USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 876 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 106 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot -115:sc= -1.97 USER MOD Set 2.1: A 44 TYR OH : rot -177:sc= 1.45 USER MOD Set 2.2: A 114 CYS SG : rot -127:sc= -0.519 USER MOD Set 3.1: A 49 ASN : amide:sc= -2.64 K(o=-10,f=-4) USER MOD Set 3.2: A 53 GLN : amide:sc= -4.9! C(o=-10!,f=-4!) USER MOD Set 3.3: A 65 MET CE :methyl -146:sc= -2.46 (180deg=-3.75!) USER MOD Set 4.1: A 15 GLN : amide:sc= -0.331 X(o=-1.3,f=-1.1) USER MOD Set 4.2: A 18 SER OG : rot 37:sc= -0.971 USER MOD Single : A 23 CYS SG : rot -87:sc= -4.09! USER MOD Single : A 28 SER OG : rot 101:sc= -4.6! USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.23 K(o=-0.23,f=-2.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0886 USER MOD Single : A 40 GLN : amide:sc= -4.35! C(o=-4.3!,f=-5!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -127:sc= 0.886 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.147) USER MOD Single : A 75 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0553 USER MOD Single : A 92 MET CE :methyl -120:sc= -1.89 (180deg=-5.96!) USER MOD Single : A 94 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 160:sc= -0.0918 (180deg=-0.377) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 107 LYS NZ :NH3+ -96:sc= 0.264 (180deg=-1.25) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot -130:sc= -3.58 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N ASP A 12 2.701 14.255 4.033 1.00 0.00 N ATOM 152 CA ASP A 12 2.821 12.985 4.740 1.00 0.00 C ATOM 153 C ASP A 12 1.884 11.940 4.141 1.00 0.00 C ATOM 154 O ASP A 12 2.264 10.783 3.961 1.00 0.00 O ATOM 155 CB ASP A 12 2.513 13.173 6.227 1.00 0.00 C ATOM 156 CG ASP A 12 3.524 14.067 6.919 1.00 0.00 C ATOM 157 OD1 ASP A 12 3.423 15.304 6.771 1.00 0.00 O ATOM 158 OD2 ASP A 12 4.417 13.531 7.608 1.00 0.00 O ATOM 0 HA ASP A 12 3.847 12.632 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.517 13.602 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.497 12.200 6.718 1.00 0.00 H new ATOM 163 N ASP A 13 0.659 12.357 3.835 1.00 0.00 N ATOM 164 CA ASP A 13 -0.329 11.457 3.254 1.00 0.00 C ATOM 165 C ASP A 13 0.156 10.911 1.915 1.00 0.00 C ATOM 166 O ASP A 13 0.169 9.701 1.694 1.00 0.00 O ATOM 167 CB ASP A 13 -1.662 12.183 3.068 1.00 0.00 C ATOM 168 CG ASP A 13 -2.390 12.403 4.379 1.00 0.00 C ATOM 169 OD1 ASP A 13 -2.974 11.432 4.905 1.00 0.00 O ATOM 170 OD2 ASP A 13 -2.377 13.547 4.881 1.00 0.00 O ATOM 0 H ASP A 13 0.328 13.311 3.980 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.471 10.621 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.484 13.146 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.296 11.605 2.396 1.00 0.00 H new ATOM 175 N PHE A 14 0.560 11.815 1.028 1.00 0.00 N ATOM 176 CA PHE A 14 1.052 11.427 -0.289 1.00 0.00 C ATOM 177 C PHE A 14 2.311 10.577 -0.165 1.00 0.00 C ATOM 178 O PHE A 14 2.603 9.755 -1.034 1.00 0.00 O ATOM 179 CB PHE A 14 1.341 12.668 -1.137 1.00 0.00 C ATOM 180 CG PHE A 14 0.134 13.197 -1.858 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.387 12.525 -2.954 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.482 14.366 -1.439 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.497 13.011 -3.617 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.591 14.857 -2.099 1.00 0.00 C ATOM 185 CZ PHE A 14 -2.100 14.178 -3.190 1.00 0.00 C ATOM 0 H PHE A 14 0.556 12.821 1.197 1.00 0.00 H new ATOM 0 HA PHE A 14 0.279 10.835 -0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.743 13.452 -0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.114 12.427 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.080 11.612 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.090 14.899 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.893 12.479 -4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.060 15.770 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.968 14.559 -3.708 1.00 0.00 H new ATOM 195 N GLN A 15 3.048 10.771 0.926 1.00 0.00 N ATOM 196 CA GLN A 15 4.267 10.015 1.167 1.00 0.00 C ATOM 197 C GLN A 15 3.926 8.607 1.634 1.00 0.00 C ATOM 198 O GLN A 15 4.663 7.655 1.372 1.00 0.00 O ATOM 199 CB GLN A 15 5.132 10.718 2.216 1.00 0.00 C ATOM 200 CG GLN A 15 6.618 10.431 2.069 1.00 0.00 C ATOM 201 CD GLN A 15 7.278 11.301 1.018 1.00 0.00 C ATOM 202 OE1 GLN A 15 7.850 12.345 1.330 1.00 0.00 O ATOM 203 NE2 GLN A 15 7.201 10.874 -0.237 1.00 0.00 N ATOM 0 H GLN A 15 2.819 11.446 1.655 1.00 0.00 H new ATOM 0 HA GLN A 15 4.828 9.954 0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.969 11.794 2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.807 10.409 3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.111 10.589 3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.758 9.382 1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.717 10.002 -0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.626 11.418 -0.988 1.00 0.00 H new ATOM 212 N PHE A 16 2.798 8.482 2.325 1.00 0.00 N ATOM 213 CA PHE A 16 2.350 7.194 2.828 1.00 0.00 C ATOM 214 C PHE A 16 1.847 6.314 1.686 1.00 0.00 C ATOM 215 O PHE A 16 2.299 5.182 1.517 1.00 0.00 O ATOM 216 CB PHE A 16 1.246 7.387 3.874 1.00 0.00 C ATOM 217 CG PHE A 16 0.481 6.131 4.188 1.00 0.00 C ATOM 218 CD1 PHE A 16 -0.606 5.756 3.414 1.00 0.00 C ATOM 219 CD2 PHE A 16 0.849 5.325 5.255 1.00 0.00 C ATOM 220 CE1 PHE A 16 -1.311 4.601 3.697 1.00 0.00 C ATOM 221 CE2 PHE A 16 0.148 4.169 5.542 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.933 3.808 4.762 1.00 0.00 C ATOM 0 H PHE A 16 2.178 9.260 2.548 1.00 0.00 H new ATOM 0 HA PHE A 16 3.198 6.696 3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.691 7.769 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.550 8.146 3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.906 6.373 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.693 5.604 5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.156 4.320 3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.445 3.549 6.375 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.483 2.905 4.985 1.00 0.00 H new ATOM 232 N LEU A 17 0.907 6.840 0.907 1.00 0.00 N ATOM 233 CA LEU A 17 0.346 6.094 -0.213 1.00 0.00 C ATOM 234 C LEU A 17 1.433 5.739 -1.224 1.00 0.00 C ATOM 235 O LEU A 17 1.420 4.659 -1.809 1.00 0.00 O ATOM 236 CB LEU A 17 -0.777 6.894 -0.885 1.00 0.00 C ATOM 237 CG LEU A 17 -0.334 7.820 -2.019 1.00 0.00 C ATOM 238 CD1 LEU A 17 -0.546 7.150 -3.369 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.082 9.143 -1.956 1.00 0.00 C ATOM 0 H LEU A 17 0.519 7.775 1.030 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.077 5.166 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.514 6.194 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.279 7.493 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 17 0.730 8.023 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.225 7.823 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.038 6.231 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.603 6.915 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.752 9.787 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.153 8.960 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.878 9.631 -1.003 1.00 0.00 H new ATOM 251 N SER A 18 2.381 6.648 -1.422 1.00 0.00 N ATOM 252 CA SER A 18 3.471 6.405 -2.357 1.00 0.00 C ATOM 253 C SER A 18 4.248 5.168 -1.933 1.00 0.00 C ATOM 254 O SER A 18 4.763 4.422 -2.767 1.00 0.00 O ATOM 255 CB SER A 18 4.405 7.615 -2.424 1.00 0.00 C ATOM 256 OG SER A 18 4.612 8.171 -1.139 1.00 0.00 O ATOM 0 H SER A 18 2.417 7.552 -0.952 1.00 0.00 H new ATOM 0 HA SER A 18 3.049 6.242 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.362 7.316 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.981 8.370 -3.086 1.00 0.00 H new ATOM 0 HG SER A 18 4.660 7.452 -0.475 1.00 0.00 H new ATOM 262 N ASP A 19 4.319 4.955 -0.624 1.00 0.00 N ATOM 263 CA ASP A 19 5.021 3.809 -0.069 1.00 0.00 C ATOM 264 C ASP A 19 4.191 2.537 -0.204 1.00 0.00 C ATOM 265 O ASP A 19 4.740 1.438 -0.267 1.00 0.00 O ATOM 266 CB ASP A 19 5.364 4.056 1.401 1.00 0.00 C ATOM 267 CG ASP A 19 6.413 3.092 1.919 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.509 3.030 1.324 1.00 0.00 O ATOM 269 OD2 ASP A 19 6.138 2.398 2.920 1.00 0.00 O ATOM 0 H ASP A 19 3.896 5.566 0.074 1.00 0.00 H new ATOM 0 HA ASP A 19 5.944 3.676 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.723 5.078 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.460 3.963 2.003 1.00 0.00 H new ATOM 274 N VAL A 20 2.864 2.680 -0.252 1.00 0.00 N ATOM 275 CA VAL A 20 2.000 1.511 -0.385 1.00 0.00 C ATOM 276 C VAL A 20 2.137 0.912 -1.778 1.00 0.00 C ATOM 277 O VAL A 20 2.021 -0.298 -1.960 1.00 0.00 O ATOM 278 CB VAL A 20 0.519 1.826 -0.077 1.00 0.00 C ATOM 279 CG1 VAL A 20 0.413 2.602 1.225 1.00 0.00 C ATOM 280 CG2 VAL A 20 -0.155 2.583 -1.219 1.00 0.00 C ATOM 0 H VAL A 20 2.375 3.574 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 20 2.329 0.784 0.358 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.009 0.878 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.634 2.820 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.830 2.007 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.968 3.536 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.194 2.783 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.365 3.526 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.117 1.981 -2.127 1.00 0.00 H new ATOM 290 N LEU A 21 2.418 1.769 -2.753 1.00 0.00 N ATOM 291 CA LEU A 21 2.611 1.324 -4.123 1.00 0.00 C ATOM 292 C LEU A 21 3.971 0.648 -4.245 1.00 0.00 C ATOM 293 O LEU A 21 4.196 -0.175 -5.133 1.00 0.00 O ATOM 294 CB LEU A 21 2.521 2.507 -5.089 1.00 0.00 C ATOM 295 CG LEU A 21 1.340 3.450 -4.849 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.661 4.850 -5.351 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.085 2.910 -5.521 1.00 0.00 C ATOM 0 H LEU A 21 2.517 2.775 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 21 1.827 0.613 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.445 3.082 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.458 2.122 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 21 1.157 3.509 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.809 5.505 -5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.533 5.235 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.872 4.814 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.746 3.592 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.256 2.822 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.155 1.929 -5.110 1.00 0.00 H new ATOM 309 N ASP A 22 4.872 1.001 -3.329 1.00 0.00 N ATOM 310 CA ASP A 22 6.210 0.434 -3.306 1.00 0.00 C ATOM 311 C ASP A 22 6.201 -0.942 -2.646 1.00 0.00 C ATOM 312 O ASP A 22 7.090 -1.758 -2.886 1.00 0.00 O ATOM 313 CB ASP A 22 7.169 1.364 -2.560 1.00 0.00 C ATOM 314 CG ASP A 22 7.640 2.519 -3.422 1.00 0.00 C ATOM 315 OD1 ASP A 22 6.955 2.835 -4.418 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.693 3.108 -3.101 1.00 0.00 O ATOM 0 H ASP A 22 4.693 1.682 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 22 6.551 0.324 -4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.674 1.755 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.032 0.793 -2.218 1.00 0.00 H new ATOM 321 N CYS A 23 5.189 -1.196 -1.810 1.00 0.00 N ATOM 322 CA CYS A 23 5.073 -2.480 -1.120 1.00 0.00 C ATOM 323 C CYS A 23 5.267 -3.642 -2.094 1.00 0.00 C ATOM 324 O CYS A 23 5.331 -3.443 -3.307 1.00 0.00 O ATOM 325 CB CYS A 23 3.712 -2.590 -0.418 1.00 0.00 C ATOM 326 SG CYS A 23 2.347 -3.120 -1.485 1.00 0.00 S ATOM 0 H CYS A 23 4.444 -0.533 -1.597 1.00 0.00 H new ATOM 0 HA CYS A 23 5.859 -2.533 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.802 -3.294 0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.462 -1.621 0.013 1.00 0.00 H new ATOM 0 HG CYS A 23 1.823 -2.082 -2.068 1.00 0.00 H new ATOM 332 N ARG A 24 5.365 -4.851 -1.556 1.00 0.00 N ATOM 333 CA ARG A 24 5.561 -6.035 -2.388 1.00 0.00 C ATOM 334 C ARG A 24 4.268 -6.835 -2.537 1.00 0.00 C ATOM 335 O ARG A 24 4.097 -7.571 -3.509 1.00 0.00 O ATOM 336 CB ARG A 24 6.661 -6.918 -1.798 1.00 0.00 C ATOM 337 CG ARG A 24 8.009 -6.738 -2.476 1.00 0.00 C ATOM 338 CD ARG A 24 8.442 -5.280 -2.483 1.00 0.00 C ATOM 339 NE ARG A 24 9.507 -5.030 -3.453 1.00 0.00 N ATOM 340 CZ ARG A 24 10.312 -3.970 -3.414 1.00 0.00 C ATOM 341 NH1 ARG A 24 10.177 -3.059 -2.459 1.00 0.00 N ATOM 342 NH2 ARG A 24 11.254 -3.820 -4.335 1.00 0.00 N ATOM 0 H ARG A 24 5.313 -5.039 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 24 5.863 -5.699 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.764 -6.696 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.360 -7.962 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.759 -7.338 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.954 -7.107 -3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.585 -4.648 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.785 -4.999 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 24 9.641 -5.707 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.453 -3.168 -1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.797 -2.249 -2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.362 -4.516 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.871 -3.008 -4.306 1.00 0.00 H new ATOM 356 N ALA A 25 3.362 -6.691 -1.576 1.00 0.00 N ATOM 357 CA ALA A 25 2.094 -7.410 -1.618 1.00 0.00 C ATOM 358 C ALA A 25 0.936 -6.523 -1.175 1.00 0.00 C ATOM 359 O ALA A 25 1.076 -5.710 -0.261 1.00 0.00 O ATOM 360 CB ALA A 25 2.167 -8.659 -0.752 1.00 0.00 C ATOM 0 H ALA A 25 3.481 -6.087 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 25 1.910 -7.705 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.214 -9.186 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.958 -9.312 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.381 -8.375 0.278 1.00 0.00 H new ATOM 366 N VAL A 26 -0.209 -6.693 -1.827 1.00 0.00 N ATOM 367 CA VAL A 26 -1.399 -5.917 -1.503 1.00 0.00 C ATOM 368 C VAL A 26 -2.584 -6.834 -1.222 1.00 0.00 C ATOM 369 O VAL A 26 -3.091 -7.505 -2.121 1.00 0.00 O ATOM 370 CB VAL A 26 -1.767 -4.948 -2.643 1.00 0.00 C ATOM 371 CG1 VAL A 26 -2.940 -4.067 -2.239 1.00 0.00 C ATOM 372 CG2 VAL A 26 -0.565 -4.103 -3.034 1.00 0.00 C ATOM 0 H VAL A 26 -0.338 -7.363 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.170 -5.337 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.067 -5.535 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.185 -3.390 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.804 -4.692 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.672 -3.487 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.844 -3.425 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.231 -3.525 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.243 -4.753 -3.370 1.00 0.00 H new ATOM 382 N ARG A 27 -3.019 -6.863 0.034 1.00 0.00 N ATOM 383 CA ARG A 27 -4.141 -7.705 0.434 1.00 0.00 C ATOM 384 C ARG A 27 -5.003 -7.006 1.481 1.00 0.00 C ATOM 385 O ARG A 27 -4.767 -5.849 1.822 1.00 0.00 O ATOM 386 CB ARG A 27 -3.629 -9.038 0.981 1.00 0.00 C ATOM 387 CG ARG A 27 -3.502 -10.125 -0.074 1.00 0.00 C ATOM 388 CD ARG A 27 -4.836 -10.420 -0.743 1.00 0.00 C ATOM 389 NE ARG A 27 -4.730 -10.404 -2.201 1.00 0.00 N ATOM 390 CZ ARG A 27 -5.352 -9.529 -2.991 1.00 0.00 C ATOM 391 NH1 ARG A 27 -6.142 -8.593 -2.479 1.00 0.00 N ATOM 392 NH2 ARG A 27 -5.185 -9.593 -4.305 1.00 0.00 N ATOM 0 H ARG A 27 -2.612 -6.314 0.791 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.757 -7.892 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.656 -8.880 1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.304 -9.382 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.777 -9.817 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.117 -11.035 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.198 -11.395 -0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.573 -9.683 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.141 -11.109 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.279 -8.537 -1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.612 -7.930 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.582 -10.310 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.659 -8.925 -4.913 1.00 0.00 H new ATOM 406 N SER A 28 -6.005 -7.719 1.988 1.00 0.00 N ATOM 407 CA SER A 28 -6.903 -7.168 2.996 1.00 0.00 C ATOM 408 C SER A 28 -6.739 -7.894 4.328 1.00 0.00 C ATOM 409 O SER A 28 -6.561 -9.111 4.363 1.00 0.00 O ATOM 410 CB SER A 28 -8.355 -7.268 2.525 1.00 0.00 C ATOM 411 OG SER A 28 -8.447 -7.109 1.120 1.00 0.00 O ATOM 0 H SER A 28 -6.215 -8.680 1.717 1.00 0.00 H new ATOM 0 HA SER A 28 -6.645 -6.119 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.768 -8.235 2.813 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.955 -6.505 3.021 1.00 0.00 H new ATOM 0 HG SER A 28 -8.545 -7.988 0.697 1.00 0.00 H new ATOM 417 N ALA A 29 -6.799 -7.141 5.421 1.00 0.00 N ATOM 418 CA ALA A 29 -6.660 -7.716 6.753 1.00 0.00 C ATOM 419 C ALA A 29 -7.762 -8.729 7.024 1.00 0.00 C ATOM 420 O ALA A 29 -7.494 -9.870 7.399 1.00 0.00 O ATOM 421 CB ALA A 29 -6.676 -6.621 7.811 1.00 0.00 C ATOM 0 H ALA A 29 -6.943 -6.131 5.410 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.701 -8.233 6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.571 -7.068 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.849 -5.933 7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.619 -6.077 7.757 1.00 0.00 H new ATOM 427 N MET A 30 -9.008 -8.305 6.827 1.00 0.00 N ATOM 428 CA MET A 30 -10.155 -9.179 7.045 1.00 0.00 C ATOM 429 C MET A 30 -10.006 -10.481 6.262 1.00 0.00 C ATOM 430 O MET A 30 -10.561 -11.513 6.639 1.00 0.00 O ATOM 431 CB MET A 30 -11.448 -8.470 6.637 1.00 0.00 C ATOM 432 CG MET A 30 -12.026 -7.584 7.730 1.00 0.00 C ATOM 433 SD MET A 30 -10.844 -6.367 8.339 1.00 0.00 S ATOM 434 CE MET A 30 -10.923 -6.669 10.102 1.00 0.00 C ATOM 0 H MET A 30 -9.248 -7.363 6.517 1.00 0.00 H new ATOM 0 HA MET A 30 -10.200 -9.419 8.107 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.256 -7.863 5.752 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.190 -9.218 6.356 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.906 -7.069 7.346 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.358 -8.208 8.560 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.244 -5.990 10.618 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.941 -6.502 10.455 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.632 -7.699 10.308 1.00 0.00 H new ATOM 444 N ASN A 31 -9.244 -10.425 5.172 1.00 0.00 N ATOM 445 CA ASN A 31 -9.014 -11.597 4.335 1.00 0.00 C ATOM 446 C ASN A 31 -7.663 -11.497 3.632 1.00 0.00 C ATOM 447 O ASN A 31 -7.595 -11.255 2.427 1.00 0.00 O ATOM 448 CB ASN A 31 -10.134 -11.742 3.303 1.00 0.00 C ATOM 449 CG ASN A 31 -11.304 -12.551 3.829 1.00 0.00 C ATOM 450 OD1 ASN A 31 -11.146 -13.381 4.724 1.00 0.00 O ATOM 451 ND2 ASN A 31 -12.486 -12.311 3.274 1.00 0.00 N ATOM 0 H ASN A 31 -8.775 -9.579 4.849 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.009 -12.480 4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.483 -10.752 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.739 -12.220 2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.310 -12.824 3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.570 -11.613 2.535 1.00 0.00 H new ATOM 458 N LEU A 32 -6.590 -11.680 4.394 1.00 0.00 N ATOM 459 CA LEU A 32 -5.239 -11.604 3.847 1.00 0.00 C ATOM 460 C LEU A 32 -4.891 -12.859 3.049 1.00 0.00 C ATOM 461 O LEU A 32 -3.952 -12.856 2.253 1.00 0.00 O ATOM 462 CB LEU A 32 -4.221 -11.396 4.974 1.00 0.00 C ATOM 463 CG LEU A 32 -3.478 -10.059 4.933 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.614 -9.885 6.172 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.630 -9.962 3.675 1.00 0.00 C ATOM 0 H LEU A 32 -6.629 -11.882 5.393 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.200 -10.752 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.738 -11.479 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.489 -12.203 4.936 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.216 -9.257 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.095 -8.928 6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.244 -9.910 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.883 -10.692 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.108 -9.005 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.902 -10.773 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.271 -10.038 2.797 1.00 0.00 H new ATOM 477 N ARG A 33 -5.647 -13.933 3.266 1.00 0.00 N ATOM 478 CA ARG A 33 -5.407 -15.190 2.566 1.00 0.00 C ATOM 479 C ARG A 33 -6.161 -15.250 1.237 1.00 0.00 C ATOM 480 O ARG A 33 -6.262 -16.312 0.624 1.00 0.00 O ATOM 481 CB ARG A 33 -5.817 -16.372 3.447 1.00 0.00 C ATOM 482 CG ARG A 33 -4.951 -16.535 4.687 1.00 0.00 C ATOM 483 CD ARG A 33 -5.739 -16.266 5.959 1.00 0.00 C ATOM 484 NE ARG A 33 -4.884 -15.778 7.039 1.00 0.00 N ATOM 485 CZ ARG A 33 -4.105 -16.563 7.780 1.00 0.00 C ATOM 486 NH1 ARG A 33 -4.069 -17.872 7.562 1.00 0.00 N ATOM 487 NH2 ARG A 33 -3.360 -16.037 8.743 1.00 0.00 N ATOM 0 H ARG A 33 -6.429 -13.957 3.920 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.340 -15.248 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.855 -16.244 3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.769 -17.288 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.544 -17.546 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.103 -15.852 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.519 -15.532 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.238 -17.181 6.277 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.884 -14.777 7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.640 -18.282 6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.470 -18.468 8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.384 -15.032 8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.763 -16.638 9.311 1.00 0.00 H new ATOM 501 N ALA A 34 -6.689 -14.111 0.793 1.00 0.00 N ATOM 502 CA ALA A 34 -7.427 -14.058 -0.465 1.00 0.00 C ATOM 503 C ALA A 34 -7.782 -12.623 -0.841 1.00 0.00 C ATOM 504 O ALA A 34 -7.780 -11.729 0.005 1.00 0.00 O ATOM 505 CB ALA A 34 -8.688 -14.906 -0.371 1.00 0.00 C ATOM 0 H ALA A 34 -6.620 -13.219 1.282 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.785 -14.460 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.230 -14.858 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.416 -15.940 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.322 -14.527 0.431 1.00 0.00 H new ATOM 511 N ALA A 35 -8.089 -12.410 -2.117 1.00 0.00 N ATOM 512 CA ALA A 35 -8.449 -11.086 -2.610 1.00 0.00 C ATOM 513 C ALA A 35 -9.964 -10.920 -2.665 1.00 0.00 C ATOM 514 O ALA A 35 -10.709 -11.853 -2.367 1.00 0.00 O ATOM 515 CB ALA A 35 -7.841 -10.851 -3.984 1.00 0.00 C ATOM 0 H ALA A 35 -8.095 -13.140 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.050 -10.344 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.118 -9.859 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.755 -10.923 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.213 -11.603 -4.680 1.00 0.00 H new ATOM 521 N LEU A 36 -10.416 -9.731 -3.051 1.00 0.00 N ATOM 522 CA LEU A 36 -11.845 -9.456 -3.143 1.00 0.00 C ATOM 523 C LEU A 36 -12.342 -9.660 -4.571 1.00 0.00 C ATOM 524 O LEU A 36 -13.100 -10.589 -4.846 1.00 0.00 O ATOM 525 CB LEU A 36 -12.129 -8.027 -2.682 1.00 0.00 C ATOM 526 CG LEU A 36 -11.591 -7.674 -1.294 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.166 -7.146 -1.390 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.495 -6.654 -0.615 1.00 0.00 C ATOM 0 H LEU A 36 -9.816 -8.946 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.377 -10.152 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.700 -7.336 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.207 -7.867 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.580 -8.581 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.801 -6.900 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.525 -7.908 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.151 -6.251 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.097 -6.415 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.538 -5.747 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.498 -7.069 -0.511 1.00 0.00 H new ATOM 540 N THR A 37 -11.888 -8.800 -5.474 1.00 0.00 N ATOM 541 CA THR A 37 -12.258 -8.883 -6.887 1.00 0.00 C ATOM 542 C THR A 37 -11.760 -7.656 -7.644 1.00 0.00 C ATOM 543 O THR A 37 -11.506 -6.609 -7.048 1.00 0.00 O ATOM 544 CB THR A 37 -13.774 -9.029 -7.064 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.119 -9.021 -8.439 1.00 0.00 O ATOM 546 CG2 THR A 37 -14.571 -7.935 -6.391 1.00 0.00 C ATOM 0 H THR A 37 -11.257 -8.029 -5.253 1.00 0.00 H new ATOM 0 HA THR A 37 -11.782 -9.773 -7.299 1.00 0.00 H new ATOM 0 HB THR A 37 -14.025 -9.979 -6.592 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.090 -9.117 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.635 -8.104 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.367 -7.942 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.287 -6.969 -6.808 1.00 0.00 H new ATOM 554 N SER A 38 -11.616 -7.795 -8.958 1.00 0.00 N ATOM 555 CA SER A 38 -11.140 -6.700 -9.801 1.00 0.00 C ATOM 556 C SER A 38 -11.857 -5.393 -9.472 1.00 0.00 C ATOM 557 O SER A 38 -11.249 -4.322 -9.482 1.00 0.00 O ATOM 558 CB SER A 38 -11.340 -7.046 -11.278 1.00 0.00 C ATOM 559 OG SER A 38 -11.214 -8.440 -11.497 1.00 0.00 O ATOM 0 H SER A 38 -11.822 -8.656 -9.464 1.00 0.00 H new ATOM 0 HA SER A 38 -10.077 -6.563 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.325 -6.711 -11.603 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.607 -6.512 -11.882 1.00 0.00 H new ATOM 0 HG SER A 38 -11.348 -8.635 -12.448 1.00 0.00 H new ATOM 565 N PHE A 39 -13.149 -5.487 -9.185 1.00 0.00 N ATOM 566 CA PHE A 39 -13.946 -4.311 -8.856 1.00 0.00 C ATOM 567 C PHE A 39 -13.642 -3.818 -7.444 1.00 0.00 C ATOM 568 O PHE A 39 -13.663 -2.614 -7.182 1.00 0.00 O ATOM 569 CB PHE A 39 -15.437 -4.625 -8.995 1.00 0.00 C ATOM 570 CG PHE A 39 -16.127 -3.797 -10.041 1.00 0.00 C ATOM 571 CD1 PHE A 39 -16.650 -2.553 -9.724 1.00 0.00 C ATOM 572 CD2 PHE A 39 -16.251 -4.261 -11.341 1.00 0.00 C ATOM 573 CE1 PHE A 39 -17.284 -1.788 -10.685 1.00 0.00 C ATOM 574 CE2 PHE A 39 -16.884 -3.501 -12.305 1.00 0.00 C ATOM 575 CZ PHE A 39 -17.402 -2.264 -11.977 1.00 0.00 C ATOM 0 H PHE A 39 -13.668 -6.365 -9.173 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.683 -3.518 -9.557 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.557 -5.680 -9.240 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.926 -4.464 -8.034 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -16.561 -2.177 -8.715 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -15.848 -5.228 -11.603 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -17.687 -0.820 -10.427 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -16.974 -3.874 -13.315 1.00 0.00 H new ATOM 0 HZ PHE A 39 -17.899 -1.669 -12.729 1.00 0.00 H new ATOM 585 N GLN A 40 -13.364 -4.750 -6.537 1.00 0.00 N ATOM 586 CA GLN A 40 -13.061 -4.397 -5.154 1.00 0.00 C ATOM 587 C GLN A 40 -11.708 -3.705 -5.050 1.00 0.00 C ATOM 588 O GLN A 40 -11.608 -2.592 -4.534 1.00 0.00 O ATOM 589 CB GLN A 40 -13.089 -5.637 -4.264 1.00 0.00 C ATOM 590 CG GLN A 40 -14.472 -5.965 -3.725 1.00 0.00 C ATOM 591 CD GLN A 40 -14.684 -5.461 -2.311 1.00 0.00 C ATOM 592 OE1 GLN A 40 -14.105 -4.452 -1.906 1.00 0.00 O ATOM 593 NE2 GLN A 40 -15.516 -6.163 -1.550 1.00 0.00 N ATOM 0 H GLN A 40 -13.342 -5.751 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.828 -3.702 -4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.717 -6.490 -4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.407 -5.489 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.226 -5.527 -4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.619 -7.045 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.974 -6.993 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.697 -5.872 -0.589 1.00 0.00 H new ATOM 602 N VAL A 41 -10.667 -4.366 -5.547 1.00 0.00 N ATOM 603 CA VAL A 41 -9.322 -3.806 -5.512 1.00 0.00 C ATOM 604 C VAL A 41 -9.288 -2.442 -6.192 1.00 0.00 C ATOM 605 O VAL A 41 -8.588 -1.531 -5.749 1.00 0.00 O ATOM 606 CB VAL A 41 -8.303 -4.738 -6.198 1.00 0.00 C ATOM 607 CG1 VAL A 41 -6.901 -4.147 -6.137 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.333 -6.120 -5.561 1.00 0.00 C ATOM 0 H VAL A 41 -10.730 -5.288 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.047 -3.698 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.582 -4.836 -7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.200 -4.822 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.890 -3.182 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.608 -4.013 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.608 -6.765 -6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.082 -6.039 -4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.330 -6.547 -5.666 1.00 0.00 H new ATOM 618 N ALA A 42 -10.055 -2.308 -7.269 1.00 0.00 N ATOM 619 CA ALA A 42 -10.119 -1.057 -8.009 1.00 0.00 C ATOM 620 C ALA A 42 -10.736 0.048 -7.163 1.00 0.00 C ATOM 621 O ALA A 42 -10.307 1.199 -7.223 1.00 0.00 O ATOM 622 CB ALA A 42 -10.905 -1.244 -9.298 1.00 0.00 C ATOM 0 H ALA A 42 -10.641 -3.052 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.101 -0.759 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.944 -0.299 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.417 -1.997 -9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.918 -1.569 -9.062 1.00 0.00 H new ATOM 628 N GLN A 43 -11.737 -0.308 -6.365 1.00 0.00 N ATOM 629 CA GLN A 43 -12.396 0.663 -5.499 1.00 0.00 C ATOM 630 C GLN A 43 -11.373 1.322 -4.582 1.00 0.00 C ATOM 631 O GLN A 43 -11.441 2.520 -4.312 1.00 0.00 O ATOM 632 CB GLN A 43 -13.490 -0.016 -4.671 1.00 0.00 C ATOM 633 CG GLN A 43 -14.836 0.686 -4.752 1.00 0.00 C ATOM 634 CD GLN A 43 -15.937 -0.219 -5.273 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.217 -1.270 -4.696 1.00 0.00 O ATOM 636 NE2 GLN A 43 -16.568 0.187 -6.368 1.00 0.00 N ATOM 0 H GLN A 43 -12.108 -1.256 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.859 1.430 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.605 -1.045 -5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.173 -0.057 -3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.110 1.053 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.749 1.557 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.303 1.065 -6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.318 -0.379 -6.764 1.00 0.00 H new ATOM 645 N TYR A 44 -10.417 0.524 -4.121 1.00 0.00 N ATOM 646 CA TYR A 44 -9.360 1.015 -3.247 1.00 0.00 C ATOM 647 C TYR A 44 -8.331 1.808 -4.047 1.00 0.00 C ATOM 648 O TYR A 44 -7.940 2.913 -3.659 1.00 0.00 O ATOM 649 CB TYR A 44 -8.684 -0.160 -2.533 1.00 0.00 C ATOM 650 CG TYR A 44 -7.618 0.256 -1.545 1.00 0.00 C ATOM 651 CD1 TYR A 44 -6.411 0.789 -1.980 1.00 0.00 C ATOM 652 CD2 TYR A 44 -7.817 0.111 -0.178 1.00 0.00 C ATOM 653 CE1 TYR A 44 -5.433 1.168 -1.081 1.00 0.00 C ATOM 654 CE2 TYR A 44 -6.845 0.488 0.728 1.00 0.00 C ATOM 655 CZ TYR A 44 -5.654 1.015 0.271 1.00 0.00 C ATOM 656 OH TYR A 44 -4.682 1.390 1.170 1.00 0.00 O ATOM 0 H TYR A 44 -10.353 -0.470 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.802 1.676 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.444 -0.741 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.238 -0.818 -3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.234 0.909 -3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.747 -0.303 0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.501 1.582 -1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.016 0.371 1.788 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.976 1.174 2.079 1.00 0.00 H new ATOM 666 N ARG A 45 -7.896 1.236 -5.170 1.00 0.00 N ATOM 667 CA ARG A 45 -6.914 1.888 -6.026 1.00 0.00 C ATOM 668 C ARG A 45 -7.444 3.221 -6.550 1.00 0.00 C ATOM 669 O ARG A 45 -6.672 4.132 -6.850 1.00 0.00 O ATOM 670 CB ARG A 45 -6.508 0.964 -7.185 1.00 0.00 C ATOM 671 CG ARG A 45 -7.401 1.057 -8.416 1.00 0.00 C ATOM 672 CD ARG A 45 -6.727 1.826 -9.540 1.00 0.00 C ATOM 673 NE ARG A 45 -6.984 1.223 -10.845 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.360 0.134 -11.293 1.00 0.00 C ATOM 675 NH1 ARG A 45 -5.445 -0.470 -10.544 1.00 0.00 N ATOM 676 NH2 ARG A 45 -6.652 -0.350 -12.493 1.00 0.00 N ATOM 0 H ARG A 45 -8.209 0.325 -5.505 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.026 2.094 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.484 1.198 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.510 -0.066 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.652 0.054 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.338 1.547 -8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.084 2.856 -9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.652 1.861 -9.362 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.681 1.660 -11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.217 -0.101 -9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.970 -1.303 -10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.354 0.111 -13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.175 -1.183 -12.837 1.00 0.00 H new ATOM 690 N ASN A 46 -8.766 3.331 -6.650 1.00 0.00 N ATOM 691 CA ASN A 46 -9.394 4.557 -7.128 1.00 0.00 C ATOM 692 C ASN A 46 -9.391 5.624 -6.039 1.00 0.00 C ATOM 693 O ASN A 46 -9.334 6.820 -6.327 1.00 0.00 O ATOM 694 CB ASN A 46 -10.829 4.279 -7.584 1.00 0.00 C ATOM 695 CG ASN A 46 -11.008 4.465 -9.079 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.050 4.379 -9.846 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.241 4.725 -9.498 1.00 0.00 N ATOM 0 H ASN A 46 -9.421 2.588 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.818 4.925 -7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.102 3.259 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.511 4.944 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.423 4.862 -10.492 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.006 4.787 -8.826 1.00 0.00 H new ATOM 704 N ILE A 47 -9.450 5.185 -4.785 1.00 0.00 N ATOM 705 CA ILE A 47 -9.451 6.104 -3.653 1.00 0.00 C ATOM 706 C ILE A 47 -8.196 6.971 -3.655 1.00 0.00 C ATOM 707 O ILE A 47 -8.277 8.196 -3.754 1.00 0.00 O ATOM 708 CB ILE A 47 -9.547 5.341 -2.311 1.00 0.00 C ATOM 709 CG1 ILE A 47 -10.929 4.703 -2.165 1.00 0.00 C ATOM 710 CG2 ILE A 47 -9.263 6.266 -1.135 1.00 0.00 C ATOM 711 CD1 ILE A 47 -10.942 3.492 -1.257 1.00 0.00 C ATOM 0 H ILE A 47 -9.498 4.199 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.328 6.743 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.793 4.554 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.624 5.447 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.292 4.412 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.337 5.704 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.259 6.679 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.990 7.078 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.954 3.091 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.272 2.731 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.609 3.781 -0.260 1.00 0.00 H new ATOM 723 N LEU A 48 -7.036 6.332 -3.552 1.00 0.00 N ATOM 724 CA LEU A 48 -5.773 7.064 -3.548 1.00 0.00 C ATOM 725 C LEU A 48 -5.505 7.682 -4.914 1.00 0.00 C ATOM 726 O LEU A 48 -4.980 8.790 -5.010 1.00 0.00 O ATOM 727 CB LEU A 48 -4.607 6.159 -3.143 1.00 0.00 C ATOM 728 CG LEU A 48 -4.714 4.705 -3.600 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.345 4.165 -3.978 1.00 0.00 C ATOM 730 CD2 LEU A 48 -5.343 3.857 -2.508 1.00 0.00 C ATOM 0 H LEU A 48 -6.943 5.320 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.857 7.862 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.686 6.581 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.518 6.175 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.353 4.661 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.439 3.128 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.930 4.762 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.682 4.217 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.414 2.823 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.727 3.904 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.341 4.234 -2.283 1.00 0.00 H new ATOM 742 N ASN A 49 -5.877 6.963 -5.971 1.00 0.00 N ATOM 743 CA ASN A 49 -5.680 7.457 -7.328 1.00 0.00 C ATOM 744 C ASN A 49 -6.373 8.805 -7.501 1.00 0.00 C ATOM 745 O ASN A 49 -5.855 9.705 -8.161 1.00 0.00 O ATOM 746 CB ASN A 49 -6.217 6.453 -8.352 1.00 0.00 C ATOM 747 CG ASN A 49 -6.091 6.961 -9.775 1.00 0.00 C ATOM 748 OD1 ASN A 49 -5.214 6.534 -10.526 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.972 7.880 -10.151 1.00 0.00 N ATOM 0 H ASN A 49 -6.313 6.043 -5.913 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.611 7.583 -7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.675 5.513 -8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.264 6.241 -8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.939 8.261 -11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.682 8.205 -9.495 1.00 0.00 H new ATOM 756 N ALA A 50 -7.542 8.937 -6.886 1.00 0.00 N ATOM 757 CA ALA A 50 -8.301 10.177 -6.951 1.00 0.00 C ATOM 758 C ALA A 50 -7.583 11.277 -6.181 1.00 0.00 C ATOM 759 O ALA A 50 -7.727 12.458 -6.482 1.00 0.00 O ATOM 760 CB ALA A 50 -9.707 9.975 -6.413 1.00 0.00 C ATOM 0 H ALA A 50 -7.984 8.200 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.379 10.480 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.257 10.914 -6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.219 9.218 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.656 9.648 -5.375 1.00 0.00 H new ATOM 766 N SER A 51 -6.809 10.871 -5.179 1.00 0.00 N ATOM 767 CA SER A 51 -6.058 11.809 -4.355 1.00 0.00 C ATOM 768 C SER A 51 -4.965 12.498 -5.172 1.00 0.00 C ATOM 769 O SER A 51 -4.624 13.655 -4.926 1.00 0.00 O ATOM 770 CB SER A 51 -5.433 11.074 -3.165 1.00 0.00 C ATOM 771 OG SER A 51 -4.897 11.988 -2.224 1.00 0.00 O ATOM 0 H SER A 51 -6.686 9.893 -4.918 1.00 0.00 H new ATOM 0 HA SER A 51 -6.746 12.571 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.186 10.451 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.646 10.408 -3.518 1.00 0.00 H new ATOM 0 HG SER A 51 -4.506 11.493 -1.474 1.00 0.00 H new ATOM 777 N LEU A 52 -4.410 11.764 -6.131 1.00 0.00 N ATOM 778 CA LEU A 52 -3.335 12.277 -6.982 1.00 0.00 C ATOM 779 C LEU A 52 -3.811 13.406 -7.896 1.00 0.00 C ATOM 780 O LEU A 52 -3.090 14.379 -8.116 1.00 0.00 O ATOM 781 CB LEU A 52 -2.742 11.147 -7.834 1.00 0.00 C ATOM 782 CG LEU A 52 -2.847 9.741 -7.234 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.053 8.745 -8.058 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.366 9.739 -5.791 1.00 0.00 C ATOM 0 H LEU A 52 -4.687 10.805 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.570 12.681 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.240 11.147 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.690 11.367 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.895 9.441 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.141 7.753 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.442 8.723 -9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.004 9.042 -8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.448 8.732 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.326 10.062 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.979 10.421 -5.202 1.00 0.00 H new ATOM 796 N GLN A 53 -5.016 13.267 -8.440 1.00 0.00 N ATOM 797 CA GLN A 53 -5.565 14.276 -9.346 1.00 0.00 C ATOM 798 C GLN A 53 -6.127 15.483 -8.593 1.00 0.00 C ATOM 799 O GLN A 53 -6.712 16.380 -9.201 1.00 0.00 O ATOM 800 CB GLN A 53 -6.647 13.658 -10.233 1.00 0.00 C ATOM 801 CG GLN A 53 -7.828 13.097 -9.465 1.00 0.00 C ATOM 802 CD GLN A 53 -8.322 11.789 -10.046 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.477 11.673 -10.455 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.444 10.797 -10.084 1.00 0.00 N ATOM 0 H GLN A 53 -5.630 12.470 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.745 14.633 -9.969 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.007 14.415 -10.930 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.202 12.861 -10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.543 12.945 -8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.640 13.824 -9.470 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.497 10.940 -9.733 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.715 9.890 -10.464 1.00 0.00 H new ATOM 813 N VAL A 54 -5.949 15.507 -7.277 1.00 0.00 N ATOM 814 CA VAL A 54 -6.442 16.612 -6.462 1.00 0.00 C ATOM 815 C VAL A 54 -5.317 17.242 -5.646 1.00 0.00 C ATOM 816 O VAL A 54 -5.563 17.886 -4.626 1.00 0.00 O ATOM 817 CB VAL A 54 -7.562 16.158 -5.506 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.894 16.091 -6.238 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.221 14.813 -4.880 1.00 0.00 C ATOM 0 H VAL A 54 -5.468 14.776 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.845 17.352 -7.153 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.649 16.892 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.673 15.769 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.143 17.077 -6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.822 15.380 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.024 14.510 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.103 14.066 -5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.291 14.899 -4.318 1.00 0.00 H new ATOM 829 N ASP A 55 -4.082 17.053 -6.101 1.00 0.00 N ATOM 830 CA ASP A 55 -2.920 17.604 -5.412 1.00 0.00 C ATOM 831 C ASP A 55 -2.487 18.921 -6.048 1.00 0.00 C ATOM 832 O ASP A 55 -2.984 19.303 -7.108 1.00 0.00 O ATOM 833 CB ASP A 55 -1.763 16.603 -5.443 1.00 0.00 C ATOM 834 CG ASP A 55 -0.799 16.800 -4.289 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.225 17.328 -3.242 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.385 16.425 -4.435 1.00 0.00 O ATOM 0 H ASP A 55 -3.860 16.523 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.198 17.796 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.162 15.589 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.224 16.704 -6.385 1.00 0.00 H new ATOM 841 N ARG A 56 -1.559 19.612 -5.394 1.00 0.00 N ATOM 842 CA ARG A 56 -1.062 20.888 -5.898 1.00 0.00 C ATOM 843 C ARG A 56 0.035 20.675 -6.936 1.00 0.00 C ATOM 844 O ARG A 56 0.097 21.381 -7.943 1.00 0.00 O ATOM 845 CB ARG A 56 -0.530 21.742 -4.745 1.00 0.00 C ATOM 846 CG ARG A 56 -1.626 22.332 -3.872 1.00 0.00 C ATOM 847 CD ARG A 56 -1.981 23.748 -4.298 1.00 0.00 C ATOM 848 NE ARG A 56 -3.415 23.906 -4.528 1.00 0.00 N ATOM 849 CZ ARG A 56 -4.031 25.085 -4.576 1.00 0.00 C ATOM 850 NH1 ARG A 56 -3.344 26.209 -4.413 1.00 0.00 N ATOM 851 NH2 ARG A 56 -5.339 25.141 -4.790 1.00 0.00 N ATOM 0 H ARG A 56 -1.136 19.311 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.892 21.409 -6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.128 21.133 -4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.075 22.552 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.514 21.702 -3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.301 22.335 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.657 24.450 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.438 24.000 -5.209 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.976 23.065 -4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.338 26.173 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.822 27.109 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.872 24.281 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.812 26.044 -4.827 1.00 0.00 H new ATOM 865 N ASP A 57 0.900 19.698 -6.684 1.00 0.00 N ATOM 866 CA ASP A 57 1.995 19.393 -7.598 1.00 0.00 C ATOM 867 C ASP A 57 1.544 18.424 -8.686 1.00 0.00 C ATOM 868 O ASP A 57 1.307 17.246 -8.423 1.00 0.00 O ATOM 869 CB ASP A 57 3.178 18.799 -6.829 1.00 0.00 C ATOM 870 CG ASP A 57 4.107 19.866 -6.283 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.201 20.946 -6.904 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.739 19.622 -5.235 1.00 0.00 O ATOM 0 H ASP A 57 0.864 19.104 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 57 2.308 20.323 -8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.804 18.191 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.739 18.135 -7.487 1.00 0.00 H new ATOM 877 N ALA A 58 1.430 18.929 -9.911 1.00 0.00 N ATOM 878 CA ALA A 58 1.009 18.107 -11.040 1.00 0.00 C ATOM 879 C ALA A 58 2.057 17.050 -11.368 1.00 0.00 C ATOM 880 O ALA A 58 1.723 15.900 -11.653 1.00 0.00 O ATOM 881 CB ALA A 58 0.740 18.981 -12.255 1.00 0.00 C ATOM 0 H ALA A 58 1.623 19.902 -10.147 1.00 0.00 H new ATOM 0 HA ALA A 58 0.088 17.594 -10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.427 18.356 -13.091 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.049 19.696 -12.021 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.649 19.519 -12.525 1.00 0.00 H new ATOM 887 N ALA A 59 3.324 17.447 -11.327 1.00 0.00 N ATOM 888 CA ALA A 59 4.421 16.533 -11.619 1.00 0.00 C ATOM 889 C ALA A 59 4.424 15.352 -10.655 1.00 0.00 C ATOM 890 O ALA A 59 4.601 14.205 -11.065 1.00 0.00 O ATOM 891 CB ALA A 59 5.751 17.270 -11.558 1.00 0.00 C ATOM 0 H ALA A 59 3.616 18.396 -11.094 1.00 0.00 H new ATOM 0 HA ALA A 59 4.279 16.144 -12.627 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.562 16.576 -11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.754 18.076 -12.292 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.891 17.687 -10.561 1.00 0.00 H new ATOM 897 N ARG A 60 4.228 15.640 -9.373 1.00 0.00 N ATOM 898 CA ARG A 60 4.207 14.601 -8.351 1.00 0.00 C ATOM 899 C ARG A 60 3.094 13.594 -8.623 1.00 0.00 C ATOM 900 O ARG A 60 3.327 12.386 -8.634 1.00 0.00 O ATOM 901 CB ARG A 60 4.026 15.223 -6.964 1.00 0.00 C ATOM 902 CG ARG A 60 5.324 15.353 -6.183 1.00 0.00 C ATOM 903 CD ARG A 60 5.064 15.662 -4.717 1.00 0.00 C ATOM 904 NE ARG A 60 6.262 15.485 -3.900 1.00 0.00 N ATOM 905 CZ ARG A 60 7.258 16.365 -3.846 1.00 0.00 C ATOM 906 NH1 ARG A 60 7.205 17.484 -4.558 1.00 0.00 N ATOM 907 NH2 ARG A 60 8.313 16.126 -3.077 1.00 0.00 N ATOM 0 H ARG A 60 4.081 16.585 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 60 5.161 14.075 -8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.577 16.210 -7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.326 14.615 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.894 14.427 -6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.935 16.143 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.707 16.687 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.272 15.013 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 60 6.339 14.637 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.397 17.673 -5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.972 18.155 -4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.360 15.268 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.077 16.801 -3.035 1.00 0.00 H new ATOM 921 N SER A 61 1.885 14.101 -8.842 1.00 0.00 N ATOM 922 CA SER A 61 0.731 13.248 -9.115 1.00 0.00 C ATOM 923 C SER A 61 1.028 12.270 -10.249 1.00 0.00 C ATOM 924 O SER A 61 0.824 11.064 -10.110 1.00 0.00 O ATOM 925 CB SER A 61 -0.487 14.101 -9.471 1.00 0.00 C ATOM 926 OG SER A 61 -0.563 15.251 -8.645 1.00 0.00 O ATOM 0 H SER A 61 1.678 15.100 -8.836 1.00 0.00 H new ATOM 0 HA SER A 61 0.516 12.675 -8.213 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.430 14.403 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.395 13.509 -9.360 1.00 0.00 H new ATOM 0 HG SER A 61 -1.452 15.302 -8.236 1.00 0.00 H new ATOM 932 N ARG A 62 1.510 12.798 -11.370 1.00 0.00 N ATOM 933 CA ARG A 62 1.835 11.974 -12.530 1.00 0.00 C ATOM 934 C ARG A 62 2.729 10.801 -12.136 1.00 0.00 C ATOM 935 O ARG A 62 2.631 9.714 -12.707 1.00 0.00 O ATOM 936 CB ARG A 62 2.526 12.818 -13.603 1.00 0.00 C ATOM 937 CG ARG A 62 1.563 13.637 -14.445 1.00 0.00 C ATOM 938 CD ARG A 62 2.304 14.565 -15.396 1.00 0.00 C ATOM 939 NE ARG A 62 1.528 14.846 -16.602 1.00 0.00 N ATOM 940 CZ ARG A 62 0.427 15.595 -16.617 1.00 0.00 C ATOM 941 NH1 ARG A 62 -0.029 16.140 -15.496 1.00 0.00 N ATOM 942 NH2 ARG A 62 -0.218 15.801 -17.757 1.00 0.00 N ATOM 0 H ARG A 62 1.684 13.795 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 62 0.903 11.576 -12.932 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.238 13.490 -13.123 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.099 12.161 -14.257 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.918 12.969 -15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.916 14.224 -13.793 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.532 15.501 -14.885 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.256 14.114 -15.675 1.00 0.00 H new ATOM 0 HE ARG A 62 1.848 14.445 -17.484 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.464 15.986 -14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.873 16.713 -15.514 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.129 15.386 -18.622 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.061 16.375 -17.769 1.00 0.00 H new ATOM 956 N ARG A 63 3.596 11.027 -11.156 1.00 0.00 N ATOM 957 CA ARG A 63 4.504 9.988 -10.684 1.00 0.00 C ATOM 958 C ARG A 63 3.748 8.925 -9.893 1.00 0.00 C ATOM 959 O ARG A 63 3.969 7.728 -10.074 1.00 0.00 O ATOM 960 CB ARG A 63 5.606 10.600 -9.816 1.00 0.00 C ATOM 961 CG ARG A 63 6.333 11.758 -10.483 1.00 0.00 C ATOM 962 CD ARG A 63 7.797 11.431 -10.733 1.00 0.00 C ATOM 963 NE ARG A 63 7.959 10.249 -11.575 1.00 0.00 N ATOM 964 CZ ARG A 63 7.705 10.230 -12.882 1.00 0.00 C ATOM 965 NH1 ARG A 63 7.274 11.324 -13.499 1.00 0.00 N ATOM 966 NH2 ARG A 63 7.881 9.113 -13.575 1.00 0.00 N ATOM 0 H ARG A 63 3.690 11.920 -10.673 1.00 0.00 H new ATOM 0 HA ARG A 63 4.958 9.514 -11.554 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.169 10.947 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.330 9.825 -9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.847 11.997 -11.429 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.260 12.645 -9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.283 12.283 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.300 11.268 -9.780 1.00 0.00 H new ATOM 0 HE ARG A 63 8.286 9.388 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.136 12.186 -12.972 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.081 11.302 -14.500 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.211 8.269 -13.107 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.687 9.098 -14.576 1.00 0.00 H new ATOM 980 N LEU A 64 2.852 9.371 -9.017 1.00 0.00 N ATOM 981 CA LEU A 64 2.061 8.455 -8.201 1.00 0.00 C ATOM 982 C LEU A 64 1.046 7.711 -9.062 1.00 0.00 C ATOM 983 O LEU A 64 0.791 6.525 -8.856 1.00 0.00 O ATOM 984 CB LEU A 64 1.335 9.202 -7.074 1.00 0.00 C ATOM 985 CG LEU A 64 1.955 10.536 -6.648 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.238 11.090 -5.427 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.444 10.375 -6.367 1.00 0.00 C ATOM 0 H LEU A 64 2.656 10.359 -8.854 1.00 0.00 H new ATOM 0 HA LEU A 64 2.747 7.735 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.308 9.385 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.290 8.550 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 64 1.838 11.244 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.691 12.038 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.186 11.248 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.322 10.381 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.863 11.335 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.587 9.650 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.948 10.025 -7.268 1.00 0.00 H new ATOM 999 N MET A 65 0.471 8.420 -10.029 1.00 0.00 N ATOM 1000 CA MET A 65 -0.517 7.832 -10.925 1.00 0.00 C ATOM 1001 C MET A 65 0.053 6.611 -11.638 1.00 0.00 C ATOM 1002 O MET A 65 -0.657 5.636 -11.885 1.00 0.00 O ATOM 1003 CB MET A 65 -0.987 8.871 -11.944 1.00 0.00 C ATOM 1004 CG MET A 65 -1.715 10.047 -11.312 1.00 0.00 C ATOM 1005 SD MET A 65 -3.193 10.526 -12.226 1.00 0.00 S ATOM 1006 CE MET A 65 -4.428 10.431 -10.935 1.00 0.00 C ATOM 0 H MET A 65 0.673 9.403 -10.211 1.00 0.00 H new ATOM 0 HA MET A 65 -1.371 7.509 -10.329 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.125 9.242 -12.498 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.647 8.389 -12.666 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.993 9.790 -10.290 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.038 10.899 -11.253 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.375 10.100 -11.361 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.105 9.721 -10.174 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.558 11.414 -10.483 1.00 0.00 H new ATOM 1016 N ALA A 66 1.343 6.664 -11.954 1.00 0.00 N ATOM 1017 CA ALA A 66 2.009 5.555 -12.623 1.00 0.00 C ATOM 1018 C ALA A 66 2.348 4.464 -11.618 1.00 0.00 C ATOM 1019 O ALA A 66 2.307 3.275 -11.936 1.00 0.00 O ATOM 1020 CB ALA A 66 3.264 6.038 -13.334 1.00 0.00 C ATOM 0 H ALA A 66 1.946 7.463 -11.757 1.00 0.00 H new ATOM 0 HA ALA A 66 1.333 5.140 -13.370 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.749 5.196 -13.828 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.995 6.789 -14.077 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.949 6.475 -12.607 1.00 0.00 H new ATOM 1026 N LYS A 67 2.668 4.878 -10.396 1.00 0.00 N ATOM 1027 CA LYS A 67 2.993 3.936 -9.336 1.00 0.00 C ATOM 1028 C LYS A 67 1.756 3.131 -8.956 1.00 0.00 C ATOM 1029 O LYS A 67 1.855 1.986 -8.516 1.00 0.00 O ATOM 1030 CB LYS A 67 3.537 4.675 -8.112 1.00 0.00 C ATOM 1031 CG LYS A 67 4.919 5.274 -8.327 1.00 0.00 C ATOM 1032 CD LYS A 67 5.908 4.798 -7.275 1.00 0.00 C ATOM 1033 CE LYS A 67 5.594 5.385 -5.907 1.00 0.00 C ATOM 1034 NZ LYS A 67 6.277 6.689 -5.693 1.00 0.00 N ATOM 0 H LYS A 67 2.709 5.858 -10.118 1.00 0.00 H new ATOM 0 HA LYS A 67 3.762 3.254 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.843 5.471 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.576 3.985 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.283 5.003 -9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.853 6.362 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.885 3.710 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.919 5.081 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.517 5.519 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.901 4.683 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.757 7.240 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.248 6.522 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.304 7.218 -6.588 1.00 0.00 H new ATOM 1048 N LEU A 68 0.587 3.741 -9.144 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.678 3.089 -8.840 1.00 0.00 C ATOM 1050 C LEU A 68 -1.026 2.077 -9.926 1.00 0.00 C ATOM 1051 O LEU A 68 -1.680 1.069 -9.664 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.792 4.131 -8.711 1.00 0.00 C ATOM 1053 CG LEU A 68 -2.797 3.869 -7.586 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.095 5.152 -6.823 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.079 3.274 -8.145 1.00 0.00 C ATOM 0 H LEU A 68 0.494 4.690 -9.507 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.580 2.562 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.337 5.109 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.333 4.182 -9.656 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.356 3.152 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.811 4.945 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.173 5.540 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.514 5.892 -7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.782 3.094 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.521 3.968 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.855 2.332 -8.646 1.00 0.00 H new ATOM 1067 N ALA A 69 -0.575 2.354 -11.146 1.00 0.00 N ATOM 1068 CA ALA A 69 -0.829 1.465 -12.273 1.00 0.00 C ATOM 1069 C ALA A 69 -0.296 0.063 -11.989 1.00 0.00 C ATOM 1070 O ALA A 69 -0.781 -0.923 -12.545 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.199 2.026 -13.539 1.00 0.00 C ATOM 0 H ALA A 69 -0.033 3.186 -11.378 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.907 1.396 -12.419 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.396 1.352 -14.373 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.626 3.005 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.877 2.123 -13.398 1.00 0.00 H new ATOM 1077 N ASP A 70 0.707 -0.015 -11.119 1.00 0.00 N ATOM 1078 CA ASP A 70 1.316 -1.288 -10.754 1.00 0.00 C ATOM 1079 C ASP A 70 0.789 -1.784 -9.407 1.00 0.00 C ATOM 1080 O ASP A 70 1.389 -2.659 -8.781 1.00 0.00 O ATOM 1081 CB ASP A 70 2.837 -1.139 -10.697 1.00 0.00 C ATOM 1082 CG ASP A 70 3.544 -2.453 -10.437 1.00 0.00 C ATOM 1083 OD1 ASP A 70 3.473 -3.347 -11.305 1.00 0.00 O ATOM 1084 OD2 ASP A 70 4.174 -2.587 -9.367 1.00 0.00 O ATOM 0 H ASP A 70 1.116 0.794 -10.652 1.00 0.00 H new ATOM 0 HA ASP A 70 1.052 -2.024 -11.514 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.192 -0.720 -11.638 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.099 -0.429 -9.913 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.332 -1.222 -8.962 1.00 0.00 N ATOM 1090 CA PHE A 71 -0.930 -1.608 -7.688 1.00 0.00 C ATOM 1091 C PHE A 71 -1.352 -3.073 -7.699 1.00 0.00 C ATOM 1092 O PHE A 71 -2.013 -3.536 -8.629 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.139 -0.722 -7.379 1.00 0.00 C ATOM 1094 CG PHE A 71 -2.586 -0.791 -5.946 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -1.821 -0.221 -4.940 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -3.770 -1.424 -5.605 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -2.230 -0.282 -3.622 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -4.184 -1.487 -4.289 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.413 -0.916 -3.295 1.00 0.00 C ATOM 0 H PHE A 71 -0.844 -0.498 -9.465 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.177 -1.473 -6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.894 0.311 -7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.968 -1.015 -8.024 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.895 0.276 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.376 -1.874 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.625 0.166 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.110 -1.982 -4.037 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.734 -0.965 -2.265 1.00 0.00 H new ATOM 1109 N ALA A 72 -0.968 -3.798 -6.652 1.00 0.00 N ATOM 1110 CA ALA A 72 -1.308 -5.210 -6.529 1.00 0.00 C ATOM 1111 C ALA A 72 -0.771 -6.016 -7.709 1.00 0.00 C ATOM 1112 O ALA A 72 -1.398 -6.980 -8.149 1.00 0.00 O ATOM 1113 CB ALA A 72 -2.816 -5.381 -6.416 1.00 0.00 C ATOM 0 H ALA A 72 -0.420 -3.429 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.838 -5.590 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.056 -6.440 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.177 -4.850 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.296 -4.976 -7.307 1.00 0.00 H new ATOM 1119 N VAL A 73 0.390 -5.618 -8.215 1.00 0.00 N ATOM 1120 CA VAL A 73 1.009 -6.307 -9.341 1.00 0.00 C ATOM 1121 C VAL A 73 1.617 -7.636 -8.904 1.00 0.00 C ATOM 1122 O VAL A 73 1.951 -7.822 -7.733 1.00 0.00 O ATOM 1123 CB VAL A 73 2.099 -5.443 -10.006 1.00 0.00 C ATOM 1124 CG1 VAL A 73 3.203 -5.113 -9.013 1.00 0.00 C ATOM 1125 CG2 VAL A 73 2.665 -6.145 -11.233 1.00 0.00 C ATOM 0 H VAL A 73 0.922 -4.822 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 73 0.219 -6.495 -10.069 1.00 0.00 H new ATOM 0 HB VAL A 73 1.645 -4.507 -10.330 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.962 -4.503 -9.502 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.783 -4.563 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.657 -6.036 -8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.433 -5.519 -11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.102 -7.099 -10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.866 -6.320 -11.953 1.00 0.00 H new ATOM 1135 N GLU A 74 1.759 -8.557 -9.852 1.00 0.00 N ATOM 1136 CA GLU A 74 2.326 -9.869 -9.565 1.00 0.00 C ATOM 1137 C GLU A 74 3.814 -9.762 -9.244 1.00 0.00 C ATOM 1138 O GLU A 74 4.653 -9.731 -10.144 1.00 0.00 O ATOM 1139 CB GLU A 74 2.114 -10.807 -10.756 1.00 0.00 C ATOM 1140 CG GLU A 74 1.592 -12.181 -10.365 1.00 0.00 C ATOM 1141 CD GLU A 74 2.276 -13.302 -11.123 1.00 0.00 C ATOM 1142 OE1 GLU A 74 2.023 -13.436 -12.339 1.00 0.00 O ATOM 1143 OE2 GLU A 74 3.064 -14.045 -10.502 1.00 0.00 O ATOM 0 H GLU A 74 1.489 -8.418 -10.826 1.00 0.00 H new ATOM 0 HA GLU A 74 1.815 -10.277 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.412 -10.345 -11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.058 -10.924 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.737 -12.330 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.519 -12.224 -10.550 1.00 0.00 H new ATOM 1150 N GLN A 75 4.131 -9.706 -7.955 1.00 0.00 N ATOM 1151 CA GLN A 75 5.516 -9.604 -7.510 1.00 0.00 C ATOM 1152 C GLN A 75 5.732 -10.399 -6.227 1.00 0.00 C ATOM 1153 O GLN A 75 4.851 -10.464 -5.369 1.00 0.00 O ATOM 1154 CB GLN A 75 5.894 -8.138 -7.286 1.00 0.00 C ATOM 1155 CG GLN A 75 6.586 -7.498 -8.479 1.00 0.00 C ATOM 1156 CD GLN A 75 7.676 -6.528 -8.068 1.00 0.00 C ATOM 1157 OE1 GLN A 75 8.758 -6.507 -8.656 1.00 0.00 O ATOM 1158 NE2 GLN A 75 7.396 -5.717 -7.055 1.00 0.00 N ATOM 0 H GLN A 75 3.447 -9.730 -7.199 1.00 0.00 H new ATOM 0 HA GLN A 75 6.155 -10.022 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.993 -7.571 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.548 -8.069 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.017 -8.278 -9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.847 -6.973 -9.085 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.486 -5.769 -6.597 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.091 -5.042 -6.735 1.00 0.00 H new ATOM 1167 N GLU A 76 6.909 -11.003 -6.099 1.00 0.00 N ATOM 1168 CA GLU A 76 7.237 -11.792 -4.918 1.00 0.00 C ATOM 1169 C GLU A 76 7.707 -10.898 -3.776 1.00 0.00 C ATOM 1170 O GLU A 76 8.528 -10.002 -3.972 1.00 0.00 O ATOM 1171 CB GLU A 76 8.318 -12.826 -5.247 1.00 0.00 C ATOM 1172 CG GLU A 76 9.611 -12.217 -5.764 1.00 0.00 C ATOM 1173 CD GLU A 76 9.667 -12.159 -7.278 1.00 0.00 C ATOM 1174 OE1 GLU A 76 9.243 -13.140 -7.925 1.00 0.00 O ATOM 1175 OE2 GLU A 76 10.132 -11.134 -7.817 1.00 0.00 O ATOM 0 H GLU A 76 7.651 -10.961 -6.798 1.00 0.00 H new ATOM 0 HA GLU A 76 6.332 -12.311 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.534 -13.409 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.930 -13.519 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.719 -11.210 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.455 -12.800 -5.395 1.00 0.00 H new ATOM 1182 N VAL A 77 7.182 -11.147 -2.581 1.00 0.00 N ATOM 1183 CA VAL A 77 7.552 -10.365 -1.410 1.00 0.00 C ATOM 1184 C VAL A 77 8.835 -10.898 -0.791 1.00 0.00 C ATOM 1185 O VAL A 77 9.189 -12.063 -0.970 1.00 0.00 O ATOM 1186 CB VAL A 77 6.434 -10.365 -0.349 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.816 -9.491 0.837 1.00 0.00 C ATOM 1188 CG2 VAL A 77 5.122 -9.897 -0.962 1.00 0.00 C ATOM 0 H VAL A 77 6.500 -11.883 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 77 7.709 -9.340 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 77 6.302 -11.385 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.013 -9.506 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.731 -9.873 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.979 -8.468 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.342 -9.902 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.242 -8.886 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.840 -10.567 -1.774 1.00 0.00 H new ATOM 1198 N THR A 78 9.535 -10.031 -0.072 1.00 0.00 N ATOM 1199 CA THR A 78 10.787 -10.406 0.562 1.00 0.00 C ATOM 1200 C THR A 78 10.979 -9.665 1.877 1.00 0.00 C ATOM 1201 O THR A 78 10.394 -8.604 2.090 1.00 0.00 O ATOM 1202 CB THR A 78 11.954 -10.103 -0.376 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.503 -9.959 -1.712 1.00 0.00 O ATOM 1204 CG2 THR A 78 13.011 -11.174 -0.365 1.00 0.00 C ATOM 0 H THR A 78 9.255 -9.063 0.086 1.00 0.00 H new ATOM 0 HA THR A 78 10.755 -11.475 0.773 1.00 0.00 H new ATOM 0 HB THR A 78 12.390 -9.175 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.266 -9.764 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.813 -10.901 -1.051 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.415 -11.277 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.572 -12.121 -0.678 1.00 0.00 H new ATOM 1212 N ALA A 79 11.810 -10.221 2.753 1.00 0.00 N ATOM 1213 CA ALA A 79 12.076 -9.588 4.035 1.00 0.00 C ATOM 1214 C ALA A 79 12.706 -8.220 3.823 1.00 0.00 C ATOM 1215 O ALA A 79 13.394 -7.989 2.830 1.00 0.00 O ATOM 1216 CB ALA A 79 12.963 -10.463 4.903 1.00 0.00 C ATOM 0 H ALA A 79 12.305 -11.099 2.599 1.00 0.00 H new ATOM 0 HA ALA A 79 11.128 -9.458 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.145 -9.965 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.469 -11.418 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.912 -10.635 4.396 1.00 0.00 H new ATOM 1222 N GLY A 80 12.439 -7.306 4.743 1.00 0.00 N ATOM 1223 CA GLY A 80 12.960 -5.961 4.617 1.00 0.00 C ATOM 1224 C GLY A 80 11.956 -5.059 3.930 1.00 0.00 C ATOM 1225 O GLY A 80 11.880 -3.864 4.215 1.00 0.00 O ATOM 0 H GLY A 80 11.871 -7.471 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.197 -5.564 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.890 -5.978 4.048 1.00 0.00 H new ATOM 1229 N ASP A 81 11.164 -5.649 3.036 1.00 0.00 N ATOM 1230 CA ASP A 81 10.133 -4.915 2.318 1.00 0.00 C ATOM 1231 C ASP A 81 8.914 -4.739 3.219 1.00 0.00 C ATOM 1232 O ASP A 81 9.029 -4.818 4.442 1.00 0.00 O ATOM 1233 CB ASP A 81 9.749 -5.663 1.038 1.00 0.00 C ATOM 1234 CG ASP A 81 10.959 -6.039 0.204 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.583 -7.079 0.500 1.00 0.00 O ATOM 1236 OD2 ASP A 81 11.280 -5.294 -0.746 1.00 0.00 O ATOM 0 H ASP A 81 11.220 -6.638 2.794 1.00 0.00 H new ATOM 0 HA ASP A 81 10.515 -3.933 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.196 -6.565 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.080 -5.041 0.443 1.00 0.00 H new ATOM 1241 N ARG A 82 7.748 -4.506 2.626 1.00 0.00 N ATOM 1242 CA ARG A 82 6.533 -4.332 3.412 1.00 0.00 C ATOM 1243 C ARG A 82 5.290 -4.687 2.607 1.00 0.00 C ATOM 1244 O ARG A 82 5.302 -4.674 1.376 1.00 0.00 O ATOM 1245 CB ARG A 82 6.427 -2.894 3.920 1.00 0.00 C ATOM 1246 CG ARG A 82 6.661 -1.847 2.842 1.00 0.00 C ATOM 1247 CD ARG A 82 7.937 -1.056 3.092 1.00 0.00 C ATOM 1248 NE ARG A 82 8.986 -1.394 2.133 1.00 0.00 N ATOM 1249 CZ ARG A 82 8.905 -1.145 0.829 1.00 0.00 C ATOM 1250 NH1 ARG A 82 7.827 -0.557 0.324 1.00 0.00 N ATOM 1251 NH2 ARG A 82 9.904 -1.484 0.026 1.00 0.00 N ATOM 0 H ARG A 82 7.619 -4.434 1.617 1.00 0.00 H new ATOM 0 HA ARG A 82 6.593 -5.012 4.262 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.438 -2.743 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.151 -2.746 4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.720 -2.334 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.811 -1.165 2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.720 0.011 3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.293 -1.252 4.103 1.00 0.00 H new ATOM 0 HE ARG A 82 9.830 -1.847 2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.055 -0.294 0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.771 -0.369 -0.677 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.735 -1.936 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.842 -1.293 -0.974 1.00 0.00 H new ATOM 1265 N VAL A 83 4.214 -4.995 3.321 1.00 0.00 N ATOM 1266 CA VAL A 83 2.949 -5.348 2.697 1.00 0.00 C ATOM 1267 C VAL A 83 1.853 -4.377 3.121 1.00 0.00 C ATOM 1268 O VAL A 83 1.650 -4.139 4.311 1.00 0.00 O ATOM 1269 CB VAL A 83 2.522 -6.783 3.065 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.244 -7.170 2.336 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.640 -7.766 2.753 1.00 0.00 C ATOM 0 H VAL A 83 4.195 -5.007 4.341 1.00 0.00 H new ATOM 0 HA VAL A 83 3.093 -5.290 1.618 1.00 0.00 H new ATOM 0 HB VAL A 83 2.322 -6.818 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.962 -8.186 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.444 -6.483 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.409 -7.118 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.323 -8.774 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.872 -7.727 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.528 -7.502 3.328 1.00 0.00 H new ATOM 1281 N VAL A 84 1.154 -3.815 2.143 1.00 0.00 N ATOM 1282 CA VAL A 84 0.086 -2.866 2.425 1.00 0.00 C ATOM 1283 C VAL A 84 -1.263 -3.569 2.518 1.00 0.00 C ATOM 1284 O VAL A 84 -1.617 -4.374 1.656 1.00 0.00 O ATOM 1285 CB VAL A 84 0.013 -1.763 1.351 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.355 -2.353 -0.003 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -0.980 -0.688 1.762 1.00 0.00 C ATOM 0 H VAL A 84 1.307 -3.999 1.151 1.00 0.00 H new ATOM 0 HA VAL A 84 0.317 -2.406 3.386 1.00 0.00 H new ATOM 0 HB VAL A 84 0.997 -1.303 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.401 -1.557 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.399 -3.083 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.327 -2.842 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.020 0.084 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.968 -1.132 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.665 -0.243 2.706 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.009 -3.264 3.573 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.318 -3.869 3.786 1.00 0.00 C ATOM 1299 C VAL A 85 -4.434 -2.849 3.577 1.00 0.00 C ATOM 1300 O VAL A 85 -4.279 -1.672 3.907 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.437 -4.472 5.199 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.538 -5.516 5.238 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.113 -5.078 5.643 1.00 0.00 C ATOM 0 H VAL A 85 -1.729 -2.600 4.295 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.422 -4.669 3.053 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.693 -3.670 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.609 -5.932 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.488 -5.054 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.309 -6.313 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.222 -5.497 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.823 -5.867 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.345 -4.305 5.655 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.555 -3.303 3.021 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.690 -2.422 2.764 1.00 0.00 C ATOM 1315 C ILE A 86 -7.542 -2.215 4.015 1.00 0.00 C ATOM 1316 O ILE A 86 -8.311 -1.257 4.096 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.582 -2.965 1.630 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -8.147 -4.336 2.001 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -6.794 -3.046 0.330 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -9.521 -4.597 1.422 1.00 0.00 C ATOM 0 H ILE A 86 -5.701 -4.273 2.741 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.271 -1.463 2.461 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.416 -2.278 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.462 -5.109 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.197 -4.418 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.437 -3.431 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.438 -2.052 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.942 -3.713 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.861 -5.587 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.219 -3.845 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.473 -4.547 0.334 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.398 -3.105 4.992 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.153 -2.996 6.235 1.00 0.00 C ATOM 1334 C ASP A 87 -7.244 -2.518 7.362 1.00 0.00 C ATOM 1335 O ASP A 87 -7.610 -1.638 8.139 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.787 -4.339 6.602 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.044 -4.620 5.803 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.763 -3.655 5.468 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.310 -5.806 5.513 1.00 0.00 O ATOM 0 H ASP A 87 -6.768 -3.906 4.947 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.951 -2.267 6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.065 -5.138 6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.026 -4.347 7.665 1.00 0.00 H new ATOM 1344 N GLY A 88 -6.049 -3.093 7.431 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.093 -2.702 8.449 1.00 0.00 C ATOM 1346 C GLY A 88 -4.402 -3.890 9.094 1.00 0.00 C ATOM 1347 O GLY A 88 -4.606 -5.032 8.684 1.00 0.00 O ATOM 0 H GLY A 88 -5.725 -3.825 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.343 -2.048 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.604 -2.123 9.218 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.590 -3.618 10.112 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.872 -4.671 10.825 1.00 0.00 C ATOM 1353 C LEU A 89 -2.054 -4.087 11.973 1.00 0.00 C ATOM 1354 O LEU A 89 -1.120 -3.317 11.751 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.959 -5.442 9.869 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.777 -6.924 10.205 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -3.104 -7.660 10.106 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.743 -7.557 9.283 1.00 0.00 C ATOM 0 H LEU A 89 -3.413 -2.677 10.462 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.608 -5.360 11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.362 -5.360 8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.980 -4.964 9.860 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.417 -7.003 11.231 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.955 -8.712 10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.815 -7.223 10.807 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.494 -7.573 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.626 -8.611 9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.074 -7.467 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.213 -7.047 9.404 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.412 -4.452 13.199 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.710 -3.957 14.378 1.00 0.00 C ATOM 1372 C ASP A 90 -1.103 -5.104 15.181 1.00 0.00 C ATOM 1373 O ASP A 90 -1.199 -5.134 16.408 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.665 -3.152 15.262 1.00 0.00 C ATOM 1375 CG ASP A 90 -2.935 -1.766 14.709 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -3.346 -1.665 13.534 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -2.736 -0.782 15.452 1.00 0.00 O ATOM 0 H ASP A 90 -3.183 -5.088 13.403 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.900 -3.311 14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.607 -3.691 15.359 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.243 -3.065 16.263 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.474 -6.046 14.483 1.00 0.00 N ATOM 1383 CA ARG A 91 0.149 -7.190 15.139 1.00 0.00 C ATOM 1384 C ARG A 91 0.844 -8.093 14.125 1.00 0.00 C ATOM 1385 O ARG A 91 0.466 -8.137 12.955 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.897 -7.994 15.914 1.00 0.00 C ATOM 1387 CG ARG A 91 -1.971 -8.607 15.029 1.00 0.00 C ATOM 1388 CD ARG A 91 -3.086 -7.615 14.740 1.00 0.00 C ATOM 1389 NE ARG A 91 -4.367 -8.281 14.520 1.00 0.00 N ATOM 1390 CZ ARG A 91 -5.132 -8.757 15.499 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -4.749 -8.645 16.765 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -6.284 -9.348 15.213 1.00 0.00 N ATOM 0 H ARG A 91 -0.383 -6.039 13.467 1.00 0.00 H new ATOM 0 HA ARG A 91 0.898 -6.809 15.834 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.396 -8.789 16.467 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.371 -7.344 16.649 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.526 -8.939 14.091 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.385 -9.490 15.516 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.178 -6.919 15.574 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.828 -7.026 13.860 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.694 -8.387 13.560 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.864 -8.192 16.992 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.340 -9.012 17.511 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.584 -9.438 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.870 -9.713 15.964 1.00 0.00 H new ATOM 1406 N MET A 92 1.859 -8.818 14.587 1.00 0.00 N ATOM 1407 CA MET A 92 2.606 -9.727 13.725 1.00 0.00 C ATOM 1408 C MET A 92 1.672 -10.754 13.092 1.00 0.00 C ATOM 1409 O MET A 92 0.946 -11.459 13.793 1.00 0.00 O ATOM 1410 CB MET A 92 3.698 -10.435 14.525 1.00 0.00 C ATOM 1411 CG MET A 92 4.994 -10.615 13.753 1.00 0.00 C ATOM 1412 SD MET A 92 6.244 -11.512 14.691 1.00 0.00 S ATOM 1413 CE MET A 92 7.709 -11.148 13.727 1.00 0.00 C ATOM 0 H MET A 92 2.183 -8.793 15.554 1.00 0.00 H new ATOM 0 HA MET A 92 3.071 -9.144 12.930 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.901 -9.865 15.432 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.332 -11.413 14.838 1.00 0.00 H new ATOM 0 HG2 MET A 92 4.788 -11.150 12.826 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.386 -9.636 13.476 1.00 0.00 H new ATOM 0 HE1 MET A 92 8.143 -12.078 13.359 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.440 -10.514 12.882 1.00 0.00 H new ATOM 0 HE3 MET A 92 8.437 -10.630 14.352 1.00 0.00 H new ATOM 1423 N ALA A 93 1.686 -10.828 11.765 1.00 0.00 N ATOM 1424 CA ALA A 93 0.825 -11.768 11.051 1.00 0.00 C ATOM 1425 C ALA A 93 1.582 -12.521 9.963 1.00 0.00 C ATOM 1426 O ALA A 93 2.219 -11.918 9.103 1.00 0.00 O ATOM 1427 CB ALA A 93 -0.366 -11.037 10.452 1.00 0.00 C ATOM 0 H ALA A 93 2.278 -10.254 11.165 1.00 0.00 H new ATOM 0 HA ALA A 93 0.472 -12.504 11.774 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.000 -11.748 9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.939 -10.562 11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.013 -10.276 9.755 1.00 0.00 H new ATOM 1433 N HIS A 94 1.501 -13.848 10.005 1.00 0.00 N ATOM 1434 CA HIS A 94 2.177 -14.685 9.021 1.00 0.00 C ATOM 1435 C HIS A 94 1.685 -14.381 7.608 1.00 0.00 C ATOM 1436 O HIS A 94 0.499 -14.129 7.392 1.00 0.00 O ATOM 1437 CB HIS A 94 1.979 -16.172 9.361 1.00 0.00 C ATOM 1438 CG HIS A 94 0.951 -16.868 8.518 1.00 0.00 C ATOM 1439 ND1 HIS A 94 1.237 -17.965 7.734 1.00 0.00 N ATOM 1440 CD2 HIS A 94 -0.367 -16.612 8.337 1.00 0.00 C ATOM 1441 CE1 HIS A 94 0.142 -18.354 7.105 1.00 0.00 C ATOM 1442 NE2 HIS A 94 -0.844 -17.550 7.455 1.00 0.00 N ATOM 0 H HIS A 94 0.975 -14.365 10.709 1.00 0.00 H new ATOM 0 HA HIS A 94 3.243 -14.459 9.055 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.933 -16.688 9.250 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.691 -16.258 10.409 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.152 -18.408 7.652 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.936 -15.819 8.800 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.067 -19.187 6.422 1.00 0.00 H new ATOM 1451 N PHE A 95 2.608 -14.405 6.653 1.00 0.00 N ATOM 1452 CA PHE A 95 2.276 -14.129 5.259 1.00 0.00 C ATOM 1453 C PHE A 95 2.917 -15.151 4.315 1.00 0.00 C ATOM 1454 O PHE A 95 2.752 -15.064 3.098 1.00 0.00 O ATOM 1455 CB PHE A 95 2.730 -12.714 4.885 1.00 0.00 C ATOM 1456 CG PHE A 95 2.519 -12.371 3.437 1.00 0.00 C ATOM 1457 CD1 PHE A 95 1.266 -12.006 2.973 1.00 0.00 C ATOM 1458 CD2 PHE A 95 3.575 -12.414 2.542 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.070 -11.690 1.642 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.386 -12.100 1.210 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.132 -11.738 0.759 1.00 0.00 C ATOM 0 H PHE A 95 3.593 -14.613 6.818 1.00 0.00 H new ATOM 0 HA PHE A 95 1.194 -14.206 5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.190 -11.995 5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.788 -12.607 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.433 -11.968 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.558 -12.696 2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.088 -11.406 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.218 -12.138 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.981 -11.493 -0.282 1.00 0.00 H new ATOM 1471 N LYS A 96 3.647 -16.118 4.872 1.00 0.00 N ATOM 1472 CA LYS A 96 4.299 -17.138 4.058 1.00 0.00 C ATOM 1473 C LYS A 96 4.709 -18.335 4.908 1.00 0.00 C ATOM 1474 O LYS A 96 4.289 -18.463 6.059 1.00 0.00 O ATOM 1475 CB LYS A 96 5.524 -16.547 3.354 1.00 0.00 C ATOM 1476 CG LYS A 96 5.630 -16.940 1.889 1.00 0.00 C ATOM 1477 CD LYS A 96 5.342 -15.761 0.973 1.00 0.00 C ATOM 1478 CE LYS A 96 6.621 -15.058 0.549 1.00 0.00 C ATOM 1479 NZ LYS A 96 6.358 -13.971 -0.435 1.00 0.00 N ATOM 0 H LYS A 96 3.800 -16.214 5.876 1.00 0.00 H new ATOM 0 HA LYS A 96 3.587 -17.481 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.487 -15.460 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.425 -16.872 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.630 -17.324 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.929 -17.747 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.807 -16.108 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.689 -15.053 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.114 -14.641 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.307 -15.784 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.161 -13.310 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.236 -14.382 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.493 -13.461 -0.165 1.00 0.00 H new ATOM 1493 N ASP A 97 5.532 -19.210 4.335 1.00 0.00 N ATOM 1494 CA ASP A 97 6.001 -20.401 5.039 1.00 0.00 C ATOM 1495 C ASP A 97 6.469 -20.055 6.450 1.00 0.00 C ATOM 1496 O ASP A 97 6.118 -20.734 7.415 1.00 0.00 O ATOM 1497 CB ASP A 97 7.139 -21.065 4.262 1.00 0.00 C ATOM 1498 CG ASP A 97 7.122 -22.575 4.388 1.00 0.00 C ATOM 1499 OD1 ASP A 97 7.621 -23.091 5.411 1.00 0.00 O ATOM 1500 OD2 ASP A 97 6.610 -23.243 3.465 1.00 0.00 O ATOM 0 H ASP A 97 5.888 -19.116 3.384 1.00 0.00 H new ATOM 0 HA ASP A 97 5.166 -21.097 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.065 -20.790 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.094 -20.684 4.625 1.00 0.00 H new ATOM 1505 N ASP A 98 7.260 -18.992 6.563 1.00 0.00 N ATOM 1506 CA ASP A 98 7.770 -18.558 7.858 1.00 0.00 C ATOM 1507 C ASP A 98 8.018 -17.051 7.885 1.00 0.00 C ATOM 1508 O ASP A 98 8.755 -16.553 8.734 1.00 0.00 O ATOM 1509 CB ASP A 98 9.058 -19.309 8.200 1.00 0.00 C ATOM 1510 CG ASP A 98 8.842 -20.381 9.249 1.00 0.00 C ATOM 1511 OD1 ASP A 98 7.894 -21.180 9.096 1.00 0.00 O ATOM 1512 OD2 ASP A 98 9.619 -20.422 10.227 1.00 0.00 O ATOM 0 H ASP A 98 7.561 -18.417 5.776 1.00 0.00 H new ATOM 0 HA ASP A 98 7.012 -18.787 8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.460 -19.766 7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.804 -18.600 8.558 1.00 0.00 H new ATOM 1517 N LEU A 99 7.393 -16.327 6.961 1.00 0.00 N ATOM 1518 CA LEU A 99 7.543 -14.879 6.896 1.00 0.00 C ATOM 1519 C LEU A 99 6.260 -14.198 7.351 1.00 0.00 C ATOM 1520 O LEU A 99 5.187 -14.448 6.801 1.00 0.00 O ATOM 1521 CB LEU A 99 7.889 -14.440 5.472 1.00 0.00 C ATOM 1522 CG LEU A 99 9.331 -14.711 5.041 1.00 0.00 C ATOM 1523 CD1 LEU A 99 9.582 -14.161 3.646 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.307 -14.108 6.039 1.00 0.00 C ATOM 0 H LEU A 99 6.779 -16.720 6.248 1.00 0.00 H new ATOM 0 HA LEU A 99 8.356 -14.586 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.218 -14.947 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.694 -13.372 5.380 1.00 0.00 H new ATOM 0 HG LEU A 99 9.488 -15.789 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.613 -14.363 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.905 -14.640 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.408 -13.085 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.328 -14.310 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.151 -13.031 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.142 -14.550 7.022 1.00 0.00 H new ATOM 1536 N VAL A 100 6.366 -13.343 8.362 1.00 0.00 N ATOM 1537 CA VAL A 100 5.200 -12.645 8.884 1.00 0.00 C ATOM 1538 C VAL A 100 5.234 -11.161 8.555 1.00 0.00 C ATOM 1539 O VAL A 100 6.170 -10.665 7.928 1.00 0.00 O ATOM 1540 CB VAL A 100 5.069 -12.801 10.412 1.00 0.00 C ATOM 1541 CG1 VAL A 100 4.905 -14.262 10.801 1.00 0.00 C ATOM 1542 CG2 VAL A 100 6.258 -12.181 11.126 1.00 0.00 C ATOM 0 H VAL A 100 7.242 -13.118 8.833 1.00 0.00 H new ATOM 0 HA VAL A 100 4.340 -13.106 8.399 1.00 0.00 H new ATOM 0 HB VAL A 100 4.172 -12.268 10.726 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.815 -14.342 11.884 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.008 -14.665 10.331 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.775 -14.827 10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.141 -12.305 12.203 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.175 -12.674 10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.313 -11.119 10.887 1.00 0.00 H new ATOM 1552 N LEU A 101 4.196 -10.464 8.995 1.00 0.00 N ATOM 1553 CA LEU A 101 4.071 -9.035 8.773 1.00 0.00 C ATOM 1554 C LEU A 101 3.884 -8.317 10.101 1.00 0.00 C ATOM 1555 O LEU A 101 2.960 -8.621 10.853 1.00 0.00 O ATOM 1556 CB LEU A 101 2.877 -8.758 7.862 1.00 0.00 C ATOM 1557 CG LEU A 101 3.176 -8.815 6.366 1.00 0.00 C ATOM 1558 CD1 LEU A 101 1.881 -8.847 5.568 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.033 -7.629 5.954 1.00 0.00 C ATOM 0 H LEU A 101 3.420 -10.874 9.514 1.00 0.00 H new ATOM 0 HA LEU A 101 4.980 -8.667 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.093 -9.480 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.480 -7.771 8.100 1.00 0.00 H new ATOM 0 HG LEU A 101 3.731 -9.729 6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.111 -8.888 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.303 -9.727 5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.301 -7.949 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.238 -7.683 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.503 -6.703 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.973 -7.650 6.506 1.00 0.00 H new ATOM 1571 N VAL A 102 4.762 -7.365 10.388 1.00 0.00 N ATOM 1572 CA VAL A 102 4.682 -6.615 11.633 1.00 0.00 C ATOM 1573 C VAL A 102 4.167 -5.201 11.388 1.00 0.00 C ATOM 1574 O VAL A 102 4.590 -4.540 10.441 1.00 0.00 O ATOM 1575 CB VAL A 102 6.054 -6.528 12.330 1.00 0.00 C ATOM 1576 CG1 VAL A 102 5.906 -5.956 13.731 1.00 0.00 C ATOM 1577 CG2 VAL A 102 6.727 -7.893 12.369 1.00 0.00 C ATOM 0 H VAL A 102 5.534 -7.095 9.778 1.00 0.00 H new ATOM 0 HA VAL A 102 3.987 -7.152 12.279 1.00 0.00 H new ATOM 0 HB VAL A 102 6.689 -5.856 11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.885 -5.902 14.207 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.476 -4.956 13.672 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.251 -6.599 14.319 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.694 -7.808 12.865 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.098 -8.593 12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.872 -8.256 11.352 1.00 0.00 H new ATOM 1587 N PRO A 103 3.253 -4.710 12.243 1.00 0.00 N ATOM 1588 CA PRO A 103 2.696 -3.363 12.111 1.00 0.00 C ATOM 1589 C PRO A 103 3.789 -2.323 11.891 1.00 0.00 C ATOM 1590 O PRO A 103 4.720 -2.210 12.689 1.00 0.00 O ATOM 1591 CB PRO A 103 1.986 -3.124 13.456 1.00 0.00 C ATOM 1592 CG PRO A 103 2.366 -4.280 14.329 1.00 0.00 C ATOM 1593 CD PRO A 103 2.693 -5.413 13.401 1.00 0.00 C ATOM 0 HA PRO A 103 2.030 -3.276 11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.298 -2.179 13.901 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.905 -3.072 13.324 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.222 -4.030 14.956 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.549 -4.548 14.998 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.409 -6.107 13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.808 -5.992 13.137 1.00 0.00 H new ATOM 1601 N LEU A 104 3.682 -1.577 10.796 1.00 0.00 N ATOM 1602 CA LEU A 104 4.678 -0.563 10.470 1.00 0.00 C ATOM 1603 C LEU A 104 4.044 0.818 10.317 1.00 0.00 C ATOM 1604 O LEU A 104 4.496 1.783 10.933 1.00 0.00 O ATOM 1605 CB LEU A 104 5.413 -0.950 9.185 1.00 0.00 C ATOM 1606 CG LEU A 104 6.835 -0.403 9.060 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.733 -0.994 10.136 1.00 0.00 C ATOM 1608 CD2 LEU A 104 7.395 -0.692 7.676 1.00 0.00 C ATOM 0 H LEU A 104 2.920 -1.655 10.123 1.00 0.00 H new ATOM 0 HA LEU A 104 5.389 -0.512 11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.452 -2.037 9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.830 -0.601 8.333 1.00 0.00 H new ATOM 0 HG LEU A 104 6.802 0.678 9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.741 -0.592 10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.341 -0.735 11.120 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.762 -2.079 10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.408 -0.296 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.413 -1.769 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.766 -0.218 6.923 1.00 0.00 H new ATOM 1620 N THR A 105 3.002 0.915 9.495 1.00 0.00 N ATOM 1621 CA THR A 105 2.331 2.194 9.282 1.00 0.00 C ATOM 1622 C THR A 105 0.839 2.012 9.051 1.00 0.00 C ATOM 1623 O THR A 105 0.423 1.300 8.144 1.00 0.00 O ATOM 1624 CB THR A 105 2.961 2.930 8.099 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.373 2.811 8.129 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.628 4.406 8.065 1.00 0.00 C ATOM 0 H THR A 105 2.608 0.133 8.971 1.00 0.00 H new ATOM 0 HA THR A 105 2.458 2.790 10.186 1.00 0.00 H new ATOM 0 HB THR A 105 2.542 2.458 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.758 3.287 7.364 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.107 4.867 7.201 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.548 4.534 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.989 4.882 8.977 1.00 0.00 H new ATOM 1634 N THR A 106 0.041 2.676 9.884 1.00 0.00 N ATOM 1635 CA THR A 106 -1.410 2.602 9.783 1.00 0.00 C ATOM 1636 C THR A 106 -2.001 3.972 9.472 1.00 0.00 C ATOM 1637 O THR A 106 -1.811 4.927 10.224 1.00 0.00 O ATOM 1638 CB THR A 106 -2.004 2.067 11.090 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.340 0.884 11.503 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.481 1.756 10.992 1.00 0.00 C ATOM 0 H THR A 106 0.379 3.273 10.639 1.00 0.00 H new ATOM 0 HA THR A 106 -1.660 1.922 8.969 1.00 0.00 H new ATOM 0 HB THR A 106 -1.864 2.868 11.816 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.735 0.562 12.340 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.838 1.381 11.951 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.027 2.662 10.730 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.643 1.000 10.224 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.720 4.063 8.359 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.339 5.320 7.953 1.00 0.00 C ATOM 1650 C LYS A 107 -4.668 5.072 7.249 1.00 0.00 C ATOM 1651 O LYS A 107 -4.775 4.197 6.391 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.397 6.103 7.036 1.00 0.00 C ATOM 1653 CG LYS A 107 -1.456 7.033 7.783 1.00 0.00 C ATOM 1654 CD LYS A 107 -0.829 8.058 6.852 1.00 0.00 C ATOM 1655 CE LYS A 107 0.445 8.641 7.443 1.00 0.00 C ATOM 1656 NZ LYS A 107 1.540 7.635 7.509 1.00 0.00 N ATOM 0 H LYS A 107 -2.889 3.284 7.723 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.532 5.908 8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.808 5.399 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.990 6.688 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.002 7.546 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.671 6.449 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.606 7.591 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.542 8.860 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.769 9.490 6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.240 9.020 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.563 7.209 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.373 6.893 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.450 8.099 7.316 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.679 5.853 7.617 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.002 5.721 7.021 1.00 0.00 C ATOM 1672 C VAL A 108 -7.226 6.782 5.952 1.00 0.00 C ATOM 1673 O VAL A 108 -6.785 7.923 6.093 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.115 5.836 8.081 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.455 5.413 7.499 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.772 5.005 9.311 1.00 0.00 C ATOM 0 H VAL A 108 -5.606 6.584 8.325 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.047 4.731 6.568 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.192 6.879 8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.228 5.501 8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.704 6.056 6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.395 4.378 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.570 5.099 10.048 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.664 3.959 9.025 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.836 5.362 9.742 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.909 6.398 4.881 1.00 0.00 N ATOM 1687 CA VAL A 109 -8.188 7.314 3.784 1.00 0.00 C ATOM 1688 C VAL A 109 -9.581 7.072 3.209 1.00 0.00 C ATOM 1689 O VAL A 109 -9.901 5.965 2.775 1.00 0.00 O ATOM 1690 CB VAL A 109 -7.140 7.168 2.663 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -7.092 5.731 2.169 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -7.433 8.128 1.519 1.00 0.00 C ATOM 0 H VAL A 109 -8.280 5.457 4.749 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.141 8.326 4.186 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.162 7.424 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.348 5.643 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.824 5.071 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.070 5.447 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.680 8.006 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.419 7.913 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.410 9.153 1.889 1.00 0.00 H new ATOM 1702 N GLY A 110 -10.404 8.115 3.210 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.753 7.996 2.687 1.00 0.00 C ATOM 1704 C GLY A 110 -12.578 6.972 3.440 1.00 0.00 C ATOM 1705 O GLY A 110 -13.421 6.291 2.853 1.00 0.00 O ATOM 0 H GLY A 110 -10.161 9.041 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.247 8.966 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.708 7.719 1.634 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.336 6.862 4.741 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.071 5.911 5.555 1.00 0.00 C ATOM 1711 C GLY A 111 -12.575 4.490 5.373 1.00 0.00 C ATOM 1712 O GLY A 111 -13.337 3.536 5.530 1.00 0.00 O ATOM 0 H GLY A 111 -11.644 7.414 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.984 6.192 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.129 5.959 5.299 1.00 0.00 H new ATOM 1716 N SER A 112 -11.296 4.350 5.040 1.00 0.00 N ATOM 1717 CA SER A 112 -10.698 3.035 4.837 1.00 0.00 C ATOM 1718 C SER A 112 -9.305 2.973 5.452 1.00 0.00 C ATOM 1719 O SER A 112 -8.408 3.722 5.062 1.00 0.00 O ATOM 1720 CB SER A 112 -10.626 2.710 3.343 1.00 0.00 C ATOM 1721 OG SER A 112 -11.915 2.730 2.753 1.00 0.00 O ATOM 0 H SER A 112 -10.654 5.131 4.905 1.00 0.00 H new ATOM 0 HA SER A 112 -11.327 2.295 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.982 3.432 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 112 -10.174 1.728 3.203 1.00 0.00 H new ATOM 0 HG SER A 112 -11.841 2.521 1.798 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.131 2.078 6.417 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.847 1.917 7.090 1.00 0.00 C ATOM 1729 C ARG A 113 -6.803 1.330 6.147 1.00 0.00 C ATOM 1730 O ARG A 113 -7.122 0.520 5.278 1.00 0.00 O ATOM 1731 CB ARG A 113 -8.003 1.019 8.318 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.401 1.770 9.578 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.446 0.848 10.786 1.00 0.00 C ATOM 1734 NE ARG A 113 -9.812 0.466 11.134 1.00 0.00 N ATOM 1735 CZ ARG A 113 -10.115 -0.472 12.027 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -9.153 -1.128 12.664 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -11.385 -0.756 12.285 1.00 0.00 N ATOM 0 H ARG A 113 -9.863 1.452 6.752 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.507 2.903 7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.754 0.258 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.063 0.498 8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.691 2.577 9.761 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.378 2.231 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.861 -0.048 10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.980 1.344 11.638 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.579 0.947 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.175 -0.914 12.470 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.392 -1.846 13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.129 -0.255 11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.618 -1.475 12.970 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.553 1.740 6.327 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.459 1.254 5.496 1.00 0.00 C ATOM 1753 C CYS A 114 -3.206 1.021 6.336 1.00 0.00 C ATOM 1754 O CYS A 114 -2.527 1.970 6.728 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.160 2.252 4.375 1.00 0.00 C ATOM 1756 SG CYS A 114 -5.631 2.853 3.512 1.00 0.00 S ATOM 0 H CYS A 114 -5.272 2.410 7.043 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.762 0.305 5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -3.624 3.104 4.794 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.494 1.781 3.652 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.484 2.680 2.232 1.00 0.00 H new ATOM 1762 N THR A 115 -2.906 -0.245 6.613 1.00 0.00 N ATOM 1763 CA THR A 115 -1.736 -0.592 7.411 1.00 0.00 C ATOM 1764 C THR A 115 -0.644 -1.221 6.553 1.00 0.00 C ATOM 1765 O THR A 115 -0.918 -2.030 5.667 1.00 0.00 O ATOM 1766 CB THR A 115 -2.113 -1.563 8.532 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.063 -0.978 9.405 1.00 0.00 O ATOM 1768 CG2 THR A 115 -0.930 -2.005 9.367 1.00 0.00 C ATOM 0 H THR A 115 -3.455 -1.044 6.298 1.00 0.00 H new ATOM 0 HA THR A 115 -1.356 0.334 7.843 1.00 0.00 H new ATOM 0 HB THR A 115 -2.526 -2.437 8.029 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.665 -0.867 10.294 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.269 -2.692 10.143 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.202 -2.508 8.730 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.466 -1.134 9.831 1.00 0.00 H new ATOM 1776 N ILE A 116 0.597 -0.865 6.855 1.00 0.00 N ATOM 1777 CA ILE A 116 1.749 -1.408 6.154 1.00 0.00 C ATOM 1778 C ILE A 116 2.631 -2.150 7.155 1.00 0.00 C ATOM 1779 O ILE A 116 2.880 -1.650 8.252 1.00 0.00 O ATOM 1780 CB ILE A 116 2.540 -0.290 5.419 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.636 -0.602 3.927 1.00 0.00 C ATOM 1782 CG2 ILE A 116 3.931 -0.087 6.004 1.00 0.00 C ATOM 1783 CD1 ILE A 116 3.096 0.579 3.101 1.00 0.00 C ATOM 0 H ILE A 116 0.831 -0.196 7.588 1.00 0.00 H new ATOM 0 HA ILE A 116 1.410 -2.106 5.389 1.00 0.00 H new ATOM 0 HB ILE A 116 1.990 0.640 5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.327 -1.432 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.661 -0.931 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 116 4.444 0.704 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.847 0.194 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.500 -1.013 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.143 0.292 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.392 1.403 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.084 0.894 3.436 1.00 0.00 H new ATOM 1795 N CYS A 117 3.067 -3.356 6.805 1.00 0.00 N ATOM 1796 CA CYS A 117 3.875 -4.149 7.724 1.00 0.00 C ATOM 1797 C CYS A 117 5.149 -4.682 7.083 1.00 0.00 C ATOM 1798 O CYS A 117 5.144 -5.132 5.937 1.00 0.00 O ATOM 1799 CB CYS A 117 3.050 -5.323 8.252 1.00 0.00 C ATOM 1800 SG CYS A 117 1.593 -4.838 9.205 1.00 0.00 S ATOM 0 H CYS A 117 2.878 -3.800 5.906 1.00 0.00 H new ATOM 0 HA CYS A 117 4.171 -3.487 8.538 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.731 -5.936 7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.688 -5.948 8.877 1.00 0.00 H new ATOM 0 HG CYS A 117 1.575 -5.488 10.331 1.00 0.00 H new ATOM 1806 N ASP A 118 6.234 -4.657 7.852 1.00 0.00 N ATOM 1807 CA ASP A 118 7.515 -5.170 7.388 1.00 0.00 C ATOM 1808 C ASP A 118 7.479 -6.691 7.367 1.00 0.00 C ATOM 1809 O ASP A 118 6.946 -7.318 8.283 1.00 0.00 O ATOM 1810 CB ASP A 118 8.647 -4.681 8.294 1.00 0.00 C ATOM 1811 CG ASP A 118 10.013 -4.867 7.663 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.442 -3.976 6.900 1.00 0.00 O ATOM 1813 OD2 ASP A 118 10.656 -5.903 7.933 1.00 0.00 O ATOM 0 H ASP A 118 6.249 -4.285 8.802 1.00 0.00 H new ATOM 0 HA ASP A 118 7.699 -4.801 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.496 -3.626 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.610 -5.221 9.240 1.00 0.00 H new ATOM 1818 N VAL A 119 8.038 -7.284 6.322 1.00 0.00 N ATOM 1819 CA VAL A 119 8.052 -8.732 6.198 1.00 0.00 C ATOM 1820 C VAL A 119 9.269 -9.311 6.903 1.00 0.00 C ATOM 1821 O VAL A 119 10.406 -9.040 6.521 1.00 0.00 O ATOM 1822 CB VAL A 119 8.047 -9.173 4.722 1.00 0.00 C ATOM 1823 CG1 VAL A 119 7.583 -10.617 4.601 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.162 -8.250 3.890 1.00 0.00 C ATOM 0 H VAL A 119 8.485 -6.787 5.552 1.00 0.00 H new ATOM 0 HA VAL A 119 7.145 -9.111 6.669 1.00 0.00 H new ATOM 0 HB VAL A 119 9.065 -9.106 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.585 -10.913 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.257 -11.264 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 119 6.574 -10.710 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.171 -8.577 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.142 -8.283 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.540 -7.230 3.952 1.00 0.00 H new ATOM 1834 N VAL A 120 9.027 -10.092 7.947 1.00 0.00 N ATOM 1835 CA VAL A 120 10.116 -10.687 8.710 1.00 0.00 C ATOM 1836 C VAL A 120 9.859 -12.163 8.980 1.00 0.00 C ATOM 1837 O VAL A 120 8.713 -12.592 9.100 1.00 0.00 O ATOM 1838 CB VAL A 120 10.327 -9.947 10.047 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.291 -8.786 9.863 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.000 -9.456 10.607 1.00 0.00 C ATOM 0 H VAL A 120 8.093 -10.327 8.283 1.00 0.00 H new ATOM 0 HA VAL A 120 11.019 -10.593 8.107 1.00 0.00 H new ATOM 0 HB VAL A 120 10.759 -10.647 10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.430 -8.274 10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.251 -9.163 9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 120 10.884 -8.088 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.173 -8.937 11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.536 -8.772 9.896 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.340 -10.306 10.776 1.00 0.00 H new ATOM 1850 N LYS A 121 10.934 -12.939 9.067 1.00 0.00 N ATOM 1851 CA LYS A 121 10.823 -14.371 9.311 1.00 0.00 C ATOM 1852 C LYS A 121 10.457 -14.654 10.765 1.00 0.00 C ATOM 1853 O LYS A 121 10.817 -13.898 11.667 1.00 0.00 O ATOM 1854 CB LYS A 121 12.134 -15.072 8.956 1.00 0.00 C ATOM 1855 CG LYS A 121 12.076 -16.583 9.109 1.00 0.00 C ATOM 1856 CD LYS A 121 13.437 -17.219 8.873 1.00 0.00 C ATOM 1857 CE LYS A 121 13.777 -17.272 7.393 1.00 0.00 C ATOM 1858 NZ LYS A 121 14.680 -18.412 7.071 1.00 0.00 N ATOM 0 H LYS A 121 11.891 -12.600 8.972 1.00 0.00 H new ATOM 0 HA LYS A 121 10.027 -14.760 8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.399 -14.829 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.929 -14.681 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 121 11.724 -16.835 10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.354 -16.994 8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.202 -16.652 9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.445 -18.228 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 121 12.859 -17.361 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.252 -16.337 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.888 -18.413 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 15.567 -18.314 7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 14.216 -19.306 7.331 1.00 0.00 H new ATOM 1872 N GLU A 122 9.738 -15.750 10.980 1.00 0.00 N ATOM 1873 CA GLU A 122 9.317 -16.142 12.319 1.00 0.00 C ATOM 1874 C GLU A 122 10.363 -17.034 12.979 1.00 0.00 C ATOM 1875 O GLU A 122 10.735 -18.076 12.438 1.00 0.00 O ATOM 1876 CB GLU A 122 7.972 -16.870 12.259 1.00 0.00 C ATOM 1877 CG GLU A 122 8.024 -18.187 11.503 1.00 0.00 C ATOM 1878 CD GLU A 122 6.651 -18.673 11.084 1.00 0.00 C ATOM 1879 OE1 GLU A 122 5.930 -17.907 10.411 1.00 0.00 O ATOM 1880 OE2 GLU A 122 6.296 -19.820 11.427 1.00 0.00 O ATOM 0 H GLU A 122 9.434 -16.384 10.241 1.00 0.00 H new ATOM 0 HA GLU A 122 9.207 -15.238 12.919 1.00 0.00 H new ATOM 0 HB2 GLU A 122 7.625 -17.058 13.275 1.00 0.00 H new ATOM 0 HB3 GLU A 122 7.237 -16.219 11.786 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.649 -18.069 10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.497 -18.943 12.130 1.00 0.00 H new