USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 686 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 50 SER OG : rot -150:sc= -2.07 USER MOD Set 1.2: A 83 MET CE :methyl -152:sc= -1.86 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -42:sc= -2.82! USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.118) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.55! C(o=-2.5!,f=-5.9!) USER MOD Single : A 26 THR OG1 : rot 167:sc= -0.565 USER MOD Single : A 28 HIS : no HD1:sc= -2.17 X(o=-2.2,f=-2.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 37 TYR OH : rot -6:sc= 0.249 USER MOD Single : A 38 SER OG : rot 69:sc= 1.12 USER MOD Single : A 40 SER OG : rot 180:sc= 0.046 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.503 K(o=-0.5,f=-1.7) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0181 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.65! C(o=-4.7!,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0674 USER MOD Single : A 73 SER OG : rot 180:sc= 0.132 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=0.72) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 102:sc= 1.36 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -132:sc= -2.5 (180deg=-3.15) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.33! C(o=-7.3!,f=-7.1!) USER MOD Single : A 102 ASN : amide:sc= -0.69 K(o=-0.69,f=-2.1) USER MOD Single : A 103 HIS : no HD1:sc= -1.32 K(o=-0.024,f=-13!) USER MOD Single : A 104 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 170 N MET A 12 -1.110 15.297 10.487 1.00 50.00 N ATOM 171 CA MET A 12 -1.336 14.265 9.436 1.00 50.00 C ATOM 172 C MET A 12 -2.343 14.775 8.402 1.00 50.00 C ATOM 173 O MET A 12 -3.530 14.829 8.655 1.00 50.00 O ATOM 174 CB MET A 12 -1.901 13.056 10.183 1.00 50.00 C ATOM 175 CG MET A 12 -3.017 13.513 11.124 1.00 50.00 C ATOM 176 SD MET A 12 -4.227 12.181 11.317 1.00 50.00 S ATOM 177 CE MET A 12 -4.195 12.106 13.125 1.00 50.00 C ATOM 0 HA MET A 12 -0.422 14.020 8.895 1.00 50.00 H new ATOM 0 HB2 MET A 12 -2.286 12.324 9.473 1.00 50.00 H new ATOM 0 HB3 MET A 12 -1.111 12.564 10.751 1.00 50.00 H new ATOM 0 HG2 MET A 12 -2.601 13.784 12.094 1.00 50.00 H new ATOM 0 HG3 MET A 12 -3.502 14.404 10.725 1.00 50.00 H new ATOM 0 HE1 MET A 12 -4.883 11.334 13.469 1.00 50.00 H new ATOM 0 HE2 MET A 12 -3.186 11.869 13.462 1.00 50.00 H new ATOM 0 HE3 MET A 12 -4.497 13.070 13.535 1.00 50.00 H new ATOM 187 N CYS A 13 -1.883 15.149 7.237 1.00 99.99 N ATOM 188 CA CYS A 13 -2.824 15.650 6.196 1.00 99.99 C ATOM 189 C CYS A 13 -2.310 15.302 4.792 1.00 99.99 C ATOM 190 O CYS A 13 -1.364 15.877 4.299 1.00 99.99 O ATOM 191 CB CYS A 13 -2.879 17.169 6.419 1.00 99.99 C ATOM 192 SG CYS A 13 -1.408 17.980 5.725 1.00 99.99 S ATOM 0 H CYS A 13 -0.901 15.129 6.963 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.813 15.198 6.271 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -3.777 17.576 5.955 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.947 17.382 7.486 1.00 99.99 H new ATOM 197 N THR A 14 -2.935 14.364 4.135 1.00 99.99 N ATOM 198 CA THR A 14 -2.475 13.990 2.767 1.00 99.99 C ATOM 199 C THR A 14 -3.580 13.251 2.011 1.00 99.99 C ATOM 200 O THR A 14 -3.332 12.274 1.332 1.00 99.99 O ATOM 201 CB THR A 14 -1.275 13.069 2.990 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.433 13.624 3.991 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.491 12.923 1.684 1.00 99.99 C ATOM 0 H THR A 14 -3.740 13.843 4.483 1.00 99.99 H new ATOM 0 HA THR A 14 -2.217 14.865 2.171 1.00 99.99 H new ATOM 0 HB THR A 14 -1.625 12.088 3.312 1.00 99.99 H new ATOM 0 HG1 THR A 14 -0.349 14.590 3.849 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.364 12.266 1.844 1.00 99.99 H new ATOM 0 HG22 THR A 14 -1.138 12.496 0.917 1.00 99.99 H new ATOM 0 HG23 THR A 14 -0.140 13.902 1.359 1.00 99.99 H new ATOM 211 N GLU A 15 -4.796 13.706 2.118 1.00 99.99 N ATOM 212 CA GLU A 15 -5.907 13.022 1.397 1.00 99.99 C ATOM 213 C GLU A 15 -5.705 13.152 -0.116 1.00 99.99 C ATOM 214 O GLU A 15 -6.433 12.577 -0.901 1.00 99.99 O ATOM 215 CB GLU A 15 -7.177 13.752 1.836 1.00 99.99 C ATOM 216 CG GLU A 15 -7.193 15.158 1.234 1.00 99.99 C ATOM 217 CD GLU A 15 -8.451 15.894 1.697 1.00 99.99 C ATOM 218 OE1 GLU A 15 -9.525 15.537 1.239 1.00 99.99 O ATOM 219 OE2 GLU A 15 -8.321 16.804 2.501 1.00 99.99 O ATOM 0 H GLU A 15 -5.069 14.518 2.671 1.00 99.99 H new ATOM 0 HA GLU A 15 -5.956 11.957 1.623 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.058 13.197 1.513 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.218 13.810 2.924 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -6.303 15.707 1.541 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -7.172 15.100 0.146 1.00 99.99 H new ATOM 226 N LYS A 16 -4.719 13.904 -0.531 1.00 50.00 N ATOM 227 CA LYS A 16 -4.473 14.069 -1.992 1.00 50.00 C ATOM 228 C LYS A 16 -3.642 12.901 -2.533 1.00 50.00 C ATOM 229 O LYS A 16 -2.554 13.084 -3.041 1.00 50.00 O ATOM 230 CB LYS A 16 -3.692 15.378 -2.117 1.00 50.00 C ATOM 231 CG LYS A 16 -4.566 16.542 -1.649 1.00 50.00 C ATOM 232 CD LYS A 16 -5.105 17.296 -2.867 1.00 50.00 C ATOM 233 CE LYS A 16 -5.413 18.743 -2.476 1.00 50.00 C ATOM 234 NZ LYS A 16 -6.633 18.660 -1.626 1.00 50.00 N ATOM 0 H LYS A 16 -4.076 14.409 0.078 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.402 14.087 -2.562 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.782 15.329 -1.519 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.385 15.533 -3.151 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -5.392 16.170 -1.043 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -3.986 17.216 -1.018 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -4.373 17.274 -3.675 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -6.006 16.809 -3.240 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -4.582 19.190 -1.931 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -5.587 19.362 -3.357 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -7.043 19.609 -1.514 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -7.329 18.033 -2.078 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -6.380 18.280 -0.692 1.00 50.00 H new ATOM 248 N PHE A 17 -4.151 11.703 -2.438 1.00 50.00 N ATOM 249 CA PHE A 17 -3.395 10.527 -2.958 1.00 50.00 C ATOM 250 C PHE A 17 -3.962 10.110 -4.316 1.00 50.00 C ATOM 251 O PHE A 17 -5.155 10.158 -4.541 1.00 50.00 O ATOM 252 CB PHE A 17 -3.614 9.422 -1.924 1.00 50.00 C ATOM 253 CG PHE A 17 -2.286 9.024 -1.323 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.306 9.995 -1.087 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.036 7.684 -1.004 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.075 9.625 -0.531 1.00 50.00 C ATOM 257 CE2 PHE A 17 -0.806 7.315 -0.449 1.00 50.00 C ATOM 258 CZ PHE A 17 0.175 8.285 -0.212 1.00 50.00 C ATOM 0 H PHE A 17 -5.057 11.487 -2.023 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.336 10.742 -3.100 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.289 9.769 -1.142 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.086 8.559 -2.393 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.499 11.029 -1.333 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -2.793 6.935 -1.186 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.682 10.374 -0.348 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -0.613 6.281 -0.203 1.00 50.00 H new ATOM 0 HZ PHE A 17 1.124 8.000 0.217 1.00 50.00 H new ATOM 268 N SER A 18 -3.121 9.701 -5.223 1.00 50.00 N ATOM 269 CA SER A 18 -3.625 9.286 -6.564 1.00 50.00 C ATOM 270 C SER A 18 -3.109 7.888 -6.913 1.00 50.00 C ATOM 271 O SER A 18 -2.001 7.727 -7.384 1.00 50.00 O ATOM 272 CB SER A 18 -3.066 10.321 -7.537 1.00 50.00 C ATOM 273 OG SER A 18 -3.842 10.312 -8.728 1.00 50.00 O ATOM 0 H SER A 18 -2.111 9.636 -5.097 1.00 50.00 H new ATOM 0 HA SER A 18 -4.714 9.241 -6.599 1.00 50.00 H new ATOM 0 HB2 SER A 18 -3.086 11.312 -7.083 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.024 10.097 -7.766 1.00 50.00 H new ATOM 0 HG SER A 18 -3.487 10.977 -9.355 1.00 50.00 H new ATOM 279 N PHE A 19 -3.906 6.879 -6.692 1.00 50.00 N ATOM 280 CA PHE A 19 -3.462 5.497 -7.015 1.00 50.00 C ATOM 281 C PHE A 19 -3.214 5.364 -8.519 1.00 50.00 C ATOM 282 O PHE A 19 -4.107 5.528 -9.324 1.00 50.00 O ATOM 283 CB PHE A 19 -4.611 4.589 -6.569 1.00 50.00 C ATOM 284 CG PHE A 19 -5.939 5.178 -6.993 1.00 50.00 C ATOM 285 CD1 PHE A 19 -6.399 4.996 -8.302 1.00 50.00 C ATOM 286 CD2 PHE A 19 -6.710 5.900 -6.073 1.00 50.00 C ATOM 287 CE1 PHE A 19 -7.630 5.539 -8.693 1.00 50.00 C ATOM 288 CE2 PHE A 19 -7.940 6.442 -6.464 1.00 50.00 C ATOM 289 CZ PHE A 19 -8.401 6.262 -7.773 1.00 50.00 C ATOM 0 H PHE A 19 -4.845 6.953 -6.302 1.00 50.00 H new ATOM 0 HA PHE A 19 -2.529 5.235 -6.516 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -4.490 3.597 -7.004 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -4.588 4.467 -5.486 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -5.805 4.437 -9.010 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -6.356 6.038 -5.062 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -7.985 5.400 -9.704 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.534 7.000 -5.755 1.00 50.00 H new ATOM 0 HZ PHE A 19 -9.350 6.680 -8.074 1.00 50.00 H new ATOM 299 N ALA A 20 -2.002 5.071 -8.903 1.00 50.00 N ATOM 300 CA ALA A 20 -1.692 4.929 -10.354 1.00 50.00 C ATOM 301 C ALA A 20 -1.602 3.448 -10.730 1.00 50.00 C ATOM 302 O ALA A 20 -1.758 3.080 -11.878 1.00 50.00 O ATOM 303 CB ALA A 20 -0.337 5.614 -10.537 1.00 50.00 C ATOM 0 H ALA A 20 -1.212 4.924 -8.274 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.460 5.371 -10.988 1.00 50.00 H new ATOM 0 HB1 ALA A 20 -0.037 5.553 -11.583 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.416 6.661 -10.243 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.408 5.118 -9.916 1.00 50.00 H new ATOM 309 N LYS A 21 -1.349 2.597 -9.774 1.00 50.00 N ATOM 310 CA LYS A 21 -1.247 1.143 -10.083 1.00 50.00 C ATOM 311 C LYS A 21 -1.956 0.323 -9.001 1.00 50.00 C ATOM 312 O LYS A 21 -1.961 0.680 -7.840 1.00 50.00 O ATOM 313 CB LYS A 21 0.252 0.846 -10.088 1.00 50.00 C ATOM 314 CG LYS A 21 0.996 1.979 -10.799 1.00 50.00 C ATOM 315 CD LYS A 21 2.300 1.442 -11.390 1.00 50.00 C ATOM 316 CE LYS A 21 1.980 0.418 -12.480 1.00 50.00 C ATOM 317 NZ LYS A 21 2.836 -0.760 -12.165 1.00 50.00 N ATOM 0 H LYS A 21 -1.209 2.845 -8.795 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.716 0.886 -11.033 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.616 0.743 -9.066 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.444 -0.101 -10.592 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.372 2.399 -11.588 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.208 2.786 -10.097 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.888 2.260 -11.806 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.904 0.981 -10.608 1.00 50.00 H new ATOM 0 HE2 LYS A 21 0.923 0.151 -12.473 1.00 50.00 H new ATOM 0 HE3 LYS A 21 2.202 0.814 -13.471 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 2.672 -1.507 -12.870 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 3.837 -0.477 -12.186 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.597 -1.119 -11.219 1.00 50.00 H new ATOM 331 N ASN A 22 -2.554 -0.776 -9.374 1.00 50.00 N ATOM 332 CA ASN A 22 -3.261 -1.618 -8.368 1.00 50.00 C ATOM 333 C ASN A 22 -2.254 -2.229 -7.391 1.00 50.00 C ATOM 334 O ASN A 22 -1.070 -2.270 -7.663 1.00 50.00 O ATOM 335 CB ASN A 22 -3.950 -2.713 -9.183 1.00 50.00 C ATOM 336 CG ASN A 22 -2.892 -3.588 -9.857 1.00 50.00 C ATOM 337 OD1 ASN A 22 -1.945 -4.013 -9.226 1.00 50.00 O ATOM 338 ND2 ASN A 22 -3.013 -3.878 -11.124 1.00 50.00 N ATOM 0 H ASN A 22 -2.583 -1.127 -10.331 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.972 -1.044 -7.774 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -4.581 -3.321 -8.535 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -4.601 -2.267 -9.935 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -2.313 -4.461 -11.583 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -3.808 -3.522 -11.655 1.00 50.00 H new ATOM 345 N PRO A 23 -2.763 -2.684 -6.278 1.00 50.00 N ATOM 346 CA PRO A 23 -1.900 -3.302 -5.242 1.00 50.00 C ATOM 347 C PRO A 23 -1.414 -4.680 -5.705 1.00 50.00 C ATOM 348 O PRO A 23 -2.191 -5.598 -5.873 1.00 50.00 O ATOM 349 CB PRO A 23 -2.826 -3.427 -4.034 1.00 50.00 C ATOM 350 CG PRO A 23 -4.207 -3.467 -4.608 1.00 50.00 C ATOM 351 CD PRO A 23 -4.176 -2.669 -5.887 1.00 50.00 C ATOM 0 HA PRO A 23 -1.003 -2.721 -5.026 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.610 -4.330 -3.463 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.705 -2.583 -3.355 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -4.514 -4.495 -4.802 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.928 -3.045 -3.908 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.807 -3.118 -6.654 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.537 -1.652 -5.732 1.00 50.00 H new ATOM 359 N ALA A 24 -0.135 -4.828 -5.915 1.00 50.00 N ATOM 360 CA ALA A 24 0.399 -6.145 -6.371 1.00 50.00 C ATOM 361 C ALA A 24 1.106 -6.862 -5.217 1.00 50.00 C ATOM 362 O ALA A 24 1.804 -6.254 -4.431 1.00 50.00 O ATOM 363 CB ALA A 24 1.393 -5.806 -7.482 1.00 50.00 C ATOM 0 H ALA A 24 0.564 -4.095 -5.791 1.00 50.00 H new ATOM 0 HA ALA A 24 -0.391 -6.811 -6.719 1.00 50.00 H new ATOM 0 HB1 ALA A 24 1.831 -6.725 -7.871 1.00 50.00 H new ATOM 0 HB2 ALA A 24 0.876 -5.282 -8.286 1.00 50.00 H new ATOM 0 HB3 ALA A 24 2.182 -5.169 -7.082 1.00 50.00 H new ATOM 369 N ASP A 25 0.930 -8.152 -5.113 1.00 50.00 N ATOM 370 CA ASP A 25 1.590 -8.910 -4.011 1.00 50.00 C ATOM 371 C ASP A 25 2.964 -9.414 -4.465 1.00 50.00 C ATOM 372 O ASP A 25 3.069 -10.285 -5.306 1.00 50.00 O ATOM 373 CB ASP A 25 0.655 -10.085 -3.726 1.00 50.00 C ATOM 374 CG ASP A 25 0.816 -10.526 -2.270 1.00 50.00 C ATOM 375 OD1 ASP A 25 1.947 -10.685 -1.841 1.00 50.00 O ATOM 376 OD2 ASP A 25 -0.195 -10.696 -1.608 1.00 50.00 O ATOM 0 H ASP A 25 0.358 -8.714 -5.744 1.00 50.00 H new ATOM 0 HA ASP A 25 1.754 -8.295 -3.126 1.00 50.00 H new ATOM 0 HB2 ASP A 25 -0.378 -9.795 -3.917 1.00 50.00 H new ATOM 0 HB3 ASP A 25 0.882 -10.915 -4.395 1.00 50.00 H new ATOM 381 N THR A 26 4.017 -8.877 -3.912 1.00 50.00 N ATOM 382 CA THR A 26 5.381 -9.330 -4.311 1.00 50.00 C ATOM 383 C THR A 26 5.797 -10.546 -3.480 1.00 50.00 C ATOM 384 O THR A 26 6.793 -10.525 -2.785 1.00 50.00 O ATOM 385 CB THR A 26 6.299 -8.141 -4.018 1.00 50.00 C ATOM 386 OG1 THR A 26 5.603 -7.190 -3.224 1.00 50.00 O ATOM 387 CG2 THR A 26 6.732 -7.492 -5.333 1.00 50.00 C ATOM 0 H THR A 26 3.993 -8.145 -3.202 1.00 50.00 H new ATOM 0 HA THR A 26 5.426 -9.629 -5.358 1.00 50.00 H new ATOM 0 HB THR A 26 7.181 -8.487 -3.479 1.00 50.00 H new ATOM 0 HG1 THR A 26 6.239 -6.538 -2.862 1.00 50.00 H new ATOM 0 HG21 THR A 26 7.386 -6.645 -5.123 1.00 50.00 H new ATOM 0 HG22 THR A 26 7.267 -8.222 -5.940 1.00 50.00 H new ATOM 0 HG23 THR A 26 5.852 -7.145 -5.875 1.00 50.00 H new ATOM 395 N GLY A 27 5.039 -11.606 -3.547 1.00 50.00 N ATOM 396 CA GLY A 27 5.388 -12.823 -2.761 1.00 50.00 C ATOM 397 C GLY A 27 4.173 -13.272 -1.949 1.00 50.00 C ATOM 398 O GLY A 27 3.090 -13.439 -2.475 1.00 50.00 O ATOM 0 H GLY A 27 4.193 -11.682 -4.112 1.00 50.00 H new ATOM 0 HA2 GLY A 27 5.707 -13.622 -3.430 1.00 50.00 H new ATOM 0 HA3 GLY A 27 6.225 -12.611 -2.096 1.00 50.00 H new ATOM 402 N HIS A 28 4.340 -13.470 -0.670 1.00 50.00 N ATOM 403 CA HIS A 28 3.190 -13.910 0.172 1.00 50.00 C ATOM 404 C HIS A 28 3.111 -13.059 1.443 1.00 50.00 C ATOM 405 O HIS A 28 3.683 -13.393 2.461 1.00 50.00 O ATOM 406 CB HIS A 28 3.487 -15.368 0.521 1.00 50.00 C ATOM 407 CG HIS A 28 4.878 -15.476 1.084 1.00 50.00 C ATOM 408 ND1 HIS A 28 5.120 -15.546 2.446 1.00 50.00 N ATOM 409 CD2 HIS A 28 6.110 -15.525 0.480 1.00 50.00 C ATOM 410 CE1 HIS A 28 6.452 -15.633 2.617 1.00 50.00 C ATOM 411 NE2 HIS A 28 7.103 -15.626 1.451 1.00 50.00 N ATOM 0 H HIS A 28 5.221 -13.347 -0.172 1.00 50.00 H new ATOM 0 HA HIS A 28 2.236 -13.802 -0.344 1.00 50.00 H new ATOM 0 HB2 HIS A 28 2.760 -15.735 1.246 1.00 50.00 H new ATOM 0 HB3 HIS A 28 3.393 -15.992 -0.368 1.00 50.00 H new ATOM 0 HD2 HIS A 28 6.283 -15.490 -0.586 1.00 50.00 H new ATOM 0 HE1 HIS A 28 6.936 -15.700 3.580 1.00 50.00 H new ATOM 0 HE2 HIS A 28 8.111 -15.682 1.303 1.00 50.00 H new ATOM 419 N GLY A 29 2.404 -11.963 1.391 1.00 50.00 N ATOM 420 CA GLY A 29 2.287 -11.095 2.596 1.00 50.00 C ATOM 421 C GLY A 29 2.982 -9.757 2.332 1.00 50.00 C ATOM 422 O GLY A 29 3.512 -9.135 3.230 1.00 50.00 O ATOM 0 H GLY A 29 1.903 -11.632 0.567 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.237 -10.930 2.838 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.739 -11.588 3.457 1.00 50.00 H new ATOM 426 N THR A 30 2.987 -9.311 1.106 1.00 50.00 N ATOM 427 CA THR A 30 3.650 -8.014 0.788 1.00 50.00 C ATOM 428 C THR A 30 3.036 -7.397 -0.473 1.00 50.00 C ATOM 429 O THR A 30 3.201 -7.902 -1.565 1.00 50.00 O ATOM 430 CB THR A 30 5.118 -8.368 0.550 1.00 50.00 C ATOM 431 OG1 THR A 30 5.213 -9.719 0.122 1.00 50.00 O ATOM 432 CG2 THR A 30 5.906 -8.184 1.848 1.00 50.00 C ATOM 0 H THR A 30 2.561 -9.788 0.311 1.00 50.00 H new ATOM 0 HA THR A 30 3.530 -7.284 1.588 1.00 50.00 H new ATOM 0 HB THR A 30 5.531 -7.714 -0.218 1.00 50.00 H new ATOM 0 HG1 THR A 30 6.153 -9.948 -0.033 1.00 50.00 H new ATOM 0 HG21 THR A 30 6.952 -8.437 1.677 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.832 -7.147 2.175 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.496 -8.837 2.618 1.00 50.00 H new ATOM 440 N VAL A 31 2.330 -6.309 -0.329 1.00 50.00 N ATOM 441 CA VAL A 31 1.707 -5.662 -1.511 1.00 50.00 C ATOM 442 C VAL A 31 2.420 -4.346 -1.832 1.00 50.00 C ATOM 443 O VAL A 31 2.912 -3.665 -0.955 1.00 50.00 O ATOM 444 CB VAL A 31 0.257 -5.401 -1.110 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.484 -4.743 -2.275 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.421 -6.727 -0.758 1.00 50.00 C ATOM 0 H VAL A 31 2.159 -5.841 0.561 1.00 50.00 H new ATOM 0 HA VAL A 31 1.774 -6.286 -2.402 1.00 50.00 H new ATOM 0 HB VAL A 31 0.233 -4.739 -0.244 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.519 -4.557 -1.989 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.001 -3.799 -2.526 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.460 -5.404 -3.141 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.456 -6.542 -0.472 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -0.397 -7.389 -1.624 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.107 -7.196 0.072 1.00 50.00 H new ATOM 456 N VAL A 32 2.483 -3.984 -3.084 1.00 50.00 N ATOM 457 CA VAL A 32 3.166 -2.714 -3.458 1.00 50.00 C ATOM 458 C VAL A 32 2.221 -1.820 -4.266 1.00 50.00 C ATOM 459 O VAL A 32 1.779 -2.177 -5.340 1.00 50.00 O ATOM 460 CB VAL A 32 4.361 -3.137 -4.315 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.530 -2.188 -4.058 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.778 -4.566 -3.952 1.00 50.00 C ATOM 0 H VAL A 32 2.091 -4.513 -3.863 1.00 50.00 H new ATOM 0 HA VAL A 32 3.474 -2.143 -2.582 1.00 50.00 H new ATOM 0 HB VAL A 32 4.081 -3.099 -5.368 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.383 -2.487 -4.668 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.237 -1.171 -4.319 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.806 -2.227 -3.004 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.629 -4.863 -4.565 1.00 50.00 H new ATOM 0 HG22 VAL A 32 5.057 -4.607 -2.899 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.945 -5.245 -4.134 1.00 50.00 H new ATOM 472 N ILE A 33 1.914 -0.658 -3.759 1.00 50.00 N ATOM 473 CA ILE A 33 1.005 0.265 -4.498 1.00 50.00 C ATOM 474 C ILE A 33 1.761 1.538 -4.883 1.00 50.00 C ATOM 475 O ILE A 33 2.670 1.961 -4.198 1.00 50.00 O ATOM 476 CB ILE A 33 -0.123 0.583 -3.517 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.170 1.458 -4.212 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.445 1.333 -2.310 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.516 0.731 -4.221 1.00 50.00 C ATOM 0 H ILE A 33 2.254 -0.307 -2.864 1.00 50.00 H new ATOM 0 HA ILE A 33 0.624 -0.174 -5.420 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.586 -0.346 -3.183 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.263 2.413 -3.694 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -0.856 1.678 -5.232 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.360 1.560 -1.611 1.00 50.00 H new ATOM 0 HG22 ILE A 33 1.192 0.713 -1.815 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.908 2.262 -2.644 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.262 1.353 -4.715 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.416 -0.212 -4.758 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.830 0.534 -3.196 1.00 50.00 H new ATOM 491 N GLU A 34 1.397 2.150 -5.976 1.00 50.00 N ATOM 492 CA GLU A 34 2.107 3.391 -6.400 1.00 50.00 C ATOM 493 C GLU A 34 1.108 4.527 -6.637 1.00 50.00 C ATOM 494 O GLU A 34 0.416 4.560 -7.635 1.00 50.00 O ATOM 495 CB GLU A 34 2.813 3.013 -7.702 1.00 50.00 C ATOM 496 CG GLU A 34 3.789 4.124 -8.095 1.00 50.00 C ATOM 497 CD GLU A 34 3.092 5.105 -9.038 1.00 50.00 C ATOM 498 OE1 GLU A 34 3.129 4.873 -10.234 1.00 50.00 O ATOM 499 OE2 GLU A 34 2.532 6.071 -8.547 1.00 50.00 O ATOM 0 H GLU A 34 0.642 1.847 -6.592 1.00 50.00 H new ATOM 0 HA GLU A 34 2.806 3.745 -5.642 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.348 2.072 -7.578 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.080 2.861 -8.495 1.00 50.00 H new ATOM 0 HG2 GLU A 34 4.140 4.646 -7.205 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.666 3.697 -8.581 1.00 50.00 H new ATOM 506 N LEU A 35 1.038 5.464 -5.732 1.00 50.00 N ATOM 507 CA LEU A 35 0.095 6.608 -5.905 1.00 50.00 C ATOM 508 C LEU A 35 0.875 7.920 -5.838 1.00 50.00 C ATOM 509 O LEU A 35 1.824 8.041 -5.096 1.00 50.00 O ATOM 510 CB LEU A 35 -0.890 6.512 -4.737 1.00 50.00 C ATOM 511 CG LEU A 35 -1.115 5.045 -4.368 1.00 50.00 C ATOM 512 CD1 LEU A 35 0.020 4.572 -3.458 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.450 4.906 -3.632 1.00 50.00 C ATOM 0 H LEU A 35 1.594 5.488 -4.877 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.423 6.577 -6.863 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.502 7.058 -3.877 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.837 6.977 -5.009 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.133 4.438 -5.273 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.138 3.526 -3.193 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.971 4.675 -3.980 1.00 50.00 H new ATOM 0 HD13 LEU A 35 0.036 5.177 -2.552 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.613 3.861 -3.368 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.430 5.511 -2.725 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.259 5.247 -4.278 1.00 50.00 H new ATOM 525 N SER A 36 0.489 8.903 -6.600 1.00 50.00 N ATOM 526 CA SER A 36 1.223 10.190 -6.570 1.00 50.00 C ATOM 527 C SER A 36 0.540 11.158 -5.612 1.00 50.00 C ATOM 528 O SER A 36 -0.665 11.317 -5.633 1.00 50.00 O ATOM 529 CB SER A 36 1.163 10.720 -8.003 1.00 50.00 C ATOM 530 OG SER A 36 0.215 9.964 -8.745 1.00 50.00 O ATOM 0 H SER A 36 -0.303 8.868 -7.241 1.00 50.00 H new ATOM 0 HA SER A 36 2.251 10.071 -6.226 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.884 11.774 -8.002 1.00 50.00 H new ATOM 0 HB3 SER A 36 2.146 10.651 -8.470 1.00 50.00 H new ATOM 0 HG SER A 36 0.173 10.303 -9.664 1.00 50.00 H new ATOM 536 N TYR A 37 1.290 11.809 -4.768 1.00 50.00 N ATOM 537 CA TYR A 37 0.653 12.760 -3.821 1.00 50.00 C ATOM 538 C TYR A 37 0.678 14.174 -4.408 1.00 50.00 C ATOM 539 O TYR A 37 1.666 14.875 -4.320 1.00 50.00 O ATOM 540 CB TYR A 37 1.494 12.682 -2.546 1.00 50.00 C ATOM 541 CG TYR A 37 1.253 13.915 -1.707 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.050 14.262 -1.329 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.333 14.713 -1.309 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.274 15.405 -0.553 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.109 15.856 -0.535 1.00 50.00 C ATOM 546 CZ TYR A 37 0.806 16.202 -0.156 1.00 50.00 C ATOM 547 OH TYR A 37 0.587 17.331 0.608 1.00 49.57 O ATOM 0 H TYR A 37 2.304 11.725 -4.694 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.391 12.516 -3.625 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.234 11.788 -1.980 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.551 12.602 -2.799 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.883 13.647 -1.637 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.338 14.446 -1.600 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.279 15.672 -0.261 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.942 16.472 -0.229 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.377 17.482 0.700 1.00 49.57 H new ATOM 557 N SER A 38 -0.399 14.595 -5.010 1.00 50.00 N ATOM 558 CA SER A 38 -0.437 15.954 -5.606 1.00 50.00 C ATOM 559 C SER A 38 -1.062 16.943 -4.622 1.00 50.00 C ATOM 560 O SER A 38 -2.161 17.422 -4.822 1.00 50.00 O ATOM 561 CB SER A 38 -1.304 15.816 -6.856 1.00 50.00 C ATOM 562 OG SER A 38 -2.663 15.662 -6.470 1.00 50.00 O ATOM 0 H SER A 38 -1.256 14.052 -5.114 1.00 50.00 H new ATOM 0 HA SER A 38 0.558 16.330 -5.843 1.00 50.00 H new ATOM 0 HB2 SER A 38 -1.191 16.696 -7.490 1.00 50.00 H new ATOM 0 HB3 SER A 38 -0.981 14.957 -7.444 1.00 50.00 H new ATOM 0 HG SER A 38 -2.991 16.501 -6.085 1.00 50.00 H new ATOM 568 N GLY A 39 -0.374 17.250 -3.560 1.00 99.99 N ATOM 569 CA GLY A 39 -0.932 18.204 -2.564 1.00 99.99 C ATOM 570 C GLY A 39 0.026 19.384 -2.392 1.00 99.99 C ATOM 571 O GLY A 39 1.209 19.209 -2.175 1.00 99.99 O ATOM 0 H GLY A 39 0.551 16.882 -3.338 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -1.908 18.560 -2.893 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.082 17.702 -1.608 1.00 99.99 H new ATOM 575 N SER A 40 -0.475 20.586 -2.488 1.00 99.99 N ATOM 576 CA SER A 40 0.411 21.776 -2.333 1.00 99.99 C ATOM 577 C SER A 40 0.414 22.248 -0.877 1.00 99.99 C ATOM 578 O SER A 40 0.675 23.399 -0.588 1.00 99.99 O ATOM 579 CB SER A 40 -0.197 22.845 -3.238 1.00 99.99 C ATOM 580 OG SER A 40 -1.583 22.968 -2.953 1.00 99.99 O ATOM 0 H SER A 40 -1.457 20.795 -2.667 1.00 99.99 H new ATOM 0 HA SER A 40 1.445 21.556 -2.599 1.00 99.99 H new ATOM 0 HB2 SER A 40 0.305 23.800 -3.080 1.00 99.99 H new ATOM 0 HB3 SER A 40 -0.051 22.578 -4.285 1.00 99.99 H new ATOM 0 HG SER A 40 -1.976 23.655 -3.531 1.00 99.99 H new ATOM 586 N ASP A 41 0.127 21.370 0.042 1.00 99.99 N ATOM 587 CA ASP A 41 0.116 21.773 1.477 1.00 99.99 C ATOM 588 C ASP A 41 1.437 21.379 2.144 1.00 99.99 C ATOM 589 O ASP A 41 1.656 21.636 3.311 1.00 99.99 O ATOM 590 CB ASP A 41 -1.049 21.001 2.095 1.00 99.99 C ATOM 591 CG ASP A 41 -0.677 19.523 2.217 1.00 99.99 C ATOM 592 OD1 ASP A 41 0.037 19.187 3.146 1.00 99.99 O ATOM 593 OD2 ASP A 41 -1.111 18.752 1.376 1.00 99.99 O ATOM 0 H ASP A 41 -0.100 20.392 -0.137 1.00 99.99 H new ATOM 0 HA ASP A 41 0.004 22.850 1.605 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -1.288 21.409 3.077 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -1.941 21.112 1.478 1.00 99.99 H new ATOM 598 N GLY A 42 2.320 20.758 1.409 1.00 99.99 N ATOM 599 CA GLY A 42 3.626 20.349 1.999 1.00 99.99 C ATOM 600 C GLY A 42 3.558 18.880 2.418 1.00 99.99 C ATOM 601 O GLY A 42 2.629 18.177 2.070 1.00 99.99 O ATOM 0 H GLY A 42 2.193 20.517 0.426 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.426 20.495 1.274 1.00 99.99 H new ATOM 0 HA3 GLY A 42 3.859 20.974 2.861 1.00 99.99 H new ATOM 605 N PRO A 43 4.551 18.464 3.155 1.00 99.99 N ATOM 606 CA PRO A 43 4.609 17.062 3.630 1.00 99.99 C ATOM 607 C PRO A 43 3.586 16.836 4.746 1.00 99.99 C ATOM 608 O PRO A 43 3.206 17.751 5.449 1.00 99.99 O ATOM 609 CB PRO A 43 6.034 16.918 4.152 1.00 99.99 C ATOM 610 CG PRO A 43 6.466 18.305 4.502 1.00 99.99 C ATOM 611 CD PRO A 43 5.702 19.252 3.611 1.00 99.99 C ATOM 0 HA PRO A 43 4.374 16.334 2.854 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.070 16.263 5.023 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.687 16.481 3.397 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.263 18.517 5.552 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.540 18.421 4.355 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.385 20.142 4.154 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.311 19.590 2.773 1.00 99.99 H new ATOM 619 N CYS A 44 3.130 15.625 4.904 1.00 50.00 N ATOM 620 CA CYS A 44 2.121 15.337 5.963 1.00 50.00 C ATOM 621 C CYS A 44 1.929 13.825 6.106 1.00 50.00 C ATOM 622 O CYS A 44 2.257 13.064 5.217 1.00 50.00 O ATOM 623 CB CYS A 44 0.832 15.974 5.449 1.00 50.00 C ATOM 624 SG CYS A 44 0.166 17.132 6.673 1.00 50.00 S ATOM 0 H CYS A 44 3.413 14.820 4.345 1.00 50.00 H new ATOM 0 HA CYS A 44 2.420 15.723 6.938 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.026 16.497 4.512 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.096 15.199 5.235 1.00 50.00 H new ATOM 629 N LYS A 45 1.384 13.382 7.205 1.00 50.00 N ATOM 630 CA LYS A 45 1.156 11.919 7.378 1.00 50.00 C ATOM 631 C LYS A 45 -0.056 11.493 6.543 1.00 50.00 C ATOM 632 O LYS A 45 -1.084 12.140 6.556 1.00 50.00 O ATOM 633 CB LYS A 45 0.875 11.722 8.871 1.00 50.00 C ATOM 634 CG LYS A 45 1.841 12.569 9.705 1.00 50.00 C ATOM 635 CD LYS A 45 3.277 12.325 9.238 1.00 50.00 C ATOM 636 CE LYS A 45 3.977 13.669 9.032 1.00 50.00 C ATOM 637 NZ LYS A 45 4.927 13.786 10.174 1.00 50.00 N ATOM 0 H LYS A 45 1.088 13.966 7.987 1.00 50.00 H new ATOM 0 HA LYS A 45 2.008 11.323 7.053 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.154 12.003 9.095 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.982 10.670 9.133 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.591 13.625 9.607 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.744 12.315 10.761 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.816 11.731 9.976 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.278 11.755 8.309 1.00 50.00 H new ATOM 0 HE2 LYS A 45 4.502 13.699 8.077 1.00 50.00 H new ATOM 0 HE3 LYS A 45 3.261 14.491 9.028 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 5.446 14.684 10.103 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 4.398 13.761 11.069 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.601 12.994 10.148 1.00 50.00 H new ATOM 651 N ILE A 46 0.051 10.416 5.814 1.00 50.00 N ATOM 652 CA ILE A 46 -1.104 9.967 4.980 1.00 50.00 C ATOM 653 C ILE A 46 -2.007 9.032 5.789 1.00 50.00 C ATOM 654 O ILE A 46 -1.645 7.907 6.072 1.00 50.00 O ATOM 655 CB ILE A 46 -0.484 9.228 3.791 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.748 9.991 3.297 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.507 9.139 2.657 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.441 9.183 2.197 1.00 50.00 C ATOM 0 H ILE A 46 0.883 9.829 5.759 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.724 10.802 4.653 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.192 8.225 4.103 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.454 10.969 2.915 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.437 10.165 4.124 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.066 8.613 1.810 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.387 8.597 3.003 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.797 10.144 2.349 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.318 9.726 1.845 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.748 8.216 2.595 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.751 9.031 1.367 1.00 50.00 H new ATOM 670 N PRO A 47 -3.159 9.540 6.140 1.00 50.00 N ATOM 671 CA PRO A 47 -4.134 8.751 6.931 1.00 50.00 C ATOM 672 C PRO A 47 -4.812 7.693 6.055 1.00 50.00 C ATOM 673 O PRO A 47 -5.733 7.982 5.315 1.00 50.00 O ATOM 674 CB PRO A 47 -5.142 9.797 7.398 1.00 50.00 C ATOM 675 CG PRO A 47 -5.051 10.904 6.395 1.00 50.00 C ATOM 676 CD PRO A 47 -3.653 10.886 5.833 1.00 50.00 C ATOM 0 HA PRO A 47 -3.674 8.207 7.756 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.150 9.383 7.437 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -4.904 10.153 8.400 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.786 10.765 5.602 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.265 11.865 6.863 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.653 11.075 4.760 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.029 11.653 6.292 1.00 50.00 H new ATOM 684 N ILE A 48 -4.366 6.469 6.135 1.00 50.00 N ATOM 685 CA ILE A 48 -4.987 5.394 5.309 1.00 50.00 C ATOM 686 C ILE A 48 -5.415 4.224 6.200 1.00 50.00 C ATOM 687 O ILE A 48 -4.822 3.964 7.227 1.00 50.00 O ATOM 688 CB ILE A 48 -3.892 4.953 4.339 1.00 50.00 C ATOM 689 CG1 ILE A 48 -3.731 6.006 3.242 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.282 3.615 3.706 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.272 6.459 3.183 1.00 50.00 C ATOM 0 H ILE A 48 -3.599 6.167 6.736 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.878 5.740 4.786 1.00 50.00 H new ATOM 0 HB ILE A 48 -2.951 4.841 4.878 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -4.034 5.594 2.280 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -4.380 6.858 3.443 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.502 3.299 3.014 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.400 2.864 4.487 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.222 3.728 3.166 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -2.155 7.210 2.401 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -1.985 6.887 4.143 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -1.634 5.603 2.962 1.00 50.00 H new ATOM 703 N VAL A 49 -6.440 3.519 5.810 1.00 50.00 N ATOM 704 CA VAL A 49 -6.907 2.366 6.632 1.00 50.00 C ATOM 705 C VAL A 49 -7.027 1.115 5.758 1.00 50.00 C ATOM 706 O VAL A 49 -7.623 1.142 4.699 1.00 50.00 O ATOM 707 CB VAL A 49 -8.277 2.789 7.161 1.00 50.00 C ATOM 708 CG1 VAL A 49 -9.137 3.299 6.003 1.00 50.00 C ATOM 709 CG2 VAL A 49 -8.964 1.588 7.814 1.00 50.00 C ATOM 0 H VAL A 49 -6.975 3.690 4.958 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.218 2.123 7.441 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.152 3.583 7.898 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -10.114 3.601 6.381 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -8.649 4.154 5.536 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -9.262 2.506 5.266 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -9.941 1.889 8.192 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -9.088 0.795 7.077 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -8.353 1.224 8.639 1.00 50.00 H new ATOM 719 N SER A 50 -6.468 0.020 6.191 1.00 50.00 N ATOM 720 CA SER A 50 -6.553 -1.230 5.383 1.00 50.00 C ATOM 721 C SER A 50 -7.358 -2.286 6.140 1.00 50.00 C ATOM 722 O SER A 50 -6.892 -2.861 7.105 1.00 50.00 O ATOM 723 CB SER A 50 -5.106 -1.685 5.200 1.00 50.00 C ATOM 724 OG SER A 50 -4.839 -1.856 3.815 1.00 50.00 O ATOM 0 H SER A 50 -5.956 -0.064 7.069 1.00 50.00 H new ATOM 0 HA SER A 50 -7.051 -1.073 4.426 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.425 -0.948 5.625 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.937 -2.621 5.733 1.00 50.00 H new ATOM 0 HG SER A 50 -4.161 -2.554 3.696 1.00 50.00 H new ATOM 730 N VAL A 51 -8.564 -2.544 5.718 1.00 50.00 N ATOM 731 CA VAL A 51 -9.393 -3.558 6.424 1.00 50.00 C ATOM 732 C VAL A 51 -10.040 -4.519 5.424 1.00 50.00 C ATOM 733 O VAL A 51 -10.115 -4.249 4.241 1.00 50.00 O ATOM 734 CB VAL A 51 -10.461 -2.760 7.172 1.00 50.00 C ATOM 735 CG1 VAL A 51 -11.062 -3.631 8.274 1.00 50.00 C ATOM 736 CG2 VAL A 51 -9.825 -1.516 7.798 1.00 50.00 C ATOM 0 H VAL A 51 -9.010 -2.098 4.917 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.795 -4.168 7.101 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.243 -2.457 6.476 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -11.824 -3.065 8.810 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -11.513 -4.519 7.831 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -10.278 -3.931 8.969 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -10.587 -0.947 8.331 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -9.044 -1.819 8.495 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -9.391 -0.895 7.014 1.00 50.00 H new ATOM 746 N ALA A 52 -10.506 -5.640 5.897 1.00 50.00 N ATOM 747 CA ALA A 52 -11.149 -6.637 4.992 1.00 50.00 C ATOM 748 C ALA A 52 -12.310 -5.994 4.229 1.00 50.00 C ATOM 749 O ALA A 52 -12.777 -4.927 4.572 1.00 50.00 O ATOM 750 CB ALA A 52 -11.662 -7.738 5.921 1.00 50.00 C ATOM 0 H ALA A 52 -10.470 -5.912 6.879 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.456 -7.022 4.244 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -12.151 -8.514 5.331 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -10.825 -8.172 6.468 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.377 -7.315 6.627 1.00 50.00 H new ATOM 756 N SER A 53 -12.766 -6.633 3.187 1.00 50.00 N ATOM 757 CA SER A 53 -13.889 -6.061 2.392 1.00 50.00 C ATOM 758 C SER A 53 -15.123 -5.855 3.274 1.00 50.00 C ATOM 759 O SER A 53 -15.630 -6.780 3.876 1.00 50.00 O ATOM 760 CB SER A 53 -14.174 -7.099 1.308 1.00 50.00 C ATOM 761 OG SER A 53 -15.566 -7.103 1.016 1.00 50.00 O ATOM 0 H SER A 53 -12.409 -7.528 2.851 1.00 50.00 H new ATOM 0 HA SER A 53 -13.638 -5.087 1.972 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.603 -6.869 0.409 1.00 50.00 H new ATOM 0 HB3 SER A 53 -13.858 -8.087 1.642 1.00 50.00 H new ATOM 0 HG SER A 53 -15.752 -7.767 0.320 1.00 50.00 H new ATOM 767 N LEU A 54 -15.608 -4.641 3.347 1.00 50.00 N ATOM 768 CA LEU A 54 -16.816 -4.362 4.181 1.00 50.00 C ATOM 769 C LEU A 54 -16.437 -4.207 5.658 1.00 50.00 C ATOM 770 O LEU A 54 -17.224 -4.482 6.541 1.00 50.00 O ATOM 771 CB LEU A 54 -17.746 -5.562 3.983 1.00 50.00 C ATOM 772 CG LEU A 54 -19.185 -5.070 3.816 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.681 -5.410 2.409 1.00 50.00 C ATOM 774 CD2 LEU A 54 -20.081 -5.756 4.851 1.00 50.00 C ATOM 0 H LEU A 54 -15.219 -3.831 2.865 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.297 -3.430 3.885 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -17.441 -6.131 3.105 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.677 -6.234 4.838 1.00 50.00 H new ATOM 0 HG LEU A 54 -19.219 -3.990 3.962 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.706 -5.059 2.290 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -19.043 -4.924 1.671 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.647 -6.490 2.262 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -21.107 -5.406 4.733 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -20.046 -6.835 4.704 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -19.729 -5.515 5.854 1.00 50.00 H new ATOM 786 N ASN A 55 -15.246 -3.748 5.934 1.00 50.00 N ATOM 787 CA ASN A 55 -14.835 -3.555 7.353 1.00 50.00 C ATOM 788 C ASN A 55 -14.187 -2.178 7.528 1.00 50.00 C ATOM 789 O ASN A 55 -12.982 -2.038 7.486 1.00 50.00 O ATOM 790 CB ASN A 55 -13.821 -4.666 7.625 1.00 50.00 C ATOM 791 CG ASN A 55 -14.529 -6.021 7.608 1.00 50.00 C ATOM 792 OD1 ASN A 55 -14.715 -6.610 6.561 1.00 50.00 O ATOM 793 ND2 ASN A 55 -14.936 -6.546 8.732 1.00 50.00 N ATOM 0 H ASN A 55 -14.542 -3.499 5.239 1.00 50.00 H new ATOM 0 HA ASN A 55 -15.679 -3.599 8.041 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.034 -4.646 6.872 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.342 -4.507 8.591 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.409 -7.449 8.731 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.780 -6.053 9.611 1.00 50.00 H new ATOM 800 N ASP A 56 -14.979 -1.159 7.723 1.00 50.00 N ATOM 801 CA ASP A 56 -14.406 0.208 7.899 1.00 50.00 C ATOM 802 C ASP A 56 -14.511 0.645 9.363 1.00 50.00 C ATOM 803 O ASP A 56 -14.417 1.814 9.677 1.00 50.00 O ATOM 804 CB ASP A 56 -15.258 1.112 7.008 1.00 50.00 C ATOM 805 CG ASP A 56 -15.340 0.514 5.601 1.00 50.00 C ATOM 806 OD1 ASP A 56 -14.593 -0.410 5.328 1.00 50.00 O ATOM 807 OD2 ASP A 56 -16.149 0.991 4.823 1.00 50.00 O ATOM 0 H ASP A 56 -15.997 -1.213 7.768 1.00 50.00 H new ATOM 0 HA ASP A 56 -13.350 0.249 7.632 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.258 1.217 7.429 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -14.824 2.111 6.965 1.00 50.00 H new ATOM 812 N MET A 57 -14.708 -0.282 10.260 1.00 50.00 N ATOM 813 CA MET A 57 -14.821 0.091 11.700 1.00 50.00 C ATOM 814 C MET A 57 -13.807 -0.694 12.538 1.00 50.00 C ATOM 815 O MET A 57 -13.620 -0.430 13.709 1.00 50.00 O ATOM 816 CB MET A 57 -16.248 -0.289 12.097 1.00 50.00 C ATOM 817 CG MET A 57 -17.243 0.415 11.174 1.00 50.00 C ATOM 818 SD MET A 57 -18.931 -0.010 11.672 1.00 50.00 S ATOM 819 CE MET A 57 -19.702 1.568 11.235 1.00 50.00 C ATOM 0 H MET A 57 -14.795 -1.278 10.060 1.00 50.00 H new ATOM 0 HA MET A 57 -14.616 1.149 11.866 1.00 50.00 H new ATOM 0 HB2 MET A 57 -16.379 -1.369 12.032 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.435 -0.007 13.133 1.00 50.00 H new ATOM 0 HG2 MET A 57 -17.099 1.494 11.222 1.00 50.00 H new ATOM 0 HG3 MET A 57 -17.071 0.116 10.140 1.00 50.00 H new ATOM 0 HE1 MET A 57 -20.767 1.528 11.464 1.00 50.00 H new ATOM 0 HE2 MET A 57 -19.238 2.371 11.808 1.00 50.00 H new ATOM 0 HE3 MET A 57 -19.566 1.757 10.170 1.00 50.00 H new ATOM 829 N THR A 58 -13.153 -1.657 11.951 1.00 50.00 N ATOM 830 CA THR A 58 -12.156 -2.455 12.723 1.00 50.00 C ATOM 831 C THR A 58 -10.885 -2.663 11.897 1.00 50.00 C ATOM 832 O THR A 58 -10.946 -2.823 10.695 1.00 50.00 O ATOM 833 CB THR A 58 -12.845 -3.793 12.992 1.00 50.00 C ATOM 834 OG1 THR A 58 -14.250 -3.638 12.847 1.00 50.00 O ATOM 835 CG2 THR A 58 -12.525 -4.254 14.415 1.00 50.00 C ATOM 0 H THR A 58 -13.264 -1.927 10.974 1.00 50.00 H new ATOM 0 HA THR A 58 -11.855 -1.957 13.645 1.00 50.00 H new ATOM 0 HB THR A 58 -12.486 -4.537 12.281 1.00 50.00 H new ATOM 0 HG1 THR A 58 -14.693 -4.495 13.018 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.016 -5.208 14.607 1.00 50.00 H new ATOM 0 HG22 THR A 58 -11.447 -4.372 14.526 1.00 50.00 H new ATOM 0 HG23 THR A 58 -12.884 -3.511 15.127 1.00 50.00 H new ATOM 843 N PRO A 59 -9.772 -2.656 12.577 1.00 50.00 N ATOM 844 CA PRO A 59 -8.468 -2.850 11.901 1.00 50.00 C ATOM 845 C PRO A 59 -8.288 -4.319 11.509 1.00 50.00 C ATOM 846 O PRO A 59 -8.392 -5.207 12.332 1.00 50.00 O ATOM 847 CB PRO A 59 -7.451 -2.441 12.961 1.00 50.00 C ATOM 848 CG PRO A 59 -8.146 -2.644 14.270 1.00 50.00 C ATOM 849 CD PRO A 59 -9.625 -2.469 14.024 1.00 50.00 C ATOM 0 HA PRO A 59 -8.370 -2.274 10.981 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -6.548 -3.049 12.896 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -7.146 -1.402 12.834 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -7.937 -3.638 14.666 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -7.792 -1.925 15.009 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.211 -3.199 14.582 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -9.967 -1.482 14.335 1.00 50.00 H new ATOM 857 N VAL A 60 -8.016 -4.583 10.261 1.00 50.00 N ATOM 858 CA VAL A 60 -7.829 -5.996 9.825 1.00 50.00 C ATOM 859 C VAL A 60 -6.664 -6.092 8.842 1.00 50.00 C ATOM 860 O VAL A 60 -5.911 -7.045 8.839 1.00 50.00 O ATOM 861 CB VAL A 60 -9.142 -6.382 9.145 1.00 50.00 C ATOM 862 CG1 VAL A 60 -9.007 -7.774 8.525 1.00 50.00 C ATOM 863 CG2 VAL A 60 -10.268 -6.394 10.181 1.00 50.00 C ATOM 0 H VAL A 60 -7.915 -3.884 9.525 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.597 -6.659 10.659 1.00 50.00 H new ATOM 0 HB VAL A 60 -9.372 -5.657 8.364 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.944 -8.049 8.040 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -8.205 -7.767 7.787 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.776 -8.499 9.305 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -11.205 -6.669 9.697 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -10.036 -7.119 10.962 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.366 -5.403 10.624 1.00 50.00 H new ATOM 873 N GLY A 61 -6.512 -5.103 8.014 1.00 50.00 N ATOM 874 CA GLY A 61 -5.394 -5.116 7.030 1.00 50.00 C ATOM 875 C GLY A 61 -4.103 -4.694 7.736 1.00 50.00 C ATOM 876 O GLY A 61 -4.134 -4.113 8.802 1.00 50.00 O ATOM 0 H GLY A 61 -7.115 -4.281 7.974 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -5.281 -6.112 6.602 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.611 -4.438 6.205 1.00 50.00 H new ATOM 880 N ARG A 62 -2.967 -4.986 7.162 1.00 50.00 N ATOM 881 CA ARG A 62 -1.686 -4.602 7.822 1.00 50.00 C ATOM 882 C ARG A 62 -0.838 -3.737 6.886 1.00 50.00 C ATOM 883 O ARG A 62 -0.989 -3.776 5.683 1.00 50.00 O ATOM 884 CB ARG A 62 -0.980 -5.926 8.117 1.00 50.00 C ATOM 885 CG ARG A 62 -1.925 -6.846 8.892 1.00 50.00 C ATOM 886 CD ARG A 62 -1.447 -6.969 10.340 1.00 50.00 C ATOM 887 NE ARG A 62 -2.587 -6.481 11.164 1.00 50.00 N ATOM 888 CZ ARG A 62 -2.564 -6.625 12.461 1.00 50.00 C ATOM 889 NH1 ARG A 62 -1.460 -6.982 13.057 1.00 50.00 N ATOM 890 NH2 ARG A 62 -3.644 -6.410 13.161 1.00 50.00 N ATOM 0 H ARG A 62 -2.870 -5.471 6.270 1.00 50.00 H new ATOM 0 HA ARG A 62 -1.850 -4.016 8.726 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.674 -6.403 7.186 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.074 -5.746 8.696 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -2.939 -6.448 8.866 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -1.956 -7.830 8.424 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -1.195 -8.000 10.586 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -0.551 -6.372 10.512 1.00 50.00 H new ATOM 0 HE ARG A 62 -3.386 -6.034 10.715 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -0.616 -7.148 12.509 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -1.441 -7.095 14.071 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -4.507 -6.129 12.695 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -3.626 -6.523 14.175 1.00 50.00 H new ATOM 904 N LEU A 63 0.054 -2.956 7.433 1.00 50.00 N ATOM 905 CA LEU A 63 0.915 -2.091 6.574 1.00 50.00 C ATOM 906 C LEU A 63 2.342 -2.645 6.539 1.00 50.00 C ATOM 907 O LEU A 63 2.914 -2.978 7.557 1.00 50.00 O ATOM 908 CB LEU A 63 0.887 -0.714 7.240 1.00 50.00 C ATOM 909 CG LEU A 63 -0.413 0.003 6.876 1.00 50.00 C ATOM 910 CD1 LEU A 63 -1.018 0.634 8.132 1.00 50.00 C ATOM 911 CD2 LEU A 63 -0.119 1.099 5.848 1.00 50.00 C ATOM 0 H LEU A 63 0.224 -2.879 8.436 1.00 50.00 H new ATOM 0 HA LEU A 63 0.564 -2.048 5.543 1.00 50.00 H new ATOM 0 HB2 LEU A 63 0.965 -0.820 8.322 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.744 -0.124 6.915 1.00 50.00 H new ATOM 0 HG LEU A 63 -1.117 -0.714 6.454 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.945 1.145 7.872 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -1.226 -0.144 8.866 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -0.314 1.351 8.554 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -1.045 1.611 5.587 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.585 1.815 6.271 1.00 50.00 H new ATOM 0 HD23 LEU A 63 0.313 0.652 4.953 1.00 50.00 H new ATOM 923 N VAL A 64 2.921 -2.749 5.373 1.00 50.00 N ATOM 924 CA VAL A 64 4.309 -3.285 5.273 1.00 50.00 C ATOM 925 C VAL A 64 5.292 -2.361 5.994 1.00 50.00 C ATOM 926 O VAL A 64 6.404 -2.743 6.305 1.00 50.00 O ATOM 927 CB VAL A 64 4.610 -3.320 3.775 1.00 50.00 C ATOM 928 CG1 VAL A 64 6.116 -3.485 3.560 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.873 -4.499 3.134 1.00 50.00 C ATOM 0 H VAL A 64 2.493 -2.486 4.485 1.00 50.00 H new ATOM 0 HA VAL A 64 4.404 -4.268 5.735 1.00 50.00 H new ATOM 0 HB VAL A 64 4.277 -2.389 3.317 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.330 -3.510 2.492 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.643 -2.647 4.016 1.00 50.00 H new ATOM 0 HG13 VAL A 64 6.449 -4.416 4.019 1.00 50.00 H new ATOM 0 HG21 VAL A 64 4.087 -4.525 2.066 1.00 50.00 H new ATOM 0 HG22 VAL A 64 4.206 -5.430 3.593 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.800 -4.383 3.286 1.00 50.00 H new ATOM 939 N THR A 65 4.895 -1.148 6.261 1.00 50.00 N ATOM 940 CA THR A 65 5.811 -0.202 6.959 1.00 50.00 C ATOM 941 C THR A 65 5.010 0.745 7.854 1.00 50.00 C ATOM 942 O THR A 65 3.801 0.827 7.762 1.00 50.00 O ATOM 943 CB THR A 65 6.506 0.575 5.838 1.00 50.00 C ATOM 944 OG1 THR A 65 7.644 1.244 6.363 1.00 50.00 O ATOM 945 CG2 THR A 65 5.537 1.601 5.247 1.00 50.00 C ATOM 0 H THR A 65 3.977 -0.771 6.026 1.00 50.00 H new ATOM 0 HA THR A 65 6.526 -0.716 7.602 1.00 50.00 H new ATOM 0 HB THR A 65 6.819 -0.117 5.056 1.00 50.00 H new ATOM 0 HG1 THR A 65 8.091 1.741 5.646 1.00 50.00 H new ATOM 0 HG21 THR A 65 6.034 2.153 4.449 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.664 1.087 4.844 1.00 50.00 H new ATOM 0 HG23 THR A 65 5.222 2.295 6.026 1.00 50.00 H new ATOM 953 N VAL A 66 5.672 1.463 8.719 1.00 50.00 N ATOM 954 CA VAL A 66 4.945 2.404 9.617 1.00 50.00 C ATOM 955 C VAL A 66 3.947 3.236 8.807 1.00 50.00 C ATOM 956 O VAL A 66 3.910 3.172 7.594 1.00 50.00 O ATOM 957 CB VAL A 66 6.032 3.299 10.214 1.00 50.00 C ATOM 958 CG1 VAL A 66 5.428 4.172 11.315 1.00 50.00 C ATOM 959 CG2 VAL A 66 7.140 2.425 10.810 1.00 50.00 C ATOM 0 H VAL A 66 6.684 1.439 8.843 1.00 50.00 H new ATOM 0 HA VAL A 66 4.376 1.886 10.389 1.00 50.00 H new ATOM 0 HB VAL A 66 6.448 3.935 9.433 1.00 50.00 H new ATOM 0 HG11 VAL A 66 6.203 4.810 11.740 1.00 50.00 H new ATOM 0 HG12 VAL A 66 4.637 4.793 10.894 1.00 50.00 H new ATOM 0 HG13 VAL A 66 5.012 3.536 12.097 1.00 50.00 H new ATOM 0 HG21 VAL A 66 7.916 3.061 11.236 1.00 50.00 H new ATOM 0 HG22 VAL A 66 6.722 1.790 11.591 1.00 50.00 H new ATOM 0 HG23 VAL A 66 7.572 1.801 10.027 1.00 50.00 H new ATOM 969 N ASN A 67 3.135 4.015 9.468 1.00 50.00 N ATOM 970 CA ASN A 67 2.139 4.849 8.735 1.00 50.00 C ATOM 971 C ASN A 67 2.810 5.563 7.557 1.00 50.00 C ATOM 972 O ASN A 67 3.910 6.063 7.678 1.00 50.00 O ATOM 973 CB ASN A 67 1.636 5.864 9.764 1.00 50.00 C ATOM 974 CG ASN A 67 2.804 6.342 10.629 1.00 50.00 C ATOM 975 OD1 ASN A 67 3.864 6.649 10.123 1.00 50.00 O ATOM 976 ND2 ASN A 67 2.654 6.419 11.923 1.00 50.00 N ATOM 0 H ASN A 67 3.118 4.110 10.483 1.00 50.00 H new ATOM 0 HA ASN A 67 1.326 4.252 8.322 1.00 50.00 H new ATOM 0 HB2 ASN A 67 1.175 6.712 9.258 1.00 50.00 H new ATOM 0 HB3 ASN A 67 0.868 5.411 10.391 1.00 50.00 H new ATOM 0 HD21 ASN A 67 3.427 6.737 12.508 1.00 50.00 H new ATOM 0 HD22 ASN A 67 1.764 6.161 12.349 1.00 50.00 H new ATOM 983 N PRO A 68 2.116 5.586 6.450 1.00 50.00 N ATOM 984 CA PRO A 68 2.645 6.242 5.230 1.00 50.00 C ATOM 985 C PRO A 68 2.585 7.766 5.375 1.00 50.00 C ATOM 986 O PRO A 68 1.539 8.370 5.251 1.00 50.00 O ATOM 987 CB PRO A 68 1.703 5.766 4.130 1.00 50.00 C ATOM 988 CG PRO A 68 0.427 5.424 4.832 1.00 50.00 C ATOM 989 CD PRO A 68 0.787 5.004 6.234 1.00 50.00 C ATOM 0 HA PRO A 68 3.687 5.995 5.029 1.00 50.00 H new ATOM 0 HB2 PRO A 68 1.546 6.543 3.382 1.00 50.00 H new ATOM 0 HB3 PRO A 68 2.111 4.900 3.609 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.245 6.282 4.848 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.095 4.621 4.312 1.00 50.00 H new ATOM 0 HD2 PRO A 68 0.065 5.378 6.960 1.00 50.00 H new ATOM 0 HD3 PRO A 68 0.806 3.919 6.333 1.00 50.00 H new ATOM 997 N PHE A 69 3.698 8.391 5.641 1.00 50.00 N ATOM 998 CA PHE A 69 3.706 9.868 5.798 1.00 50.00 C ATOM 999 C PHE A 69 4.509 10.522 4.672 1.00 50.00 C ATOM 1000 O PHE A 69 5.600 10.098 4.348 1.00 50.00 O ATOM 1001 CB PHE A 69 4.387 10.108 7.145 1.00 50.00 C ATOM 1002 CG PHE A 69 5.585 9.200 7.282 1.00 50.00 C ATOM 1003 CD1 PHE A 69 6.776 9.505 6.613 1.00 50.00 C ATOM 1004 CD2 PHE A 69 5.506 8.052 8.079 1.00 50.00 C ATOM 1005 CE1 PHE A 69 7.888 8.663 6.741 1.00 50.00 C ATOM 1006 CE2 PHE A 69 6.616 7.210 8.208 1.00 50.00 C ATOM 1007 CZ PHE A 69 7.808 7.515 7.539 1.00 50.00 C ATOM 0 H PHE A 69 4.605 7.939 5.756 1.00 50.00 H new ATOM 0 HA PHE A 69 2.703 10.294 5.757 1.00 50.00 H new ATOM 0 HB2 PHE A 69 4.698 11.150 7.225 1.00 50.00 H new ATOM 0 HB3 PHE A 69 3.684 9.922 7.957 1.00 50.00 H new ATOM 0 HD1 PHE A 69 6.838 10.390 5.998 1.00 50.00 H new ATOM 0 HD2 PHE A 69 4.587 7.816 8.595 1.00 50.00 H new ATOM 0 HE1 PHE A 69 8.807 8.899 6.225 1.00 50.00 H new ATOM 0 HE2 PHE A 69 6.554 6.325 8.824 1.00 50.00 H new ATOM 0 HZ PHE A 69 8.665 6.865 7.638 1.00 50.00 H new ATOM 1017 N VAL A 70 3.982 11.558 4.078 1.00 50.00 N ATOM 1018 CA VAL A 70 4.725 12.240 2.981 1.00 50.00 C ATOM 1019 C VAL A 70 5.651 13.307 3.571 1.00 50.00 C ATOM 1020 O VAL A 70 5.530 14.479 3.277 1.00 50.00 O ATOM 1021 CB VAL A 70 3.650 12.887 2.110 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.308 13.591 0.922 1.00 50.00 C ATOM 1023 CG2 VAL A 70 2.692 11.810 1.596 1.00 50.00 C ATOM 0 H VAL A 70 3.072 11.960 4.304 1.00 50.00 H new ATOM 0 HA VAL A 70 5.346 11.551 2.408 1.00 50.00 H new ATOM 0 HB VAL A 70 3.096 13.615 2.702 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.540 14.052 0.301 1.00 50.00 H new ATOM 0 HG12 VAL A 70 4.990 14.359 1.286 1.00 50.00 H new ATOM 0 HG13 VAL A 70 4.864 12.864 0.330 1.00 50.00 H new ATOM 0 HG21 VAL A 70 1.925 12.272 0.974 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.247 11.081 1.006 1.00 50.00 H new ATOM 0 HG23 VAL A 70 2.221 11.309 2.441 1.00 50.00 H new ATOM 1033 N ALA A 71 6.573 12.909 4.403 1.00 50.00 N ATOM 1034 CA ALA A 71 7.506 13.900 5.014 1.00 50.00 C ATOM 1035 C ALA A 71 8.719 14.105 4.107 1.00 50.00 C ATOM 1036 O ALA A 71 9.848 13.907 4.509 1.00 50.00 O ATOM 1037 CB ALA A 71 7.929 13.277 6.345 1.00 50.00 C ATOM 0 H ALA A 71 6.722 11.941 4.687 1.00 50.00 H new ATOM 0 HA ALA A 71 7.042 14.877 5.152 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.619 13.947 6.858 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.049 13.116 6.968 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.421 12.322 6.160 1.00 50.00 H new ATOM 1043 N THR A 72 8.495 14.498 2.884 1.00 50.00 N ATOM 1044 CA THR A 72 9.637 14.712 1.951 1.00 50.00 C ATOM 1045 C THR A 72 9.363 15.909 1.037 1.00 50.00 C ATOM 1046 O THR A 72 8.261 16.418 0.977 1.00 50.00 O ATOM 1047 CB THR A 72 9.727 13.421 1.133 1.00 50.00 C ATOM 1048 OG1 THR A 72 8.863 12.444 1.695 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.166 12.905 1.152 1.00 50.00 C ATOM 0 H THR A 72 7.572 14.680 2.490 1.00 50.00 H new ATOM 0 HA THR A 72 10.565 14.927 2.480 1.00 50.00 H new ATOM 0 HB THR A 72 9.428 13.620 0.104 1.00 50.00 H new ATOM 0 HG1 THR A 72 8.919 11.618 1.171 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.231 11.986 0.570 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.827 13.656 0.720 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.467 12.705 2.180 1.00 50.00 H new ATOM 1057 N SER A 73 10.356 16.356 0.319 1.00 50.00 N ATOM 1058 CA SER A 73 10.150 17.513 -0.598 1.00 50.00 C ATOM 1059 C SER A 73 9.886 17.011 -2.019 1.00 50.00 C ATOM 1060 O SER A 73 9.562 17.774 -2.908 1.00 50.00 O ATOM 1061 CB SER A 73 11.457 18.305 -0.543 1.00 50.00 C ATOM 1062 OG SER A 73 12.466 17.505 0.059 1.00 50.00 O ATOM 0 H SER A 73 11.300 15.971 0.327 1.00 50.00 H new ATOM 0 HA SER A 73 9.295 18.124 -0.309 1.00 50.00 H new ATOM 0 HB2 SER A 73 11.761 18.598 -1.548 1.00 50.00 H new ATOM 0 HB3 SER A 73 11.316 19.223 0.028 1.00 50.00 H new ATOM 0 HG SER A 73 13.306 18.009 0.094 1.00 50.00 H new ATOM 1068 N SER A 74 10.021 15.731 -2.239 1.00 99.99 N ATOM 1069 CA SER A 74 9.778 15.177 -3.602 1.00 99.99 C ATOM 1070 C SER A 74 8.666 14.126 -3.556 1.00 99.99 C ATOM 1071 O SER A 74 8.455 13.391 -4.501 1.00 99.99 O ATOM 1072 CB SER A 74 11.103 14.537 -4.012 1.00 99.99 C ATOM 1073 OG SER A 74 11.467 14.999 -5.307 1.00 99.99 O ATOM 0 H SER A 74 10.289 15.045 -1.534 1.00 99.99 H new ATOM 0 HA SER A 74 9.460 15.944 -4.308 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.881 14.790 -3.291 1.00 99.99 H new ATOM 0 HB3 SER A 74 11.011 13.451 -4.013 1.00 99.99 H new ATOM 0 HG SER A 74 12.318 14.592 -5.573 1.00 99.99 H new ATOM 1079 N ALA A 75 7.949 14.052 -2.468 1.00 99.99 N ATOM 1080 CA ALA A 75 6.848 13.051 -2.371 1.00 99.99 C ATOM 1081 C ALA A 75 5.631 13.532 -3.159 1.00 99.99 C ATOM 1082 O ALA A 75 4.577 12.928 -3.122 1.00 99.99 O ATOM 1083 CB ALA A 75 6.514 12.961 -0.883 1.00 99.99 C ATOM 0 H ALA A 75 8.077 14.639 -1.644 1.00 99.99 H new ATOM 0 HA ALA A 75 7.137 12.083 -2.781 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.709 12.241 -0.734 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.397 12.638 -0.331 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.197 13.939 -0.521 1.00 99.99 H new ATOM 1089 N ASN A 76 5.769 14.611 -3.877 1.00 99.99 N ATOM 1090 CA ASN A 76 4.628 15.126 -4.668 1.00 99.99 C ATOM 1091 C ASN A 76 4.576 14.404 -6.011 1.00 99.99 C ATOM 1092 O ASN A 76 3.972 14.870 -6.958 1.00 99.99 O ATOM 1093 CB ASN A 76 4.916 16.614 -4.863 1.00 99.99 C ATOM 1094 CG ASN A 76 4.202 17.418 -3.775 1.00 99.99 C ATOM 1095 OD1 ASN A 76 3.025 17.694 -3.882 1.00 99.99 O ATOM 1096 ND2 ASN A 76 4.871 17.807 -2.724 1.00 99.99 N ATOM 0 H ASN A 76 6.628 15.157 -3.947 1.00 99.99 H new ATOM 0 HA ASN A 76 3.668 14.967 -4.176 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.990 16.796 -4.819 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.578 16.935 -5.848 1.00 99.99 H new ATOM 0 HD21 ASN A 76 4.405 18.343 -1.992 1.00 99.99 H new ATOM 0 HD22 ASN A 76 5.860 17.575 -2.634 1.00 99.99 H new ATOM 1103 N SER A 77 5.206 13.264 -6.100 1.00 99.99 N ATOM 1104 CA SER A 77 5.195 12.511 -7.376 1.00 99.99 C ATOM 1105 C SER A 77 4.588 11.133 -7.139 1.00 99.99 C ATOM 1106 O SER A 77 4.085 10.844 -6.068 1.00 99.99 O ATOM 1107 CB SER A 77 6.662 12.393 -7.783 1.00 99.99 C ATOM 1108 OG SER A 77 7.124 13.656 -8.244 1.00 99.99 O ATOM 0 H SER A 77 5.727 12.825 -5.341 1.00 99.99 H new ATOM 0 HA SER A 77 4.606 13.000 -8.152 1.00 99.99 H new ATOM 0 HB2 SER A 77 7.261 12.061 -6.935 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.775 11.643 -8.566 1.00 99.99 H new ATOM 0 HG SER A 77 8.066 13.585 -8.505 1.00 99.99 H new ATOM 1114 N LYS A 78 4.632 10.275 -8.118 1.00 99.99 N ATOM 1115 CA LYS A 78 4.063 8.917 -7.925 1.00 99.99 C ATOM 1116 C LYS A 78 4.850 8.197 -6.831 1.00 99.99 C ATOM 1117 O LYS A 78 5.807 7.498 -7.098 1.00 99.99 O ATOM 1118 CB LYS A 78 4.242 8.212 -9.269 1.00 99.99 C ATOM 1119 CG LYS A 78 3.085 8.577 -10.199 1.00 99.99 C ATOM 1120 CD LYS A 78 3.606 8.718 -11.630 1.00 99.99 C ATOM 1121 CE LYS A 78 2.483 9.224 -12.538 1.00 99.99 C ATOM 1122 NZ LYS A 78 2.940 10.564 -13.001 1.00 99.99 N ATOM 0 H LYS A 78 5.035 10.455 -9.038 1.00 99.99 H new ATOM 0 HA LYS A 78 3.016 8.936 -7.622 1.00 99.99 H new ATOM 0 HB2 LYS A 78 5.190 8.504 -9.720 1.00 99.99 H new ATOM 0 HB3 LYS A 78 4.277 7.132 -9.123 1.00 99.99 H new ATOM 0 HG2 LYS A 78 2.313 7.808 -10.156 1.00 99.99 H new ATOM 0 HG3 LYS A 78 2.624 9.510 -9.875 1.00 99.99 H new ATOM 0 HD2 LYS A 78 4.447 9.411 -11.655 1.00 99.99 H new ATOM 0 HD3 LYS A 78 3.973 7.757 -11.990 1.00 99.99 H new ATOM 0 HE2 LYS A 78 2.320 8.550 -13.379 1.00 99.99 H new ATOM 0 HE3 LYS A 78 1.539 9.293 -11.998 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 2.222 10.977 -13.630 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 3.080 11.186 -12.179 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 3.837 10.465 -13.518 1.00 99.99 H new ATOM 1136 N VAL A 79 4.455 8.364 -5.600 1.00 99.99 N ATOM 1137 CA VAL A 79 5.175 7.695 -4.492 1.00 99.99 C ATOM 1138 C VAL A 79 4.777 6.215 -4.449 1.00 99.99 C ATOM 1139 O VAL A 79 3.896 5.786 -5.167 1.00 99.99 O ATOM 1140 CB VAL A 79 4.703 8.426 -3.237 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.891 9.933 -3.424 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.222 8.126 -2.993 1.00 99.99 C ATOM 0 H VAL A 79 3.661 8.938 -5.317 1.00 99.99 H new ATOM 0 HA VAL A 79 6.259 7.731 -4.597 1.00 99.99 H new ATOM 0 HB VAL A 79 5.287 8.088 -2.381 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.554 10.456 -2.529 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.945 10.150 -3.596 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.307 10.269 -4.281 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.888 8.649 -2.097 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.637 8.462 -3.849 1.00 99.99 H new ATOM 0 HG23 VAL A 79 3.085 7.053 -2.859 1.00 99.99 H new ATOM 1152 N LEU A 80 5.412 5.425 -3.625 1.00 50.00 N ATOM 1153 CA LEU A 80 5.047 3.978 -3.571 1.00 50.00 C ATOM 1154 C LEU A 80 4.904 3.499 -2.123 1.00 50.00 C ATOM 1155 O LEU A 80 5.766 3.720 -1.296 1.00 50.00 O ATOM 1156 CB LEU A 80 6.200 3.250 -4.260 1.00 50.00 C ATOM 1157 CG LEU A 80 5.640 2.240 -5.262 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.743 1.824 -6.238 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.133 1.007 -4.509 1.00 50.00 C ATOM 0 H LEU A 80 6.159 5.713 -2.993 1.00 50.00 H new ATOM 0 HA LEU A 80 4.089 3.788 -4.055 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.843 3.967 -4.771 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.816 2.740 -3.520 1.00 50.00 H new ATOM 0 HG LEU A 80 4.818 2.693 -5.816 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.344 1.104 -6.952 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.106 2.702 -6.772 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.565 1.369 -5.685 1.00 50.00 H new ATOM 0 HD21 LEU A 80 4.733 0.285 -5.221 1.00 50.00 H new ATOM 0 HD22 LEU A 80 5.956 0.554 -3.956 1.00 50.00 H new ATOM 0 HD23 LEU A 80 4.348 1.303 -3.813 1.00 50.00 H new ATOM 1171 N VAL A 81 3.820 2.838 -1.818 1.00 50.00 N ATOM 1172 CA VAL A 81 3.613 2.332 -0.431 1.00 50.00 C ATOM 1173 C VAL A 81 3.461 0.807 -0.448 1.00 50.00 C ATOM 1174 O VAL A 81 3.300 0.202 -1.489 1.00 50.00 O ATOM 1175 CB VAL A 81 2.317 2.992 0.043 1.00 50.00 C ATOM 1176 CG1 VAL A 81 2.345 3.135 1.564 1.00 50.00 C ATOM 1177 CG2 VAL A 81 2.181 4.378 -0.597 1.00 50.00 C ATOM 0 H VAL A 81 3.067 2.626 -2.472 1.00 50.00 H new ATOM 0 HA VAL A 81 4.452 2.565 0.225 1.00 50.00 H new ATOM 0 HB VAL A 81 1.469 2.373 -0.250 1.00 50.00 H new ATOM 0 HG11 VAL A 81 1.422 3.605 1.902 1.00 50.00 H new ATOM 0 HG12 VAL A 81 2.439 2.150 2.020 1.00 50.00 H new ATOM 0 HG13 VAL A 81 3.195 3.752 1.856 1.00 50.00 H new ATOM 0 HG21 VAL A 81 1.257 4.846 -0.258 1.00 50.00 H new ATOM 0 HG22 VAL A 81 3.030 4.998 -0.307 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.160 4.277 -1.682 1.00 50.00 H new ATOM 1187 N GLU A 82 3.508 0.182 0.696 1.00 50.00 N ATOM 1188 CA GLU A 82 3.362 -1.303 0.744 1.00 50.00 C ATOM 1189 C GLU A 82 2.364 -1.701 1.837 1.00 50.00 C ATOM 1190 O GLU A 82 2.244 -1.042 2.851 1.00 50.00 O ATOM 1191 CB GLU A 82 4.760 -1.829 1.076 1.00 50.00 C ATOM 1192 CG GLU A 82 5.716 -1.498 -0.072 1.00 50.00 C ATOM 1193 CD GLU A 82 6.583 -2.719 -0.382 1.00 50.00 C ATOM 1194 OE1 GLU A 82 6.118 -3.825 -0.156 1.00 50.00 O ATOM 1195 OE2 GLU A 82 7.698 -2.529 -0.840 1.00 50.00 O ATOM 0 H GLU A 82 3.641 0.634 1.601 1.00 50.00 H new ATOM 0 HA GLU A 82 2.986 -1.712 -0.194 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.118 -1.380 2.003 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.726 -2.907 1.236 1.00 50.00 H new ATOM 0 HG2 GLU A 82 5.151 -1.206 -0.957 1.00 50.00 H new ATOM 0 HG3 GLU A 82 6.346 -0.651 0.198 1.00 50.00 H new ATOM 1202 N MET A 83 1.644 -2.774 1.637 1.00 50.00 N ATOM 1203 CA MET A 83 0.653 -3.208 2.666 1.00 50.00 C ATOM 1204 C MET A 83 0.547 -4.736 2.694 1.00 50.00 C ATOM 1205 O MET A 83 0.619 -5.392 1.673 1.00 50.00 O ATOM 1206 CB MET A 83 -0.671 -2.587 2.221 1.00 50.00 C ATOM 1207 CG MET A 83 -1.153 -1.596 3.282 1.00 50.00 C ATOM 1208 SD MET A 83 -1.499 0.000 2.503 1.00 50.00 S ATOM 1209 CE MET A 83 -3.268 -0.262 2.227 1.00 50.00 C ATOM 0 H MET A 83 1.699 -3.367 0.809 1.00 50.00 H new ATOM 0 HA MET A 83 0.937 -2.894 3.671 1.00 50.00 H new ATOM 0 HB2 MET A 83 -0.543 -2.079 1.265 1.00 50.00 H new ATOM 0 HB3 MET A 83 -1.418 -3.366 2.070 1.00 50.00 H new ATOM 0 HG2 MET A 83 -2.050 -1.977 3.770 1.00 50.00 H new ATOM 0 HG3 MET A 83 -0.395 -1.478 4.056 1.00 50.00 H new ATOM 0 HE1 MET A 83 -3.591 0.318 1.362 1.00 50.00 H new ATOM 0 HE2 MET A 83 -3.455 -1.320 2.045 1.00 50.00 H new ATOM 0 HE3 MET A 83 -3.825 0.058 3.107 1.00 50.00 H new ATOM 1219 N GLU A 84 0.378 -5.310 3.854 1.00 50.00 N ATOM 1220 CA GLU A 84 0.270 -6.784 3.950 1.00 50.00 C ATOM 1221 C GLU A 84 -1.099 -7.186 4.510 1.00 50.00 C ATOM 1222 O GLU A 84 -1.195 -7.689 5.612 1.00 50.00 O ATOM 1223 CB GLU A 84 1.387 -7.212 4.905 1.00 50.00 C ATOM 1224 CG GLU A 84 1.661 -6.104 5.926 1.00 50.00 C ATOM 1225 CD GLU A 84 2.355 -6.701 7.153 1.00 50.00 C ATOM 1226 OE1 GLU A 84 1.654 -7.140 8.050 1.00 50.00 O ATOM 1227 OE2 GLU A 84 3.575 -6.708 7.175 1.00 50.00 O ATOM 0 H GLU A 84 0.310 -4.813 4.742 1.00 50.00 H new ATOM 0 HA GLU A 84 0.365 -7.262 2.975 1.00 50.00 H new ATOM 0 HB2 GLU A 84 1.104 -8.130 5.420 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.294 -7.430 4.341 1.00 50.00 H new ATOM 0 HG2 GLU A 84 2.288 -5.331 5.481 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.726 -5.626 6.220 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.115 -6.953 3.723 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.495 -7.299 4.139 1.00 50.00 C ATOM 1236 C PRO A 85 -3.706 -8.815 4.077 1.00 50.00 C ATOM 1237 O PRO A 85 -2.962 -9.520 3.424 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.368 -6.587 3.110 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.498 -6.435 1.902 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.073 -6.351 2.386 1.00 50.00 C ATOM 0 HA PRO A 85 -3.722 -7.001 5.163 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.262 -7.167 2.882 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.703 -5.618 3.480 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.626 -7.281 1.227 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.768 -5.539 1.344 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.395 -6.892 1.726 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.725 -5.319 2.424 1.00 50.00 H new ATOM 1248 N PRO A 86 -4.722 -9.264 4.763 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.041 -10.712 4.790 1.00 50.00 C ATOM 1250 C PRO A 86 -5.650 -11.151 3.454 1.00 50.00 C ATOM 1251 O PRO A 86 -6.350 -10.399 2.804 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.063 -10.831 5.917 1.00 50.00 C ATOM 1253 CG PRO A 86 -6.690 -9.476 6.018 1.00 50.00 C ATOM 1254 CD PRO A 86 -5.657 -8.474 5.571 1.00 50.00 C ATOM 0 HA PRO A 86 -4.165 -11.341 4.946 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -6.808 -11.595 5.695 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -5.585 -11.115 6.854 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.580 -9.416 5.392 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.006 -9.273 7.041 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.107 -7.670 4.989 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.157 -8.010 6.421 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.388 -12.360 3.040 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.954 -12.842 1.744 1.00 50.00 C ATOM 1264 C PHE A 87 -7.470 -12.631 1.722 1.00 50.00 C ATOM 1265 O PHE A 87 -8.160 -12.921 2.680 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.622 -14.336 1.682 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.318 -14.598 2.395 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -3.204 -13.795 2.128 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.228 -15.634 3.331 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -1.998 -14.029 2.796 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.022 -15.867 4.001 1.00 50.00 C ATOM 1272 CZ PHE A 87 -1.906 -15.064 3.734 1.00 50.00 C ATOM 0 H PHE A 87 -4.809 -13.035 3.540 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.540 -12.302 0.892 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.422 -14.915 2.143 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.551 -14.660 0.644 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -3.275 -12.995 1.406 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.089 -16.253 3.536 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -1.137 -13.411 2.588 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -2.952 -16.666 4.724 1.00 50.00 H new ATOM 0 HZ PHE A 87 -0.975 -15.243 4.251 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.993 -12.130 0.637 1.00 50.00 N ATOM 1283 CA GLY A 88 -9.463 -11.902 0.556 1.00 50.00 C ATOM 1284 C GLY A 88 -9.735 -10.441 0.198 1.00 50.00 C ATOM 1285 O GLY A 88 -8.861 -9.600 0.275 1.00 50.00 O ATOM 0 H GLY A 88 -7.466 -11.869 -0.196 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.903 -12.559 -0.195 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.933 -12.147 1.509 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.940 -10.129 -0.194 1.00 50.00 N ATOM 1290 CA ASP A 89 -11.266 -8.720 -0.557 1.00 50.00 C ATOM 1291 C ASP A 89 -11.083 -7.805 0.657 1.00 50.00 C ATOM 1292 O ASP A 89 -11.497 -8.124 1.754 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.731 -8.754 -0.993 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.853 -9.510 -2.316 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -11.828 -9.775 -2.921 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -13.971 -9.811 -2.703 1.00 50.00 O ATOM 0 H ASP A 89 -11.713 -10.789 -0.279 1.00 50.00 H new ATOM 0 HA ASP A 89 -10.617 -8.333 -1.343 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -13.338 -9.239 -0.228 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -13.111 -7.739 -1.106 1.00 50.00 H new ATOM 1301 N SER A 90 -10.465 -6.672 0.469 1.00 50.00 N ATOM 1302 CA SER A 90 -10.255 -5.736 1.612 1.00 50.00 C ATOM 1303 C SER A 90 -10.659 -4.316 1.211 1.00 50.00 C ATOM 1304 O SER A 90 -10.482 -3.907 0.082 1.00 50.00 O ATOM 1305 CB SER A 90 -8.757 -5.803 1.908 1.00 50.00 C ATOM 1306 OG SER A 90 -8.260 -7.078 1.520 1.00 50.00 O ATOM 0 H SER A 90 -10.096 -6.353 -0.427 1.00 50.00 H new ATOM 0 HA SER A 90 -10.855 -6.004 2.482 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.232 -5.015 1.368 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.576 -5.637 2.970 1.00 50.00 H new ATOM 0 HG SER A 90 -7.789 -6.999 0.664 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.199 -3.557 2.126 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.608 -2.165 1.785 1.00 50.00 C ATOM 1314 C TYR A 91 -10.557 -1.173 2.285 1.00 50.00 C ATOM 1315 O TYR A 91 -10.361 -1.008 3.475 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.939 -1.951 2.506 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.076 -2.340 1.590 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -13.863 -3.275 0.569 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.341 -1.768 1.760 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -14.915 -3.637 -0.280 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.394 -2.130 0.911 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.181 -3.064 -0.108 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.218 -3.421 -0.946 1.00 49.57 O ATOM 0 H TYR A 91 -11.374 -3.839 3.090 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.703 -2.013 0.710 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.971 -2.548 3.417 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -13.039 -0.908 2.805 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -12.886 -3.717 0.437 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.506 -1.047 2.547 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -14.751 -4.358 -1.067 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -17.371 -1.688 1.043 1.00 50.00 H new ATOM 0 HH TYR A 91 -18.028 -2.933 -0.690 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.875 -0.513 1.390 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.836 0.464 1.822 1.00 50.00 C ATOM 1335 C ILE A 92 -9.308 1.893 1.541 1.00 50.00 C ATOM 1336 O ILE A 92 -9.763 2.204 0.460 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.603 0.130 0.982 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -7.005 -1.196 1.462 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -6.563 1.240 1.136 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -7.606 -2.350 0.657 1.00 50.00 C ATOM 0 H ILE A 92 -9.992 -0.607 0.381 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.628 0.402 2.890 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.890 0.044 -0.066 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -5.922 -1.182 1.344 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -7.208 -1.335 2.524 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -5.684 1.001 0.537 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -6.987 2.185 0.797 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -6.275 1.326 2.184 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -7.180 -3.293 0.999 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -8.687 -2.368 0.798 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -7.380 -2.212 -0.400 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.207 2.764 2.507 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.657 4.170 2.288 1.00 50.00 C ATOM 1354 C VAL A 93 -8.524 5.150 2.607 1.00 50.00 C ATOM 1355 O VAL A 93 -8.042 5.217 3.720 1.00 50.00 O ATOM 1356 CB VAL A 93 -10.823 4.365 3.258 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.238 5.838 3.268 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -12.008 3.507 2.811 1.00 50.00 C ATOM 0 H VAL A 93 -8.834 2.565 3.435 1.00 50.00 H new ATOM 0 HA VAL A 93 -9.948 4.353 1.254 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.514 4.066 4.260 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.069 5.977 3.959 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -10.395 6.451 3.586 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -11.546 6.136 2.266 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.839 3.646 3.502 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.316 3.806 1.809 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.715 2.457 2.803 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.098 5.915 1.638 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.002 6.894 1.886 1.00 50.00 C ATOM 1370 C VAL A 94 -7.587 8.299 2.054 1.00 50.00 C ATOM 1371 O VAL A 94 -7.806 9.009 1.092 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.120 6.826 0.639 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -4.851 7.648 0.865 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -5.741 5.369 0.361 1.00 50.00 C ATOM 0 H VAL A 94 -8.462 5.904 0.685 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.440 6.669 2.793 1.00 50.00 H new ATOM 0 HB VAL A 94 -6.666 7.229 -0.214 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -4.223 7.599 -0.024 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -5.120 8.686 1.063 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.304 7.246 1.718 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.112 5.320 -0.528 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.195 4.966 1.214 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.645 4.782 0.199 1.00 50.00 H new ATOM 1384 N GLY A 95 -7.847 8.705 3.268 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.422 10.062 3.488 1.00 50.00 C ATOM 1386 C GLY A 95 -8.096 10.539 4.904 1.00 50.00 C ATOM 1387 O GLY A 95 -7.610 9.790 5.727 1.00 50.00 O ATOM 0 H GLY A 95 -7.687 8.157 4.113 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.017 10.761 2.757 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.502 10.038 3.342 1.00 50.00 H new ATOM 1391 N MET A 96 -8.367 11.783 5.196 1.00 50.00 N ATOM 1392 CA MET A 96 -8.080 12.311 6.560 1.00 50.00 C ATOM 1393 C MET A 96 -9.392 12.624 7.285 1.00 50.00 C ATOM 1394 O MET A 96 -9.472 12.573 8.496 1.00 50.00 O ATOM 1395 CB MET A 96 -7.275 13.590 6.332 1.00 50.00 C ATOM 1396 CG MET A 96 -8.141 14.616 5.598 1.00 50.00 C ATOM 1397 SD MET A 96 -7.395 16.258 5.751 1.00 50.00 S ATOM 1398 CE MET A 96 -6.091 16.029 4.518 1.00 50.00 C ATOM 0 H MET A 96 -8.775 12.456 4.548 1.00 50.00 H new ATOM 0 HA MET A 96 -7.535 11.595 7.176 1.00 50.00 H new ATOM 0 HB2 MET A 96 -6.941 13.997 7.287 1.00 50.00 H new ATOM 0 HB3 MET A 96 -6.381 13.370 5.749 1.00 50.00 H new ATOM 0 HG2 MET A 96 -8.233 14.344 4.547 1.00 50.00 H new ATOM 0 HG3 MET A 96 -9.148 14.622 6.015 1.00 50.00 H new ATOM 0 HE1 MET A 96 -5.138 16.359 4.931 1.00 50.00 H new ATOM 0 HE2 MET A 96 -6.025 14.974 4.250 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.324 16.615 3.629 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.421 12.950 6.550 1.00 50.00 N ATOM 1409 CA GLY A 97 -11.728 13.268 7.192 1.00 50.00 C ATOM 1410 C GLY A 97 -12.692 13.822 6.141 1.00 50.00 C ATOM 1411 O GLY A 97 -13.732 13.252 5.879 1.00 50.00 O ATOM 0 H GLY A 97 -10.412 13.010 5.532 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -12.148 12.372 7.650 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -11.585 13.997 7.990 1.00 50.00 H new ATOM 1415 N ASP A 98 -12.357 14.929 5.538 1.00 50.00 N ATOM 1416 CA ASP A 98 -13.257 15.519 4.505 1.00 50.00 C ATOM 1417 C ASP A 98 -13.380 14.573 3.305 1.00 50.00 C ATOM 1418 O ASP A 98 -14.005 13.535 3.385 1.00 50.00 O ATOM 1419 CB ASP A 98 -12.585 16.831 4.097 1.00 50.00 C ATOM 1420 CG ASP A 98 -13.451 17.549 3.060 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -14.521 17.046 2.760 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -13.029 18.591 2.584 1.00 50.00 O ATOM 0 H ASP A 98 -11.499 15.451 5.715 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.268 15.682 4.880 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -12.444 17.467 4.971 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -11.596 16.632 3.685 1.00 50.00 H new ATOM 1427 N LYS A 99 -12.791 14.922 2.192 1.00 50.00 N ATOM 1428 CA LYS A 99 -12.880 14.042 0.996 1.00 50.00 C ATOM 1429 C LYS A 99 -11.882 12.886 1.115 1.00 50.00 C ATOM 1430 O LYS A 99 -10.709 13.089 1.358 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.521 14.943 -0.186 1.00 50.00 C ATOM 1432 CG LYS A 99 -12.697 14.169 -1.494 1.00 50.00 C ATOM 1433 CD LYS A 99 -14.160 13.747 -1.645 1.00 50.00 C ATOM 1434 CE LYS A 99 -14.720 14.306 -2.955 1.00 50.00 C ATOM 1435 NZ LYS A 99 -15.374 15.590 -2.578 1.00 50.00 N ATOM 0 H LYS A 99 -12.253 15.779 2.062 1.00 50.00 H new ATOM 0 HA LYS A 99 -13.868 13.597 0.883 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -13.157 15.828 -0.187 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -11.492 15.290 -0.093 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -12.397 14.789 -2.339 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -12.052 13.290 -1.499 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -14.239 12.660 -1.638 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -14.744 14.114 -0.801 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -13.928 14.466 -3.686 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -15.434 13.616 -3.405 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -15.782 16.033 -3.425 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -16.128 15.405 -1.886 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -14.669 16.229 -2.159 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.339 11.675 0.950 1.00 0.00 N ATOM 1450 CA GLN A 100 -11.417 10.509 1.057 1.00 0.00 C ATOM 1451 C GLN A 100 -11.689 9.513 -0.075 1.00 0.00 C ATOM 1452 O GLN A 100 -12.790 9.401 -0.571 1.00 0.00 O ATOM 1453 CB GLN A 100 -11.708 9.885 2.425 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.219 9.806 2.648 1.00 0.00 C ATOM 1455 CD GLN A 100 -13.814 8.797 1.671 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -13.602 7.607 1.801 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -14.555 9.223 0.690 1.00 0.00 N ATOM 0 H GLN A 100 -13.311 11.443 0.746 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.370 10.801 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.270 8.888 2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.246 10.480 3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.433 9.507 3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.673 10.786 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.733 10.222 0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.958 8.558 0.030 1.00 0.00 H new ATOM 1466 N ILE A 101 -10.687 8.799 -0.500 1.00 0.00 N ATOM 1467 CA ILE A 101 -10.886 7.817 -1.605 1.00 0.00 C ATOM 1468 C ILE A 101 -10.955 6.395 -1.042 1.00 0.00 C ATOM 1469 O ILE A 101 -10.342 6.085 -0.040 1.00 0.00 O ATOM 1470 CB ILE A 101 -9.661 7.981 -2.505 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -8.407 7.551 -1.741 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -9.526 9.447 -2.921 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -7.188 7.656 -2.661 1.00 0.00 C ATOM 0 H ILE A 101 -9.737 8.851 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.815 7.988 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.777 7.360 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.269 8.182 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.519 6.527 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.653 9.564 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -10.419 9.755 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.410 10.068 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.294 7.350 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.327 7.006 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.073 8.687 -2.997 1.00 0.00 H new ATOM 1485 N ASN A 102 -11.698 5.530 -1.676 1.00 0.00 N ATOM 1486 CA ASN A 102 -11.804 4.131 -1.170 1.00 0.00 C ATOM 1487 C ASN A 102 -11.603 3.133 -2.314 1.00 0.00 C ATOM 1488 O ASN A 102 -12.040 3.352 -3.426 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.223 4.023 -0.608 1.00 0.00 C ATOM 1490 CG ASN A 102 -14.234 4.384 -1.697 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -14.468 3.611 -2.605 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -14.848 5.534 -1.645 1.00 0.00 N ATOM 0 H ASN A 102 -12.235 5.730 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.047 3.906 -0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.407 3.011 -0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.339 4.691 0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.524 5.784 -2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.652 6.183 -0.883 1.00 0.00 H new ATOM 1499 N HIS A 103 -10.943 2.039 -2.047 1.00 0.00 N ATOM 1500 CA HIS A 103 -10.713 1.024 -3.115 1.00 0.00 C ATOM 1501 C HIS A 103 -11.151 -0.361 -2.631 1.00 0.00 C ATOM 1502 O HIS A 103 -11.384 -0.575 -1.457 1.00 0.00 O ATOM 1503 CB HIS A 103 -9.206 1.051 -3.369 1.00 0.00 C ATOM 1504 CG HIS A 103 -8.903 2.001 -4.494 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -9.846 2.892 -4.984 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -7.767 2.214 -5.235 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -9.265 3.592 -5.975 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -7.998 3.219 -6.170 1.00 0.00 N ATOM 0 H HIS A 103 -10.553 1.804 -1.134 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.283 1.239 -4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.680 1.361 -2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.851 0.051 -3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.835 1.682 -5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.763 4.363 -6.544 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.341 3.590 -6.856 1.00 0.00 H new ATOM 1516 N HIS A 104 -11.263 -1.302 -3.527 1.00 0.00 N ATOM 1517 CA HIS A 104 -11.686 -2.673 -3.122 1.00 0.00 C ATOM 1518 C HIS A 104 -10.587 -3.687 -3.448 1.00 0.00 C ATOM 1519 O HIS A 104 -10.598 -4.319 -4.487 1.00 0.00 O ATOM 1520 CB HIS A 104 -12.943 -2.958 -3.946 1.00 0.00 C ATOM 1521 CG HIS A 104 -12.585 -3.009 -5.408 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -12.592 -4.193 -6.128 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -12.208 -2.032 -6.295 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -12.229 -3.901 -7.391 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -11.983 -2.597 -7.546 1.00 0.00 N ATOM 0 H HIS A 104 -11.080 -1.181 -4.523 1.00 0.00 H new ATOM 0 HA HIS A 104 -11.875 -2.747 -2.051 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.387 -3.904 -3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -13.689 -2.183 -3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -12.102 -0.984 -6.058 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -12.147 -4.632 -8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -11.693 -2.118 -8.399 1.00 0.00 H new ATOM 1533 N TRP A 105 -9.639 -3.852 -2.568 1.00 0.00 N ATOM 1534 CA TRP A 105 -8.541 -4.827 -2.825 1.00 0.00 C ATOM 1535 C TRP A 105 -9.121 -6.147 -3.340 1.00 0.00 C ATOM 1536 O TRP A 105 -9.940 -6.771 -2.693 1.00 0.00 O ATOM 1537 CB TRP A 105 -7.864 -5.028 -1.466 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.193 -6.364 -1.428 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -7.824 -7.543 -1.217 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -5.782 -6.680 -1.602 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -6.890 -8.562 -1.249 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -5.617 -8.081 -1.484 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -4.641 -5.897 -1.849 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -4.364 -8.683 -1.608 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -3.378 -6.499 -1.973 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -3.241 -7.890 -1.853 1.00 0.00 C ATOM 0 H TRP A 105 -9.577 -3.353 -1.680 1.00 0.00 H new ATOM 0 HA TRP A 105 -7.839 -4.473 -3.580 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.133 -4.238 -1.293 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -8.603 -4.959 -0.667 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -8.884 -7.667 -1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -7.114 -9.548 -1.115 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -4.736 -4.825 -1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.264 -9.754 -1.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -2.508 -5.888 -2.162 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.267 -8.347 -1.950 1.00 0.00 H new