USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 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 13 CYS SG : rot -122:sc= -1.41! USER MOD Set 1.2: A 16 CYS SG : rot -100:sc= -0.457 USER MOD Set 1.3: A 29 CYS SG : rot 166:sc= -5.18! USER MOD Set 1.4: A 32 CYS SG : rot -49:sc= 0.656 USER MOD Set 1.5: A 34 SER OG : rot 95:sc= 0.0127 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0.104 K(o=0.1,f=-6.8!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 19:sc= 0.804 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 MET CE :methyl 161:sc= -0.171 (180deg=-0.718) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 180:sc= 0 USER MOD Single : C 28 THR OG1 : rot 37:sc= -3.45! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.06 USER MOD Single : C 36 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.78) USER MOD Single : C 37 MET CE :methyl -118:sc= -0.314 (180deg=-1.06) USER MOD Single : C 38 ASN : amide:sc= -4 K(o=-4,f=-3) USER MOD Single : C 40 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.893) USER MOD Single : C 43 LYS NZ :NH3+ 143:sc= 1.36 (180deg=0.114) USER MOD Single : C 45 HIS : no HD1:sc= -0.0879 X(o=-0.088,f=-0.017) USER MOD Single : C 49 SER OG : rot -170:sc= -0.167 USER MOD Single : C 51 SER OG : rot -11:sc= 1.04 USER MOD Single : C 54 SER OG : rot 150:sc= 0.0891 USER MOD Single : C 56 LYS NZ :NH3+ -163:sc= 1.29 (180deg=0.592) USER MOD Single : C 57 GLN : amide:sc= -9.78! C(o=-9.8!,f=-19!) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.101 USER MOD Single : C 62 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.086) USER MOD Single : C 67 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : C 70 LYS NZ :NH3+ 166:sc=-0.00535 (180deg=-0.133) USER MOD Single : C 71 LYS NZ :NH3+ -163:sc= -0.0568 (180deg=-0.309) USER MOD Single : C 73 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : C 75 TYR OH : rot 106:sc= 0.877 USER MOD Single : C 76 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.37) USER MOD Single : C 80 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.115) USER MOD Single : C 83 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 137 N ARG A 10 -12.895 -9.567 8.177 1.00 0.00 N ATOM 138 CA ARG A 10 -13.026 -8.120 8.194 1.00 0.00 C ATOM 139 C ARG A 10 -12.033 -7.467 7.234 1.00 0.00 C ATOM 140 O ARG A 10 -10.843 -7.355 7.520 1.00 0.00 O ATOM 141 CB ARG A 10 -12.867 -7.561 9.618 1.00 0.00 C ATOM 142 CG ARG A 10 -11.605 -8.011 10.331 1.00 0.00 C ATOM 143 CD ARG A 10 -11.513 -7.408 11.719 1.00 0.00 C ATOM 144 NE ARG A 10 -10.299 -7.823 12.408 1.00 0.00 N ATOM 145 CZ ARG A 10 -10.273 -8.260 13.662 1.00 0.00 C ATOM 146 NH1 ARG A 10 -11.403 -8.346 14.357 1.00 0.00 N ATOM 147 NH2 ARG A 10 -9.127 -8.626 14.218 1.00 0.00 N ATOM 0 HA ARG A 10 -14.032 -7.876 7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.874 -6.472 9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.731 -7.860 10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.593 -9.099 10.403 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.731 -7.721 9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.536 -6.321 11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.383 -7.706 12.304 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.417 -7.775 11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.288 -8.077 13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.385 -8.681 15.320 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.260 -8.573 13.683 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.112 -8.961 15.181 1.00 0.00 H new ATOM 161 N TYR A 11 -12.524 -7.075 6.073 1.00 0.00 N ATOM 162 CA TYR A 11 -11.739 -6.275 5.143 1.00 0.00 C ATOM 163 C TYR A 11 -12.446 -4.977 4.901 1.00 0.00 C ATOM 164 O TYR A 11 -13.621 -4.832 5.213 1.00 0.00 O ATOM 165 CB TYR A 11 -11.539 -6.981 3.801 1.00 0.00 C ATOM 166 CG TYR A 11 -10.451 -7.986 3.774 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.538 -9.134 4.537 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.337 -7.786 2.982 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.536 -10.068 4.514 1.00 0.00 C ATOM 170 CE2 TYR A 11 -8.321 -8.713 2.955 1.00 0.00 C ATOM 171 CZ TYR A 11 -8.420 -9.857 3.725 1.00 0.00 C ATOM 172 OH TYR A 11 -7.408 -10.783 3.705 1.00 0.00 O ATOM 0 H TYR A 11 -13.465 -7.297 5.748 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.758 -6.114 5.589 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.472 -7.471 3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.336 -6.228 3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.406 -9.297 5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.263 -6.894 2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.617 -10.965 5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.451 -8.548 2.336 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.700 -10.481 3.098 1.00 0.00 H new ATOM 182 N PHE A 12 -11.746 -4.062 4.301 1.00 0.00 N ATOM 183 CA PHE A 12 -12.303 -2.751 4.034 1.00 0.00 C ATOM 184 C PHE A 12 -11.873 -2.263 2.673 1.00 0.00 C ATOM 185 O PHE A 12 -10.691 -2.036 2.424 1.00 0.00 O ATOM 186 CB PHE A 12 -11.914 -1.712 5.098 1.00 0.00 C ATOM 187 CG PHE A 12 -12.618 -0.397 4.894 1.00 0.00 C ATOM 188 CD1 PHE A 12 -13.982 -0.292 5.121 1.00 0.00 C ATOM 189 CD2 PHE A 12 -11.931 0.724 4.451 1.00 0.00 C ATOM 190 CE1 PHE A 12 -14.645 0.900 4.913 1.00 0.00 C ATOM 191 CE2 PHE A 12 -12.593 1.921 4.238 1.00 0.00 C ATOM 192 CZ PHE A 12 -13.949 2.009 4.470 1.00 0.00 C ATOM 0 H PHE A 12 -10.785 -4.190 3.983 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.387 -2.862 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.154 -2.101 6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.836 -1.553 5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.533 -1.155 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.868 0.662 4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.707 0.966 5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.047 2.786 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.467 2.943 4.306 1.00 0.00 H new ATOM 202 N CYS A 13 -12.831 -2.121 1.787 1.00 0.00 N ATOM 203 CA CYS A 13 -12.561 -1.548 0.498 1.00 0.00 C ATOM 204 C CYS A 13 -12.881 -0.065 0.524 1.00 0.00 C ATOM 205 O CYS A 13 -14.036 0.334 0.701 1.00 0.00 O ATOM 206 CB CYS A 13 -13.336 -2.269 -0.592 1.00 0.00 C ATOM 207 SG CYS A 13 -13.798 -1.240 -2.006 1.00 0.00 S ATOM 0 H CYS A 13 -13.802 -2.395 1.939 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.502 -1.669 0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.737 -3.106 -0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.242 -2.690 -0.156 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.089 -1.260 -2.154 1.00 0.00 H new ATOM 212 N HIS A 14 -11.852 0.746 0.359 1.00 0.00 N ATOM 213 CA HIS A 14 -11.993 2.188 0.440 1.00 0.00 C ATOM 214 C HIS A 14 -12.774 2.732 -0.753 1.00 0.00 C ATOM 215 O HIS A 14 -13.292 3.846 -0.710 1.00 0.00 O ATOM 216 CB HIS A 14 -10.633 2.846 0.523 1.00 0.00 C ATOM 217 CG HIS A 14 -9.874 2.564 1.788 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.616 3.522 2.746 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.283 1.428 2.232 1.00 0.00 C ATOM 220 CE1 HIS A 14 -8.898 2.990 3.715 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.685 1.724 3.430 1.00 0.00 N ATOM 0 H HIS A 14 -10.902 0.427 0.167 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.553 2.422 1.345 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.033 2.517 -0.325 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.760 3.924 0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.283 0.469 1.735 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.544 3.507 4.595 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.159 1.068 4.007 1.00 0.00 H new ATOM 230 N CYS A 15 -12.864 1.930 -1.811 1.00 0.00 N ATOM 231 CA CYS A 15 -13.630 2.300 -2.993 1.00 0.00 C ATOM 232 C CYS A 15 -15.122 2.319 -2.684 1.00 0.00 C ATOM 233 O CYS A 15 -15.867 3.150 -3.201 1.00 0.00 O ATOM 234 CB CYS A 15 -13.346 1.347 -4.122 1.00 0.00 C ATOM 235 SG CYS A 15 -14.136 1.776 -5.691 1.00 0.00 S ATOM 0 H CYS A 15 -12.413 1.017 -1.872 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.327 3.302 -3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -12.268 1.298 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -13.672 0.349 -3.828 1.00 0.00 H new ATOM 0 HG CYS A 15 -13.823 0.892 -6.591 1.00 0.00 H new ATOM 241 N CYS A 16 -15.547 1.399 -1.827 1.00 0.00 N ATOM 242 CA CYS A 16 -16.943 1.321 -1.420 1.00 0.00 C ATOM 243 C CYS A 16 -17.170 2.076 -0.112 1.00 0.00 C ATOM 244 O CYS A 16 -18.306 2.384 0.246 1.00 0.00 O ATOM 245 CB CYS A 16 -17.377 -0.143 -1.254 1.00 0.00 C ATOM 246 SG CYS A 16 -17.464 -1.086 -2.796 1.00 0.00 S ATOM 0 H CYS A 16 -14.944 0.696 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.545 1.784 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.680 -0.640 -0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.356 -0.165 -0.775 1.00 0.00 H new ATOM 0 HG CYS A 16 -18.700 -1.159 -3.191 1.00 0.00 H new ATOM 251 N SER A 17 -16.061 2.380 0.574 1.00 0.00 N ATOM 252 CA SER A 17 -16.057 2.986 1.914 1.00 0.00 C ATOM 253 C SER A 17 -16.946 2.207 2.887 1.00 0.00 C ATOM 254 O SER A 17 -17.487 2.763 3.845 1.00 0.00 O ATOM 255 CB SER A 17 -16.434 4.478 1.875 1.00 0.00 C ATOM 256 OG SER A 17 -17.651 4.712 1.185 1.00 0.00 O ATOM 0 H SER A 17 -15.124 2.209 0.208 1.00 0.00 H new ATOM 0 HA SER A 17 -15.034 2.926 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.520 4.855 2.894 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.633 5.040 1.394 1.00 0.00 H new ATOM 0 HG SER A 17 -18.160 3.877 1.128 1.00 0.00 H new ATOM 262 N VAL A 18 -17.051 0.906 2.642 1.00 0.00 N ATOM 263 CA VAL A 18 -17.865 0.004 3.451 1.00 0.00 C ATOM 264 C VAL A 18 -17.103 -1.307 3.643 1.00 0.00 C ATOM 265 O VAL A 18 -16.334 -1.713 2.763 1.00 0.00 O ATOM 266 CB VAL A 18 -19.226 -0.288 2.768 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.064 -1.259 3.584 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.008 0.995 2.525 1.00 0.00 C ATOM 0 H VAL A 18 -16.570 0.443 1.871 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.062 0.478 4.413 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.006 -0.750 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.010 -1.440 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.526 -2.200 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.258 -0.834 4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.957 0.757 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.197 1.492 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.431 1.656 1.879 1.00 0.00 H new ATOM 278 N GLU A 19 -17.290 -1.949 4.793 1.00 0.00 N ATOM 279 CA GLU A 19 -16.605 -3.197 5.090 1.00 0.00 C ATOM 280 C GLU A 19 -17.091 -4.319 4.181 1.00 0.00 C ATOM 281 O GLU A 19 -18.247 -4.338 3.753 1.00 0.00 O ATOM 282 CB GLU A 19 -16.786 -3.593 6.542 1.00 0.00 C ATOM 283 CG GLU A 19 -15.923 -4.750 6.937 1.00 0.00 C ATOM 284 CD GLU A 19 -15.875 -4.993 8.432 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.525 -4.060 9.188 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.196 -6.120 8.861 1.00 0.00 O ATOM 0 H GLU A 19 -17.911 -1.623 5.533 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.543 -3.034 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.555 -2.739 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.831 -3.848 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.289 -5.650 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.910 -4.577 6.573 1.00 0.00 H new ATOM 293 N ILE A 20 -16.196 -5.251 3.892 1.00 0.00 N ATOM 294 CA ILE A 20 -16.477 -6.335 2.966 1.00 0.00 C ATOM 295 C ILE A 20 -15.911 -7.660 3.489 1.00 0.00 C ATOM 296 O ILE A 20 -15.104 -7.675 4.423 1.00 0.00 O ATOM 297 CB ILE A 20 -15.841 -6.080 1.598 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.375 -6.289 1.752 1.00 0.00 C ATOM 299 CG2 ILE A 20 -16.096 -4.666 1.124 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.695 -6.839 0.545 1.00 0.00 C ATOM 0 H ILE A 20 -15.258 -5.277 4.292 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.562 -6.388 2.872 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.273 -6.756 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.911 -5.337 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.204 -6.966 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.630 -4.519 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.170 -4.498 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.672 -3.961 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.631 -6.958 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -14.127 -7.808 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.829 -6.154 -0.292 1.00 0.00 H new ATOM 312 N VAL A 21 -16.322 -8.761 2.870 1.00 0.00 N ATOM 313 CA VAL A 21 -15.644 -10.035 3.027 1.00 0.00 C ATOM 314 C VAL A 21 -15.221 -10.517 1.651 1.00 0.00 C ATOM 315 O VAL A 21 -16.003 -11.084 0.889 1.00 0.00 O ATOM 316 CB VAL A 21 -16.509 -11.112 3.712 1.00 0.00 C ATOM 317 CG1 VAL A 21 -15.672 -12.338 4.042 1.00 0.00 C ATOM 318 CG2 VAL A 21 -17.169 -10.562 4.962 1.00 0.00 C ATOM 0 H VAL A 21 -17.131 -8.792 2.249 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.786 -9.877 3.680 1.00 0.00 H new ATOM 0 HB VAL A 21 -17.295 -11.408 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.299 -13.087 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -15.254 -12.751 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.862 -12.055 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -17.774 -11.341 5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -16.402 -10.231 5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -17.806 -9.718 4.696 1.00 0.00 H new ATOM 328 N PRO A 22 -13.968 -10.222 1.338 1.00 0.00 N ATOM 329 CA PRO A 22 -13.383 -10.331 0.007 1.00 0.00 C ATOM 330 C PRO A 22 -13.406 -11.694 -0.668 1.00 0.00 C ATOM 331 O PRO A 22 -13.786 -12.721 -0.105 1.00 0.00 O ATOM 332 CB PRO A 22 -11.934 -9.934 0.222 1.00 0.00 C ATOM 333 CG PRO A 22 -11.711 -9.915 1.672 1.00 0.00 C ATOM 334 CD PRO A 22 -13.013 -9.671 2.291 1.00 0.00 C ATOM 0 HA PRO A 22 -13.977 -9.714 -0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.263 -10.643 -0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.733 -8.955 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -11.292 -10.862 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.000 -9.135 1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.091 -10.160 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.183 -8.607 2.456 1.00 0.00 H new ATOM 342 N ARG A 23 -12.914 -11.642 -1.896 1.00 0.00 N ATOM 343 CA ARG A 23 -12.761 -12.759 -2.775 1.00 0.00 C ATOM 344 C ARG A 23 -11.262 -12.985 -2.946 1.00 0.00 C ATOM 345 O ARG A 23 -10.711 -12.948 -4.048 1.00 0.00 O ATOM 346 CB ARG A 23 -13.453 -12.450 -4.095 1.00 0.00 C ATOM 347 CG ARG A 23 -14.938 -12.721 -4.124 1.00 0.00 C ATOM 348 CD ARG A 23 -15.636 -11.788 -5.101 1.00 0.00 C ATOM 349 NE ARG A 23 -17.089 -11.787 -4.939 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.906 -10.925 -5.542 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.415 -9.984 -6.342 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.216 -10.998 -5.340 1.00 0.00 N ATOM 0 H ARG A 23 -12.598 -10.767 -2.315 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.218 -13.666 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.287 -11.400 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.978 -13.036 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.118 -13.757 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.356 -12.590 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.258 -10.775 -4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.388 -12.084 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.503 -12.490 -4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.409 -9.920 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.044 -9.326 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.598 -11.715 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.841 -10.337 -5.802 1.00 0.00 H new ATOM 366 N LEU A 24 -10.640 -13.061 -1.775 1.00 0.00 N ATOM 367 CA LEU A 24 -9.232 -13.428 -1.520 1.00 0.00 C ATOM 368 C LEU A 24 -8.435 -13.930 -2.738 1.00 0.00 C ATOM 369 O LEU A 24 -7.348 -13.408 -2.974 1.00 0.00 O ATOM 370 CB LEU A 24 -9.183 -14.470 -0.385 1.00 0.00 C ATOM 371 CG LEU A 24 -7.998 -14.393 0.595 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.665 -14.603 -0.106 1.00 0.00 C ATOM 373 CD2 LEU A 24 -8.008 -13.071 1.345 1.00 0.00 C ATOM 0 H LEU A 24 -11.135 -12.854 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.735 -12.500 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.104 -14.384 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.182 -15.462 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.117 -15.204 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.857 -14.541 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.653 -15.585 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.528 -13.834 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.163 -13.036 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.931 -12.249 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.937 -12.979 1.907 1.00 0.00 H new ATOM 385 N PRO A 25 -8.910 -14.964 -3.492 1.00 0.00 N ATOM 386 CA PRO A 25 -8.270 -15.420 -4.737 1.00 0.00 C ATOM 387 C PRO A 25 -7.562 -14.310 -5.523 1.00 0.00 C ATOM 388 O PRO A 25 -6.478 -14.511 -6.071 1.00 0.00 O ATOM 389 CB PRO A 25 -9.461 -15.942 -5.516 1.00 0.00 C ATOM 390 CG PRO A 25 -10.354 -16.541 -4.478 1.00 0.00 C ATOM 391 CD PRO A 25 -10.088 -15.808 -3.194 1.00 0.00 C ATOM 0 HA PRO A 25 -7.476 -16.142 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.964 -15.140 -6.057 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.158 -16.684 -6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.400 -16.445 -4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.152 -17.606 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.945 -15.204 -2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.885 -16.499 -2.376 1.00 0.00 H new ATOM 399 N ASP A 26 -8.176 -13.137 -5.556 1.00 0.00 N ATOM 400 CA ASP A 26 -7.630 -11.992 -6.276 1.00 0.00 C ATOM 401 C ASP A 26 -7.375 -10.828 -5.346 1.00 0.00 C ATOM 402 O ASP A 26 -6.658 -9.885 -5.683 1.00 0.00 O ATOM 403 CB ASP A 26 -8.643 -11.547 -7.291 1.00 0.00 C ATOM 404 CG ASP A 26 -8.119 -11.571 -8.711 1.00 0.00 C ATOM 405 OD1 ASP A 26 -7.515 -10.565 -9.140 1.00 0.00 O ATOM 406 OD2 ASP A 26 -8.314 -12.587 -9.410 1.00 0.00 O ATOM 0 H ASP A 26 -9.063 -12.950 -5.088 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.690 -12.293 -6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.521 -12.190 -7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.970 -10.536 -7.049 1.00 0.00 H new ATOM 411 N TYR A 27 -7.992 -10.924 -4.184 1.00 0.00 N ATOM 412 CA TYR A 27 -8.068 -9.834 -3.214 1.00 0.00 C ATOM 413 C TYR A 27 -8.984 -8.758 -3.730 1.00 0.00 C ATOM 414 O TYR A 27 -8.646 -7.580 -3.781 1.00 0.00 O ATOM 415 CB TYR A 27 -6.705 -9.258 -2.871 1.00 0.00 C ATOM 416 CG TYR A 27 -5.902 -10.180 -2.011 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.173 -10.295 -0.664 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.881 -10.931 -2.548 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.439 -11.137 0.138 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.135 -11.780 -1.759 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.413 -11.876 -0.412 1.00 0.00 C ATOM 422 OH TYR A 27 -3.675 -12.724 0.385 1.00 0.00 O ATOM 0 H TYR A 27 -8.465 -11.774 -3.877 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.471 -10.247 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.157 -9.053 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.834 -8.305 -2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.975 -9.714 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.661 -10.854 -3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.664 -11.219 1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.338 -12.366 -2.193 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.992 -13.171 -0.157 1.00 0.00 H new ATOM 432 N ILE A 28 -10.157 -9.201 -4.097 1.00 0.00 N ATOM 433 CA ILE A 28 -11.187 -8.339 -4.625 1.00 0.00 C ATOM 434 C ILE A 28 -12.273 -8.136 -3.597 1.00 0.00 C ATOM 435 O ILE A 28 -12.406 -8.907 -2.648 1.00 0.00 O ATOM 436 CB ILE A 28 -11.806 -8.930 -5.898 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.524 -10.420 -5.904 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.232 -8.255 -7.129 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.332 -11.226 -6.879 1.00 0.00 C ATOM 0 H ILE A 28 -10.430 -10.182 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.725 -7.383 -4.870 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.883 -8.761 -5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.467 -10.571 -6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.702 -10.810 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.682 -8.686 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.448 -7.187 -7.093 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.153 -8.406 -7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.053 -12.277 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.392 -11.115 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.138 -10.873 -7.892 1.00 0.00 H new ATOM 451 N CYS A 29 -13.051 -7.113 -3.817 1.00 0.00 N ATOM 452 CA CYS A 29 -14.130 -6.753 -2.938 1.00 0.00 C ATOM 453 C CYS A 29 -15.421 -7.312 -3.521 1.00 0.00 C ATOM 454 O CYS A 29 -15.543 -7.465 -4.724 1.00 0.00 O ATOM 455 CB CYS A 29 -14.128 -5.223 -2.830 1.00 0.00 C ATOM 456 SG CYS A 29 -15.682 -4.423 -2.374 1.00 0.00 S ATOM 0 H CYS A 29 -12.952 -6.496 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.026 -7.166 -1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.374 -4.938 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.809 -4.817 -3.790 1.00 0.00 H new ATOM 0 HG CYS A 29 -15.451 -3.191 -2.029 1.00 0.00 H new ATOM 461 N PRO A 30 -16.383 -7.663 -2.677 1.00 0.00 N ATOM 462 CA PRO A 30 -17.633 -8.267 -3.105 1.00 0.00 C ATOM 463 C PRO A 30 -18.577 -7.174 -3.515 1.00 0.00 C ATOM 464 O PRO A 30 -19.569 -7.386 -4.208 1.00 0.00 O ATOM 465 CB PRO A 30 -18.121 -8.947 -1.829 1.00 0.00 C ATOM 466 CG PRO A 30 -17.661 -8.028 -0.748 1.00 0.00 C ATOM 467 CD PRO A 30 -16.360 -7.443 -1.234 1.00 0.00 C ATOM 0 HA PRO A 30 -17.546 -8.953 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -19.205 -9.062 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.695 -9.944 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.396 -7.245 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.522 -8.566 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.287 -6.382 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.505 -7.934 -0.770 1.00 0.00 H new ATOM 475 N ARG A 31 -18.237 -5.993 -3.040 1.00 0.00 N ATOM 476 CA ARG A 31 -19.043 -4.824 -3.290 1.00 0.00 C ATOM 477 C ARG A 31 -18.685 -4.080 -4.575 1.00 0.00 C ATOM 478 O ARG A 31 -19.422 -3.196 -5.004 1.00 0.00 O ATOM 479 CB ARG A 31 -19.001 -3.928 -2.111 1.00 0.00 C ATOM 480 CG ARG A 31 -19.671 -4.615 -0.974 1.00 0.00 C ATOM 481 CD ARG A 31 -19.802 -3.743 0.260 1.00 0.00 C ATOM 482 NE ARG A 31 -20.589 -4.393 1.306 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.718 -3.894 1.810 1.00 0.00 C ATOM 484 NH1 ARG A 31 -22.225 -2.758 1.340 1.00 0.00 N ATOM 485 NH2 ARG A 31 -22.347 -4.542 2.781 1.00 0.00 N ATOM 0 H ARG A 31 -17.404 -5.821 -2.477 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.063 -5.173 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.969 -3.688 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.502 -2.986 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.663 -4.940 -1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.108 -5.513 -0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.810 -3.508 0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.271 -2.797 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 31 -20.254 -5.284 1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.750 -2.260 0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -23.089 -2.384 1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -21.967 -5.418 3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -23.211 -4.164 3.170 1.00 0.00 H new ATOM 499 N CYS A 32 -17.553 -4.419 -5.184 1.00 0.00 N ATOM 500 CA CYS A 32 -17.189 -3.811 -6.467 1.00 0.00 C ATOM 501 C CYS A 32 -16.218 -4.670 -7.278 1.00 0.00 C ATOM 502 O CYS A 32 -15.992 -4.398 -8.457 1.00 0.00 O ATOM 503 CB CYS A 32 -16.605 -2.403 -6.275 1.00 0.00 C ATOM 504 SG CYS A 32 -15.048 -2.348 -5.359 1.00 0.00 S ATOM 0 H CYS A 32 -16.882 -5.097 -4.822 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.116 -3.738 -7.035 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -16.450 -1.952 -7.255 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.339 -1.788 -5.754 1.00 0.00 H new ATOM 0 HG CYS A 32 -15.158 -3.054 -4.273 1.00 0.00 H new ATOM 509 N GLU A 33 -15.646 -5.711 -6.652 1.00 0.00 N ATOM 510 CA GLU A 33 -14.683 -6.593 -7.326 1.00 0.00 C ATOM 511 C GLU A 33 -13.449 -5.816 -7.783 1.00 0.00 C ATOM 512 O GLU A 33 -12.806 -6.155 -8.774 1.00 0.00 O ATOM 513 CB GLU A 33 -15.345 -7.318 -8.496 1.00 0.00 C ATOM 514 CG GLU A 33 -14.614 -8.577 -8.908 1.00 0.00 C ATOM 515 CD GLU A 33 -15.108 -9.122 -10.228 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.793 -8.524 -11.278 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.830 -10.139 -10.222 1.00 0.00 O ATOM 0 H GLU A 33 -15.834 -5.961 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.350 -7.343 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.369 -7.573 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.400 -6.642 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.547 -8.367 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.738 -9.336 -8.135 1.00 0.00 H new ATOM 524 N SER A 34 -13.130 -4.764 -7.053 1.00 0.00 N ATOM 525 CA SER A 34 -11.866 -4.081 -7.216 1.00 0.00 C ATOM 526 C SER A 34 -10.972 -4.398 -6.023 1.00 0.00 C ATOM 527 O SER A 34 -11.462 -4.513 -4.895 1.00 0.00 O ATOM 528 CB SER A 34 -12.079 -2.598 -7.346 1.00 0.00 C ATOM 529 OG SER A 34 -13.076 -2.299 -8.310 1.00 0.00 O ATOM 0 H SER A 34 -13.736 -4.363 -6.337 1.00 0.00 H new ATOM 0 HA SER A 34 -11.381 -4.426 -8.129 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.370 -2.185 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.142 -2.118 -7.629 1.00 0.00 H new ATOM 0 HG SER A 34 -13.942 -2.194 -7.863 1.00 0.00 H new ATOM 535 N GLY A 35 -9.674 -4.550 -6.265 1.00 0.00 N ATOM 536 CA GLY A 35 -8.754 -4.959 -5.215 1.00 0.00 C ATOM 537 C GLY A 35 -8.349 -3.827 -4.291 1.00 0.00 C ATOM 538 O GLY A 35 -7.201 -3.757 -3.848 1.00 0.00 O ATOM 0 H GLY A 35 -9.239 -4.397 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.217 -5.751 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.859 -5.383 -5.671 1.00 0.00 H new ATOM 542 N PHE A 36 -9.293 -2.950 -3.982 1.00 0.00 N ATOM 543 CA PHE A 36 -9.037 -1.815 -3.108 1.00 0.00 C ATOM 544 C PHE A 36 -9.384 -2.148 -1.663 1.00 0.00 C ATOM 545 O PHE A 36 -9.930 -1.312 -0.936 1.00 0.00 O ATOM 546 CB PHE A 36 -9.845 -0.599 -3.556 1.00 0.00 C ATOM 547 CG PHE A 36 -9.268 0.118 -4.739 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.276 1.065 -4.561 1.00 0.00 C ATOM 549 CD2 PHE A 36 -9.723 -0.140 -6.020 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.746 1.744 -5.635 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.198 0.539 -7.103 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.208 1.481 -6.909 1.00 0.00 C ATOM 0 H PHE A 36 -10.251 -3.004 -4.327 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.974 -1.584 -3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.859 -0.919 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.921 0.100 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.912 1.275 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.495 -0.879 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.971 2.480 -5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.561 0.333 -8.099 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.795 2.012 -7.754 1.00 0.00 H new ATOM 562 N ILE A 37 -9.057 -3.361 -1.249 1.00 0.00 N ATOM 563 CA ILE A 37 -9.352 -3.814 0.100 1.00 0.00 C ATOM 564 C ILE A 37 -8.095 -3.954 0.924 1.00 0.00 C ATOM 565 O ILE A 37 -7.068 -4.414 0.430 1.00 0.00 O ATOM 566 CB ILE A 37 -10.026 -5.173 0.126 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.348 -6.181 -0.785 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.456 -5.030 -0.235 1.00 0.00 C ATOM 569 CD1 ILE A 37 -10.074 -7.503 -0.812 1.00 0.00 C ATOM 0 H ILE A 37 -8.585 -4.053 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.017 -3.054 0.510 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.938 -5.560 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.295 -5.777 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.323 -6.338 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.936 -6.008 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.947 -4.370 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.538 -4.606 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.552 -8.191 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.104 -7.922 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.092 -7.352 -1.172 1.00 0.00 H new ATOM 581 N GLU A 38 -8.191 -3.585 2.178 1.00 0.00 N ATOM 582 CA GLU A 38 -7.141 -3.864 3.126 1.00 0.00 C ATOM 583 C GLU A 38 -7.713 -4.779 4.200 1.00 0.00 C ATOM 584 O GLU A 38 -8.901 -4.692 4.523 1.00 0.00 O ATOM 585 CB GLU A 38 -6.595 -2.562 3.734 1.00 0.00 C ATOM 586 CG GLU A 38 -7.572 -1.845 4.647 1.00 0.00 C ATOM 587 CD GLU A 38 -6.945 -0.685 5.394 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.372 -0.913 6.480 1.00 0.00 O ATOM 589 OE2 GLU A 38 -7.039 0.461 4.909 1.00 0.00 O ATOM 0 H GLU A 38 -8.992 -3.087 2.567 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.304 -4.355 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.689 -2.789 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.309 -1.889 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.411 -1.478 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.977 -2.557 5.367 1.00 0.00 H new ATOM 596 N GLU A 39 -6.900 -5.699 4.693 1.00 0.00 N ATOM 597 CA GLU A 39 -7.332 -6.596 5.751 1.00 0.00 C ATOM 598 C GLU A 39 -7.256 -5.874 7.086 1.00 0.00 C ATOM 599 O GLU A 39 -6.228 -5.283 7.421 1.00 0.00 O ATOM 600 CB GLU A 39 -6.449 -7.849 5.784 1.00 0.00 C ATOM 601 CG GLU A 39 -6.645 -8.705 7.010 1.00 0.00 C ATOM 602 CD GLU A 39 -5.487 -9.649 7.262 1.00 0.00 C ATOM 603 OE1 GLU A 39 -4.345 -9.166 7.406 1.00 0.00 O ATOM 604 OE2 GLU A 39 -5.711 -10.875 7.341 1.00 0.00 O ATOM 0 H GLU A 39 -5.941 -5.844 4.379 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.360 -6.903 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.654 -8.449 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.403 -7.546 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.778 -8.061 7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.562 -9.284 6.900 1.00 0.00 H new ATOM 611 N LEU A 40 -8.339 -5.928 7.840 1.00 0.00 N ATOM 612 CA LEU A 40 -8.424 -5.223 9.108 1.00 0.00 C ATOM 613 C LEU A 40 -7.808 -6.070 10.215 1.00 0.00 C ATOM 614 O LEU A 40 -8.443 -7.059 10.637 1.00 0.00 O ATOM 615 CB LEU A 40 -9.890 -4.895 9.433 1.00 0.00 C ATOM 616 CG LEU A 40 -10.554 -3.754 8.630 1.00 0.00 C ATOM 617 CD1 LEU A 40 -9.894 -3.530 7.278 1.00 0.00 C ATOM 618 CD2 LEU A 40 -12.024 -4.058 8.424 1.00 0.00 C ATOM 619 OXT LEU A 40 -6.684 -5.755 10.653 1.00 0.00 O ATOM 0 H LEU A 40 -9.177 -6.456 7.595 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.869 -4.288 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.479 -5.800 9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.953 -4.644 10.492 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.431 -2.841 9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.400 -2.718 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.845 -3.270 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.963 -4.441 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.487 -3.250 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.129 -4.993 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.516 -4.150 9.392 1.00 0.00 H new ATOM 855 N MET C 16 16.125 -2.069 -5.978 1.00 0.00 N ATOM 856 CA MET C 16 15.499 -1.326 -7.069 1.00 0.00 C ATOM 857 C MET C 16 14.184 -1.986 -7.496 1.00 0.00 C ATOM 858 O MET C 16 14.162 -2.841 -8.386 1.00 0.00 O ATOM 859 CB MET C 16 16.457 -1.194 -8.264 1.00 0.00 C ATOM 860 CG MET C 16 15.981 -0.217 -9.331 1.00 0.00 C ATOM 861 SD MET C 16 15.916 1.491 -8.744 1.00 0.00 S ATOM 862 CE MET C 16 17.637 1.780 -8.337 1.00 0.00 C ATOM 0 HA MET C 16 15.272 -0.324 -6.706 1.00 0.00 H new ATOM 0 HB2 MET C 16 17.433 -0.873 -7.901 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.593 -2.175 -8.718 1.00 0.00 H new ATOM 0 HG2 MET C 16 16.647 -0.275 -10.192 1.00 0.00 H new ATOM 0 HG3 MET C 16 14.990 -0.516 -9.674 1.00 0.00 H new ATOM 0 HE1 MET C 16 17.824 2.853 -8.287 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.864 1.327 -7.372 1.00 0.00 H new ATOM 0 HE3 MET C 16 18.272 1.336 -9.104 1.00 0.00 H new ATOM 872 N LEU C 17 13.085 -1.582 -6.861 1.00 0.00 N ATOM 873 CA LEU C 17 11.777 -2.100 -7.217 1.00 0.00 C ATOM 874 C LEU C 17 11.171 -1.193 -8.250 1.00 0.00 C ATOM 875 O LEU C 17 11.371 0.023 -8.224 1.00 0.00 O ATOM 876 CB LEU C 17 10.788 -2.162 -6.066 1.00 0.00 C ATOM 877 CG LEU C 17 11.048 -3.107 -4.877 1.00 0.00 C ATOM 878 CD1 LEU C 17 12.346 -3.867 -4.994 1.00 0.00 C ATOM 879 CD2 LEU C 17 10.954 -2.351 -3.577 1.00 0.00 C ATOM 0 H LEU C 17 13.080 -0.901 -6.102 1.00 0.00 H new ATOM 0 HA LEU C 17 11.947 -3.118 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.695 -1.153 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU C 17 9.818 -2.429 -6.486 1.00 0.00 H new ATOM 0 HG LEU C 17 10.266 -3.866 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU C 17 12.468 -4.514 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU C 17 12.332 -4.474 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU C 17 13.177 -3.163 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU C 17 11.140 -3.032 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.696 -1.553 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU C 17 9.957 -1.921 -3.478 1.00 0.00 H new ATOM 891 N GLU C 18 10.418 -1.770 -9.130 1.00 0.00 N ATOM 892 CA GLU C 18 9.604 -1.014 -10.016 1.00 0.00 C ATOM 893 C GLU C 18 8.249 -0.934 -9.398 1.00 0.00 C ATOM 894 O GLU C 18 7.418 -1.822 -9.564 1.00 0.00 O ATOM 895 CB GLU C 18 9.564 -1.677 -11.365 1.00 0.00 C ATOM 896 CG GLU C 18 10.627 -1.195 -12.336 1.00 0.00 C ATOM 897 CD GLU C 18 10.546 -1.895 -13.676 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.821 -3.111 -13.735 1.00 0.00 O ATOM 899 OE2 GLU C 18 10.189 -1.237 -14.675 1.00 0.00 O ATOM 0 H GLU C 18 10.352 -2.781 -9.252 1.00 0.00 H new ATOM 0 HA GLU C 18 10.000 -0.010 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU C 18 9.674 -2.753 -11.230 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.582 -1.510 -11.809 1.00 0.00 H new ATOM 0 HG2 GLU C 18 10.520 -0.120 -12.484 1.00 0.00 H new ATOM 0 HG3 GLU C 18 11.613 -1.360 -11.902 1.00 0.00 H new ATOM 906 N VAL C 19 8.050 0.107 -8.632 1.00 0.00 N ATOM 907 CA VAL C 19 6.882 0.209 -7.835 1.00 0.00 C ATOM 908 C VAL C 19 5.733 0.633 -8.697 1.00 0.00 C ATOM 909 O VAL C 19 5.655 1.762 -9.130 1.00 0.00 O ATOM 910 CB VAL C 19 7.107 1.217 -6.715 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.786 1.749 -6.189 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.870 0.589 -5.583 1.00 0.00 C ATOM 0 H VAL C 19 8.693 0.894 -8.552 1.00 0.00 H new ATOM 0 HA VAL C 19 6.655 -0.759 -7.388 1.00 0.00 H new ATOM 0 HB VAL C 19 7.685 2.043 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.975 2.466 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.244 2.240 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.190 0.923 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.021 1.325 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.306 -0.256 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.838 0.242 -5.945 1.00 0.00 H new ATOM 922 N LEU C 20 4.871 -0.274 -8.999 1.00 0.00 N ATOM 923 CA LEU C 20 3.711 0.090 -9.744 1.00 0.00 C ATOM 924 C LEU C 20 2.602 0.313 -8.732 1.00 0.00 C ATOM 925 O LEU C 20 2.569 -0.357 -7.710 1.00 0.00 O ATOM 926 CB LEU C 20 3.362 -0.995 -10.763 1.00 0.00 C ATOM 927 CG LEU C 20 4.496 -1.926 -11.208 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.937 -3.019 -12.096 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.594 -1.177 -11.941 1.00 0.00 C ATOM 0 H LEU C 20 4.942 -1.260 -8.748 1.00 0.00 H new ATOM 0 HA LEU C 20 3.872 0.998 -10.324 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.565 -1.609 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.956 -0.508 -11.650 1.00 0.00 H new ATOM 0 HG LEU C 20 4.939 -2.362 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.744 -3.680 -12.412 1.00 0.00 H new ATOM 0 HD12 LEU C 20 3.194 -3.593 -11.543 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.470 -2.572 -12.974 1.00 0.00 H new ATOM 0 HD21 LEU C 20 6.376 -1.876 -12.237 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.179 -0.699 -12.828 1.00 0.00 H new ATOM 0 HD23 LEU C 20 6.017 -0.417 -11.284 1.00 0.00 H new ATOM 941 N VAL C 21 1.752 1.293 -8.963 1.00 0.00 N ATOM 942 CA VAL C 21 0.733 1.674 -7.981 1.00 0.00 C ATOM 943 C VAL C 21 -0.529 2.189 -8.684 1.00 0.00 C ATOM 944 O VAL C 21 -0.470 3.119 -9.486 1.00 0.00 O ATOM 945 CB VAL C 21 1.307 2.777 -7.047 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.247 3.392 -6.169 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.417 2.234 -6.174 1.00 0.00 C ATOM 0 H VAL C 21 1.739 1.846 -9.820 1.00 0.00 H new ATOM 0 HA VAL C 21 0.463 0.798 -7.392 1.00 0.00 H new ATOM 0 HB VAL C 21 1.704 3.552 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL C 21 0.698 4.156 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.524 3.845 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL C 21 -0.200 2.620 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL C 21 2.797 3.029 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.031 1.423 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.224 1.858 -6.803 1.00 0.00 H new ATOM 957 N LYS C 22 -1.666 1.582 -8.379 1.00 0.00 N ATOM 958 CA LYS C 22 -2.930 1.990 -8.952 1.00 0.00 C ATOM 959 C LYS C 22 -3.724 2.746 -7.903 1.00 0.00 C ATOM 960 O LYS C 22 -3.707 2.401 -6.722 1.00 0.00 O ATOM 961 CB LYS C 22 -3.762 0.787 -9.430 1.00 0.00 C ATOM 962 CG LYS C 22 -3.081 -0.152 -10.429 1.00 0.00 C ATOM 963 CD LYS C 22 -4.087 -1.138 -11.037 1.00 0.00 C ATOM 964 CE LYS C 22 -5.198 -0.407 -11.780 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.089 -1.338 -12.526 1.00 0.00 N ATOM 0 H LYS C 22 -1.734 0.798 -7.731 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.718 2.619 -9.816 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.054 0.204 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.679 1.163 -9.884 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.615 0.433 -11.223 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.284 -0.703 -9.929 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.571 -1.812 -11.721 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.518 -1.754 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -5.791 0.167 -11.068 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -4.757 0.306 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.828 -0.794 -13.015 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.530 -1.868 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.532 -2.003 -11.860 1.00 0.00 H new ATOM 979 N THR C 23 -4.397 3.775 -8.341 1.00 0.00 N ATOM 980 CA THR C 23 -5.266 4.557 -7.489 1.00 0.00 C ATOM 981 C THR C 23 -6.710 4.353 -7.912 1.00 0.00 C ATOM 982 O THR C 23 -6.977 3.622 -8.871 1.00 0.00 O ATOM 983 CB THR C 23 -4.911 6.048 -7.577 1.00 0.00 C ATOM 984 OG1 THR C 23 -4.895 6.457 -8.953 1.00 0.00 O ATOM 985 CG2 THR C 23 -3.555 6.313 -6.946 1.00 0.00 C ATOM 0 H THR C 23 -4.361 4.101 -9.307 1.00 0.00 H new ATOM 0 HA THR C 23 -5.133 4.227 -6.459 1.00 0.00 H new ATOM 0 HB THR C 23 -5.663 6.620 -7.034 1.00 0.00 H new ATOM 0 HG1 THR C 23 -4.670 7.409 -9.009 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.321 7.375 -7.018 1.00 0.00 H new ATOM 0 HG22 THR C 23 -3.578 6.017 -5.897 1.00 0.00 H new ATOM 0 HG23 THR C 23 -2.792 5.737 -7.469 1.00 0.00 H new ATOM 1052 N THR C 28 -2.615 4.119 -12.254 1.00 0.00 N ATOM 1053 CA THR C 28 -1.530 3.153 -12.318 1.00 0.00 C ATOM 1054 C THR C 28 -0.220 3.834 -12.725 1.00 0.00 C ATOM 1055 O THR C 28 0.054 4.009 -13.917 1.00 0.00 O ATOM 1056 CB THR C 28 -1.815 2.053 -13.328 1.00 0.00 C ATOM 1057 OG1 THR C 28 -3.063 1.418 -13.046 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.671 1.055 -13.319 1.00 0.00 C ATOM 0 HA THR C 28 -1.442 2.720 -11.322 1.00 0.00 H new ATOM 0 HB THR C 28 -1.892 2.488 -14.325 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.704 2.085 -12.723 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.872 0.265 -14.042 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.257 1.562 -13.584 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.575 0.620 -12.324 1.00 0.00 H new ATOM 1066 N ARG C 29 0.590 4.229 -11.762 1.00 0.00 N ATOM 1067 CA ARG C 29 1.862 4.831 -12.098 1.00 0.00 C ATOM 1068 C ARG C 29 2.993 4.133 -11.379 1.00 0.00 C ATOM 1069 O ARG C 29 2.785 3.502 -10.342 1.00 0.00 O ATOM 1070 CB ARG C 29 1.892 6.321 -11.769 1.00 0.00 C ATOM 1071 CG ARG C 29 0.823 7.138 -12.445 1.00 0.00 C ATOM 1072 CD ARG C 29 1.035 8.622 -12.197 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.051 9.431 -12.745 1.00 0.00 N ATOM 1074 CZ ARG C 29 -0.072 10.763 -12.736 1.00 0.00 C ATOM 1075 NH1 ARG C 29 0.971 11.452 -12.283 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.131 11.404 -13.212 1.00 0.00 N ATOM 0 H ARG C 29 0.396 4.146 -10.764 1.00 0.00 H new ATOM 0 HA ARG C 29 1.991 4.716 -13.174 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.795 6.443 -10.690 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.867 6.721 -12.048 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.832 6.940 -13.517 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.157 6.840 -12.074 1.00 0.00 H new ATOM 0 HD2 ARG C 29 1.115 8.802 -11.125 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.979 8.933 -12.644 1.00 0.00 H new ATOM 0 HE ARG C 29 -0.845 8.944 -13.162 1.00 0.00 H new ATOM 0 HH11 ARG C 29 1.796 10.961 -11.939 1.00 0.00 H new ATOM 0 HH12 ARG C 29 0.946 12.472 -12.280 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -1.922 10.877 -13.582 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -1.154 12.424 -13.208 1.00 0.00 H new ATOM 1090 N THR C 30 4.185 4.230 -11.942 1.00 0.00 N ATOM 1091 CA THR C 30 5.332 3.612 -11.397 1.00 0.00 C ATOM 1092 C THR C 30 6.134 4.559 -10.524 1.00 0.00 C ATOM 1093 O THR C 30 6.285 5.740 -10.831 1.00 0.00 O ATOM 1094 CB THR C 30 6.191 3.123 -12.534 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.299 4.127 -13.549 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.628 1.856 -13.116 1.00 0.00 C ATOM 0 H THR C 30 4.362 4.752 -12.800 1.00 0.00 H new ATOM 0 HA THR C 30 5.011 2.785 -10.763 1.00 0.00 H new ATOM 0 HB THR C 30 7.187 2.913 -12.143 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.861 3.795 -14.279 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.262 1.519 -13.936 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.592 1.086 -12.345 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.621 2.043 -13.490 1.00 0.00 H new ATOM 1104 N PHE C 31 6.657 4.009 -9.449 1.00 0.00 N ATOM 1105 CA PHE C 31 7.348 4.767 -8.430 1.00 0.00 C ATOM 1106 C PHE C 31 8.648 4.097 -8.075 1.00 0.00 C ATOM 1107 O PHE C 31 8.896 3.759 -6.921 1.00 0.00 O ATOM 1108 CB PHE C 31 6.479 4.863 -7.192 1.00 0.00 C ATOM 1109 CG PHE C 31 5.222 5.606 -7.426 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.277 6.795 -8.104 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.004 5.140 -6.962 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.136 7.524 -8.335 1.00 0.00 C ATOM 1113 CE2 PHE C 31 2.856 5.861 -7.191 1.00 0.00 C ATOM 1114 CZ PHE C 31 2.919 7.059 -7.880 1.00 0.00 C ATOM 0 H PHE C 31 6.613 3.008 -9.256 1.00 0.00 H new ATOM 0 HA PHE C 31 7.555 5.766 -8.814 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.241 3.858 -6.843 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.041 5.352 -6.397 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.228 7.163 -8.461 1.00 0.00 H new ATOM 0 HD2 PHE C 31 3.955 4.208 -6.419 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.191 8.460 -8.872 1.00 0.00 H new ATOM 0 HE2 PHE C 31 1.906 5.492 -6.833 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.019 7.628 -8.061 1.00 0.00 H new ATOM 1124 N ILE C 32 9.461 3.893 -9.080 1.00 0.00 N ATOM 1125 CA ILE C 32 10.679 3.141 -8.930 1.00 0.00 C ATOM 1126 C ILE C 32 11.610 3.673 -7.885 1.00 0.00 C ATOM 1127 O ILE C 32 12.064 4.818 -7.902 1.00 0.00 O ATOM 1128 CB ILE C 32 11.388 2.977 -10.253 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.514 2.163 -11.085 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.667 2.224 -10.089 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.785 2.887 -12.186 1.00 0.00 C ATOM 0 H ILE C 32 9.297 4.243 -10.024 1.00 0.00 H new ATOM 0 HA ILE C 32 10.367 2.161 -8.570 1.00 0.00 H new ATOM 0 HB ILE C 32 11.607 3.957 -10.678 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.110 1.368 -11.533 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.776 1.684 -10.442 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.156 2.121 -11.058 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.323 2.765 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.457 1.235 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.165 2.180 -12.738 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.153 3.664 -11.755 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.508 3.342 -12.863 1.00 0.00 H new ATOM 1143 N VAL C 33 11.845 2.774 -6.976 1.00 0.00 N ATOM 1144 CA VAL C 33 12.693 2.986 -5.819 1.00 0.00 C ATOM 1145 C VAL C 33 13.528 1.765 -5.520 1.00 0.00 C ATOM 1146 O VAL C 33 13.684 0.898 -6.358 1.00 0.00 O ATOM 1147 CB VAL C 33 11.841 3.300 -4.592 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.252 4.648 -4.774 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.748 2.259 -4.416 1.00 0.00 C ATOM 0 H VAL C 33 11.442 1.838 -7.012 1.00 0.00 H new ATOM 0 HA VAL C 33 13.352 3.824 -6.047 1.00 0.00 H new ATOM 0 HB VAL C 33 12.459 3.279 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.637 4.896 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.050 5.383 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.635 4.657 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.153 2.502 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.107 2.252 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.200 1.275 -4.288 1.00 0.00 H new ATOM 1159 N GLY C 34 14.062 1.715 -4.320 1.00 0.00 N ATOM 1160 CA GLY C 34 14.797 0.544 -3.888 1.00 0.00 C ATOM 1161 C GLY C 34 13.967 -0.354 -2.997 1.00 0.00 C ATOM 1162 O GLY C 34 12.942 0.070 -2.469 1.00 0.00 O ATOM 0 H GLY C 34 14.003 2.464 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.127 -0.018 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY C 34 15.693 0.857 -3.352 1.00 0.00 H new ATOM 1166 N ALA C 35 14.437 -1.577 -2.797 1.00 0.00 N ATOM 1167 CA ALA C 35 13.708 -2.590 -2.037 1.00 0.00 C ATOM 1168 C ALA C 35 13.622 -2.247 -0.563 1.00 0.00 C ATOM 1169 O ALA C 35 12.828 -2.804 0.179 1.00 0.00 O ATOM 1170 CB ALA C 35 14.389 -3.929 -2.164 1.00 0.00 C ATOM 0 H ALA C 35 15.336 -1.898 -3.157 1.00 0.00 H new ATOM 0 HA ALA C 35 12.701 -2.625 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA C 35 13.835 -4.674 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.419 -4.224 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.406 -3.858 -1.778 1.00 0.00 H new ATOM 1176 N GLN C 36 14.450 -1.332 -0.141 1.00 0.00 N ATOM 1177 CA GLN C 36 14.660 -1.108 1.267 1.00 0.00 C ATOM 1178 C GLN C 36 15.211 0.276 1.399 1.00 0.00 C ATOM 1179 O GLN C 36 15.899 0.646 2.348 1.00 0.00 O ATOM 1180 CB GLN C 36 15.600 -2.200 1.774 1.00 0.00 C ATOM 1181 CG GLN C 36 15.960 -2.166 3.230 1.00 0.00 C ATOM 1182 CD GLN C 36 16.747 -3.405 3.564 1.00 0.00 C ATOM 1183 OE1 GLN C 36 16.739 -3.886 4.696 1.00 0.00 O ATOM 1184 NE2 GLN C 36 17.408 -3.942 2.547 1.00 0.00 N ATOM 0 H GLN C 36 14.994 -0.725 -0.754 1.00 0.00 H new ATOM 0 HA GLN C 36 13.753 -1.168 1.869 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.143 -3.166 1.560 1.00 0.00 H new ATOM 0 HB3 GLN C 36 16.522 -2.149 1.196 1.00 0.00 H new ATOM 0 HG2 GLN C 36 16.547 -1.275 3.453 1.00 0.00 H new ATOM 0 HG3 GLN C 36 15.059 -2.115 3.841 1.00 0.00 H new ATOM 0 HE21 GLN C 36 17.379 -3.499 1.629 1.00 0.00 H new ATOM 0 HE22 GLN C 36 17.946 -4.798 2.683 1.00 0.00 H new ATOM 1193 N MET C 37 14.858 1.037 0.390 1.00 0.00 N ATOM 1194 CA MET C 37 15.314 2.371 0.232 1.00 0.00 C ATOM 1195 C MET C 37 14.529 3.323 1.123 1.00 0.00 C ATOM 1196 O MET C 37 15.036 3.795 2.134 1.00 0.00 O ATOM 1197 CB MET C 37 15.186 2.730 -1.218 1.00 0.00 C ATOM 1198 CG MET C 37 15.491 4.157 -1.496 1.00 0.00 C ATOM 1199 SD MET C 37 15.276 4.614 -3.231 1.00 0.00 S ATOM 1200 CE MET C 37 16.631 3.727 -3.994 1.00 0.00 C ATOM 0 H MET C 37 14.232 0.726 -0.353 1.00 0.00 H new ATOM 0 HA MET C 37 16.357 2.456 0.538 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.858 2.101 -1.802 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.172 2.510 -1.552 1.00 0.00 H new ATOM 0 HG2 MET C 37 14.847 4.785 -0.880 1.00 0.00 H new ATOM 0 HG3 MET C 37 16.518 4.366 -1.198 1.00 0.00 H new ATOM 0 HE1 MET C 37 17.315 4.437 -4.458 1.00 0.00 H new ATOM 0 HE2 MET C 37 17.163 3.153 -3.235 1.00 0.00 H new ATOM 0 HE3 MET C 37 16.241 3.050 -4.754 1.00 0.00 H new ATOM 1210 N ASN C 38 13.278 3.583 0.762 1.00 0.00 N ATOM 1211 CA ASN C 38 12.471 4.528 1.485 1.00 0.00 C ATOM 1212 C ASN C 38 11.162 3.914 1.939 1.00 0.00 C ATOM 1213 O ASN C 38 11.140 3.163 2.904 1.00 0.00 O ATOM 1214 CB ASN C 38 12.199 5.740 0.605 1.00 0.00 C ATOM 1215 CG ASN C 38 13.428 6.499 0.168 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.425 7.126 -0.887 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.482 6.448 0.942 1.00 0.00 N ATOM 0 H ASN C 38 12.809 3.145 -0.031 1.00 0.00 H new ATOM 0 HA ASN C 38 13.020 4.832 2.376 1.00 0.00 H new ATOM 0 HB2 ASN C 38 11.658 5.412 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.542 6.422 1.145 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.335 6.939 0.675 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.450 5.917 1.813 1.00 0.00 H new ATOM 1224 N VAL C 39 10.111 4.199 1.175 1.00 0.00 N ATOM 1225 CA VAL C 39 8.713 4.054 1.578 1.00 0.00 C ATOM 1226 C VAL C 39 8.228 5.268 2.354 1.00 0.00 C ATOM 1227 O VAL C 39 7.064 5.623 2.298 1.00 0.00 O ATOM 1228 CB VAL C 39 8.366 2.772 2.325 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.449 3.019 3.780 1.00 0.00 C ATOM 1230 CG2 VAL C 39 6.966 2.349 1.953 1.00 0.00 C ATOM 0 H VAL C 39 10.212 4.550 0.223 1.00 0.00 H new ATOM 0 HA VAL C 39 8.178 3.980 0.631 1.00 0.00 H new ATOM 0 HB VAL C 39 9.066 1.981 2.056 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.202 2.104 4.319 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.461 3.330 4.039 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.746 3.805 4.056 1.00 0.00 H new ATOM 0 HG21 VAL C 39 6.710 1.432 2.484 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.263 3.136 2.228 1.00 0.00 H new ATOM 0 HG23 VAL C 39 6.912 2.174 0.879 1.00 0.00 H new ATOM 1240 N LYS C 40 9.128 5.910 3.054 1.00 0.00 N ATOM 1241 CA LYS C 40 8.821 7.095 3.794 1.00 0.00 C ATOM 1242 C LYS C 40 8.909 8.287 2.876 1.00 0.00 C ATOM 1243 O LYS C 40 7.916 8.921 2.524 1.00 0.00 O ATOM 1244 CB LYS C 40 9.829 7.199 4.929 1.00 0.00 C ATOM 1245 CG LYS C 40 10.212 5.858 5.499 1.00 0.00 C ATOM 1246 CD LYS C 40 11.527 5.331 4.927 1.00 0.00 C ATOM 1247 CE LYS C 40 12.722 5.644 5.821 1.00 0.00 C ATOM 1248 NZ LYS C 40 13.018 7.095 5.892 1.00 0.00 N ATOM 0 H LYS C 40 10.103 5.617 3.123 1.00 0.00 H new ATOM 0 HA LYS C 40 7.812 7.062 4.204 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.725 7.703 4.567 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.412 7.820 5.722 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.298 5.939 6.583 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.418 5.140 5.295 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.453 4.252 4.790 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.691 5.767 3.942 1.00 0.00 H new ATOM 0 HE2 LYS C 40 12.528 5.267 6.825 1.00 0.00 H new ATOM 0 HE3 LYS C 40 13.599 5.116 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 14.021 7.233 6.129 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.816 7.536 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 12.425 7.535 6.625 1.00 0.00 H new ATOM 1262 N GLU C 41 10.126 8.544 2.480 1.00 0.00 N ATOM 1263 CA GLU C 41 10.448 9.511 1.474 1.00 0.00 C ATOM 1264 C GLU C 41 9.791 9.154 0.144 1.00 0.00 C ATOM 1265 O GLU C 41 9.449 10.022 -0.657 1.00 0.00 O ATOM 1266 CB GLU C 41 11.945 9.509 1.369 1.00 0.00 C ATOM 1267 CG GLU C 41 12.573 9.733 2.723 1.00 0.00 C ATOM 1268 CD GLU C 41 13.692 8.766 3.016 1.00 0.00 C ATOM 1269 OE1 GLU C 41 13.385 7.605 3.351 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.873 9.154 2.933 1.00 0.00 O ATOM 0 H GLU C 41 10.944 8.070 2.862 1.00 0.00 H new ATOM 0 HA GLU C 41 10.076 10.502 1.734 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.285 8.559 0.957 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.268 10.289 0.679 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.956 10.752 2.776 1.00 0.00 H new ATOM 0 HG3 GLU C 41 11.807 9.640 3.493 1.00 0.00 H new ATOM 1277 N PHE C 42 9.619 7.855 -0.064 1.00 0.00 N ATOM 1278 CA PHE C 42 8.911 7.323 -1.219 1.00 0.00 C ATOM 1279 C PHE C 42 7.494 7.871 -1.253 1.00 0.00 C ATOM 1280 O PHE C 42 7.049 8.416 -2.262 1.00 0.00 O ATOM 1281 CB PHE C 42 8.918 5.795 -1.124 1.00 0.00 C ATOM 1282 CG PHE C 42 7.819 5.083 -1.869 1.00 0.00 C ATOM 1283 CD1 PHE C 42 7.948 4.789 -3.210 1.00 0.00 C ATOM 1284 CD2 PHE C 42 6.660 4.696 -1.212 1.00 0.00 C ATOM 1285 CE1 PHE C 42 6.944 4.129 -3.888 1.00 0.00 C ATOM 1286 CE2 PHE C 42 5.652 4.036 -1.884 1.00 0.00 C ATOM 1287 CZ PHE C 42 5.794 3.751 -3.225 1.00 0.00 C ATOM 0 H PHE C 42 9.970 7.136 0.569 1.00 0.00 H new ATOM 0 HA PHE C 42 9.401 7.625 -2.144 1.00 0.00 H new ATOM 0 HB2 PHE C 42 9.876 5.432 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE C 42 8.857 5.516 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE C 42 8.846 5.079 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE C 42 6.545 4.914 -0.161 1.00 0.00 H new ATOM 0 HE1 PHE C 42 7.058 3.908 -4.939 1.00 0.00 H new ATOM 0 HE2 PHE C 42 4.754 3.743 -1.361 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.008 3.234 -3.755 1.00 0.00 H new ATOM 1297 N LYS C 43 6.806 7.746 -0.129 1.00 0.00 N ATOM 1298 CA LYS C 43 5.458 8.265 0.008 1.00 0.00 C ATOM 1299 C LYS C 43 5.430 9.773 -0.182 1.00 0.00 C ATOM 1300 O LYS C 43 4.596 10.304 -0.917 1.00 0.00 O ATOM 1301 CB LYS C 43 4.902 7.912 1.381 1.00 0.00 C ATOM 1302 CG LYS C 43 4.400 6.483 1.509 1.00 0.00 C ATOM 1303 CD LYS C 43 3.966 6.181 2.936 1.00 0.00 C ATOM 1304 CE LYS C 43 2.782 7.041 3.354 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.509 6.967 4.814 1.00 0.00 N ATOM 0 H LYS C 43 7.165 7.285 0.707 1.00 0.00 H new ATOM 0 HA LYS C 43 4.840 7.809 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.678 8.079 2.127 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.084 8.593 1.614 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.562 6.326 0.830 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.186 5.790 1.210 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.699 5.128 3.021 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.801 6.354 3.615 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.974 8.077 3.076 1.00 0.00 H new ATOM 0 HE3 LYS C 43 1.895 6.723 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 2.209 7.901 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 1.755 6.273 4.991 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 3.373 6.675 5.314 1.00 0.00 H new ATOM 1319 N GLU C 44 6.352 10.449 0.480 1.00 0.00 N ATOM 1320 CA GLU C 44 6.445 11.894 0.410 1.00 0.00 C ATOM 1321 C GLU C 44 6.600 12.361 -1.038 1.00 0.00 C ATOM 1322 O GLU C 44 6.062 13.396 -1.428 1.00 0.00 O ATOM 1323 CB GLU C 44 7.625 12.358 1.245 1.00 0.00 C ATOM 1324 CG GLU C 44 7.406 13.694 1.924 1.00 0.00 C ATOM 1325 CD GLU C 44 8.579 14.088 2.791 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.549 14.663 2.257 1.00 0.00 O ATOM 1327 OE2 GLU C 44 8.546 13.808 4.006 1.00 0.00 O ATOM 0 H GLU C 44 7.054 10.013 1.078 1.00 0.00 H new ATOM 0 HA GLU C 44 5.526 12.329 0.803 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.839 11.606 2.004 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.506 12.426 0.606 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.240 14.462 1.168 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.504 13.647 2.534 1.00 0.00 H new ATOM 1334 N HIS C 45 7.340 11.591 -1.825 1.00 0.00 N ATOM 1335 CA HIS C 45 7.564 11.896 -3.214 1.00 0.00 C ATOM 1336 C HIS C 45 6.308 11.702 -4.067 1.00 0.00 C ATOM 1337 O HIS C 45 5.999 12.541 -4.910 1.00 0.00 O ATOM 1338 CB HIS C 45 8.702 11.030 -3.732 1.00 0.00 C ATOM 1339 CG HIS C 45 10.061 11.569 -3.409 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.143 10.768 -3.116 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.513 12.843 -3.335 1.00 0.00 C ATOM 1342 CE1 HIS C 45 12.196 11.526 -2.873 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.841 12.789 -3.000 1.00 0.00 N ATOM 0 H HIS C 45 7.799 10.737 -1.508 1.00 0.00 H new ATOM 0 HA HIS C 45 7.829 12.950 -3.292 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.607 10.030 -3.310 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.608 10.930 -4.813 1.00 0.00 H new ATOM 0 HD2 HIS C 45 9.933 13.738 -3.508 1.00 0.00 H new ATOM 0 HE1 HIS C 45 13.182 11.171 -2.614 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.454 13.594 -2.870 1.00 0.00 H new ATOM 1352 N ILE C 46 5.582 10.601 -3.849 1.00 0.00 N ATOM 1353 CA ILE C 46 4.430 10.275 -4.674 1.00 0.00 C ATOM 1354 C ILE C 46 3.205 11.113 -4.290 1.00 0.00 C ATOM 1355 O ILE C 46 2.192 11.085 -4.986 1.00 0.00 O ATOM 1356 CB ILE C 46 4.070 8.777 -4.568 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.471 8.460 -3.202 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.292 7.906 -4.811 1.00 0.00 C ATOM 1359 CD1 ILE C 46 2.981 7.036 -3.057 1.00 0.00 C ATOM 0 H ILE C 46 5.776 9.927 -3.109 1.00 0.00 H new ATOM 0 HA ILE C 46 4.708 10.506 -5.702 1.00 0.00 H new ATOM 0 HB ILE C 46 3.328 8.559 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.220 8.655 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.640 9.140 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.012 6.856 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.686 8.101 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.056 8.136 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.570 6.893 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.207 6.840 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.812 6.348 -3.209 1.00 0.00 H new ATOM 1371 N ALA C 47 3.319 11.856 -3.182 1.00 0.00 N ATOM 1372 CA ALA C 47 2.235 12.690 -2.659 1.00 0.00 C ATOM 1373 C ALA C 47 1.441 13.424 -3.741 1.00 0.00 C ATOM 1374 O ALA C 47 0.223 13.266 -3.829 1.00 0.00 O ATOM 1375 CB ALA C 47 2.797 13.694 -1.664 1.00 0.00 C ATOM 0 H ALA C 47 4.171 11.894 -2.622 1.00 0.00 H new ATOM 0 HA ALA C 47 1.534 12.013 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.988 14.314 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.274 13.162 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.532 14.327 -2.161 1.00 0.00 H new ATOM 1381 N ALA C 48 2.104 14.216 -4.564 1.00 0.00 N ATOM 1382 CA ALA C 48 1.389 15.018 -5.551 1.00 0.00 C ATOM 1383 C ALA C 48 0.949 14.198 -6.748 1.00 0.00 C ATOM 1384 O ALA C 48 -0.130 14.424 -7.292 1.00 0.00 O ATOM 1385 CB ALA C 48 2.227 16.172 -6.027 1.00 0.00 C ATOM 0 H ALA C 48 3.118 14.324 -4.573 1.00 0.00 H new ATOM 0 HA ALA C 48 0.500 15.397 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.666 16.750 -6.761 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.482 16.810 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.141 15.794 -6.484 1.00 0.00 H new ATOM 1391 N SER C 49 1.779 13.251 -7.154 1.00 0.00 N ATOM 1392 CA SER C 49 1.497 12.444 -8.326 1.00 0.00 C ATOM 1393 C SER C 49 0.186 11.681 -8.159 1.00 0.00 C ATOM 1394 O SER C 49 -0.554 11.474 -9.120 1.00 0.00 O ATOM 1395 CB SER C 49 2.656 11.486 -8.573 1.00 0.00 C ATOM 1396 OG SER C 49 3.609 11.570 -7.524 1.00 0.00 O ATOM 0 H SER C 49 2.656 13.023 -6.686 1.00 0.00 H new ATOM 0 HA SER C 49 1.387 13.099 -9.190 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.281 10.465 -8.649 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.133 11.722 -9.524 1.00 0.00 H new ATOM 0 HG SER C 49 4.415 11.071 -7.773 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.106 11.299 -6.926 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.326 10.568 -6.624 1.00 0.00 C ATOM 1404 C VAL C 50 -2.361 11.450 -5.933 1.00 0.00 C ATOM 1405 O VAL C 50 -3.451 10.979 -5.621 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.035 9.344 -5.738 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.101 8.379 -6.452 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.448 9.777 -4.404 1.00 0.00 C ATOM 0 H VAL C 50 0.487 11.484 -6.117 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.733 10.236 -7.579 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.975 8.827 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.094 7.519 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.565 8.042 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.839 8.883 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.249 8.898 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.482 10.319 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -1.156 10.426 -3.888 1.00 0.00 H new ATOM 1418 N SER C 51 -1.995 12.715 -5.659 1.00 0.00 N ATOM 1419 CA SER C 51 -2.890 13.692 -5.033 1.00 0.00 C ATOM 1420 C SER C 51 -3.227 13.234 -3.626 1.00 0.00 C ATOM 1421 O SER C 51 -4.225 13.641 -3.028 1.00 0.00 O ATOM 1422 CB SER C 51 -4.164 13.954 -5.867 1.00 0.00 C ATOM 1423 OG SER C 51 -5.072 12.862 -5.851 1.00 0.00 O ATOM 0 H SER C 51 -1.067 13.085 -5.868 1.00 0.00 H new ATOM 0 HA SER C 51 -2.368 14.648 -4.985 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.666 14.842 -5.484 1.00 0.00 H new ATOM 0 HB3 SER C 51 -3.880 14.168 -6.897 1.00 0.00 H new ATOM 0 HG SER C 51 -4.636 12.079 -5.454 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.364 12.374 -3.107 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.486 11.884 -1.759 1.00 0.00 C ATOM 1431 C ILE C 52 -1.217 12.203 -0.993 1.00 0.00 C ATOM 1432 O ILE C 52 -0.152 11.728 -1.357 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.712 10.354 -1.693 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.917 9.924 -2.536 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.897 9.920 -0.239 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.243 10.140 -1.844 1.00 0.00 C ATOM 0 H ILE C 52 -1.562 12.001 -3.615 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.356 12.375 -1.323 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.831 9.864 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.911 10.479 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.816 8.869 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.056 8.842 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.006 10.177 0.334 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.761 10.430 0.186 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.052 9.814 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.269 9.563 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.366 11.199 -1.615 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.301 13.016 0.058 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.148 13.319 0.891 1.00 0.00 C ATOM 1450 C PRO C 53 0.266 12.138 1.750 1.00 0.00 C ATOM 1451 O PRO C 53 -0.562 11.323 2.155 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.601 14.450 1.783 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.981 14.828 1.356 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.511 13.704 0.515 1.00 0.00 C ATOM 0 HA PRO C 53 0.716 13.569 0.276 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.593 14.141 2.828 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.074 15.301 1.697 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.620 14.993 2.223 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.966 15.759 0.789 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.156 13.041 1.092 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.102 14.074 -0.322 1.00 0.00 H new ATOM 1462 N SER C 54 1.557 12.089 2.029 1.00 0.00 N ATOM 1463 CA SER C 54 2.194 11.016 2.770 1.00 0.00 C ATOM 1464 C SER C 54 1.510 10.721 4.106 1.00 0.00 C ATOM 1465 O SER C 54 1.601 9.605 4.616 1.00 0.00 O ATOM 1466 CB SER C 54 3.666 11.377 2.968 1.00 0.00 C ATOM 1467 OG SER C 54 3.840 12.784 3.051 1.00 0.00 O ATOM 0 H SER C 54 2.210 12.817 1.737 1.00 0.00 H new ATOM 0 HA SER C 54 2.104 10.097 2.192 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.040 10.907 3.878 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.255 10.983 2.140 1.00 0.00 H new ATOM 0 HG SER C 54 4.610 12.985 3.623 1.00 0.00 H new ATOM 1473 N GLU C 55 0.824 11.709 4.667 1.00 0.00 N ATOM 1474 CA GLU C 55 0.110 11.507 5.924 1.00 0.00 C ATOM 1475 C GLU C 55 -1.170 10.687 5.710 1.00 0.00 C ATOM 1476 O GLU C 55 -1.626 9.988 6.614 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.240 12.847 6.565 1.00 0.00 C ATOM 1478 CG GLU C 55 -1.113 13.690 5.702 1.00 0.00 C ATOM 1479 CD GLU C 55 -1.563 14.970 6.364 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -0.715 15.847 6.623 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -2.775 15.108 6.619 1.00 0.00 O ATOM 0 H GLU C 55 0.746 12.649 4.278 1.00 0.00 H new ATOM 0 HA GLU C 55 0.770 10.953 6.591 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.741 12.669 7.517 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.679 13.390 6.785 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.576 13.934 4.785 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.991 13.112 5.413 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.730 10.760 4.507 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.026 10.148 4.227 1.00 0.00 C ATOM 1490 C LYS C 56 -2.877 8.876 3.395 1.00 0.00 C ATOM 1491 O LYS C 56 -3.740 7.998 3.429 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.926 11.138 3.478 1.00 0.00 C ATOM 1493 CG LYS C 56 -3.937 12.542 4.067 1.00 0.00 C ATOM 1494 CD LYS C 56 -4.993 13.411 3.406 1.00 0.00 C ATOM 1495 CE LYS C 56 -4.906 14.868 3.849 1.00 0.00 C ATOM 1496 NZ LYS C 56 -5.094 15.036 5.313 1.00 0.00 N ATOM 0 H LYS C 56 -1.308 11.236 3.710 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.478 9.885 5.183 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.599 11.195 2.440 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.945 10.751 3.471 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.127 12.487 5.139 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -2.956 12.999 3.940 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.880 13.356 2.323 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -5.982 13.020 3.643 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -3.935 15.273 3.563 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -5.662 15.449 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -5.313 16.031 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -5.879 14.434 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -4.222 14.761 5.809 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.782 8.797 2.645 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.527 7.680 1.731 1.00 0.00 C ATOM 1512 C GLN C 57 -1.553 6.339 2.452 1.00 0.00 C ATOM 1513 O GLN C 57 -0.831 6.134 3.431 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.150 7.825 1.100 1.00 0.00 C ATOM 1515 CG GLN C 57 0.058 9.043 0.246 1.00 0.00 C ATOM 1516 CD GLN C 57 1.510 9.263 -0.055 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.365 8.877 0.719 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.796 9.909 -1.156 1.00 0.00 N ATOM 0 H GLN C 57 -1.045 9.502 2.651 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.315 7.706 0.978 1.00 0.00 H new ATOM 0 HB2 GLN C 57 0.594 7.833 1.897 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.044 6.942 0.492 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.495 8.933 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.346 9.918 0.755 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.047 10.215 -1.777 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.768 10.107 -1.393 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.364 5.425 1.955 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.356 4.056 2.443 1.00 0.00 C ATOM 1529 C ARG C 58 -2.089 3.108 1.284 1.00 0.00 C ATOM 1530 O ARG C 58 -2.927 2.965 0.392 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.692 3.708 3.110 1.00 0.00 C ATOM 1532 CG ARG C 58 -4.031 4.575 4.314 1.00 0.00 C ATOM 1533 CD ARG C 58 -2.994 4.430 5.417 1.00 0.00 C ATOM 1534 NE ARG C 58 -3.243 5.341 6.534 1.00 0.00 N ATOM 1535 CZ ARG C 58 -2.326 5.665 7.447 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -1.118 5.118 7.405 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -2.625 6.531 8.407 1.00 0.00 N ATOM 0 H ARG C 58 -3.039 5.605 1.212 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.567 3.953 3.188 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.489 3.802 2.372 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.668 2.664 3.423 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -4.092 5.619 4.006 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -5.013 4.298 4.698 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -2.995 3.403 5.781 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -2.002 4.622 5.008 1.00 0.00 H new ATOM 0 HE ARG C 58 -4.172 5.753 6.620 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -0.887 4.447 6.672 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -0.420 5.369 8.105 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -3.555 6.948 8.446 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -1.925 6.780 9.106 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.912 2.487 1.268 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.560 1.573 0.210 1.00 0.00 C ATOM 1553 C LEU C 59 -1.055 0.166 0.537 1.00 0.00 C ATOM 1554 O LEU C 59 -0.576 -0.449 1.473 1.00 0.00 O ATOM 1555 CB LEU C 59 0.953 1.538 0.061 1.00 0.00 C ATOM 1556 CG LEU C 59 1.670 2.864 -0.206 1.00 0.00 C ATOM 1557 CD1 LEU C 59 0.844 3.785 -1.092 1.00 0.00 C ATOM 1558 CD2 LEU C 59 2.025 3.520 1.106 1.00 0.00 C ATOM 0 H LEU C 59 -0.192 2.607 1.981 1.00 0.00 H new ATOM 0 HA LEU C 59 -1.025 1.911 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.370 1.108 0.971 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.195 0.855 -0.754 1.00 0.00 H new ATOM 0 HG LEU C 59 2.590 2.658 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU C 59 1.388 4.715 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU C 59 0.658 3.298 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU C 59 -0.106 4.002 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.535 4.464 0.914 1.00 0.00 H new ATOM 0 HD22 LEU C 59 1.115 3.709 1.676 1.00 0.00 H new ATOM 0 HD23 LEU C 59 2.681 2.862 1.676 1.00 0.00 H new ATOM 1570 N ILE C 60 -2.018 -0.341 -0.208 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.461 -1.714 -0.004 1.00 0.00 C ATOM 1572 C ILE C 60 -2.053 -2.597 -1.170 1.00 0.00 C ATOM 1573 O ILE C 60 -2.434 -2.350 -2.316 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.984 -1.816 0.152 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.504 -0.690 1.029 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.362 -3.170 0.751 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.984 -0.464 0.858 1.00 0.00 C ATOM 0 H ILE C 60 -2.504 0.164 -0.949 1.00 0.00 H new ATOM 0 HA ILE C 60 -1.982 -2.050 0.916 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.442 -1.727 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.293 -0.920 2.073 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.969 0.229 0.790 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.445 -3.231 0.857 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.016 -3.968 0.094 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.895 -3.278 1.730 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.305 0.351 1.507 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.195 -0.206 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.524 -1.373 1.123 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.279 -3.620 -0.881 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.952 -4.621 -1.872 1.00 0.00 C ATOM 1591 C TYR C 61 -1.243 -6.002 -1.302 1.00 0.00 C ATOM 1592 O TYR C 61 -0.892 -6.274 -0.159 1.00 0.00 O ATOM 1593 CB TYR C 61 0.505 -4.503 -2.325 1.00 0.00 C ATOM 1594 CG TYR C 61 0.838 -5.494 -3.408 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.117 -5.496 -4.590 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.836 -6.443 -3.241 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.379 -6.409 -5.581 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.104 -7.368 -4.230 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.372 -7.348 -5.400 1.00 0.00 C ATOM 1600 OH TYR C 61 1.627 -8.267 -6.393 1.00 0.00 O ATOM 0 H TYR C 61 -0.863 -3.781 0.036 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.570 -4.461 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.692 -3.492 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.164 -4.662 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.666 -4.766 -4.735 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.410 -6.458 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.190 -6.392 -6.499 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.882 -8.103 -4.089 1.00 0.00 H new ATOM 0 HH TYR C 61 2.356 -8.858 -6.112 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.897 -6.852 -2.108 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.389 -8.170 -1.677 1.00 0.00 C ATOM 1612 C GLN C 62 -3.023 -8.111 -0.282 1.00 0.00 C ATOM 1613 O GLN C 62 -2.807 -8.984 0.557 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.290 -9.250 -1.755 1.00 0.00 C ATOM 1615 CG GLN C 62 0.028 -8.875 -1.099 1.00 0.00 C ATOM 1616 CD GLN C 62 0.998 -10.027 -1.002 1.00 0.00 C ATOM 1617 OE1 GLN C 62 2.213 -9.834 -1.005 1.00 0.00 O ATOM 1618 NE2 GLN C 62 0.479 -11.233 -0.920 1.00 0.00 N ATOM 0 H GLN C 62 -2.101 -6.643 -3.085 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.172 -8.460 -2.377 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -1.664 -10.162 -1.289 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.103 -9.482 -2.804 1.00 0.00 H new ATOM 0 HG2 GLN C 62 0.491 -8.067 -1.666 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.169 -8.490 -0.098 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -0.534 -11.353 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN C 62 1.089 -12.048 -0.856 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.810 -7.057 -0.050 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.534 -6.900 1.204 1.00 0.00 C ATOM 1629 C GLY C 63 -3.644 -6.526 2.378 1.00 0.00 C ATOM 1630 O GLY C 63 -4.116 -6.425 3.512 1.00 0.00 O ATOM 0 H GLY C 63 -3.959 -6.301 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.298 -6.133 1.079 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.052 -7.831 1.434 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.366 -6.312 2.106 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.408 -5.939 3.133 1.00 0.00 C ATOM 1636 C ARG C 64 -1.259 -4.431 3.131 1.00 0.00 C ATOM 1637 O ARG C 64 -1.073 -3.827 2.074 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.054 -6.599 2.861 1.00 0.00 C ATOM 1639 CG ARG C 64 0.933 -6.502 4.006 1.00 0.00 C ATOM 1640 CD ARG C 64 0.477 -7.358 5.167 1.00 0.00 C ATOM 1641 NE ARG C 64 0.365 -8.765 4.797 1.00 0.00 N ATOM 1642 CZ ARG C 64 0.066 -9.741 5.653 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -0.127 -9.466 6.938 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -0.040 -10.994 5.227 1.00 0.00 N ATOM 0 H ARG C 64 -1.966 -6.392 1.171 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.764 -6.277 4.106 1.00 0.00 H new ATOM 0 HB2 ARG C 64 -0.217 -7.651 2.627 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.388 -6.140 1.977 1.00 0.00 H new ATOM 0 HG2 ARG C 64 1.919 -6.825 3.673 1.00 0.00 H new ATOM 0 HG3 ARG C 64 1.028 -5.464 4.326 1.00 0.00 H new ATOM 0 HD2 ARG C 64 1.182 -7.255 5.992 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -0.488 -6.999 5.525 1.00 0.00 H new ATOM 0 HE ARG C 64 0.526 -9.017 3.822 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -0.046 -8.505 7.272 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -0.356 -10.215 7.591 1.00 0.00 H new ATOM 0 HH21 ARG C 64 0.108 -11.212 4.242 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -0.269 -11.739 5.885 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.352 -3.821 4.297 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.317 -2.378 4.381 1.00 0.00 C ATOM 1660 C VAL C 65 0.117 -1.889 4.555 1.00 0.00 C ATOM 1661 O VAL C 65 0.675 -1.919 5.654 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.190 -1.857 5.533 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.804 -0.512 5.168 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.264 -2.873 5.901 1.00 0.00 C ATOM 0 H VAL C 65 -1.452 -4.300 5.192 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.720 -1.986 3.447 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.558 -1.713 6.409 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.419 -0.157 5.994 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -2.010 0.209 4.971 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.422 -0.624 4.277 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.870 -2.482 6.719 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.900 -3.060 5.036 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.792 -3.805 6.212 1.00 0.00 H new ATOM 1674 N LEU C 66 0.705 -1.462 3.452 1.00 0.00 N ATOM 1675 CA LEU C 66 2.069 -0.960 3.427 1.00 0.00 C ATOM 1676 C LEU C 66 2.059 0.523 3.769 1.00 0.00 C ATOM 1677 O LEU C 66 1.057 1.209 3.545 1.00 0.00 O ATOM 1678 CB LEU C 66 2.687 -1.150 2.038 1.00 0.00 C ATOM 1679 CG LEU C 66 1.990 -2.163 1.121 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.580 -2.090 -0.271 1.00 0.00 C ATOM 1681 CD2 LEU C 66 2.098 -3.582 1.664 1.00 0.00 C ATOM 0 H LEU C 66 0.247 -1.453 2.541 1.00 0.00 H new ATOM 0 HA LEU C 66 2.662 -1.513 4.155 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.701 -0.184 1.534 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.725 -1.459 2.164 1.00 0.00 H new ATOM 0 HG LEU C 66 0.932 -1.905 1.081 1.00 0.00 H new ATOM 0 HD11 LEU C 66 2.080 -2.812 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.441 -1.087 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.645 -2.319 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.592 -4.270 0.987 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.148 -3.861 1.747 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.631 -3.632 2.647 1.00 0.00 H new ATOM 1693 N GLN C 67 3.161 1.029 4.290 1.00 0.00 N ATOM 1694 CA GLN C 67 3.209 2.411 4.736 1.00 0.00 C ATOM 1695 C GLN C 67 4.657 2.862 4.971 1.00 0.00 C ATOM 1696 O GLN C 67 5.589 2.144 4.636 1.00 0.00 O ATOM 1697 CB GLN C 67 2.386 2.559 6.019 1.00 0.00 C ATOM 1698 CG GLN C 67 2.710 1.506 7.070 1.00 0.00 C ATOM 1699 CD GLN C 67 1.741 1.521 8.234 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.211 2.569 8.605 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.491 0.357 8.808 1.00 0.00 N ATOM 0 H GLN C 67 4.030 0.509 4.415 1.00 0.00 H new ATOM 0 HA GLN C 67 2.785 3.048 3.959 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.560 3.549 6.441 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.326 2.500 5.771 1.00 0.00 H new ATOM 0 HG2 GLN C 67 2.698 0.520 6.606 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.721 1.670 7.443 1.00 0.00 H new ATOM 0 HE21 GLN C 67 1.952 -0.488 8.470 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.837 0.304 9.589 1.00 0.00 H new ATOM 1710 N ASP C 68 4.826 4.035 5.580 1.00 0.00 N ATOM 1711 CA ASP C 68 6.139 4.619 5.883 1.00 0.00 C ATOM 1712 C ASP C 68 6.946 3.795 6.896 1.00 0.00 C ATOM 1713 O ASP C 68 8.076 4.147 7.223 1.00 0.00 O ATOM 1714 CB ASP C 68 5.968 6.054 6.388 1.00 0.00 C ATOM 1715 CG ASP C 68 4.928 6.169 7.480 1.00 0.00 C ATOM 1716 OD1 ASP C 68 3.725 6.023 7.170 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.303 6.397 8.647 1.00 0.00 O ATOM 0 H ASP C 68 4.045 4.618 5.883 1.00 0.00 H new ATOM 0 HA ASP C 68 6.708 4.616 4.954 1.00 0.00 H new ATOM 0 HB2 ASP C 68 6.924 6.419 6.763 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.686 6.697 5.554 1.00 0.00 H new ATOM 1722 N ASP C 69 6.361 2.703 7.381 1.00 0.00 N ATOM 1723 CA ASP C 69 6.974 1.850 8.415 1.00 0.00 C ATOM 1724 C ASP C 69 8.295 1.221 7.957 1.00 0.00 C ATOM 1725 O ASP C 69 8.987 0.568 8.740 1.00 0.00 O ATOM 1726 CB ASP C 69 5.997 0.748 8.802 1.00 0.00 C ATOM 1727 CG ASP C 69 6.476 -0.079 9.979 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.551 0.459 11.104 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.777 -1.275 9.781 1.00 0.00 O ATOM 0 H ASP C 69 5.445 2.377 7.072 1.00 0.00 H new ATOM 0 HA ASP C 69 7.199 2.487 9.271 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.033 1.194 9.046 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.838 0.093 7.945 1.00 0.00 H new ATOM 1734 N LYS C 70 8.605 1.410 6.679 1.00 0.00 N ATOM 1735 CA LYS C 70 9.892 1.025 6.065 1.00 0.00 C ATOM 1736 C LYS C 70 9.868 -0.410 5.551 1.00 0.00 C ATOM 1737 O LYS C 70 8.925 -1.162 5.815 1.00 0.00 O ATOM 1738 CB LYS C 70 11.087 1.200 7.023 1.00 0.00 C ATOM 1739 CG LYS C 70 11.217 2.585 7.643 1.00 0.00 C ATOM 1740 CD LYS C 70 12.449 2.669 8.533 1.00 0.00 C ATOM 1741 CE LYS C 70 12.419 3.895 9.432 1.00 0.00 C ATOM 1742 NZ LYS C 70 11.391 3.785 10.502 1.00 0.00 N ATOM 0 H LYS C 70 7.961 1.844 6.018 1.00 0.00 H new ATOM 0 HA LYS C 70 10.026 1.706 5.225 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.001 0.466 7.824 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.005 0.974 6.480 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.281 3.336 6.855 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.325 2.811 8.228 1.00 0.00 H new ATOM 0 HD2 LYS C 70 12.515 1.771 9.147 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.344 2.697 7.912 1.00 0.00 H new ATOM 0 HE2 LYS C 70 13.400 4.034 9.886 1.00 0.00 H new ATOM 0 HE3 LYS C 70 12.219 4.781 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 11.560 4.516 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 10.445 3.917 10.090 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 11.448 2.845 10.943 1.00 0.00 H new ATOM 1756 N LYS C 71 10.925 -0.764 4.809 1.00 0.00 N ATOM 1757 CA LYS C 71 11.121 -2.111 4.271 1.00 0.00 C ATOM 1758 C LYS C 71 10.140 -2.413 3.136 1.00 0.00 C ATOM 1759 O LYS C 71 9.143 -3.109 3.321 1.00 0.00 O ATOM 1760 CB LYS C 71 11.013 -3.164 5.383 1.00 0.00 C ATOM 1761 CG LYS C 71 12.073 -3.026 6.468 1.00 0.00 C ATOM 1762 CD LYS C 71 13.469 -3.339 5.944 1.00 0.00 C ATOM 1763 CE LYS C 71 13.660 -4.827 5.676 1.00 0.00 C ATOM 1764 NZ LYS C 71 13.554 -5.637 6.919 1.00 0.00 N ATOM 0 H LYS C 71 11.673 -0.116 4.565 1.00 0.00 H new ATOM 0 HA LYS C 71 12.127 -2.155 3.854 1.00 0.00 H new ATOM 0 HB2 LYS C 71 10.027 -3.094 5.841 1.00 0.00 H new ATOM 0 HB3 LYS C 71 11.089 -4.157 4.939 1.00 0.00 H new ATOM 0 HG2 LYS C 71 12.054 -2.012 6.867 1.00 0.00 H new ATOM 0 HG3 LYS C 71 11.837 -3.697 7.294 1.00 0.00 H new ATOM 0 HD2 LYS C 71 13.645 -2.780 5.025 1.00 0.00 H new ATOM 0 HD3 LYS C 71 14.211 -3.003 6.668 1.00 0.00 H new ATOM 0 HE2 LYS C 71 12.912 -5.165 4.959 1.00 0.00 H new ATOM 0 HE3 LYS C 71 14.636 -4.990 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 13.965 -6.578 6.756 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 14.069 -5.162 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 12.553 -5.738 7.184 1.00 0.00 H new ATOM 1778 N LEU C 72 10.459 -1.902 1.949 1.00 0.00 N ATOM 1779 CA LEU C 72 9.618 -2.087 0.765 1.00 0.00 C ATOM 1780 C LEU C 72 9.622 -3.540 0.285 1.00 0.00 C ATOM 1781 O LEU C 72 8.646 -4.015 -0.296 1.00 0.00 O ATOM 1782 CB LEU C 72 10.086 -1.158 -0.366 1.00 0.00 C ATOM 1783 CG LEU C 72 9.644 0.303 -0.239 1.00 0.00 C ATOM 1784 CD1 LEU C 72 10.367 1.191 -1.236 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.145 0.417 -0.450 1.00 0.00 C ATOM 0 H LEU C 72 11.301 -1.352 1.779 1.00 0.00 H new ATOM 0 HA LEU C 72 8.595 -1.833 1.045 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.175 -1.188 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.716 -1.551 -1.313 1.00 0.00 H new ATOM 0 HG LEU C 72 9.899 0.639 0.766 1.00 0.00 H new ATOM 0 HD11 LEU C 72 10.029 2.221 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU C 72 11.441 1.139 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU C 72 10.151 0.852 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU C 72 7.843 1.460 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU C 72 7.889 0.052 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU C 72 7.626 -0.179 0.300 1.00 0.00 H new ATOM 1797 N GLN C 73 10.720 -4.238 0.532 1.00 0.00 N ATOM 1798 CA GLN C 73 10.871 -5.630 0.121 1.00 0.00 C ATOM 1799 C GLN C 73 9.946 -6.541 0.905 1.00 0.00 C ATOM 1800 O GLN C 73 9.543 -7.598 0.424 1.00 0.00 O ATOM 1801 CB GLN C 73 12.291 -6.074 0.306 1.00 0.00 C ATOM 1802 CG GLN C 73 12.632 -7.366 -0.416 1.00 0.00 C ATOM 1803 CD GLN C 73 14.019 -7.874 -0.083 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.513 -7.688 1.029 1.00 0.00 O ATOM 1805 NE2 GLN C 73 14.665 -8.495 -1.052 1.00 0.00 N ATOM 0 H GLN C 73 11.531 -3.859 1.021 1.00 0.00 H new ATOM 0 HA GLN C 73 10.604 -5.695 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.956 -5.286 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.485 -6.202 1.371 1.00 0.00 H new ATOM 0 HG2 GLN C 73 11.898 -8.128 -0.154 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.557 -7.207 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.218 -8.628 -1.959 1.00 0.00 H new ATOM 0 HE22 GLN C 73 15.611 -8.842 -0.894 1.00 0.00 H new ATOM 1814 N GLU C 74 9.610 -6.121 2.114 1.00 0.00 N ATOM 1815 CA GLU C 74 8.635 -6.825 2.927 1.00 0.00 C ATOM 1816 C GLU C 74 7.284 -6.789 2.235 1.00 0.00 C ATOM 1817 O GLU C 74 6.449 -7.677 2.413 1.00 0.00 O ATOM 1818 CB GLU C 74 8.542 -6.198 4.315 1.00 0.00 C ATOM 1819 CG GLU C 74 9.827 -6.318 5.112 1.00 0.00 C ATOM 1820 CD GLU C 74 10.197 -7.752 5.413 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.446 -8.417 6.155 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.240 -8.217 4.913 1.00 0.00 O ATOM 0 H GLU C 74 10.002 -5.289 2.555 1.00 0.00 H new ATOM 0 HA GLU C 74 8.950 -7.862 3.047 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.282 -5.144 4.214 1.00 0.00 H new ATOM 0 HB3 GLU C 74 7.733 -6.675 4.868 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.639 -5.847 4.558 1.00 0.00 H new ATOM 0 HG3 GLU C 74 9.721 -5.771 6.049 1.00 0.00 H new ATOM 1829 N TYR C 75 7.081 -5.753 1.430 1.00 0.00 N ATOM 1830 CA TYR C 75 5.850 -5.604 0.701 1.00 0.00 C ATOM 1831 C TYR C 75 6.012 -6.298 -0.641 1.00 0.00 C ATOM 1832 O TYR C 75 5.036 -6.714 -1.265 1.00 0.00 O ATOM 1833 CB TYR C 75 5.520 -4.120 0.505 1.00 0.00 C ATOM 1834 CG TYR C 75 5.687 -3.267 1.752 1.00 0.00 C ATOM 1835 CD1 TYR C 75 5.207 -3.684 2.993 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.326 -2.038 1.683 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.366 -2.900 4.119 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.488 -1.248 2.808 1.00 0.00 C ATOM 1839 CZ TYR C 75 6.007 -1.685 4.022 1.00 0.00 C ATOM 1840 OH TYR C 75 6.160 -0.898 5.139 1.00 0.00 O ATOM 0 H TYR C 75 7.760 -5.009 1.273 1.00 0.00 H new ATOM 0 HA TYR C 75 5.027 -6.053 1.257 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.159 -3.720 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.491 -4.033 0.156 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.703 -4.635 3.075 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.705 -1.691 0.733 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.989 -3.239 5.073 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.989 -0.294 2.734 1.00 0.00 H new ATOM 0 HH TYR C 75 7.092 -0.934 5.440 1.00 0.00 H new ATOM 1850 N ASN C 76 7.285 -6.435 -1.050 1.00 0.00 N ATOM 1851 CA ASN C 76 7.662 -7.145 -2.272 1.00 0.00 C ATOM 1852 C ASN C 76 6.928 -6.560 -3.466 1.00 0.00 C ATOM 1853 O ASN C 76 6.360 -7.277 -4.288 1.00 0.00 O ATOM 1854 CB ASN C 76 7.361 -8.644 -2.133 1.00 0.00 C ATOM 1855 CG ASN C 76 7.865 -9.471 -3.294 1.00 0.00 C ATOM 1856 OD1 ASN C 76 7.271 -10.489 -3.648 1.00 0.00 O ATOM 1857 ND2 ASN C 76 8.958 -9.057 -3.891 1.00 0.00 N ATOM 0 H ASN C 76 8.080 -6.053 -0.537 1.00 0.00 H new ATOM 0 HA ASN C 76 8.733 -7.024 -2.432 1.00 0.00 H new ATOM 0 HB2 ASN C 76 7.812 -9.013 -1.212 1.00 0.00 H new ATOM 0 HB3 ASN C 76 6.284 -8.783 -2.039 1.00 0.00 H new ATOM 0 HD21 ASN C 76 9.341 -9.584 -4.676 1.00 0.00 H new ATOM 0 HD22 ASN C 76 9.424 -8.208 -3.570 1.00 0.00 H new ATOM 1864 N VAL C 77 6.928 -5.242 -3.559 1.00 0.00 N ATOM 1865 CA VAL C 77 6.146 -4.587 -4.596 1.00 0.00 C ATOM 1866 C VAL C 77 6.959 -4.300 -5.863 1.00 0.00 C ATOM 1867 O VAL C 77 6.456 -3.660 -6.786 1.00 0.00 O ATOM 1868 CB VAL C 77 5.486 -3.298 -4.080 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.557 -3.622 -2.918 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.528 -2.272 -3.676 1.00 0.00 C ATOM 0 H VAL C 77 7.448 -4.615 -2.945 1.00 0.00 H new ATOM 0 HA VAL C 77 5.362 -5.293 -4.868 1.00 0.00 H new ATOM 0 HB VAL C 77 4.897 -2.862 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL C 77 4.092 -2.704 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.783 -4.313 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL C 77 5.129 -4.081 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL C 77 6.031 -1.371 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL C 77 7.155 -2.682 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL C 77 7.148 -2.024 -4.538 1.00 0.00 H new ATOM 1880 N GLY C 78 8.217 -4.751 -5.900 1.00 0.00 N ATOM 1881 CA GLY C 78 8.993 -4.687 -7.113 1.00 0.00 C ATOM 1882 C GLY C 78 8.350 -5.370 -8.272 1.00 0.00 C ATOM 1883 O GLY C 78 8.370 -6.592 -8.424 1.00 0.00 O ATOM 0 H GLY C 78 8.705 -5.159 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY C 78 9.166 -3.642 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.969 -5.137 -6.933 1.00 0.00 H new ATOM 1887 N GLY C 79 7.774 -4.524 -9.055 1.00 0.00 N ATOM 1888 CA GLY C 79 7.196 -4.906 -10.327 1.00 0.00 C ATOM 1889 C GLY C 79 5.712 -5.210 -10.251 1.00 0.00 C ATOM 1890 O GLY C 79 5.150 -5.813 -11.167 1.00 0.00 O ATOM 0 H GLY C 79 7.683 -3.531 -8.840 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.358 -4.103 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.720 -5.784 -10.706 1.00 0.00 H new ATOM 1894 N LYS C 80 5.085 -4.808 -9.158 1.00 0.00 N ATOM 1895 CA LYS C 80 3.658 -5.067 -8.931 1.00 0.00 C ATOM 1896 C LYS C 80 2.911 -3.760 -8.667 1.00 0.00 C ATOM 1897 O LYS C 80 3.440 -2.901 -7.966 1.00 0.00 O ATOM 1898 CB LYS C 80 3.492 -5.975 -7.709 1.00 0.00 C ATOM 1899 CG LYS C 80 4.475 -7.132 -7.649 1.00 0.00 C ATOM 1900 CD LYS C 80 4.250 -8.126 -8.774 1.00 0.00 C ATOM 1901 CE LYS C 80 5.291 -9.230 -8.745 1.00 0.00 C ATOM 1902 NZ LYS C 80 5.174 -10.066 -7.522 1.00 0.00 N ATOM 0 H LYS C 80 5.540 -4.296 -8.403 1.00 0.00 H new ATOM 0 HA LYS C 80 3.249 -5.545 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.602 -5.373 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.478 -6.375 -7.704 1.00 0.00 H new ATOM 0 HG2 LYS C 80 5.493 -6.746 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS C 80 4.378 -7.641 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS C 80 3.254 -8.559 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS C 80 4.290 -7.610 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS C 80 5.178 -9.859 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS C 80 6.288 -8.791 -8.792 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 5.782 -10.904 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 5.472 -9.512 -6.693 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 4.186 -10.367 -7.400 1.00 0.00 H new ATOM 1916 N VAL C 81 1.691 -3.593 -9.210 1.00 0.00 N ATOM 1917 CA VAL C 81 0.919 -2.392 -8.898 1.00 0.00 C ATOM 1918 C VAL C 81 0.240 -2.525 -7.546 1.00 0.00 C ATOM 1919 O VAL C 81 -0.440 -3.514 -7.254 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.137 -1.949 -9.949 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.420 -1.701 -11.331 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.249 -2.921 -10.045 1.00 0.00 C ATOM 0 H VAL C 81 1.238 -4.252 -9.843 1.00 0.00 H new ATOM 0 HA VAL C 81 1.673 -1.605 -8.899 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.502 -0.992 -9.575 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.386 -1.396 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL C 81 1.171 -0.912 -11.285 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.878 -2.615 -11.708 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -1.968 -2.579 -10.789 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -0.857 -3.894 -10.340 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.742 -3.007 -9.077 1.00 0.00 H new ATOM 1932 N ILE C 82 0.492 -1.531 -6.714 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.150 -1.406 -5.429 1.00 0.00 C ATOM 1934 C ILE C 82 -1.504 -0.745 -5.603 1.00 0.00 C ATOM 1935 O ILE C 82 -1.814 -0.253 -6.672 1.00 0.00 O ATOM 1936 CB ILE C 82 0.729 -0.594 -4.446 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.084 -1.213 -4.332 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.095 -0.478 -3.065 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.013 -0.428 -3.439 1.00 0.00 C ATOM 0 H ILE C 82 1.155 -0.783 -6.918 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.287 -2.401 -5.006 1.00 0.00 H new ATOM 0 HB ILE C 82 0.819 0.414 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.984 -2.226 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.526 -1.295 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.749 0.100 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.869 0.023 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.049 -1.474 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE C 82 3.982 -0.926 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.140 0.578 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.590 -0.368 -2.436 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.336 -0.780 -4.591 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.559 -0.018 -4.623 1.00 0.00 C ATOM 1953 C HIS C 83 -3.508 1.055 -3.556 1.00 0.00 C ATOM 1954 O HIS C 83 -3.476 0.757 -2.364 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.771 -0.924 -4.383 1.00 0.00 C ATOM 1956 CG HIS C 83 -5.136 -1.771 -5.560 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.837 -3.115 -5.647 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.796 -1.462 -6.699 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.296 -3.591 -6.790 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.885 -2.608 -7.446 1.00 0.00 N ATOM 0 H HIS C 83 -2.190 -1.324 -3.741 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.660 0.440 -5.607 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.565 -1.572 -3.531 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.627 -0.306 -4.113 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -6.182 -0.491 -6.970 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -5.205 -4.612 -7.131 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -6.333 -2.688 -8.359 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.495 2.298 -3.983 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.452 3.401 -3.083 1.00 0.00 C ATOM 1971 C LEU C 84 -4.851 3.946 -2.857 1.00 0.00 C ATOM 1972 O LEU C 84 -5.614 4.157 -3.801 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.550 4.454 -3.654 1.00 0.00 C ATOM 1974 CG LEU C 84 -2.722 5.799 -3.028 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -2.448 5.743 -1.541 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.802 6.773 -3.682 1.00 0.00 C ATOM 0 H LEU C 84 -3.514 2.560 -4.968 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.061 3.081 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -1.514 4.137 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -2.735 4.536 -4.725 1.00 0.00 H new ATOM 0 HG LEU C 84 -3.754 6.120 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -2.580 6.735 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -3.141 5.047 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.425 5.407 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -1.927 7.755 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -0.771 6.442 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -2.034 6.835 -4.745 1.00 0.00 H new ATOM 1988 N VAL C 85 -5.179 4.169 -1.603 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.499 4.632 -1.230 1.00 0.00 C ATOM 1990 C VAL C 85 -6.423 5.852 -0.323 1.00 0.00 C ATOM 1991 O VAL C 85 -5.344 6.249 0.119 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.287 3.528 -0.504 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.588 2.374 -1.444 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.511 3.042 0.709 1.00 0.00 C ATOM 0 H VAL C 85 -4.543 4.036 -0.817 1.00 0.00 H new ATOM 0 HA VAL C 85 -7.011 4.901 -2.154 1.00 0.00 H new ATOM 0 HB VAL C 85 -8.236 3.945 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -8.146 1.605 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -8.181 2.734 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.653 1.953 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -7.078 2.261 1.215 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.549 2.642 0.389 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.348 3.874 1.394 1.00 0.00 H new