USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 MET CE :methyl 163:sc= -0.0436 (180deg=-0.527) USER MOD Set 1.2: A 89 MET CE :methyl 157:sc= -0.274 (180deg=0) USER MOD Single : A 15 SER OG : rot 36:sc= 0.0992 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.0197 (180deg=-0.224) USER MOD Single : A 20 ASN : amide:sc= 0.967 K(o=0.97,f=-5.8!) USER MOD Single : A 22 THR OG1 : rot -44:sc= 0.39 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 120:sc= 0.151 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -90:sc= 0.0845 USER MOD Single : A 44 TYR OH : rot 69:sc= 1.14 USER MOD Single : A 63 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-6.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -167:sc= -0.667 (180deg=-1.22) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.676 6.924 4.961 1.00 0.00 N ATOM 204 CA SER A 15 10.427 6.745 4.235 1.00 0.00 C ATOM 205 C SER A 15 10.123 5.281 3.954 1.00 0.00 C ATOM 206 O SER A 15 11.015 4.509 3.616 1.00 0.00 O ATOM 207 CB SER A 15 10.492 7.527 2.923 1.00 0.00 C ATOM 208 OG SER A 15 10.673 8.899 3.201 1.00 0.00 O ATOM 0 HA SER A 15 9.619 7.123 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.313 7.158 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.575 7.378 2.353 1.00 0.00 H new ATOM 0 HG SER A 15 11.259 9.000 3.980 1.00 0.00 H new ATOM 214 N LEU A 16 8.847 4.915 4.096 1.00 0.00 N ATOM 215 CA LEU A 16 8.343 3.610 3.687 1.00 0.00 C ATOM 216 C LEU A 16 7.709 3.764 2.311 1.00 0.00 C ATOM 217 O LEU A 16 7.391 4.885 1.932 1.00 0.00 O ATOM 218 CB LEU A 16 7.293 3.136 4.698 1.00 0.00 C ATOM 219 CG LEU A 16 6.825 1.693 4.467 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.958 0.704 4.728 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.648 1.379 5.382 1.00 0.00 C ATOM 0 H LEU A 16 8.134 5.522 4.501 1.00 0.00 H new ATOM 0 HA LEU A 16 9.149 2.877 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.706 3.219 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.430 3.801 4.652 1.00 0.00 H new ATOM 0 HG LEU A 16 6.515 1.596 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.601 -0.312 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.788 0.915 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.296 0.801 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.320 0.353 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.954 1.496 6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.827 2.063 5.166 1.00 0.00 H new ATOM 233 N LYS A 17 7.537 2.640 1.604 1.00 0.00 N ATOM 234 CA LYS A 17 6.884 2.507 0.305 1.00 0.00 C ATOM 235 C LYS A 17 6.077 1.208 0.312 1.00 0.00 C ATOM 236 O LYS A 17 6.550 0.176 0.786 1.00 0.00 O ATOM 237 CB LYS A 17 7.951 2.516 -0.799 1.00 0.00 C ATOM 238 CG LYS A 17 7.577 1.803 -2.102 1.00 0.00 C ATOM 239 CD LYS A 17 6.456 2.511 -2.851 1.00 0.00 C ATOM 240 CE LYS A 17 6.046 1.704 -4.083 1.00 0.00 C ATOM 241 NZ LYS A 17 7.161 1.572 -5.040 1.00 0.00 N ATOM 0 H LYS A 17 7.874 1.742 1.951 1.00 0.00 H new ATOM 0 HA LYS A 17 6.205 3.338 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.195 3.552 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.857 2.057 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.456 1.740 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.272 0.781 -1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.597 2.644 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.783 3.506 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.711 0.714 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.201 2.189 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.799 1.218 -5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.607 2.500 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.864 0.904 -4.664 1.00 0.00 H new ATOM 255 N VAL A 18 4.856 1.248 -0.219 1.00 0.00 N ATOM 256 CA VAL A 18 4.016 0.062 -0.347 1.00 0.00 C ATOM 257 C VAL A 18 3.510 -0.063 -1.767 1.00 0.00 C ATOM 258 O VAL A 18 3.161 0.957 -2.359 1.00 0.00 O ATOM 259 CB VAL A 18 2.835 0.182 0.601 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.682 -0.727 0.177 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.289 -0.164 2.011 1.00 0.00 C ATOM 0 H VAL A 18 4.424 2.102 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 18 4.602 -0.823 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 18 2.469 1.208 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.854 -0.616 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.350 -0.451 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.018 -1.764 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.445 -0.080 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.671 -1.185 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.076 0.524 2.319 1.00 0.00 H new ATOM 271 N ASP A 19 3.488 -1.314 -2.252 1.00 0.00 N ATOM 272 CA ASP A 19 3.275 -1.735 -3.634 1.00 0.00 C ATOM 273 C ASP A 19 2.408 -3.002 -3.707 1.00 0.00 C ATOM 274 O ASP A 19 2.099 -3.618 -2.688 1.00 0.00 O ATOM 275 CB ASP A 19 4.668 -1.918 -4.261 1.00 0.00 C ATOM 276 CG ASP A 19 4.818 -3.116 -5.199 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.362 -3.018 -6.357 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.394 -4.130 -4.746 1.00 0.00 O ATOM 0 H ASP A 19 3.630 -2.114 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 19 2.718 -0.986 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.920 -1.013 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.398 -2.015 -3.458 1.00 0.00 H new ATOM 283 N ASN A 20 2.025 -3.375 -4.934 1.00 0.00 N ATOM 284 CA ASN A 20 1.141 -4.482 -5.279 1.00 0.00 C ATOM 285 C ASN A 20 -0.325 -4.161 -5.005 1.00 0.00 C ATOM 286 O ASN A 20 -0.733 -4.046 -3.853 1.00 0.00 O ATOM 287 CB ASN A 20 1.573 -5.791 -4.626 1.00 0.00 C ATOM 288 CG ASN A 20 1.006 -6.972 -5.413 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.705 -6.866 -6.596 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.845 -8.112 -4.760 1.00 0.00 N ATOM 0 H ASN A 20 2.348 -2.876 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 20 1.232 -4.624 -6.356 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.661 -5.851 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.222 -5.827 -3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.463 -8.926 -5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.103 -8.176 -3.775 1.00 0.00 H new ATOM 297 N LEU A 21 -1.111 -4.017 -6.078 1.00 0.00 N ATOM 298 CA LEU A 21 -2.536 -3.719 -6.021 1.00 0.00 C ATOM 299 C LEU A 21 -3.290 -4.590 -7.018 1.00 0.00 C ATOM 300 O LEU A 21 -2.681 -5.223 -7.875 1.00 0.00 O ATOM 301 CB LEU A 21 -2.795 -2.263 -6.424 1.00 0.00 C ATOM 302 CG LEU A 21 -1.891 -1.251 -5.733 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.220 0.119 -6.321 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.104 -1.225 -4.224 1.00 0.00 C ATOM 0 H LEU A 21 -0.759 -4.108 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.871 -3.904 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.668 -2.169 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.833 -2.016 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.849 -1.525 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.592 0.877 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.034 0.108 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.269 0.352 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.438 -0.489 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.138 -0.958 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.889 -2.210 -3.809 1.00 0.00 H new ATOM 316 N THR A 22 -4.618 -4.616 -6.903 1.00 0.00 N ATOM 317 CA THR A 22 -5.477 -5.394 -7.791 1.00 0.00 C ATOM 318 C THR A 22 -6.343 -4.492 -8.661 1.00 0.00 C ATOM 319 O THR A 22 -7.281 -4.983 -9.280 1.00 0.00 O ATOM 320 CB THR A 22 -6.320 -6.369 -6.965 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.885 -7.352 -7.803 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.426 -5.653 -6.191 1.00 0.00 C ATOM 0 H THR A 22 -5.128 -4.096 -6.189 1.00 0.00 H new ATOM 0 HA THR A 22 -4.850 -5.970 -8.472 1.00 0.00 H new ATOM 0 HB THR A 22 -5.657 -6.841 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.247 -6.927 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.000 -6.382 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.982 -4.926 -5.511 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.086 -5.140 -6.890 1.00 0.00 H new ATOM 329 N TYR A 23 -6.023 -3.186 -8.695 1.00 0.00 N ATOM 330 CA TYR A 23 -6.697 -2.135 -9.459 1.00 0.00 C ATOM 331 C TYR A 23 -7.850 -1.501 -8.681 1.00 0.00 C ATOM 332 O TYR A 23 -8.427 -0.500 -9.106 1.00 0.00 O ATOM 333 CB TYR A 23 -7.122 -2.624 -10.850 1.00 0.00 C ATOM 334 CG TYR A 23 -8.605 -2.528 -11.147 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.527 -3.324 -10.449 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.050 -1.635 -12.125 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.893 -3.234 -10.746 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.417 -1.531 -12.423 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.346 -2.333 -11.734 1.00 0.00 C ATOM 340 OH TYR A 23 -12.678 -2.240 -12.019 1.00 0.00 O ATOM 0 H TYR A 23 -5.239 -2.820 -8.155 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.968 -1.341 -9.618 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.580 -2.048 -11.600 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.813 -3.663 -10.961 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.184 -4.005 -9.684 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.337 -1.021 -12.655 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.601 -3.855 -10.218 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.755 -0.838 -13.179 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.816 -1.572 -12.722 1.00 0.00 H new ATOM 350 N ARG A 24 -8.178 -2.095 -7.535 1.00 0.00 N ATOM 351 CA ARG A 24 -9.285 -1.655 -6.691 1.00 0.00 C ATOM 352 C ARG A 24 -8.883 -1.555 -5.219 1.00 0.00 C ATOM 353 O ARG A 24 -9.715 -1.250 -4.365 1.00 0.00 O ATOM 354 CB ARG A 24 -10.436 -2.636 -6.930 1.00 0.00 C ATOM 355 CG ARG A 24 -11.726 -2.256 -6.201 1.00 0.00 C ATOM 356 CD ARG A 24 -12.861 -3.155 -6.684 1.00 0.00 C ATOM 357 NE ARG A 24 -14.120 -2.833 -6.007 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.284 -3.437 -6.270 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.362 -4.401 -7.186 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.384 -3.077 -5.612 1.00 0.00 N ATOM 0 H ARG A 24 -7.678 -2.903 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.596 -0.644 -6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.637 -2.694 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.127 -3.631 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.594 -2.364 -5.124 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.969 -1.210 -6.389 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.985 -3.041 -7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.604 -4.198 -6.502 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.108 -2.105 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.527 -4.687 -7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.257 -4.853 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.339 -2.341 -4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.272 -3.537 -5.812 1.00 0.00 H new ATOM 374 N THR A 25 -7.610 -1.808 -4.901 1.00 0.00 N ATOM 375 CA THR A 25 -7.114 -1.704 -3.535 1.00 0.00 C ATOM 376 C THR A 25 -7.261 -0.271 -3.012 1.00 0.00 C ATOM 377 O THR A 25 -7.609 -0.082 -1.851 1.00 0.00 O ATOM 378 CB THR A 25 -5.653 -2.159 -3.505 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.580 -3.525 -3.831 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.027 -1.919 -2.135 1.00 0.00 C ATOM 0 H THR A 25 -6.903 -2.088 -5.581 1.00 0.00 H new ATOM 0 HA THR A 25 -7.702 -2.347 -2.880 1.00 0.00 H new ATOM 0 HB THR A 25 -5.096 -1.574 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.673 -3.854 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.989 -2.252 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.064 -0.855 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.580 -2.477 -1.380 1.00 0.00 H new ATOM 387 N SER A 26 -6.993 0.715 -3.875 1.00 0.00 N ATOM 388 CA SER A 26 -7.125 2.147 -3.622 1.00 0.00 C ATOM 389 C SER A 26 -6.338 2.697 -2.418 1.00 0.00 C ATOM 390 O SER A 26 -6.035 1.975 -1.471 1.00 0.00 O ATOM 391 CB SER A 26 -8.610 2.488 -3.510 1.00 0.00 C ATOM 392 OG SER A 26 -9.255 2.197 -4.730 1.00 0.00 O ATOM 0 H SER A 26 -6.660 0.521 -4.819 1.00 0.00 H new ATOM 0 HA SER A 26 -6.662 2.647 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.065 1.916 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.734 3.543 -3.264 1.00 0.00 H new ATOM 0 HG SER A 26 -10.208 2.415 -4.656 1.00 0.00 H new ATOM 398 N PRO A 27 -6.003 3.996 -2.452 1.00 0.00 N ATOM 399 CA PRO A 27 -5.265 4.680 -1.393 1.00 0.00 C ATOM 400 C PRO A 27 -6.037 4.737 -0.078 1.00 0.00 C ATOM 401 O PRO A 27 -5.418 4.792 0.982 1.00 0.00 O ATOM 402 CB PRO A 27 -4.994 6.088 -1.927 1.00 0.00 C ATOM 403 CG PRO A 27 -6.021 6.301 -3.039 1.00 0.00 C ATOM 404 CD PRO A 27 -6.302 4.898 -3.552 1.00 0.00 C ATOM 0 HA PRO A 27 -4.347 4.141 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.104 6.835 -1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.977 6.175 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.926 6.777 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.629 6.943 -3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.341 4.799 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.684 4.670 -4.421 1.00 0.00 H new ATOM 412 N ASP A 28 -7.370 4.729 -0.125 1.00 0.00 N ATOM 413 CA ASP A 28 -8.175 4.829 1.086 1.00 0.00 C ATOM 414 C ASP A 28 -8.052 3.582 1.944 1.00 0.00 C ATOM 415 O ASP A 28 -7.899 3.678 3.161 1.00 0.00 O ATOM 416 CB ASP A 28 -9.635 4.983 0.688 1.00 0.00 C ATOM 417 CG ASP A 28 -10.532 5.131 1.914 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.728 6.285 2.350 1.00 0.00 O ATOM 419 OD2 ASP A 28 -11.016 4.083 2.404 1.00 0.00 O ATOM 0 H ASP A 28 -7.910 4.654 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.820 5.686 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.749 5.855 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.949 4.116 0.108 1.00 0.00 H new ATOM 424 N THR A 29 -8.118 2.403 1.315 1.00 0.00 N ATOM 425 CA THR A 29 -8.043 1.159 2.067 1.00 0.00 C ATOM 426 C THR A 29 -6.655 1.057 2.658 1.00 0.00 C ATOM 427 O THR A 29 -6.502 0.690 3.820 1.00 0.00 O ATOM 428 CB THR A 29 -8.302 -0.038 1.158 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.508 0.160 0.450 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.426 -1.311 1.995 1.00 0.00 C ATOM 0 H THR A 29 -8.221 2.291 0.306 1.00 0.00 H new ATOM 0 HA THR A 29 -8.800 1.156 2.851 1.00 0.00 H new ATOM 0 HB THR A 29 -7.471 -0.138 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.327 0.154 -0.513 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.611 -2.161 1.339 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.501 -1.474 2.548 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.254 -1.207 2.696 1.00 0.00 H new ATOM 437 N LEU A 30 -5.643 1.393 1.858 1.00 0.00 N ATOM 438 CA LEU A 30 -4.269 1.366 2.306 1.00 0.00 C ATOM 439 C LEU A 30 -4.073 2.344 3.455 1.00 0.00 C ATOM 440 O LEU A 30 -3.264 2.085 4.344 1.00 0.00 O ATOM 441 CB LEU A 30 -3.359 1.757 1.144 1.00 0.00 C ATOM 442 CG LEU A 30 -3.440 0.772 -0.023 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.812 1.419 -1.254 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.700 -0.515 0.316 1.00 0.00 C ATOM 0 H LEU A 30 -5.761 1.688 0.889 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.022 0.362 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.631 2.753 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.329 1.813 1.497 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.484 0.527 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.863 0.727 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.354 2.332 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.770 1.661 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.767 -1.206 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.653 -0.290 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.150 -0.972 1.198 1.00 0.00 H new ATOM 456 N ARG A 31 -4.800 3.466 3.456 1.00 0.00 N ATOM 457 CA ARG A 31 -4.621 4.477 4.484 1.00 0.00 C ATOM 458 C ARG A 31 -4.908 3.885 5.854 1.00 0.00 C ATOM 459 O ARG A 31 -4.053 3.913 6.733 1.00 0.00 O ATOM 460 CB ARG A 31 -5.548 5.665 4.207 1.00 0.00 C ATOM 461 CG ARG A 31 -4.996 6.990 4.737 1.00 0.00 C ATOM 462 CD ARG A 31 -4.498 6.899 6.175 1.00 0.00 C ATOM 463 NE ARG A 31 -4.088 8.217 6.675 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.886 9.054 7.342 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.147 8.731 7.614 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.419 10.231 7.748 1.00 0.00 N ATOM 0 H ARG A 31 -5.511 3.689 2.759 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.588 4.826 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.710 5.749 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.520 5.474 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.178 7.318 4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.774 7.751 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.285 6.494 6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.657 6.208 6.229 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.128 8.514 6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.519 7.831 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.742 9.383 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.453 10.492 7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.027 10.872 8.258 1.00 0.00 H new ATOM 480 N ARG A 32 -6.115 3.342 6.035 1.00 0.00 N ATOM 481 CA ARG A 32 -6.520 2.774 7.319 1.00 0.00 C ATOM 482 C ARG A 32 -5.941 1.384 7.556 1.00 0.00 C ATOM 483 O ARG A 32 -5.994 0.882 8.674 1.00 0.00 O ATOM 484 CB ARG A 32 -8.049 2.763 7.377 1.00 0.00 C ATOM 485 CG ARG A 32 -8.643 1.945 6.228 1.00 0.00 C ATOM 486 CD ARG A 32 -9.909 2.645 5.743 1.00 0.00 C ATOM 487 NE ARG A 32 -10.496 1.997 4.567 1.00 0.00 N ATOM 488 CZ ARG A 32 -11.152 0.832 4.578 1.00 0.00 C ATOM 489 NH1 ARG A 32 -11.335 0.159 5.711 1.00 0.00 N ATOM 490 NH2 ARG A 32 -11.631 0.339 3.438 1.00 0.00 N ATOM 0 H ARG A 32 -6.827 3.285 5.307 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.120 3.394 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.376 2.347 8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.424 3.785 7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.923 1.856 5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.873 0.933 6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.643 2.660 6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.677 3.683 5.504 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.396 2.472 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.973 0.530 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.838 -0.728 5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.496 0.849 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.133 -0.549 3.437 1.00 0.00 H new ATOM 504 N VAL A 33 -5.385 0.758 6.517 1.00 0.00 N ATOM 505 CA VAL A 33 -4.680 -0.516 6.645 1.00 0.00 C ATOM 506 C VAL A 33 -3.239 -0.329 7.099 1.00 0.00 C ATOM 507 O VAL A 33 -2.616 -1.285 7.554 1.00 0.00 O ATOM 508 CB VAL A 33 -4.724 -1.226 5.292 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.673 -2.320 5.159 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.099 -1.879 5.140 1.00 0.00 C ATOM 0 H VAL A 33 -5.411 1.121 5.564 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.173 -1.116 7.409 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.526 -0.478 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.755 -2.786 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.680 -1.886 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.831 -3.072 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.154 -2.393 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.252 -2.598 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.873 -1.113 5.186 1.00 0.00 H new ATOM 520 N PHE A 34 -2.697 0.882 6.985 1.00 0.00 N ATOM 521 CA PHE A 34 -1.299 1.121 7.309 1.00 0.00 C ATOM 522 C PHE A 34 -1.149 2.161 8.402 1.00 0.00 C ATOM 523 O PHE A 34 -0.280 2.032 9.261 1.00 0.00 O ATOM 524 CB PHE A 34 -0.570 1.561 6.041 1.00 0.00 C ATOM 525 CG PHE A 34 -0.063 0.414 5.211 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.117 -0.236 5.595 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.759 -0.003 4.070 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.604 -1.307 4.838 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.268 -1.068 3.307 1.00 0.00 C ATOM 530 CZ PHE A 34 0.906 -1.728 3.694 1.00 0.00 C ATOM 0 H PHE A 34 -3.206 1.708 6.671 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.860 0.198 7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.244 2.167 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.270 2.198 6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.651 0.090 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.672 0.496 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.514 -1.809 5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.795 -1.382 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.274 -2.560 3.113 1.00 0.00 H new ATOM 540 N GLU A 35 -1.980 3.200 8.396 1.00 0.00 N ATOM 541 CA GLU A 35 -1.874 4.210 9.432 1.00 0.00 C ATOM 542 C GLU A 35 -2.270 3.631 10.782 1.00 0.00 C ATOM 543 O GLU A 35 -1.952 4.199 11.826 1.00 0.00 O ATOM 544 CB GLU A 35 -2.714 5.447 9.090 1.00 0.00 C ATOM 545 CG GLU A 35 -4.192 5.321 9.459 1.00 0.00 C ATOM 546 CD GLU A 35 -4.468 5.643 10.929 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.935 6.673 11.404 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.206 4.862 11.565 1.00 0.00 O ATOM 0 H GLU A 35 -2.713 3.359 7.704 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.833 4.529 9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.295 6.311 9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.633 5.643 8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.777 5.991 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.530 4.307 9.245 1.00 0.00 H new ATOM 555 N LYS A 36 -2.967 2.487 10.755 1.00 0.00 N ATOM 556 CA LYS A 36 -3.470 1.836 11.951 1.00 0.00 C ATOM 557 C LYS A 36 -2.339 1.459 12.894 1.00 0.00 C ATOM 558 O LYS A 36 -2.516 1.470 14.110 1.00 0.00 O ATOM 559 CB LYS A 36 -4.256 0.586 11.551 1.00 0.00 C ATOM 560 CG LYS A 36 -3.362 -0.473 10.895 1.00 0.00 C ATOM 561 CD LYS A 36 -4.171 -1.602 10.242 1.00 0.00 C ATOM 562 CE LYS A 36 -5.258 -2.124 11.169 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.869 -3.358 10.640 1.00 0.00 N ATOM 0 H LYS A 36 -3.194 1.992 9.893 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.122 2.533 12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.733 0.160 12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.053 0.865 10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.734 0.002 10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.694 -0.896 11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.623 -1.239 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.502 -2.418 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.835 -2.319 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.026 -1.362 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.606 -3.689 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.293 -3.164 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.139 -4.092 10.541 1.00 0.00 H new ATOM 577 N TYR A 37 -1.174 1.122 12.336 1.00 0.00 N ATOM 578 CA TYR A 37 -0.029 0.761 13.147 1.00 0.00 C ATOM 579 C TYR A 37 0.616 1.992 13.778 1.00 0.00 C ATOM 580 O TYR A 37 1.328 1.873 14.774 1.00 0.00 O ATOM 581 CB TYR A 37 0.994 0.033 12.282 1.00 0.00 C ATOM 582 CG TYR A 37 0.457 -1.262 11.723 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.559 -2.442 12.476 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.145 -1.285 10.460 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.049 -3.643 11.969 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.656 -2.482 9.943 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.568 -3.669 10.703 1.00 0.00 C ATOM 588 OH TYR A 37 -1.080 -4.836 10.214 1.00 0.00 O ATOM 0 H TYR A 37 -1.008 1.094 11.330 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.371 0.109 13.951 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.299 0.682 11.461 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.886 -0.172 12.874 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.031 -2.423 13.447 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.216 -0.376 9.881 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.129 -4.551 12.549 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.116 -2.497 8.966 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.389 -5.308 9.703 1.00 0.00 H new ATOM 598 N GLY A 38 0.374 3.173 13.202 1.00 0.00 N ATOM 599 CA GLY A 38 0.872 4.421 13.762 1.00 0.00 C ATOM 600 C GLY A 38 0.344 5.624 12.997 1.00 0.00 C ATOM 601 O GLY A 38 -0.433 6.404 13.551 1.00 0.00 O ATOM 0 H GLY A 38 -0.167 3.285 12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.576 4.495 14.808 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.962 4.423 13.738 1.00 0.00 H new ATOM 605 N ARG A 39 0.759 5.774 11.734 1.00 0.00 N ATOM 606 CA ARG A 39 0.278 6.843 10.869 1.00 0.00 C ATOM 607 C ARG A 39 0.728 6.611 9.436 1.00 0.00 C ATOM 608 O ARG A 39 1.567 5.752 9.175 1.00 0.00 O ATOM 609 CB ARG A 39 0.830 8.187 11.364 1.00 0.00 C ATOM 610 CG ARG A 39 -0.087 9.368 11.040 1.00 0.00 C ATOM 611 CD ARG A 39 -1.440 9.198 11.721 1.00 0.00 C ATOM 612 NE ARG A 39 -2.232 10.429 11.633 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.566 10.479 11.647 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.298 9.375 11.727 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.184 11.656 11.576 1.00 0.00 N ATOM 0 H ARG A 39 1.437 5.156 11.289 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.812 6.855 10.898 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.980 8.136 12.442 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.808 8.360 10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.378 10.297 11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.224 9.444 9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.985 8.377 11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.293 8.930 12.767 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.727 11.312 11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.843 8.464 11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.316 9.438 11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.638 12.515 11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.203 11.698 11.586 1.00 0.00 H new ATOM 629 N VAL A 40 0.162 7.389 8.513 1.00 0.00 N ATOM 630 CA VAL A 40 0.538 7.374 7.111 1.00 0.00 C ATOM 631 C VAL A 40 0.765 8.807 6.659 1.00 0.00 C ATOM 632 O VAL A 40 -0.179 9.540 6.368 1.00 0.00 O ATOM 633 CB VAL A 40 -0.558 6.699 6.286 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.337 6.879 4.792 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.562 5.195 6.510 1.00 0.00 C ATOM 0 H VAL A 40 -0.580 8.055 8.728 1.00 0.00 H new ATOM 0 HA VAL A 40 1.457 6.805 6.968 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.490 7.164 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.138 6.384 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.334 7.942 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.620 6.440 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.351 4.740 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.402 4.781 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.740 4.985 7.565 1.00 0.00 H new ATOM 645 N GLY A 41 2.042 9.196 6.611 1.00 0.00 N ATOM 646 CA GLY A 41 2.452 10.517 6.164 1.00 0.00 C ATOM 647 C GLY A 41 2.024 10.798 4.725 1.00 0.00 C ATOM 648 O GLY A 41 1.815 11.955 4.359 1.00 0.00 O ATOM 0 H GLY A 41 2.820 8.595 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.022 11.271 6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.536 10.605 6.243 1.00 0.00 H new ATOM 652 N ASP A 42 1.893 9.748 3.907 1.00 0.00 N ATOM 653 CA ASP A 42 1.504 9.864 2.513 1.00 0.00 C ATOM 654 C ASP A 42 0.892 8.547 2.048 1.00 0.00 C ATOM 655 O ASP A 42 1.352 7.475 2.427 1.00 0.00 O ATOM 656 CB ASP A 42 2.755 10.138 1.671 1.00 0.00 C ATOM 657 CG ASP A 42 3.172 11.601 1.701 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.346 12.444 1.289 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.313 11.865 2.136 1.00 0.00 O ATOM 0 H ASP A 42 2.058 8.787 4.206 1.00 0.00 H new ATOM 0 HA ASP A 42 0.782 10.673 2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.577 9.522 2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.567 9.839 0.640 1.00 0.00 H new ATOM 664 N VAL A 43 -0.149 8.621 1.215 1.00 0.00 N ATOM 665 CA VAL A 43 -0.760 7.433 0.634 1.00 0.00 C ATOM 666 C VAL A 43 -1.293 7.815 -0.736 1.00 0.00 C ATOM 667 O VAL A 43 -2.196 8.645 -0.854 1.00 0.00 O ATOM 668 CB VAL A 43 -1.826 6.865 1.594 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.264 7.252 1.261 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.729 5.349 1.688 1.00 0.00 C ATOM 0 H VAL A 43 -0.585 9.498 0.929 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.041 6.626 0.496 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.595 7.326 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.939 6.806 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.365 8.337 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.517 6.890 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.492 4.977 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.882 4.913 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.743 5.070 2.059 1.00 0.00 H new ATOM 680 N TYR A 44 -0.736 7.214 -1.785 1.00 0.00 N ATOM 681 CA TYR A 44 -1.228 7.465 -3.130 1.00 0.00 C ATOM 682 C TYR A 44 -0.882 6.318 -4.069 1.00 0.00 C ATOM 683 O TYR A 44 -0.104 5.432 -3.715 1.00 0.00 O ATOM 684 CB TYR A 44 -0.665 8.786 -3.663 1.00 0.00 C ATOM 685 CG TYR A 44 0.707 8.675 -4.283 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.865 8.774 -3.495 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.817 8.474 -5.665 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.132 8.700 -4.096 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.078 8.383 -6.268 1.00 0.00 C ATOM 690 CZ TYR A 44 3.244 8.508 -5.485 1.00 0.00 C ATOM 691 OH TYR A 44 4.475 8.441 -6.066 1.00 0.00 O ATOM 0 H TYR A 44 0.045 6.560 -1.728 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.314 7.539 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.354 9.187 -4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.624 9.505 -2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.781 8.907 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.075 8.389 -6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.022 8.791 -3.491 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.157 8.217 -7.332 1.00 0.00 H new ATOM 0 HH TYR A 44 4.921 7.612 -5.793 1.00 0.00 H new ATOM 701 N ILE A 45 -1.462 6.341 -5.271 1.00 0.00 N ATOM 702 CA ILE A 45 -1.249 5.309 -6.273 1.00 0.00 C ATOM 703 C ILE A 45 -0.729 5.980 -7.552 1.00 0.00 C ATOM 704 O ILE A 45 -1.464 6.730 -8.196 1.00 0.00 O ATOM 705 CB ILE A 45 -2.552 4.538 -6.525 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.878 3.503 -5.444 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.415 3.744 -7.824 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.120 4.102 -4.064 1.00 0.00 C ATOM 0 H ILE A 45 -2.095 7.082 -5.572 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.511 4.585 -5.927 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.340 5.291 -6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.764 2.944 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.057 2.789 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.336 3.192 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.227 4.429 -8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.584 3.044 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.344 3.305 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.228 4.637 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.961 4.794 -4.110 1.00 0.00 H new ATOM 720 N PRO A 46 0.531 5.711 -7.935 1.00 0.00 N ATOM 721 CA PRO A 46 1.169 6.170 -9.163 1.00 0.00 C ATOM 722 C PRO A 46 0.638 5.427 -10.393 1.00 0.00 C ATOM 723 O PRO A 46 1.413 4.857 -11.159 1.00 0.00 O ATOM 724 CB PRO A 46 2.664 5.922 -8.955 1.00 0.00 C ATOM 725 CG PRO A 46 2.677 4.709 -8.041 1.00 0.00 C ATOM 726 CD PRO A 46 1.463 4.918 -7.153 1.00 0.00 C ATOM 0 HA PRO A 46 0.958 7.222 -9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.177 5.725 -9.897 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.157 6.780 -8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.605 3.780 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.596 4.656 -7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.020 3.964 -6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.737 5.432 -6.232 1.00 0.00 H new ATOM 900 N GLY A 56 -0.385 -1.343 -11.106 1.00 0.00 N ATOM 901 CA GLY A 56 -0.449 -2.506 -10.236 1.00 0.00 C ATOM 902 C GLY A 56 0.274 -2.294 -8.912 1.00 0.00 C ATOM 903 O GLY A 56 0.563 -3.267 -8.220 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.493 -2.750 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.013 -3.363 -10.750 1.00 0.00 H new ATOM 907 N PHE A 57 0.577 -1.047 -8.543 1.00 0.00 N ATOM 908 CA PHE A 57 1.284 -0.754 -7.307 1.00 0.00 C ATOM 909 C PHE A 57 0.883 0.602 -6.758 1.00 0.00 C ATOM 910 O PHE A 57 0.443 1.484 -7.495 1.00 0.00 O ATOM 911 CB PHE A 57 2.792 -0.810 -7.546 1.00 0.00 C ATOM 912 CG PHE A 57 3.416 0.408 -8.193 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.183 0.728 -9.539 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.257 1.224 -7.420 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.801 1.853 -10.109 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.873 2.345 -7.989 1.00 0.00 C ATOM 917 CZ PHE A 57 4.645 2.663 -9.332 1.00 0.00 C ATOM 0 H PHE A 57 0.338 -0.221 -9.093 1.00 0.00 H new ATOM 0 HA PHE A 57 1.013 -1.507 -6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.284 -0.978 -6.588 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.007 -1.677 -8.171 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.529 0.110 -10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.430 0.986 -6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.627 2.096 -11.147 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.525 2.965 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.117 3.530 -9.770 1.00 0.00 H new ATOM 927 N ALA A 58 1.041 0.750 -5.444 1.00 0.00 N ATOM 928 CA ALA A 58 0.726 1.968 -4.730 1.00 0.00 C ATOM 929 C ALA A 58 2.023 2.619 -4.277 1.00 0.00 C ATOM 930 O ALA A 58 3.105 2.307 -4.777 1.00 0.00 O ATOM 931 CB ALA A 58 -0.166 1.641 -3.534 1.00 0.00 C ATOM 0 H ALA A 58 1.399 0.008 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 58 0.189 2.661 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.404 2.559 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.088 1.176 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.356 0.954 -2.868 1.00 0.00 H new ATOM 937 N PHE A 59 1.900 3.532 -3.317 1.00 0.00 N ATOM 938 CA PHE A 59 3.020 4.233 -2.744 1.00 0.00 C ATOM 939 C PHE A 59 2.562 4.796 -1.421 1.00 0.00 C ATOM 940 O PHE A 59 2.420 6.008 -1.261 1.00 0.00 O ATOM 941 CB PHE A 59 3.479 5.312 -3.723 1.00 0.00 C ATOM 942 CG PHE A 59 4.964 5.588 -3.744 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.706 5.738 -2.566 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.604 5.689 -4.988 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.081 6.010 -2.635 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.977 5.955 -5.059 1.00 0.00 C ATOM 947 CZ PHE A 59 7.719 6.116 -3.880 1.00 0.00 C ATOM 0 H PHE A 59 1.001 3.802 -2.917 1.00 0.00 H new ATOM 0 HA PHE A 59 3.877 3.583 -2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.168 5.022 -4.727 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.959 6.239 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.221 5.644 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.034 5.561 -5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.650 6.138 -1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.463 6.036 -6.020 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.778 6.321 -3.930 1.00 0.00 H new ATOM 957 N VAL A 60 2.324 3.903 -0.455 1.00 0.00 N ATOM 958 CA VAL A 60 2.137 4.476 0.867 1.00 0.00 C ATOM 959 C VAL A 60 3.525 4.856 1.334 1.00 0.00 C ATOM 960 O VAL A 60 4.460 4.082 1.139 1.00 0.00 O ATOM 961 CB VAL A 60 1.434 3.581 1.895 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.347 2.691 1.298 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.370 2.854 2.855 1.00 0.00 C ATOM 0 H VAL A 60 2.262 2.889 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 60 1.453 5.321 0.787 1.00 0.00 H new ATOM 0 HB VAL A 60 0.901 4.285 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.103 2.088 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.419 3.313 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.786 2.035 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.784 2.246 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.045 2.212 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.951 3.584 3.419 1.00 0.00 H new ATOM 973 N ARG A 61 3.667 6.032 1.945 1.00 0.00 N ATOM 974 CA ARG A 61 4.940 6.490 2.450 1.00 0.00 C ATOM 975 C ARG A 61 4.797 6.980 3.866 1.00 0.00 C ATOM 976 O ARG A 61 3.882 7.721 4.217 1.00 0.00 O ATOM 977 CB ARG A 61 5.552 7.503 1.492 1.00 0.00 C ATOM 978 CG ARG A 61 6.479 8.489 2.205 1.00 0.00 C ATOM 979 CD ARG A 61 7.131 9.405 1.175 1.00 0.00 C ATOM 980 NE ARG A 61 6.159 10.358 0.615 1.00 0.00 N ATOM 981 CZ ARG A 61 5.895 10.506 -0.685 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.491 9.749 -1.606 1.00 0.00 N ATOM 983 NH2 ARG A 61 5.015 11.422 -1.074 1.00 0.00 N ATOM 0 H ARG A 61 2.899 6.685 2.098 1.00 0.00 H new ATOM 0 HA ARG A 61 5.647 5.661 2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.111 6.977 0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.756 8.053 0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.915 9.079 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.243 7.948 2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.953 9.951 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.560 8.806 0.372 1.00 0.00 H new ATOM 0 HE ARG A 61 5.648 10.950 1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.165 9.038 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.273 9.881 -2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.547 12.006 -0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.808 11.541 -2.066 1.00 0.00 H new ATOM 997 N PHE A 62 5.753 6.531 4.671 1.00 0.00 N ATOM 998 CA PHE A 62 5.726 6.821 6.097 1.00 0.00 C ATOM 999 C PHE A 62 6.791 7.836 6.436 1.00 0.00 C ATOM 1000 O PHE A 62 7.932 7.703 6.005 1.00 0.00 O ATOM 1001 CB PHE A 62 5.933 5.547 6.900 1.00 0.00 C ATOM 1002 CG PHE A 62 4.676 4.734 7.086 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.748 4.573 6.042 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.428 4.151 8.335 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.569 3.851 6.247 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.262 3.406 8.541 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.337 3.264 7.501 1.00 0.00 C ATOM 0 H PHE A 62 6.548 5.971 4.364 1.00 0.00 H new ATOM 0 HA PHE A 62 4.751 7.235 6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.682 4.932 6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.335 5.807 7.879 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.948 5.010 5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.137 4.277 9.140 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.846 3.746 5.451 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.077 2.942 9.499 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.433 2.696 7.665 1.00 0.00 H new ATOM 1017 N HIS A 63 6.376 8.834 7.218 1.00 0.00 N ATOM 1018 CA HIS A 63 7.189 9.935 7.707 1.00 0.00 C ATOM 1019 C HIS A 63 8.070 9.499 8.879 1.00 0.00 C ATOM 1020 O HIS A 63 8.908 10.275 9.336 1.00 0.00 O ATOM 1021 CB HIS A 63 6.239 11.049 8.162 1.00 0.00 C ATOM 1022 CG HIS A 63 5.203 10.569 9.150 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.403 9.547 10.082 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.929 11.038 9.283 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.248 9.425 10.744 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.345 10.315 10.296 1.00 0.00 N ATOM 0 H HIS A 63 5.410 8.894 7.541 1.00 0.00 H new ATOM 0 HA HIS A 63 7.849 10.281 6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.820 11.853 8.614 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.736 11.469 7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.468 11.825 8.704 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.065 8.709 11.532 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.394 10.433 10.646 1.00 0.00 H new ATOM 1034 N ASP A 64 7.889 8.271 9.370 1.00 0.00 N ATOM 1035 CA ASP A 64 8.614 7.760 10.521 1.00 0.00 C ATOM 1036 C ASP A 64 8.841 6.260 10.351 1.00 0.00 C ATOM 1037 O ASP A 64 7.893 5.474 10.330 1.00 0.00 O ATOM 1038 CB ASP A 64 7.816 8.057 11.794 1.00 0.00 C ATOM 1039 CG ASP A 64 8.614 7.749 13.059 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.525 6.897 12.988 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.304 8.377 14.096 1.00 0.00 O ATOM 0 H ASP A 64 7.229 7.603 8.972 1.00 0.00 H new ATOM 0 HA ASP A 64 9.586 8.247 10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.520 9.106 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.899 7.468 11.792 1.00 0.00 H new ATOM 1046 N LYS A 65 10.114 5.878 10.230 1.00 0.00 N ATOM 1047 CA LYS A 65 10.524 4.494 10.035 1.00 0.00 C ATOM 1048 C LYS A 65 10.041 3.567 11.147 1.00 0.00 C ATOM 1049 O LYS A 65 9.933 2.366 10.922 1.00 0.00 O ATOM 1050 CB LYS A 65 12.047 4.450 9.913 1.00 0.00 C ATOM 1051 CG LYS A 65 12.729 4.744 11.253 1.00 0.00 C ATOM 1052 CD LYS A 65 14.153 5.264 11.049 1.00 0.00 C ATOM 1053 CE LYS A 65 15.004 4.292 10.229 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.334 4.869 9.959 1.00 0.00 N ATOM 0 H LYS A 65 10.896 6.532 10.266 1.00 0.00 H new ATOM 0 HA LYS A 65 10.058 4.127 9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.356 3.468 9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.374 5.178 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.146 5.481 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.754 3.837 11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.118 6.230 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.622 5.428 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.112 3.351 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.502 4.065 9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.898 4.196 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.226 5.755 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.817 5.063 10.859 1.00 0.00 H new ATOM 1068 N ARG A 66 9.747 4.092 12.340 1.00 0.00 N ATOM 1069 CA ARG A 66 9.309 3.254 13.454 1.00 0.00 C ATOM 1070 C ARG A 66 7.885 2.760 13.226 1.00 0.00 C ATOM 1071 O ARG A 66 7.605 1.570 13.386 1.00 0.00 O ATOM 1072 CB ARG A 66 9.392 4.057 14.758 1.00 0.00 C ATOM 1073 CG ARG A 66 10.810 4.558 15.046 1.00 0.00 C ATOM 1074 CD ARG A 66 11.820 3.409 15.055 1.00 0.00 C ATOM 1075 NE ARG A 66 13.152 3.878 15.438 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.281 3.205 15.203 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.259 2.030 14.583 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.451 3.707 15.591 1.00 0.00 N ATOM 0 H ARG A 66 9.805 5.087 12.556 1.00 0.00 H new ATOM 0 HA ARG A 66 9.962 2.384 13.523 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.713 4.908 14.701 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.054 3.435 15.587 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.098 5.291 14.292 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.828 5.067 16.009 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.490 2.637 15.750 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.863 2.951 14.067 1.00 0.00 H new ATOM 0 HE ARG A 66 13.223 4.777 15.915 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.371 1.630 14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.130 1.528 14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.486 4.607 16.069 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.312 3.191 15.411 1.00 0.00 H new ATOM 1092 N ASP A 67 6.984 3.669 12.841 1.00 0.00 N ATOM 1093 CA ASP A 67 5.614 3.288 12.531 1.00 0.00 C ATOM 1094 C ASP A 67 5.608 2.404 11.285 1.00 0.00 C ATOM 1095 O ASP A 67 4.706 1.586 11.101 1.00 0.00 O ATOM 1096 CB ASP A 67 4.757 4.536 12.298 1.00 0.00 C ATOM 1097 CG ASP A 67 4.662 5.407 13.548 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.473 4.836 14.647 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.776 6.644 13.397 1.00 0.00 O ATOM 0 H ASP A 67 7.182 4.664 12.739 1.00 0.00 H new ATOM 0 HA ASP A 67 5.194 2.734 13.370 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.181 5.120 11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.756 4.236 11.989 1.00 0.00 H new ATOM 1104 N ALA A 68 6.622 2.581 10.432 1.00 0.00 N ATOM 1105 CA ALA A 68 6.763 1.808 9.215 1.00 0.00 C ATOM 1106 C ALA A 68 7.324 0.421 9.505 1.00 0.00 C ATOM 1107 O ALA A 68 6.976 -0.527 8.804 1.00 0.00 O ATOM 1108 CB ALA A 68 7.706 2.562 8.284 1.00 0.00 C ATOM 0 H ALA A 68 7.363 3.267 10.575 1.00 0.00 H new ATOM 0 HA ALA A 68 5.784 1.678 8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.830 2.000 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.288 3.543 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.675 2.682 8.768 1.00 0.00 H new ATOM 1114 N GLU A 69 8.181 0.286 10.521 1.00 0.00 N ATOM 1115 CA GLU A 69 8.755 -0.996 10.892 1.00 0.00 C ATOM 1116 C GLU A 69 7.658 -1.981 11.269 1.00 0.00 C ATOM 1117 O GLU A 69 7.637 -3.101 10.761 1.00 0.00 O ATOM 1118 CB GLU A 69 9.679 -0.832 12.100 1.00 0.00 C ATOM 1119 CG GLU A 69 11.113 -0.538 11.661 1.00 0.00 C ATOM 1120 CD GLU A 69 12.050 -0.478 12.864 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.165 0.614 13.462 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.648 -1.532 13.184 1.00 0.00 O ATOM 0 H GLU A 69 8.491 1.064 11.103 1.00 0.00 H new ATOM 0 HA GLU A 69 9.316 -1.371 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.316 -0.022 12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.659 -1.740 12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.451 -1.310 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.146 0.409 11.122 1.00 0.00 H new ATOM 1129 N ASP A 70 6.749 -1.568 12.153 1.00 0.00 N ATOM 1130 CA ASP A 70 5.730 -2.496 12.618 1.00 0.00 C ATOM 1131 C ASP A 70 4.706 -2.778 11.520 1.00 0.00 C ATOM 1132 O ASP A 70 4.308 -3.926 11.320 1.00 0.00 O ATOM 1133 CB ASP A 70 5.042 -1.929 13.856 1.00 0.00 C ATOM 1134 CG ASP A 70 6.036 -1.612 14.971 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.886 -2.487 15.258 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.944 -0.494 15.529 1.00 0.00 O ATOM 0 H ASP A 70 6.700 -0.629 12.548 1.00 0.00 H new ATOM 0 HA ASP A 70 6.211 -3.439 12.877 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.500 -1.023 13.586 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.305 -2.645 14.220 1.00 0.00 H new ATOM 1141 N ALA A 71 4.277 -1.738 10.799 1.00 0.00 N ATOM 1142 CA ALA A 71 3.307 -1.898 9.734 1.00 0.00 C ATOM 1143 C ALA A 71 3.857 -2.840 8.669 1.00 0.00 C ATOM 1144 O ALA A 71 3.159 -3.753 8.237 1.00 0.00 O ATOM 1145 CB ALA A 71 2.978 -0.532 9.135 1.00 0.00 C ATOM 0 H ALA A 71 4.592 -0.778 10.941 1.00 0.00 H new ATOM 0 HA ALA A 71 2.391 -2.333 10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.249 -0.652 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.564 0.114 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.886 -0.082 8.734 1.00 0.00 H new ATOM 1151 N MET A 72 5.106 -2.637 8.245 1.00 0.00 N ATOM 1152 CA MET A 72 5.748 -3.472 7.243 1.00 0.00 C ATOM 1153 C MET A 72 5.906 -4.900 7.747 1.00 0.00 C ATOM 1154 O MET A 72 5.666 -5.847 7.002 1.00 0.00 O ATOM 1155 CB MET A 72 7.112 -2.855 6.935 1.00 0.00 C ATOM 1156 CG MET A 72 7.999 -3.776 6.100 1.00 0.00 C ATOM 1157 SD MET A 72 9.393 -2.931 5.311 1.00 0.00 S ATOM 1158 CE MET A 72 9.943 -1.882 6.683 1.00 0.00 C ATOM 0 H MET A 72 5.699 -1.883 8.593 1.00 0.00 H new ATOM 0 HA MET A 72 5.137 -3.516 6.341 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.969 -1.914 6.403 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.619 -2.619 7.870 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.383 -4.572 6.738 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.391 -4.250 5.330 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.953 -1.524 6.485 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.270 -1.031 6.783 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.937 -2.459 7.607 1.00 0.00 H new ATOM 1168 N ASP A 73 6.305 -5.059 9.011 1.00 0.00 N ATOM 1169 CA ASP A 73 6.453 -6.371 9.623 1.00 0.00 C ATOM 1170 C ASP A 73 5.088 -7.040 9.841 1.00 0.00 C ATOM 1171 O ASP A 73 5.021 -8.189 10.269 1.00 0.00 O ATOM 1172 CB ASP A 73 7.217 -6.229 10.943 1.00 0.00 C ATOM 1173 CG ASP A 73 7.516 -7.587 11.579 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.167 -8.412 10.897 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.090 -7.784 12.740 1.00 0.00 O ATOM 0 H ASP A 73 6.532 -4.283 9.632 1.00 0.00 H new ATOM 0 HA ASP A 73 7.020 -7.015 8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.152 -5.698 10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.633 -5.624 11.637 1.00 0.00 H new ATOM 1180 N ALA A 74 4.001 -6.319 9.545 1.00 0.00 N ATOM 1181 CA ALA A 74 2.647 -6.819 9.703 1.00 0.00 C ATOM 1182 C ALA A 74 1.806 -6.636 8.431 1.00 0.00 C ATOM 1183 O ALA A 74 0.602 -6.888 8.457 1.00 0.00 O ATOM 1184 CB ALA A 74 2.017 -6.096 10.893 1.00 0.00 C ATOM 0 H ALA A 74 4.046 -5.365 9.187 1.00 0.00 H new ATOM 0 HA ALA A 74 2.678 -7.893 9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.997 -6.452 11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.601 -6.297 11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.003 -5.023 10.701 1.00 0.00 H new ATOM 1190 N MET A 75 2.417 -6.204 7.323 1.00 0.00 N ATOM 1191 CA MET A 75 1.698 -5.980 6.074 1.00 0.00 C ATOM 1192 C MET A 75 2.438 -6.524 4.851 1.00 0.00 C ATOM 1193 O MET A 75 1.819 -6.681 3.800 1.00 0.00 O ATOM 1194 CB MET A 75 1.437 -4.488 5.877 1.00 0.00 C ATOM 1195 CG MET A 75 0.296 -3.999 6.762 1.00 0.00 C ATOM 1196 SD MET A 75 -1.298 -4.792 6.430 1.00 0.00 S ATOM 1197 CE MET A 75 -1.321 -4.635 4.622 1.00 0.00 C ATOM 0 H MET A 75 3.416 -6.002 7.271 1.00 0.00 H new ATOM 0 HA MET A 75 0.758 -6.525 6.158 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.343 -3.926 6.105 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.197 -4.294 4.832 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.563 -4.169 7.805 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.187 -2.922 6.632 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.321 -4.856 4.250 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.046 -3.618 4.342 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.609 -5.336 4.187 1.00 0.00 H new ATOM 1207 N ASP A 76 3.735 -6.815 4.949 1.00 0.00 N ATOM 1208 CA ASP A 76 4.448 -7.400 3.824 1.00 0.00 C ATOM 1209 C ASP A 76 3.924 -8.810 3.556 1.00 0.00 C ATOM 1210 O ASP A 76 4.007 -9.683 4.419 1.00 0.00 O ATOM 1211 CB ASP A 76 5.952 -7.411 4.103 1.00 0.00 C ATOM 1212 CG ASP A 76 6.718 -7.885 2.872 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.399 -7.396 1.767 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.619 -8.735 3.048 1.00 0.00 O ATOM 0 H ASP A 76 4.302 -6.657 5.782 1.00 0.00 H new ATOM 0 HA ASP A 76 4.276 -6.797 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.284 -6.411 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.167 -8.066 4.947 1.00 0.00 H new ATOM 1219 N GLY A 77 3.383 -9.031 2.355 1.00 0.00 N ATOM 1220 CA GLY A 77 2.828 -10.312 1.953 1.00 0.00 C ATOM 1221 C GLY A 77 1.560 -10.645 2.739 1.00 0.00 C ATOM 1222 O GLY A 77 1.238 -11.816 2.929 1.00 0.00 O ATOM 0 H GLY A 77 3.321 -8.314 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.602 -10.293 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.570 -11.096 2.108 1.00 0.00 H new ATOM 1226 N ALA A 78 0.844 -9.613 3.200 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.339 -9.773 4.031 1.00 0.00 C ATOM 1228 C ALA A 78 -1.601 -9.995 3.192 1.00 0.00 C ATOM 1229 O ALA A 78 -2.697 -10.057 3.747 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.485 -8.545 4.919 1.00 0.00 C ATOM 0 H ALA A 78 1.077 -8.640 3.002 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.216 -10.663 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.369 -8.653 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.398 -8.445 5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.589 -7.656 4.297 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.442 -10.115 1.870 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.511 -10.368 0.909 1.00 0.00 C ATOM 1238 C VAL A 79 -3.840 -9.715 1.310 1.00 0.00 C ATOM 1239 O VAL A 79 -4.794 -10.367 1.724 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.600 -11.872 0.596 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.661 -12.739 1.849 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.725 -12.173 -0.376 1.00 0.00 C ATOM 0 H VAL A 79 -0.527 -10.035 1.426 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.260 -9.873 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.668 -12.143 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.723 -13.789 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.764 -12.578 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.540 -12.471 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.758 -13.244 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.674 -11.854 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.553 -11.637 -1.309 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.880 -8.387 1.170 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.044 -7.560 1.445 1.00 0.00 C ATOM 1254 C LEU A 80 -6.230 -7.902 0.532 1.00 0.00 C ATOM 1255 O LEU A 80 -7.360 -7.528 0.844 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.564 -6.110 1.304 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.649 -5.042 1.149 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.046 -3.703 1.557 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.069 -4.913 -0.314 1.00 0.00 C ATOM 0 H LEU A 80 -3.075 -7.847 0.852 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.434 -7.736 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.965 -5.863 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.903 -6.052 0.439 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.509 -5.317 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.798 -2.920 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.712 -3.755 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.197 -3.475 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.841 -4.149 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.206 -4.630 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.460 -5.868 -0.666 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.003 -8.606 -0.586 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.077 -8.948 -1.509 1.00 0.00 C ATOM 1273 C ASP A 81 -6.948 -10.378 -2.040 1.00 0.00 C ATOM 1274 O ASP A 81 -7.934 -11.114 -2.054 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.079 -7.952 -2.673 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.150 -8.321 -3.694 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.331 -7.993 -3.435 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.776 -8.928 -4.723 1.00 0.00 O ATOM 0 H ASP A 81 -5.083 -8.946 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.020 -8.891 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.259 -6.945 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.100 -7.943 -3.152 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.750 -10.781 -2.469 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.517 -12.148 -2.930 1.00 0.00 C ATOM 1285 C GLY A 82 -4.368 -12.240 -3.927 1.00 0.00 C ATOM 1286 O GLY A 82 -4.371 -13.106 -4.802 1.00 0.00 O ATOM 0 H GLY A 82 -4.927 -10.179 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.302 -12.785 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.426 -12.532 -3.392 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.387 -11.343 -3.799 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.237 -11.282 -4.691 1.00 0.00 C ATOM 1292 C ARG A 83 -0.926 -11.082 -3.931 1.00 0.00 C ATOM 1293 O ARG A 83 0.141 -11.360 -4.475 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.455 -10.147 -5.691 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.903 -8.875 -4.966 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.740 -7.688 -5.901 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.387 -7.951 -7.193 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.753 -8.087 -8.360 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.433 -7.964 -8.444 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.449 -8.351 -9.460 1.00 0.00 N ATOM 0 H ARG A 83 -3.373 -10.634 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.152 -12.235 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.533 -9.955 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.207 -10.439 -6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.943 -8.967 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.310 -8.727 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.175 -6.798 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.681 -7.483 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.403 -8.037 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.885 -7.762 -7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.967 -8.071 -9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.463 -8.449 -9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.969 -8.456 -10.354 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.020 -10.607 -2.684 1.00 0.00 N ATOM 1315 CA GLU A 84 0.037 -10.584 -1.675 1.00 0.00 C ATOM 1316 C GLU A 84 0.721 -9.221 -1.644 1.00 0.00 C ATOM 1317 O GLU A 84 1.695 -8.983 -2.352 1.00 0.00 O ATOM 1318 CB GLU A 84 1.013 -11.759 -1.822 1.00 0.00 C ATOM 1319 CG GLU A 84 1.122 -12.500 -0.488 1.00 0.00 C ATOM 1320 CD GLU A 84 2.290 -13.479 -0.491 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.412 -13.041 -0.830 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.057 -14.661 -0.150 1.00 0.00 O ATOM 0 H GLU A 84 -1.890 -10.205 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.424 -10.727 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.666 -12.439 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.993 -11.395 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.250 -11.780 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.195 -13.038 -0.292 1.00 0.00 H new ATOM 1329 N LEU A 85 0.184 -8.330 -0.804 1.00 0.00 N ATOM 1330 CA LEU A 85 0.669 -6.972 -0.584 1.00 0.00 C ATOM 1331 C LEU A 85 2.191 -6.957 -0.426 1.00 0.00 C ATOM 1332 O LEU A 85 2.782 -7.956 -0.036 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.054 -6.464 0.676 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.394 -4.971 0.739 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.835 -4.074 0.797 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.249 -4.547 -0.449 1.00 0.00 C ATOM 0 H LEU A 85 -0.635 -8.549 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 85 0.457 -6.322 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.982 -7.026 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.565 -6.706 1.540 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.950 -4.844 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.522 -3.031 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.419 -4.315 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.444 -4.234 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.473 -3.483 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.707 -4.740 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.180 -5.114 -0.448 1.00 0.00 H new ATOM 1348 N ARG A 86 2.834 -5.827 -0.723 1.00 0.00 N ATOM 1349 CA ARG A 86 4.280 -5.691 -0.619 1.00 0.00 C ATOM 1350 C ARG A 86 4.624 -4.428 0.154 1.00 0.00 C ATOM 1351 O ARG A 86 4.041 -3.371 -0.089 1.00 0.00 O ATOM 1352 CB ARG A 86 4.886 -5.606 -2.023 1.00 0.00 C ATOM 1353 CG ARG A 86 4.650 -6.877 -2.841 1.00 0.00 C ATOM 1354 CD ARG A 86 5.370 -8.062 -2.199 1.00 0.00 C ATOM 1355 NE ARG A 86 5.140 -9.297 -2.958 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.712 -10.439 -2.418 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.444 -10.530 -1.118 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.538 -11.519 -3.176 1.00 0.00 N ATOM 0 H ARG A 86 2.362 -4.981 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 86 4.685 -6.557 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.456 -4.754 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.958 -5.424 -1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.582 -7.083 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.009 -6.734 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.439 -7.857 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.021 -8.191 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 86 5.319 -9.281 -3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.565 -9.717 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.118 -11.413 -0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.732 -11.477 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.210 -12.389 -2.756 1.00 0.00 H new ATOM 1372 N VAL A 87 5.573 -4.535 1.083 1.00 0.00 N ATOM 1373 CA VAL A 87 5.980 -3.395 1.886 1.00 0.00 C ATOM 1374 C VAL A 87 7.493 -3.380 2.039 1.00 0.00 C ATOM 1375 O VAL A 87 8.118 -4.412 2.271 1.00 0.00 O ATOM 1376 CB VAL A 87 5.297 -3.455 3.254 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.531 -2.127 3.965 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.804 -3.752 3.149 1.00 0.00 C ATOM 0 H VAL A 87 6.070 -5.400 1.294 1.00 0.00 H new ATOM 0 HA VAL A 87 5.677 -2.475 1.387 1.00 0.00 H new ATOM 0 HB VAL A 87 5.732 -4.276 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.052 -2.149 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.602 -1.964 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.107 -1.317 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.368 -3.784 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.318 -2.970 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.658 -4.715 2.659 1.00 0.00 H new ATOM 1388 N GLN A 88 8.071 -2.188 1.900 1.00 0.00 N ATOM 1389 CA GLN A 88 9.507 -1.984 1.939 1.00 0.00 C ATOM 1390 C GLN A 88 9.826 -0.496 2.037 1.00 0.00 C ATOM 1391 O GLN A 88 9.069 0.347 1.572 1.00 0.00 O ATOM 1392 CB GLN A 88 10.134 -2.561 0.664 1.00 0.00 C ATOM 1393 CG GLN A 88 9.405 -2.101 -0.601 1.00 0.00 C ATOM 1394 CD GLN A 88 10.115 -2.566 -1.866 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.339 -2.708 -1.891 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.357 -2.807 -2.932 1.00 0.00 N ATOM 0 H GLN A 88 7.542 -1.328 1.755 1.00 0.00 H new ATOM 0 HA GLN A 88 9.916 -2.489 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.180 -2.260 0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.118 -3.650 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.386 -2.488 -0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.333 -1.013 -0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.346 -2.680 -2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.786 -3.119 -3.803 1.00 0.00 H new ATOM 1405 N MET A 89 10.962 -0.174 2.653 1.00 0.00 N ATOM 1406 CA MET A 89 11.462 1.187 2.737 1.00 0.00 C ATOM 1407 C MET A 89 11.534 1.814 1.347 1.00 0.00 C ATOM 1408 O MET A 89 11.959 1.176 0.385 1.00 0.00 O ATOM 1409 CB MET A 89 12.840 1.151 3.393 1.00 0.00 C ATOM 1410 CG MET A 89 12.656 0.837 4.872 1.00 0.00 C ATOM 1411 SD MET A 89 12.109 2.269 5.835 1.00 0.00 S ATOM 1412 CE MET A 89 11.479 1.407 7.291 1.00 0.00 C ATOM 0 H MET A 89 11.563 -0.860 3.110 1.00 0.00 H new ATOM 0 HA MET A 89 10.788 1.799 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.467 0.395 2.919 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.346 2.109 3.268 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.927 0.034 4.979 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.598 0.470 5.280 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.478 2.086 8.144 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.463 1.064 7.099 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.116 0.550 7.511 1.00 0.00 H new ATOM 1422 N ALA A 90 11.113 3.079 1.254 1.00 0.00 N ATOM 1423 CA ALA A 90 11.151 3.856 0.025 1.00 0.00 C ATOM 1424 C ALA A 90 12.570 4.351 -0.258 1.00 0.00 C ATOM 1425 O ALA A 90 12.774 5.058 -1.239 1.00 0.00 O ATOM 1426 CB ALA A 90 10.184 5.031 0.164 1.00 0.00 C ATOM 0 H ALA A 90 10.731 3.594 2.047 1.00 0.00 H new ATOM 0 HA ALA A 90 10.850 3.231 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.200 5.625 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.176 4.654 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.486 5.653 1.007 1.00 0.00 H new