USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 516 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 60 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.7!) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 38 ASN : amide:sc= -0.303 K(o=0.062,f=-3.4!) USER MOD Set 2.2: A 39 SER OG : rot 47:sc= 0.365 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0494 X(o=-0.049,f=-0.26) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-0.3) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= -0.246 (180deg=-1.15!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.556 K(o=-0.56,f=-4.7!) USER MOD Single : A 57 SER OG : rot 160:sc= 0.719 USER MOD Single : A 59 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.2!) USER MOD Single : A 63 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.69) USER MOD Single : A 64 GLN : amide:sc= -7.14! C(o=-7.1!,f=-4.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.920 -16.965 -0.538 1.00 0.00 N ATOM 143 CA HIS A 11 -0.827 -15.588 -0.069 1.00 0.00 C ATOM 144 C HIS A 11 0.571 -15.276 0.455 1.00 0.00 C ATOM 145 O HIS A 11 1.245 -16.141 1.014 1.00 0.00 O ATOM 146 CB HIS A 11 -1.859 -15.328 1.031 1.00 0.00 C ATOM 147 CG HIS A 11 -3.140 -16.082 0.848 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.622 -16.920 1.823 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.996 -16.086 -0.203 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.752 -17.413 1.350 1.00 0.00 C ATOM 151 NE2 HIS A 11 -5.020 -16.938 0.125 1.00 0.00 N ATOM 0 HA HIS A 11 -1.032 -14.935 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.425 -15.596 1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.078 -14.261 1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.892 -15.527 -1.121 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.381 -18.111 1.883 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -5.830 -17.166 -0.452 1.00 0.00 H new ATOM 159 N ILE A 12 0.993 -14.028 0.277 1.00 0.00 N ATOM 160 CA ILE A 12 2.304 -13.581 0.736 1.00 0.00 C ATOM 161 C ILE A 12 2.357 -13.574 2.263 1.00 0.00 C ATOM 162 O ILE A 12 1.365 -13.252 2.920 1.00 0.00 O ATOM 163 CB ILE A 12 2.621 -12.158 0.197 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.050 -12.066 -0.344 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.391 -11.092 1.262 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.118 -12.313 0.694 1.00 0.00 C ATOM 0 H ILE A 12 0.442 -13.304 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 12 3.051 -14.276 0.353 1.00 0.00 H new ATOM 0 HB ILE A 12 1.932 -11.972 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.169 -12.789 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.200 -11.077 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.623 -10.110 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.349 -11.115 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.037 -11.288 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.101 -12.230 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.028 -11.575 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.996 -13.313 1.110 1.00 0.00 H new ATOM 178 N SER A 13 3.513 -13.919 2.825 1.00 0.00 N ATOM 179 CA SER A 13 3.677 -13.925 4.272 1.00 0.00 C ATOM 180 C SER A 13 3.182 -12.603 4.845 1.00 0.00 C ATOM 181 O SER A 13 2.278 -12.571 5.680 1.00 0.00 O ATOM 182 CB SER A 13 5.144 -14.141 4.647 1.00 0.00 C ATOM 183 OG SER A 13 5.354 -15.440 5.171 1.00 0.00 O ATOM 0 H SER A 13 4.344 -14.196 2.302 1.00 0.00 H new ATOM 0 HA SER A 13 3.092 -14.744 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.772 -13.995 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.447 -13.396 5.383 1.00 0.00 H new ATOM 0 HG SER A 13 6.300 -15.551 5.401 1.00 0.00 H new ATOM 189 N LYS A 14 3.774 -11.510 4.368 1.00 0.00 N ATOM 190 CA LYS A 14 3.388 -10.172 4.806 1.00 0.00 C ATOM 191 C LYS A 14 3.770 -9.126 3.762 1.00 0.00 C ATOM 192 O LYS A 14 4.808 -9.232 3.110 1.00 0.00 O ATOM 193 CB LYS A 14 4.037 -9.817 6.147 1.00 0.00 C ATOM 194 CG LYS A 14 4.991 -10.873 6.682 1.00 0.00 C ATOM 195 CD LYS A 14 5.445 -10.545 8.094 1.00 0.00 C ATOM 196 CE LYS A 14 6.610 -9.569 8.091 1.00 0.00 C ATOM 197 NZ LYS A 14 6.990 -9.152 9.469 1.00 0.00 N ATOM 0 H LYS A 14 4.524 -11.526 3.677 1.00 0.00 H new ATOM 0 HA LYS A 14 2.305 -10.173 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.579 -8.878 6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.251 -9.648 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.501 -11.847 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.859 -10.947 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.613 -10.119 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.738 -11.462 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.468 -10.030 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.344 -8.689 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.788 -8.487 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.179 -8.689 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.268 -9.989 10.021 1.00 0.00 H new ATOM 211 N TYR A 15 2.926 -8.109 3.625 1.00 0.00 N ATOM 212 CA TYR A 15 3.164 -7.025 2.678 1.00 0.00 C ATOM 213 C TYR A 15 3.525 -5.749 3.430 1.00 0.00 C ATOM 214 O TYR A 15 2.899 -5.423 4.432 1.00 0.00 O ATOM 215 CB TYR A 15 1.916 -6.775 1.825 1.00 0.00 C ATOM 216 CG TYR A 15 1.803 -7.660 0.601 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.882 -7.846 -0.254 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.608 -8.300 0.298 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.773 -8.647 -1.376 1.00 0.00 C ATOM 220 CE2 TYR A 15 0.492 -9.102 -0.823 1.00 0.00 C ATOM 221 CZ TYR A 15 1.576 -9.272 -1.656 1.00 0.00 C ATOM 222 OH TYR A 15 1.464 -10.068 -2.772 1.00 0.00 O ATOM 0 H TYR A 15 2.064 -8.013 4.162 1.00 0.00 H new ATOM 0 HA TYR A 15 3.989 -7.311 2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.032 -6.921 2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.913 -5.733 1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.821 -7.357 -0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.244 -8.169 0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.622 -8.783 -2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.444 -9.593 -1.044 1.00 0.00 H new ATOM 0 HH TYR A 15 0.556 -10.434 -2.823 1.00 0.00 H new ATOM 232 N ILE A 16 4.529 -5.025 2.950 1.00 0.00 N ATOM 233 CA ILE A 16 4.946 -3.795 3.607 1.00 0.00 C ATOM 234 C ILE A 16 4.664 -2.583 2.730 1.00 0.00 C ATOM 235 O ILE A 16 5.032 -2.545 1.555 1.00 0.00 O ATOM 236 CB ILE A 16 6.447 -3.842 3.983 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.600 -4.126 5.480 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.163 -2.548 3.605 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.352 -2.918 6.365 1.00 0.00 C ATOM 0 H ILE A 16 5.064 -5.266 2.116 1.00 0.00 H new ATOM 0 HA ILE A 16 4.364 -3.702 4.524 1.00 0.00 H new ATOM 0 HB ILE A 16 6.913 -4.648 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.907 -4.919 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.606 -4.501 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.214 -2.619 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.083 -2.389 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.703 -1.711 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.479 -3.200 7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.062 -2.130 6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.336 -2.555 6.209 1.00 0.00 H new ATOM 251 N LEU A 17 4.010 -1.591 3.320 1.00 0.00 N ATOM 252 CA LEU A 17 3.676 -0.366 2.615 1.00 0.00 C ATOM 253 C LEU A 17 4.496 0.791 3.163 1.00 0.00 C ATOM 254 O LEU A 17 4.347 1.174 4.323 1.00 0.00 O ATOM 255 CB LEU A 17 2.184 -0.063 2.755 1.00 0.00 C ATOM 256 CG LEU A 17 1.513 0.479 1.493 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.205 -0.251 1.229 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.269 1.975 1.622 1.00 0.00 C ATOM 0 H LEU A 17 3.700 -1.614 4.291 1.00 0.00 H new ATOM 0 HA LEU A 17 3.909 -0.496 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.670 -0.975 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.050 0.661 3.559 1.00 0.00 H new ATOM 0 HG LEU A 17 2.180 0.308 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.259 0.148 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.402 -1.315 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.467 -0.110 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.791 2.345 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.621 2.166 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.220 2.488 1.766 1.00 0.00 H new ATOM 270 N ARG A 18 5.364 1.341 2.326 1.00 0.00 N ATOM 271 CA ARG A 18 6.209 2.452 2.737 1.00 0.00 C ATOM 272 C ARG A 18 6.026 3.642 1.809 1.00 0.00 C ATOM 273 O ARG A 18 6.097 3.502 0.591 1.00 0.00 O ATOM 274 CB ARG A 18 7.679 2.023 2.767 1.00 0.00 C ATOM 275 CG ARG A 18 7.911 0.615 2.243 1.00 0.00 C ATOM 276 CD ARG A 18 9.165 -0.006 2.836 1.00 0.00 C ATOM 277 NE ARG A 18 9.143 0.004 4.298 1.00 0.00 N ATOM 278 CZ ARG A 18 10.146 -0.428 5.055 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.246 -0.913 4.493 1.00 0.00 N ATOM 280 NH2 ARG A 18 10.050 -0.377 6.376 1.00 0.00 N ATOM 0 H ARG A 18 5.501 1.037 1.362 1.00 0.00 H new ATOM 0 HA ARG A 18 5.911 2.752 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.266 2.724 2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.047 2.086 3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.049 -0.008 2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.996 0.640 1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.263 -1.032 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.041 0.538 2.483 1.00 0.00 H new ATOM 0 HE ARG A 18 8.310 0.363 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.324 -0.955 3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.014 -1.244 5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.206 -0.006 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.820 -0.709 6.957 1.00 0.00 H new ATOM 294 N TRP A 19 5.784 4.813 2.390 1.00 0.00 N ATOM 295 CA TRP A 19 5.585 6.023 1.600 1.00 0.00 C ATOM 296 C TRP A 19 6.022 7.272 2.362 1.00 0.00 C ATOM 297 O TRP A 19 6.137 7.261 3.587 1.00 0.00 O ATOM 298 CB TRP A 19 4.118 6.149 1.185 1.00 0.00 C ATOM 299 CG TRP A 19 3.224 6.619 2.291 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.770 7.891 2.490 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.675 5.827 3.350 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.975 7.938 3.609 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.900 6.683 4.154 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.764 4.475 3.695 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.219 6.231 5.281 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.089 4.028 4.815 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.324 4.904 5.596 1.00 0.00 C ATOM 0 H TRP A 19 5.721 4.950 3.399 1.00 0.00 H new ATOM 0 HA TRP A 19 6.207 5.941 0.708 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.043 6.843 0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.765 5.181 0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.002 8.737 1.860 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.515 8.772 3.975 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.350 3.792 3.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.629 6.904 5.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.152 2.986 5.093 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.807 4.524 6.464 1.00 0.00 H new ATOM 318 N ARG A 20 6.259 8.347 1.616 1.00 0.00 N ATOM 319 CA ARG A 20 6.680 9.617 2.194 1.00 0.00 C ATOM 320 C ARG A 20 6.388 10.762 1.223 1.00 0.00 C ATOM 321 O ARG A 20 6.201 10.530 0.029 1.00 0.00 O ATOM 322 CB ARG A 20 8.173 9.574 2.524 1.00 0.00 C ATOM 323 CG ARG A 20 9.050 9.266 1.322 1.00 0.00 C ATOM 324 CD ARG A 20 10.366 10.023 1.384 1.00 0.00 C ATOM 325 NE ARG A 20 11.145 9.871 0.156 1.00 0.00 N ATOM 326 CZ ARG A 20 11.628 10.893 -0.544 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.419 12.139 -0.137 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.324 10.671 -1.650 1.00 0.00 N ATOM 0 H ARG A 20 6.165 8.362 0.600 1.00 0.00 H new ATOM 0 HA ARG A 20 6.120 9.787 3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.472 10.534 2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.346 8.821 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.247 8.195 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.520 9.530 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.168 11.080 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.951 9.664 2.231 1.00 0.00 H new ATOM 0 HE ARG A 20 11.328 8.927 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.887 12.315 0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.791 12.921 -0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.490 9.715 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.694 11.456 -2.186 1.00 0.00 H new ATOM 342 N PRO A 21 6.349 12.015 1.714 1.00 0.00 N ATOM 343 CA PRO A 21 6.081 13.180 0.863 1.00 0.00 C ATOM 344 C PRO A 21 7.093 13.297 -0.272 1.00 0.00 C ATOM 345 O PRO A 21 8.268 13.584 -0.046 1.00 0.00 O ATOM 346 CB PRO A 21 6.200 14.375 1.819 1.00 0.00 C ATOM 347 CG PRO A 21 6.907 13.854 3.025 1.00 0.00 C ATOM 348 CD PRO A 21 6.557 12.399 3.120 1.00 0.00 C ATOM 0 HA PRO A 21 5.106 13.115 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.758 15.191 1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.217 14.768 2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.985 13.990 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.593 14.389 3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.357 11.821 3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.661 12.238 3.719 1.00 0.00 H new ATOM 356 N LYS A 22 6.624 13.056 -1.492 1.00 0.00 N ATOM 357 CA LYS A 22 7.478 13.113 -2.674 1.00 0.00 C ATOM 358 C LYS A 22 8.044 14.513 -2.895 1.00 0.00 C ATOM 359 O LYS A 22 9.241 14.675 -3.135 1.00 0.00 O ATOM 360 CB LYS A 22 6.690 12.672 -3.910 1.00 0.00 C ATOM 361 CG LYS A 22 7.568 12.222 -5.064 1.00 0.00 C ATOM 362 CD LYS A 22 7.040 12.733 -6.394 1.00 0.00 C ATOM 363 CE LYS A 22 6.338 11.634 -7.175 1.00 0.00 C ATOM 364 NZ LYS A 22 5.619 12.169 -8.364 1.00 0.00 N ATOM 0 H LYS A 22 5.652 12.818 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 22 8.316 12.435 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.023 11.856 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.062 13.498 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.585 12.583 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.616 11.133 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.347 13.556 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.865 13.131 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.070 10.893 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.630 11.121 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.154 11.388 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.903 12.857 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.297 12.636 -8.999 1.00 0.00 H new ATOM 378 N ASN A 23 7.178 15.520 -2.831 1.00 0.00 N ATOM 379 CA ASN A 23 7.598 16.903 -3.046 1.00 0.00 C ATOM 380 C ASN A 23 7.887 17.619 -1.729 1.00 0.00 C ATOM 381 O ASN A 23 8.826 18.411 -1.640 1.00 0.00 O ATOM 382 CB ASN A 23 6.523 17.664 -3.822 1.00 0.00 C ATOM 383 CG ASN A 23 6.987 18.067 -5.208 1.00 0.00 C ATOM 384 OD1 ASN A 23 8.114 18.530 -5.387 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.120 17.893 -6.196 1.00 0.00 N ATOM 0 H ASN A 23 6.184 15.406 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 23 8.521 16.880 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.631 17.043 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.238 18.556 -3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.377 18.146 -7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.196 17.506 -6.002 1.00 0.00 H new ATOM 392 N SER A 24 7.073 17.352 -0.714 1.00 0.00 N ATOM 393 CA SER A 24 7.244 17.990 0.588 1.00 0.00 C ATOM 394 C SER A 24 8.273 17.263 1.445 1.00 0.00 C ATOM 395 O SER A 24 8.860 16.266 1.026 1.00 0.00 O ATOM 396 CB SER A 24 5.914 18.050 1.328 1.00 0.00 C ATOM 397 OG SER A 24 5.741 19.303 1.966 1.00 0.00 O ATOM 0 H SER A 24 6.290 16.700 -0.766 1.00 0.00 H new ATOM 0 HA SER A 24 7.608 19.001 0.407 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.097 17.879 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.870 17.252 2.069 1.00 0.00 H new ATOM 0 HG SER A 24 4.879 19.316 2.432 1.00 0.00 H new ATOM 403 N VAL A 25 8.479 17.779 2.654 1.00 0.00 N ATOM 404 CA VAL A 25 9.430 17.198 3.592 1.00 0.00 C ATOM 405 C VAL A 25 8.712 16.333 4.625 1.00 0.00 C ATOM 406 O VAL A 25 7.606 16.656 5.061 1.00 0.00 O ATOM 407 CB VAL A 25 10.237 18.296 4.317 1.00 0.00 C ATOM 408 CG1 VAL A 25 9.305 19.275 5.016 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.218 17.684 5.306 1.00 0.00 C ATOM 0 H VAL A 25 7.995 18.605 3.007 1.00 0.00 H new ATOM 0 HA VAL A 25 10.117 16.576 3.017 1.00 0.00 H new ATOM 0 HB VAL A 25 10.810 18.845 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.894 20.041 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.653 19.745 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.700 18.741 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.775 18.477 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.671 17.103 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.912 17.033 4.775 1.00 0.00 H new ATOM 419 N GLY A 26 9.348 15.231 5.012 1.00 0.00 N ATOM 420 CA GLY A 26 8.759 14.334 5.988 1.00 0.00 C ATOM 421 C GLY A 26 9.605 13.098 6.211 1.00 0.00 C ATOM 422 O GLY A 26 10.817 13.123 5.995 1.00 0.00 O ATOM 0 H GLY A 26 10.263 14.944 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.632 14.861 6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.765 14.037 5.653 1.00 0.00 H new ATOM 426 N ARG A 27 8.970 12.015 6.646 1.00 0.00 N ATOM 427 CA ARG A 27 9.682 10.767 6.898 1.00 0.00 C ATOM 428 C ARG A 27 8.914 9.575 6.338 1.00 0.00 C ATOM 429 O ARG A 27 7.722 9.671 6.048 1.00 0.00 O ATOM 430 CB ARG A 27 9.916 10.581 8.397 1.00 0.00 C ATOM 431 CG ARG A 27 10.504 11.806 9.077 1.00 0.00 C ATOM 432 CD ARG A 27 10.262 11.780 10.578 1.00 0.00 C ATOM 433 NE ARG A 27 11.253 12.567 11.307 1.00 0.00 N ATOM 434 CZ ARG A 27 11.925 12.116 12.362 1.00 0.00 C ATOM 435 NH1 ARG A 27 11.735 10.877 12.800 1.00 0.00 N ATOM 436 NH2 ARG A 27 12.796 12.903 12.979 1.00 0.00 N ATOM 0 H ARG A 27 7.968 11.976 6.831 1.00 0.00 H new ATOM 0 HA ARG A 27 10.646 10.822 6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.970 10.329 8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.586 9.734 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.575 11.853 8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.062 12.707 8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.265 12.166 10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.287 10.749 10.931 1.00 0.00 H new ATOM 0 HE ARG A 27 11.440 13.518 10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.070 10.265 12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.254 10.537 13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.950 13.854 12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.312 12.557 13.788 1.00 0.00 H new ATOM 450 N TRP A 28 9.609 8.452 6.191 1.00 0.00 N ATOM 451 CA TRP A 28 8.999 7.235 5.666 1.00 0.00 C ATOM 452 C TRP A 28 7.956 6.685 6.632 1.00 0.00 C ATOM 453 O TRP A 28 8.000 6.956 7.832 1.00 0.00 O ATOM 454 CB TRP A 28 10.070 6.175 5.408 1.00 0.00 C ATOM 455 CG TRP A 28 10.822 6.384 4.130 1.00 0.00 C ATOM 456 CD1 TRP A 28 12.119 6.790 4.001 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.326 6.195 2.799 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.460 6.869 2.672 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.376 6.508 1.915 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.097 5.793 2.269 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.233 6.430 0.531 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.956 5.715 0.896 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.018 6.032 0.041 1.00 0.00 C ATOM 0 H TRP A 28 10.597 8.359 6.428 1.00 0.00 H new ATOM 0 HA TRP A 28 8.505 7.485 4.727 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.775 6.173 6.239 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.599 5.192 5.387 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.781 7.016 4.824 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.371 7.150 2.309 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.272 5.547 2.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.051 6.675 -0.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.011 5.404 0.476 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.876 5.961 -1.027 1.00 0.00 H new ATOM 474 N LYS A 29 7.028 5.898 6.101 1.00 0.00 N ATOM 475 CA LYS A 29 5.979 5.289 6.908 1.00 0.00 C ATOM 476 C LYS A 29 5.874 3.809 6.572 1.00 0.00 C ATOM 477 O LYS A 29 5.927 3.438 5.403 1.00 0.00 O ATOM 478 CB LYS A 29 4.638 5.984 6.658 1.00 0.00 C ATOM 479 CG LYS A 29 4.717 7.502 6.716 1.00 0.00 C ATOM 480 CD LYS A 29 3.851 8.060 7.834 1.00 0.00 C ATOM 481 CE LYS A 29 4.099 9.546 8.046 1.00 0.00 C ATOM 482 NZ LYS A 29 3.685 9.986 9.406 1.00 0.00 N ATOM 0 H LYS A 29 6.981 5.666 5.109 1.00 0.00 H new ATOM 0 HA LYS A 29 6.232 5.402 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.261 5.686 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.916 5.638 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.752 7.808 6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.397 7.921 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.800 7.896 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.057 7.521 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.157 9.762 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.551 10.117 7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.869 11.004 9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.670 9.803 9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.226 9.459 10.121 1.00 0.00 H new ATOM 496 N GLU A 30 5.751 2.967 7.594 1.00 0.00 N ATOM 497 CA GLU A 30 5.670 1.524 7.380 1.00 0.00 C ATOM 498 C GLU A 30 4.363 0.941 7.912 1.00 0.00 C ATOM 499 O GLU A 30 4.007 1.135 9.074 1.00 0.00 O ATOM 500 CB GLU A 30 6.853 0.823 8.055 1.00 0.00 C ATOM 501 CG GLU A 30 8.090 1.698 8.195 1.00 0.00 C ATOM 502 CD GLU A 30 8.296 2.201 9.612 1.00 0.00 C ATOM 503 OE1 GLU A 30 7.533 1.782 10.508 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.220 3.013 9.825 1.00 0.00 O ATOM 0 H GLU A 30 5.705 3.255 8.571 1.00 0.00 H new ATOM 0 HA GLU A 30 5.703 1.354 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.546 0.484 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.112 -0.066 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.968 1.131 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.005 2.550 7.520 1.00 0.00 H new ATOM 511 N ALA A 31 3.666 0.210 7.047 1.00 0.00 N ATOM 512 CA ALA A 31 2.406 -0.431 7.406 1.00 0.00 C ATOM 513 C ALA A 31 2.314 -1.810 6.757 1.00 0.00 C ATOM 514 O ALA A 31 2.211 -1.921 5.535 1.00 0.00 O ATOM 515 CB ALA A 31 1.228 0.435 6.980 1.00 0.00 C ATOM 0 H ALA A 31 3.957 0.046 6.083 1.00 0.00 H new ATOM 0 HA ALA A 31 2.372 -0.551 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.296 -0.058 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.288 1.402 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.256 0.582 5.900 1.00 0.00 H new ATOM 521 N THR A 32 2.365 -2.859 7.574 1.00 0.00 N ATOM 522 CA THR A 32 2.302 -4.224 7.061 1.00 0.00 C ATOM 523 C THR A 32 0.871 -4.748 7.011 1.00 0.00 C ATOM 524 O THR A 32 0.101 -4.586 7.958 1.00 0.00 O ATOM 525 CB THR A 32 3.161 -5.190 7.902 1.00 0.00 C ATOM 526 OG1 THR A 32 4.192 -4.465 8.584 1.00 0.00 O ATOM 527 CG2 THR A 32 3.787 -6.264 7.020 1.00 0.00 C ATOM 0 H THR A 32 2.449 -2.791 8.588 1.00 0.00 H new ATOM 0 HA THR A 32 2.699 -4.183 6.047 1.00 0.00 H new ATOM 0 HB THR A 32 2.514 -5.673 8.634 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.731 -5.086 9.117 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.389 -6.934 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.000 -6.833 6.526 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.421 -5.794 6.268 1.00 0.00 H new ATOM 535 N ILE A 33 0.529 -5.387 5.896 1.00 0.00 N ATOM 536 CA ILE A 33 -0.797 -5.956 5.702 1.00 0.00 C ATOM 537 C ILE A 33 -0.694 -7.451 5.403 1.00 0.00 C ATOM 538 O ILE A 33 -0.257 -7.842 4.321 1.00 0.00 O ATOM 539 CB ILE A 33 -1.544 -5.258 4.547 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.348 -3.743 4.626 1.00 0.00 C ATOM 541 CG2 ILE A 33 -3.024 -5.607 4.583 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.810 -3.136 3.348 1.00 0.00 C ATOM 0 H ILE A 33 1.161 -5.523 5.107 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.358 -5.803 6.624 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.131 -5.612 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.301 -3.274 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.664 -3.515 5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.536 -5.106 3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.146 -6.686 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.452 -5.280 5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.696 -2.060 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.159 -3.578 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.505 -3.333 2.531 1.00 0.00 H new ATOM 554 N PRO A 34 -1.080 -8.308 6.366 1.00 0.00 N ATOM 555 CA PRO A 34 -1.014 -9.767 6.206 1.00 0.00 C ATOM 556 C PRO A 34 -1.751 -10.267 4.964 1.00 0.00 C ATOM 557 O PRO A 34 -2.932 -10.609 5.028 1.00 0.00 O ATOM 558 CB PRO A 34 -1.687 -10.297 7.475 1.00 0.00 C ATOM 559 CG PRO A 34 -1.527 -9.204 8.474 1.00 0.00 C ATOM 560 CD PRO A 34 -1.595 -7.922 7.695 1.00 0.00 C ATOM 0 HA PRO A 34 0.013 -10.107 6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.739 -10.523 7.300 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.216 -11.218 7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.313 -9.245 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.576 -9.292 9.000 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.614 -7.540 7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.987 -7.141 8.151 1.00 0.00 H new ATOM 568 N GLY A 35 -1.036 -10.315 3.841 1.00 0.00 N ATOM 569 CA GLY A 35 -1.620 -10.782 2.593 1.00 0.00 C ATOM 570 C GLY A 35 -2.977 -10.170 2.305 1.00 0.00 C ATOM 571 O GLY A 35 -3.825 -10.800 1.673 1.00 0.00 O ATOM 0 H GLY A 35 -0.057 -10.037 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.942 -10.549 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.718 -11.867 2.628 1.00 0.00 H new ATOM 575 N HIS A 36 -3.182 -8.941 2.768 1.00 0.00 N ATOM 576 CA HIS A 36 -4.446 -8.240 2.558 1.00 0.00 C ATOM 577 C HIS A 36 -5.629 -9.080 3.035 1.00 0.00 C ATOM 578 O HIS A 36 -6.395 -9.606 2.227 1.00 0.00 O ATOM 579 CB HIS A 36 -4.620 -7.890 1.077 1.00 0.00 C ATOM 580 CG HIS A 36 -4.769 -6.422 0.814 1.00 0.00 C ATOM 581 ND1 HIS A 36 -4.569 -5.897 -0.439 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.098 -5.419 1.666 1.00 0.00 C ATOM 583 CE1 HIS A 36 -4.779 -4.597 -0.325 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.102 -4.261 0.933 1.00 0.00 N ATOM 0 H HIS A 36 -2.488 -8.408 3.292 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.420 -7.321 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.759 -8.263 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.497 -8.409 0.692 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.315 -5.515 2.720 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.700 -3.894 -1.141 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.310 -3.324 1.278 1.00 0.00 H new ATOM 592 N LEU A 37 -5.772 -9.201 4.351 1.00 0.00 N ATOM 593 CA LEU A 37 -6.864 -9.975 4.933 1.00 0.00 C ATOM 594 C LEU A 37 -8.204 -9.287 4.698 1.00 0.00 C ATOM 595 O LEU A 37 -9.235 -9.945 4.556 1.00 0.00 O ATOM 596 CB LEU A 37 -6.637 -10.169 6.432 1.00 0.00 C ATOM 597 CG LEU A 37 -6.367 -8.884 7.214 1.00 0.00 C ATOM 598 CD1 LEU A 37 -7.202 -8.845 8.485 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.887 -8.761 7.541 1.00 0.00 C ATOM 0 H LEU A 37 -5.147 -8.774 5.034 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.884 -10.950 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.513 -10.658 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.795 -10.846 6.572 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.653 -8.036 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.996 -7.923 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.260 -8.885 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.949 -9.700 9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.713 -7.840 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.575 -9.614 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.311 -8.740 6.616 1.00 0.00 H new ATOM 611 N ASN A 38 -8.181 -7.958 4.658 1.00 0.00 N ATOM 612 CA ASN A 38 -9.393 -7.177 4.440 1.00 0.00 C ATOM 613 C ASN A 38 -9.087 -5.913 3.643 1.00 0.00 C ATOM 614 O ASN A 38 -8.018 -5.790 3.045 1.00 0.00 O ATOM 615 CB ASN A 38 -10.035 -6.810 5.780 1.00 0.00 C ATOM 616 CG ASN A 38 -9.207 -5.811 6.566 1.00 0.00 C ATOM 617 OD1 ASN A 38 -8.211 -6.169 7.195 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.617 -4.549 6.533 1.00 0.00 N ATOM 0 H ASN A 38 -7.335 -7.400 4.774 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.092 -7.785 3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.027 -6.395 5.602 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.169 -7.714 6.375 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.101 -3.832 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.448 -4.297 5.999 1.00 0.00 H new ATOM 625 N SER A 39 -10.030 -4.976 3.635 1.00 0.00 N ATOM 626 CA SER A 39 -9.856 -3.724 2.907 1.00 0.00 C ATOM 627 C SER A 39 -8.950 -2.770 3.677 1.00 0.00 C ATOM 628 O SER A 39 -9.357 -2.187 4.682 1.00 0.00 O ATOM 629 CB SER A 39 -11.211 -3.063 2.647 1.00 0.00 C ATOM 630 OG SER A 39 -11.959 -2.934 3.845 1.00 0.00 O ATOM 0 H SER A 39 -10.921 -5.060 4.124 1.00 0.00 H new ATOM 0 HA SER A 39 -9.385 -3.953 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.059 -2.079 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.774 -3.655 1.926 1.00 0.00 H new ATOM 0 HG SER A 39 -11.387 -2.563 4.549 1.00 0.00 H new ATOM 636 N TYR A 40 -7.718 -2.614 3.199 1.00 0.00 N ATOM 637 CA TYR A 40 -6.754 -1.728 3.843 1.00 0.00 C ATOM 638 C TYR A 40 -6.253 -0.666 2.869 1.00 0.00 C ATOM 639 O TYR A 40 -5.404 -0.938 2.022 1.00 0.00 O ATOM 640 CB TYR A 40 -5.570 -2.532 4.392 1.00 0.00 C ATOM 641 CG TYR A 40 -4.896 -1.885 5.584 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.438 -0.573 5.523 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.718 -2.586 6.771 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.824 0.021 6.608 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.104 -1.997 7.861 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.660 -0.695 7.775 1.00 0.00 C ATOM 647 OH TYR A 40 -3.049 -0.106 8.859 1.00 0.00 O ATOM 0 H TYR A 40 -7.365 -3.089 2.369 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.259 -1.229 4.670 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.917 -3.525 4.677 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.835 -2.667 3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.565 -0.009 4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.065 -3.606 6.843 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.474 1.041 6.543 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.973 -2.555 8.776 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.013 -0.745 9.601 1.00 0.00 H new ATOM 657 N THR A 41 -6.781 0.547 3.003 1.00 0.00 N ATOM 658 CA THR A 41 -6.383 1.654 2.142 1.00 0.00 C ATOM 659 C THR A 41 -5.979 2.868 2.971 1.00 0.00 C ATOM 660 O THR A 41 -6.572 3.142 4.014 1.00 0.00 O ATOM 661 CB THR A 41 -7.513 2.058 1.174 1.00 0.00 C ATOM 662 OG1 THR A 41 -7.171 3.277 0.503 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.829 2.235 1.918 1.00 0.00 C ATOM 0 H THR A 41 -7.486 0.788 3.700 1.00 0.00 H new ATOM 0 HA THR A 41 -5.529 1.310 1.558 1.00 0.00 H new ATOM 0 HB THR A 41 -7.634 1.261 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.893 3.526 -0.111 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.610 2.520 1.213 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.102 1.298 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.719 3.015 2.672 1.00 0.00 H new ATOM 671 N ILE A 42 -4.965 3.588 2.503 1.00 0.00 N ATOM 672 CA ILE A 42 -4.482 4.771 3.205 1.00 0.00 C ATOM 673 C ILE A 42 -5.347 5.988 2.888 1.00 0.00 C ATOM 674 O ILE A 42 -5.415 6.430 1.741 1.00 0.00 O ATOM 675 CB ILE A 42 -3.019 5.084 2.842 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.092 3.993 3.385 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.613 6.451 3.381 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.062 3.912 4.896 1.00 0.00 C ATOM 0 H ILE A 42 -4.462 3.373 1.642 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.542 4.553 4.271 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.929 5.106 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.408 3.029 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.081 4.174 3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.576 6.654 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.256 7.218 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.717 6.460 4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.384 3.116 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.717 4.862 5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.064 3.699 5.269 1.00 0.00 H new ATOM 690 N LYS A 43 -6.000 6.528 3.912 1.00 0.00 N ATOM 691 CA LYS A 43 -6.857 7.697 3.739 1.00 0.00 C ATOM 692 C LYS A 43 -6.643 8.700 4.866 1.00 0.00 C ATOM 693 O LYS A 43 -6.587 8.329 6.039 1.00 0.00 O ATOM 694 CB LYS A 43 -8.325 7.277 3.684 1.00 0.00 C ATOM 695 CG LYS A 43 -8.997 7.599 2.360 1.00 0.00 C ATOM 696 CD LYS A 43 -10.288 8.373 2.564 1.00 0.00 C ATOM 697 CE LYS A 43 -11.444 7.449 2.913 1.00 0.00 C ATOM 698 NZ LYS A 43 -11.605 6.361 1.910 1.00 0.00 N ATOM 0 H LYS A 43 -5.953 6.176 4.868 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.590 8.175 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.395 6.205 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.867 7.774 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.317 8.181 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.207 6.674 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.153 9.104 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.527 8.929 1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.276 7.013 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.366 8.027 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.617 6.177 1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.166 6.649 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.145 5.496 2.259 1.00 0.00 H new ATOM 712 N GLY A 44 -6.526 9.973 4.502 1.00 0.00 N ATOM 713 CA GLY A 44 -6.318 11.014 5.492 1.00 0.00 C ATOM 714 C GLY A 44 -5.140 11.904 5.152 1.00 0.00 C ATOM 715 O GLY A 44 -4.625 12.621 6.011 1.00 0.00 O ATOM 0 H GLY A 44 -6.572 10.303 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.219 11.622 5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.155 10.557 6.468 1.00 0.00 H new ATOM 719 N LEU A 45 -4.711 11.859 3.893 1.00 0.00 N ATOM 720 CA LEU A 45 -3.585 12.665 3.437 1.00 0.00 C ATOM 721 C LEU A 45 -4.003 14.123 3.251 1.00 0.00 C ATOM 722 O LEU A 45 -4.816 14.643 4.016 1.00 0.00 O ATOM 723 CB LEU A 45 -3.019 12.094 2.132 1.00 0.00 C ATOM 724 CG LEU A 45 -2.670 10.606 2.181 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.654 10.011 0.783 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.328 10.397 2.866 1.00 0.00 C ATOM 0 H LEU A 45 -5.128 11.272 3.171 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.805 12.632 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.745 12.256 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.123 12.654 1.865 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.438 10.093 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.404 8.952 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.637 10.127 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.910 10.527 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.095 9.333 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.551 10.925 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.375 10.783 3.884 1.00 0.00 H new ATOM 738 N LYS A 46 -3.449 14.779 2.234 1.00 0.00 N ATOM 739 CA LYS A 46 -3.772 16.169 1.958 1.00 0.00 C ATOM 740 C LYS A 46 -3.728 16.453 0.458 1.00 0.00 C ATOM 741 O LYS A 46 -2.703 16.242 -0.191 1.00 0.00 O ATOM 742 CB LYS A 46 -2.808 17.100 2.694 1.00 0.00 C ATOM 743 CG LYS A 46 -2.996 18.568 2.342 1.00 0.00 C ATOM 744 CD LYS A 46 -4.059 19.220 3.201 1.00 0.00 C ATOM 745 CE LYS A 46 -3.449 20.183 4.208 1.00 0.00 C ATOM 746 NZ LYS A 46 -4.444 20.628 5.224 1.00 0.00 N ATOM 0 H LYS A 46 -2.774 14.367 1.590 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.785 16.355 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.941 16.972 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.784 16.807 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.051 19.096 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.272 18.658 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.764 19.755 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.625 18.451 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.609 19.701 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.051 21.052 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.989 21.283 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.233 21.111 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.805 19.801 5.742 1.00 0.00 H new ATOM 760 N PRO A 47 -4.844 16.945 -0.114 1.00 0.00 N ATOM 761 CA PRO A 47 -4.920 17.263 -1.542 1.00 0.00 C ATOM 762 C PRO A 47 -4.014 18.432 -1.912 1.00 0.00 C ATOM 763 O PRO A 47 -4.415 19.594 -1.843 1.00 0.00 O ATOM 764 CB PRO A 47 -6.391 17.625 -1.755 1.00 0.00 C ATOM 765 CG PRO A 47 -6.880 18.050 -0.413 1.00 0.00 C ATOM 766 CD PRO A 47 -6.109 17.235 0.585 1.00 0.00 C ATOM 0 HA PRO A 47 -4.588 16.434 -2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.499 18.426 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.957 16.772 -2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.715 19.116 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.951 17.876 -0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.940 17.787 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.639 16.321 0.852 1.00 0.00 H new ATOM 774 N GLY A 48 -2.784 18.107 -2.292 1.00 0.00 N ATOM 775 CA GLY A 48 -1.814 19.122 -2.659 1.00 0.00 C ATOM 776 C GLY A 48 -0.397 18.606 -2.525 1.00 0.00 C ATOM 777 O GLY A 48 0.523 19.102 -3.176 1.00 0.00 O ATOM 0 H GLY A 48 -2.439 17.149 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.991 19.442 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.945 19.999 -2.025 1.00 0.00 H new ATOM 781 N VAL A 49 -0.234 17.594 -1.680 1.00 0.00 N ATOM 782 CA VAL A 49 1.065 16.975 -1.447 1.00 0.00 C ATOM 783 C VAL A 49 1.031 15.515 -1.868 1.00 0.00 C ATOM 784 O VAL A 49 0.332 14.709 -1.261 1.00 0.00 O ATOM 785 CB VAL A 49 1.474 17.053 0.036 1.00 0.00 C ATOM 786 CG1 VAL A 49 2.799 17.776 0.187 1.00 0.00 C ATOM 787 CG2 VAL A 49 0.390 17.729 0.865 1.00 0.00 C ATOM 0 H VAL A 49 -0.995 17.182 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 49 1.797 17.523 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 49 1.595 16.036 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.071 17.821 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.571 17.239 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.708 18.788 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.703 17.772 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.226 18.741 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.536 17.159 0.787 1.00 0.00 H new ATOM 797 N VAL A 50 1.783 15.175 -2.909 1.00 0.00 N ATOM 798 CA VAL A 50 1.813 13.804 -3.404 1.00 0.00 C ATOM 799 C VAL A 50 2.653 12.908 -2.504 1.00 0.00 C ATOM 800 O VAL A 50 3.789 13.240 -2.164 1.00 0.00 O ATOM 801 CB VAL A 50 2.368 13.740 -4.842 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.746 12.312 -5.215 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.358 14.306 -5.827 1.00 0.00 C ATOM 0 H VAL A 50 2.377 15.826 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 50 0.784 13.445 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 50 3.271 14.349 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.135 12.293 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.509 11.946 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.865 11.674 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.765 14.253 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.436 13.726 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.147 15.345 -5.575 1.00 0.00 H new ATOM 813 N TYR A 51 2.085 11.765 -2.126 1.00 0.00 N ATOM 814 CA TYR A 51 2.778 10.814 -1.272 1.00 0.00 C ATOM 815 C TYR A 51 3.242 9.609 -2.084 1.00 0.00 C ATOM 816 O TYR A 51 2.436 8.774 -2.492 1.00 0.00 O ATOM 817 CB TYR A 51 1.867 10.365 -0.129 1.00 0.00 C ATOM 818 CG TYR A 51 1.768 11.372 0.996 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.867 12.428 0.933 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.577 11.266 2.121 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.777 13.350 1.958 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.492 12.184 3.149 1.00 0.00 C ATOM 823 CZ TYR A 51 1.592 13.225 3.063 1.00 0.00 C ATOM 824 OH TYR A 51 1.504 14.142 4.086 1.00 0.00 O ATOM 0 H TYR A 51 1.145 11.478 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 51 3.654 11.304 -0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.869 10.174 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.237 9.421 0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.227 12.530 0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.284 10.452 2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.071 14.165 1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.128 12.087 4.017 1.00 0.00 H new ATOM 0 HH TYR A 51 2.146 13.910 4.789 1.00 0.00 H new ATOM 834 N GLU A 52 4.547 9.533 -2.320 1.00 0.00 N ATOM 835 CA GLU A 52 5.133 8.440 -3.087 1.00 0.00 C ATOM 836 C GLU A 52 5.445 7.253 -2.182 1.00 0.00 C ATOM 837 O GLU A 52 6.069 7.410 -1.133 1.00 0.00 O ATOM 838 CB GLU A 52 6.404 8.930 -3.797 1.00 0.00 C ATOM 839 CG GLU A 52 7.552 7.929 -3.799 1.00 0.00 C ATOM 840 CD GLU A 52 7.413 6.881 -4.884 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.192 7.262 -6.052 1.00 0.00 O ATOM 842 OE2 GLU A 52 7.524 5.678 -4.565 1.00 0.00 O ATOM 0 H GLU A 52 5.223 10.221 -1.988 1.00 0.00 H new ATOM 0 HA GLU A 52 4.414 8.109 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.155 9.180 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.741 9.849 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.493 8.462 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.601 7.436 -2.828 1.00 0.00 H new ATOM 849 N GLY A 53 5.008 6.066 -2.593 1.00 0.00 N ATOM 850 CA GLY A 53 5.252 4.877 -1.802 1.00 0.00 C ATOM 851 C GLY A 53 5.374 3.620 -2.639 1.00 0.00 C ATOM 852 O GLY A 53 4.910 3.575 -3.776 1.00 0.00 O ATOM 0 H GLY A 53 4.491 5.908 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.167 5.013 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.440 4.752 -1.086 1.00 0.00 H new ATOM 856 N GLN A 54 5.996 2.597 -2.066 1.00 0.00 N ATOM 857 CA GLN A 54 6.178 1.322 -2.750 1.00 0.00 C ATOM 858 C GLN A 54 5.791 0.170 -1.829 1.00 0.00 C ATOM 859 O GLN A 54 5.978 0.247 -0.615 1.00 0.00 O ATOM 860 CB GLN A 54 7.629 1.162 -3.208 1.00 0.00 C ATOM 861 CG GLN A 54 8.612 2.016 -2.423 1.00 0.00 C ATOM 862 CD GLN A 54 10.056 1.689 -2.749 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.533 0.589 -2.471 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.760 2.645 -3.343 1.00 0.00 N ATOM 0 H GLN A 54 6.385 2.626 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 54 5.532 1.306 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.917 0.115 -3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.699 1.421 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.424 3.068 -2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.442 1.871 -1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.324 3.542 -3.555 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.737 2.482 -3.587 1.00 0.00 H new ATOM 873 N LEU A 55 5.250 -0.895 -2.409 1.00 0.00 N ATOM 874 CA LEU A 55 4.839 -2.054 -1.627 1.00 0.00 C ATOM 875 C LEU A 55 5.855 -3.181 -1.738 1.00 0.00 C ATOM 876 O LEU A 55 5.933 -3.853 -2.764 1.00 0.00 O ATOM 877 CB LEU A 55 3.475 -2.552 -2.097 1.00 0.00 C ATOM 878 CG LEU A 55 2.617 -3.184 -1.003 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.252 -2.526 -0.960 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.484 -4.681 -1.225 1.00 0.00 C ATOM 0 H LEU A 55 5.087 -0.980 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 55 4.775 -1.745 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.928 -1.716 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.624 -3.283 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 55 3.108 -3.026 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.651 -2.986 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.367 -1.462 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.755 -2.656 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.869 -5.113 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.015 -4.865 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.472 -5.141 -1.208 1.00 0.00 H new ATOM 892 N ILE A 56 6.618 -3.396 -0.673 1.00 0.00 N ATOM 893 CA ILE A 56 7.618 -4.458 -0.654 1.00 0.00 C ATOM 894 C ILE A 56 7.018 -5.734 -0.074 1.00 0.00 C ATOM 895 O ILE A 56 6.468 -5.724 1.026 1.00 0.00 O ATOM 896 CB ILE A 56 8.865 -4.067 0.176 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.633 -2.907 -0.479 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.781 -5.272 0.340 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.895 -1.584 -0.448 1.00 0.00 C ATOM 0 H ILE A 56 6.564 -2.851 0.187 1.00 0.00 H new ATOM 0 HA ILE A 56 7.930 -4.622 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 56 8.526 -3.734 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.592 -2.788 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.849 -3.167 -1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.655 -4.987 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.244 -6.070 0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.100 -5.623 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.502 -0.817 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.948 -1.683 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.703 -1.299 0.586 1.00 0.00 H new ATOM 911 N SER A 57 7.132 -6.833 -0.810 1.00 0.00 N ATOM 912 CA SER A 57 6.602 -8.107 -0.349 1.00 0.00 C ATOM 913 C SER A 57 7.654 -8.856 0.438 1.00 0.00 C ATOM 914 O SER A 57 8.819 -8.917 0.048 1.00 0.00 O ATOM 915 CB SER A 57 6.114 -8.960 -1.515 1.00 0.00 C ATOM 916 OG SER A 57 7.047 -9.976 -1.835 1.00 0.00 O ATOM 0 H SER A 57 7.584 -6.866 -1.724 1.00 0.00 H new ATOM 0 HA SER A 57 5.749 -7.901 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.155 -9.411 -1.262 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.949 -8.327 -2.387 1.00 0.00 H new ATOM 0 HG SER A 57 6.598 -10.685 -2.341 1.00 0.00 H new ATOM 922 N ILE A 58 7.237 -9.409 1.556 1.00 0.00 N ATOM 923 CA ILE A 58 8.146 -10.145 2.422 1.00 0.00 C ATOM 924 C ILE A 58 7.795 -11.626 2.515 1.00 0.00 C ATOM 925 O ILE A 58 6.810 -12.005 3.150 1.00 0.00 O ATOM 926 CB ILE A 58 8.177 -9.551 3.842 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.411 -8.042 3.785 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.257 -10.228 4.675 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.176 -7.346 5.108 1.00 0.00 C ATOM 0 H ILE A 58 6.275 -9.366 1.891 1.00 0.00 H new ATOM 0 HA ILE A 58 9.131 -10.051 1.964 1.00 0.00 H new ATOM 0 HB ILE A 58 7.212 -9.731 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.434 -7.853 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.752 -7.608 3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.267 -9.798 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.050 -11.296 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.228 -10.075 4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.360 -6.278 4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.145 -7.505 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.853 -7.753 5.859 1.00 0.00 H new ATOM 941 N GLN A 59 8.634 -12.455 1.908 1.00 0.00 N ATOM 942 CA GLN A 59 8.455 -13.899 1.940 1.00 0.00 C ATOM 943 C GLN A 59 9.400 -14.500 2.970 1.00 0.00 C ATOM 944 O GLN A 59 10.095 -13.773 3.681 1.00 0.00 O ATOM 945 CB GLN A 59 8.730 -14.518 0.567 1.00 0.00 C ATOM 946 CG GLN A 59 7.594 -14.340 -0.426 1.00 0.00 C ATOM 947 CD GLN A 59 6.594 -15.480 -0.382 1.00 0.00 C ATOM 948 OE1 GLN A 59 5.681 -15.488 0.443 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.763 -16.449 -1.273 1.00 0.00 N ATOM 0 H GLN A 59 9.453 -12.147 1.383 1.00 0.00 H new ATOM 0 HA GLN A 59 7.421 -14.115 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.635 -14.073 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.927 -15.583 0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.079 -13.402 -0.218 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.005 -14.262 -1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.534 -16.401 -1.939 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.121 -17.242 -1.292 1.00 0.00 H new ATOM 958 N GLN A 60 9.429 -15.821 3.048 1.00 0.00 N ATOM 959 CA GLN A 60 10.302 -16.504 3.992 1.00 0.00 C ATOM 960 C GLN A 60 11.769 -16.180 3.707 1.00 0.00 C ATOM 961 O GLN A 60 12.643 -16.440 4.534 1.00 0.00 O ATOM 962 CB GLN A 60 10.077 -18.014 3.922 1.00 0.00 C ATOM 963 CG GLN A 60 10.075 -18.561 2.503 1.00 0.00 C ATOM 964 CD GLN A 60 10.348 -20.052 2.452 1.00 0.00 C ATOM 965 OE1 GLN A 60 10.920 -20.623 3.382 1.00 0.00 O ATOM 966 NE2 GLN A 60 9.938 -20.690 1.363 1.00 0.00 N ATOM 0 H GLN A 60 8.860 -16.441 2.471 1.00 0.00 H new ATOM 0 HA GLN A 60 10.060 -16.154 4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.856 -18.517 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.126 -18.254 4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.110 -18.356 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.828 -18.037 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.468 -20.176 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.093 -21.694 1.272 1.00 0.00 H new ATOM 975 N TYR A 61 12.033 -15.615 2.526 1.00 0.00 N ATOM 976 CA TYR A 61 13.396 -15.263 2.129 1.00 0.00 C ATOM 977 C TYR A 61 13.659 -13.760 2.254 1.00 0.00 C ATOM 978 O TYR A 61 14.786 -13.305 2.052 1.00 0.00 O ATOM 979 CB TYR A 61 13.661 -15.710 0.689 1.00 0.00 C ATOM 980 CG TYR A 61 13.350 -17.168 0.427 1.00 0.00 C ATOM 981 CD1 TYR A 61 14.041 -18.179 1.088 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.369 -17.534 -0.485 1.00 0.00 C ATOM 983 CE1 TYR A 61 13.760 -19.511 0.845 1.00 0.00 C ATOM 984 CE2 TYR A 61 12.083 -18.863 -0.733 1.00 0.00 C ATOM 985 CZ TYR A 61 12.781 -19.847 -0.066 1.00 0.00 C ATOM 986 OH TYR A 61 12.501 -21.172 -0.311 1.00 0.00 O ATOM 0 H TYR A 61 11.321 -15.392 1.830 1.00 0.00 H new ATOM 0 HA TYR A 61 14.074 -15.781 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.065 -15.096 0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.708 -15.524 0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 61 14.809 -17.919 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.820 -16.766 -1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.305 -20.284 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.317 -19.129 -1.446 1.00 0.00 H new ATOM 0 HH TYR A 61 11.786 -21.237 -0.978 1.00 0.00 H new ATOM 996 N GLY A 62 12.623 -12.991 2.586 1.00 0.00 N ATOM 997 CA GLY A 62 12.785 -11.550 2.726 1.00 0.00 C ATOM 998 C GLY A 62 12.030 -10.765 1.665 1.00 0.00 C ATOM 999 O GLY A 62 11.029 -11.237 1.132 1.00 0.00 O ATOM 0 H GLY A 62 11.679 -13.336 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.438 -11.244 3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.845 -11.301 2.670 1.00 0.00 H new ATOM 1003 N HIS A 63 12.511 -9.560 1.361 1.00 0.00 N ATOM 1004 CA HIS A 63 11.874 -8.705 0.357 1.00 0.00 C ATOM 1005 C HIS A 63 11.901 -9.370 -1.016 1.00 0.00 C ATOM 1006 O HIS A 63 12.887 -10.012 -1.380 1.00 0.00 O ATOM 1007 CB HIS A 63 12.576 -7.347 0.287 1.00 0.00 C ATOM 1008 CG HIS A 63 13.126 -6.885 1.600 1.00 0.00 C ATOM 1009 ND1 HIS A 63 12.357 -6.883 2.739 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.365 -6.425 1.902 1.00 0.00 C ATOM 1011 CE1 HIS A 63 13.137 -6.426 3.701 1.00 0.00 C ATOM 1012 NE2 HIS A 63 14.364 -6.135 3.243 1.00 0.00 N ATOM 0 H HIS A 63 13.339 -9.153 1.795 1.00 0.00 H new ATOM 0 HA HIS A 63 10.836 -8.554 0.653 1.00 0.00 H new ATOM 0 HB2 HIS A 63 13.389 -7.405 -0.437 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.871 -6.603 -0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.193 -6.309 1.219 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.826 -6.302 4.728 1.00 0.00 H new ATOM 0 HE2 HIS A 63 15.145 -5.769 3.787 1.00 0.00 H new ATOM 1020 N GLN A 64 10.815 -9.220 -1.778 1.00 0.00 N ATOM 1021 CA GLN A 64 10.739 -9.823 -3.107 1.00 0.00 C ATOM 1022 C GLN A 64 9.960 -8.955 -4.099 1.00 0.00 C ATOM 1023 O GLN A 64 10.487 -8.575 -5.145 1.00 0.00 O ATOM 1024 CB GLN A 64 10.091 -11.212 -3.043 1.00 0.00 C ATOM 1025 CG GLN A 64 10.005 -11.802 -1.644 1.00 0.00 C ATOM 1026 CD GLN A 64 10.768 -13.106 -1.516 1.00 0.00 C ATOM 1027 OE1 GLN A 64 10.385 -14.123 -2.093 1.00 0.00 O ATOM 1028 NE2 GLN A 64 11.855 -13.083 -0.754 1.00 0.00 N ATOM 0 H GLN A 64 9.987 -8.693 -1.501 1.00 0.00 H new ATOM 0 HA GLN A 64 11.766 -9.910 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.086 -11.150 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.658 -11.893 -3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.398 -11.083 -0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.959 -11.970 -1.388 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.137 -12.218 -0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.408 -13.931 -0.629 1.00 0.00 H new ATOM 1037 N GLU A 65 8.694 -8.680 -3.790 1.00 0.00 N ATOM 1038 CA GLU A 65 7.840 -7.899 -4.687 1.00 0.00 C ATOM 1039 C GLU A 65 7.707 -6.440 -4.256 1.00 0.00 C ATOM 1040 O GLU A 65 7.109 -6.143 -3.228 1.00 0.00 O ATOM 1041 CB GLU A 65 6.452 -8.537 -4.734 1.00 0.00 C ATOM 1042 CG GLU A 65 5.874 -8.647 -6.136 1.00 0.00 C ATOM 1043 CD GLU A 65 4.382 -8.913 -6.132 1.00 0.00 C ATOM 1044 OE1 GLU A 65 3.614 -7.986 -5.800 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.981 -10.049 -6.462 1.00 0.00 O ATOM 0 H GLU A 65 8.237 -8.984 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 65 8.309 -7.904 -5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.505 -9.533 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.772 -7.951 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.073 -7.724 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.381 -9.449 -6.672 1.00 0.00 H new ATOM 1052 N VAL A 66 8.230 -5.527 -5.070 1.00 0.00 N ATOM 1053 CA VAL A 66 8.128 -4.105 -4.765 1.00 0.00 C ATOM 1054 C VAL A 66 7.752 -3.281 -5.992 1.00 0.00 C ATOM 1055 O VAL A 66 8.339 -3.434 -7.064 1.00 0.00 O ATOM 1056 CB VAL A 66 9.425 -3.562 -4.139 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.640 -3.946 -4.960 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.348 -2.053 -3.955 1.00 0.00 C ATOM 0 H VAL A 66 8.723 -5.744 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 66 7.326 -4.006 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 66 9.534 -4.020 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.538 -3.546 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.712 -5.032 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.544 -3.536 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.276 -1.693 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.200 -1.575 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.513 -1.809 -3.298 1.00 0.00 H new ATOM 1068 N THR A 67 6.766 -2.401 -5.819 1.00 0.00 N ATOM 1069 CA THR A 67 6.300 -1.538 -6.900 1.00 0.00 C ATOM 1070 C THR A 67 6.067 -0.114 -6.396 1.00 0.00 C ATOM 1071 O THR A 67 5.328 0.100 -5.435 1.00 0.00 O ATOM 1072 CB THR A 67 4.994 -2.074 -7.526 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.221 -3.364 -8.104 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.469 -1.122 -8.592 1.00 0.00 C ATOM 0 H THR A 67 6.274 -2.268 -4.936 1.00 0.00 H new ATOM 0 HA THR A 67 7.079 -1.530 -7.663 1.00 0.00 H new ATOM 0 HB THR A 67 4.248 -2.155 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.388 -3.697 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.549 -1.523 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.268 -0.149 -8.144 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.214 -1.011 -9.380 1.00 0.00 H new ATOM 1082 N ARG A 68 6.705 0.855 -7.048 1.00 0.00 N ATOM 1083 CA ARG A 68 6.571 2.258 -6.663 1.00 0.00 C ATOM 1084 C ARG A 68 5.333 2.887 -7.299 1.00 0.00 C ATOM 1085 O ARG A 68 4.991 2.587 -8.443 1.00 0.00 O ATOM 1086 CB ARG A 68 7.822 3.036 -7.068 1.00 0.00 C ATOM 1087 CG ARG A 68 9.107 2.242 -6.896 1.00 0.00 C ATOM 1088 CD ARG A 68 9.864 2.100 -8.208 1.00 0.00 C ATOM 1089 NE ARG A 68 8.976 2.137 -9.368 1.00 0.00 N ATOM 1090 CZ ARG A 68 9.299 2.704 -10.525 1.00 0.00 C ATOM 1091 NH1 ARG A 68 10.484 3.279 -10.679 1.00 0.00 N ATOM 1092 NH2 ARG A 68 8.437 2.695 -11.533 1.00 0.00 N ATOM 0 H ARG A 68 7.320 0.695 -7.846 1.00 0.00 H new ATOM 0 HA ARG A 68 6.456 2.303 -5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.729 3.342 -8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.884 3.947 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.743 2.735 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.873 1.253 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.598 2.901 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.417 1.160 -8.206 1.00 0.00 H new ATOM 0 HE ARG A 68 8.057 1.703 -9.285 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.151 3.287 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.728 3.713 -11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.525 2.252 -11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.686 3.131 -12.421 1.00 0.00 H new ATOM 1106 N PHE A 69 4.660 3.755 -6.547 1.00 0.00 N ATOM 1107 CA PHE A 69 3.454 4.420 -7.033 1.00 0.00 C ATOM 1108 C PHE A 69 3.206 5.735 -6.296 1.00 0.00 C ATOM 1109 O PHE A 69 3.694 5.935 -5.186 1.00 0.00 O ATOM 1110 CB PHE A 69 2.241 3.502 -6.864 1.00 0.00 C ATOM 1111 CG PHE A 69 2.225 2.765 -5.552 1.00 0.00 C ATOM 1112 CD1 PHE A 69 1.973 3.437 -4.366 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.465 1.400 -5.506 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.961 2.762 -3.159 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.454 0.720 -4.303 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.201 1.402 -3.127 1.00 0.00 C ATOM 0 H PHE A 69 4.930 4.014 -5.598 1.00 0.00 H new ATOM 0 HA PHE A 69 3.601 4.642 -8.090 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.331 4.096 -6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.227 2.778 -7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.784 4.500 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.663 0.862 -6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.764 3.298 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.643 -0.343 -4.281 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.191 0.873 -2.186 1.00 0.00 H new ATOM 1126 N ASP A 70 2.420 6.614 -6.913 1.00 0.00 N ATOM 1127 CA ASP A 70 2.077 7.896 -6.311 1.00 0.00 C ATOM 1128 C ASP A 70 0.612 7.871 -5.912 1.00 0.00 C ATOM 1129 O ASP A 70 -0.231 7.396 -6.675 1.00 0.00 O ATOM 1130 CB ASP A 70 2.339 9.041 -7.291 1.00 0.00 C ATOM 1131 CG ASP A 70 1.806 8.746 -8.680 1.00 0.00 C ATOM 1132 OD1 ASP A 70 2.483 8.017 -9.434 1.00 0.00 O ATOM 1133 OD2 ASP A 70 0.711 9.246 -9.013 1.00 0.00 O ATOM 0 H ASP A 70 2.008 6.459 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 70 2.698 8.060 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.876 9.952 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.411 9.228 -7.348 1.00 0.00 H new ATOM 1138 N PHE A 71 0.296 8.352 -4.716 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.084 8.331 -4.264 1.00 0.00 C ATOM 1140 C PHE A 71 -1.390 9.459 -3.285 1.00 0.00 C ATOM 1141 O PHE A 71 -0.572 9.801 -2.426 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.386 6.973 -3.628 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.020 6.889 -2.171 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.307 6.805 -1.777 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.004 6.896 -1.197 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.644 6.728 -0.439 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.673 6.819 0.142 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.348 6.735 0.521 1.00 0.00 C ATOM 0 H PHE A 71 0.962 8.753 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.725 8.486 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.449 6.759 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.846 6.199 -4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.086 6.800 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.042 6.962 -1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.681 6.662 -0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.450 6.825 0.892 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.088 6.675 1.567 1.00 0.00 H new ATOM 1158 N THR A 72 -2.582 10.025 -3.425 1.00 0.00 N ATOM 1159 CA THR A 72 -3.030 11.102 -2.560 1.00 0.00 C ATOM 1160 C THR A 72 -4.548 11.104 -2.429 1.00 0.00 C ATOM 1161 O THR A 72 -5.248 10.446 -3.198 1.00 0.00 O ATOM 1162 CB THR A 72 -2.559 12.465 -3.079 1.00 0.00 C ATOM 1163 OG1 THR A 72 -1.591 12.283 -4.118 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.949 13.274 -1.953 1.00 0.00 C ATOM 0 H THR A 72 -3.259 9.751 -4.137 1.00 0.00 H new ATOM 0 HA THR A 72 -2.590 10.930 -1.578 1.00 0.00 H new ATOM 0 HB THR A 72 -3.420 13.003 -3.476 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.295 13.158 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.619 14.240 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.693 13.429 -1.172 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.095 12.737 -1.540 1.00 0.00 H new