE ARG A 124 -9.843 -4.417 -4.453 1.00 0.00 N ATOM 832 CZ ARG A 124 -10.277 -4.470 -3.198 1.00 0.00 C ATOM 833 NH1 ARG A 124 -9.487 -4.089 -2.204 1.00 0.00 N ATOM 834 NH2 ARG A 124 -11.503 -4.903 -2.937 1.00 0.00 N ATOM 0 H ARG A 124 -8.996 0.328 -4.797 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.767 -0.188 -2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.418 -2.451 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.929 -1.562 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.432 -2.070 -5.290 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.751 -2.180 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.213 -4.424 -5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -7.791 -4.267 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.476 -4.717 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.544 -3.754 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.822 -4.131 -1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.114 -5.196 -3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.835 -4.943 -1.973 1.00 0.00 H new ATOM 848 N VAL A 125 -5.066 -1.175 -4.603 1.00 0.00 N ATOM 849 CA VAL A 125 -3.979 -1.404 -5.547 1.00 0.00 C ATOM 850 C VAL A 125 -3.076 -2.540 -5.080 1.00 0.00 C ATOM 851 O VAL A 125 -3.024 -2.857 -3.892 1.00 0.00 O ATOM 852 CB VAL A 125 -3.129 -0.135 -5.742 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.977 0.993 -6.311 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.484 0.282 -4.429 1.00 0.00 C ATOM 0 H VAL A 125 -4.859 -1.458 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.437 -1.675 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.335 -0.357 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.360 1.882 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.386 0.690 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.793 1.216 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.887 1.180 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.260 0.486 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.842 -0.521 -4.068 1.00 0.00 H new ATOM 864 N MET A 126 -2.365 -3.149 -6.023 1.00 0.00 N ATOM 865 CA MET A 126 -1.461 -4.250 -5.708 1.00 0.00 C ATOM 866 C MET A 126 -0.010 -3.846 -5.944 1.00 0.00 C ATOM 867 O MET A 126 0.309 -3.189 -6.935 1.00 0.00 O ATOM 868 CB MET A 126 -1.805 -5.478 -6.552 1.00 0.00 C ATOM 869 CG MET A 126 -1.070 -6.737 -6.121 1.00 0.00 C ATOM 870 SD MET A 126 -1.962 -8.244 -6.551 1.00 0.00 S ATOM 871 CE MET A 126 -1.710 -8.293 -8.324 1.00 0.00 C ATOM 0 H MET A 126 -2.397 -2.899 -7.011 1.00 0.00 H new ATOM 0 HA MET A 126 -1.584 -4.498 -4.654 1.00 0.00 H new ATOM 0 HB2 MET A 126 -2.879 -5.657 -6.497 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.570 -5.269 -7.596 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.086 -6.756 -6.588 1.00 0.00 H new ATOM 0 HG3 MET A 126 -0.911 -6.709 -5.043 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.204 -9.172 -8.738 1.00 0.00 H new ATOM 0 HE2 MET A 126 -2.130 -7.394 -8.776 1.00 0.00 H new ATOM 0 HE3 MET A 126 -0.642 -8.342 -8.539 1.00 0.00 H new ATOM 881 N VAL A 127 0.867 -4.243 -5.028 1.00 0.00 N ATOM 882 CA VAL A 127 2.286 -3.923 -5.137 1.00 0.00 C ATOM 883 C VAL A 127 2.954 -4.756 -6.225 1.00 0.00 C ATOM 884 O VAL A 127 3.204 -5.948 -6.044 1.00 0.00 O ATOM 885 CB VAL A 127 3.018 -4.157 -3.803 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.498 -3.831 -3.941 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.383 -3.331 -2.694 1.00 0.00 C ATOM 0 H VAL A 127 0.620 -4.787 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 127 2.354 -2.867 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 127 2.926 -5.210 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.999 -4.002 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.942 -4.470 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.615 -2.786 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.913 -3.509 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.442 -2.273 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.338 -3.619 -2.579 1.00 0.00 H new ATOM 897 N VAL A 128 3.243 -4.120 -7.356 1.00 0.00 N ATOM 898 CA VAL A 128 3.885 -4.802 -8.473 1.00 0.00 C ATOM 899 C VAL A 128 5.313 -5.207 -8.123 1.00 0.00 C ATOM 900 O VAL A 128 5.756 -6.307 -8.454 1.00 0.00 O ATOM 901 CB VAL A 128 3.909 -3.915 -9.733 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.169 -4.756 -10.973 1.00 0.00 C ATOM 903 CG2 VAL A 128 2.605 -3.143 -9.865 1.00 0.00 C ATOM 0 H VAL A 128 3.043 -3.134 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 128 3.297 -5.696 -8.678 1.00 0.00 H new ATOM 0 HB VAL A 128 4.722 -3.196 -9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.182 -4.113 -11.853 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.131 -5.259 -10.876 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.380 -5.500 -11.080 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.639 -2.522 -10.760 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.773 -3.844 -9.941 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.467 -2.510 -8.989 1.00 0.00 H new ATOM 913 N ASP A 129 6.028 -4.312 -7.451 1.00 0.00 N ATOM 914 CA ASP A 129 7.406 -4.576 -7.053 1.00 0.00 C ATOM 915 C ASP A 129 7.825 -3.664 -5.905 1.00 0.00 C ATOM 916 O ASP A 129 7.347 -2.535 -5.789 1.00 0.00 O ATOM 917 CB ASP A 129 8.348 -4.385 -8.243 1.00 0.00 C ATOM 918 CG ASP A 129 9.792 -4.684 -7.892 1.00 0.00 C ATOM 919 OD1 ASP A 129 10.023 -5.473 -6.951 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.691 -4.129 -8.557 1.00 0.00 O ATOM 0 H ASP A 129 5.676 -3.397 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 129 7.468 -5.610 -6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.034 -5.035 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.270 -3.359 -8.604 1.00 0.00 H new ATOM 925 N VAL A 130 8.719 -4.161 -5.057 1.00 0.00 N ATOM 926 CA VAL A 130 9.203 -3.391 -3.917 1.00 0.00 C ATOM 927 C VAL A 130 10.713 -3.193 -3.989 1.00 0.00 C ATOM 928 O VAL A 130 11.479 -4.155 -3.935 1.00 0.00 O ATOM 929 CB VAL A 130 8.849 -4.078 -2.585 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.395 -3.280 -1.411 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.344 -4.260 -2.463 1.00 0.00 C ATOM 0 H VAL A 130 9.123 -5.094 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 130 8.710 -2.420 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 130 9.313 -5.064 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 130 9.135 -3.781 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 130 10.479 -3.207 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 130 8.962 -2.280 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.112 -4.747 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.856 -3.286 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.984 -4.877 -3.286 1.00 0.00 H new ATOM 941 N ASP A 131 11.134 -1.939 -4.110 1.00 0.00 N ATOM 942 CA ASP A 131 12.553 -1.613 -4.187 1.00 0.00 C ATOM 943 C ASP A 131 13.046 -1.014 -2.873 1.00 0.00 C ATOM 944 O ASP A 131 13.756 -0.010 -2.864 1.00 0.00 O ATOM 945 CB ASP A 131 12.812 -0.636 -5.335 1.00 0.00 C ATOM 946 CG ASP A 131 12.757 -1.310 -6.692 1.00 0.00 C ATOM 947 OD1 ASP A 131 13.644 -2.141 -6.979 1.00 0.00 O ATOM 948 OD2 ASP A 131 11.826 -1.007 -7.467 1.00 0.00 O ATOM 0 H ASP A 131 10.513 -1.131 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 131 13.102 -2.536 -4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.074 0.165 -5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 131 13.790 -0.174 -5.201 1.00 0.00 H new ATOM 953 N GLY A 132 12.661 -1.638 -1.764 1.00 0.00 N ATOM 954 CA GLY A 132 13.072 -1.153 -0.459 1.00 0.00 C ATOM 955 C GLY A 132 11.939 -0.482 0.292 1.00 0.00 C ATOM 956 O GLY A 132 10.968 -1.134 0.679 1.00 0.00 O ATOM 0 H GLY A 132 12.072 -2.471 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.452 -1.986 0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.893 -0.446 -0.579 1.00 0.00 H new ATOM 960 N LEU A 133 12.063 0.824 0.502 1.00 0.00 N ATOM 961 CA LEU A 133 11.042 1.585 1.215 1.00 0.00 C ATOM 962 C LEU A 133 9.922 2.010 0.271 1.00 0.00 C ATOM 963 O LEU A 133 8.977 2.688 0.676 1.00 0.00 O ATOM 964 CB LEU A 133 11.663 2.816 1.875 1.00 0.00 C ATOM 965 CG LEU A 133 12.621 2.545 3.036 1.00 0.00 C ATOM 966 CD1 LEU A 133 13.603 3.694 3.197 1.00 0.00 C ATOM 967 CD2 LEU A 133 11.845 2.318 4.325 1.00 0.00 C ATOM 0 H LEU A 133 12.860 1.378 0.189 1.00 0.00 H new ATOM 0 HA LEU A 133 10.618 0.943 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.199 3.381 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.857 3.455 2.237 1.00 0.00 H new ATOM 0 HG LEU A 133 13.187 1.641 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 133 14.276 3.483 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 133 14.182 3.809 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 133 13.056 4.615 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 133 12.542 2.127 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 133 11.253 3.204 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 133 11.183 1.460 4.205 1.00 0.00 H new ATOM 979 N LYS A 134 10.032 1.605 -0.990 1.00 0.00 N ATOM 980 CA LYS A 134 9.028 1.941 -1.993 1.00 0.00 C ATOM 981 C LYS A 134 8.395 0.680 -2.573 1.00 0.00 C ATOM 982 O LYS A 134 8.948 -0.415 -2.454 1.00 0.00 O ATOM 983 CB LYS A 134 9.656 2.772 -3.114 1.00 0.00 C ATOM 984 CG LYS A 134 10.528 3.910 -2.614 1.00 0.00 C ATOM 985 CD LYS A 134 9.695 5.109 -2.195 1.00 0.00 C ATOM 986 CE LYS A 134 10.447 6.413 -2.411 1.00 0.00 C ATOM 987 NZ LYS A 134 10.199 6.979 -3.766 1.00 0.00 N ATOM 0 H LYS A 134 10.807 1.043 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 134 8.248 2.527 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 134 10.255 2.118 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 134 8.863 3.181 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.125 3.568 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.225 4.206 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 134 8.766 5.125 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.423 5.015 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.144 7.137 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.515 6.242 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 11.014 6.779 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 9.345 6.546 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.065 8.008 -3.693 1.00 0.00 H new ATOM 1001 N LEU A 135 7.236 0.841 -3.201 1.00 0.00 N ATOM 1002 CA LEU A 135 6.529 -0.285 -3.801 1.00 0.00 C ATOM 1003 C LEU A 135 5.527 0.196 -4.847 1.00 0.00 C ATOM 1004 O LEU A 135 4.489 0.765 -4.511 1.00 0.00 O ATOM 1005 CB LEU A 135 5.808 -1.094 -2.722 1.00 0.00 C ATOM 1006 CG LEU A 135 5.371 -0.316 -1.480 1.00 0.00 C ATOM 1007 CD1 LEU A 135 4.125 -0.941 -0.870 1.00 0.00 C ATOM 1008 CD2 LEU A 135 6.498 -0.264 -0.459 1.00 0.00 C ATOM 0 H LEU A 135 6.766 1.740 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 135 7.263 -0.922 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.925 -1.552 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.463 -1.906 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 135 5.132 0.704 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.829 -0.374 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.316 -0.926 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.337 -1.972 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 135 6.169 0.293 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 135 6.769 -1.278 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.365 0.230 -0.899 1.00 0.00 H new ATOM 1020 N LYS A 136 5.846 -0.039 -6.115 1.00 0.00 N ATOM 1021 CA LYS A 136 4.973 0.367 -7.211 1.00 0.00 C ATOM 1022 C LYS A 136 3.594 -0.269 -7.072 1.00 0.00 C ATOM 1023 O LYS A 136 3.473 -1.481 -6.895 1.00 0.00 O ATOM 1024 CB LYS A 136 5.593 -0.023 -8.555 1.00 0.00 C ATOM 1025 CG LYS A 136 6.764 0.855 -8.962 1.00 0.00 C ATOM 1026 CD LYS A 136 7.141 0.642 -10.418 1.00 0.00 C ATOM 1027 CE LYS A 136 6.147 1.311 -11.355 1.00 0.00 C ATOM 1028 NZ LYS A 136 6.534 2.715 -11.663 1.00 0.00 N ATOM 0 H LYS A 136 6.702 -0.508 -6.410 1.00 0.00 H new ATOM 0 HA LYS A 136 4.860 1.450 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.927 -1.059 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 136 4.826 0.027 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.508 1.902 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.622 0.636 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.139 1.042 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.182 -0.426 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.081 0.741 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.156 1.299 -10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.832 3.136 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.572 3.266 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.469 2.725 -12.119 1.00 0.00 H new ATOM 1042 N VAL A 137 2.555 0.557 -7.155 1.00 0.00 N ATOM 1043 CA VAL A 137 1.184 0.075 -7.041 1.00 0.00 C ATOM 1044 C VAL A 137 0.422 0.272 -8.347 1.00 0.00 C ATOM 1045 O VAL A 137 0.503 1.330 -8.972 1.00 0.00 O ATOM 1046 CB VAL A 137 0.430 0.791 -5.906 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.070 0.482 -4.561 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.392 2.291 -6.156 1.00 0.00 C ATOM 0 H VAL A 137 2.637 1.563 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 137 1.240 -0.990 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.596 0.423 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.523 0.997 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.040 -0.593 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.106 0.820 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.145 2.782 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.410 2.678 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.116 2.490 -7.099 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.319 -0.753 -8.754 1.00 0.00 N ATOM 1059 CA LYS A 138 -1.098 -0.693 -9.985 1.00 0.00 C ATOM 1060 C LYS A 138 -2.593 -0.751 -9.686 1.00 0.00 C ATOM 1061 O LYS A 138 -3.047 -1.583 -8.900 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.709 -1.844 -10.915 1.00 0.00 C ATOM 1063 CG LYS A 138 0.426 -1.501 -11.865 1.00 0.00 C ATOM 1064 CD LYS A 138 0.557 -2.533 -12.973 1.00 0.00 C ATOM 1065 CE LYS A 138 1.290 -1.965 -14.179 1.00 0.00 C ATOM 1066 NZ LYS A 138 0.358 -1.306 -15.135 1.00 0.00 N ATOM 0 H LYS A 138 -0.396 -1.636 -8.249 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.880 0.254 -10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.420 -2.705 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.582 -2.141 -11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.252 -0.517 -12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.362 -1.442 -11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 138 1.092 -3.405 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -0.434 -2.873 -13.275 1.00 0.00 H new ATOM 0 HE2 LYS A 138 2.036 -1.244 -13.844 1.00 0.00 H new ATOM 0 HE3 LYS A 138 1.826 -2.766 -14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 0.896 -0.932 -15.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -0.339 -1.999 -15.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -0.135 -0.525 -14.657 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.353 0.138 -10.318 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.796 0.187 -10.120 1.00 0.00 C ATOM 1082 C ARG A 139 -5.452 -1.116 -10.567 1.00 0.00 C ATOM 1083 O ARG A 139 -5.309 -1.531 -11.718 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.398 1.364 -10.890 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.918 1.356 -10.924 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.506 2.097 -9.734 1.00 0.00 C ATOM 1087 NE ARG A 139 -8.911 2.436 -9.939 1.00 0.00 N ATOM 1088 CZ ARG A 139 -9.888 1.536 -9.962 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -9.614 0.250 -9.793 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -11.143 1.923 -10.155 1.00 0.00 N ATOM 0 H ARG A 139 -2.993 0.834 -10.971 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.986 0.322 -9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -5.058 2.295 -10.437 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -5.020 1.350 -11.912 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.265 1.817 -11.849 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.277 0.327 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.409 1.481 -8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -6.935 3.009 -9.557 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.156 3.417 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.651 -0.051 -9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.366 -0.438 -9.811 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -11.357 2.912 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.893 1.232 -10.173 1.00 0.00 H new ATOM 1104 N ILE A 140 -6.169 -1.757 -9.650 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.846 -3.012 -9.950 1.00 0.00 C ATOM 1106 C ILE A 140 -8.341 -2.913 -9.666 1.00 0.00 C ATOM 1107 O ILE A 140 -8.771 -2.329 -8.671 1.00 0.00 O ATOM 1108 CB ILE A 140 -6.256 -4.179 -9.136 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.301 -3.859 -7.640 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.830 -4.467 -9.579 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -6.014 -5.053 -6.758 1.00 0.00 C ATOM 0 H ILE A 140 -6.296 -1.428 -8.693 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.693 -3.206 -11.012 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.858 -5.070 -9.317 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.576 -3.074 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.285 -3.462 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.427 -5.294 -8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.824 -4.733 -10.636 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -4.215 -3.580 -9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -6.063 -4.752 -5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.754 -5.831 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -5.018 -5.438 -6.979 1.00 0.00 H new