USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=17 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 22 LYS NZ :NH3+ -156:sc= 0.456 (180deg=0) USER MOD Set 1.2: A 23 ASN : amide:sc= 0.332 K(o=0.79,f=-5.2!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.666) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 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= -0.103 X(o=-0.1,f=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -1.24 F(o=-3.7!,f=-1.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0.142 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+ 161:sc= 0 (180deg=-0.226) 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= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 57 SER OG : rot -30:sc= -1.32! USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0628 F(o=-1!,f=-0.063) USER MOD Single : A 60 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.355 K(o=-0.35,f=-1.3) USER MOD Single : A 64 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.542 -16.659 0.726 1.00 0.00 N ATOM 143 CA HIS A 11 0.614 -16.705 -0.167 1.00 0.00 C ATOM 144 C HIS A 11 1.870 -16.183 0.528 1.00 0.00 C ATOM 145 O HIS A 11 2.637 -16.957 1.100 1.00 0.00 O ATOM 146 CB HIS A 11 0.342 -15.900 -1.441 1.00 0.00 C ATOM 147 CG HIS A 11 -0.211 -16.725 -2.561 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.549 -16.701 -2.876 1.00 0.00 N ATOM 149 CD2 HIS A 11 0.427 -17.572 -3.405 1.00 0.00 C ATOM 150 CE1 HIS A 11 -1.695 -17.527 -3.896 1.00 0.00 C ATOM 151 NE2 HIS A 11 -0.525 -18.080 -4.252 1.00 0.00 N ATOM 0 HA HIS A 11 0.784 -17.747 -0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.358 -15.097 -1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.269 -15.430 -1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.482 -17.803 -3.410 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.637 -17.732 -4.382 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.373 -18.749 -5.007 1.00 0.00 H new ATOM 159 N ILE A 12 2.076 -14.869 0.476 1.00 0.00 N ATOM 160 CA ILE A 12 3.239 -14.253 1.104 1.00 0.00 C ATOM 161 C ILE A 12 3.046 -14.133 2.611 1.00 0.00 C ATOM 162 O ILE A 12 1.922 -13.993 3.093 1.00 0.00 O ATOM 163 CB ILE A 12 3.520 -12.853 0.518 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.768 -12.240 1.156 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.322 -11.938 0.720 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.682 -11.568 0.160 1.00 0.00 C ATOM 0 H ILE A 12 1.453 -14.212 0.006 1.00 0.00 H new ATOM 0 HA ILE A 12 4.092 -14.900 0.899 1.00 0.00 H new ATOM 0 HB ILE A 12 3.697 -12.963 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.463 -11.511 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.322 -13.021 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.539 -10.956 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.452 -12.362 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.115 -11.839 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.546 -11.155 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.017 -12.298 -0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.144 -10.765 -0.343 1.00 0.00 H new ATOM 178 N SER A 13 4.149 -14.183 3.351 1.00 0.00 N ATOM 179 CA SER A 13 4.100 -14.074 4.802 1.00 0.00 C ATOM 180 C SER A 13 3.409 -12.781 5.220 1.00 0.00 C ATOM 181 O SER A 13 2.507 -12.791 6.057 1.00 0.00 O ATOM 182 CB SER A 13 5.512 -14.129 5.388 1.00 0.00 C ATOM 183 OG SER A 13 5.537 -14.884 6.587 1.00 0.00 O ATOM 0 H SER A 13 5.087 -14.298 2.968 1.00 0.00 H new ATOM 0 HA SER A 13 3.526 -14.915 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.194 -14.571 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.868 -13.117 5.584 1.00 0.00 H new ATOM 0 HG SER A 13 6.451 -14.906 6.941 1.00 0.00 H new ATOM 189 N LYS A 14 3.834 -11.669 4.626 1.00 0.00 N ATOM 190 CA LYS A 14 3.247 -10.369 4.932 1.00 0.00 C ATOM 191 C LYS A 14 3.656 -9.324 3.896 1.00 0.00 C ATOM 192 O LYS A 14 4.768 -9.360 3.368 1.00 0.00 O ATOM 193 CB LYS A 14 3.661 -9.910 6.333 1.00 0.00 C ATOM 194 CG LYS A 14 5.105 -10.231 6.680 1.00 0.00 C ATOM 195 CD LYS A 14 5.971 -8.982 6.675 1.00 0.00 C ATOM 196 CE LYS A 14 7.082 -9.069 7.709 1.00 0.00 C ATOM 197 NZ LYS A 14 8.038 -10.169 7.406 1.00 0.00 N ATOM 0 H LYS A 14 4.581 -11.643 3.932 1.00 0.00 H new ATOM 0 HA LYS A 14 2.163 -10.476 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.508 -8.834 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.007 -10.380 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.148 -10.701 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.500 -10.952 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.405 -8.843 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.352 -8.108 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.619 -8.121 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.648 -9.227 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.012 -10.872 8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.771 -10.624 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.999 -9.781 7.325 1.00 0.00 H new ATOM 211 N TYR A 15 2.747 -8.394 3.615 1.00 0.00 N ATOM 212 CA TYR A 15 3.003 -7.334 2.645 1.00 0.00 C ATOM 213 C TYR A 15 3.336 -6.029 3.360 1.00 0.00 C ATOM 214 O TYR A 15 2.764 -5.719 4.401 1.00 0.00 O ATOM 215 CB TYR A 15 1.780 -7.135 1.744 1.00 0.00 C ATOM 216 CG TYR A 15 1.999 -7.560 0.309 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.779 -6.797 -0.549 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.420 -8.721 -0.188 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.979 -7.179 -1.862 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.615 -9.109 -1.500 1.00 0.00 C ATOM 221 CZ TYR A 15 2.394 -8.335 -2.332 1.00 0.00 C ATOM 222 OH TYR A 15 2.591 -8.718 -3.639 1.00 0.00 O ATOM 0 H TYR A 15 1.824 -8.353 4.047 1.00 0.00 H new ATOM 0 HA TYR A 15 3.854 -7.626 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.943 -7.698 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.496 -6.083 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.237 -5.890 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.808 -9.330 0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.590 -6.575 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.159 -10.015 -1.871 1.00 0.00 H new ATOM 0 HH TYR A 15 2.111 -9.555 -3.810 1.00 0.00 H new ATOM 232 N ILE A 16 4.274 -5.274 2.803 1.00 0.00 N ATOM 233 CA ILE A 16 4.689 -4.012 3.394 1.00 0.00 C ATOM 234 C ILE A 16 4.342 -2.834 2.487 1.00 0.00 C ATOM 235 O ILE A 16 4.453 -2.923 1.264 1.00 0.00 O ATOM 236 CB ILE A 16 6.206 -4.025 3.688 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.446 -4.151 5.195 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.902 -2.794 3.125 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.242 -2.859 5.966 1.00 0.00 C ATOM 0 H ILE A 16 4.762 -5.516 1.941 1.00 0.00 H new ATOM 0 HA ILE A 16 4.146 -3.891 4.332 1.00 0.00 H new ATOM 0 HB ILE A 16 6.639 -4.891 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.775 -4.911 5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.464 -4.504 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.967 -2.842 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.764 -2.760 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.475 -1.897 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.431 -3.034 7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.931 -2.101 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.217 -2.514 5.833 1.00 0.00 H new ATOM 251 N LEU A 17 3.931 -1.730 3.102 1.00 0.00 N ATOM 252 CA LEU A 17 3.578 -0.527 2.362 1.00 0.00 C ATOM 253 C LEU A 17 4.354 0.671 2.894 1.00 0.00 C ATOM 254 O LEU A 17 4.181 1.072 4.045 1.00 0.00 O ATOM 255 CB LEU A 17 2.077 -0.260 2.464 1.00 0.00 C ATOM 256 CG LEU A 17 1.445 0.353 1.213 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.132 -0.340 0.887 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.229 1.848 1.402 1.00 0.00 C ATOM 0 H LEU A 17 3.834 -1.645 4.114 1.00 0.00 H new ATOM 0 HA LEU A 17 3.839 -0.680 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.570 -1.199 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.898 0.407 3.308 1.00 0.00 H new ATOM 0 HG LEU A 17 2.127 0.209 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.304 0.108 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.314 -1.400 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.557 -0.226 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.779 2.267 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.566 2.015 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.187 2.333 1.588 1.00 0.00 H new ATOM 270 N ARG A 18 5.213 1.234 2.053 1.00 0.00 N ATOM 271 CA ARG A 18 6.018 2.382 2.449 1.00 0.00 C ATOM 272 C ARG A 18 5.750 3.576 1.544 1.00 0.00 C ATOM 273 O ARG A 18 5.638 3.431 0.330 1.00 0.00 O ATOM 274 CB ARG A 18 7.509 2.029 2.421 1.00 0.00 C ATOM 275 CG ARG A 18 7.789 0.574 2.083 1.00 0.00 C ATOM 276 CD ARG A 18 8.787 -0.042 3.050 1.00 0.00 C ATOM 277 NE ARG A 18 10.167 0.182 2.629 1.00 0.00 N ATOM 278 CZ ARG A 18 11.196 -0.534 3.073 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.000 -1.513 3.945 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.424 -0.271 2.643 1.00 0.00 N ATOM 0 H ARG A 18 5.370 0.916 1.097 1.00 0.00 H new ATOM 0 HA ARG A 18 5.737 2.651 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.010 2.665 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.945 2.257 3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.858 0.008 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.175 0.504 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.638 0.381 4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.601 -1.113 3.129 1.00 0.00 H new ATOM 0 HE ARG A 18 10.352 0.928 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.058 -1.719 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.791 -2.060 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.579 0.481 1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.213 -0.821 2.984 1.00 0.00 H new ATOM 294 N TRP A 19 5.647 4.759 2.144 1.00 0.00 N ATOM 295 CA TRP A 19 5.392 5.974 1.379 1.00 0.00 C ATOM 296 C TRP A 19 5.867 7.215 2.129 1.00 0.00 C ATOM 297 O TRP A 19 6.042 7.190 3.347 1.00 0.00 O ATOM 298 CB TRP A 19 3.903 6.092 1.043 1.00 0.00 C ATOM 299 CG TRP A 19 3.040 6.428 2.223 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.515 7.650 2.529 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.599 5.532 3.250 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.774 7.570 3.684 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.811 6.280 4.145 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.793 4.171 3.501 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.218 5.713 5.270 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.203 3.609 4.618 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.424 4.380 5.491 1.00 0.00 C ATOM 0 H TRP A 19 5.736 4.901 3.150 1.00 0.00 H new ATOM 0 HA TRP A 19 5.959 5.907 0.450 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.772 6.859 0.279 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.562 5.151 0.612 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.661 8.549 1.948 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.278 8.344 4.126 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.393 3.569 2.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.617 6.305 5.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.345 2.558 4.821 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.977 3.912 6.356 1.00 0.00 H new ATOM 318 N ARG A 20 6.076 8.297 1.384 1.00 0.00 N ATOM 319 CA ARG A 20 6.535 9.558 1.960 1.00 0.00 C ATOM 320 C ARG A 20 6.189 10.726 1.037 1.00 0.00 C ATOM 321 O ARG A 20 5.998 10.535 -0.164 1.00 0.00 O ATOM 322 CB ARG A 20 8.048 9.512 2.193 1.00 0.00 C ATOM 323 CG ARG A 20 8.864 9.612 0.913 1.00 0.00 C ATOM 324 CD ARG A 20 10.162 10.370 1.134 1.00 0.00 C ATOM 325 NE ARG A 20 10.185 11.642 0.416 1.00 0.00 N ATOM 326 CZ ARG A 20 11.105 11.965 -0.489 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.071 11.108 -0.795 1.00 0.00 N ATOM 328 NH2 ARG A 20 11.058 13.146 -1.090 1.00 0.00 N ATOM 0 H ARG A 20 5.934 8.326 0.374 1.00 0.00 H new ATOM 0 HA ARG A 20 6.030 9.704 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.330 10.328 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.301 8.583 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.085 8.611 0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.276 10.113 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.297 10.553 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.001 9.755 0.808 1.00 0.00 H new ATOM 0 HE ARG A 20 9.453 12.322 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.110 10.198 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.775 11.359 -1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.316 13.807 -0.858 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.763 13.394 -1.784 1.00 0.00 H new ATOM 342 N PRO A 21 6.107 11.956 1.579 1.00 0.00 N ATOM 343 CA PRO A 21 5.787 13.143 0.781 1.00 0.00 C ATOM 344 C PRO A 21 6.789 13.361 -0.345 1.00 0.00 C ATOM 345 O PRO A 21 7.948 13.698 -0.102 1.00 0.00 O ATOM 346 CB PRO A 21 5.866 14.298 1.784 1.00 0.00 C ATOM 347 CG PRO A 21 5.730 13.664 3.125 1.00 0.00 C ATOM 348 CD PRO A 21 6.320 12.288 3.000 1.00 0.00 C ATOM 0 HA PRO A 21 4.814 13.051 0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.812 14.832 1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.073 15.025 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.253 14.244 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.684 13.613 3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.378 12.279 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.823 11.576 3.659 1.00 0.00 H new ATOM 356 N LYS A 22 6.337 13.167 -1.578 1.00 0.00 N ATOM 357 CA LYS A 22 7.196 13.345 -2.742 1.00 0.00 C ATOM 358 C LYS A 22 7.555 14.816 -2.926 1.00 0.00 C ATOM 359 O LYS A 22 8.609 15.145 -3.468 1.00 0.00 O ATOM 360 CB LYS A 22 6.500 12.816 -3.997 1.00 0.00 C ATOM 361 CG LYS A 22 7.457 12.261 -5.040 1.00 0.00 C ATOM 362 CD LYS A 22 7.948 13.350 -5.980 1.00 0.00 C ATOM 363 CE LYS A 22 7.086 13.441 -7.229 1.00 0.00 C ATOM 364 NZ LYS A 22 6.517 14.805 -7.412 1.00 0.00 N ATOM 0 H LYS A 22 5.381 12.887 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 22 8.115 12.781 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.797 12.034 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.916 13.621 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.309 11.796 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.958 11.480 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.941 14.309 -5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.981 13.148 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.683 13.176 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.276 12.715 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.654 14.747 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.285 15.212 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.214 15.411 -7.891 1.00 0.00 H new ATOM 378 N ASN A 23 6.666 15.696 -2.476 1.00 0.00 N ATOM 379 CA ASN A 23 6.884 17.134 -2.595 1.00 0.00 C ATOM 380 C ASN A 23 7.381 17.733 -1.281 1.00 0.00 C ATOM 381 O ASN A 23 8.193 18.657 -1.280 1.00 0.00 O ATOM 382 CB ASN A 23 5.590 17.825 -3.032 1.00 0.00 C ATOM 383 CG ASN A 23 5.131 17.376 -4.407 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.697 16.453 -4.993 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.099 18.029 -4.930 1.00 0.00 N ATOM 0 H ASN A 23 5.788 15.439 -2.026 1.00 0.00 H new ATOM 0 HA ASN A 23 7.653 17.297 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.806 17.616 -2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.741 18.904 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.746 17.771 -5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.659 18.788 -4.410 1.00 0.00 H new ATOM 392 N SER A 24 6.879 17.210 -0.166 1.00 0.00 N ATOM 393 CA SER A 24 7.265 17.705 1.153 1.00 0.00 C ATOM 394 C SER A 24 8.236 16.753 1.847 1.00 0.00 C ATOM 395 O SER A 24 8.780 15.839 1.227 1.00 0.00 O ATOM 396 CB SER A 24 6.025 17.907 2.021 1.00 0.00 C ATOM 397 OG SER A 24 5.890 19.263 2.409 1.00 0.00 O ATOM 0 H SER A 24 6.205 16.445 -0.149 1.00 0.00 H new ATOM 0 HA SER A 24 7.772 18.660 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.138 17.592 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.091 17.277 2.908 1.00 0.00 H new ATOM 0 HG SER A 24 5.088 19.367 2.962 1.00 0.00 H new ATOM 403 N VAL A 25 8.449 16.981 3.141 1.00 0.00 N ATOM 404 CA VAL A 25 9.355 16.153 3.931 1.00 0.00 C ATOM 405 C VAL A 25 8.656 15.610 5.176 1.00 0.00 C ATOM 406 O VAL A 25 7.697 16.204 5.670 1.00 0.00 O ATOM 407 CB VAL A 25 10.607 16.947 4.357 1.00 0.00 C ATOM 408 CG1 VAL A 25 10.232 18.078 5.302 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.636 16.028 4.999 1.00 0.00 C ATOM 0 H VAL A 25 8.005 17.735 3.665 1.00 0.00 H new ATOM 0 HA VAL A 25 9.661 15.319 3.300 1.00 0.00 H new ATOM 0 HB VAL A 25 11.052 17.384 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.130 18.625 5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.539 18.755 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.757 17.666 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.511 16.609 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.202 15.556 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.933 15.260 4.285 1.00 0.00 H new ATOM 419 N GLY A 26 9.143 14.478 5.676 1.00 0.00 N ATOM 420 CA GLY A 26 8.554 13.875 6.857 1.00 0.00 C ATOM 421 C GLY A 26 8.867 12.397 6.969 1.00 0.00 C ATOM 422 O GLY A 26 8.133 11.649 7.617 1.00 0.00 O ATOM 0 H GLY A 26 9.935 13.968 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.921 14.389 7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.473 14.014 6.832 1.00 0.00 H new ATOM 426 N ARG A 27 9.958 11.975 6.334 1.00 0.00 N ATOM 427 CA ARG A 27 10.372 10.576 6.359 1.00 0.00 C ATOM 428 C ARG A 27 9.303 9.678 5.746 1.00 0.00 C ATOM 429 O ARG A 27 8.219 10.138 5.386 1.00 0.00 O ATOM 430 CB ARG A 27 10.671 10.134 7.795 1.00 0.00 C ATOM 431 CG ARG A 27 11.929 10.759 8.375 1.00 0.00 C ATOM 432 CD ARG A 27 12.333 10.090 9.677 1.00 0.00 C ATOM 433 NE ARG A 27 11.580 10.608 10.816 1.00 0.00 N ATOM 434 CZ ARG A 27 11.793 10.235 12.074 1.00 0.00 C ATOM 435 NH1 ARG A 27 12.727 9.337 12.355 1.00 0.00 N ATOM 436 NH2 ARG A 27 11.071 10.763 13.052 1.00 0.00 N ATOM 0 H ARG A 27 10.572 12.585 5.794 1.00 0.00 H new ATOM 0 HA ARG A 27 11.280 10.483 5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.822 10.390 8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.770 9.049 7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.743 10.677 7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.762 11.822 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.174 9.015 9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.399 10.243 9.847 1.00 0.00 H new ATOM 0 HE ARG A 27 10.848 11.296 10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.285 8.930 11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.887 9.053 13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.353 11.455 12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.234 10.477 14.018 1.00 0.00 H new ATOM 450 N TRP A 28 9.619 8.394 5.627 1.00 0.00 N ATOM 451 CA TRP A 28 8.692 7.428 5.054 1.00 0.00 C ATOM 452 C TRP A 28 7.732 6.890 6.112 1.00 0.00 C ATOM 453 O TRP A 28 7.707 7.367 7.247 1.00 0.00 O ATOM 454 CB TRP A 28 9.461 6.265 4.422 1.00 0.00 C ATOM 455 CG TRP A 28 10.338 6.675 3.279 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.552 7.296 3.357 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.069 6.492 1.884 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.054 7.510 2.096 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.163 7.025 1.175 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.011 5.928 1.166 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.227 7.010 -0.216 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.075 5.915 -0.216 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.176 6.452 -0.893 1.00 0.00 C ATOM 0 H TRP A 28 10.512 7.998 5.920 1.00 0.00 H new ATOM 0 HA TRP A 28 8.111 7.939 4.287 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.074 5.788 5.187 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.749 5.517 4.072 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.045 7.578 4.276 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.945 7.957 1.881 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.159 5.510 1.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.075 7.424 -0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.262 5.484 -0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.197 6.426 -1.972 1.00 0.00 H new ATOM 474 N LYS A 29 6.952 5.887 5.724 1.00 0.00 N ATOM 475 CA LYS A 29 5.990 5.256 6.618 1.00 0.00 C ATOM 476 C LYS A 29 5.848 3.788 6.246 1.00 0.00 C ATOM 477 O LYS A 29 6.109 3.417 5.107 1.00 0.00 O ATOM 478 CB LYS A 29 4.634 5.959 6.528 1.00 0.00 C ATOM 479 CG LYS A 29 4.462 7.081 7.540 1.00 0.00 C ATOM 480 CD LYS A 29 3.510 8.151 7.030 1.00 0.00 C ATOM 481 CE LYS A 29 2.685 8.745 8.160 1.00 0.00 C ATOM 482 NZ LYS A 29 1.318 9.127 7.709 1.00 0.00 N ATOM 0 H LYS A 29 6.969 5.490 4.784 1.00 0.00 H new ATOM 0 HA LYS A 29 6.347 5.337 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.510 6.365 5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.843 5.224 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.083 6.672 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.432 7.529 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.078 8.941 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.846 7.722 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.610 8.023 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.194 9.623 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.788 9.528 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.388 9.835 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.822 8.285 7.352 1.00 0.00 H new ATOM 496 N GLU A 30 5.451 2.952 7.201 1.00 0.00 N ATOM 497 CA GLU A 30 5.306 1.524 6.929 1.00 0.00 C ATOM 498 C GLU A 30 3.968 0.980 7.418 1.00 0.00 C ATOM 499 O GLU A 30 3.508 1.304 8.513 1.00 0.00 O ATOM 500 CB GLU A 30 6.449 0.739 7.574 1.00 0.00 C ATOM 501 CG GLU A 30 7.814 1.379 7.389 1.00 0.00 C ATOM 502 CD GLU A 30 8.952 0.438 7.734 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.764 -0.420 8.623 1.00 0.00 O ATOM 504 OE2 GLU A 30 10.030 0.558 7.117 1.00 0.00 O ATOM 0 H GLU A 30 5.227 3.232 8.156 1.00 0.00 H new ATOM 0 HA GLU A 30 5.342 1.399 5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.249 0.634 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.470 -0.266 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.920 1.707 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.881 2.269 8.014 1.00 0.00 H new ATOM 511 N ALA A 31 3.366 0.130 6.593 1.00 0.00 N ATOM 512 CA ALA A 31 2.092 -0.503 6.911 1.00 0.00 C ATOM 513 C ALA A 31 2.104 -1.947 6.421 1.00 0.00 C ATOM 514 O ALA A 31 2.142 -2.200 5.217 1.00 0.00 O ATOM 515 CB ALA A 31 0.941 0.270 6.286 1.00 0.00 C ATOM 0 H ALA A 31 3.747 -0.139 5.686 1.00 0.00 H new ATOM 0 HA ALA A 31 1.950 -0.498 7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.002 -0.217 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.935 1.289 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.064 0.293 5.203 1.00 0.00 H new ATOM 521 N THR A 32 2.103 -2.892 7.356 1.00 0.00 N ATOM 522 CA THR A 32 2.147 -4.307 7.001 1.00 0.00 C ATOM 523 C THR A 32 0.773 -4.965 7.020 1.00 0.00 C ATOM 524 O THR A 32 0.023 -4.852 7.990 1.00 0.00 O ATOM 525 CB THR A 32 3.081 -5.093 7.943 1.00 0.00 C ATOM 526 OG1 THR A 32 4.410 -4.563 7.870 1.00 0.00 O ATOM 527 CG2 THR A 32 3.100 -6.573 7.580 1.00 0.00 C ATOM 0 H THR A 32 2.072 -2.706 8.358 1.00 0.00 H new ATOM 0 HA THR A 32 2.531 -4.340 5.981 1.00 0.00 H new ATOM 0 HB THR A 32 2.703 -4.990 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.997 -5.066 8.472 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.766 -7.106 8.259 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.093 -6.981 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.455 -6.692 6.556 1.00 0.00 H new ATOM 535 N ILE A 33 0.474 -5.684 5.942 1.00 0.00 N ATOM 536 CA ILE A 33 -0.778 -6.412 5.811 1.00 0.00 C ATOM 537 C ILE A 33 -0.492 -7.815 5.278 1.00 0.00 C ATOM 538 O ILE A 33 -0.170 -7.983 4.101 1.00 0.00 O ATOM 539 CB ILE A 33 -1.758 -5.701 4.855 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.704 -4.185 5.057 1.00 0.00 C ATOM 541 CG2 ILE A 33 -3.172 -6.217 5.064 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.285 -3.426 3.818 1.00 0.00 C ATOM 0 H ILE A 33 1.094 -5.776 5.137 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.241 -6.460 6.796 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.458 -5.920 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.686 -3.833 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.008 -3.959 5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.851 -5.705 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.201 -7.289 4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.480 -6.028 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.268 -2.358 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.290 -3.750 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.994 -3.623 3.014 1.00 0.00 H new ATOM 554 N PRO A 34 -0.585 -8.843 6.139 1.00 0.00 N ATOM 555 CA PRO A 34 -0.313 -10.232 5.748 1.00 0.00 C ATOM 556 C PRO A 34 -1.170 -10.697 4.574 1.00 0.00 C ATOM 557 O PRO A 34 -2.323 -11.093 4.753 1.00 0.00 O ATOM 558 CB PRO A 34 -0.647 -11.034 7.009 1.00 0.00 C ATOM 559 CG PRO A 34 -0.513 -10.061 8.127 1.00 0.00 C ATOM 560 CD PRO A 34 -0.939 -8.733 7.567 1.00 0.00 C ATOM 0 HA PRO A 34 0.715 -10.357 5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.656 -11.444 6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.034 -11.876 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.139 -10.348 8.972 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.514 -10.021 8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.006 -8.561 7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.417 -7.906 8.049 1.00 0.00 H new ATOM 568 N GLY A 35 -0.591 -10.656 3.374 1.00 0.00 N ATOM 569 CA GLY A 35 -1.304 -11.082 2.181 1.00 0.00 C ATOM 570 C GLY A 35 -2.663 -10.424 2.031 1.00 0.00 C ATOM 571 O GLY A 35 -3.539 -10.956 1.348 1.00 0.00 O ATOM 0 H GLY A 35 0.362 -10.334 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.699 -10.855 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.432 -12.164 2.209 1.00 0.00 H new ATOM 575 N HIS A 36 -2.837 -9.267 2.666 1.00 0.00 N ATOM 576 CA HIS A 36 -4.099 -8.534 2.599 1.00 0.00 C ATOM 577 C HIS A 36 -5.262 -9.398 3.083 1.00 0.00 C ATOM 578 O HIS A 36 -5.793 -10.218 2.334 1.00 0.00 O ATOM 579 CB HIS A 36 -4.364 -8.059 1.169 1.00 0.00 C ATOM 580 CG HIS A 36 -4.550 -6.577 1.051 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.612 -6.041 0.364 1.00 0.00 N ATOM 582 CD2 HIS A 36 -3.788 -5.570 1.542 1.00 0.00 C ATOM 583 CE1 HIS A 36 -5.474 -4.730 0.451 1.00 0.00 C ATOM 584 NE2 HIS A 36 -4.383 -4.397 1.156 1.00 0.00 N ATOM 0 H HIS A 36 -2.119 -8.817 3.233 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.018 -7.667 3.254 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.532 -8.363 0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.254 -8.559 0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.885 -5.672 2.126 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.154 -4.016 0.010 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.058 -3.453 1.365 1.00 0.00 H new ATOM 592 N LEU A 37 -5.654 -9.204 4.337 1.00 0.00 N ATOM 593 CA LEU A 37 -6.756 -9.965 4.919 1.00 0.00 C ATOM 594 C LEU A 37 -8.101 -9.349 4.539 1.00 0.00 C ATOM 595 O LEU A 37 -9.141 -10.002 4.629 1.00 0.00 O ATOM 596 CB LEU A 37 -6.628 -10.059 6.450 1.00 0.00 C ATOM 597 CG LEU A 37 -5.941 -8.881 7.163 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.432 -8.942 6.984 1.00 0.00 C ATOM 599 CD2 LEU A 37 -6.484 -7.545 6.673 1.00 0.00 C ATOM 0 H LEU A 37 -5.227 -8.528 4.970 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.706 -10.975 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.628 -10.172 6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.077 -10.969 6.690 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.164 -8.965 8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.970 -8.099 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.053 -9.874 7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.189 -8.897 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.979 -6.733 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.308 -7.452 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.555 -7.493 6.871 1.00 0.00 H new ATOM 611 N ASN A 38 -8.069 -8.090 4.110 1.00 0.00 N ATOM 612 CA ASN A 38 -9.282 -7.383 3.711 1.00 0.00 C ATOM 613 C ASN A 38 -8.938 -6.068 3.015 1.00 0.00 C ATOM 614 O ASN A 38 -7.802 -5.866 2.583 1.00 0.00 O ATOM 615 CB ASN A 38 -10.175 -7.128 4.932 1.00 0.00 C ATOM 616 CG ASN A 38 -9.843 -5.833 5.655 1.00 0.00 C ATOM 617 OD1 ASN A 38 -8.557 -5.519 5.757 1.00 0.00 O flip ATOM 618 ND2 ASN A 38 -10.735 -5.121 6.115 1.00 0.00 N flip ATOM 0 H ASN A 38 -7.215 -7.538 4.030 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.828 -8.008 3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.217 -7.102 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.075 -7.961 5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.711 -5.398 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.498 -4.253 6.596 1.00 0.00 H new ATOM 625 N SER A 39 -9.919 -5.177 2.912 1.00 0.00 N ATOM 626 CA SER A 39 -9.709 -3.885 2.271 1.00 0.00 C ATOM 627 C SER A 39 -8.960 -2.938 3.204 1.00 0.00 C ATOM 628 O SER A 39 -9.528 -2.417 4.164 1.00 0.00 O ATOM 629 CB SER A 39 -11.048 -3.266 1.866 1.00 0.00 C ATOM 630 OG SER A 39 -12.132 -3.971 2.449 1.00 0.00 O ATOM 0 H SER A 39 -10.865 -5.326 3.263 1.00 0.00 H new ATOM 0 HA SER A 39 -9.107 -4.043 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.079 -2.222 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.144 -3.277 0.780 1.00 0.00 H new ATOM 0 HG SER A 39 -12.977 -3.555 2.177 1.00 0.00 H new ATOM 636 N TYR A 40 -7.680 -2.720 2.915 1.00 0.00 N ATOM 637 CA TYR A 40 -6.849 -1.837 3.727 1.00 0.00 C ATOM 638 C TYR A 40 -6.508 -0.562 2.962 1.00 0.00 C ATOM 639 O TYR A 40 -5.694 -0.581 2.037 1.00 0.00 O ATOM 640 CB TYR A 40 -5.564 -2.559 4.146 1.00 0.00 C ATOM 641 CG TYR A 40 -4.975 -2.061 5.449 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.596 -0.733 5.604 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.795 -2.922 6.524 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.056 -0.277 6.791 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.255 -2.474 7.715 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.887 -1.152 7.844 1.00 0.00 C ATOM 647 OH TYR A 40 -3.351 -0.702 9.028 1.00 0.00 O ATOM 0 H TYR A 40 -7.196 -3.143 2.124 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.410 -1.563 4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.772 -3.625 4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.821 -2.445 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.726 -0.045 4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.082 -3.959 6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.768 0.759 6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.122 -3.157 8.541 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.301 -1.443 9.667 1.00 0.00 H new ATOM 657 N THR A 41 -7.135 0.544 3.353 1.00 0.00 N ATOM 658 CA THR A 41 -6.899 1.827 2.702 1.00 0.00 C ATOM 659 C THR A 41 -6.302 2.836 3.678 1.00 0.00 C ATOM 660 O THR A 41 -6.644 2.848 4.861 1.00 0.00 O ATOM 661 CB THR A 41 -8.197 2.406 2.110 1.00 0.00 C ATOM 662 OG1 THR A 41 -9.084 1.344 1.739 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.899 3.271 0.895 1.00 0.00 C ATOM 0 H THR A 41 -7.810 0.577 4.117 1.00 0.00 H new ATOM 0 HA THR A 41 -6.192 1.645 1.893 1.00 0.00 H new ATOM 0 HB THR A 41 -8.671 3.026 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.908 1.721 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.831 3.669 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.248 4.095 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.404 2.669 0.133 1.00 0.00 H new ATOM 671 N ILE A 42 -5.406 3.680 3.175 1.00 0.00 N ATOM 672 CA ILE A 42 -4.757 4.690 4.000 1.00 0.00 C ATOM 673 C ILE A 42 -5.362 6.072 3.760 1.00 0.00 C ATOM 674 O ILE A 42 -5.489 6.516 2.618 1.00 0.00 O ATOM 675 CB ILE A 42 -3.241 4.745 3.725 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.605 3.381 3.995 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.580 5.820 4.576 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.954 2.764 2.777 1.00 0.00 C ATOM 0 H ILE A 42 -5.113 3.683 2.198 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.920 4.405 5.039 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.088 4.999 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.858 3.487 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.369 2.701 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.510 5.843 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.017 6.790 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.739 5.598 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.524 1.798 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.702 2.625 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.166 3.423 2.412 1.00 0.00 H new ATOM 690 N LYS A 43 -5.732 6.747 4.845 1.00 0.00 N ATOM 691 CA LYS A 43 -6.321 8.078 4.760 1.00 0.00 C ATOM 692 C LYS A 43 -5.564 9.067 5.642 1.00 0.00 C ATOM 693 O LYS A 43 -5.132 8.723 6.743 1.00 0.00 O ATOM 694 CB LYS A 43 -7.794 8.033 5.173 1.00 0.00 C ATOM 695 CG LYS A 43 -8.757 8.219 4.013 1.00 0.00 C ATOM 696 CD LYS A 43 -9.189 6.883 3.431 1.00 0.00 C ATOM 697 CE LYS A 43 -10.329 6.271 4.229 1.00 0.00 C ATOM 698 NZ LYS A 43 -9.966 4.936 4.782 1.00 0.00 N ATOM 0 H LYS A 43 -5.633 6.392 5.796 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.250 8.414 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.999 7.077 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.978 8.809 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.634 8.771 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.282 8.819 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.500 7.020 2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.341 6.198 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.601 6.940 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.207 6.173 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.611 4.696 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.045 4.217 4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.989 4.961 5.136 1.00 0.00 H new ATOM 712 N GLY A 44 -5.408 10.293 5.153 1.00 0.00 N ATOM 713 CA GLY A 44 -4.701 11.310 5.911 1.00 0.00 C ATOM 714 C GLY A 44 -3.540 11.910 5.142 1.00 0.00 C ATOM 715 O GLY A 44 -2.402 11.892 5.609 1.00 0.00 O ATOM 0 H GLY A 44 -5.758 10.601 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.397 12.102 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.331 10.874 6.839 1.00 0.00 H new ATOM 719 N LEU A 45 -3.828 12.442 3.957 1.00 0.00 N ATOM 720 CA LEU A 45 -2.799 13.051 3.119 1.00 0.00 C ATOM 721 C LEU A 45 -3.300 14.355 2.508 1.00 0.00 C ATOM 722 O LEU A 45 -3.671 14.399 1.336 1.00 0.00 O ATOM 723 CB LEU A 45 -2.372 12.084 2.012 1.00 0.00 C ATOM 724 CG LEU A 45 -2.250 10.622 2.439 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.438 9.699 1.245 1.00 0.00 C ATOM 726 CD2 LEU A 45 -0.905 10.370 3.104 1.00 0.00 C ATOM 0 H LEU A 45 -4.765 12.464 3.555 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.937 13.272 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.092 12.149 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.411 12.412 1.615 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.036 10.409 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.348 8.662 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.426 9.859 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.675 9.913 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.836 9.324 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.103 10.601 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.810 11.004 3.985 1.00 0.00 H new ATOM 738 N LYS A 46 -3.303 15.412 3.319 1.00 0.00 N ATOM 739 CA LYS A 46 -3.757 16.734 2.887 1.00 0.00 C ATOM 740 C LYS A 46 -3.404 16.996 1.421 1.00 0.00 C ATOM 741 O LYS A 46 -2.264 16.793 1.004 1.00 0.00 O ATOM 742 CB LYS A 46 -3.137 17.811 3.785 1.00 0.00 C ATOM 743 CG LYS A 46 -3.079 19.189 3.148 1.00 0.00 C ATOM 744 CD LYS A 46 -2.613 20.242 4.140 1.00 0.00 C ATOM 745 CE LYS A 46 -1.266 20.827 3.744 1.00 0.00 C ATOM 746 NZ LYS A 46 -1.294 22.315 3.712 1.00 0.00 N ATOM 0 H LYS A 46 -2.992 15.377 4.290 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.843 16.768 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.711 17.873 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.127 17.505 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.402 19.168 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.065 19.457 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.353 21.040 4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.540 19.800 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.504 20.493 4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.980 20.448 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.357 22.674 3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.003 22.634 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.542 22.678 4.655 1.00 0.00 H new ATOM 760 N PRO A 47 -4.389 17.446 0.616 1.00 0.00 N ATOM 761 CA PRO A 47 -4.180 17.727 -0.810 1.00 0.00 C ATOM 762 C PRO A 47 -3.067 18.740 -1.052 1.00 0.00 C ATOM 763 O PRO A 47 -2.497 19.291 -0.109 1.00 0.00 O ATOM 764 CB PRO A 47 -5.524 18.299 -1.269 1.00 0.00 C ATOM 765 CG PRO A 47 -6.514 17.793 -0.279 1.00 0.00 C ATOM 766 CD PRO A 47 -5.780 17.708 1.029 1.00 0.00 C ATOM 0 HA PRO A 47 -3.874 16.832 -1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.504 19.389 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.770 17.968 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.370 18.464 -0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.899 16.817 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.864 18.633 1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.171 16.909 1.659 1.00 0.00 H new ATOM 774 N GLY A 48 -2.762 18.979 -2.324 1.00 0.00 N ATOM 775 CA GLY A 48 -1.716 19.923 -2.671 1.00 0.00 C ATOM 776 C GLY A 48 -0.362 19.257 -2.801 1.00 0.00 C ATOM 777 O GLY A 48 0.449 19.638 -3.645 1.00 0.00 O ATOM 0 H GLY A 48 -3.221 18.536 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.969 20.413 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.664 20.701 -1.909 1.00 0.00 H new ATOM 781 N VAL A 49 -0.121 18.256 -1.960 1.00 0.00 N ATOM 782 CA VAL A 49 1.139 17.526 -1.978 1.00 0.00 C ATOM 783 C VAL A 49 0.919 16.071 -2.383 1.00 0.00 C ATOM 784 O VAL A 49 0.093 15.372 -1.798 1.00 0.00 O ATOM 785 CB VAL A 49 1.835 17.574 -0.600 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.869 17.170 0.503 1.00 0.00 C ATOM 787 CG2 VAL A 49 3.073 16.687 -0.586 1.00 0.00 C ATOM 0 H VAL A 49 -0.785 17.932 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 49 1.782 18.010 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 49 2.154 18.600 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.379 17.210 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.021 17.854 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.514 16.155 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.546 16.738 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.785 15.657 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.775 17.031 -1.345 1.00 0.00 H new ATOM 797 N VAL A 50 1.665 15.624 -3.388 1.00 0.00 N ATOM 798 CA VAL A 50 1.552 14.252 -3.870 1.00 0.00 C ATOM 799 C VAL A 50 2.396 13.310 -3.021 1.00 0.00 C ATOM 800 O VAL A 50 3.496 13.665 -2.593 1.00 0.00 O ATOM 801 CB VAL A 50 1.988 14.135 -5.343 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.738 12.729 -5.868 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.265 15.167 -6.196 1.00 0.00 C ATOM 0 H VAL A 50 2.353 16.191 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 50 0.502 13.969 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 50 3.058 14.332 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.053 12.668 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.306 12.013 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.675 12.497 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.585 15.070 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.189 15.003 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.502 16.168 -5.835 1.00 0.00 H new ATOM 813 N TYR A 51 1.877 12.112 -2.778 1.00 0.00 N ATOM 814 CA TYR A 51 2.587 11.124 -1.977 1.00 0.00 C ATOM 815 C TYR A 51 3.092 9.981 -2.847 1.00 0.00 C ATOM 816 O TYR A 51 2.374 9.483 -3.713 1.00 0.00 O ATOM 817 CB TYR A 51 1.674 10.576 -0.880 1.00 0.00 C ATOM 818 CG TYR A 51 1.777 11.326 0.428 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.768 11.019 1.351 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.880 12.339 0.742 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.862 11.699 2.550 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.967 13.025 1.939 1.00 0.00 C ATOM 823 CZ TYR A 51 1.960 12.701 2.839 1.00 0.00 C ATOM 824 OH TYR A 51 2.051 13.380 4.032 1.00 0.00 O ATOM 0 H TYR A 51 0.969 11.802 -3.124 1.00 0.00 H new ATOM 0 HA TYR A 51 3.445 11.615 -1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.642 10.611 -1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.917 9.528 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.477 10.236 1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.101 12.595 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.638 11.447 3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.261 13.810 2.168 1.00 0.00 H new ATOM 0 HH TYR A 51 1.342 14.055 4.079 1.00 0.00 H new ATOM 834 N GLU A 52 4.327 9.563 -2.604 1.00 0.00 N ATOM 835 CA GLU A 52 4.924 8.471 -3.357 1.00 0.00 C ATOM 836 C GLU A 52 5.127 7.263 -2.455 1.00 0.00 C ATOM 837 O GLU A 52 5.676 7.381 -1.361 1.00 0.00 O ATOM 838 CB GLU A 52 6.259 8.904 -3.967 1.00 0.00 C ATOM 839 CG GLU A 52 7.242 9.468 -2.953 1.00 0.00 C ATOM 840 CD GLU A 52 8.671 9.454 -3.460 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.050 8.477 -4.139 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.411 10.420 -3.178 1.00 0.00 O ATOM 0 H GLU A 52 4.935 9.965 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 52 4.247 8.199 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.715 8.048 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.071 9.655 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.958 10.491 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.181 8.889 -2.032 1.00 0.00 H new ATOM 849 N GLY A 53 4.674 6.105 -2.913 1.00 0.00 N ATOM 850 CA GLY A 53 4.814 4.902 -2.122 1.00 0.00 C ATOM 851 C GLY A 53 5.047 3.666 -2.963 1.00 0.00 C ATOM 852 O GLY A 53 4.688 3.623 -4.138 1.00 0.00 O ATOM 0 H GLY A 53 4.214 5.978 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.645 5.025 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.915 4.762 -1.521 1.00 0.00 H new ATOM 856 N GLN A 54 5.650 2.658 -2.347 1.00 0.00 N ATOM 857 CA GLN A 54 5.936 1.402 -3.021 1.00 0.00 C ATOM 858 C GLN A 54 5.502 0.232 -2.148 1.00 0.00 C ATOM 859 O GLN A 54 5.579 0.304 -0.921 1.00 0.00 O ATOM 860 CB GLN A 54 7.431 1.291 -3.342 1.00 0.00 C ATOM 861 CG GLN A 54 8.180 2.610 -3.235 1.00 0.00 C ATOM 862 CD GLN A 54 9.442 2.497 -2.403 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.546 2.739 -2.891 1.00 0.00 O ATOM 864 NE2 GLN A 54 9.285 2.130 -1.136 1.00 0.00 N ATOM 0 H GLN A 54 5.952 2.688 -1.373 1.00 0.00 H new ATOM 0 HA GLN A 54 5.378 1.376 -3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.886 0.569 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.548 0.898 -4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.438 2.959 -4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.525 3.361 -2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.351 1.939 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.098 2.039 -0.527 1.00 0.00 H new ATOM 873 N LEU A 55 5.040 -0.839 -2.777 1.00 0.00 N ATOM 874 CA LEU A 55 4.590 -2.011 -2.038 1.00 0.00 C ATOM 875 C LEU A 55 5.663 -3.093 -2.031 1.00 0.00 C ATOM 876 O LEU A 55 5.903 -3.751 -3.041 1.00 0.00 O ATOM 877 CB LEU A 55 3.299 -2.559 -2.648 1.00 0.00 C ATOM 878 CG LEU A 55 2.548 -3.569 -1.780 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.957 -2.891 -0.555 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.459 -4.257 -2.587 1.00 0.00 C ATOM 0 H LEU A 55 4.967 -0.921 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 55 4.397 -1.710 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.634 -1.723 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.538 -3.030 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 55 3.257 -4.325 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.427 -3.628 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.757 -2.446 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.262 -2.112 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.934 -4.973 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.753 -3.512 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.908 -4.780 -3.432 1.00 0.00 H new ATOM 892 N ILE A 56 6.299 -3.273 -0.877 1.00 0.00 N ATOM 893 CA ILE A 56 7.346 -4.275 -0.727 1.00 0.00 C ATOM 894 C ILE A 56 6.770 -5.568 -0.163 1.00 0.00 C ATOM 895 O ILE A 56 6.192 -5.578 0.919 1.00 0.00 O ATOM 896 CB ILE A 56 8.480 -3.778 0.202 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.315 -2.680 -0.477 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.378 -4.937 0.611 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.529 -1.432 -0.825 1.00 0.00 C ATOM 0 H ILE A 56 6.106 -2.736 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 56 7.762 -4.458 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 56 8.018 -3.353 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.139 -2.406 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.756 -3.085 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.170 -4.571 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.788 -5.685 1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.820 -5.386 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.190 -0.707 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.721 -1.690 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.110 -1.000 0.084 1.00 0.00 H new ATOM 911 N SER A 57 6.940 -6.661 -0.898 1.00 0.00 N ATOM 912 CA SER A 57 6.443 -7.954 -0.467 1.00 0.00 C ATOM 913 C SER A 57 7.540 -8.717 0.247 1.00 0.00 C ATOM 914 O SER A 57 8.563 -9.066 -0.338 1.00 0.00 O ATOM 915 CB SER A 57 5.919 -8.757 -1.655 1.00 0.00 C ATOM 916 OG SER A 57 6.804 -9.810 -2.000 1.00 0.00 O ATOM 0 H SER A 57 7.420 -6.673 -1.798 1.00 0.00 H new ATOM 0 HA SER A 57 5.615 -7.796 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.939 -9.168 -1.414 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.786 -8.097 -2.512 1.00 0.00 H new ATOM 0 HG SER A 57 7.723 -9.551 -1.778 1.00 0.00 H new ATOM 922 N ILE A 58 7.320 -8.950 1.523 1.00 0.00 N ATOM 923 CA ILE A 58 8.289 -9.654 2.350 1.00 0.00 C ATOM 924 C ILE A 58 7.835 -11.072 2.678 1.00 0.00 C ATOM 925 O ILE A 58 6.886 -11.276 3.438 1.00 0.00 O ATOM 926 CB ILE A 58 8.562 -8.899 3.664 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.882 -7.429 3.382 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.706 -9.558 4.422 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.779 -6.543 4.605 1.00 0.00 C ATOM 0 H ILE A 58 6.475 -8.662 2.017 1.00 0.00 H new ATOM 0 HA ILE A 58 9.208 -9.705 1.765 1.00 0.00 H new ATOM 0 HB ILE A 58 7.665 -8.942 4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.890 -7.357 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.201 -7.058 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.889 -9.015 5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.443 -10.590 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.606 -9.542 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.019 -5.516 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.764 -6.586 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.480 -6.889 5.365 1.00 0.00 H new ATOM 941 N GLN A 59 8.537 -12.046 2.110 1.00 0.00 N ATOM 942 CA GLN A 59 8.235 -13.450 2.348 1.00 0.00 C ATOM 943 C GLN A 59 9.029 -13.955 3.546 1.00 0.00 C ATOM 944 O GLN A 59 9.733 -13.185 4.198 1.00 0.00 O ATOM 945 CB GLN A 59 8.563 -14.287 1.110 1.00 0.00 C ATOM 946 CG GLN A 59 7.334 -14.746 0.343 1.00 0.00 C ATOM 947 CD GLN A 59 7.666 -15.742 -0.751 1.00 0.00 C ATOM 948 OE1 GLN A 59 8.602 -16.641 -0.470 1.00 0.00 O flip ATOM 949 NE2 GLN A 59 7.087 -15.705 -1.837 1.00 0.00 N flip ATOM 0 H GLN A 59 9.322 -11.887 1.479 1.00 0.00 H new ATOM 0 HA GLN A 59 7.170 -13.547 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.199 -13.703 0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.138 -15.161 1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.625 -15.198 1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.841 -13.879 -0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.374 -14.997 -2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.321 -16.382 -2.563 1.00 0.00 H new ATOM 958 N GLN A 60 8.915 -15.245 3.836 1.00 0.00 N ATOM 959 CA GLN A 60 9.633 -15.835 4.960 1.00 0.00 C ATOM 960 C GLN A 60 11.145 -15.708 4.767 1.00 0.00 C ATOM 961 O GLN A 60 11.916 -15.873 5.712 1.00 0.00 O ATOM 962 CB GLN A 60 9.242 -17.306 5.131 1.00 0.00 C ATOM 963 CG GLN A 60 9.843 -18.228 4.082 1.00 0.00 C ATOM 964 CD GLN A 60 9.819 -19.683 4.503 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.805 -20.367 4.360 1.00 0.00 O ATOM 966 NE2 GLN A 60 10.940 -20.165 5.028 1.00 0.00 N ATOM 0 H GLN A 60 8.335 -15.900 3.312 1.00 0.00 H new ATOM 0 HA GLN A 60 9.356 -15.291 5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.555 -17.643 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.156 -17.390 5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.294 -18.115 3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.872 -17.927 3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.757 -19.562 5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.984 -21.138 5.331 1.00 0.00 H new ATOM 975 N TYR A 61 11.558 -15.415 3.536 1.00 0.00 N ATOM 976 CA TYR A 61 12.976 -15.265 3.217 1.00 0.00 C ATOM 977 C TYR A 61 13.364 -13.793 3.084 1.00 0.00 C ATOM 978 O TYR A 61 14.518 -13.470 2.803 1.00 0.00 O ATOM 979 CB TYR A 61 13.306 -16.006 1.919 1.00 0.00 C ATOM 980 CG TYR A 61 13.099 -17.503 2.003 1.00 0.00 C ATOM 981 CD1 TYR A 61 13.643 -18.244 3.047 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.361 -18.177 1.038 1.00 0.00 C ATOM 983 CE1 TYR A 61 13.456 -19.609 3.126 1.00 0.00 C ATOM 984 CE2 TYR A 61 12.171 -19.543 1.110 1.00 0.00 C ATOM 985 CZ TYR A 61 12.720 -20.255 2.156 1.00 0.00 C ATOM 986 OH TYR A 61 12.531 -21.616 2.230 1.00 0.00 O ATOM 0 H TYR A 61 10.931 -15.277 2.743 1.00 0.00 H new ATOM 0 HA TYR A 61 13.550 -15.696 4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.686 -15.607 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.343 -15.806 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 61 14.222 -17.743 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.929 -17.623 0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 61 13.884 -20.169 3.944 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.595 -20.051 0.351 1.00 0.00 H new ATOM 0 HH TYR A 61 11.989 -21.913 1.469 1.00 0.00 H new ATOM 996 N GLY A 62 12.393 -12.907 3.284 1.00 0.00 N ATOM 997 CA GLY A 62 12.653 -11.481 3.179 1.00 0.00 C ATOM 998 C GLY A 62 11.930 -10.850 2.004 1.00 0.00 C ATOM 999 O GLY A 62 11.274 -11.545 1.227 1.00 0.00 O ATOM 0 H GLY A 62 11.430 -13.150 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.343 -10.988 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.725 -11.316 3.074 1.00 0.00 H new ATOM 1003 N HIS A 63 12.049 -9.530 1.871 1.00 0.00 N ATOM 1004 CA HIS A 63 11.401 -8.808 0.778 1.00 0.00 C ATOM 1005 C HIS A 63 11.810 -9.393 -0.571 1.00 0.00 C ATOM 1006 O HIS A 63 12.865 -10.020 -0.684 1.00 0.00 O ATOM 1007 CB HIS A 63 11.753 -7.320 0.839 1.00 0.00 C ATOM 1008 CG HIS A 63 13.114 -6.994 0.301 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.337 -6.865 -1.048 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.277 -6.782 0.964 1.00 0.00 C ATOM 1011 CE1 HIS A 63 14.619 -6.579 -1.177 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.232 -6.518 0.016 1.00 0.00 N ATOM 0 H HIS A 63 12.587 -8.940 2.505 1.00 0.00 H new ATOM 0 HA HIS A 63 10.322 -8.917 0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.007 -6.757 0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.693 -6.985 1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.423 -6.815 2.034 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.113 -6.415 -2.123 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.217 -6.315 0.185 1.00 0.00 H new ATOM 1020 N GLN A 64 10.977 -9.195 -1.593 1.00 0.00 N ATOM 1021 CA GLN A 64 11.282 -9.720 -2.919 1.00 0.00 C ATOM 1022 C GLN A 64 10.352 -9.162 -3.999 1.00 0.00 C ATOM 1023 O GLN A 64 10.472 -9.533 -5.167 1.00 0.00 O ATOM 1024 CB GLN A 64 11.201 -11.250 -2.916 1.00 0.00 C ATOM 1025 CG GLN A 64 10.140 -11.809 -1.980 1.00 0.00 C ATOM 1026 CD GLN A 64 10.121 -13.325 -1.961 1.00 0.00 C ATOM 1027 OE1 GLN A 64 9.322 -13.957 -2.651 1.00 0.00 O ATOM 1028 NE2 GLN A 64 11.007 -13.917 -1.168 1.00 0.00 N ATOM 0 H GLN A 64 10.098 -8.682 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 64 12.296 -9.400 -3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.996 -11.595 -3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.172 -11.655 -2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.319 -11.439 -0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.161 -11.441 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.651 -13.354 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.043 -14.935 -1.114 1.00 0.00 H new ATOM 1037 N GLU A 65 9.425 -8.282 -3.623 1.00 0.00 N ATOM 1038 CA GLU A 65 8.497 -7.711 -4.601 1.00 0.00 C ATOM 1039 C GLU A 65 8.141 -6.265 -4.279 1.00 0.00 C ATOM 1040 O GLU A 65 7.485 -5.988 -3.284 1.00 0.00 O ATOM 1041 CB GLU A 65 7.220 -8.550 -4.639 1.00 0.00 C ATOM 1042 CG GLU A 65 6.780 -8.933 -6.042 1.00 0.00 C ATOM 1043 CD GLU A 65 5.519 -9.775 -6.050 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.336 -10.581 -5.113 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.713 -9.629 -6.993 1.00 0.00 O ATOM 0 H GLU A 65 9.296 -7.953 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 65 8.992 -7.723 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.375 -9.458 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.417 -7.994 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.611 -8.028 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.583 -9.483 -6.533 1.00 0.00 H new ATOM 1052 N VAL A 66 8.557 -5.338 -5.132 1.00 0.00 N ATOM 1053 CA VAL A 66 8.250 -3.935 -4.904 1.00 0.00 C ATOM 1054 C VAL A 66 7.809 -3.215 -6.177 1.00 0.00 C ATOM 1055 O VAL A 66 8.367 -3.427 -7.255 1.00 0.00 O ATOM 1056 CB VAL A 66 9.446 -3.216 -4.261 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.749 -3.670 -4.882 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.294 -1.703 -4.335 1.00 0.00 C ATOM 0 H VAL A 66 9.099 -5.529 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 66 7.406 -3.904 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 66 9.467 -3.488 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.580 -3.146 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.867 -4.744 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.740 -3.448 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.158 -1.227 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.227 -1.395 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.388 -1.402 -3.809 1.00 0.00 H new ATOM 1068 N THR A 67 6.802 -2.354 -6.030 1.00 0.00 N ATOM 1069 CA THR A 67 6.269 -1.579 -7.145 1.00 0.00 C ATOM 1070 C THR A 67 6.016 -0.134 -6.718 1.00 0.00 C ATOM 1071 O THR A 67 5.311 0.116 -5.742 1.00 0.00 O ATOM 1072 CB THR A 67 4.955 -2.190 -7.673 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.148 -3.577 -7.976 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.474 -1.458 -8.917 1.00 0.00 C ATOM 0 H THR A 67 6.337 -2.176 -5.140 1.00 0.00 H new ATOM 0 HA THR A 67 7.011 -1.600 -7.943 1.00 0.00 H new ATOM 0 HB THR A 67 4.197 -2.087 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.309 -3.959 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.546 -1.909 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.300 -0.409 -8.677 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.231 -1.531 -9.698 1.00 0.00 H new ATOM 1082 N ARG A 68 6.605 0.812 -7.445 1.00 0.00 N ATOM 1083 CA ARG A 68 6.452 2.229 -7.129 1.00 0.00 C ATOM 1084 C ARG A 68 5.184 2.814 -7.748 1.00 0.00 C ATOM 1085 O ARG A 68 4.824 2.487 -8.880 1.00 0.00 O ATOM 1086 CB ARG A 68 7.674 3.011 -7.611 1.00 0.00 C ATOM 1087 CG ARG A 68 8.993 2.332 -7.281 1.00 0.00 C ATOM 1088 CD ARG A 68 10.004 2.491 -8.406 1.00 0.00 C ATOM 1089 NE ARG A 68 9.899 3.793 -9.061 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.435 4.909 -8.576 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.121 4.884 -7.441 1.00 0.00 N ATOM 1092 NH2 ARG A 68 10.288 6.054 -9.231 1.00 0.00 N ATOM 0 H ARG A 68 7.193 0.623 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 68 6.366 2.317 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.605 3.150 -8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.662 4.004 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.401 2.755 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.820 1.272 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.011 2.366 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.853 1.702 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 68 9.385 3.849 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.239 4.006 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.530 5.743 -7.073 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.764 6.077 -10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.699 6.910 -8.859 1.00 0.00 H new ATOM 1106 N PHE A 69 4.519 3.687 -6.994 1.00 0.00 N ATOM 1107 CA PHE A 69 3.292 4.334 -7.453 1.00 0.00 C ATOM 1108 C PHE A 69 3.072 5.655 -6.722 1.00 0.00 C ATOM 1109 O PHE A 69 3.573 5.854 -5.617 1.00 0.00 O ATOM 1110 CB PHE A 69 2.087 3.415 -7.243 1.00 0.00 C ATOM 1111 CG PHE A 69 2.101 2.686 -5.930 1.00 0.00 C ATOM 1112 CD1 PHE A 69 1.723 3.325 -4.759 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.492 1.359 -5.866 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.734 2.653 -3.551 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.505 0.682 -4.662 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.125 1.330 -3.502 1.00 0.00 C ATOM 0 H PHE A 69 4.812 3.964 -6.057 1.00 0.00 H new ATOM 0 HA PHE A 69 3.397 4.537 -8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.174 4.007 -7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.053 2.686 -8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.416 4.360 -4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.791 0.847 -6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.437 3.163 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.812 -0.353 -4.627 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.134 0.803 -2.560 1.00 0.00 H new ATOM 1126 N ASP A 70 2.309 6.550 -7.342 1.00 0.00 N ATOM 1127 CA ASP A 70 2.010 7.849 -6.748 1.00 0.00 C ATOM 1128 C ASP A 70 0.521 7.952 -6.452 1.00 0.00 C ATOM 1129 O ASP A 70 -0.308 7.624 -7.302 1.00 0.00 O ATOM 1130 CB ASP A 70 2.442 8.979 -7.685 1.00 0.00 C ATOM 1131 CG ASP A 70 3.921 9.296 -7.569 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.697 8.386 -7.209 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.302 10.454 -7.839 1.00 0.00 O ATOM 0 H ASP A 70 1.886 6.399 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 70 2.566 7.944 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.213 8.701 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.863 9.875 -7.460 1.00 0.00 H new ATOM 1138 N PHE A 71 0.180 8.381 -5.243 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.220 8.486 -4.860 1.00 0.00 C ATOM 1140 C PHE A 71 -1.458 9.566 -3.805 1.00 0.00 C ATOM 1141 O PHE A 71 -0.533 10.011 -3.126 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.702 7.133 -4.341 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.414 6.907 -2.882 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.116 6.695 -2.440 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.442 6.906 -1.953 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.149 6.488 -1.100 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -2.182 6.699 -0.611 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.885 6.489 -0.184 1.00 0.00 C ATOM 0 H PHE A 71 0.844 8.658 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.786 8.776 -5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.776 7.052 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.229 6.341 -4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.696 6.692 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.458 7.069 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.164 6.325 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.992 6.701 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.680 6.326 0.864 1.00 0.00 H new ATOM 1158 N THR A 72 -2.722 9.964 -3.676 1.00 0.00 N ATOM 1159 CA THR A 72 -3.129 10.972 -2.708 1.00 0.00 C ATOM 1160 C THR A 72 -4.538 10.678 -2.202 1.00 0.00 C ATOM 1161 O THR A 72 -5.328 10.031 -2.890 1.00 0.00 O ATOM 1162 CB THR A 72 -3.097 12.387 -3.312 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.327 12.324 -4.724 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.760 13.060 -3.042 1.00 0.00 C ATOM 0 H THR A 72 -3.489 9.596 -4.239 1.00 0.00 H new ATOM 0 HA THR A 72 -2.419 10.933 -1.881 1.00 0.00 H new ATOM 0 HB THR A 72 -3.885 12.976 -2.842 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.307 13.229 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.761 14.059 -3.478 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.601 13.134 -1.966 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.959 12.470 -3.488 1.00 0.00 H new