USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 0.594 (180deg=0.594) USER MOD Single : A 16 ASN : amide:sc= -0.839 X(o=-0.84,f=-0.75) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.6) USER MOD Single : A 20 THR OG1 : rot -30:sc= 0.133 USER MOD Single : A 21 ASN : amide:sc= -0.387 K(o=-0.39,f=-3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.0722 (180deg=-0.365) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 36 THR OG1 : rot -42:sc= 0.245 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.014) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 127:sc= 1.16 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -12.073 -4.263 -0.260 1.00 0.00 N ATOM 117 CA LEU A 9 -11.395 -3.118 0.334 1.00 0.00 C ATOM 118 C LEU A 9 -10.443 -2.478 -0.668 1.00 0.00 C ATOM 119 O LEU A 9 -9.354 -2.993 -0.922 1.00 0.00 O ATOM 120 CB LEU A 9 -10.625 -3.547 1.589 1.00 0.00 C ATOM 121 CG LEU A 9 -10.266 -2.420 2.566 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.848 -2.997 3.909 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.157 -1.544 2.003 1.00 0.00 C ATOM 0 HA LEU A 9 -12.149 -2.383 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.219 -4.289 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.704 -4.040 1.277 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.152 -1.801 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.596 -2.185 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.669 -3.580 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.978 -3.640 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.921 -0.753 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.268 -2.150 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.486 -1.100 1.063 1.00 0.00 H new ATOM 135 N VAL A 10 -10.858 -1.351 -1.230 1.00 0.00 N ATOM 136 CA VAL A 10 -10.041 -0.637 -2.200 1.00 0.00 C ATOM 137 C VAL A 10 -9.326 0.531 -1.534 1.00 0.00 C ATOM 138 O VAL A 10 -9.914 1.243 -0.720 1.00 0.00 O ATOM 139 CB VAL A 10 -10.893 -0.110 -3.371 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.005 0.450 -4.471 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.797 -1.207 -3.913 1.00 0.00 C ATOM 0 H VAL A 10 -11.757 -0.912 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.307 -1.341 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.524 0.698 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.626 0.817 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.407 1.270 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.345 -0.335 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.390 -0.815 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.188 -2.039 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.462 -1.555 -3.122 1.00 0.00 H new ATOM 151 N VAL A 11 -8.056 0.721 -1.874 1.00 0.00 N ATOM 152 CA VAL A 11 -7.268 1.802 -1.295 1.00 0.00 C ATOM 153 C VAL A 11 -6.795 2.778 -2.372 1.00 0.00 C ATOM 154 O VAL A 11 -6.722 2.427 -3.550 1.00 0.00 O ATOM 155 CB VAL A 11 -6.052 1.250 -0.525 1.00 0.00 C ATOM 156 CG1 VAL A 11 -4.935 0.845 -1.478 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.561 2.264 0.495 1.00 0.00 C ATOM 0 H VAL A 11 -7.552 0.142 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.914 2.336 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.368 0.355 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.091 0.460 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.297 0.072 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.616 1.713 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.702 1.857 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.269 3.182 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.359 2.482 1.205 1.00 0.00 H new ATOM 167 N ARG A 12 -6.477 4.004 -1.961 1.00 0.00 N ATOM 168 CA ARG A 12 -6.021 5.030 -2.894 1.00 0.00 C ATOM 169 C ARG A 12 -4.752 5.712 -2.392 1.00 0.00 C ATOM 170 O ARG A 12 -4.639 6.050 -1.214 1.00 0.00 O ATOM 171 CB ARG A 12 -7.119 6.072 -3.107 1.00 0.00 C ATOM 172 CG ARG A 12 -6.788 7.097 -4.178 1.00 0.00 C ATOM 173 CD ARG A 12 -7.825 8.206 -4.221 1.00 0.00 C ATOM 174 NE ARG A 12 -7.534 9.188 -5.262 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.140 10.367 -5.353 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.063 10.714 -4.464 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.826 11.202 -6.333 1.00 0.00 N ATOM 0 H ARG A 12 -6.527 4.310 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.794 4.543 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.044 5.562 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.304 6.590 -2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.804 7.524 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.737 6.607 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.810 7.774 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.863 8.705 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.826 8.956 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.309 10.075 -3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.526 11.620 -4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.118 10.940 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.292 12.107 -6.401 1.00 0.00 H new ATOM 191 N ALA A 13 -3.798 5.906 -3.299 1.00 0.00 N ATOM 192 CA ALA A 13 -2.531 6.550 -2.965 1.00 0.00 C ATOM 193 C ALA A 13 -2.738 7.985 -2.488 1.00 0.00 C ATOM 194 O ALA A 13 -3.535 8.731 -3.061 1.00 0.00 O ATOM 195 CB ALA A 13 -1.602 6.525 -4.167 1.00 0.00 C ATOM 0 H ALA A 13 -3.880 5.625 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.077 5.991 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.659 7.008 -3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.413 5.492 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.066 7.057 -4.997 1.00 0.00 H new ATOM 201 N LYS A 14 -2.015 8.367 -1.437 1.00 0.00 N ATOM 202 CA LYS A 14 -2.115 9.718 -0.890 1.00 0.00 C ATOM 203 C LYS A 14 -0.982 10.603 -1.403 1.00 0.00 C ATOM 204 O LYS A 14 -1.211 11.548 -2.157 1.00 0.00 O ATOM 205 CB LYS A 14 -2.088 9.685 0.641 1.00 0.00 C ATOM 206 CG LYS A 14 -3.266 8.949 1.257 1.00 0.00 C ATOM 207 CD LYS A 14 -3.344 9.173 2.761 1.00 0.00 C ATOM 208 CE LYS A 14 -2.182 8.519 3.491 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.293 8.684 4.967 1.00 0.00 N ATOM 0 H LYS A 14 -1.355 7.762 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.065 10.138 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.163 9.211 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.073 10.708 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.191 9.287 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.177 7.882 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.348 10.243 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.284 8.771 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.150 7.458 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.244 8.955 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.465 8.254 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.333 9.697 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.158 8.216 5.304 1.00 0.00 H new ATOM 223 N PHE A 15 0.242 10.287 -0.988 1.00 0.00 N ATOM 224 CA PHE A 15 1.413 11.057 -1.394 1.00 0.00 C ATOM 225 C PHE A 15 2.168 10.359 -2.520 1.00 0.00 C ATOM 226 O PHE A 15 1.875 9.213 -2.862 1.00 0.00 O ATOM 227 CB PHE A 15 2.347 11.267 -0.200 1.00 0.00 C ATOM 228 CG PHE A 15 1.622 11.516 1.092 1.00 0.00 C ATOM 229 CD1 PHE A 15 0.814 12.631 1.247 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.745 10.631 2.152 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.143 12.858 2.433 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.077 10.854 3.340 1.00 0.00 C ATOM 233 CZ PHE A 15 0.275 11.968 3.480 1.00 0.00 C ATOM 0 H PHE A 15 0.448 9.502 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 15 1.068 12.024 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.983 10.389 -0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.004 12.112 -0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.708 13.331 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.371 9.757 2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.484 13.731 2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.182 10.157 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.249 12.144 4.408 1.00 0.00 H new ATOM 243 N ASN A 16 3.143 11.060 -3.091 1.00 0.00 N ATOM 244 CA ASN A 16 3.949 10.512 -4.177 1.00 0.00 C ATOM 245 C ASN A 16 4.975 9.514 -3.650 1.00 0.00 C ATOM 246 O ASN A 16 5.955 9.893 -3.008 1.00 0.00 O ATOM 247 CB ASN A 16 4.651 11.640 -4.938 1.00 0.00 C ATOM 248 CG ASN A 16 5.226 12.700 -4.016 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.583 12.421 -2.872 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.315 13.929 -4.513 1.00 0.00 N ATOM 0 H ASN A 16 3.394 12.010 -2.819 1.00 0.00 H new ATOM 0 HA ASN A 16 3.283 9.985 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.452 11.219 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.943 12.106 -5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.691 14.685 -3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.007 14.117 -5.467 1.00 0.00 H new ATOM 257 N PHE A 17 4.741 8.233 -3.924 1.00 0.00 N ATOM 258 CA PHE A 17 5.643 7.176 -3.478 1.00 0.00 C ATOM 259 C PHE A 17 6.642 6.816 -4.573 1.00 0.00 C ATOM 260 O PHE A 17 6.314 6.846 -5.760 1.00 0.00 O ATOM 261 CB PHE A 17 4.842 5.937 -3.075 1.00 0.00 C ATOM 262 CG PHE A 17 5.666 4.867 -2.416 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.311 3.903 -3.175 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.793 4.823 -1.036 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.067 2.917 -2.571 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.548 3.839 -0.426 1.00 0.00 C ATOM 267 CZ PHE A 17 7.187 2.885 -1.194 1.00 0.00 C ATOM 0 H PHE A 17 3.934 7.902 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 17 6.197 7.542 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.044 6.237 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.365 5.520 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.221 3.923 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.296 5.566 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.564 2.172 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.638 3.816 0.650 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.779 2.116 -0.720 1.00 0.00 H new ATOM 277 N GLN A 18 7.861 6.475 -4.168 1.00 0.00 N ATOM 278 CA GLN A 18 8.905 6.104 -5.115 1.00 0.00 C ATOM 279 C GLN A 18 9.540 4.772 -4.728 1.00 0.00 C ATOM 280 O GLN A 18 10.161 4.654 -3.671 1.00 0.00 O ATOM 281 CB GLN A 18 9.977 7.195 -5.181 1.00 0.00 C ATOM 282 CG GLN A 18 11.066 6.918 -6.207 1.00 0.00 C ATOM 283 CD GLN A 18 12.193 7.929 -6.151 1.00 0.00 C ATOM 284 OE1 GLN A 18 13.165 7.753 -5.416 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.071 8.997 -6.932 1.00 0.00 N ATOM 0 H GLN A 18 8.150 6.448 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 18 8.448 5.997 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.501 8.147 -5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.435 7.303 -4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.471 5.920 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.629 6.923 -7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.249 9.103 -7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.800 9.711 -6.938 1.00 0.00 H new ATOM 294 N GLN A 19 9.379 3.773 -5.590 1.00 0.00 N ATOM 295 CA GLN A 19 9.936 2.448 -5.338 1.00 0.00 C ATOM 296 C GLN A 19 11.431 2.421 -5.628 1.00 0.00 C ATOM 297 O GLN A 19 12.039 3.453 -5.913 1.00 0.00 O ATOM 298 CB GLN A 19 9.224 1.401 -6.198 1.00 0.00 C ATOM 299 CG GLN A 19 9.442 1.588 -7.692 1.00 0.00 C ATOM 300 CD GLN A 19 8.699 0.560 -8.523 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.645 0.065 -8.122 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.246 0.234 -9.689 1.00 0.00 N ATOM 0 H GLN A 19 8.868 3.855 -6.469 1.00 0.00 H new ATOM 0 HA GLN A 19 9.783 2.213 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.572 0.409 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.155 1.437 -5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.116 2.587 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.508 1.525 -7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.121 0.669 -9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.791 -0.452 -10.292 1.00 0.00 H new ATOM 311 N THR A 20 12.018 1.232 -5.550 1.00 0.00 N ATOM 312 CA THR A 20 13.440 1.059 -5.808 1.00 0.00 C ATOM 313 C THR A 20 13.693 -0.200 -6.629 1.00 0.00 C ATOM 314 O THR A 20 14.771 -0.379 -7.197 1.00 0.00 O ATOM 315 CB THR A 20 14.245 0.978 -4.497 1.00 0.00 C ATOM 316 OG1 THR A 20 15.644 0.871 -4.786 1.00 0.00 O ATOM 317 CG2 THR A 20 13.805 -0.216 -3.662 1.00 0.00 C ATOM 0 H THR A 20 11.527 0.371 -5.309 1.00 0.00 H new ATOM 0 HA THR A 20 13.771 1.932 -6.370 1.00 0.00 H new ATOM 0 HB THR A 20 14.059 1.889 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.767 0.403 -5.638 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.388 -0.251 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.747 -0.119 -3.418 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.964 -1.134 -4.228 1.00 0.00 H new ATOM 325 N ASN A 21 12.689 -1.070 -6.686 1.00 0.00 N ATOM 326 CA ASN A 21 12.793 -2.315 -7.438 1.00 0.00 C ATOM 327 C ASN A 21 11.417 -2.775 -7.910 1.00 0.00 C ATOM 328 O ASN A 21 10.395 -2.397 -7.337 1.00 0.00 O ATOM 329 CB ASN A 21 13.447 -3.398 -6.575 1.00 0.00 C ATOM 330 CG ASN A 21 13.759 -4.657 -7.359 1.00 0.00 C ATOM 331 OD1 ASN A 21 13.997 -4.608 -8.567 1.00 0.00 O ATOM 332 ND2 ASN A 21 13.766 -5.795 -6.675 1.00 0.00 N ATOM 0 H ASN A 21 11.792 -0.935 -6.219 1.00 0.00 H new ATOM 0 HA ASN A 21 13.415 -2.139 -8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.368 -3.006 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.785 -3.646 -5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.974 -6.674 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.563 -5.790 -5.675 1.00 0.00 H new ATOM 339 N GLU A 22 11.396 -3.588 -8.962 1.00 0.00 N ATOM 340 CA GLU A 22 10.143 -4.095 -9.516 1.00 0.00 C ATOM 341 C GLU A 22 9.412 -4.981 -8.512 1.00 0.00 C ATOM 342 O GLU A 22 8.193 -5.143 -8.589 1.00 0.00 O ATOM 343 CB GLU A 22 10.412 -4.875 -10.804 1.00 0.00 C ATOM 344 CG GLU A 22 11.287 -6.102 -10.603 1.00 0.00 C ATOM 345 CD GLU A 22 11.540 -6.854 -11.894 1.00 0.00 C ATOM 346 OE1 GLU A 22 10.671 -7.658 -12.293 1.00 0.00 O ATOM 347 OE2 GLU A 22 12.606 -6.638 -12.507 1.00 0.00 O ATOM 0 H GLU A 22 12.232 -3.910 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 22 9.505 -3.240 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.461 -5.185 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.890 -4.213 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.240 -5.797 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.811 -6.770 -9.885 1.00 0.00 H new ATOM 354 N ASP A 23 10.158 -5.556 -7.572 1.00 0.00 N ATOM 355 CA ASP A 23 9.569 -6.424 -6.555 1.00 0.00 C ATOM 356 C ASP A 23 8.606 -5.645 -5.665 1.00 0.00 C ATOM 357 O ASP A 23 7.769 -6.231 -4.978 1.00 0.00 O ATOM 358 CB ASP A 23 10.663 -7.072 -5.705 1.00 0.00 C ATOM 359 CG ASP A 23 11.376 -8.193 -6.436 1.00 0.00 C ATOM 360 OD1 ASP A 23 12.183 -7.894 -7.340 1.00 0.00 O ATOM 361 OD2 ASP A 23 11.124 -9.370 -6.105 1.00 0.00 O ATOM 0 H ASP A 23 11.168 -5.437 -7.493 1.00 0.00 H new ATOM 0 HA ASP A 23 9.009 -7.208 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.389 -6.313 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.223 -7.463 -4.788 1.00 0.00 H new ATOM 366 N GLU A 24 8.729 -4.321 -5.682 1.00 0.00 N ATOM 367 CA GLU A 24 7.864 -3.462 -4.881 1.00 0.00 C ATOM 368 C GLU A 24 6.693 -2.961 -5.725 1.00 0.00 C ATOM 369 O GLU A 24 6.344 -3.572 -6.735 1.00 0.00 O ATOM 370 CB GLU A 24 8.660 -2.280 -4.325 1.00 0.00 C ATOM 371 CG GLU A 24 8.171 -1.797 -2.969 1.00 0.00 C ATOM 372 CD GLU A 24 8.416 -2.809 -1.866 1.00 0.00 C ATOM 373 OE1 GLU A 24 7.542 -3.675 -1.650 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.482 -2.735 -1.220 1.00 0.00 O ATOM 0 H GLU A 24 9.419 -3.820 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 24 7.471 -4.041 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.708 -2.566 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.610 -1.454 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.673 -0.863 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.104 -1.580 -3.028 1.00 0.00 H new ATOM 381 N LEU A 25 6.092 -1.849 -5.313 1.00 0.00 N ATOM 382 CA LEU A 25 4.964 -1.280 -6.042 1.00 0.00 C ATOM 383 C LEU A 25 4.950 0.239 -5.911 1.00 0.00 C ATOM 384 O LEU A 25 4.781 0.776 -4.816 1.00 0.00 O ATOM 385 CB LEU A 25 3.647 -1.867 -5.519 1.00 0.00 C ATOM 386 CG LEU A 25 2.465 -1.809 -6.493 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.339 -2.710 -6.014 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.966 -0.381 -6.654 1.00 0.00 C ATOM 0 H LEU A 25 6.366 -1.326 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 25 5.072 -1.534 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.817 -2.908 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.370 -1.337 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 25 2.808 -2.163 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.507 -2.658 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.697 -3.738 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.004 -2.382 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.127 -0.365 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.642 0.003 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.771 0.244 -7.041 1.00 0.00 H new ATOM 400 N SER A 26 5.130 0.925 -7.035 1.00 0.00 N ATOM 401 CA SER A 26 5.137 2.384 -7.051 1.00 0.00 C ATOM 402 C SER A 26 3.743 2.923 -7.349 1.00 0.00 C ATOM 403 O SER A 26 2.945 2.265 -8.017 1.00 0.00 O ATOM 404 CB SER A 26 6.129 2.903 -8.092 1.00 0.00 C ATOM 405 OG SER A 26 6.102 4.318 -8.163 1.00 0.00 O ATOM 0 H SER A 26 5.273 0.493 -7.948 1.00 0.00 H new ATOM 0 HA SER A 26 5.445 2.733 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.135 2.568 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.889 2.482 -9.069 1.00 0.00 H new ATOM 0 HG SER A 26 6.747 4.624 -8.835 1.00 0.00 H new ATOM 411 N PHE A 27 3.457 4.122 -6.853 1.00 0.00 N ATOM 412 CA PHE A 27 2.152 4.736 -7.066 1.00 0.00 C ATOM 413 C PHE A 27 2.176 6.224 -6.736 1.00 0.00 C ATOM 414 O PHE A 27 2.960 6.674 -5.900 1.00 0.00 O ATOM 415 CB PHE A 27 1.093 4.029 -6.216 1.00 0.00 C ATOM 416 CG PHE A 27 1.507 3.827 -4.785 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.331 4.833 -3.850 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.070 2.630 -4.378 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.710 4.648 -2.534 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.451 2.438 -3.064 1.00 0.00 C ATOM 421 CZ PHE A 27 2.270 3.449 -2.140 1.00 0.00 C ATOM 0 H PHE A 27 4.107 4.685 -6.304 1.00 0.00 H new ATOM 0 HA PHE A 27 1.900 4.629 -8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.172 4.611 -6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.870 3.060 -6.661 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.893 5.773 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.213 1.836 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.568 5.441 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.890 1.499 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.566 3.302 -1.112 1.00 0.00 H new ATOM 431 N SER A 28 1.309 6.979 -7.402 1.00 0.00 N ATOM 432 CA SER A 28 1.214 8.417 -7.185 1.00 0.00 C ATOM 433 C SER A 28 -0.226 8.814 -6.880 1.00 0.00 C ATOM 434 O SER A 28 -1.156 8.077 -7.201 1.00 0.00 O ATOM 435 CB SER A 28 1.716 9.176 -8.415 1.00 0.00 C ATOM 436 OG SER A 28 3.073 8.869 -8.686 1.00 0.00 O ATOM 0 H SER A 28 0.659 6.616 -8.100 1.00 0.00 H new ATOM 0 HA SER A 28 1.839 8.678 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.103 8.920 -9.279 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.608 10.249 -8.253 1.00 0.00 H new ATOM 0 HG SER A 28 3.369 9.365 -9.477 1.00 0.00 H new ATOM 442 N LYS A 29 -0.397 9.974 -6.250 1.00 0.00 N ATOM 443 CA LYS A 29 -1.726 10.476 -5.900 1.00 0.00 C ATOM 444 C LYS A 29 -2.707 10.299 -7.056 1.00 0.00 C ATOM 445 O LYS A 29 -2.715 11.088 -8.001 1.00 0.00 O ATOM 446 CB LYS A 29 -1.645 11.952 -5.507 1.00 0.00 C ATOM 447 CG LYS A 29 -2.971 12.537 -5.047 1.00 0.00 C ATOM 448 CD LYS A 29 -2.824 13.989 -4.614 1.00 0.00 C ATOM 449 CE LYS A 29 -2.535 14.900 -5.797 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.652 14.902 -6.783 1.00 0.00 N ATOM 0 H LYS A 29 0.369 10.586 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.091 9.896 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.911 12.066 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.281 12.526 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.699 12.470 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.361 11.947 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.738 14.315 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.018 14.072 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.364 15.916 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.617 14.577 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.560 15.726 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.617 14.030 -7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.560 14.951 -6.279 1.00 0.00 H new ATOM 464 N GLY A 30 -3.530 9.256 -6.975 1.00 0.00 N ATOM 465 CA GLY A 30 -4.502 8.995 -8.021 1.00 0.00 C ATOM 466 C GLY A 30 -4.620 7.520 -8.359 1.00 0.00 C ATOM 467 O GLY A 30 -5.726 7.001 -8.516 1.00 0.00 O ATOM 0 H GLY A 30 -3.540 8.588 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.476 9.370 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.221 9.547 -8.918 1.00 0.00 H new ATOM 471 N ASP A 31 -3.480 6.843 -8.472 1.00 0.00 N ATOM 472 CA ASP A 31 -3.461 5.420 -8.799 1.00 0.00 C ATOM 473 C ASP A 31 -4.240 4.605 -7.770 1.00 0.00 C ATOM 474 O ASP A 31 -3.920 4.616 -6.582 1.00 0.00 O ATOM 475 CB ASP A 31 -2.020 4.909 -8.887 1.00 0.00 C ATOM 476 CG ASP A 31 -1.232 5.596 -9.984 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.656 6.672 -9.717 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.192 5.061 -11.112 1.00 0.00 O ATOM 0 H ASP A 31 -2.557 7.257 -8.342 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.943 5.297 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.522 5.068 -7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.028 3.834 -9.067 1.00 0.00 H new ATOM 483 N VAL A 32 -5.266 3.900 -8.241 1.00 0.00 N ATOM 484 CA VAL A 32 -6.098 3.075 -7.371 1.00 0.00 C ATOM 485 C VAL A 32 -5.559 1.649 -7.299 1.00 0.00 C ATOM 486 O VAL A 32 -5.439 0.972 -8.320 1.00 0.00 O ATOM 487 CB VAL A 32 -7.558 3.040 -7.866 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.447 2.307 -6.874 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.073 4.451 -8.112 1.00 0.00 C ATOM 0 H VAL A 32 -5.541 3.884 -9.223 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.071 3.522 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.586 2.496 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.472 2.295 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.092 1.283 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.415 2.817 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.105 4.406 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.028 5.022 -7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.456 4.937 -8.867 1.00 0.00 H new ATOM 499 N ILE A 33 -5.243 1.197 -6.090 1.00 0.00 N ATOM 500 CA ILE A 33 -4.705 -0.146 -5.892 1.00 0.00 C ATOM 501 C ILE A 33 -5.695 -1.044 -5.158 1.00 0.00 C ATOM 502 O ILE A 33 -6.361 -0.614 -4.217 1.00 0.00 O ATOM 503 CB ILE A 33 -3.383 -0.107 -5.099 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.371 0.797 -5.804 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.821 -1.513 -4.930 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.123 1.066 -4.990 1.00 0.00 C ATOM 0 H ILE A 33 -5.350 1.739 -5.233 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.520 -0.557 -6.884 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.582 0.302 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.085 0.338 -6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.850 1.747 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.888 -1.467 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.540 -2.130 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.633 -1.950 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.453 1.714 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.397 1.554 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.620 0.124 -4.774 1.00 0.00 H new ATOM 518 N HIS A 34 -5.783 -2.294 -5.601 1.00 0.00 N ATOM 519 CA HIS A 34 -6.680 -3.263 -4.983 1.00 0.00 C ATOM 520 C HIS A 34 -5.939 -4.080 -3.929 1.00 0.00 C ATOM 521 O HIS A 34 -4.943 -4.739 -4.229 1.00 0.00 O ATOM 522 CB HIS A 34 -7.275 -4.190 -6.044 1.00 0.00 C ATOM 523 CG HIS A 34 -8.074 -3.471 -7.086 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.660 -3.336 -8.395 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.275 -2.848 -7.008 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.569 -2.661 -9.075 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.559 -2.355 -8.258 1.00 0.00 N ATOM 0 H HIS A 34 -5.244 -2.659 -6.386 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.491 -2.720 -4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.468 -4.738 -6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.911 -4.928 -5.555 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.893 -2.756 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.512 -2.403 -10.122 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.399 -1.836 -8.513 1.00 0.00 H new ATOM 536 N VAL A 35 -6.430 -4.033 -2.695 1.00 0.00 N ATOM 537 CA VAL A 35 -5.809 -4.761 -1.595 1.00 0.00 C ATOM 538 C VAL A 35 -6.090 -6.258 -1.690 1.00 0.00 C ATOM 539 O VAL A 35 -7.199 -6.675 -2.022 1.00 0.00 O ATOM 540 CB VAL A 35 -6.304 -4.241 -0.232 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.593 -4.952 0.909 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.110 -2.736 -0.134 1.00 0.00 C ATOM 0 H VAL A 35 -7.257 -3.498 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.735 -4.595 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.370 -4.456 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.959 -4.568 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.790 -6.022 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.520 -4.776 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.465 -2.386 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.052 -2.498 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.674 -2.244 -0.926 1.00 0.00 H new ATOM 552 N THR A 36 -5.072 -7.060 -1.397 1.00 0.00 N ATOM 553 CA THR A 36 -5.198 -8.511 -1.440 1.00 0.00 C ATOM 554 C THR A 36 -4.967 -9.110 -0.058 1.00 0.00 C ATOM 555 O THR A 36 -5.430 -10.210 0.241 1.00 0.00 O ATOM 556 CB THR A 36 -4.197 -9.133 -2.431 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.857 -8.916 -1.972 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.364 -8.533 -3.817 1.00 0.00 C ATOM 0 H THR A 36 -4.147 -6.727 -1.126 1.00 0.00 H new ATOM 0 HA THR A 36 -6.211 -8.738 -1.774 1.00 0.00 H new ATOM 0 HB THR A 36 -4.394 -10.203 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.773 -8.002 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.646 -8.988 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.376 -8.722 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.190 -7.458 -3.771 1.00 0.00 H new ATOM 566 N ARG A 37 -4.248 -8.367 0.779 1.00 0.00 N ATOM 567 CA ARG A 37 -3.944 -8.806 2.138 1.00 0.00 C ATOM 568 C ARG A 37 -3.824 -7.604 3.070 1.00 0.00 C ATOM 569 O ARG A 37 -2.931 -6.771 2.910 1.00 0.00 O ATOM 570 CB ARG A 37 -2.643 -9.612 2.160 1.00 0.00 C ATOM 571 CG ARG A 37 -2.715 -10.916 1.383 1.00 0.00 C ATOM 572 CD ARG A 37 -1.381 -11.644 1.387 1.00 0.00 C ATOM 573 NE ARG A 37 -1.444 -12.899 0.643 1.00 0.00 N ATOM 574 CZ ARG A 37 -0.395 -13.457 0.044 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.794 -12.874 0.102 1.00 0.00 N ATOM 576 NH2 ARG A 37 -0.535 -14.599 -0.615 1.00 0.00 N ATOM 0 H ARG A 37 -3.863 -7.454 0.538 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.759 -9.442 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.840 -8.999 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.380 -9.831 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.481 -11.557 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.016 -10.712 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.615 -11.002 0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.081 -11.846 2.415 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.344 -13.375 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.907 -11.995 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.596 -13.304 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.448 -15.051 -0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.270 -15.025 -1.074 1.00 0.00 H new ATOM 590 N VAL A 38 -4.729 -7.518 4.042 1.00 0.00 N ATOM 591 CA VAL A 38 -4.723 -6.412 4.993 1.00 0.00 C ATOM 592 C VAL A 38 -4.387 -6.894 6.402 1.00 0.00 C ATOM 593 O VAL A 38 -5.120 -7.688 6.993 1.00 0.00 O ATOM 594 CB VAL A 38 -6.082 -5.676 5.005 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.232 -6.661 5.133 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.129 -4.643 6.123 1.00 0.00 C ATOM 0 H VAL A 38 -5.473 -8.199 4.191 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.950 -5.715 4.668 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.189 -5.153 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.177 -6.118 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.215 -7.351 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.129 -7.221 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.095 -4.138 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.991 -5.140 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.335 -3.911 5.976 1.00 0.00 H new ATOM 650 N TRP A 43 2.355 -3.517 6.753 1.00 0.00 N ATOM 651 CA TRP A 43 2.517 -3.510 5.303 1.00 0.00 C ATOM 652 C TRP A 43 1.372 -4.248 4.619 1.00 0.00 C ATOM 653 O TRP A 43 1.041 -5.377 4.983 1.00 0.00 O ATOM 654 CB TRP A 43 3.850 -4.150 4.913 1.00 0.00 C ATOM 655 CG TRP A 43 4.990 -3.180 4.873 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.829 -2.854 5.901 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.419 -2.414 3.743 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.754 -1.931 5.478 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.524 -1.644 4.156 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.976 -2.303 2.421 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.192 -0.777 3.295 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.641 -1.441 1.567 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.738 -0.689 2.007 1.00 0.00 C ATOM 0 HA TRP A 43 2.506 -2.472 4.971 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.084 -4.944 5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.747 -4.617 3.934 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.773 -3.262 6.899 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.492 -1.525 6.053 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.131 -2.879 2.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.037 -0.195 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.309 -1.346 0.544 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.236 -0.026 1.315 1.00 0.00 H new ATOM 674 N TRP A 44 0.769 -3.601 3.625 1.00 0.00 N ATOM 675 CA TRP A 44 -0.339 -4.193 2.882 1.00 0.00 C ATOM 676 C TRP A 44 0.082 -4.516 1.453 1.00 0.00 C ATOM 677 O TRP A 44 0.760 -3.724 0.803 1.00 0.00 O ATOM 678 CB TRP A 44 -1.541 -3.241 2.862 1.00 0.00 C ATOM 679 CG TRP A 44 -2.130 -2.964 4.215 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.719 -3.468 5.418 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.247 -2.114 4.499 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.508 -2.978 6.429 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.453 -2.146 5.891 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.092 -1.327 3.711 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.469 -1.421 6.509 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.100 -0.609 4.326 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.281 -0.660 5.714 1.00 0.00 C ATOM 0 H TRP A 44 1.030 -2.665 3.315 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.625 -5.118 3.383 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.235 -2.297 2.411 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.315 -3.664 2.221 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.894 -4.152 5.553 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.407 -3.198 7.420 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.959 -1.281 2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.611 -1.458 7.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.759 0.001 3.727 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.078 -0.087 6.165 1.00 0.00 H new ATOM 698 N GLU A 45 -0.327 -5.682 0.967 1.00 0.00 N ATOM 699 CA GLU A 45 0.004 -6.103 -0.390 1.00 0.00 C ATOM 700 C GLU A 45 -1.198 -5.940 -1.314 1.00 0.00 C ATOM 701 O GLU A 45 -2.343 -6.084 -0.886 1.00 0.00 O ATOM 702 CB GLU A 45 0.470 -7.561 -0.398 1.00 0.00 C ATOM 703 CG GLU A 45 0.946 -8.042 -1.760 1.00 0.00 C ATOM 704 CD GLU A 45 1.342 -9.505 -1.756 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.466 -10.358 -2.015 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.527 -9.799 -1.492 1.00 0.00 O ATOM 0 H GLU A 45 -0.888 -6.353 1.492 1.00 0.00 H new ATOM 0 HA GLU A 45 0.813 -5.469 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.279 -7.679 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.349 -8.197 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.155 -7.886 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.798 -7.440 -2.077 1.00 0.00 H new ATOM 713 N GLY A 46 -0.932 -5.640 -2.582 1.00 0.00 N ATOM 714 CA GLY A 46 -2.007 -5.463 -3.539 1.00 0.00 C ATOM 715 C GLY A 46 -1.543 -5.615 -4.973 1.00 0.00 C ATOM 716 O GLY A 46 -0.407 -6.017 -5.228 1.00 0.00 O ATOM 0 H GLY A 46 0.007 -5.517 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.792 -6.191 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.447 -4.475 -3.406 1.00 0.00 H new ATOM 720 N THR A 47 -2.426 -5.293 -5.913 1.00 0.00 N ATOM 721 CA THR A 47 -2.109 -5.399 -7.331 1.00 0.00 C ATOM 722 C THR A 47 -2.502 -4.129 -8.082 1.00 0.00 C ATOM 723 O THR A 47 -3.455 -3.443 -7.708 1.00 0.00 O ATOM 724 CB THR A 47 -2.820 -6.608 -7.972 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.433 -7.813 -7.302 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.488 -6.719 -9.453 1.00 0.00 C ATOM 0 H THR A 47 -3.368 -4.956 -5.717 1.00 0.00 H new ATOM 0 HA THR A 47 -1.031 -5.538 -7.407 1.00 0.00 H new ATOM 0 HB THR A 47 -3.895 -6.460 -7.870 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.889 -8.577 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.003 -7.580 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.810 -5.813 -9.967 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.412 -6.843 -9.576 1.00 0.00 H new ATOM 734 N LEU A 48 -1.760 -3.823 -9.143 1.00 0.00 N ATOM 735 CA LEU A 48 -2.027 -2.644 -9.957 1.00 0.00 C ATOM 736 C LEU A 48 -1.629 -2.897 -11.408 1.00 0.00 C ATOM 737 O LEU A 48 -0.883 -3.833 -11.699 1.00 0.00 O ATOM 738 CB LEU A 48 -1.276 -1.426 -9.404 1.00 0.00 C ATOM 739 CG LEU A 48 -1.575 -0.098 -10.108 1.00 0.00 C ATOM 740 CD1 LEU A 48 -3.064 0.211 -10.069 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.784 1.034 -9.470 1.00 0.00 C ATOM 0 H LEU A 48 -0.966 -4.379 -9.459 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.097 -2.437 -9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.518 -1.320 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.205 -1.620 -9.469 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.271 -0.191 -11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.252 1.158 -10.575 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.614 -0.584 -10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.394 0.281 -9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.009 1.969 -9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.058 1.122 -8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.282 0.823 -9.551 1.00 0.00 H new ATOM 753 N ASN A 49 -2.137 -2.064 -12.312 1.00 0.00 N ATOM 754 CA ASN A 49 -1.845 -2.199 -13.737 1.00 0.00 C ATOM 755 C ASN A 49 -0.343 -2.276 -14.001 1.00 0.00 C ATOM 756 O ASN A 49 0.349 -1.257 -14.021 1.00 0.00 O ATOM 757 CB ASN A 49 -2.448 -1.025 -14.511 1.00 0.00 C ATOM 758 CG ASN A 49 -3.954 -0.938 -14.352 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.708 -1.529 -15.125 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.400 -0.194 -13.345 1.00 0.00 N ATOM 0 H ASN A 49 -2.755 -1.286 -12.082 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.294 -3.132 -14.079 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.995 -0.095 -14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.203 -1.126 -15.568 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.403 -0.096 -13.189 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.739 0.279 -12.728 1.00 0.00 H new ATOM 767 N GLY A 50 0.155 -3.494 -14.201 1.00 0.00 N ATOM 768 CA GLY A 50 1.568 -3.689 -14.479 1.00 0.00 C ATOM 769 C GLY A 50 2.445 -3.589 -13.243 1.00 0.00 C ATOM 770 O GLY A 50 3.605 -4.002 -13.269 1.00 0.00 O ATOM 0 H GLY A 50 -0.397 -4.351 -14.175 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.709 -4.668 -14.937 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.893 -2.946 -15.207 1.00 0.00 H new ATOM 774 N ARG A 51 1.900 -3.044 -12.161 1.00 0.00 N ATOM 775 CA ARG A 51 2.654 -2.894 -10.922 1.00 0.00 C ATOM 776 C ARG A 51 2.097 -3.804 -9.832 1.00 0.00 C ATOM 777 O ARG A 51 0.918 -3.727 -9.490 1.00 0.00 O ATOM 778 CB ARG A 51 2.626 -1.438 -10.454 1.00 0.00 C ATOM 779 CG ARG A 51 3.276 -0.471 -11.432 1.00 0.00 C ATOM 780 CD ARG A 51 3.101 0.973 -10.986 1.00 0.00 C ATOM 781 NE ARG A 51 3.554 1.922 -12.002 1.00 0.00 N ATOM 782 CZ ARG A 51 3.394 3.239 -11.906 1.00 0.00 C ATOM 783 NH1 ARG A 51 2.799 3.762 -10.843 1.00 0.00 N ATOM 784 NH2 ARG A 51 3.829 4.036 -12.875 1.00 0.00 N ATOM 0 H ARG A 51 0.941 -2.699 -12.117 1.00 0.00 H new ATOM 0 HA ARG A 51 3.686 -3.183 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.591 -1.137 -10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.133 -1.365 -9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.338 -0.700 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.838 -0.603 -12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.051 1.158 -10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.658 1.137 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 51 4.019 1.553 -12.831 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.463 3.154 -10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.678 4.772 -10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.287 3.639 -13.695 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.705 5.046 -12.799 1.00 0.00 H new ATOM 798 N THR A 52 2.953 -4.664 -9.289 1.00 0.00 N ATOM 799 CA THR A 52 2.544 -5.588 -8.237 1.00 0.00 C ATOM 800 C THR A 52 3.585 -5.645 -7.124 1.00 0.00 C ATOM 801 O THR A 52 4.785 -5.716 -7.386 1.00 0.00 O ATOM 802 CB THR A 52 2.323 -7.010 -8.789 1.00 0.00 C ATOM 803 OG1 THR A 52 1.388 -6.973 -9.873 1.00 0.00 O ATOM 804 CG2 THR A 52 1.805 -7.939 -7.700 1.00 0.00 C ATOM 0 H THR A 52 3.933 -4.740 -9.560 1.00 0.00 H new ATOM 0 HA THR A 52 1.603 -5.213 -7.836 1.00 0.00 H new ATOM 0 HB THR A 52 3.280 -7.391 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.253 -7.880 -10.220 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.657 -8.937 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.530 -7.987 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.857 -7.560 -7.319 1.00 0.00 H new ATOM 812 N GLY A 53 3.114 -5.615 -5.880 1.00 0.00 N ATOM 813 CA GLY A 53 4.017 -5.665 -4.744 1.00 0.00 C ATOM 814 C GLY A 53 3.398 -5.095 -3.484 1.00 0.00 C ATOM 815 O GLY A 53 2.209 -4.774 -3.457 1.00 0.00 O ATOM 0 H GLY A 53 2.125 -5.557 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.312 -6.699 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.925 -5.111 -4.981 1.00 0.00 H new ATOM 819 N TRP A 54 4.206 -4.970 -2.436 1.00 0.00 N ATOM 820 CA TRP A 54 3.734 -4.436 -1.165 1.00 0.00 C ATOM 821 C TRP A 54 3.701 -2.911 -1.190 1.00 0.00 C ATOM 822 O TRP A 54 4.387 -2.279 -1.995 1.00 0.00 O ATOM 823 CB TRP A 54 4.630 -4.917 -0.022 1.00 0.00 C ATOM 824 CG TRP A 54 4.575 -6.398 0.199 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.284 -7.355 -0.470 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.771 -7.092 1.159 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.968 -8.601 0.015 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.042 -8.466 1.016 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.847 -6.685 2.126 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.423 -9.434 1.803 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.233 -7.646 2.907 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.524 -9.006 2.742 1.00 0.00 C ATOM 0 H TRP A 54 5.192 -5.232 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 54 2.719 -4.800 -1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.660 -4.627 -0.232 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.337 -4.410 0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.990 -7.161 -1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.359 -9.483 -0.316 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.617 -5.638 2.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.644 -10.484 1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.517 -7.343 3.657 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.028 -9.732 3.369 1.00 0.00 H new ATOM 843 N PHE A 55 2.901 -2.328 -0.306 1.00 0.00 N ATOM 844 CA PHE A 55 2.780 -0.877 -0.221 1.00 0.00 C ATOM 845 C PHE A 55 2.434 -0.446 1.204 1.00 0.00 C ATOM 846 O PHE A 55 1.657 -1.115 1.888 1.00 0.00 O ATOM 847 CB PHE A 55 1.722 -0.364 -1.203 1.00 0.00 C ATOM 848 CG PHE A 55 0.342 -0.913 -0.962 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.536 -0.271 -0.104 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.076 -2.069 -1.600 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.805 -0.772 0.115 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.344 -2.574 -1.386 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.210 -1.926 -0.527 1.00 0.00 C ATOM 0 H PHE A 55 2.325 -2.838 0.364 1.00 0.00 H new ATOM 0 HA PHE A 55 3.742 -0.441 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.684 0.724 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.030 -0.617 -2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.225 0.632 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.597 -2.581 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.479 -0.262 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.658 -3.476 -1.891 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.201 -2.321 -0.358 1.00 0.00 H new ATOM 863 N PRO A 56 3.007 0.677 1.676 1.00 0.00 N ATOM 864 CA PRO A 56 2.751 1.182 3.030 1.00 0.00 C ATOM 865 C PRO A 56 1.277 1.493 3.265 1.00 0.00 C ATOM 866 O PRO A 56 0.552 1.849 2.337 1.00 0.00 O ATOM 867 CB PRO A 56 3.587 2.466 3.110 1.00 0.00 C ATOM 868 CG PRO A 56 3.882 2.833 1.697 1.00 0.00 C ATOM 869 CD PRO A 56 3.943 1.542 0.937 1.00 0.00 C ATOM 0 HA PRO A 56 3.013 0.444 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.039 3.261 3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.505 2.303 3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.108 3.486 1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.826 3.374 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.639 1.671 -0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.951 1.128 0.925 1.00 0.00 H new ATOM 877 N SER A 57 0.842 1.352 4.514 1.00 0.00 N ATOM 878 CA SER A 57 -0.545 1.619 4.876 1.00 0.00 C ATOM 879 C SER A 57 -0.721 3.065 5.328 1.00 0.00 C ATOM 880 O SER A 57 -1.831 3.596 5.328 1.00 0.00 O ATOM 881 CB SER A 57 -0.997 0.667 5.986 1.00 0.00 C ATOM 882 OG SER A 57 -2.321 0.954 6.398 1.00 0.00 O ATOM 0 H SER A 57 1.431 1.054 5.292 1.00 0.00 H new ATOM 0 HA SER A 57 -1.162 1.456 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.938 -0.362 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.322 0.750 6.838 1.00 0.00 H new ATOM 0 HG SER A 57 -2.863 0.139 6.348 1.00 0.00 H new ATOM 888 N ASN A 58 0.384 3.695 5.714 1.00 0.00 N ATOM 889 CA ASN A 58 0.355 5.081 6.170 1.00 0.00 C ATOM 890 C ASN A 58 0.456 6.048 4.994 1.00 0.00 C ATOM 891 O ASN A 58 0.211 7.245 5.140 1.00 0.00 O ATOM 892 CB ASN A 58 1.498 5.337 7.155 1.00 0.00 C ATOM 893 CG ASN A 58 1.417 4.446 8.379 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.332 4.050 8.802 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.571 4.125 8.954 1.00 0.00 N ATOM 0 H ASN A 58 1.310 3.268 5.720 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.597 5.251 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.451 5.173 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.478 6.381 7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.580 3.527 9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.448 4.476 8.569 1.00 0.00 H new ATOM 902 N TYR A 59 0.819 5.523 3.827 1.00 0.00 N ATOM 903 CA TYR A 59 0.949 6.341 2.625 1.00 0.00 C ATOM 904 C TYR A 59 -0.323 6.282 1.786 1.00 0.00 C ATOM 905 O TYR A 59 -0.493 7.056 0.844 1.00 0.00 O ATOM 906 CB TYR A 59 2.141 5.875 1.790 1.00 0.00 C ATOM 907 CG TYR A 59 3.228 6.916 1.648 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.915 7.384 2.761 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.570 7.425 0.403 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.912 8.334 2.636 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.565 8.375 0.270 1.00 0.00 C ATOM 912 CZ TYR A 59 5.233 8.826 1.388 1.00 0.00 C ATOM 913 OH TYR A 59 6.225 9.771 1.260 1.00 0.00 O ATOM 0 H TYR A 59 1.028 4.534 3.688 1.00 0.00 H new ATOM 0 HA TYR A 59 1.112 7.373 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.565 4.980 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.790 5.592 0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.667 7.000 3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.050 7.073 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.437 8.689 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.818 8.762 -0.706 1.00 0.00 H new ATOM 0 HH TYR A 59 6.328 10.011 0.316 1.00 0.00 H new ATOM 923 N VAL A 60 -1.209 5.358 2.133 1.00 0.00 N ATOM 924 CA VAL A 60 -2.466 5.192 1.414 1.00 0.00 C ATOM 925 C VAL A 60 -3.659 5.296 2.362 1.00 0.00 C ATOM 926 O VAL A 60 -3.499 5.241 3.581 1.00 0.00 O ATOM 927 CB VAL A 60 -2.508 3.838 0.680 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.455 3.794 -0.415 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.308 2.690 1.659 1.00 0.00 C ATOM 0 H VAL A 60 -1.080 4.710 2.910 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.528 5.995 0.679 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.490 3.728 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.499 2.831 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.643 4.592 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.467 3.928 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.341 1.743 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.340 2.795 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.099 2.709 2.409 1.00 0.00 H new ATOM 939 N ARG A 61 -4.854 5.446 1.797 1.00 0.00 N ATOM 940 CA ARG A 61 -6.069 5.563 2.598 1.00 0.00 C ATOM 941 C ARG A 61 -7.223 4.793 1.960 1.00 0.00 C ATOM 942 O ARG A 61 -7.394 4.811 0.740 1.00 0.00 O ATOM 943 CB ARG A 61 -6.456 7.034 2.771 1.00 0.00 C ATOM 944 CG ARG A 61 -6.753 7.745 1.462 1.00 0.00 C ATOM 945 CD ARG A 61 -7.084 9.212 1.686 1.00 0.00 C ATOM 946 NE ARG A 61 -8.215 9.387 2.594 1.00 0.00 N ATOM 947 CZ ARG A 61 -8.482 10.525 3.226 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.701 11.584 3.055 1.00 0.00 N ATOM 949 NH2 ARG A 61 -9.531 10.606 4.034 1.00 0.00 N ATOM 0 H ARG A 61 -5.007 5.489 0.789 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.867 5.131 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.333 7.096 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.647 7.556 3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.892 7.663 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.588 7.255 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.211 9.722 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.311 9.682 0.729 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.834 8.592 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.892 11.527 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.910 12.456 3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.133 9.794 4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.735 11.480 4.519 1.00 0.00 H new ATOM 963 N GLU A 62 -8.009 4.116 2.794 1.00 0.00 N ATOM 964 CA GLU A 62 -9.146 3.332 2.318 1.00 0.00 C ATOM 965 C GLU A 62 -10.092 4.180 1.471 1.00 0.00 C ATOM 966 O GLU A 62 -10.758 5.082 1.981 1.00 0.00 O ATOM 967 CB GLU A 62 -9.908 2.734 3.502 1.00 0.00 C ATOM 968 CG GLU A 62 -11.079 1.858 3.090 1.00 0.00 C ATOM 969 CD GLU A 62 -11.859 1.327 4.277 1.00 0.00 C ATOM 970 OE1 GLU A 62 -11.446 0.295 4.845 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.883 1.944 4.637 1.00 0.00 O ATOM 0 H GLU A 62 -7.879 4.095 3.805 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.757 2.528 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.219 2.145 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.275 3.543 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.748 2.431 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.710 1.020 2.499 1.00 0.00 H new ATOM 978 N VAL A 63 -10.145 3.884 0.176 1.00 0.00 N ATOM 979 CA VAL A 63 -11.018 4.611 -0.738 1.00 0.00 C ATOM 980 C VAL A 63 -12.275 3.803 -1.052 1.00 0.00 C ATOM 981 O VAL A 63 -12.223 2.577 -1.165 1.00 0.00 O ATOM 982 CB VAL A 63 -10.296 4.957 -2.057 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.917 3.693 -2.813 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.161 5.864 -2.920 1.00 0.00 C ATOM 0 H VAL A 63 -9.594 3.146 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.299 5.538 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.378 5.492 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.409 3.962 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.252 3.086 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.817 3.124 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.634 6.096 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.098 5.359 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.371 6.787 -2.380 1.00 0.00 H new