USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=26 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: C 76 ASN : amide:sc= -0.411 K(o=1.7,f=-0.29) USER MOD Set 1.2: C 80 LYS NZ :NH3+ -179:sc= 2.16 (180deg=2.1) USER MOD Set 2.1: C 61 TYR OH : rot 180:sc= -0.277 USER MOD Set 2.2: C 62 GLN : amide:sc= 0.737 K(o=0.46,f=-0.97) USER MOD Set 3.1: C 43 LYS NZ :NH3+ 176:sc= 1.92 (180deg=0.374) USER MOD Set 3.2: C 57 GLN : amide:sc= -1.98! C(o=-0.067!,f=-12!) USER MOD Set 4.1: C 37 MET CE :methyl -145:sc= 0 (180deg=0) USER MOD Set 4.2: C 38 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Set 5.1: A 13 CYS SG : rot -120:sc= -0.424! USER MOD Set 5.2: A 15 CYS SG : rot 176:sc= -2.88! USER MOD Set 5.3: A 16 CYS SG : rot -100:sc= 0.203 USER MOD Set 5.4: A 29 CYS SG : rot 164:sc= -3.51! USER MOD Set 5.5: A 32 CYS SG : rot -51:sc= 1.72 USER MOD Set 5.6: A 34 SER OG : rot -78:sc= 1.02 USER MOD Single : A 11 TYR OH : rot -130:sc= -0.989 USER MOD Single : A 14 HIS : no HE2:sc= -3.73! C(o=-3.7!,f=-5.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 MET CE :methyl 164:sc= -0.0283 (180deg=-0.332) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 180:sc= 0.0094 USER MOD Single : C 28 THR OG1 : rot 26:sc= -1.43 USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : C 36 GLN :FLIP amide:sc= -0.0624 F(o=-2.1!,f=-0.062) USER MOD Single : C 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00966) USER MOD Single : C 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 49 SER OG : rot -78:sc= 0.144 USER MOD Single : C 51 SER OG : rot 180:sc= 0 USER MOD Single : C 54 SER OG : rot 180:sc= -1.64! USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 67 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ 172:sc= 1.13 (180deg=0.955) USER MOD Single : C 73 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : C 75 TYR OH : rot 116:sc= 1.33 USER MOD Single : C 83 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 137 N ARG A 10 -11.842 -9.703 8.076 1.00 0.00 N ATOM 138 CA ARG A 10 -12.124 -8.284 8.227 1.00 0.00 C ATOM 139 C ARG A 10 -11.304 -7.471 7.252 1.00 0.00 C ATOM 140 O ARG A 10 -10.166 -7.098 7.526 1.00 0.00 O ATOM 141 CB ARG A 10 -11.832 -7.831 9.651 1.00 0.00 C ATOM 142 CG ARG A 10 -12.749 -8.465 10.668 1.00 0.00 C ATOM 143 CD ARG A 10 -12.377 -8.074 12.082 1.00 0.00 C ATOM 144 NE ARG A 10 -13.285 -8.682 13.048 1.00 0.00 N ATOM 145 CZ ARG A 10 -12.930 -9.085 14.265 1.00 0.00 C ATOM 146 NH1 ARG A 10 -11.678 -8.935 14.689 1.00 0.00 N ATOM 147 NH2 ARG A 10 -13.836 -9.638 15.057 1.00 0.00 N ATOM 0 HA ARG A 10 -13.181 -8.124 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.799 -8.074 9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.928 -6.747 9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.777 -8.165 10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.708 -9.550 10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.354 -8.386 12.292 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.406 -6.989 12.183 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.259 -8.807 12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.981 -8.508 14.079 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.415 -9.247 15.624 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.796 -9.752 14.732 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.574 -9.950 15.992 1.00 0.00 H new ATOM 161 N TYR A 11 -11.889 -7.224 6.104 1.00 0.00 N ATOM 162 CA TYR A 11 -11.315 -6.319 5.137 1.00 0.00 C ATOM 163 C TYR A 11 -12.244 -5.163 4.970 1.00 0.00 C ATOM 164 O TYR A 11 -13.425 -5.248 5.281 1.00 0.00 O ATOM 165 CB TYR A 11 -11.143 -6.961 3.771 1.00 0.00 C ATOM 166 CG TYR A 11 -10.016 -7.909 3.637 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.004 -9.101 4.334 1.00 0.00 C ATOM 168 CD2 TYR A 11 -8.969 -7.611 2.788 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.967 -9.982 4.186 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.919 -8.488 2.637 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.919 -9.676 3.341 1.00 0.00 C ATOM 172 OH TYR A 11 -6.870 -10.554 3.204 1.00 0.00 O ATOM 0 H TYR A 11 -12.773 -7.643 5.815 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.334 -6.021 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.065 -7.486 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.015 -6.169 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.819 -9.340 5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.974 -6.682 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.969 -10.915 4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.101 -8.249 1.973 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.024 -10.073 3.319 1.00 0.00 H new ATOM 182 N PHE A 12 -11.724 -4.122 4.422 1.00 0.00 N ATOM 183 CA PHE A 12 -12.495 -2.930 4.214 1.00 0.00 C ATOM 184 C PHE A 12 -12.130 -2.323 2.880 1.00 0.00 C ATOM 185 O PHE A 12 -10.982 -1.941 2.653 1.00 0.00 O ATOM 186 CB PHE A 12 -12.283 -1.921 5.340 1.00 0.00 C ATOM 187 CG PHE A 12 -13.243 -0.777 5.280 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.571 -0.973 5.612 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.830 0.482 4.875 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.475 0.068 5.539 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.731 1.528 4.794 1.00 0.00 C ATOM 192 CZ PHE A 12 -15.055 1.323 5.127 1.00 0.00 C ATOM 0 H PHE A 12 -10.757 -4.064 4.103 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.552 -3.197 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.387 -2.427 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.264 -1.537 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.904 -1.949 5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.794 0.648 4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.509 -0.096 5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.399 2.504 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.761 2.138 5.067 1.00 0.00 H new ATOM 202 N CYS A 13 -13.089 -2.267 1.982 1.00 0.00 N ATOM 203 CA CYS A 13 -12.852 -1.659 0.701 1.00 0.00 C ATOM 204 C CYS A 13 -13.273 -0.205 0.746 1.00 0.00 C ATOM 205 O CYS A 13 -14.454 0.111 0.913 1.00 0.00 O ATOM 206 CB CYS A 13 -13.573 -2.415 -0.402 1.00 0.00 C ATOM 207 SG CYS A 13 -14.213 -1.383 -1.739 1.00 0.00 S ATOM 0 H CYS A 13 -14.031 -2.633 2.118 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.787 -1.705 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.889 -3.150 -0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.402 -2.968 0.039 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.503 -1.524 -1.817 1.00 0.00 H new ATOM 212 N HIS A 14 -12.298 0.677 0.607 1.00 0.00 N ATOM 213 CA HIS A 14 -12.533 2.099 0.713 1.00 0.00 C ATOM 214 C HIS A 14 -13.353 2.631 -0.465 1.00 0.00 C ATOM 215 O HIS A 14 -13.849 3.752 -0.422 1.00 0.00 O ATOM 216 CB HIS A 14 -11.204 2.846 0.852 1.00 0.00 C ATOM 217 CG HIS A 14 -10.191 2.561 -0.219 1.00 0.00 C ATOM 218 ND1 HIS A 14 -10.079 3.315 -1.364 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.216 1.622 -0.295 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.086 2.854 -2.099 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.540 1.828 -1.472 1.00 0.00 N ATOM 0 H HIS A 14 -11.328 0.425 0.419 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.124 2.276 1.611 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.408 3.917 0.860 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.766 2.597 1.819 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.672 4.108 -1.607 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.009 0.854 0.435 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.772 3.249 -3.054 1.00 0.00 H new ATOM 230 N CYS A 15 -13.502 1.825 -1.512 1.00 0.00 N ATOM 231 CA CYS A 15 -14.385 2.185 -2.618 1.00 0.00 C ATOM 232 C CYS A 15 -15.847 2.086 -2.195 1.00 0.00 C ATOM 233 O CYS A 15 -16.670 2.918 -2.565 1.00 0.00 O ATOM 234 CB CYS A 15 -14.141 1.301 -3.812 1.00 0.00 C ATOM 235 SG CYS A 15 -12.419 1.205 -4.336 1.00 0.00 S ATOM 0 H CYS A 15 -13.029 0.928 -1.618 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.165 3.216 -2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -14.493 0.296 -3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -14.741 1.665 -4.646 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.308 0.347 -5.307 1.00 0.00 H new ATOM 241 N CYS A 16 -16.164 1.061 -1.410 1.00 0.00 N ATOM 242 CA CYS A 16 -17.525 0.857 -0.935 1.00 0.00 C ATOM 243 C CYS A 16 -17.762 1.610 0.375 1.00 0.00 C ATOM 244 O CYS A 16 -18.880 2.021 0.677 1.00 0.00 O ATOM 245 CB CYS A 16 -17.811 -0.640 -0.724 1.00 0.00 C ATOM 246 SG CYS A 16 -17.925 -1.624 -2.245 1.00 0.00 S ATOM 0 H CYS A 16 -15.496 0.360 -1.090 1.00 0.00 H new ATOM 0 HA CYS A 16 -18.202 1.245 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -17.025 -1.059 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.746 -0.741 -0.173 1.00 0.00 H new ATOM 0 HG CYS A 16 -19.175 -1.817 -2.545 1.00 0.00 H new ATOM 251 N SER A 17 -16.673 1.802 1.126 1.00 0.00 N ATOM 252 CA SER A 17 -16.713 2.318 2.499 1.00 0.00 C ATOM 253 C SER A 17 -17.567 1.401 3.368 1.00 0.00 C ATOM 254 O SER A 17 -18.162 1.822 4.359 1.00 0.00 O ATOM 255 CB SER A 17 -17.243 3.747 2.572 1.00 0.00 C ATOM 256 OG SER A 17 -16.915 4.486 1.404 1.00 0.00 O ATOM 0 H SER A 17 -15.729 1.602 0.795 1.00 0.00 H new ATOM 0 HA SER A 17 -15.688 2.337 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.325 3.728 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.827 4.246 3.448 1.00 0.00 H new ATOM 0 HG SER A 17 -17.270 5.396 1.482 1.00 0.00 H new ATOM 262 N VAL A 18 -17.595 0.138 2.981 1.00 0.00 N ATOM 263 CA VAL A 18 -18.317 -0.889 3.704 1.00 0.00 C ATOM 264 C VAL A 18 -17.392 -2.080 3.900 1.00 0.00 C ATOM 265 O VAL A 18 -16.560 -2.367 3.031 1.00 0.00 O ATOM 266 CB VAL A 18 -19.575 -1.333 2.926 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.289 -2.466 3.640 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.528 -0.166 2.716 1.00 0.00 C ATOM 0 H VAL A 18 -17.113 -0.204 2.150 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.639 -0.491 4.666 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.246 -1.692 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.171 -2.758 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.617 -3.319 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.593 -2.136 4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.405 -0.507 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.838 0.229 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.025 0.617 2.148 1.00 0.00 H new ATOM 278 N GLU A 19 -17.512 -2.751 5.036 1.00 0.00 N ATOM 279 CA GLU A 19 -16.638 -3.866 5.342 1.00 0.00 C ATOM 280 C GLU A 19 -17.031 -5.087 4.529 1.00 0.00 C ATOM 281 O GLU A 19 -18.211 -5.308 4.248 1.00 0.00 O ATOM 282 CB GLU A 19 -16.654 -4.189 6.821 1.00 0.00 C ATOM 283 CG GLU A 19 -15.492 -5.023 7.235 1.00 0.00 C ATOM 284 CD GLU A 19 -15.391 -5.217 8.729 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.125 -4.228 9.449 1.00 0.00 O ATOM 286 OE2 GLU A 19 -15.600 -6.357 9.194 1.00 0.00 O ATOM 0 H GLU A 19 -18.204 -2.542 5.756 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.622 -3.577 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.653 -3.261 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.578 -4.713 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.566 -5.998 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.574 -4.558 6.874 1.00 0.00 H new ATOM 293 N ILE A 20 -16.034 -5.871 4.152 1.00 0.00 N ATOM 294 CA ILE A 20 -16.226 -6.952 3.204 1.00 0.00 C ATOM 295 C ILE A 20 -15.515 -8.229 3.663 1.00 0.00 C ATOM 296 O ILE A 20 -14.698 -8.202 4.590 1.00 0.00 O ATOM 297 CB ILE A 20 -15.656 -6.577 1.833 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.170 -6.655 1.941 1.00 0.00 C ATOM 299 CG2 ILE A 20 -16.053 -5.168 1.441 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.470 -7.036 0.682 1.00 0.00 C ATOM 0 H ILE A 20 -15.077 -5.776 4.492 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.300 -7.126 3.140 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.044 -7.255 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.793 -5.687 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.914 -7.378 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.634 -4.931 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.140 -5.095 1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.672 -4.464 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.395 -7.067 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.813 -8.019 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.690 -6.302 -0.093 1.00 0.00 H new ATOM 312 N VAL A 21 -15.831 -9.337 3.004 1.00 0.00 N ATOM 313 CA VAL A 21 -15.024 -10.540 3.086 1.00 0.00 C ATOM 314 C VAL A 21 -14.630 -10.950 1.673 1.00 0.00 C ATOM 315 O VAL A 21 -15.396 -11.577 0.936 1.00 0.00 O ATOM 316 CB VAL A 21 -15.752 -11.710 3.783 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.849 -12.931 3.876 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.254 -11.310 5.161 1.00 0.00 C ATOM 0 H VAL A 21 -16.650 -9.423 2.402 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.147 -10.315 3.693 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.619 -11.967 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.384 -13.742 4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.559 -13.246 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.957 -12.681 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.761 -12.157 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.410 -11.009 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.951 -10.477 5.067 1.00 0.00 H new ATOM 328 N PRO A 22 -13.436 -10.519 1.293 1.00 0.00 N ATOM 329 CA PRO A 22 -12.873 -10.659 -0.049 1.00 0.00 C ATOM 330 C PRO A 22 -12.779 -12.079 -0.595 1.00 0.00 C ATOM 331 O PRO A 22 -13.050 -13.073 0.078 1.00 0.00 O ATOM 332 CB PRO A 22 -11.467 -10.085 0.088 1.00 0.00 C ATOM 333 CG PRO A 22 -11.226 -9.920 1.536 1.00 0.00 C ATOM 334 CD PRO A 22 -12.537 -9.775 2.171 1.00 0.00 C ATOM 0 HA PRO A 22 -13.528 -10.156 -0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.729 -10.754 -0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.384 -9.130 -0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.694 -10.782 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.605 -9.045 1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.538 -10.182 3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.830 -8.728 2.248 1.00 0.00 H new ATOM 342 N ARG A 23 -12.334 -12.119 -1.839 1.00 0.00 N ATOM 343 CA ARG A 23 -12.164 -13.311 -2.608 1.00 0.00 C ATOM 344 C ARG A 23 -10.674 -13.496 -2.823 1.00 0.00 C ATOM 345 O ARG A 23 -10.168 -13.513 -3.945 1.00 0.00 O ATOM 346 CB ARG A 23 -12.938 -13.165 -3.896 1.00 0.00 C ATOM 347 CG ARG A 23 -14.414 -13.447 -3.740 1.00 0.00 C ATOM 348 CD ARG A 23 -15.223 -12.369 -4.391 1.00 0.00 C ATOM 349 NE ARG A 23 -16.656 -12.565 -4.208 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.589 -11.946 -4.927 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.242 -11.111 -5.902 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.871 -12.167 -4.673 1.00 0.00 N ATOM 0 H ARG A 23 -12.073 -11.276 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.549 -14.199 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.807 -12.153 -4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.522 -13.843 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.656 -14.412 -4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.668 -13.513 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.935 -11.402 -3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.996 -12.341 -5.457 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.962 -13.216 -3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.256 -10.942 -6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.962 -10.639 -6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.140 -12.810 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.589 -11.694 -5.222 1.00 0.00 H new ATOM 366 N LEU A 24 -10.015 -13.444 -1.670 1.00 0.00 N ATOM 367 CA LEU A 24 -8.591 -13.765 -1.430 1.00 0.00 C ATOM 368 C LEU A 24 -7.736 -14.120 -2.653 1.00 0.00 C ATOM 369 O LEU A 24 -6.746 -13.430 -2.874 1.00 0.00 O ATOM 370 CB LEU A 24 -8.490 -14.867 -0.363 1.00 0.00 C ATOM 371 CG LEU A 24 -8.201 -14.403 1.070 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.747 -13.984 1.207 1.00 0.00 C ATOM 373 CD2 LEU A 24 -9.125 -13.261 1.476 1.00 0.00 C ATOM 0 H LEU A 24 -10.485 -13.158 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.155 -12.826 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.426 -15.426 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.705 -15.562 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.389 -15.242 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.557 -13.657 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.101 -14.829 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.538 -13.164 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.897 -12.953 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.979 -12.417 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.161 -13.594 1.421 1.00 0.00 H new ATOM 385 N PRO A 25 -8.033 -15.201 -3.425 1.00 0.00 N ATOM 386 CA PRO A 25 -7.301 -15.527 -4.660 1.00 0.00 C ATOM 387 C PRO A 25 -6.826 -14.295 -5.438 1.00 0.00 C ATOM 388 O PRO A 25 -5.733 -14.287 -6.006 1.00 0.00 O ATOM 389 CB PRO A 25 -8.362 -16.269 -5.453 1.00 0.00 C ATOM 390 CG PRO A 25 -9.108 -17.044 -4.422 1.00 0.00 C ATOM 391 CD PRO A 25 -9.081 -16.217 -3.163 1.00 0.00 C ATOM 0 HA PRO A 25 -6.384 -16.082 -4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.017 -15.579 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.916 -16.925 -6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.133 -17.229 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.645 -18.017 -4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.048 -15.753 -2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.839 -16.825 -2.291 1.00 0.00 H new ATOM 399 N ASP A 26 -7.655 -13.262 -5.445 1.00 0.00 N ATOM 400 CA ASP A 26 -7.349 -12.027 -6.147 1.00 0.00 C ATOM 401 C ASP A 26 -7.166 -10.864 -5.190 1.00 0.00 C ATOM 402 O ASP A 26 -6.515 -9.873 -5.525 1.00 0.00 O ATOM 403 CB ASP A 26 -8.496 -11.693 -7.069 1.00 0.00 C ATOM 404 CG ASP A 26 -8.113 -11.735 -8.531 1.00 0.00 C ATOM 405 OD1 ASP A 26 -8.002 -12.842 -9.091 1.00 0.00 O ATOM 406 OD2 ASP A 26 -7.935 -10.656 -9.132 1.00 0.00 O ATOM 0 H ASP A 26 -8.555 -13.257 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.420 -12.178 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.312 -12.394 -6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.872 -10.699 -6.826 1.00 0.00 H new ATOM 411 N TYR A 27 -7.765 -10.992 -4.008 1.00 0.00 N ATOM 412 CA TYR A 27 -7.901 -9.880 -3.074 1.00 0.00 C ATOM 413 C TYR A 27 -8.798 -8.824 -3.681 1.00 0.00 C ATOM 414 O TYR A 27 -8.422 -7.669 -3.863 1.00 0.00 O ATOM 415 CB TYR A 27 -6.564 -9.272 -2.672 1.00 0.00 C ATOM 416 CG TYR A 27 -5.786 -10.115 -1.698 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.099 -10.102 -0.348 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.739 -10.911 -2.122 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.383 -10.858 0.555 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.017 -11.673 -1.226 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.342 -11.641 0.114 1.00 0.00 C ATOM 422 OH TYR A 27 -3.626 -12.397 1.017 1.00 0.00 O ATOM 0 H TYR A 27 -8.168 -11.867 -3.673 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.346 -10.274 -2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.961 -9.117 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.739 -8.291 -2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.917 -9.490 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.482 -10.937 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.638 -10.836 1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.202 -12.291 -1.572 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.926 -12.894 0.545 1.00 0.00 H new ATOM 432 N ILE A 28 -9.983 -9.269 -4.005 1.00 0.00 N ATOM 433 CA ILE A 28 -11.034 -8.422 -4.541 1.00 0.00 C ATOM 434 C ILE A 28 -12.076 -8.178 -3.478 1.00 0.00 C ATOM 435 O ILE A 28 -12.182 -8.936 -2.519 1.00 0.00 O ATOM 436 CB ILE A 28 -11.742 -9.089 -5.736 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.515 -10.603 -5.668 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.246 -8.501 -7.043 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.433 -11.432 -6.533 1.00 0.00 C ATOM 0 H ILE A 28 -10.257 -10.246 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.569 -7.491 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.814 -8.897 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.485 -10.813 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.629 -10.925 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.757 -8.984 -7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.452 -7.431 -7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.172 -8.665 -7.132 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.191 -12.488 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.467 -11.261 -6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.305 -11.147 -7.577 1.00 0.00 H new ATOM 451 N CYS A 29 -12.881 -7.171 -3.689 1.00 0.00 N ATOM 452 CA CYS A 29 -13.975 -6.876 -2.799 1.00 0.00 C ATOM 453 C CYS A 29 -15.217 -7.548 -3.366 1.00 0.00 C ATOM 454 O CYS A 29 -15.367 -7.666 -4.569 1.00 0.00 O ATOM 455 CB CYS A 29 -14.132 -5.351 -2.707 1.00 0.00 C ATOM 456 SG CYS A 29 -15.744 -4.739 -2.153 1.00 0.00 S ATOM 0 H CYS A 29 -12.798 -6.533 -4.480 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.803 -7.252 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.370 -4.970 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.925 -4.926 -3.689 1.00 0.00 H new ATOM 0 HG CYS A 29 -15.635 -3.495 -1.791 1.00 0.00 H new ATOM 461 N PRO A 30 -16.099 -8.035 -2.509 1.00 0.00 N ATOM 462 CA PRO A 30 -17.273 -8.779 -2.923 1.00 0.00 C ATOM 463 C PRO A 30 -18.358 -7.805 -3.282 1.00 0.00 C ATOM 464 O PRO A 30 -19.309 -8.110 -3.995 1.00 0.00 O ATOM 465 CB PRO A 30 -17.631 -9.551 -1.656 1.00 0.00 C ATOM 466 CG PRO A 30 -17.241 -8.624 -0.552 1.00 0.00 C ATOM 467 CD PRO A 30 -16.062 -7.845 -1.064 1.00 0.00 C ATOM 0 HA PRO A 30 -17.127 -9.426 -3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.694 -9.791 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.089 -10.495 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.065 -7.959 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.981 -9.178 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.138 -6.790 -0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.128 -8.213 -0.639 1.00 0.00 H new ATOM 475 N ARG A 31 -18.173 -6.609 -2.755 1.00 0.00 N ATOM 476 CA ARG A 31 -19.133 -5.543 -2.929 1.00 0.00 C ATOM 477 C ARG A 31 -18.897 -4.691 -4.175 1.00 0.00 C ATOM 478 O ARG A 31 -19.715 -3.838 -4.510 1.00 0.00 O ATOM 479 CB ARG A 31 -19.192 -4.735 -1.699 1.00 0.00 C ATOM 480 CG ARG A 31 -19.754 -5.612 -0.633 1.00 0.00 C ATOM 481 CD ARG A 31 -20.026 -4.878 0.637 1.00 0.00 C ATOM 482 NE ARG A 31 -21.357 -4.272 0.661 1.00 0.00 N ATOM 483 CZ ARG A 31 -22.222 -4.404 1.673 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.931 -5.187 2.711 1.00 0.00 N ATOM 485 NH2 ARG A 31 -23.385 -3.765 1.642 1.00 0.00 N ATOM 0 H ARG A 31 -17.357 -6.353 -2.198 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.105 -6.003 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.200 -4.379 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.818 -3.854 -1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.679 -6.064 -0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.057 -6.426 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -19.928 -5.565 1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -19.274 -4.100 0.771 1.00 0.00 H new ATOM 0 HE ARG A 31 -21.643 -3.714 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.044 -5.690 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.595 -5.283 3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -23.620 -3.172 0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -24.043 -3.867 2.414 1.00 0.00 H new ATOM 499 N CYS A 32 -17.771 -4.909 -4.857 1.00 0.00 N ATOM 500 CA CYS A 32 -17.510 -4.213 -6.122 1.00 0.00 C ATOM 501 C CYS A 32 -16.406 -4.881 -6.961 1.00 0.00 C ATOM 502 O CYS A 32 -16.177 -4.490 -8.108 1.00 0.00 O ATOM 503 CB CYS A 32 -17.170 -2.735 -5.880 1.00 0.00 C ATOM 504 SG CYS A 32 -15.588 -2.445 -5.058 1.00 0.00 S ATOM 0 H CYS A 32 -17.035 -5.551 -4.562 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.433 -4.279 -6.698 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -17.166 -2.216 -6.839 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.962 -2.288 -5.280 1.00 0.00 H new ATOM 0 HG CYS A 32 -15.513 -3.181 -3.989 1.00 0.00 H new ATOM 509 N GLU A 33 -15.715 -5.875 -6.382 1.00 0.00 N ATOM 510 CA GLU A 33 -14.705 -6.662 -7.093 1.00 0.00 C ATOM 511 C GLU A 33 -13.535 -5.805 -7.568 1.00 0.00 C ATOM 512 O GLU A 33 -12.884 -6.114 -8.563 1.00 0.00 O ATOM 513 CB GLU A 33 -15.329 -7.434 -8.251 1.00 0.00 C ATOM 514 CG GLU A 33 -14.516 -8.647 -8.655 1.00 0.00 C ATOM 515 CD GLU A 33 -14.989 -9.265 -9.949 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.537 -8.819 -11.024 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.811 -10.202 -9.896 1.00 0.00 O ATOM 0 H GLU A 33 -15.843 -6.153 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.301 -7.383 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.333 -7.753 -7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.434 -6.770 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.469 -8.360 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.566 -9.393 -7.862 1.00 0.00 H new ATOM 524 N SER A 34 -13.272 -4.727 -6.853 1.00 0.00 N ATOM 525 CA SER A 34 -12.039 -3.993 -7.047 1.00 0.00 C ATOM 526 C SER A 34 -11.067 -4.407 -5.954 1.00 0.00 C ATOM 527 O SER A 34 -11.493 -4.793 -4.860 1.00 0.00 O ATOM 528 CB SER A 34 -12.290 -2.481 -7.019 1.00 0.00 C ATOM 529 OG SER A 34 -12.845 -2.069 -5.780 1.00 0.00 O ATOM 0 H SER A 34 -13.891 -4.344 -6.139 1.00 0.00 H new ATOM 0 HA SER A 34 -11.617 -4.225 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.353 -1.952 -7.193 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.965 -2.208 -7.830 1.00 0.00 H new ATOM 0 HG SER A 34 -13.801 -2.285 -5.762 1.00 0.00 H new ATOM 535 N GLY A 35 -9.778 -4.353 -6.240 1.00 0.00 N ATOM 536 CA GLY A 35 -8.794 -4.798 -5.273 1.00 0.00 C ATOM 537 C GLY A 35 -8.391 -3.706 -4.304 1.00 0.00 C ATOM 538 O GLY A 35 -7.294 -3.729 -3.748 1.00 0.00 O ATOM 0 H GLY A 35 -9.394 -4.011 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.196 -5.643 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.909 -5.156 -5.800 1.00 0.00 H new ATOM 542 N PHE A 36 -9.280 -2.748 -4.095 1.00 0.00 N ATOM 543 CA PHE A 36 -9.026 -1.660 -3.165 1.00 0.00 C ATOM 544 C PHE A 36 -9.500 -2.032 -1.763 1.00 0.00 C ATOM 545 O PHE A 36 -10.212 -1.266 -1.106 1.00 0.00 O ATOM 546 CB PHE A 36 -9.724 -0.382 -3.618 1.00 0.00 C ATOM 547 CG PHE A 36 -9.122 0.267 -4.835 1.00 0.00 C ATOM 548 CD1 PHE A 36 -7.974 1.035 -4.727 1.00 0.00 C ATOM 549 CD2 PHE A 36 -9.718 0.132 -6.077 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.432 1.654 -5.834 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.184 0.754 -7.186 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.039 1.515 -7.065 1.00 0.00 C ATOM 0 H PHE A 36 -10.187 -2.702 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.950 -1.484 -3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.770 -0.609 -3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.709 0.334 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.498 1.150 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.611 -0.467 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.534 2.246 -5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.662 0.646 -8.149 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.619 2.001 -7.933 1.00 0.00 H new ATOM 562 N ILE A 37 -9.105 -3.212 -1.320 1.00 0.00 N ATOM 563 CA ILE A 37 -9.412 -3.676 0.021 1.00 0.00 C ATOM 564 C ILE A 37 -8.165 -3.730 0.857 1.00 0.00 C ATOM 565 O ILE A 37 -7.122 -4.176 0.391 1.00 0.00 O ATOM 566 CB ILE A 37 -9.995 -5.078 0.040 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.267 -6.018 -0.916 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.447 -5.017 -0.259 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.881 -7.398 -0.963 1.00 0.00 C ATOM 0 H ILE A 37 -8.564 -3.874 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.141 -2.967 0.414 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.855 -5.492 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.275 -5.588 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.223 -6.100 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.864 -6.024 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.948 -4.406 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.597 -4.576 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.321 -8.022 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.849 -7.845 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.917 -7.324 -1.294 1.00 0.00 H new ATOM 581 N GLU A 38 -8.274 -3.308 2.085 1.00 0.00 N ATOM 582 CA GLU A 38 -7.180 -3.453 3.004 1.00 0.00 C ATOM 583 C GLU A 38 -7.664 -4.237 4.211 1.00 0.00 C ATOM 584 O GLU A 38 -8.801 -4.066 4.658 1.00 0.00 O ATOM 585 CB GLU A 38 -6.633 -2.075 3.380 1.00 0.00 C ATOM 586 CG GLU A 38 -7.579 -1.249 4.226 1.00 0.00 C ATOM 587 CD GLU A 38 -7.333 0.241 4.094 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.230 0.704 4.451 1.00 0.00 O ATOM 589 OE2 GLU A 38 -8.256 0.961 3.653 1.00 0.00 O ATOM 0 H GLU A 38 -9.106 -2.862 2.472 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.358 -4.005 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.695 -2.202 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.403 -1.525 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.606 -1.470 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.473 -1.539 5.271 1.00 0.00 H new ATOM 596 N GLU A 39 -6.839 -5.159 4.670 1.00 0.00 N ATOM 597 CA GLU A 39 -7.160 -5.962 5.836 1.00 0.00 C ATOM 598 C GLU A 39 -7.160 -5.084 7.083 1.00 0.00 C ATOM 599 O GLU A 39 -6.315 -4.196 7.228 1.00 0.00 O ATOM 600 CB GLU A 39 -6.131 -7.080 5.978 1.00 0.00 C ATOM 601 CG GLU A 39 -6.192 -7.836 7.282 1.00 0.00 C ATOM 602 CD GLU A 39 -4.847 -8.418 7.668 1.00 0.00 C ATOM 603 OE1 GLU A 39 -4.251 -9.151 6.853 1.00 0.00 O ATOM 604 OE2 GLU A 39 -4.365 -8.123 8.782 1.00 0.00 O ATOM 0 H GLU A 39 -5.934 -5.372 4.250 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.151 -6.400 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.267 -7.786 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.134 -6.653 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.538 -7.169 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.924 -8.639 7.201 1.00 0.00 H new ATOM 611 N LEU A 40 -8.106 -5.331 7.972 1.00 0.00 N ATOM 612 CA LEU A 40 -8.255 -4.526 9.172 1.00 0.00 C ATOM 613 C LEU A 40 -7.384 -5.075 10.294 1.00 0.00 C ATOM 614 O LEU A 40 -6.299 -4.504 10.533 1.00 0.00 O ATOM 615 CB LEU A 40 -9.731 -4.469 9.592 1.00 0.00 C ATOM 616 CG LEU A 40 -10.613 -3.469 8.816 1.00 0.00 C ATOM 617 CD1 LEU A 40 -10.026 -3.142 7.452 1.00 0.00 C ATOM 618 CD2 LEU A 40 -12.013 -4.024 8.645 1.00 0.00 C ATOM 619 OXT LEU A 40 -7.764 -6.092 10.909 1.00 0.00 O ATOM 0 H LEU A 40 -8.786 -6.086 7.885 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.923 -3.510 8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.160 -5.465 9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.778 -4.219 10.652 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.652 -2.549 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.676 -2.435 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.037 -2.701 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.944 -4.055 6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.624 -3.308 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.968 -4.962 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.456 -4.202 9.625 1.00 0.00 H new ATOM 855 N MET C 16 16.281 -2.375 -5.994 1.00 0.00 N ATOM 856 CA MET C 16 15.543 -1.700 -7.067 1.00 0.00 C ATOM 857 C MET C 16 14.240 -2.419 -7.419 1.00 0.00 C ATOM 858 O MET C 16 14.233 -3.379 -8.193 1.00 0.00 O ATOM 859 CB MET C 16 16.406 -1.538 -8.323 1.00 0.00 C ATOM 860 CG MET C 16 15.744 -0.692 -9.402 1.00 0.00 C ATOM 861 SD MET C 16 16.768 -0.501 -10.873 1.00 0.00 S ATOM 862 CE MET C 16 16.770 -2.176 -11.508 1.00 0.00 C ATOM 0 HA MET C 16 15.286 -0.712 -6.686 1.00 0.00 H new ATOM 0 HB2 MET C 16 17.357 -1.083 -8.046 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.631 -2.524 -8.731 1.00 0.00 H new ATOM 0 HG2 MET C 16 14.795 -1.149 -9.683 1.00 0.00 H new ATOM 0 HG3 MET C 16 15.515 0.293 -8.995 1.00 0.00 H new ATOM 0 HE1 MET C 16 17.111 -2.172 -12.543 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.440 -2.792 -10.908 1.00 0.00 H new ATOM 0 HE3 MET C 16 15.761 -2.585 -11.460 1.00 0.00 H new ATOM 872 N LEU C 17 13.136 -1.950 -6.849 1.00 0.00 N ATOM 873 CA LEU C 17 11.824 -2.467 -7.218 1.00 0.00 C ATOM 874 C LEU C 17 11.085 -1.452 -8.066 1.00 0.00 C ATOM 875 O LEU C 17 11.009 -0.276 -7.704 1.00 0.00 O ATOM 876 CB LEU C 17 11.002 -2.766 -5.999 1.00 0.00 C ATOM 877 CG LEU C 17 11.770 -3.191 -4.758 1.00 0.00 C ATOM 878 CD1 LEU C 17 10.902 -2.982 -3.543 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.205 -4.643 -4.857 1.00 0.00 C ATOM 0 H LEU C 17 13.122 -1.220 -6.137 1.00 0.00 H new ATOM 0 HA LEU C 17 11.975 -3.387 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.419 -1.879 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.293 -3.555 -6.249 1.00 0.00 H new ATOM 0 HG LEU C 17 12.670 -2.582 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.448 -3.285 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU C 17 10.634 -1.928 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU C 17 9.996 -3.581 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.752 -4.921 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.326 -5.280 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.849 -4.771 -5.727 1.00 0.00 H new ATOM 891 N GLU C 18 10.534 -1.898 -9.180 1.00 0.00 N ATOM 892 CA GLU C 18 9.738 -1.028 -10.015 1.00 0.00 C ATOM 893 C GLU C 18 8.352 -0.972 -9.450 1.00 0.00 C ATOM 894 O GLU C 18 7.533 -1.849 -9.701 1.00 0.00 O ATOM 895 CB GLU C 18 9.712 -1.513 -11.442 1.00 0.00 C ATOM 896 CG GLU C 18 9.030 -0.556 -12.408 1.00 0.00 C ATOM 897 CD GLU C 18 8.950 -1.103 -13.819 1.00 0.00 C ATOM 898 OE1 GLU C 18 9.998 -1.159 -14.495 1.00 0.00 O ATOM 899 OE2 GLU C 18 7.839 -1.472 -14.263 1.00 0.00 O ATOM 0 H GLU C 18 10.624 -2.854 -9.524 1.00 0.00 H new ATOM 0 HA GLU C 18 10.179 -0.031 -10.025 1.00 0.00 H new ATOM 0 HB2 GLU C 18 10.736 -1.682 -11.776 1.00 0.00 H new ATOM 0 HB3 GLU C 18 9.201 -2.475 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU C 18 8.024 -0.341 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU C 18 9.573 0.389 -12.420 1.00 0.00 H new ATOM 906 N VAL C 19 8.084 0.044 -8.663 1.00 0.00 N ATOM 907 CA VAL C 19 6.851 0.101 -7.977 1.00 0.00 C ATOM 908 C VAL C 19 5.811 0.603 -8.934 1.00 0.00 C ATOM 909 O VAL C 19 6.002 1.622 -9.572 1.00 0.00 O ATOM 910 CB VAL C 19 6.961 1.035 -6.779 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.605 1.626 -6.457 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.501 0.314 -5.563 1.00 0.00 C ATOM 0 H VAL C 19 8.711 0.830 -8.494 1.00 0.00 H new ATOM 0 HA VAL C 19 6.577 -0.888 -7.610 1.00 0.00 H new ATOM 0 HB VAL C 19 7.657 1.832 -7.041 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.693 2.293 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.239 2.187 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL C 19 4.905 0.824 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.567 1.010 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL C 19 6.834 -0.507 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.492 -0.081 -5.785 1.00 0.00 H new ATOM 922 N LEU C 20 4.764 -0.136 -9.102 1.00 0.00 N ATOM 923 CA LEU C 20 3.653 0.347 -9.838 1.00 0.00 C ATOM 924 C LEU C 20 2.544 0.554 -8.832 1.00 0.00 C ATOM 925 O LEU C 20 2.490 -0.164 -7.846 1.00 0.00 O ATOM 926 CB LEU C 20 3.272 -0.661 -10.914 1.00 0.00 C ATOM 927 CG LEU C 20 4.355 -1.655 -11.341 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.770 -2.693 -12.284 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.516 -0.948 -12.009 1.00 0.00 C ATOM 0 H LEU C 20 4.659 -1.082 -8.735 1.00 0.00 H new ATOM 0 HA LEU C 20 3.869 1.282 -10.355 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.411 -1.228 -10.559 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.949 -0.110 -11.797 1.00 0.00 H new ATOM 0 HG LEU C 20 4.728 -2.151 -10.445 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.549 -3.395 -12.581 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.969 -3.233 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.372 -2.197 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU C 20 6.269 -1.680 -12.301 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.160 -0.421 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.956 -0.233 -11.313 1.00 0.00 H new ATOM 941 N VAL C 21 1.714 1.559 -9.027 1.00 0.00 N ATOM 942 CA VAL C 21 0.693 1.913 -8.042 1.00 0.00 C ATOM 943 C VAL C 21 -0.547 2.490 -8.740 1.00 0.00 C ATOM 944 O VAL C 21 -0.444 3.426 -9.535 1.00 0.00 O ATOM 945 CB VAL C 21 1.267 2.949 -7.034 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.195 3.537 -6.149 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.352 2.330 -6.171 1.00 0.00 C ATOM 0 H VAL C 21 1.721 2.150 -9.858 1.00 0.00 H new ATOM 0 HA VAL C 21 0.401 1.013 -7.502 1.00 0.00 H new ATOM 0 HB VAL C 21 1.696 3.754 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL C 21 0.643 4.255 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.550 4.041 -6.765 1.00 0.00 H new ATOM 0 HG13 VAL C 21 -0.284 2.741 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL C 21 2.735 3.077 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL C 21 1.937 1.492 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.164 1.976 -6.806 1.00 0.00 H new ATOM 957 N LYS C 22 -1.714 1.927 -8.451 1.00 0.00 N ATOM 958 CA LYS C 22 -2.948 2.367 -9.061 1.00 0.00 C ATOM 959 C LYS C 22 -3.834 3.026 -8.023 1.00 0.00 C ATOM 960 O LYS C 22 -4.098 2.467 -6.959 1.00 0.00 O ATOM 961 CB LYS C 22 -3.717 1.198 -9.680 1.00 0.00 C ATOM 962 CG LYS C 22 -2.934 0.354 -10.669 1.00 0.00 C ATOM 963 CD LYS C 22 -3.863 -0.425 -11.599 1.00 0.00 C ATOM 964 CE LYS C 22 -4.734 -1.427 -10.857 1.00 0.00 C ATOM 965 NZ LYS C 22 -5.632 -2.166 -11.786 1.00 0.00 N ATOM 0 H LYS C 22 -1.824 1.158 -7.790 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.687 3.076 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.070 0.552 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.600 1.592 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.281 0.996 -11.260 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.293 -0.341 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -4.501 0.275 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -3.266 -0.951 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -4.101 -2.135 -10.322 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -5.332 -0.906 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.211 -2.840 -11.246 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -6.253 -1.492 -12.278 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -5.060 -2.683 -12.484 1.00 0.00 H new ATOM 979 N THR C 23 -4.260 4.220 -8.339 1.00 0.00 N ATOM 980 CA THR C 23 -5.240 4.939 -7.554 1.00 0.00 C ATOM 981 C THR C 23 -6.643 4.496 -7.964 1.00 0.00 C ATOM 982 O THR C 23 -6.779 3.640 -8.843 1.00 0.00 O ATOM 983 CB THR C 23 -5.089 6.455 -7.780 1.00 0.00 C ATOM 984 OG1 THR C 23 -5.121 6.740 -9.186 1.00 0.00 O ATOM 985 CG2 THR C 23 -3.785 6.969 -7.194 1.00 0.00 C ATOM 0 H THR C 23 -3.934 4.731 -9.159 1.00 0.00 H new ATOM 0 HA THR C 23 -5.082 4.721 -6.498 1.00 0.00 H new ATOM 0 HB THR C 23 -5.917 6.957 -7.278 1.00 0.00 H new ATOM 0 HG1 THR C 23 -5.026 7.705 -9.326 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.706 8.042 -7.369 1.00 0.00 H new ATOM 0 HG22 THR C 23 -3.766 6.773 -6.122 1.00 0.00 H new ATOM 0 HG23 THR C 23 -2.947 6.461 -7.671 1.00 0.00 H new ATOM 1052 N THR C 28 -2.468 4.314 -12.513 1.00 0.00 N ATOM 1053 CA THR C 28 -1.303 3.447 -12.522 1.00 0.00 C ATOM 1054 C THR C 28 -0.022 4.249 -12.785 1.00 0.00 C ATOM 1055 O THR C 28 0.314 4.545 -13.938 1.00 0.00 O ATOM 1056 CB THR C 28 -1.424 2.374 -13.601 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.569 1.550 -13.369 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.157 1.536 -13.654 1.00 0.00 C ATOM 0 HA THR C 28 -1.251 2.977 -11.540 1.00 0.00 H new ATOM 0 HB THR C 28 -1.553 2.865 -14.565 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.236 2.053 -12.857 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.256 0.775 -14.428 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.694 2.177 -13.883 1.00 0.00 H new ATOM 0 HG23 THR C 28 0.001 1.054 -12.689 1.00 0.00 H new ATOM 1066 N ARG C 29 0.693 4.604 -11.734 1.00 0.00 N ATOM 1067 CA ARG C 29 1.964 5.285 -11.905 1.00 0.00 C ATOM 1068 C ARG C 29 3.071 4.494 -11.229 1.00 0.00 C ATOM 1069 O ARG C 29 2.820 3.779 -10.263 1.00 0.00 O ATOM 1070 CB ARG C 29 1.929 6.698 -11.335 1.00 0.00 C ATOM 1071 CG ARG C 29 0.840 7.594 -11.884 1.00 0.00 C ATOM 1072 CD ARG C 29 1.030 9.034 -11.422 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.080 9.903 -11.819 1.00 0.00 N ATOM 1074 CZ ARG C 29 0.054 11.184 -12.170 1.00 0.00 C ATOM 1075 NH1 ARG C 29 1.255 11.752 -12.208 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.021 11.896 -12.487 1.00 0.00 N ATOM 0 H ARG C 29 0.421 4.436 -10.765 1.00 0.00 H new ATOM 0 HA ARG C 29 2.158 5.356 -12.975 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.811 6.632 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.893 7.171 -11.522 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.847 7.554 -12.973 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.134 7.230 -11.558 1.00 0.00 H new ATOM 0 HD2 ARG C 29 1.132 9.053 -10.337 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.959 9.425 -11.836 1.00 0.00 H new ATOM 0 HE ARG C 29 -1.018 9.503 -11.828 1.00 0.00 H new ATOM 0 HH11 ARG C 29 2.084 11.208 -11.968 1.00 0.00 H new ATOM 0 HH12 ARG C 29 1.348 12.731 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -1.945 11.464 -12.462 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -0.923 12.875 -12.756 1.00 0.00 H new ATOM 1090 N THR C 30 4.287 4.618 -11.736 1.00 0.00 N ATOM 1091 CA THR C 30 5.396 3.874 -11.245 1.00 0.00 C ATOM 1092 C THR C 30 6.257 4.687 -10.283 1.00 0.00 C ATOM 1093 O THR C 30 6.519 5.870 -10.509 1.00 0.00 O ATOM 1094 CB THR C 30 6.228 3.439 -12.426 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.316 4.500 -13.386 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.645 2.202 -13.067 1.00 0.00 C ATOM 0 H THR C 30 4.516 5.247 -12.505 1.00 0.00 H new ATOM 0 HA THR C 30 5.020 3.016 -10.689 1.00 0.00 H new ATOM 0 HB THR C 30 7.230 3.200 -12.070 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.859 4.208 -14.147 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.262 1.907 -13.916 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.620 1.392 -12.338 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.632 2.413 -13.410 1.00 0.00 H new ATOM 1104 N PHE C 31 6.716 4.027 -9.230 1.00 0.00 N ATOM 1105 CA PHE C 31 7.399 4.678 -8.134 1.00 0.00 C ATOM 1106 C PHE C 31 8.612 3.886 -7.711 1.00 0.00 C ATOM 1107 O PHE C 31 8.703 3.429 -6.575 1.00 0.00 O ATOM 1108 CB PHE C 31 6.453 4.778 -6.965 1.00 0.00 C ATOM 1109 CG PHE C 31 5.261 5.606 -7.242 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.404 6.799 -7.902 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.006 5.206 -6.828 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.312 7.592 -8.157 1.00 0.00 C ATOM 1113 CE2 PHE C 31 2.909 5.987 -7.080 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.055 7.187 -7.747 1.00 0.00 C ATOM 0 H PHE C 31 6.622 3.018 -9.116 1.00 0.00 H new ATOM 0 HA PHE C 31 7.722 5.667 -8.459 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.132 3.776 -6.681 1.00 0.00 H new ATOM 0 HB3 PHE C 31 6.986 5.196 -6.111 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.384 7.118 -8.224 1.00 0.00 H new ATOM 0 HD2 PHE C 31 3.888 4.270 -6.302 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.435 8.531 -8.677 1.00 0.00 H new ATOM 0 HE2 PHE C 31 1.930 5.664 -6.757 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.193 7.806 -7.947 1.00 0.00 H new ATOM 1124 N ILE C 32 9.532 3.719 -8.626 1.00 0.00 N ATOM 1125 CA ILE C 32 10.659 2.847 -8.411 1.00 0.00 C ATOM 1126 C ILE C 32 11.488 3.195 -7.213 1.00 0.00 C ATOM 1127 O ILE C 32 11.929 4.326 -7.011 1.00 0.00 O ATOM 1128 CB ILE C 32 11.522 2.756 -9.649 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.690 2.152 -10.683 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.692 1.852 -9.428 1.00 0.00 C ATOM 1131 CD1 ILE C 32 10.123 3.087 -11.712 1.00 0.00 C ATOM 0 H ILE C 32 9.522 4.180 -9.536 1.00 0.00 H new ATOM 0 HA ILE C 32 10.228 1.868 -8.199 1.00 0.00 H new ATOM 0 HB ILE C 32 11.892 3.746 -9.915 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.281 1.394 -11.198 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.862 1.635 -10.197 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.294 1.807 -10.336 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.299 2.237 -8.609 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.337 0.852 -9.178 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.524 2.522 -12.426 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.496 3.832 -11.221 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.937 3.587 -12.237 1.00 0.00 H new ATOM 1143 N VAL C 33 11.685 2.165 -6.438 1.00 0.00 N ATOM 1144 CA VAL C 33 12.437 2.244 -5.200 1.00 0.00 C ATOM 1145 C VAL C 33 13.598 1.282 -5.195 1.00 0.00 C ATOM 1146 O VAL C 33 13.926 0.677 -6.210 1.00 0.00 O ATOM 1147 CB VAL C 33 11.546 1.954 -3.987 1.00 0.00 C ATOM 1148 CG1 VAL C 33 10.600 3.098 -3.797 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.788 0.647 -4.160 1.00 0.00 C ATOM 0 H VAL C 33 11.327 1.232 -6.644 1.00 0.00 H new ATOM 0 HA VAL C 33 12.818 3.263 -5.132 1.00 0.00 H new ATOM 0 HB VAL C 33 12.171 1.847 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL C 33 9.961 2.902 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.166 4.014 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL C 33 9.983 3.212 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.165 0.469 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.158 0.707 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.497 -0.173 -4.273 1.00 0.00 H new ATOM 1159 N GLY C 34 14.209 1.136 -4.038 1.00 0.00 N ATOM 1160 CA GLY C 34 15.404 0.318 -3.950 1.00 0.00 C ATOM 1161 C GLY C 34 15.331 -0.778 -2.903 1.00 0.00 C ATOM 1162 O GLY C 34 16.328 -1.107 -2.272 1.00 0.00 O ATOM 0 H GLY C 34 13.908 1.562 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.592 -0.136 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.256 0.961 -3.728 1.00 0.00 H new ATOM 1166 N ALA C 35 14.134 -1.311 -2.711 1.00 0.00 N ATOM 1167 CA ALA C 35 13.908 -2.547 -1.947 1.00 0.00 C ATOM 1168 C ALA C 35 14.229 -2.467 -0.474 1.00 0.00 C ATOM 1169 O ALA C 35 14.313 -3.506 0.176 1.00 0.00 O ATOM 1170 CB ALA C 35 14.683 -3.713 -2.542 1.00 0.00 C ATOM 0 H ALA C 35 13.277 -0.900 -3.082 1.00 0.00 H new ATOM 0 HA ALA C 35 12.832 -2.703 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.495 -4.612 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.361 -3.877 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.749 -3.486 -2.528 1.00 0.00 H new ATOM 1176 N GLN C 36 14.312 -1.262 0.058 1.00 0.00 N ATOM 1177 CA GLN C 36 14.889 -1.052 1.391 1.00 0.00 C ATOM 1178 C GLN C 36 15.354 0.375 1.509 1.00 0.00 C ATOM 1179 O GLN C 36 15.699 0.859 2.589 1.00 0.00 O ATOM 1180 CB GLN C 36 16.070 -2.009 1.569 1.00 0.00 C ATOM 1181 CG GLN C 36 16.694 -2.090 2.934 1.00 0.00 C ATOM 1182 CD GLN C 36 17.746 -3.170 2.920 1.00 0.00 C ATOM 1183 OE1 GLN C 36 18.332 -3.371 1.742 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 18.015 -3.824 3.927 1.00 0.00 N flip ATOM 0 H GLN C 36 13.991 -0.411 -0.403 1.00 0.00 H new ATOM 0 HA GLN C 36 14.145 -1.246 2.163 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.738 -3.009 1.290 1.00 0.00 H new ATOM 0 HB3 GLN C 36 16.846 -1.722 0.860 1.00 0.00 H new ATOM 0 HG2 GLN C 36 17.139 -1.132 3.204 1.00 0.00 H new ATOM 0 HG3 GLN C 36 15.935 -2.311 3.684 1.00 0.00 H new ATOM 0 HE21 GLN C 36 17.535 -3.628 4.806 1.00 0.00 H new ATOM 0 HE22 GLN C 36 18.718 -4.562 3.883 1.00 0.00 H new ATOM 1193 N MET C 37 15.377 1.025 0.362 1.00 0.00 N ATOM 1194 CA MET C 37 15.674 2.431 0.266 1.00 0.00 C ATOM 1195 C MET C 37 14.919 3.247 1.322 1.00 0.00 C ATOM 1196 O MET C 37 15.509 3.703 2.298 1.00 0.00 O ATOM 1197 CB MET C 37 15.322 2.874 -1.127 1.00 0.00 C ATOM 1198 CG MET C 37 15.388 4.360 -1.363 1.00 0.00 C ATOM 1199 SD MET C 37 17.053 5.036 -1.228 1.00 0.00 S ATOM 1200 CE MET C 37 16.739 6.766 -1.586 1.00 0.00 C ATOM 0 H MET C 37 15.187 0.582 -0.537 1.00 0.00 H new ATOM 0 HA MET C 37 16.733 2.601 0.460 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.994 2.381 -1.829 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.313 2.530 -1.356 1.00 0.00 H new ATOM 0 HG2 MET C 37 14.994 4.580 -2.355 1.00 0.00 H new ATOM 0 HG3 MET C 37 14.741 4.863 -0.645 1.00 0.00 H new ATOM 0 HE1 MET C 37 17.583 7.183 -2.136 1.00 0.00 H new ATOM 0 HE2 MET C 37 15.834 6.855 -2.187 1.00 0.00 H new ATOM 0 HE3 MET C 37 16.609 7.313 -0.652 1.00 0.00 H new ATOM 1210 N ASN C 38 13.618 3.424 1.133 1.00 0.00 N ATOM 1211 CA ASN C 38 12.812 4.184 2.059 1.00 0.00 C ATOM 1212 C ASN C 38 11.453 3.579 2.267 1.00 0.00 C ATOM 1213 O ASN C 38 11.273 2.746 3.141 1.00 0.00 O ATOM 1214 CB ASN C 38 12.651 5.596 1.538 1.00 0.00 C ATOM 1215 CG ASN C 38 13.887 6.433 1.723 1.00 0.00 C ATOM 1216 OD1 ASN C 38 14.564 6.354 2.744 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.202 7.221 0.719 1.00 0.00 N ATOM 0 H ASN C 38 13.102 3.046 0.339 1.00 0.00 H new ATOM 0 HA ASN C 38 13.326 4.180 3.020 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.398 5.560 0.478 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.815 6.073 2.049 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.040 7.800 0.769 1.00 0.00 H new ATOM 0 HD22 ASN C 38 13.608 7.253 -0.110 1.00 0.00 H new ATOM 1224 N VAL C 39 10.538 3.995 1.408 1.00 0.00 N ATOM 1225 CA VAL C 39 9.097 3.828 1.564 1.00 0.00 C ATOM 1226 C VAL C 39 8.473 5.035 2.236 1.00 0.00 C ATOM 1227 O VAL C 39 7.340 5.392 1.956 1.00 0.00 O ATOM 1228 CB VAL C 39 8.632 2.545 2.248 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.480 2.800 3.699 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.315 2.113 1.651 1.00 0.00 C ATOM 0 H VAL C 39 10.786 4.479 0.545 1.00 0.00 H new ATOM 0 HA VAL C 39 8.742 3.736 0.538 1.00 0.00 H new ATOM 0 HB VAL C 39 9.365 1.752 2.099 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.148 1.888 4.196 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.438 3.112 4.116 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.742 3.587 3.855 1.00 0.00 H new ATOM 0 HG21 VAL C 39 6.979 1.197 2.136 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.573 2.897 1.801 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.441 1.933 0.583 1.00 0.00 H new ATOM 1240 N LYS C 40 9.232 5.682 3.084 1.00 0.00 N ATOM 1241 CA LYS C 40 8.779 6.843 3.780 1.00 0.00 C ATOM 1242 C LYS C 40 8.829 8.018 2.848 1.00 0.00 C ATOM 1243 O LYS C 40 7.814 8.586 2.449 1.00 0.00 O ATOM 1244 CB LYS C 40 9.695 7.086 4.969 1.00 0.00 C ATOM 1245 CG LYS C 40 10.173 5.826 5.635 1.00 0.00 C ATOM 1246 CD LYS C 40 11.607 5.490 5.246 1.00 0.00 C ATOM 1247 CE LYS C 40 12.594 5.828 6.355 1.00 0.00 C ATOM 1248 NZ LYS C 40 12.590 7.273 6.708 1.00 0.00 N ATOM 0 H LYS C 40 10.189 5.409 3.307 1.00 0.00 H new ATOM 0 HA LYS C 40 7.756 6.704 4.131 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.560 7.661 4.638 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.168 7.696 5.703 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.107 5.939 6.717 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.518 4.999 5.360 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.679 4.429 5.008 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.875 6.038 4.343 1.00 0.00 H new ATOM 0 HE2 LYS C 40 12.353 5.241 7.241 1.00 0.00 H new ATOM 0 HE3 LYS C 40 13.597 5.537 6.044 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.326 7.459 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.780 7.839 5.856 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 11.661 7.533 7.096 1.00 0.00 H new ATOM 1262 N GLU C 41 10.046 8.351 2.509 1.00 0.00 N ATOM 1263 CA GLU C 41 10.340 9.354 1.531 1.00 0.00 C ATOM 1264 C GLU C 41 9.786 8.981 0.153 1.00 0.00 C ATOM 1265 O GLU C 41 9.472 9.855 -0.647 1.00 0.00 O ATOM 1266 CB GLU C 41 11.838 9.553 1.494 1.00 0.00 C ATOM 1267 CG GLU C 41 12.356 10.284 2.717 1.00 0.00 C ATOM 1268 CD GLU C 41 13.817 10.661 2.612 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.681 9.796 2.849 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.113 11.832 2.289 1.00 0.00 O ATOM 0 H GLU C 41 10.876 7.921 2.917 1.00 0.00 H new ATOM 0 HA GLU C 41 9.853 10.289 1.808 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.329 8.583 1.420 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.105 10.115 0.599 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.765 11.187 2.870 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.212 9.656 3.596 1.00 0.00 H new ATOM 1277 N PHE C 42 9.670 7.680 -0.113 1.00 0.00 N ATOM 1278 CA PHE C 42 9.006 7.183 -1.293 1.00 0.00 C ATOM 1279 C PHE C 42 7.572 7.713 -1.323 1.00 0.00 C ATOM 1280 O PHE C 42 7.148 8.347 -2.291 1.00 0.00 O ATOM 1281 CB PHE C 42 9.086 5.654 -1.205 1.00 0.00 C ATOM 1282 CG PHE C 42 8.126 4.833 -2.028 1.00 0.00 C ATOM 1283 CD1 PHE C 42 7.305 5.389 -2.982 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.048 3.474 -1.799 1.00 0.00 C ATOM 1285 CE1 PHE C 42 6.422 4.604 -3.700 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.169 2.684 -2.501 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.356 3.248 -3.454 1.00 0.00 C ATOM 0 H PHE C 42 10.039 6.948 0.493 1.00 0.00 H new ATOM 0 HA PHE C 42 9.468 7.515 -2.223 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.098 5.359 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE C 42 8.949 5.375 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE C 42 7.351 6.451 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE C 42 8.689 3.024 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE C 42 5.786 5.050 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.118 1.623 -2.304 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.666 2.631 -4.010 1.00 0.00 H new ATOM 1297 N LYS C 43 6.852 7.502 -0.234 1.00 0.00 N ATOM 1298 CA LYS C 43 5.476 7.942 -0.142 1.00 0.00 C ATOM 1299 C LYS C 43 5.386 9.463 -0.135 1.00 0.00 C ATOM 1300 O LYS C 43 4.508 10.046 -0.773 1.00 0.00 O ATOM 1301 CB LYS C 43 4.824 7.365 1.105 1.00 0.00 C ATOM 1302 CG LYS C 43 4.564 5.869 1.017 1.00 0.00 C ATOM 1303 CD LYS C 43 4.210 5.278 2.375 1.00 0.00 C ATOM 1304 CE LYS C 43 3.056 6.019 3.028 1.00 0.00 C ATOM 1305 NZ LYS C 43 1.834 5.996 2.187 1.00 0.00 N ATOM 0 H LYS C 43 7.201 7.027 0.599 1.00 0.00 H new ATOM 0 HA LYS C 43 4.942 7.579 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.463 7.565 1.965 1.00 0.00 H new ATOM 0 HB3 LYS C 43 3.880 7.880 1.283 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.751 5.682 0.315 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.448 5.369 0.622 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.947 4.227 2.257 1.00 0.00 H new ATOM 0 HD3 LYS C 43 5.083 5.317 3.027 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.838 5.569 3.997 1.00 0.00 H new ATOM 0 HE3 LYS C 43 3.348 7.052 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.052 6.453 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 2.014 6.508 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 1.578 5.011 1.973 1.00 0.00 H new ATOM 1319 N GLU C 44 6.296 10.096 0.595 1.00 0.00 N ATOM 1320 CA GLU C 44 6.386 11.536 0.653 1.00 0.00 C ATOM 1321 C GLU C 44 6.647 12.126 -0.733 1.00 0.00 C ATOM 1322 O GLU C 44 6.176 13.214 -1.056 1.00 0.00 O ATOM 1323 CB GLU C 44 7.508 11.918 1.611 1.00 0.00 C ATOM 1324 CG GLU C 44 7.321 13.275 2.231 1.00 0.00 C ATOM 1325 CD GLU C 44 8.427 13.642 3.196 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.520 14.028 2.736 1.00 0.00 O ATOM 1327 OE2 GLU C 44 8.205 13.563 4.423 1.00 0.00 O ATOM 0 H GLU C 44 6.993 9.615 1.164 1.00 0.00 H new ATOM 0 HA GLU C 44 5.439 11.940 1.010 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.572 11.170 2.401 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.457 11.898 1.075 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.271 14.025 1.442 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.366 13.300 2.755 1.00 0.00 H new ATOM 1334 N HIS C 45 7.414 11.405 -1.541 1.00 0.00 N ATOM 1335 CA HIS C 45 7.722 11.835 -2.900 1.00 0.00 C ATOM 1336 C HIS C 45 6.499 11.766 -3.800 1.00 0.00 C ATOM 1337 O HIS C 45 6.191 12.719 -4.517 1.00 0.00 O ATOM 1338 CB HIS C 45 8.839 10.981 -3.496 1.00 0.00 C ATOM 1339 CG HIS C 45 10.162 11.670 -3.521 1.00 0.00 C ATOM 1340 ND1 HIS C 45 10.684 12.243 -4.660 1.00 0.00 N ATOM 1341 CD2 HIS C 45 11.073 11.880 -2.543 1.00 0.00 C ATOM 1342 CE1 HIS C 45 11.858 12.775 -4.382 1.00 0.00 C ATOM 1343 NE2 HIS C 45 12.115 12.570 -3.105 1.00 0.00 N ATOM 0 H HIS C 45 7.836 10.515 -1.277 1.00 0.00 H new ATOM 0 HA HIS C 45 8.050 12.873 -2.842 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.928 10.060 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.566 10.697 -4.512 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.994 11.563 -1.513 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.500 13.291 -5.081 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.955 12.876 -2.614 1.00 0.00 H new ATOM 1352 N ILE C 46 5.802 10.639 -3.755 1.00 0.00 N ATOM 1353 CA ILE C 46 4.668 10.406 -4.632 1.00 0.00 C ATOM 1354 C ILE C 46 3.447 11.207 -4.185 1.00 0.00 C ATOM 1355 O ILE C 46 2.458 11.296 -4.912 1.00 0.00 O ATOM 1356 CB ILE C 46 4.311 8.910 -4.687 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.667 8.439 -3.387 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.557 8.089 -4.955 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.069 7.052 -3.483 1.00 0.00 C ATOM 0 H ILE C 46 6.005 9.870 -3.117 1.00 0.00 H new ATOM 0 HA ILE C 46 4.958 10.738 -5.629 1.00 0.00 H new ATOM 0 HB ILE C 46 3.593 8.772 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.415 8.450 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.887 9.144 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.295 7.032 -4.992 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.992 8.389 -5.908 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.281 8.255 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.628 6.779 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.298 7.041 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.850 6.336 -3.740 1.00 0.00 H new ATOM 1371 N ALA C 47 3.538 11.793 -2.988 1.00 0.00 N ATOM 1372 CA ALA C 47 2.456 12.566 -2.395 1.00 0.00 C ATOM 1373 C ALA C 47 1.829 13.559 -3.371 1.00 0.00 C ATOM 1374 O ALA C 47 0.618 13.727 -3.390 1.00 0.00 O ATOM 1375 CB ALA C 47 2.963 13.300 -1.166 1.00 0.00 C ATOM 0 H ALA C 47 4.372 11.741 -2.403 1.00 0.00 H new ATOM 0 HA ALA C 47 1.674 11.859 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA C 47 2.150 13.877 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.332 12.578 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.772 13.972 -1.452 1.00 0.00 H new ATOM 1381 N ALA C 48 2.643 14.219 -4.174 1.00 0.00 N ATOM 1382 CA ALA C 48 2.128 15.213 -5.106 1.00 0.00 C ATOM 1383 C ALA C 48 1.524 14.575 -6.346 1.00 0.00 C ATOM 1384 O ALA C 48 0.431 14.949 -6.773 1.00 0.00 O ATOM 1385 CB ALA C 48 3.215 16.170 -5.512 1.00 0.00 C ATOM 0 H ALA C 48 3.654 14.089 -4.203 1.00 0.00 H new ATOM 0 HA ALA C 48 1.338 15.755 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA C 48 2.811 16.905 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA C 48 3.599 16.680 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA C 48 4.023 15.620 -5.994 1.00 0.00 H new ATOM 1391 N SER C 49 2.234 13.609 -6.915 1.00 0.00 N ATOM 1392 CA SER C 49 1.815 12.981 -8.155 1.00 0.00 C ATOM 1393 C SER C 49 0.458 12.314 -7.990 1.00 0.00 C ATOM 1394 O SER C 49 -0.357 12.293 -8.913 1.00 0.00 O ATOM 1395 CB SER C 49 2.868 11.971 -8.595 1.00 0.00 C ATOM 1396 OG SER C 49 3.890 11.846 -7.616 1.00 0.00 O ATOM 0 H SER C 49 3.106 13.244 -6.533 1.00 0.00 H new ATOM 0 HA SER C 49 1.715 13.745 -8.925 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.400 11.001 -8.764 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.304 12.284 -9.544 1.00 0.00 H new ATOM 0 HG SER C 49 4.503 12.607 -7.684 1.00 0.00 H new ATOM 1402 N VAL C 50 0.213 11.786 -6.803 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.064 11.171 -6.504 1.00 0.00 C ATOM 1404 C VAL C 50 -1.961 12.120 -5.717 1.00 0.00 C ATOM 1405 O VAL C 50 -3.137 11.825 -5.497 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.885 9.845 -5.741 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.050 8.881 -6.570 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.246 10.074 -4.380 1.00 0.00 C ATOM 0 H VAL C 50 0.882 11.772 -6.033 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.548 10.951 -7.456 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.870 9.409 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.073 7.945 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.553 8.686 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.929 9.320 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.133 9.120 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.733 10.534 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.880 10.733 -3.787 1.00 0.00 H new ATOM 1418 N SER C 51 -1.394 13.262 -5.288 1.00 0.00 N ATOM 1419 CA SER C 51 -2.152 14.294 -4.592 1.00 0.00 C ATOM 1420 C SER C 51 -2.564 13.791 -3.218 1.00 0.00 C ATOM 1421 O SER C 51 -3.483 14.314 -2.582 1.00 0.00 O ATOM 1422 CB SER C 51 -3.362 14.724 -5.420 1.00 0.00 C ATOM 1423 OG SER C 51 -2.957 15.160 -6.712 1.00 0.00 O ATOM 0 H SER C 51 -0.407 13.485 -5.417 1.00 0.00 H new ATOM 0 HA SER C 51 -1.522 15.173 -4.458 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.059 13.892 -5.514 1.00 0.00 H new ATOM 0 HB3 SER C 51 -3.892 15.528 -4.909 1.00 0.00 H new ATOM 0 HG SER C 51 -3.745 15.430 -7.228 1.00 0.00 H new ATOM 1429 N ILE C 52 -1.848 12.774 -2.765 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.096 12.179 -1.477 1.00 0.00 C ATOM 1431 C ILE C 52 -0.836 12.212 -0.615 1.00 0.00 C ATOM 1432 O ILE C 52 0.127 11.500 -0.900 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.556 10.712 -1.601 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.792 10.582 -2.490 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.857 10.164 -0.219 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.079 10.882 -1.758 1.00 0.00 C ATOM 0 H ILE C 52 -1.082 12.344 -3.284 1.00 0.00 H new ATOM 0 HA ILE C 52 -2.889 12.765 -1.012 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.753 10.140 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.696 11.260 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.837 9.571 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.183 9.127 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -1.958 10.214 0.396 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.647 10.756 0.243 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -5.921 10.773 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.195 10.187 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.051 11.903 -1.377 1.00 0.00 H new ATOM 1448 N PRO C 53 -0.827 13.023 0.454 1.00 0.00 N ATOM 1449 CA PRO C 53 0.311 13.105 1.374 1.00 0.00 C ATOM 1450 C PRO C 53 0.513 11.814 2.139 1.00 0.00 C ATOM 1451 O PRO C 53 -0.448 11.164 2.537 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.061 14.202 2.342 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.246 14.899 1.757 1.00 0.00 C ATOM 1454 CD PRO C 53 -1.926 13.901 0.865 1.00 0.00 C ATOM 0 HA PRO C 53 1.238 13.295 0.833 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.298 13.790 3.323 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.768 14.896 2.480 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -1.921 15.243 2.541 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -0.939 15.779 1.192 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -2.705 13.352 1.394 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -2.400 14.382 0.009 1.00 0.00 H new ATOM 1462 N SER C 54 1.782 11.480 2.359 1.00 0.00 N ATOM 1463 CA SER C 54 2.196 10.206 2.944 1.00 0.00 C ATOM 1464 C SER C 54 1.460 9.883 4.244 1.00 0.00 C ATOM 1465 O SER C 54 1.265 8.710 4.565 1.00 0.00 O ATOM 1466 CB SER C 54 3.710 10.211 3.188 1.00 0.00 C ATOM 1467 OG SER C 54 4.156 8.966 3.696 1.00 0.00 O ATOM 0 H SER C 54 2.564 12.095 2.133 1.00 0.00 H new ATOM 0 HA SER C 54 1.935 9.427 2.228 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.230 10.432 2.256 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.964 11.005 3.891 1.00 0.00 H new ATOM 0 HG SER C 54 5.125 9.000 3.840 1.00 0.00 H new ATOM 1473 N GLU C 55 1.034 10.908 4.977 1.00 0.00 N ATOM 1474 CA GLU C 55 0.365 10.688 6.259 1.00 0.00 C ATOM 1475 C GLU C 55 -1.074 10.200 6.066 1.00 0.00 C ATOM 1476 O GLU C 55 -1.599 9.446 6.882 1.00 0.00 O ATOM 1477 CB GLU C 55 0.394 11.949 7.111 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.234 13.124 6.448 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.289 14.343 7.342 1.00 0.00 C ATOM 1480 OE1 GLU C 55 0.759 14.985 7.547 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -1.384 14.652 7.858 1.00 0.00 O ATOM 0 H GLU C 55 1.137 11.887 4.711 1.00 0.00 H new ATOM 0 HA GLU C 55 0.914 9.906 6.784 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.120 11.755 8.052 1.00 0.00 H new ATOM 0 HB3 GLU C 55 1.428 12.189 7.356 1.00 0.00 H new ATOM 0 HG2 GLU C 55 0.325 13.367 5.544 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.245 12.862 6.136 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.700 10.628 4.978 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.055 10.195 4.646 1.00 0.00 C ATOM 1490 C LYS C 56 -2.983 9.020 3.686 1.00 0.00 C ATOM 1491 O LYS C 56 -3.857 8.153 3.654 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.825 11.337 3.985 1.00 0.00 C ATOM 1493 CG LYS C 56 -3.878 12.604 4.825 1.00 0.00 C ATOM 1494 CD LYS C 56 -4.383 13.797 4.026 1.00 0.00 C ATOM 1495 CE LYS C 56 -5.835 13.637 3.612 1.00 0.00 C ATOM 1496 NZ LYS C 56 -6.340 14.842 2.904 1.00 0.00 N ATOM 0 H LYS C 56 -1.291 11.277 4.306 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.569 9.900 5.560 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.363 11.567 3.025 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.843 11.006 3.778 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.528 12.442 5.685 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -2.884 12.823 5.214 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.275 14.703 4.622 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -3.765 13.924 3.137 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -5.935 12.766 2.965 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -6.447 13.450 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -7.334 14.696 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -6.268 15.669 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -5.772 15.005 2.048 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.911 9.023 2.922 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.659 8.056 1.876 1.00 0.00 C ATOM 1512 C GLN C 57 -1.510 6.655 2.449 1.00 0.00 C ATOM 1513 O GLN C 57 -0.647 6.420 3.291 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.358 8.441 1.193 1.00 0.00 C ATOM 1515 CG GLN C 57 -0.153 7.848 -0.177 1.00 0.00 C ATOM 1516 CD GLN C 57 1.283 7.986 -0.605 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.082 7.078 -0.399 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.634 9.142 -1.140 1.00 0.00 N ATOM 0 H GLN C 57 -1.170 9.718 3.015 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.496 8.055 1.178 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.317 9.527 1.111 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.472 8.138 1.831 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.436 6.795 -0.170 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.802 8.348 -0.896 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.933 9.867 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.606 9.309 -1.401 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.333 5.734 1.987 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.221 4.342 2.405 1.00 0.00 C ATOM 1529 C ARG C 58 -1.984 3.438 1.195 1.00 0.00 C ATOM 1530 O ARG C 58 -2.749 3.478 0.232 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.479 3.919 3.166 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.707 4.726 4.434 1.00 0.00 C ATOM 1533 CD ARG C 58 -5.051 4.420 5.076 1.00 0.00 C ATOM 1534 NE ARG C 58 -5.188 3.013 5.433 1.00 0.00 N ATOM 1535 CZ ARG C 58 -4.926 2.514 6.639 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -4.451 3.294 7.605 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -5.135 1.231 6.867 1.00 0.00 N ATOM 0 H ARG C 58 -3.086 5.919 1.324 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.365 4.242 3.073 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.345 4.027 2.513 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.403 2.863 3.423 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.909 4.514 5.146 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.651 5.789 4.201 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -5.172 5.032 5.970 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -5.851 4.697 4.389 1.00 0.00 H new ATOM 0 HE ARG C 58 -5.506 2.368 4.710 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -4.284 4.284 7.425 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -4.253 2.902 8.526 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -5.494 0.633 6.123 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -4.938 0.838 7.787 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.899 2.665 1.223 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.603 1.721 0.163 1.00 0.00 C ATOM 1553 C LEU C 59 -1.211 0.356 0.476 1.00 0.00 C ATOM 1554 O LEU C 59 -0.958 -0.194 1.536 1.00 0.00 O ATOM 1555 CB LEU C 59 0.905 1.582 0.065 1.00 0.00 C ATOM 1556 CG LEU C 59 1.678 2.844 -0.316 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.171 2.588 -0.197 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.327 3.286 -1.730 1.00 0.00 C ATOM 0 H LEU C 59 -0.211 2.680 1.976 1.00 0.00 H new ATOM 0 HA LEU C 59 -1.024 2.081 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.279 1.229 1.026 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.130 0.808 -0.669 1.00 0.00 H new ATOM 0 HG LEU C 59 1.398 3.645 0.368 1.00 0.00 H new ATOM 0 HD11 LEU C 59 3.718 3.491 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.412 2.314 0.830 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.455 1.776 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU C 59 1.889 4.186 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU C 59 1.581 2.493 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.259 3.496 -1.791 1.00 0.00 H new ATOM 1570 N ILE C 60 -2.033 -0.186 -0.408 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.506 -1.551 -0.226 1.00 0.00 C ATOM 1572 C ILE C 60 -2.067 -2.453 -1.370 1.00 0.00 C ATOM 1573 O ILE C 60 -2.321 -2.167 -2.541 1.00 0.00 O ATOM 1574 CB ILE C 60 -4.027 -1.632 -0.133 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.570 -0.471 0.667 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.442 -2.941 0.521 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -6.028 -0.240 0.399 1.00 0.00 C ATOM 0 H ILE C 60 -2.381 0.285 -1.243 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.065 -1.886 0.713 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.436 -1.588 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.422 -0.662 1.730 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -4.009 0.431 0.424 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.529 -2.988 0.582 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.075 -3.777 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.019 -2.997 1.524 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.378 0.603 0.994 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.173 -0.023 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.593 -1.133 0.667 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.417 -3.543 -1.020 1.00 0.00 N ATOM 1590 CA TYR C 61 -1.034 -4.551 -1.986 1.00 0.00 C ATOM 1591 C TYR C 61 -1.280 -5.929 -1.387 1.00 0.00 C ATOM 1592 O TYR C 61 -0.886 -6.189 -0.249 1.00 0.00 O ATOM 1593 CB TYR C 61 0.426 -4.377 -2.395 1.00 0.00 C ATOM 1594 CG TYR C 61 0.843 -5.376 -3.428 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.226 -5.382 -4.659 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.816 -6.328 -3.167 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.561 -6.299 -5.615 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.162 -7.263 -4.119 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.532 -7.245 -5.345 1.00 0.00 C ATOM 1600 OH TYR C 61 1.857 -8.188 -6.291 1.00 0.00 O ATOM 0 H TYR C 61 -1.140 -3.755 -0.061 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.637 -4.443 -2.887 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.576 -3.370 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.063 -4.477 -1.516 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.537 -4.648 -4.873 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.309 -6.337 -2.206 1.00 0.00 H new ATOM 0 HE1 TYR C 61 0.070 -6.285 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.920 -8.003 -3.906 1.00 0.00 H new ATOM 0 HH TYR C 61 2.558 -8.775 -5.940 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.936 -6.804 -2.157 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.417 -8.090 -1.658 1.00 0.00 C ATOM 1612 C GLN C 62 -3.127 -7.935 -0.313 1.00 0.00 C ATOM 1613 O GLN C 62 -2.959 -8.751 0.592 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.250 -9.061 -1.569 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.486 -9.149 -2.880 1.00 0.00 C ATOM 1616 CD GLN C 62 -1.288 -9.782 -4.004 1.00 0.00 C ATOM 1617 OE1 GLN C 62 -2.146 -10.632 -3.774 1.00 0.00 O ATOM 1618 NE2 GLN C 62 -1.010 -9.372 -5.232 1.00 0.00 N ATOM 0 H GLN C 62 -2.146 -6.638 -3.141 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.154 -8.490 -2.354 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.574 -8.744 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.620 -10.050 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -0.180 -8.147 -3.182 1.00 0.00 H new ATOM 0 HG3 GLN C 62 0.425 -9.727 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -0.291 -8.664 -5.383 1.00 0.00 H new ATOM 0 HE22 GLN C 62 -1.515 -9.764 -6.027 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.915 -6.868 -0.190 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.704 -6.643 1.010 1.00 0.00 C ATOM 1629 C GLY C 63 -3.871 -6.257 2.224 1.00 0.00 C ATOM 1630 O GLY C 63 -4.401 -6.149 3.332 1.00 0.00 O ATOM 0 H GLY C 63 -4.021 -6.150 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.432 -5.855 0.814 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.267 -7.548 1.239 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.575 -6.058 2.030 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.693 -5.650 3.115 1.00 0.00 C ATOM 1636 C ARG C 64 -1.465 -4.147 3.039 1.00 0.00 C ATOM 1637 O ARG C 64 -1.159 -3.614 1.971 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.356 -6.401 3.027 1.00 0.00 C ATOM 1639 CG ARG C 64 0.310 -6.635 4.379 1.00 0.00 C ATOM 1640 CD ARG C 64 0.790 -5.343 5.020 1.00 0.00 C ATOM 1641 NE ARG C 64 0.776 -5.428 6.478 1.00 0.00 N ATOM 1642 CZ ARG C 64 1.719 -4.917 7.274 1.00 0.00 C ATOM 1643 NH1 ARG C 64 2.776 -4.303 6.754 1.00 0.00 N ATOM 1644 NH2 ARG C 64 1.608 -5.029 8.590 1.00 0.00 N ATOM 0 H ARG C 64 -2.110 -6.173 1.129 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.158 -5.895 4.070 1.00 0.00 H new ATOM 0 HB2 ARG C 64 -0.522 -7.363 2.543 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.325 -5.837 2.390 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -0.395 -7.129 5.048 1.00 0.00 H new ATOM 0 HG3 ARG C 64 1.156 -7.311 4.252 1.00 0.00 H new ATOM 0 HD2 ARG C 64 1.801 -5.120 4.678 1.00 0.00 H new ATOM 0 HD3 ARG C 64 0.155 -4.518 4.697 1.00 0.00 H new ATOM 0 HE ARG C 64 -0.007 -5.911 6.918 1.00 0.00 H new ATOM 0 HH11 ARG C 64 2.871 -4.220 5.742 1.00 0.00 H new ATOM 0 HH12 ARG C 64 3.493 -3.915 7.367 1.00 0.00 H new ATOM 0 HH21 ARG C 64 0.802 -5.506 8.995 1.00 0.00 H new ATOM 0 HH22 ARG C 64 2.328 -4.639 9.198 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.624 -3.469 4.166 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.482 -2.023 4.204 1.00 0.00 C ATOM 1660 C VAL C 65 -0.010 -1.636 4.314 1.00 0.00 C ATOM 1661 O VAL C 65 0.539 -1.521 5.414 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.251 -1.402 5.390 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.594 0.054 5.101 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.501 -2.209 5.712 1.00 0.00 C ATOM 0 H VAL C 65 -1.851 -3.897 5.064 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.903 -1.636 3.276 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.606 -1.429 6.268 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.136 0.475 5.948 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.676 0.619 4.940 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.216 0.111 4.208 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -4.024 -1.750 6.551 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.157 -2.227 4.841 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -3.218 -3.228 5.974 1.00 0.00 H new ATOM 1674 N LEU C 66 0.624 -1.457 3.167 1.00 0.00 N ATOM 1675 CA LEU C 66 2.015 -1.033 3.107 1.00 0.00 C ATOM 1676 C LEU C 66 2.094 0.429 3.521 1.00 0.00 C ATOM 1677 O LEU C 66 1.161 1.193 3.268 1.00 0.00 O ATOM 1678 CB LEU C 66 2.572 -1.173 1.690 1.00 0.00 C ATOM 1679 CG LEU C 66 1.864 -2.170 0.770 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.469 -2.084 -0.613 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.959 -3.594 1.299 1.00 0.00 C ATOM 0 H LEU C 66 0.192 -1.601 2.254 1.00 0.00 H new ATOM 0 HA LEU C 66 2.603 -1.663 3.775 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.544 -0.192 1.215 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.620 -1.462 1.763 1.00 0.00 H new ATOM 0 HG LEU C 66 0.806 -1.910 0.731 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.969 -2.792 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.344 -1.074 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.531 -2.324 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.444 -4.271 0.617 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.007 -3.884 1.376 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.494 -3.648 2.284 1.00 0.00 H new ATOM 1693 N GLN C 67 3.186 0.839 4.144 1.00 0.00 N ATOM 1694 CA GLN C 67 3.266 2.196 4.661 1.00 0.00 C ATOM 1695 C GLN C 67 4.720 2.649 4.853 1.00 0.00 C ATOM 1696 O GLN C 67 5.641 1.966 4.425 1.00 0.00 O ATOM 1697 CB GLN C 67 2.504 2.265 5.982 1.00 0.00 C ATOM 1698 CG GLN C 67 2.900 1.171 6.950 1.00 0.00 C ATOM 1699 CD GLN C 67 1.881 0.966 8.043 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.951 1.589 9.100 1.00 0.00 O ATOM 1701 NE2 GLN C 67 0.929 0.081 7.798 1.00 0.00 N ATOM 0 H GLN C 67 4.015 0.266 4.302 1.00 0.00 H new ATOM 0 HA GLN C 67 2.817 2.874 3.935 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.680 3.235 6.447 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.435 2.197 5.782 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.033 0.238 6.403 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.863 1.418 7.398 1.00 0.00 H new ATOM 0 HE21 GLN C 67 0.910 -0.413 6.906 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.214 -0.107 8.501 1.00 0.00 H new ATOM 1710 N ASP C 68 4.904 3.795 5.518 1.00 0.00 N ATOM 1711 CA ASP C 68 6.222 4.377 5.784 1.00 0.00 C ATOM 1712 C ASP C 68 7.051 3.520 6.751 1.00 0.00 C ATOM 1713 O ASP C 68 8.198 3.841 7.051 1.00 0.00 O ATOM 1714 CB ASP C 68 6.074 5.792 6.354 1.00 0.00 C ATOM 1715 CG ASP C 68 5.497 5.800 7.756 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.279 5.570 7.902 1.00 0.00 O ATOM 1717 OD2 ASP C 68 6.255 6.048 8.719 1.00 0.00 O ATOM 0 H ASP C 68 4.133 4.350 5.890 1.00 0.00 H new ATOM 0 HA ASP C 68 6.751 4.414 4.832 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.049 6.279 6.364 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.431 6.378 5.697 1.00 0.00 H new ATOM 1722 N ASP C 69 6.456 2.436 7.232 1.00 0.00 N ATOM 1723 CA ASP C 69 7.084 1.548 8.220 1.00 0.00 C ATOM 1724 C ASP C 69 8.268 0.783 7.625 1.00 0.00 C ATOM 1725 O ASP C 69 8.941 0.014 8.317 1.00 0.00 O ATOM 1726 CB ASP C 69 6.042 0.561 8.727 1.00 0.00 C ATOM 1727 CG ASP C 69 6.491 -0.205 9.954 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.558 0.401 11.045 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.758 -1.422 9.839 1.00 0.00 O ATOM 0 H ASP C 69 5.521 2.141 6.951 1.00 0.00 H new ATOM 0 HA ASP C 69 7.464 2.159 9.038 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.124 1.100 8.959 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.804 -0.146 7.932 1.00 0.00 H new ATOM 1734 N LYS C 70 8.487 1.000 6.336 1.00 0.00 N ATOM 1735 CA LYS C 70 9.587 0.389 5.584 1.00 0.00 C ATOM 1736 C LYS C 70 9.284 -1.065 5.278 1.00 0.00 C ATOM 1737 O LYS C 70 8.127 -1.478 5.352 1.00 0.00 O ATOM 1738 CB LYS C 70 10.925 0.526 6.325 1.00 0.00 C ATOM 1739 CG LYS C 70 11.355 1.967 6.535 1.00 0.00 C ATOM 1740 CD LYS C 70 12.792 2.057 7.028 1.00 0.00 C ATOM 1741 CE LYS C 70 12.962 1.410 8.392 1.00 0.00 C ATOM 1742 NZ LYS C 70 14.371 1.473 8.866 1.00 0.00 N ATOM 0 H LYS C 70 7.900 1.613 5.770 1.00 0.00 H new ATOM 0 HA LYS C 70 9.681 0.927 4.641 1.00 0.00 H new ATOM 0 HB2 LYS C 70 10.847 0.033 7.294 1.00 0.00 H new ATOM 0 HB3 LYS C 70 11.698 0.002 5.763 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.256 2.517 5.599 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.692 2.444 7.257 1.00 0.00 H new ATOM 0 HD2 LYS C 70 13.454 1.572 6.310 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.093 3.103 7.082 1.00 0.00 H new ATOM 0 HE2 LYS C 70 12.314 1.908 9.113 1.00 0.00 H new ATOM 0 HE3 LYS C 70 12.642 0.369 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 14.444 1.021 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 14.987 0.976 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 14.669 2.467 8.939 1.00 0.00 H new ATOM 1756 N LYS C 71 10.324 -1.826 4.929 1.00 0.00 N ATOM 1757 CA LYS C 71 10.192 -3.232 4.544 1.00 0.00 C ATOM 1758 C LYS C 71 9.667 -3.326 3.108 1.00 0.00 C ATOM 1759 O LYS C 71 8.644 -3.957 2.837 1.00 0.00 O ATOM 1760 CB LYS C 71 9.284 -3.989 5.529 1.00 0.00 C ATOM 1761 CG LYS C 71 9.717 -3.839 6.982 1.00 0.00 C ATOM 1762 CD LYS C 71 8.640 -4.318 7.942 1.00 0.00 C ATOM 1763 CE LYS C 71 9.027 -4.052 9.391 1.00 0.00 C ATOM 1764 NZ LYS C 71 9.144 -2.597 9.688 1.00 0.00 N ATOM 0 H LYS C 71 11.284 -1.483 4.906 1.00 0.00 H new ATOM 0 HA LYS C 71 11.173 -3.706 4.584 1.00 0.00 H new ATOM 0 HB2 LYS C 71 8.262 -3.627 5.422 1.00 0.00 H new ATOM 0 HB3 LYS C 71 9.276 -5.047 5.266 1.00 0.00 H new ATOM 0 HG2 LYS C 71 10.632 -4.407 7.149 1.00 0.00 H new ATOM 0 HG3 LYS C 71 9.948 -2.794 7.187 1.00 0.00 H new ATOM 0 HD2 LYS C 71 7.700 -3.814 7.717 1.00 0.00 H new ATOM 0 HD3 LYS C 71 8.472 -5.385 7.799 1.00 0.00 H new ATOM 0 HE2 LYS C 71 8.282 -4.496 10.051 1.00 0.00 H new ATOM 0 HE3 LYS C 71 9.977 -4.542 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 9.275 -2.461 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 9.961 -2.203 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 8.278 -2.109 9.382 1.00 0.00 H new ATOM 1778 N LEU C 72 10.410 -2.700 2.190 1.00 0.00 N ATOM 1779 CA LEU C 72 10.001 -2.573 0.790 1.00 0.00 C ATOM 1780 C LEU C 72 9.847 -3.923 0.093 1.00 0.00 C ATOM 1781 O LEU C 72 8.787 -4.225 -0.454 1.00 0.00 O ATOM 1782 CB LEU C 72 11.002 -1.710 0.007 1.00 0.00 C ATOM 1783 CG LEU C 72 10.868 -0.196 0.196 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.870 0.555 -0.663 1.00 0.00 C ATOM 1785 CD2 LEU C 72 9.458 0.253 -0.136 1.00 0.00 C ATOM 0 H LEU C 72 11.310 -2.268 2.397 1.00 0.00 H new ATOM 0 HA LEU C 72 9.023 -2.091 0.802 1.00 0.00 H new ATOM 0 HB2 LEU C 72 12.011 -2.005 0.296 1.00 0.00 H new ATOM 0 HB3 LEU C 72 10.895 -1.935 -1.054 1.00 0.00 H new ATOM 0 HG LEU C 72 11.078 0.032 1.241 1.00 0.00 H new ATOM 0 HD11 LEU C 72 11.751 1.627 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.882 0.258 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.698 0.319 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU C 72 9.377 1.331 0.003 1.00 0.00 H new ATOM 0 HD22 LEU C 72 9.231 0.003 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.751 -0.251 0.523 1.00 0.00 H new ATOM 1797 N GLN C 73 10.899 -4.731 0.096 1.00 0.00 N ATOM 1798 CA GLN C 73 10.888 -5.990 -0.602 1.00 0.00 C ATOM 1799 C GLN C 73 10.015 -7.014 0.110 1.00 0.00 C ATOM 1800 O GLN C 73 9.648 -8.043 -0.460 1.00 0.00 O ATOM 1801 CB GLN C 73 12.309 -6.485 -0.734 1.00 0.00 C ATOM 1802 CG GLN C 73 13.125 -6.386 0.547 1.00 0.00 C ATOM 1803 CD GLN C 73 14.492 -7.040 0.451 1.00 0.00 C ATOM 1804 OE1 GLN C 73 15.081 -7.042 -0.735 1.00 0.00 O flip ATOM 1805 NE2 GLN C 73 15.017 -7.539 1.446 1.00 0.00 N flip ATOM 0 H GLN C 73 11.773 -4.526 0.581 1.00 0.00 H new ATOM 0 HA GLN C 73 10.458 -5.846 -1.593 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.291 -7.525 -1.061 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.810 -5.914 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.252 -5.335 0.806 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.566 -6.850 1.360 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.532 -7.518 2.343 1.00 0.00 H new ATOM 0 HE22 GLN C 73 15.937 -7.973 1.374 1.00 0.00 H new ATOM 1814 N GLU C 74 9.694 -6.727 1.357 1.00 0.00 N ATOM 1815 CA GLU C 74 8.761 -7.536 2.115 1.00 0.00 C ATOM 1816 C GLU C 74 7.350 -7.303 1.619 1.00 0.00 C ATOM 1817 O GLU C 74 6.494 -8.181 1.697 1.00 0.00 O ATOM 1818 CB GLU C 74 8.869 -7.220 3.597 1.00 0.00 C ATOM 1819 CG GLU C 74 10.211 -7.620 4.162 1.00 0.00 C ATOM 1820 CD GLU C 74 11.211 -6.483 4.237 1.00 0.00 C ATOM 1821 OE1 GLU C 74 11.479 -5.844 3.200 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.751 -6.239 5.338 1.00 0.00 O ATOM 0 H GLU C 74 10.071 -5.930 1.870 1.00 0.00 H new ATOM 0 HA GLU C 74 9.009 -8.588 1.972 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.713 -6.153 3.753 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.078 -7.740 4.138 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.066 -8.029 5.162 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.629 -8.418 3.549 1.00 0.00 H new ATOM 1829 N TYR C 75 7.123 -6.108 1.109 1.00 0.00 N ATOM 1830 CA TYR C 75 5.858 -5.797 0.455 1.00 0.00 C ATOM 1831 C TYR C 75 5.853 -6.453 -0.909 1.00 0.00 C ATOM 1832 O TYR C 75 4.806 -6.748 -1.485 1.00 0.00 O ATOM 1833 CB TYR C 75 5.677 -4.293 0.264 1.00 0.00 C ATOM 1834 CG TYR C 75 5.645 -3.480 1.533 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.944 -3.913 2.644 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.292 -2.260 1.597 1.00 0.00 C ATOM 1837 CE1 TYR C 75 4.888 -3.152 3.794 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.237 -1.482 2.741 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.532 -1.935 3.837 1.00 0.00 C ATOM 1840 OH TYR C 75 5.461 -1.163 4.973 1.00 0.00 O ATOM 0 H TYR C 75 7.791 -5.338 1.132 1.00 0.00 H new ATOM 0 HA TYR C 75 5.047 -6.165 1.083 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.488 -3.923 -0.364 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.748 -4.122 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.432 -4.863 2.611 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.849 -1.908 0.741 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.342 -3.509 4.655 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.742 -0.528 2.775 1.00 0.00 H new ATOM 0 HH TYR C 75 6.355 -1.074 5.364 1.00 0.00 H new ATOM 1850 N ASN C 76 7.073 -6.659 -1.403 1.00 0.00 N ATOM 1851 CA ASN C 76 7.331 -7.410 -2.628 1.00 0.00 C ATOM 1852 C ASN C 76 6.664 -6.730 -3.818 1.00 0.00 C ATOM 1853 O ASN C 76 6.363 -7.350 -4.834 1.00 0.00 O ATOM 1854 CB ASN C 76 6.847 -8.857 -2.457 1.00 0.00 C ATOM 1855 CG ASN C 76 7.268 -9.778 -3.579 1.00 0.00 C ATOM 1856 OD1 ASN C 76 6.553 -9.956 -4.568 1.00 0.00 O ATOM 1857 ND2 ASN C 76 8.418 -10.392 -3.425 1.00 0.00 N ATOM 0 H ASN C 76 7.919 -6.304 -0.958 1.00 0.00 H new ATOM 0 HA ASN C 76 8.403 -7.431 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN C 76 7.230 -9.249 -1.515 1.00 0.00 H new ATOM 0 HB3 ASN C 76 5.759 -8.860 -2.386 1.00 0.00 H new ATOM 0 HD21 ASN C 76 8.748 -11.043 -4.138 1.00 0.00 H new ATOM 0 HD22 ASN C 76 8.981 -10.218 -2.593 1.00 0.00 H new ATOM 1864 N VAL C 77 6.476 -5.424 -3.703 1.00 0.00 N ATOM 1865 CA VAL C 77 5.761 -4.671 -4.730 1.00 0.00 C ATOM 1866 C VAL C 77 6.672 -4.288 -5.893 1.00 0.00 C ATOM 1867 O VAL C 77 6.380 -3.361 -6.650 1.00 0.00 O ATOM 1868 CB VAL C 77 5.102 -3.407 -4.155 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.057 -3.790 -3.128 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.141 -2.473 -3.552 1.00 0.00 C ATOM 0 H VAL C 77 6.805 -4.864 -2.916 1.00 0.00 H new ATOM 0 HA VAL C 77 4.980 -5.333 -5.104 1.00 0.00 H new ATOM 0 HB VAL C 77 4.613 -2.871 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.595 -2.889 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.294 -4.410 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.529 -4.348 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.646 -1.587 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.669 -2.986 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.853 -2.175 -4.322 1.00 0.00 H new ATOM 1880 N GLY C 78 7.766 -5.013 -6.040 1.00 0.00 N ATOM 1881 CA GLY C 78 8.660 -4.777 -7.132 1.00 0.00 C ATOM 1882 C GLY C 78 8.146 -5.348 -8.406 1.00 0.00 C ATOM 1883 O GLY C 78 8.248 -6.543 -8.682 1.00 0.00 O ATOM 0 H GLY C 78 8.047 -5.766 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.812 -3.704 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.633 -5.214 -6.905 1.00 0.00 H new ATOM 1887 N GLY C 79 7.578 -4.463 -9.145 1.00 0.00 N ATOM 1888 CA GLY C 79 7.088 -4.762 -10.474 1.00 0.00 C ATOM 1889 C GLY C 79 5.592 -5.048 -10.548 1.00 0.00 C ATOM 1890 O GLY C 79 5.107 -5.571 -11.552 1.00 0.00 O ATOM 0 H GLY C 79 7.431 -3.496 -8.855 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.317 -3.922 -11.129 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.629 -5.625 -10.861 1.00 0.00 H new ATOM 1894 N LYS C 80 4.866 -4.718 -9.491 1.00 0.00 N ATOM 1895 CA LYS C 80 3.409 -4.924 -9.448 1.00 0.00 C ATOM 1896 C LYS C 80 2.711 -3.628 -9.031 1.00 0.00 C ATOM 1897 O LYS C 80 3.280 -2.860 -8.255 1.00 0.00 O ATOM 1898 CB LYS C 80 3.043 -6.030 -8.449 1.00 0.00 C ATOM 1899 CG LYS C 80 3.810 -7.340 -8.623 1.00 0.00 C ATOM 1900 CD LYS C 80 5.133 -7.329 -7.863 1.00 0.00 C ATOM 1901 CE LYS C 80 5.849 -8.672 -7.936 1.00 0.00 C ATOM 1902 NZ LYS C 80 7.141 -8.653 -7.195 1.00 0.00 N ATOM 0 H LYS C 80 5.255 -4.304 -8.644 1.00 0.00 H new ATOM 0 HA LYS C 80 3.080 -5.221 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.215 -5.658 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS C 80 1.976 -6.237 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS C 80 3.196 -8.170 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS C 80 4.001 -7.511 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS C 80 5.779 -6.552 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS C 80 4.949 -7.074 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS C 80 5.206 -9.449 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS C 80 6.032 -8.930 -8.979 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 7.605 -9.579 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 7.759 -7.917 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 6.962 -8.449 -6.191 1.00 0.00 H new ATOM 1916 N VAL C 81 1.493 -3.369 -9.539 1.00 0.00 N ATOM 1917 CA VAL C 81 0.782 -2.144 -9.159 1.00 0.00 C ATOM 1918 C VAL C 81 0.103 -2.286 -7.798 1.00 0.00 C ATOM 1919 O VAL C 81 -0.650 -3.228 -7.541 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.243 -1.616 -10.196 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.347 -1.400 -11.575 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.437 -2.501 -10.292 1.00 0.00 C ATOM 0 H VAL C 81 0.996 -3.973 -10.194 1.00 0.00 H new ATOM 0 HA VAL C 81 1.573 -1.395 -9.112 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.549 -0.640 -9.819 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.427 -1.030 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL C 81 1.155 -0.670 -11.515 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.738 -2.344 -11.955 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.131 -2.097 -11.029 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.126 -3.500 -10.597 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.929 -2.555 -9.321 1.00 0.00 H new ATOM 1932 N ILE C 82 0.420 -1.348 -6.920 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.221 -1.240 -5.626 1.00 0.00 C ATOM 1934 C ILE C 82 -1.565 -0.539 -5.800 1.00 0.00 C ATOM 1935 O ILE C 82 -1.877 -0.068 -6.884 1.00 0.00 O ATOM 1936 CB ILE C 82 0.667 -0.449 -4.629 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.032 -1.061 -4.527 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.050 -0.345 -3.243 1.00 0.00 C ATOM 1939 CD1 ILE C 82 2.956 -0.298 -3.606 1.00 0.00 C ATOM 0 H ILE C 82 1.133 -0.638 -7.089 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.371 -2.240 -5.218 1.00 0.00 H new ATOM 0 HB ILE C 82 0.747 0.561 -5.030 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.938 -2.087 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.477 -1.109 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.716 0.219 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.911 0.166 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.098 -1.345 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE C 82 3.928 -0.791 -3.575 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.078 0.720 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.530 -0.272 -2.603 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.376 -0.505 -4.766 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.619 0.242 -4.806 1.00 0.00 C ATOM 1953 C HIS C 83 -3.600 1.337 -3.750 1.00 0.00 C ATOM 1954 O HIS C 83 -3.428 1.058 -2.563 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.809 -0.694 -4.556 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.925 -1.810 -5.547 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.916 -3.141 -5.184 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.047 -1.793 -6.894 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.026 -3.890 -6.264 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.107 -3.098 -7.311 1.00 0.00 N ATOM 0 H HIS C 83 -2.199 -0.986 -3.884 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.724 0.694 -5.792 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.721 -1.118 -3.556 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.728 -0.109 -4.574 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.089 -0.916 -7.523 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -5.046 -4.970 -6.285 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.200 -3.406 -8.279 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.764 2.571 -4.182 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.743 3.707 -3.263 1.00 0.00 C ATOM 1971 C LEU C 84 -5.104 3.986 -2.626 1.00 0.00 C ATOM 1972 O LEU C 84 -6.151 3.604 -3.153 1.00 0.00 O ATOM 1973 CB LEU C 84 -3.239 4.957 -3.973 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.757 5.255 -3.762 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -1.337 6.461 -4.575 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.468 5.488 -2.288 1.00 0.00 C ATOM 0 H LEU C 84 -3.913 2.820 -5.160 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.060 3.439 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -3.426 4.852 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.820 5.813 -3.630 1.00 0.00 H new ATOM 0 HG LEU C 84 -1.182 4.393 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -0.278 6.659 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -1.511 6.265 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.920 7.329 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -0.407 5.699 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -2.054 6.335 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.735 4.597 -1.720 1.00 0.00 H new ATOM 1988 N VAL C 85 -5.063 4.648 -1.472 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.263 5.016 -0.731 1.00 0.00 C ATOM 1990 C VAL C 85 -6.335 6.526 -0.553 1.00 0.00 C ATOM 1991 O VAL C 85 -5.326 7.224 -0.664 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.274 4.385 0.680 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.642 4.488 1.340 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -5.818 2.947 0.630 1.00 0.00 C ATOM 0 H VAL C 85 -4.195 4.944 -1.025 1.00 0.00 H new ATOM 0 HA VAL C 85 -7.113 4.650 -1.307 1.00 0.00 H new ATOM 0 HB VAL C 85 -5.572 4.953 1.290 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.604 4.032 2.329 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -7.922 5.537 1.434 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -8.381 3.969 0.729 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -5.834 2.525 1.635 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -6.486 2.376 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -4.804 2.901 0.233 1.00 0.00 H new