USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=13 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 Set 1.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -120:sc= -0.146 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -178:sc= -2.28! (180deg=-2.3) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -107:sc= 0.138 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -6.55! C(o=-10!,f=-6.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 30:sc= 0.509 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -4.61! C(o=-4.6!,f=-8.1!) USER MOD Single : A 42 MET CE :methyl -140:sc= -0.358 (180deg=-0.986) USER MOD Single : A 44 SER OG : rot 102:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.175 USER MOD Single : A 48 ASN : amide:sc= -0.0215 K(o=-0.021,f=-1.1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -2.31 F(o=-2.8,f=-2.3) USER MOD Single : A 60 ASN : amide:sc= -0.0482 K(o=-0.048,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 14 -9.949 -5.678 2.819 1.00 0.00 N ATOM 178 CA LEU A 14 -8.958 -6.121 3.793 1.00 0.00 C ATOM 179 C LEU A 14 -8.974 -5.229 5.031 1.00 0.00 C ATOM 180 O LEU A 14 -9.310 -4.046 4.969 1.00 0.00 O ATOM 181 CB LEU A 14 -7.562 -6.120 3.167 1.00 0.00 C ATOM 182 CG LEU A 14 -7.433 -6.822 1.815 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.126 -6.439 1.138 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.525 -8.331 1.987 1.00 0.00 C ATOM 0 HA LEU A 14 -9.212 -7.137 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.239 -5.086 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.872 -6.592 3.866 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.257 -6.498 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.051 -6.948 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.100 -5.361 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.289 -6.733 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.431 -8.814 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.722 -8.672 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.487 -8.589 2.429 1.00 0.00 H new ATOM 196 N PRO A 15 -8.600 -5.807 6.182 1.00 0.00 N ATOM 197 CA PRO A 15 -8.560 -5.082 7.455 1.00 0.00 C ATOM 198 C PRO A 15 -7.441 -4.047 7.498 1.00 0.00 C ATOM 199 O PRO A 15 -6.303 -4.333 7.127 1.00 0.00 O ATOM 200 CB PRO A 15 -8.306 -6.186 8.484 1.00 0.00 C ATOM 201 CG PRO A 15 -7.620 -7.265 7.721 1.00 0.00 C ATOM 202 CD PRO A 15 -8.187 -7.213 6.329 1.00 0.00 C ATOM 0 HA PRO A 15 -9.476 -4.518 7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.686 -5.826 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.239 -6.542 8.921 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.541 -7.109 7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.796 -8.239 8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.445 -7.494 5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.030 -7.894 6.213 1.00 0.00 H new ATOM 210 N ALA A 16 -7.772 -2.843 7.953 1.00 0.00 N ATOM 211 CA ALA A 16 -6.794 -1.766 8.046 1.00 0.00 C ATOM 212 C ALA A 16 -5.412 -2.308 8.394 1.00 0.00 C ATOM 213 O ALA A 16 -4.474 -2.194 7.606 1.00 0.00 O ATOM 214 CB ALA A 16 -7.236 -0.740 9.079 1.00 0.00 C ATOM 0 H ALA A 16 -8.710 -2.589 8.263 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.730 -1.281 7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.497 0.059 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.199 -0.322 8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.329 -1.221 10.053 1.00 0.00 H new ATOM 220 N GLU A 17 -5.294 -2.898 9.580 1.00 0.00 N ATOM 221 CA GLU A 17 -4.025 -3.456 10.032 1.00 0.00 C ATOM 222 C GLU A 17 -3.258 -4.077 8.868 1.00 0.00 C ATOM 223 O GLU A 17 -2.099 -3.743 8.626 1.00 0.00 O ATOM 224 CB GLU A 17 -4.263 -4.507 11.118 1.00 0.00 C ATOM 225 CG GLU A 17 -3.098 -4.661 12.082 1.00 0.00 C ATOM 226 CD GLU A 17 -3.238 -5.876 12.977 1.00 0.00 C ATOM 227 OE1 GLU A 17 -4.284 -6.000 13.649 1.00 0.00 O ATOM 228 OE2 GLU A 17 -2.302 -6.703 13.008 1.00 0.00 O ATOM 0 H GLU A 17 -6.061 -3.002 10.244 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.428 -2.644 10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.157 -4.239 11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.461 -5.468 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.170 -4.737 11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.022 -3.766 12.700 1.00 0.00 H new ATOM 235 N SER A 18 -3.915 -4.983 8.150 1.00 0.00 N ATOM 236 CA SER A 18 -3.295 -5.654 7.014 1.00 0.00 C ATOM 237 C SER A 18 -3.053 -4.674 5.870 1.00 0.00 C ATOM 238 O SER A 18 -1.964 -4.624 5.299 1.00 0.00 O ATOM 239 CB SER A 18 -4.176 -6.809 6.534 1.00 0.00 C ATOM 240 OG SER A 18 -4.233 -7.843 7.501 1.00 0.00 O ATOM 0 H SER A 18 -4.876 -5.269 8.335 1.00 0.00 H new ATOM 0 HA SER A 18 -2.333 -6.051 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.182 -6.442 6.329 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.784 -7.204 5.597 1.00 0.00 H new ATOM 0 HG SER A 18 -3.891 -8.675 7.111 1.00 0.00 H new ATOM 246 N VAL A 19 -4.079 -3.896 5.539 1.00 0.00 N ATOM 247 CA VAL A 19 -3.980 -2.916 4.464 1.00 0.00 C ATOM 248 C VAL A 19 -2.704 -2.090 4.589 1.00 0.00 C ATOM 249 O VAL A 19 -1.917 -1.996 3.647 1.00 0.00 O ATOM 250 CB VAL A 19 -5.193 -1.967 4.455 1.00 0.00 C ATOM 251 CG1 VAL A 19 -4.963 -0.815 3.489 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.461 -2.728 4.098 1.00 0.00 C ATOM 0 H VAL A 19 -4.988 -3.926 6.000 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.958 -3.475 3.528 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.315 -1.551 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.831 -0.155 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.079 -0.255 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.814 -1.208 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.308 -2.042 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.352 -3.173 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.632 -3.515 4.833 1.00 0.00 H new ATOM 262 N LYS A 20 -2.504 -1.494 5.759 1.00 0.00 N ATOM 263 CA LYS A 20 -1.323 -0.676 6.011 1.00 0.00 C ATOM 264 C LYS A 20 -0.097 -1.267 5.322 1.00 0.00 C ATOM 265 O LYS A 20 0.713 -0.540 4.745 1.00 0.00 O ATOM 266 CB LYS A 20 -1.070 -0.559 7.515 1.00 0.00 C ATOM 267 CG LYS A 20 0.254 0.103 7.859 1.00 0.00 C ATOM 268 CD LYS A 20 0.281 0.578 9.302 1.00 0.00 C ATOM 269 CE LYS A 20 1.433 1.540 9.551 1.00 0.00 C ATOM 270 NZ LYS A 20 2.752 0.852 9.493 1.00 0.00 N ATOM 0 H LYS A 20 -3.145 -1.562 6.549 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.505 0.318 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.881 0.012 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.095 -1.555 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.069 -0.602 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.423 0.949 7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.662 1.068 9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.372 -0.281 9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.407 2.338 8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.310 2.009 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.511 1.541 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.787 0.107 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.881 0.426 8.553 1.00 0.00 H new ATOM 284 N ILE A 21 0.033 -2.588 5.386 1.00 0.00 N ATOM 285 CA ILE A 21 1.160 -3.275 4.766 1.00 0.00 C ATOM 286 C ILE A 21 1.142 -3.103 3.251 1.00 0.00 C ATOM 287 O ILE A 21 2.161 -2.775 2.641 1.00 0.00 O ATOM 288 CB ILE A 21 1.156 -4.778 5.101 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.504 -4.995 6.575 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.134 -5.523 4.205 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.298 -4.981 7.489 1.00 0.00 C ATOM 0 H ILE A 21 -0.627 -3.204 5.860 1.00 0.00 H new ATOM 0 HA ILE A 21 2.066 -2.824 5.170 1.00 0.00 H new ATOM 0 HB ILE A 21 0.156 -5.173 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.020 -5.949 6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.200 -4.219 6.894 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.120 -6.584 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.845 -5.391 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.139 -5.128 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.620 -5.141 8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.206 -4.018 7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.390 -5.775 7.196 1.00 0.00 H new ATOM 303 N LEU A 22 -0.021 -3.324 2.650 1.00 0.00 N ATOM 304 CA LEU A 22 -0.173 -3.192 1.205 1.00 0.00 C ATOM 305 C LEU A 22 -0.082 -1.730 0.779 1.00 0.00 C ATOM 306 O LEU A 22 0.724 -1.372 -0.080 1.00 0.00 O ATOM 307 CB LEU A 22 -1.510 -3.784 0.756 1.00 0.00 C ATOM 308 CG LEU A 22 -1.653 -5.300 0.893 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.034 -5.749 0.441 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.570 -6.012 0.095 1.00 0.00 C ATOM 0 H LEU A 22 -0.873 -3.596 3.140 1.00 0.00 H new ATOM 0 HA LEU A 22 0.639 -3.741 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.306 -3.311 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.670 -3.517 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.534 -5.564 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.117 -6.831 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.793 -5.265 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.183 -5.473 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.687 -7.090 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.657 -5.742 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.411 -5.714 0.466 1.00 0.00 H new ATOM 322 N ARG A 23 -0.913 -0.890 1.387 1.00 0.00 N ATOM 323 CA ARG A 23 -0.926 0.534 1.072 1.00 0.00 C ATOM 324 C ARG A 23 0.487 1.108 1.096 1.00 0.00 C ATOM 325 O ARG A 23 0.985 1.602 0.083 1.00 0.00 O ATOM 326 CB ARG A 23 -1.812 1.289 2.064 1.00 0.00 C ATOM 327 CG ARG A 23 -3.273 1.352 1.650 1.00 0.00 C ATOM 328 CD ARG A 23 -4.065 2.295 2.542 1.00 0.00 C ATOM 329 NE ARG A 23 -3.624 3.680 2.401 1.00 0.00 N ATOM 330 CZ ARG A 23 -2.646 4.217 3.123 1.00 0.00 C ATOM 331 NH1 ARG A 23 -2.011 3.489 4.030 1.00 0.00 N ATOM 332 NH2 ARG A 23 -2.302 5.485 2.937 1.00 0.00 N ATOM 0 H ARG A 23 -1.586 -1.170 2.100 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.332 0.655 0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.740 0.810 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.431 2.304 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.345 1.683 0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.709 0.354 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.124 2.225 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.960 1.985 3.582 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.092 4.267 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.272 2.514 4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.261 3.904 4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.788 6.048 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.551 5.896 3.492 1.00 0.00 H new ATOM 346 N ASP A 24 1.128 1.042 2.257 1.00 0.00 N ATOM 347 CA ASP A 24 2.484 1.555 2.413 1.00 0.00 C ATOM 348 C ASP A 24 3.328 1.243 1.181 1.00 0.00 C ATOM 349 O ASP A 24 4.096 2.084 0.713 1.00 0.00 O ATOM 350 CB ASP A 24 3.139 0.957 3.659 1.00 0.00 C ATOM 351 CG ASP A 24 4.257 1.826 4.200 1.00 0.00 C ATOM 352 OD1 ASP A 24 4.854 2.584 3.407 1.00 0.00 O ATOM 353 OD2 ASP A 24 4.536 1.747 5.415 1.00 0.00 O ATOM 0 H ASP A 24 0.730 0.638 3.105 1.00 0.00 H new ATOM 0 HA ASP A 24 2.425 2.637 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.383 0.819 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.534 -0.030 3.420 1.00 0.00 H new ATOM 358 N TRP A 25 3.182 0.030 0.662 1.00 0.00 N ATOM 359 CA TRP A 25 3.932 -0.393 -0.515 1.00 0.00 C ATOM 360 C TRP A 25 3.343 0.215 -1.784 1.00 0.00 C ATOM 361 O TRP A 25 4.074 0.607 -2.692 1.00 0.00 O ATOM 362 CB TRP A 25 3.936 -1.919 -0.621 1.00 0.00 C ATOM 363 CG TRP A 25 4.537 -2.424 -1.898 1.00 0.00 C ATOM 364 CD1 TRP A 25 5.787 -2.950 -2.064 1.00 0.00 C ATOM 365 CD2 TRP A 25 3.915 -2.449 -3.187 1.00 0.00 C ATOM 366 NE1 TRP A 25 5.979 -3.300 -3.379 1.00 0.00 N ATOM 367 CE2 TRP A 25 4.845 -3.004 -4.088 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.662 -2.059 -3.667 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.560 -3.176 -5.440 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.381 -2.230 -5.010 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.325 -2.785 -5.883 1.00 0.00 C ATOM 0 H TRP A 25 2.551 -0.678 1.037 1.00 0.00 H new ATOM 0 HA TRP A 25 4.958 -0.040 -0.407 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.490 -2.333 0.222 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.912 -2.284 -0.540 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.517 -3.073 -1.277 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.828 -3.713 -3.765 1.00 0.00 H new ATOM 0 HE3 TRP A 25 1.927 -1.632 -3.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.287 -3.603 -6.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.417 -1.930 -5.393 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.074 -2.907 -6.926 1.00 0.00 H new ATOM 382 N MET A 26 2.017 0.290 -1.838 1.00 0.00 N ATOM 383 CA MET A 26 1.331 0.852 -2.996 1.00 0.00 C ATOM 384 C MET A 26 1.757 2.298 -3.231 1.00 0.00 C ATOM 385 O MET A 26 1.660 2.810 -4.346 1.00 0.00 O ATOM 386 CB MET A 26 -0.185 0.780 -2.802 1.00 0.00 C ATOM 387 CG MET A 26 -0.975 1.321 -3.982 1.00 0.00 C ATOM 388 SD MET A 26 -2.670 1.754 -3.543 1.00 0.00 S ATOM 389 CE MET A 26 -3.584 0.851 -4.791 1.00 0.00 C ATOM 0 H MET A 26 1.397 -0.031 -1.094 1.00 0.00 H new ATOM 0 HA MET A 26 1.606 0.264 -3.871 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.472 -0.257 -2.628 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.455 1.340 -1.907 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.470 2.202 -4.379 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.989 0.576 -4.777 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.650 1.047 -4.674 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.262 1.173 -5.782 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.397 -0.217 -4.678 1.00 0.00 H new ATOM 399 N TYR A 27 2.228 2.950 -2.174 1.00 0.00 N ATOM 400 CA TYR A 27 2.667 4.338 -2.266 1.00 0.00 C ATOM 401 C TYR A 27 3.978 4.445 -3.038 1.00 0.00 C ATOM 402 O TYR A 27 4.041 5.074 -4.094 1.00 0.00 O ATOM 403 CB TYR A 27 2.835 4.935 -0.867 1.00 0.00 C ATOM 404 CG TYR A 27 2.725 6.442 -0.835 1.00 0.00 C ATOM 405 CD1 TYR A 27 3.613 7.238 -1.548 1.00 0.00 C ATOM 406 CD2 TYR A 27 1.735 7.071 -0.091 1.00 0.00 C ATOM 407 CE1 TYR A 27 3.518 8.616 -1.522 1.00 0.00 C ATOM 408 CE2 TYR A 27 1.630 8.448 -0.060 1.00 0.00 C ATOM 409 CZ TYR A 27 2.524 9.216 -0.777 1.00 0.00 C ATOM 410 OH TYR A 27 2.425 10.588 -0.747 1.00 0.00 O ATOM 0 H TYR A 27 2.316 2.540 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 27 1.903 4.899 -2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.079 4.510 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.807 4.641 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.392 6.771 -2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.035 6.473 0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.217 9.220 -2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.853 8.921 0.522 1.00 0.00 H new ATOM 0 HH TYR A 27 1.672 10.849 -0.177 1.00 0.00 H new ATOM 420 N LYS A 28 5.025 3.826 -2.502 1.00 0.00 N ATOM 421 CA LYS A 28 6.336 3.848 -3.139 1.00 0.00 C ATOM 422 C LYS A 28 6.246 3.373 -4.586 1.00 0.00 C ATOM 423 O LYS A 28 6.956 3.873 -5.460 1.00 0.00 O ATOM 424 CB LYS A 28 7.318 2.969 -2.362 1.00 0.00 C ATOM 425 CG LYS A 28 7.812 3.602 -1.073 1.00 0.00 C ATOM 426 CD LYS A 28 8.726 2.662 -0.304 1.00 0.00 C ATOM 427 CE LYS A 28 7.937 1.767 0.640 1.00 0.00 C ATOM 428 NZ LYS A 28 7.666 2.437 1.942 1.00 0.00 N ATOM 0 H LYS A 28 4.990 3.303 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 28 6.697 4.876 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.837 2.019 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.174 2.745 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.346 4.524 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.960 3.873 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.290 2.046 -1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.452 3.243 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.993 1.488 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.491 0.845 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.265 2.016 2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.878 3.452 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.665 2.312 2.195 1.00 0.00 H new ATOM 442 N HIS A 29 5.369 2.405 -4.833 1.00 0.00 N ATOM 443 CA HIS A 29 5.185 1.864 -6.175 1.00 0.00 C ATOM 444 C HIS A 29 3.931 2.439 -6.825 1.00 0.00 C ATOM 445 O HIS A 29 3.567 2.058 -7.938 1.00 0.00 O ATOM 446 CB HIS A 29 5.094 0.338 -6.124 1.00 0.00 C ATOM 447 CG HIS A 29 6.265 -0.310 -5.451 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.421 -0.756 -4.183 1.00 0.00 N flip ATOM 449 CD2 HIS A 29 7.458 -0.562 -6.095 1.00 0.00 C flip ATOM 450 CE1 HIS A 29 7.693 -1.266 -4.084 1.00 0.00 C flip ATOM 451 NE2 HIS A 29 8.297 -1.137 -5.252 1.00 0.00 N flip ATOM 0 H HIS A 29 4.775 1.979 -4.122 1.00 0.00 H new ATOM 0 HA HIS A 29 6.048 2.149 -6.777 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.181 0.054 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.011 -0.047 -7.140 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.724 -0.720 -3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.673 -0.326 -7.127 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.128 -1.701 -3.196 1.00 0.00 H new ATOM 460 N ARG A 30 3.274 3.357 -6.124 1.00 0.00 N ATOM 461 CA ARG A 30 2.059 3.982 -6.633 1.00 0.00 C ATOM 462 C ARG A 30 2.198 4.311 -8.116 1.00 0.00 C ATOM 463 O ARG A 30 1.214 4.312 -8.857 1.00 0.00 O ATOM 464 CB ARG A 30 1.747 5.256 -5.844 1.00 0.00 C ATOM 465 CG ARG A 30 2.718 6.393 -6.115 1.00 0.00 C ATOM 466 CD ARG A 30 2.614 7.479 -5.055 1.00 0.00 C ATOM 467 NE ARG A 30 3.820 8.301 -4.993 1.00 0.00 N ATOM 468 CZ ARG A 30 3.850 9.524 -4.476 1.00 0.00 C ATOM 469 NH1 ARG A 30 2.746 10.063 -3.977 1.00 0.00 N ATOM 470 NH2 ARG A 30 4.985 10.209 -4.456 1.00 0.00 N ATOM 0 H ARG A 30 3.563 3.685 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 30 1.238 3.276 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.737 5.586 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.759 5.026 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.736 6.005 -6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.514 6.821 -7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.754 8.113 -5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.438 7.020 -4.082 1.00 0.00 H new ATOM 0 HE ARG A 30 4.687 7.914 -5.367 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.871 9.538 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.771 11.002 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.836 9.797 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.007 11.148 -4.059 1.00 0.00 H new ATOM 484 N PHE A 31 3.425 4.591 -8.543 1.00 0.00 N ATOM 485 CA PHE A 31 3.692 4.924 -9.938 1.00 0.00 C ATOM 486 C PHE A 31 2.922 3.998 -10.875 1.00 0.00 C ATOM 487 O PHE A 31 2.329 4.443 -11.857 1.00 0.00 O ATOM 488 CB PHE A 31 5.191 4.830 -10.228 1.00 0.00 C ATOM 489 CG PHE A 31 5.934 6.108 -9.964 1.00 0.00 C ATOM 490 CD1 PHE A 31 5.579 6.925 -8.903 1.00 0.00 C ATOM 491 CD2 PHE A 31 6.988 6.493 -10.777 1.00 0.00 C ATOM 492 CE1 PHE A 31 6.261 8.102 -8.659 1.00 0.00 C ATOM 493 CE2 PHE A 31 7.674 7.669 -10.537 1.00 0.00 C ATOM 494 CZ PHE A 31 7.310 8.474 -9.476 1.00 0.00 C ATOM 0 H PHE A 31 4.250 4.594 -7.943 1.00 0.00 H new ATOM 0 HA PHE A 31 3.358 5.947 -10.112 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.622 4.036 -9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.334 4.545 -11.270 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.760 6.639 -8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.277 5.867 -11.608 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.973 8.731 -7.829 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.493 7.958 -11.179 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.845 9.393 -9.286 1.00 0.00 H new ATOM 504 N LYS A 32 2.936 2.706 -10.563 1.00 0.00 N ATOM 505 CA LYS A 32 2.240 1.715 -11.375 1.00 0.00 C ATOM 506 C LYS A 32 1.090 1.084 -10.596 1.00 0.00 C ATOM 507 O LYS A 32 0.111 0.622 -11.181 1.00 0.00 O ATOM 508 CB LYS A 32 3.213 0.629 -11.838 1.00 0.00 C ATOM 509 CG LYS A 32 3.691 -0.278 -10.717 1.00 0.00 C ATOM 510 CD LYS A 32 4.986 0.228 -10.104 1.00 0.00 C ATOM 511 CE LYS A 32 6.188 -0.141 -10.959 1.00 0.00 C ATOM 512 NZ LYS A 32 7.409 0.609 -10.552 1.00 0.00 N ATOM 0 H LYS A 32 3.422 2.321 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 32 1.829 2.222 -12.248 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.730 0.022 -12.604 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.077 1.102 -12.305 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.923 -0.341 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.840 -1.287 -11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.937 1.311 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.106 -0.192 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.376 -1.212 -10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.966 0.066 -12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.206 0.330 -11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.239 1.630 -10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.635 0.392 -9.560 1.00 0.00 H new ATOM 526 N ALA A 33 1.216 1.069 -9.273 1.00 0.00 N ATOM 527 CA ALA A 33 0.186 0.498 -8.414 1.00 0.00 C ATOM 528 C ALA A 33 -0.088 -0.957 -8.778 1.00 0.00 C ATOM 529 O ALA A 33 -1.240 -1.362 -8.933 1.00 0.00 O ATOM 530 CB ALA A 33 -1.092 1.317 -8.507 1.00 0.00 C ATOM 0 H ALA A 33 2.021 1.446 -8.773 1.00 0.00 H new ATOM 0 HA ALA A 33 0.548 0.526 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.853 0.879 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.892 2.341 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.449 1.319 -9.537 1.00 0.00 H new ATOM 536 N TYR A 34 0.978 -1.739 -8.915 1.00 0.00 N ATOM 537 CA TYR A 34 0.852 -3.148 -9.264 1.00 0.00 C ATOM 538 C TYR A 34 2.112 -3.919 -8.883 1.00 0.00 C ATOM 539 O TYR A 34 3.150 -3.827 -9.538 1.00 0.00 O ATOM 540 CB TYR A 34 0.581 -3.302 -10.762 1.00 0.00 C ATOM 541 CG TYR A 34 -0.816 -2.892 -11.170 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.929 -3.564 -10.680 1.00 0.00 C ATOM 543 CD2 TYR A 34 -1.024 -1.833 -12.045 1.00 0.00 C ATOM 544 CE1 TYR A 34 -3.208 -3.194 -11.050 1.00 0.00 C ATOM 545 CE2 TYR A 34 -2.299 -1.455 -12.420 1.00 0.00 C ATOM 546 CZ TYR A 34 -3.387 -2.138 -11.920 1.00 0.00 C ATOM 547 OH TYR A 34 -4.659 -1.766 -12.291 1.00 0.00 O ATOM 0 H TYR A 34 1.939 -1.420 -8.789 1.00 0.00 H new ATOM 0 HA TYR A 34 0.012 -3.560 -8.705 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.303 -2.703 -11.317 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.743 -4.341 -11.047 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.792 -4.390 -9.998 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.174 -1.296 -12.439 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.062 -3.728 -10.661 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.442 -0.629 -13.101 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.284 -1.969 -11.564 1.00 0.00 H new ATOM 557 N PRO A 35 2.020 -4.700 -7.796 1.00 0.00 N ATOM 558 CA PRO A 35 3.142 -5.504 -7.302 1.00 0.00 C ATOM 559 C PRO A 35 3.475 -6.667 -8.229 1.00 0.00 C ATOM 560 O PRO A 35 2.752 -6.934 -9.189 1.00 0.00 O ATOM 561 CB PRO A 35 2.638 -6.023 -5.952 1.00 0.00 C ATOM 562 CG PRO A 35 1.154 -6.021 -6.075 1.00 0.00 C ATOM 563 CD PRO A 35 0.814 -4.858 -6.966 1.00 0.00 C ATOM 0 HA PRO A 35 4.062 -4.923 -7.235 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.017 -7.024 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.968 -5.383 -5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.797 -6.958 -6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.682 -5.916 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.068 -5.062 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.603 -3.958 -6.389 1.00 0.00 H new ATOM 571 N SER A 36 4.573 -7.356 -7.936 1.00 0.00 N ATOM 572 CA SER A 36 5.003 -8.489 -8.747 1.00 0.00 C ATOM 573 C SER A 36 4.741 -9.806 -8.023 1.00 0.00 C ATOM 574 O SER A 36 4.750 -9.862 -6.793 1.00 0.00 O ATOM 575 CB SER A 36 6.490 -8.367 -9.084 1.00 0.00 C ATOM 576 OG SER A 36 6.859 -9.281 -10.102 1.00 0.00 O ATOM 0 H SER A 36 5.181 -7.150 -7.143 1.00 0.00 H new ATOM 0 HA SER A 36 4.426 -8.482 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.711 -7.350 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.085 -8.554 -8.190 1.00 0.00 H new ATOM 0 HG SER A 36 7.814 -9.182 -10.300 1.00 0.00 H new ATOM 582 N GLU A 37 4.507 -10.863 -8.795 1.00 0.00 N ATOM 583 CA GLU A 37 4.241 -12.179 -8.227 1.00 0.00 C ATOM 584 C GLU A 37 5.101 -12.421 -6.989 1.00 0.00 C ATOM 585 O GLU A 37 4.722 -13.180 -6.097 1.00 0.00 O ATOM 586 CB GLU A 37 4.505 -13.271 -9.266 1.00 0.00 C ATOM 587 CG GLU A 37 3.759 -14.565 -8.993 1.00 0.00 C ATOM 588 CD GLU A 37 4.235 -15.709 -9.866 1.00 0.00 C ATOM 589 OE1 GLU A 37 3.924 -15.703 -11.075 1.00 0.00 O ATOM 590 OE2 GLU A 37 4.920 -16.611 -9.340 1.00 0.00 O ATOM 0 H GLU A 37 4.496 -10.833 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 37 3.192 -12.214 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.222 -12.899 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.575 -13.478 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.883 -14.837 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.693 -14.407 -9.157 1.00 0.00 H new ATOM 597 N GLU A 38 6.259 -11.771 -6.944 1.00 0.00 N ATOM 598 CA GLU A 38 7.173 -11.917 -5.817 1.00 0.00 C ATOM 599 C GLU A 38 6.736 -11.043 -4.645 1.00 0.00 C ATOM 600 O GLU A 38 6.647 -11.508 -3.510 1.00 0.00 O ATOM 601 CB GLU A 38 8.598 -11.552 -6.237 1.00 0.00 C ATOM 602 CG GLU A 38 9.145 -12.421 -7.357 1.00 0.00 C ATOM 603 CD GLU A 38 10.518 -11.977 -7.822 1.00 0.00 C ATOM 604 OE1 GLU A 38 10.598 -10.984 -8.575 1.00 0.00 O ATOM 605 OE2 GLU A 38 11.513 -12.624 -7.433 1.00 0.00 O ATOM 0 H GLU A 38 6.587 -11.139 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 38 7.152 -12.959 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.618 -10.510 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.255 -11.634 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.198 -13.455 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.455 -12.398 -8.200 1.00 0.00 H new ATOM 612 N GLU A 39 6.465 -9.773 -4.931 1.00 0.00 N ATOM 613 CA GLU A 39 6.038 -8.833 -3.901 1.00 0.00 C ATOM 614 C GLU A 39 4.776 -9.329 -3.201 1.00 0.00 C ATOM 615 O GLU A 39 4.729 -9.424 -1.974 1.00 0.00 O ATOM 616 CB GLU A 39 5.787 -7.453 -4.511 1.00 0.00 C ATOM 617 CG GLU A 39 7.042 -6.790 -5.054 1.00 0.00 C ATOM 618 CD GLU A 39 6.744 -5.520 -5.827 1.00 0.00 C ATOM 619 OE1 GLU A 39 6.087 -5.611 -6.885 1.00 0.00 O ATOM 620 OE2 GLU A 39 7.166 -4.436 -5.374 1.00 0.00 O ATOM 0 H GLU A 39 6.534 -9.372 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 39 6.836 -8.756 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.059 -7.548 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.343 -6.806 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.713 -6.558 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.567 -7.491 -5.703 1.00 0.00 H new ATOM 627 N LYS A 40 3.754 -9.643 -3.989 1.00 0.00 N ATOM 628 CA LYS A 40 2.491 -10.130 -3.448 1.00 0.00 C ATOM 629 C LYS A 40 2.725 -11.267 -2.459 1.00 0.00 C ATOM 630 O LYS A 40 2.300 -11.196 -1.306 1.00 0.00 O ATOM 631 CB LYS A 40 1.576 -10.604 -4.579 1.00 0.00 C ATOM 632 CG LYS A 40 1.814 -9.885 -5.896 1.00 0.00 C ATOM 633 CD LYS A 40 0.588 -9.943 -6.792 1.00 0.00 C ATOM 634 CE LYS A 40 0.922 -9.536 -8.219 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.115 -9.996 -9.184 1.00 0.00 N ATOM 0 H LYS A 40 3.776 -9.569 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 40 2.009 -9.306 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.721 -11.674 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.538 -10.461 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.075 -8.845 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.663 -10.336 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.179 -10.954 -6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.185 -9.285 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.015 -8.451 -8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.889 -9.953 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.149 -9.699 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.186 -11.033 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.033 -9.578 -8.932 1.00 0.00 H new ATOM 649 N GLN A 41 3.404 -12.314 -2.917 1.00 0.00 N ATOM 650 CA GLN A 41 3.695 -13.466 -2.071 1.00 0.00 C ATOM 651 C GLN A 41 4.376 -13.032 -0.778 1.00 0.00 C ATOM 652 O GLN A 41 4.161 -13.628 0.278 1.00 0.00 O ATOM 653 CB GLN A 41 4.580 -14.464 -2.819 1.00 0.00 C ATOM 654 CG GLN A 41 4.526 -15.872 -2.248 1.00 0.00 C ATOM 655 CD GLN A 41 3.114 -16.313 -1.917 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.344 -16.686 -2.802 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.767 -16.274 -0.636 1.00 0.00 N ATOM 0 H GLN A 41 3.763 -12.388 -3.869 1.00 0.00 H new ATOM 0 HA GLN A 41 2.751 -13.948 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.276 -14.493 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.611 -14.111 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.961 -16.568 -2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.138 -15.918 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.438 -15.958 0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.830 -16.560 -0.353 1.00 0.00 H new ATOM 666 N MET A 42 5.199 -11.993 -0.868 1.00 0.00 N ATOM 667 CA MET A 42 5.912 -11.480 0.297 1.00 0.00 C ATOM 668 C MET A 42 4.948 -10.812 1.273 1.00 0.00 C ATOM 669 O MET A 42 4.919 -11.146 2.458 1.00 0.00 O ATOM 670 CB MET A 42 6.989 -10.484 -0.136 1.00 0.00 C ATOM 671 CG MET A 42 7.385 -9.504 0.956 1.00 0.00 C ATOM 672 SD MET A 42 8.473 -8.197 0.356 1.00 0.00 S ATOM 673 CE MET A 42 7.316 -7.195 -0.575 1.00 0.00 C ATOM 0 H MET A 42 5.389 -11.490 -1.735 1.00 0.00 H new ATOM 0 HA MET A 42 6.387 -12.321 0.801 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.873 -11.034 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.630 -9.926 -1.001 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.486 -9.057 1.381 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.883 -10.045 1.761 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.790 -6.851 -1.494 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.436 -7.789 -0.821 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.017 -6.334 0.023 1.00 0.00 H new ATOM 683 N LEU A 43 4.162 -9.868 0.768 1.00 0.00 N ATOM 684 CA LEU A 43 3.197 -9.152 1.597 1.00 0.00 C ATOM 685 C LEU A 43 2.194 -10.117 2.220 1.00 0.00 C ATOM 686 O LEU A 43 1.902 -10.040 3.413 1.00 0.00 O ATOM 687 CB LEU A 43 2.461 -8.101 0.764 1.00 0.00 C ATOM 688 CG LEU A 43 3.343 -7.135 -0.028 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.633 -6.681 -1.294 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.727 -5.938 0.829 1.00 0.00 C ATOM 0 H LEU A 43 4.173 -9.580 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 43 3.742 -8.655 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.802 -8.616 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.825 -7.518 1.430 1.00 0.00 H new ATOM 0 HG LEU A 43 4.255 -7.658 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.275 -5.994 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.410 -7.547 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.704 -6.176 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.355 -5.261 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.826 -5.414 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.276 -6.280 1.706 1.00 0.00 H new ATOM 702 N SER A 44 1.670 -11.027 1.404 1.00 0.00 N ATOM 703 CA SER A 44 0.698 -12.007 1.875 1.00 0.00 C ATOM 704 C SER A 44 1.129 -12.599 3.214 1.00 0.00 C ATOM 705 O SER A 44 0.296 -13.043 4.004 1.00 0.00 O ATOM 706 CB SER A 44 0.526 -13.123 0.843 1.00 0.00 C ATOM 707 OG SER A 44 0.183 -14.347 1.467 1.00 0.00 O ATOM 0 H SER A 44 1.902 -11.106 0.414 1.00 0.00 H new ATOM 0 HA SER A 44 -0.256 -11.499 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.249 -12.846 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.450 -13.246 0.278 1.00 0.00 H new ATOM 0 HG SER A 44 -0.779 -14.506 1.368 1.00 0.00 H new ATOM 713 N GLU A 45 2.435 -12.603 3.460 1.00 0.00 N ATOM 714 CA GLU A 45 2.976 -13.141 4.702 1.00 0.00 C ATOM 715 C GLU A 45 2.677 -12.211 5.874 1.00 0.00 C ATOM 716 O GLU A 45 2.337 -12.662 6.968 1.00 0.00 O ATOM 717 CB GLU A 45 4.487 -13.352 4.577 1.00 0.00 C ATOM 718 CG GLU A 45 4.871 -14.420 3.567 1.00 0.00 C ATOM 719 CD GLU A 45 6.367 -14.483 3.325 1.00 0.00 C ATOM 720 OE1 GLU A 45 7.130 -14.024 4.200 1.00 0.00 O ATOM 721 OE2 GLU A 45 6.773 -14.991 2.259 1.00 0.00 O ATOM 0 H GLU A 45 3.138 -12.240 2.816 1.00 0.00 H new ATOM 0 HA GLU A 45 2.496 -14.101 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.955 -12.410 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.889 -13.625 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.523 -15.391 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.362 -14.222 2.624 1.00 0.00 H new ATOM 728 N LYS A 46 2.805 -10.910 5.638 1.00 0.00 N ATOM 729 CA LYS A 46 2.548 -9.915 6.672 1.00 0.00 C ATOM 730 C LYS A 46 1.051 -9.664 6.825 1.00 0.00 C ATOM 731 O LYS A 46 0.552 -9.481 7.935 1.00 0.00 O ATOM 732 CB LYS A 46 3.265 -8.605 6.337 1.00 0.00 C ATOM 733 CG LYS A 46 4.774 -8.682 6.485 1.00 0.00 C ATOM 734 CD LYS A 46 5.431 -9.221 5.225 1.00 0.00 C ATOM 735 CE LYS A 46 6.907 -8.858 5.167 1.00 0.00 C ATOM 736 NZ LYS A 46 7.127 -7.530 4.530 1.00 0.00 N ATOM 0 H LYS A 46 3.086 -10.520 4.738 1.00 0.00 H new ATOM 0 HA LYS A 46 2.932 -10.301 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.023 -8.320 5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.885 -7.816 6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.170 -7.691 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.025 -9.323 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.320 -10.305 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.922 -8.821 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.319 -8.849 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.447 -9.623 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.145 -7.319 4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.757 -7.546 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.633 -6.796 5.077 1.00 0.00 H new ATOM 750 N THR A 47 0.339 -9.656 5.702 1.00 0.00 N ATOM 751 CA THR A 47 -1.100 -9.428 5.712 1.00 0.00 C ATOM 752 C THR A 47 -1.863 -10.734 5.900 1.00 0.00 C ATOM 753 O THR A 47 -3.029 -10.732 6.291 1.00 0.00 O ATOM 754 CB THR A 47 -1.571 -8.755 4.408 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.328 -9.621 3.294 1.00 0.00 O ATOM 756 CG2 THR A 47 -0.853 -7.431 4.193 1.00 0.00 C ATOM 0 H THR A 47 0.736 -9.805 4.774 1.00 0.00 H new ATOM 0 HA THR A 47 -1.309 -8.765 6.551 1.00 0.00 H new ATOM 0 HB THR A 47 -2.641 -8.562 4.491 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.165 -9.083 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.202 -6.974 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.063 -6.763 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.221 -7.606 4.130 1.00 0.00 H new ATOM 764 N ASN A 48 -1.197 -11.849 5.619 1.00 0.00 N ATOM 765 CA ASN A 48 -1.813 -13.164 5.758 1.00 0.00 C ATOM 766 C ASN A 48 -2.990 -13.316 4.799 1.00 0.00 C ATOM 767 O ASN A 48 -4.013 -13.908 5.145 1.00 0.00 O ATOM 768 CB ASN A 48 -2.282 -13.380 7.198 1.00 0.00 C ATOM 769 CG ASN A 48 -1.134 -13.362 8.189 1.00 0.00 C ATOM 770 OD1 ASN A 48 -0.018 -13.773 7.870 1.00 0.00 O ATOM 771 ND2 ASN A 48 -1.404 -12.883 9.398 1.00 0.00 N ATOM 0 H ASN A 48 -0.230 -11.869 5.294 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.065 -13.917 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.000 -12.604 7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.804 -14.334 7.268 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.671 -12.845 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.344 -12.553 9.618 1.00 0.00 H new ATOM 778 N LEU A 49 -2.837 -12.780 3.594 1.00 0.00 N ATOM 779 CA LEU A 49 -3.887 -12.857 2.583 1.00 0.00 C ATOM 780 C LEU A 49 -3.492 -13.808 1.458 1.00 0.00 C ATOM 781 O LEU A 49 -2.442 -14.449 1.514 1.00 0.00 O ATOM 782 CB LEU A 49 -4.177 -11.467 2.014 1.00 0.00 C ATOM 783 CG LEU A 49 -4.449 -10.365 3.038 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.294 -8.993 2.400 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.839 -10.523 3.635 1.00 0.00 C ATOM 0 H LEU A 49 -1.996 -12.287 3.292 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.788 -13.243 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.329 -11.164 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.039 -11.540 1.352 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.718 -10.454 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.491 -8.221 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.278 -8.880 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.001 -8.893 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.015 -9.730 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.585 -10.461 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.915 -11.491 4.129 1.00 0.00 H new ATOM 797 N SER A 50 -4.339 -13.893 0.437 1.00 0.00 N ATOM 798 CA SER A 50 -4.078 -14.767 -0.701 1.00 0.00 C ATOM 799 C SER A 50 -3.691 -13.954 -1.932 1.00 0.00 C ATOM 800 O SER A 50 -4.330 -12.952 -2.256 1.00 0.00 O ATOM 801 CB SER A 50 -5.310 -15.622 -1.006 1.00 0.00 C ATOM 802 OG SER A 50 -5.680 -16.403 0.117 1.00 0.00 O ATOM 0 H SER A 50 -5.211 -13.368 0.374 1.00 0.00 H new ATOM 0 HA SER A 50 -3.245 -15.421 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.141 -14.978 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.103 -16.274 -1.854 1.00 0.00 H new ATOM 0 HG SER A 50 -6.471 -16.939 -0.103 1.00 0.00 H new ATOM 808 N LEU A 51 -2.640 -14.393 -2.616 1.00 0.00 N ATOM 809 CA LEU A 51 -2.166 -13.707 -3.813 1.00 0.00 C ATOM 810 C LEU A 51 -3.331 -13.119 -4.602 1.00 0.00 C ATOM 811 O LEU A 51 -3.255 -11.994 -5.097 1.00 0.00 O ATOM 812 CB LEU A 51 -1.372 -14.672 -4.696 1.00 0.00 C ATOM 813 CG LEU A 51 -0.103 -15.259 -4.078 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.554 -16.239 -5.037 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.867 -14.150 -3.698 1.00 0.00 C ATOM 0 H LEU A 51 -2.100 -15.220 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.515 -12.890 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.028 -15.495 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.098 -14.151 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.379 -15.799 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.456 -16.646 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.139 -17.051 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.817 -15.723 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.765 -14.586 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.137 -13.582 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.395 -13.486 -2.974 1.00 0.00 H new ATOM 827 N LEU A 52 -4.410 -13.886 -4.713 1.00 0.00 N ATOM 828 CA LEU A 52 -5.594 -13.441 -5.439 1.00 0.00 C ATOM 829 C LEU A 52 -6.178 -12.180 -4.809 1.00 0.00 C ATOM 830 O LEU A 52 -6.489 -11.214 -5.505 1.00 0.00 O ATOM 831 CB LEU A 52 -6.649 -14.548 -5.463 1.00 0.00 C ATOM 832 CG LEU A 52 -8.060 -14.122 -5.869 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.109 -13.781 -7.351 1.00 0.00 C ATOM 834 CD2 LEU A 52 -9.064 -15.217 -5.539 1.00 0.00 C ATOM 0 H LEU A 52 -4.489 -14.819 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.296 -13.210 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.315 -15.326 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.698 -14.997 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.326 -13.230 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.121 -13.480 -7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.419 -12.963 -7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.822 -14.655 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.063 -14.896 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.800 -16.127 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.049 -15.413 -4.467 1.00 0.00 H new ATOM 846 N GLN A 53 -6.320 -12.197 -3.488 1.00 0.00 N ATOM 847 CA GLN A 53 -6.865 -11.054 -2.764 1.00 0.00 C ATOM 848 C GLN A 53 -5.939 -9.847 -2.876 1.00 0.00 C ATOM 849 O GLN A 53 -6.397 -8.712 -3.004 1.00 0.00 O ATOM 850 CB GLN A 53 -7.080 -11.412 -1.292 1.00 0.00 C ATOM 851 CG GLN A 53 -8.311 -12.269 -1.048 1.00 0.00 C ATOM 852 CD GLN A 53 -8.770 -12.234 0.396 1.00 0.00 C ATOM 853 OE1 GLN A 53 -9.779 -11.609 0.724 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.030 -12.907 1.270 1.00 0.00 N ATOM 0 H GLN A 53 -6.066 -12.989 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.824 -10.796 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.201 -11.940 -0.923 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.166 -10.493 -0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.121 -11.926 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.094 -13.299 -1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.201 -13.412 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.290 -12.919 2.256 1.00 0.00 H new ATOM 863 N ILE A 54 -4.636 -10.101 -2.827 1.00 0.00 N ATOM 864 CA ILE A 54 -3.646 -9.035 -2.924 1.00 0.00 C ATOM 865 C ILE A 54 -3.865 -8.195 -4.177 1.00 0.00 C ATOM 866 O ILE A 54 -4.247 -7.028 -4.095 1.00 0.00 O ATOM 867 CB ILE A 54 -2.213 -9.598 -2.940 1.00 0.00 C ATOM 868 CG1 ILE A 54 -1.937 -10.389 -1.659 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.203 -8.471 -3.099 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.163 -9.590 -0.395 1.00 0.00 C ATOM 0 H ILE A 54 -4.241 -11.035 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.770 -8.407 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.114 -10.273 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.577 -11.271 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.906 -10.744 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.195 -8.885 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.389 -7.946 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.301 -7.774 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.948 -10.214 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.503 -8.722 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.200 -9.258 -0.355 1.00 0.00 H new ATOM 882 N SER A 55 -3.621 -8.797 -5.337 1.00 0.00 N ATOM 883 CA SER A 55 -3.789 -8.104 -6.608 1.00 0.00 C ATOM 884 C SER A 55 -5.190 -7.510 -6.722 1.00 0.00 C ATOM 885 O SER A 55 -5.355 -6.351 -7.102 1.00 0.00 O ATOM 886 CB SER A 55 -3.533 -9.062 -7.773 1.00 0.00 C ATOM 887 OG SER A 55 -3.267 -8.350 -8.970 1.00 0.00 O ATOM 0 H SER A 55 -3.306 -9.763 -5.422 1.00 0.00 H new ATOM 0 HA SER A 55 -3.064 -7.291 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.689 -9.710 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.400 -9.707 -7.915 1.00 0.00 H new ATOM 0 HG SER A 55 -3.105 -8.985 -9.699 1.00 0.00 H new ATOM 893 N ASN A 56 -6.195 -8.313 -6.390 1.00 0.00 N ATOM 894 CA ASN A 56 -7.583 -7.868 -6.455 1.00 0.00 C ATOM 895 C ASN A 56 -7.765 -6.546 -5.714 1.00 0.00 C ATOM 896 O ASN A 56 -8.289 -5.580 -6.269 1.00 0.00 O ATOM 897 CB ASN A 56 -8.509 -8.930 -5.860 1.00 0.00 C ATOM 898 CG ASN A 56 -8.709 -10.110 -6.792 1.00 0.00 C ATOM 899 OD1 ASN A 56 -9.427 -11.122 -6.320 1.00 0.00 O flip ATOM 900 ND2 ASN A 56 -8.223 -10.111 -7.923 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.075 -9.275 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.841 -7.716 -7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.094 -9.282 -4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.476 -8.480 -5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.678 -9.311 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.366 -10.912 -8.539 1.00 0.00 H new ATOM 907 N TRP A 57 -7.329 -6.512 -4.460 1.00 0.00 N ATOM 908 CA TRP A 57 -7.444 -5.309 -3.644 1.00 0.00 C ATOM 909 C TRP A 57 -6.816 -4.111 -4.348 1.00 0.00 C ATOM 910 O TRP A 57 -7.390 -3.022 -4.372 1.00 0.00 O ATOM 911 CB TRP A 57 -6.777 -5.524 -2.285 1.00 0.00 C ATOM 912 CG TRP A 57 -6.618 -4.261 -1.494 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.542 -3.692 -0.664 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.467 -3.410 -1.460 1.00 0.00 C ATOM 915 NE1 TRP A 57 -7.034 -2.538 -0.117 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.763 -2.344 -0.589 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.215 -3.446 -2.080 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.852 -1.324 -0.324 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.312 -2.434 -1.817 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.634 -1.385 -0.945 1.00 0.00 C ATOM 0 H TRP A 57 -6.893 -7.303 -3.986 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.504 -5.103 -3.493 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.368 -6.234 -1.707 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.796 -5.975 -2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.526 -4.090 -0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.524 -1.925 0.535 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.958 -4.251 -2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.098 -0.514 0.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.342 -2.451 -2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.906 -0.609 -0.759 1.00 0.00 H new ATOM 931 N PHE A 58 -5.635 -4.319 -4.921 1.00 0.00 N ATOM 932 CA PHE A 58 -4.929 -3.256 -5.625 1.00 0.00 C ATOM 933 C PHE A 58 -5.796 -2.670 -6.736 1.00 0.00 C ATOM 934 O PHE A 58 -5.717 -1.478 -7.036 1.00 0.00 O ATOM 935 CB PHE A 58 -3.618 -3.786 -6.211 1.00 0.00 C ATOM 936 CG PHE A 58 -2.449 -3.656 -5.278 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.754 -2.461 -5.179 1.00 0.00 C ATOM 938 CD2 PHE A 58 -2.044 -4.729 -4.500 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.677 -2.339 -4.322 1.00 0.00 C ATOM 940 CE2 PHE A 58 -0.967 -4.613 -3.641 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.284 -3.416 -3.551 1.00 0.00 C ATOM 0 H PHE A 58 -5.147 -5.215 -4.911 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.705 -2.466 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.746 -4.835 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.398 -3.249 -7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.058 -1.616 -5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.576 -5.667 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.143 -1.403 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.660 -5.457 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.556 -3.322 -2.879 1.00 0.00 H new ATOM 951 N ILE A 59 -6.622 -3.516 -7.342 1.00 0.00 N ATOM 952 CA ILE A 59 -7.503 -3.083 -8.419 1.00 0.00 C ATOM 953 C ILE A 59 -8.364 -1.903 -7.983 1.00 0.00 C ATOM 954 O ILE A 59 -8.149 -0.771 -8.415 1.00 0.00 O ATOM 955 CB ILE A 59 -8.421 -4.227 -8.889 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.587 -5.436 -9.316 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.308 -3.758 -10.033 1.00 0.00 C ATOM 958 CD1 ILE A 59 -8.411 -6.678 -9.575 1.00 0.00 C ATOM 0 H ILE A 59 -6.699 -4.505 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.863 -2.777 -9.247 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.060 -4.525 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.032 -5.183 -10.219 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.852 -5.652 -8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.951 -4.577 -10.354 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.924 -2.924 -9.697 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.685 -3.437 -10.868 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.754 -7.495 -9.874 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.946 -6.956 -8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.128 -6.479 -10.372 1.00 0.00 H new ATOM 970 N ASN A 60 -9.340 -2.175 -7.122 1.00 0.00 N ATOM 971 CA ASN A 60 -10.234 -1.134 -6.626 1.00 0.00 C ATOM 972 C ASN A 60 -9.455 -0.065 -5.865 1.00 0.00 C ATOM 973 O ASN A 60 -9.681 1.130 -6.049 1.00 0.00 O ATOM 974 CB ASN A 60 -11.305 -1.743 -5.718 1.00 0.00 C ATOM 975 CG ASN A 60 -12.009 -2.920 -6.364 1.00 0.00 C ATOM 976 OD1 ASN A 60 -12.104 -3.005 -7.589 1.00 0.00 O ATOM 977 ND2 ASN A 60 -12.506 -3.836 -5.542 1.00 0.00 N ATOM 0 H ASN A 60 -9.532 -3.107 -6.754 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.717 -0.665 -7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.845 -2.066 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.039 -0.979 -5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.990 -4.651 -5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.404 -3.725 -4.533 1.00 0.00 H new ATOM 984 N ALA A 61 -8.536 -0.505 -5.012 1.00 0.00 N ATOM 985 CA ALA A 61 -7.722 0.413 -4.226 1.00 0.00 C ATOM 986 C ALA A 61 -7.039 1.443 -5.119 1.00 0.00 C ATOM 987 O ALA A 61 -6.996 2.630 -4.793 1.00 0.00 O ATOM 988 CB ALA A 61 -6.687 -0.357 -3.419 1.00 0.00 C ATOM 0 H ALA A 61 -8.337 -1.492 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.380 0.945 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.086 0.342 -2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.192 -1.050 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.040 -0.916 -4.096 1.00 0.00 H new ATOM 994 N ARG A 62 -6.506 0.982 -6.245 1.00 0.00 N ATOM 995 CA ARG A 62 -5.823 1.864 -7.184 1.00 0.00 C ATOM 996 C ARG A 62 -6.798 2.866 -7.796 1.00 0.00 C ATOM 997 O ARG A 62 -6.406 3.725 -8.586 1.00 0.00 O ATOM 998 CB ARG A 62 -5.154 1.046 -8.291 1.00 0.00 C ATOM 999 CG ARG A 62 -4.270 1.874 -9.210 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.605 1.009 -10.270 1.00 0.00 C ATOM 1001 NE ARG A 62 -4.460 0.823 -11.439 1.00 0.00 N ATOM 1002 CZ ARG A 62 -4.576 1.716 -12.415 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -3.894 2.852 -12.362 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -5.374 1.474 -13.447 1.00 0.00 N ATOM 0 H ARG A 62 -6.534 0.003 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.059 2.415 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.554 0.258 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.925 0.557 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.868 2.647 -9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.506 2.382 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.666 1.470 -10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.359 0.037 -9.843 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.998 -0.041 -11.510 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.279 3.041 -11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.984 3.537 -13.113 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.900 0.601 -13.492 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.462 2.161 -14.196 1.00 0.00 H new ATOM 1018 N ARG A 63 -8.069 2.748 -7.427 1.00 0.00 N ATOM 1019 CA ARG A 63 -9.100 3.642 -7.941 1.00 0.00 C ATOM 1020 C ARG A 63 -9.489 4.682 -6.894 1.00 0.00 C ATOM 1021 O ARG A 63 -9.918 5.785 -7.230 1.00 0.00 O ATOM 1022 CB ARG A 63 -10.333 2.842 -8.364 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.024 1.712 -9.332 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.295 1.056 -9.847 1.00 0.00 C ATOM 1025 NE ARG A 63 -11.026 0.123 -10.938 1.00 0.00 N ATOM 1026 CZ ARG A 63 -10.786 0.504 -12.188 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -10.781 1.792 -12.502 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -10.550 -0.404 -13.126 1.00 0.00 N ATOM 0 H ARG A 63 -8.410 2.042 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.696 4.161 -8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.809 2.428 -7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.053 3.518 -8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.447 2.099 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.404 0.966 -8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.786 0.527 -9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.987 1.825 -10.190 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.022 -0.875 -10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.962 2.493 -11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.596 2.082 -13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.553 -1.396 -12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.366 -0.110 -14.085 1.00 0.00 H new ATOM 1042 N ARG A 64 -9.336 4.321 -5.624 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.673 5.222 -4.528 1.00 0.00 C ATOM 1044 C ARG A 64 -8.486 5.399 -3.585 1.00 0.00 C ATOM 1045 O ARG A 64 -8.183 6.512 -3.156 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.879 4.687 -3.753 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.729 5.777 -3.121 1.00 0.00 C ATOM 1048 CD ARG A 64 -13.162 5.315 -2.912 1.00 0.00 C ATOM 1049 NE ARG A 64 -13.333 4.615 -1.642 1.00 0.00 N ATOM 1050 CZ ARG A 64 -14.324 3.765 -1.399 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -15.227 3.509 -2.334 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -14.411 3.167 -0.217 1.00 0.00 N ATOM 0 H ARG A 64 -8.981 3.411 -5.329 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.925 6.194 -4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.501 4.098 -4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.528 4.013 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.296 6.068 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.720 6.662 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.829 6.177 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.453 4.657 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.654 4.788 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -15.162 3.965 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.987 2.856 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.717 3.360 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -15.172 2.514 -0.031 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.820 4.294 -3.267 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.667 4.328 -2.377 1.00 0.00 C ATOM 1068 C ILE A 65 -5.489 5.043 -3.029 1.00 0.00 C ATOM 1069 O ILE A 65 -4.976 6.030 -2.499 1.00 0.00 O ATOM 1070 CB ILE A 65 -6.229 2.909 -1.968 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -7.324 2.233 -1.140 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.924 2.961 -1.189 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.830 1.050 -0.336 1.00 0.00 C ATOM 0 H ILE A 65 -8.059 3.365 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.973 4.876 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.067 2.320 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.760 2.966 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.120 1.902 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.628 1.951 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.147 3.407 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.060 3.563 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.659 0.620 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.420 0.298 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.054 1.379 0.356 1.00 0.00 H new ATOM 1085 N LEU A 66 -5.065 4.541 -4.184 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.947 5.132 -4.911 1.00 0.00 C ATOM 1087 C LEU A 66 -4.085 6.650 -4.980 1.00 0.00 C ATOM 1088 O LEU A 66 -3.184 7.398 -4.600 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.868 4.551 -6.324 1.00 0.00 C ATOM 1090 CG LEU A 66 -3.091 5.379 -7.348 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.640 5.533 -6.920 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -3.177 4.740 -8.726 1.00 0.00 C ATOM 0 H LEU A 66 -5.479 3.726 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.029 4.893 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.412 3.563 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.883 4.411 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.540 6.371 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.103 6.125 -7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.597 6.035 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.178 4.549 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.618 5.343 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.754 3.736 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.220 4.683 -9.036 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.241 7.117 -5.475 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.525 8.550 -5.603 1.00 0.00 C ATOM 1106 C PRO A 67 -5.718 9.226 -4.250 1.00 0.00 C ATOM 1107 O PRO A 67 -5.809 10.450 -4.165 1.00 0.00 O ATOM 1108 CB PRO A 67 -6.827 8.582 -6.408 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.478 7.272 -6.128 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.359 6.284 -5.948 1.00 0.00 C ATOM 0 HA PRO A 67 -4.703 9.088 -6.074 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.462 9.413 -6.101 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.631 8.707 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.097 7.327 -5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.131 6.977 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.618 5.511 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.116 5.778 -6.882 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.779 8.420 -3.195 1.00 0.00 N ATOM 1119 CA ASP A 68 -5.959 8.941 -1.845 1.00 0.00 C ATOM 1120 C ASP A 68 -4.612 9.233 -1.191 1.00 0.00 C ATOM 1121 O ASP A 68 -4.412 10.298 -0.608 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.749 7.947 -0.993 1.00 0.00 C ATOM 1123 CG ASP A 68 -6.936 8.426 0.433 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -7.110 9.647 0.631 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -6.909 7.581 1.351 1.00 0.00 O ATOM 0 H ASP A 68 -5.706 7.404 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.519 9.874 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.725 7.779 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.232 6.988 -0.986 1.00 0.00 H new