USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 496 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 341 CYS SG : rot -98:sc= 0.471 USER MOD Set 1.2: A 346 CYS SG : rot 130:sc= 1.82 USER MOD Set 1.3: A 348 THR OG1 : rot 80:sc= 1.33 USER MOD Set 1.4: A 385 CYS SG : rot -66:sc= -2.85! USER MOD Set 1.5: A 388 HIS : no HE2:sc= -0.437 K(o=0.33,f=-3.8) USER MOD Set 2.1: A 342 HIS :FLIP no HE2:sc= -1.13 F(o=-0.74,f=0.11) USER MOD Set 2.2: A 382 THR OG1 : rot 112:sc= 1.24 USER MOD Set 3.1: A 343 LYS NZ :NH3+ 140:sc= 1.19 (180deg=-0.323) USER MOD Set 3.2: A 384 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.1: A 327 CYS SG : rot -173:sc= -0.296! USER MOD Set 4.2: A 330 CYS SG : rot -64:sc= -3.68! USER MOD Set 4.3: A 338 SER OG : rot -150:sc= -0.131 USER MOD Set 4.4: A 351 HIS : no HD1:sc= -0.14 K(o=-5.9,f=-15!) USER MOD Set 4.5: A 354 CYS SG : rot -163:sc= -1.69! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot -148:sc= 0.942 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 333 LYS NZ :NH3+ -166:sc= -0.0383 (180deg=-0.26) USER MOD Single : A 340 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 345 ASN : amide:sc= -0.0479 K(o=-0.048,f=-0.56) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 353 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl 178:sc= 0 (180deg=-0.00702) USER MOD Single : A 363 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.019) USER MOD Single : A 364 MET CE :methyl -157:sc= -0.0202 (180deg=-0.131) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot 180:sc= -4! USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 0.363 8.599 -7.863 1.00 0.00 N ATOM 160 CA LEU A 325 0.006 7.662 -6.808 1.00 0.00 C ATOM 161 C LEU A 325 -1.387 7.082 -7.043 1.00 0.00 C ATOM 162 O LEU A 325 -2.115 6.772 -6.098 1.00 0.00 O ATOM 163 CB LEU A 325 0.075 8.335 -5.429 1.00 0.00 C ATOM 164 CG LEU A 325 1.481 8.459 -4.825 1.00 0.00 C ATOM 165 CD1 LEU A 325 2.336 9.457 -5.595 1.00 0.00 C ATOM 166 CD2 LEU A 325 1.396 8.857 -3.360 1.00 0.00 C ATOM 0 HA LEU A 325 0.729 6.846 -6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.357 9.333 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.551 7.771 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 325 1.960 7.483 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 325 3.324 9.518 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 325 2.434 9.130 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 325 1.863 10.438 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.401 8.941 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.887 9.817 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.839 8.099 -2.809 1.00 0.00 H new ATOM 178 N THR A 326 -1.741 6.911 -8.306 1.00 0.00 N ATOM 179 CA THR A 326 -3.016 6.318 -8.660 1.00 0.00 C ATOM 180 C THR A 326 -2.868 4.811 -8.829 1.00 0.00 C ATOM 181 O THR A 326 -2.008 4.341 -9.573 1.00 0.00 O ATOM 182 CB THR A 326 -3.571 6.911 -9.965 1.00 0.00 C ATOM 183 OG1 THR A 326 -3.415 8.336 -9.960 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.043 6.566 -10.139 1.00 0.00 C ATOM 0 H THR A 326 -1.161 7.175 -9.103 1.00 0.00 H new ATOM 0 HA THR A 326 -3.712 6.538 -7.850 1.00 0.00 H new ATOM 0 HB THR A 326 -3.011 6.482 -10.796 1.00 0.00 H new ATOM 0 HG1 THR A 326 -3.769 8.707 -10.795 1.00 0.00 H new ATOM 0 HG21 THR A 326 -5.410 6.998 -11.070 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.162 5.483 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 326 -5.613 6.970 -9.302 1.00 0.00 H new ATOM 192 N CYS A 327 -3.715 4.064 -8.140 1.00 0.00 N ATOM 193 CA CYS A 327 -3.677 2.610 -8.191 1.00 0.00 C ATOM 194 C CYS A 327 -4.361 2.100 -9.449 1.00 0.00 C ATOM 195 O CYS A 327 -5.588 2.156 -9.567 1.00 0.00 O ATOM 196 CB CYS A 327 -4.346 2.025 -6.945 1.00 0.00 C ATOM 197 SG CYS A 327 -4.695 0.249 -7.023 1.00 0.00 S ATOM 0 H CYS A 327 -4.443 4.443 -7.534 1.00 0.00 H new ATOM 0 HA CYS A 327 -2.636 2.289 -8.216 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -3.706 2.216 -6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.282 2.556 -6.771 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.381 -0.105 -5.977 1.00 0.00 H new ATOM 202 N TYR A 328 -3.562 1.602 -10.384 1.00 0.00 N ATOM 203 CA TYR A 328 -4.083 1.111 -11.655 1.00 0.00 C ATOM 204 C TYR A 328 -4.968 -0.116 -11.443 1.00 0.00 C ATOM 205 O TYR A 328 -5.883 -0.376 -12.223 1.00 0.00 O ATOM 206 CB TYR A 328 -2.941 0.790 -12.629 1.00 0.00 C ATOM 207 CG TYR A 328 -2.081 -0.393 -12.228 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.115 -0.276 -11.237 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.239 -1.628 -12.845 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.330 -1.355 -10.874 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.459 -2.708 -12.488 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.508 -2.567 -11.502 1.00 0.00 C ATOM 213 OH TYR A 328 0.264 -3.646 -11.141 1.00 0.00 O ATOM 0 H TYR A 328 -2.549 1.527 -10.287 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.693 1.901 -12.094 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.365 0.596 -13.614 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.304 1.670 -12.724 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -0.975 0.673 -10.742 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -2.985 -1.744 -13.617 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.418 -1.247 -10.103 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.593 -3.660 -12.980 1.00 0.00 H new ATOM 0 HH TYR A 328 0.413 -4.218 -11.923 1.00 0.00 H new ATOM 223 N LEU A 329 -4.700 -0.864 -10.377 1.00 0.00 N ATOM 224 CA LEU A 329 -5.527 -2.012 -10.029 1.00 0.00 C ATOM 225 C LEU A 329 -6.761 -1.554 -9.261 1.00 0.00 C ATOM 226 O LEU A 329 -6.768 -1.588 -8.020 1.00 0.00 O ATOM 227 CB LEU A 329 -4.733 -3.032 -9.209 1.00 0.00 C ATOM 228 CG LEU A 329 -3.592 -3.730 -9.952 1.00 0.00 C ATOM 229 CD1 LEU A 329 -2.792 -4.606 -9.000 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.137 -4.559 -11.107 1.00 0.00 C ATOM 0 H LEU A 329 -3.920 -0.696 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 329 -5.845 -2.498 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.320 -2.527 -8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.422 -3.792 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 329 -2.928 -2.967 -10.358 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -1.985 -5.094 -9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.371 -3.990 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.446 -5.362 -8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.312 -5.049 -11.625 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -4.822 -5.314 -10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -4.667 -3.909 -11.803 1.00 0.00 H new ATOM 242 N CYS A 330 -7.739 -1.052 -10.042 1.00 0.00 N ATOM 243 CA CYS A 330 -9.081 -0.594 -9.605 1.00 0.00 C ATOM 244 C CYS A 330 -9.338 0.828 -10.103 1.00 0.00 C ATOM 245 O CYS A 330 -10.479 1.293 -10.115 1.00 0.00 O ATOM 246 CB CYS A 330 -9.323 -0.664 -8.088 1.00 0.00 C ATOM 247 SG CYS A 330 -8.253 0.401 -7.087 1.00 0.00 S ATOM 0 H CYS A 330 -7.611 -0.948 -11.049 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.786 -1.296 -10.051 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -10.361 -0.399 -7.889 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.190 -1.696 -7.762 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.017 0.021 -7.219 1.00 0.00 H new ATOM 252 N LYS A 331 -8.255 1.514 -10.486 1.00 0.00 N ATOM 253 CA LYS A 331 -8.324 2.844 -11.089 1.00 0.00 C ATOM 254 C LYS A 331 -8.713 3.854 -10.019 1.00 0.00 C ATOM 255 O LYS A 331 -9.387 4.849 -10.275 1.00 0.00 O ATOM 256 CB LYS A 331 -9.307 2.859 -12.271 1.00 0.00 C ATOM 257 CG LYS A 331 -9.208 4.097 -13.151 1.00 0.00 C ATOM 258 CD LYS A 331 -10.198 4.034 -14.300 1.00 0.00 C ATOM 259 CE LYS A 331 -10.093 5.259 -15.193 1.00 0.00 C ATOM 260 NZ LYS A 331 -11.072 5.213 -16.310 1.00 0.00 N ATOM 0 H LYS A 331 -7.304 1.158 -10.385 1.00 0.00 H new ATOM 0 HA LYS A 331 -7.347 3.116 -11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -9.132 1.976 -12.885 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.323 2.782 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -9.398 4.988 -12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -8.195 4.187 -13.544 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -10.016 3.136 -14.890 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -11.211 3.956 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -10.261 6.157 -14.599 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -9.083 5.329 -15.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -10.970 6.066 -16.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -10.896 4.369 -16.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -12.037 5.172 -15.924 1.00 0.00 H new ATOM 274 N GLN A 332 -8.236 3.599 -8.813 1.00 0.00 N ATOM 275 CA GLN A 332 -8.587 4.385 -7.673 1.00 0.00 C ATOM 276 C GLN A 332 -7.329 4.769 -6.921 1.00 0.00 C ATOM 277 O GLN A 332 -6.544 3.916 -6.518 1.00 0.00 O ATOM 278 CB GLN A 332 -9.541 3.608 -6.764 1.00 0.00 C ATOM 279 CG GLN A 332 -10.866 3.266 -7.428 1.00 0.00 C ATOM 280 CD GLN A 332 -11.666 2.238 -6.651 1.00 0.00 C ATOM 281 OE1 GLN A 332 -11.493 2.215 -5.340 1.00 0.00 O flip ATOM 282 NE2 GLN A 332 -12.429 1.465 -7.227 1.00 0.00 N flip ATOM 0 H GLN A 332 -7.592 2.834 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 332 -9.096 5.291 -8.002 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -9.055 2.686 -6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -9.734 4.195 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -11.458 4.175 -7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -10.677 2.888 -8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -12.535 1.514 -8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -12.956 0.775 -6.692 1.00 0.00 H new ATOM 291 N LYS A 333 -7.135 6.059 -6.793 1.00 0.00 N ATOM 292 CA LYS A 333 -6.015 6.633 -6.040 1.00 0.00 C ATOM 293 C LYS A 333 -6.034 6.218 -4.552 1.00 0.00 C ATOM 294 O LYS A 333 -6.684 5.237 -4.180 1.00 0.00 O ATOM 295 CB LYS A 333 -6.020 8.169 -6.209 1.00 0.00 C ATOM 296 CG LYS A 333 -7.388 8.838 -6.042 1.00 0.00 C ATOM 297 CD LYS A 333 -7.876 8.826 -4.600 1.00 0.00 C ATOM 298 CE LYS A 333 -9.230 9.503 -4.461 1.00 0.00 C ATOM 299 NZ LYS A 333 -9.187 10.931 -4.881 1.00 0.00 N ATOM 0 H LYS A 333 -7.750 6.759 -7.208 1.00 0.00 H new ATOM 0 HA LYS A 333 -5.085 6.235 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -5.331 8.601 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -5.633 8.411 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -7.329 9.868 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -8.117 8.328 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -7.945 7.797 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -7.149 9.332 -3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -9.965 8.970 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -9.562 9.440 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -10.048 11.415 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -8.352 11.390 -4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -9.131 10.986 -5.918 1.00 0.00 H new ATOM 313 N GLY A 334 -5.287 6.940 -3.715 1.00 0.00 N ATOM 314 CA GLY A 334 -5.223 6.627 -2.293 1.00 0.00 C ATOM 315 C GLY A 334 -6.588 6.513 -1.638 1.00 0.00 C ATOM 316 O GLY A 334 -7.339 7.487 -1.566 1.00 0.00 O ATOM 0 H GLY A 334 -4.722 7.741 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -4.685 5.689 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -4.648 7.400 -1.784 1.00 0.00 H new ATOM 320 N VAL A 335 -6.905 5.316 -1.166 1.00 0.00 N ATOM 321 CA VAL A 335 -8.171 5.059 -0.491 1.00 0.00 C ATOM 322 C VAL A 335 -7.913 4.535 0.918 1.00 0.00 C ATOM 323 O VAL A 335 -8.455 5.047 1.896 1.00 0.00 O ATOM 324 CB VAL A 335 -9.036 4.038 -1.268 1.00 0.00 C ATOM 325 CG1 VAL A 335 -10.313 3.716 -0.507 1.00 0.00 C ATOM 326 CG2 VAL A 335 -9.367 4.555 -2.661 1.00 0.00 C ATOM 0 H VAL A 335 -6.297 4.500 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 335 -8.717 6.001 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 335 -8.456 3.121 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -10.903 2.996 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -10.060 3.292 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -10.892 4.629 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -9.976 3.819 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -9.919 5.491 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -8.444 4.725 -3.215 1.00 0.00 H new ATOM 336 N GLY A 336 -7.085 3.506 1.009 1.00 0.00 N ATOM 337 CA GLY A 336 -6.691 2.980 2.299 1.00 0.00 C ATOM 338 C GLY A 336 -5.187 2.960 2.443 1.00 0.00 C ATOM 339 O GLY A 336 -4.620 3.713 3.231 1.00 0.00 O ATOM 0 H GLY A 336 -6.677 3.024 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.127 3.588 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.084 1.970 2.419 1.00 0.00 H new ATOM 343 N ALA A 337 -4.542 2.110 1.657 1.00 0.00 N ATOM 344 CA ALA A 337 -3.091 2.027 1.641 1.00 0.00 C ATOM 345 C ALA A 337 -2.593 1.792 0.224 1.00 0.00 C ATOM 346 O ALA A 337 -3.063 0.879 -0.466 1.00 0.00 O ATOM 347 CB ALA A 337 -2.607 0.920 2.563 1.00 0.00 C ATOM 0 H ALA A 337 -5.006 1.464 1.018 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.687 2.973 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.518 0.874 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.937 1.124 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -3.018 -0.034 2.233 1.00 0.00 H new ATOM 353 N SER A 338 -1.654 2.614 -0.212 1.00 0.00 N ATOM 354 CA SER A 338 -1.127 2.513 -1.561 1.00 0.00 C ATOM 355 C SER A 338 0.384 2.301 -1.534 1.00 0.00 C ATOM 356 O SER A 338 1.120 3.055 -0.893 1.00 0.00 O ATOM 357 CB SER A 338 -1.476 3.772 -2.357 1.00 0.00 C ATOM 358 OG SER A 338 -2.870 4.045 -2.292 1.00 0.00 O ATOM 0 H SER A 338 -1.241 3.359 0.349 1.00 0.00 H new ATOM 0 HA SER A 338 -1.583 1.651 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.917 4.621 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 338 -1.175 3.645 -3.397 1.00 0.00 H new ATOM 0 HG SER A 338 -3.153 4.498 -3.114 1.00 0.00 H new ATOM 364 N ILE A 339 0.829 1.264 -2.222 1.00 0.00 N ATOM 365 CA ILE A 339 2.239 0.955 -2.342 1.00 0.00 C ATOM 366 C ILE A 339 2.687 1.223 -3.775 1.00 0.00 C ATOM 367 O ILE A 339 1.928 1.007 -4.721 1.00 0.00 O ATOM 368 CB ILE A 339 2.530 -0.516 -1.948 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.025 -0.833 -2.074 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.704 -1.477 -2.795 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.389 -2.229 -1.612 1.00 0.00 C ATOM 0 H ILE A 339 0.219 0.612 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 339 2.799 1.592 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 339 2.243 -0.647 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.327 -0.713 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.592 -0.107 -1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 339 1.925 -2.503 -2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.643 -1.276 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 339 1.952 -1.340 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.462 -2.383 -1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.119 -2.347 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 339 3.849 -2.963 -2.211 1.00 0.00 H new ATOM 383 N GLN A 340 3.900 1.719 -3.938 1.00 0.00 N ATOM 384 CA GLN A 340 4.382 2.086 -5.253 1.00 0.00 C ATOM 385 C GLN A 340 5.496 1.162 -5.720 1.00 0.00 C ATOM 386 O GLN A 340 6.513 0.997 -5.045 1.00 0.00 O ATOM 387 CB GLN A 340 4.860 3.538 -5.269 1.00 0.00 C ATOM 388 CG GLN A 340 3.995 4.444 -6.124 1.00 0.00 C ATOM 389 CD GLN A 340 4.452 5.854 -6.130 1.00 0.00 C ATOM 390 OE1 GLN A 340 5.117 6.328 -5.208 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.037 6.550 -7.146 1.00 0.00 N ATOM 0 H GLN A 340 4.564 1.876 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 340 3.547 1.982 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.876 3.920 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.885 3.572 -5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 340 3.986 4.068 -7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 340 2.968 4.403 -5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 340 3.489 6.103 -7.881 1.00 0.00 H new ATOM 0 HE22 GLN A 340 4.259 7.543 -7.209 1.00 0.00 H new ATOM 400 N CYS A 341 5.278 0.555 -6.876 1.00 0.00 N ATOM 401 CA CYS A 341 6.290 -0.248 -7.530 1.00 0.00 C ATOM 402 C CYS A 341 7.452 0.623 -7.934 1.00 0.00 C ATOM 403 O CYS A 341 7.271 1.758 -8.383 1.00 0.00 O ATOM 404 CB CYS A 341 5.738 -0.937 -8.774 1.00 0.00 C ATOM 405 SG CYS A 341 7.016 -1.563 -9.911 1.00 0.00 S ATOM 0 H CYS A 341 4.395 0.607 -7.384 1.00 0.00 H new ATOM 0 HA CYS A 341 6.615 -1.011 -6.822 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.105 -1.768 -8.464 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.101 -0.235 -9.312 1.00 0.00 H new ATOM 0 HG CYS A 341 7.201 -0.705 -10.870 1.00 0.00 H new ATOM 410 N HIS A 342 8.628 0.057 -7.824 1.00 0.00 N ATOM 411 CA HIS A 342 9.859 0.776 -8.091 1.00 0.00 C ATOM 412 C HIS A 342 11.030 -0.153 -7.826 1.00 0.00 C ATOM 413 O HIS A 342 10.849 -1.226 -7.269 1.00 0.00 O ATOM 414 CB HIS A 342 9.971 2.039 -7.214 1.00 0.00 C ATOM 415 CG HIS A 342 10.462 1.768 -5.825 1.00 0.00 C ATOM 416 ND1 HIS A 342 9.852 1.220 -4.749 1.00 0.00 N flip ATOM 417 CD2 HIS A 342 11.754 2.022 -5.440 1.00 0.00 C flip ATOM 418 CE1 HIS A 342 10.788 1.147 -3.744 1.00 0.00 C flip ATOM 419 NE2 HIS A 342 11.925 1.638 -4.198 1.00 0.00 N flip ATOM 0 H HIS A 342 8.764 -0.915 -7.547 1.00 0.00 H new ATOM 0 HA HIS A 342 9.864 1.100 -9.132 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.645 2.746 -7.696 1.00 0.00 H new ATOM 0 HB3 HIS A 342 8.994 2.518 -7.157 1.00 0.00 H new ATOM 0 HD1 HIS A 342 8.879 0.917 -4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 342 12.514 2.469 -6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 342 10.621 0.754 -2.752 1.00 0.00 H new ATOM 428 N LYS A 343 12.210 0.285 -8.210 1.00 0.00 N ATOM 429 CA LYS A 343 13.431 -0.475 -8.044 1.00 0.00 C ATOM 430 C LYS A 343 14.582 0.327 -8.632 1.00 0.00 C ATOM 431 O LYS A 343 15.489 0.758 -7.922 1.00 0.00 O ATOM 432 CB LYS A 343 13.318 -1.811 -8.765 1.00 0.00 C ATOM 433 CG LYS A 343 14.511 -2.711 -8.565 1.00 0.00 C ATOM 434 CD LYS A 343 14.337 -3.971 -9.371 1.00 0.00 C ATOM 435 CE LYS A 343 15.467 -4.955 -9.115 1.00 0.00 C ATOM 436 NZ LYS A 343 15.518 -5.392 -7.691 1.00 0.00 N ATOM 0 H LYS A 343 12.350 1.193 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 343 13.606 -0.665 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 343 12.423 -2.327 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 343 13.187 -1.628 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 343 15.422 -2.196 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 343 14.621 -2.956 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 343 13.384 -4.436 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 343 14.301 -3.724 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 343 15.340 -5.827 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 343 16.417 -4.494 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 15.735 -6.408 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 16.257 -4.858 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 14.598 -5.215 -7.240 1.00 0.00 H new ATOM 450 N ALA A 344 14.522 0.520 -9.943 1.00 0.00 N ATOM 451 CA ALA A 344 15.457 1.383 -10.644 1.00 0.00 C ATOM 452 C ALA A 344 14.700 2.446 -11.437 1.00 0.00 C ATOM 453 O ALA A 344 14.765 3.635 -11.127 1.00 0.00 O ATOM 454 CB ALA A 344 16.348 0.562 -11.567 1.00 0.00 C ATOM 0 H ALA A 344 13.825 0.083 -10.547 1.00 0.00 H new ATOM 0 HA ALA A 344 16.090 1.882 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 344 17.043 1.223 -12.085 1.00 0.00 H new ATOM 0 HB2 ALA A 344 16.909 -0.165 -10.980 1.00 0.00 H new ATOM 0 HB3 ALA A 344 15.731 0.040 -12.298 1.00 0.00 H new ATOM 460 N ASN A 345 13.962 2.002 -12.443 1.00 0.00 N ATOM 461 CA ASN A 345 13.211 2.902 -13.308 1.00 0.00 C ATOM 462 C ASN A 345 11.743 2.485 -13.407 1.00 0.00 C ATOM 463 O ASN A 345 11.366 1.680 -14.261 1.00 0.00 O ATOM 464 CB ASN A 345 13.852 2.971 -14.705 1.00 0.00 C ATOM 465 CG ASN A 345 14.324 1.620 -15.231 1.00 0.00 C ATOM 466 OD1 ASN A 345 13.753 0.569 -14.924 1.00 0.00 O ATOM 467 ND2 ASN A 345 15.388 1.638 -16.018 1.00 0.00 N ATOM 0 H ASN A 345 13.866 1.015 -12.683 1.00 0.00 H new ATOM 0 HA ASN A 345 13.244 3.896 -12.862 1.00 0.00 H new ATOM 0 HB2 ASN A 345 13.131 3.392 -15.406 1.00 0.00 H new ATOM 0 HB3 ASN A 345 14.700 3.655 -14.672 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.761 0.765 -16.391 1.00 0.00 H new ATOM 0 HD22 ASN A 345 15.835 2.525 -16.251 1.00 0.00 H new ATOM 474 N CYS A 346 10.925 3.017 -12.500 1.00 0.00 N ATOM 475 CA CYS A 346 9.491 2.740 -12.486 1.00 0.00 C ATOM 476 C CYS A 346 8.833 3.474 -11.324 1.00 0.00 C ATOM 477 O CYS A 346 9.468 3.703 -10.295 1.00 0.00 O ATOM 478 CB CYS A 346 9.225 1.234 -12.353 1.00 0.00 C ATOM 479 SG CYS A 346 7.492 0.756 -12.573 1.00 0.00 S ATOM 0 H CYS A 346 11.235 3.647 -11.760 1.00 0.00 H new ATOM 0 HA CYS A 346 9.068 3.088 -13.429 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.831 0.704 -13.088 1.00 0.00 H new ATOM 0 HB3 CYS A 346 9.558 0.905 -11.369 1.00 0.00 H new ATOM 0 HG CYS A 346 7.416 -0.219 -13.429 1.00 0.00 H new ATOM 484 N TYR A 347 7.569 3.841 -11.499 1.00 0.00 N ATOM 485 CA TYR A 347 6.798 4.498 -10.450 1.00 0.00 C ATOM 486 C TYR A 347 5.319 4.179 -10.630 1.00 0.00 C ATOM 487 O TYR A 347 4.538 5.006 -11.090 1.00 0.00 O ATOM 488 CB TYR A 347 7.035 6.010 -10.486 1.00 0.00 C ATOM 489 CG TYR A 347 7.258 6.635 -9.124 1.00 0.00 C ATOM 490 CD1 TYR A 347 7.949 5.952 -8.128 1.00 0.00 C ATOM 491 CD2 TYR A 347 6.792 7.912 -8.840 1.00 0.00 C ATOM 492 CE1 TYR A 347 8.166 6.526 -6.888 1.00 0.00 C ATOM 493 CE2 TYR A 347 7.008 8.493 -7.604 1.00 0.00 C ATOM 494 CZ TYR A 347 7.696 7.797 -6.631 1.00 0.00 C ATOM 495 OH TYR A 347 7.915 8.375 -5.398 1.00 0.00 O ATOM 0 H TYR A 347 7.052 3.693 -12.366 1.00 0.00 H new ATOM 0 HA TYR A 347 7.122 4.128 -9.477 1.00 0.00 H new ATOM 0 HB2 TYR A 347 7.901 6.216 -11.114 1.00 0.00 H new ATOM 0 HB3 TYR A 347 6.178 6.490 -10.958 1.00 0.00 H new ATOM 0 HD1 TYR A 347 8.322 4.958 -8.326 1.00 0.00 H new ATOM 0 HD2 TYR A 347 6.252 8.461 -9.597 1.00 0.00 H new ATOM 0 HE1 TYR A 347 8.701 5.981 -6.124 1.00 0.00 H new ATOM 0 HE2 TYR A 347 6.640 9.488 -7.401 1.00 0.00 H new ATOM 0 HH TYR A 347 7.520 9.272 -5.382 1.00 0.00 H new ATOM 505 N THR A 348 4.956 2.946 -10.307 1.00 0.00 N ATOM 506 CA THR A 348 3.588 2.473 -10.505 1.00 0.00 C ATOM 507 C THR A 348 2.885 2.288 -9.164 1.00 0.00 C ATOM 508 O THR A 348 3.367 1.554 -8.310 1.00 0.00 O ATOM 509 CB THR A 348 3.576 1.133 -11.267 1.00 0.00 C ATOM 510 OG1 THR A 348 4.570 1.142 -12.301 1.00 0.00 O ATOM 511 CG2 THR A 348 2.210 0.875 -11.887 1.00 0.00 C ATOM 0 H THR A 348 5.588 2.253 -9.906 1.00 0.00 H new ATOM 0 HA THR A 348 3.061 3.225 -11.092 1.00 0.00 H new ATOM 0 HB THR A 348 3.797 0.339 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 348 5.450 0.957 -11.911 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.226 -0.076 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.455 0.839 -11.102 1.00 0.00 H new ATOM 0 HG23 THR A 348 1.970 1.677 -12.585 1.00 0.00 H new ATOM 519 N ALA A 349 1.743 2.927 -8.984 1.00 0.00 N ATOM 520 CA ALA A 349 1.048 2.870 -7.707 1.00 0.00 C ATOM 521 C ALA A 349 -0.104 1.874 -7.731 1.00 0.00 C ATOM 522 O ALA A 349 -0.805 1.732 -8.735 1.00 0.00 O ATOM 523 CB ALA A 349 0.543 4.245 -7.321 1.00 0.00 C ATOM 0 H ALA A 349 1.279 3.488 -9.698 1.00 0.00 H new ATOM 0 HA ALA A 349 1.764 2.527 -6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 349 0.025 4.187 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.385 4.932 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.145 4.607 -8.084 1.00 0.00 H new ATOM 529 N PHE A 350 -0.274 1.169 -6.621 1.00 0.00 N ATOM 530 CA PHE A 350 -1.383 0.247 -6.446 1.00 0.00 C ATOM 531 C PHE A 350 -1.635 0.004 -4.965 1.00 0.00 C ATOM 532 O PHE A 350 -0.806 0.331 -4.126 1.00 0.00 O ATOM 533 CB PHE A 350 -1.145 -1.074 -7.200 1.00 0.00 C ATOM 534 CG PHE A 350 0.208 -1.705 -6.986 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.343 -1.152 -7.559 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.342 -2.863 -6.237 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.579 -1.733 -7.385 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.582 -3.448 -6.058 1.00 0.00 C ATOM 539 CZ PHE A 350 2.701 -2.883 -6.635 1.00 0.00 C ATOM 0 H PHE A 350 0.353 1.221 -5.818 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.275 0.701 -6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.912 -1.788 -6.899 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.278 -0.893 -8.267 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.256 -0.252 -8.150 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.531 -3.313 -5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.453 -1.288 -7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.675 -4.347 -5.467 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.670 -3.341 -6.499 1.00 0.00 H new ATOM 549 N HIS A 351 -2.793 -0.548 -4.641 1.00 0.00 N ATOM 550 CA HIS A 351 -3.175 -0.738 -3.246 1.00 0.00 C ATOM 551 C HIS A 351 -2.561 -2.011 -2.687 1.00 0.00 C ATOM 552 O HIS A 351 -2.289 -2.952 -3.432 1.00 0.00 O ATOM 553 CB HIS A 351 -4.695 -0.807 -3.098 1.00 0.00 C ATOM 554 CG HIS A 351 -5.412 0.453 -3.468 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.385 0.505 -4.453 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.325 1.709 -2.959 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.863 1.744 -4.519 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.238 2.489 -3.630 1.00 0.00 N ATOM 0 H HIS A 351 -3.483 -0.872 -5.319 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.801 0.119 -2.686 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -5.071 -1.620 -3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.936 -1.057 -2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.661 2.035 -2.172 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.637 2.084 -5.191 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.404 3.482 -3.466 1.00 0.00 H new ATOM 566 N VAL A 352 -2.364 -2.044 -1.375 1.00 0.00 N ATOM 567 CA VAL A 352 -1.828 -3.226 -0.709 1.00 0.00 C ATOM 568 C VAL A 352 -2.764 -4.420 -0.910 1.00 0.00 C ATOM 569 O VAL A 352 -2.316 -5.552 -1.109 1.00 0.00 O ATOM 570 CB VAL A 352 -1.613 -2.971 0.801 1.00 0.00 C ATOM 571 CG1 VAL A 352 -1.034 -4.202 1.484 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.708 -1.765 1.017 1.00 0.00 C ATOM 0 H VAL A 352 -2.568 -1.265 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.860 -3.451 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.584 -2.760 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.892 -3.997 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.720 -5.041 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 352 -0.074 -4.452 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.569 -1.601 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.259 -1.947 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -1.166 -0.882 0.572 1.00 0.00 H new ATOM 582 N THR A 353 -4.066 -4.157 -0.875 1.00 0.00 N ATOM 583 CA THR A 353 -5.061 -5.188 -1.150 1.00 0.00 C ATOM 584 C THR A 353 -4.925 -5.699 -2.587 1.00 0.00 C ATOM 585 O THR A 353 -5.073 -6.891 -2.846 1.00 0.00 O ATOM 586 CB THR A 353 -6.502 -4.677 -0.903 1.00 0.00 C ATOM 587 OG1 THR A 353 -7.453 -5.695 -1.229 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.803 -3.421 -1.714 1.00 0.00 C ATOM 0 H THR A 353 -4.457 -3.240 -0.659 1.00 0.00 H new ATOM 0 HA THR A 353 -4.874 -6.010 -0.459 1.00 0.00 H new ATOM 0 HB THR A 353 -6.581 -4.426 0.155 1.00 0.00 H new ATOM 0 HG1 THR A 353 -8.360 -5.360 -1.067 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.823 -3.094 -1.513 1.00 0.00 H new ATOM 0 HG22 THR A 353 -6.107 -2.631 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.695 -3.639 -2.776 1.00 0.00 H new ATOM 596 N CYS A 354 -4.597 -4.796 -3.508 1.00 0.00 N ATOM 597 CA CYS A 354 -4.453 -5.157 -4.911 1.00 0.00 C ATOM 598 C CYS A 354 -3.199 -6.001 -5.118 1.00 0.00 C ATOM 599 O CYS A 354 -3.186 -6.913 -5.938 1.00 0.00 O ATOM 600 CB CYS A 354 -4.396 -3.898 -5.784 1.00 0.00 C ATOM 601 SG CYS A 354 -5.852 -2.822 -5.657 1.00 0.00 S ATOM 0 H CYS A 354 -4.427 -3.811 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.321 -5.746 -5.206 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.511 -3.323 -5.512 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.273 -4.199 -6.824 1.00 0.00 H new ATOM 0 HG CYS A 354 -5.880 -2.008 -6.670 1.00 0.00 H new ATOM 606 N ALA A 355 -2.154 -5.701 -4.354 1.00 0.00 N ATOM 607 CA ALA A 355 -0.899 -6.438 -4.440 1.00 0.00 C ATOM 608 C ALA A 355 -1.077 -7.877 -3.969 1.00 0.00 C ATOM 609 O ALA A 355 -0.594 -8.817 -4.605 1.00 0.00 O ATOM 610 CB ALA A 355 0.177 -5.742 -3.622 1.00 0.00 C ATOM 0 H ALA A 355 -2.152 -4.949 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.588 -6.460 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.109 -6.303 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.330 -4.733 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.135 -5.691 -2.579 1.00 0.00 H new ATOM 616 N GLN A 356 -1.778 -8.040 -2.852 1.00 0.00 N ATOM 617 CA GLN A 356 -2.063 -9.364 -2.305 1.00 0.00 C ATOM 618 C GLN A 356 -3.000 -10.129 -3.232 1.00 0.00 C ATOM 619 O GLN A 356 -2.951 -11.357 -3.320 1.00 0.00 O ATOM 620 CB GLN A 356 -2.700 -9.242 -0.919 1.00 0.00 C ATOM 621 CG GLN A 356 -1.809 -8.560 0.105 1.00 0.00 C ATOM 622 CD GLN A 356 -2.528 -8.317 1.416 1.00 0.00 C ATOM 623 OE1 GLN A 356 -2.516 -9.160 2.315 1.00 0.00 O ATOM 624 NE2 GLN A 356 -3.164 -7.163 1.531 1.00 0.00 N ATOM 0 H GLN A 356 -2.161 -7.269 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 356 -1.123 -9.909 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.632 -8.684 -1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.957 -10.238 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.927 -9.175 0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.458 -7.610 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -3.148 -6.493 0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -3.670 -6.943 2.389 1.00 0.00 H new ATOM 633 N LYS A 357 -3.843 -9.383 -3.925 1.00 0.00 N ATOM 634 CA LYS A 357 -4.828 -9.953 -4.827 1.00 0.00 C ATOM 635 C LYS A 357 -4.175 -10.411 -6.127 1.00 0.00 C ATOM 636 O LYS A 357 -4.442 -11.510 -6.618 1.00 0.00 O ATOM 637 CB LYS A 357 -5.907 -8.907 -5.099 1.00 0.00 C ATOM 638 CG LYS A 357 -7.140 -9.438 -5.807 1.00 0.00 C ATOM 639 CD LYS A 357 -8.261 -8.408 -5.790 1.00 0.00 C ATOM 640 CE LYS A 357 -8.620 -8.014 -4.363 1.00 0.00 C ATOM 641 NZ LYS A 357 -9.833 -7.157 -4.302 1.00 0.00 N ATOM 0 H LYS A 357 -3.864 -8.364 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.280 -10.831 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -6.212 -8.464 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.475 -8.107 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -6.891 -9.694 -6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.476 -10.355 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -7.955 -7.524 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -9.140 -8.814 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -8.784 -8.914 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -7.781 -7.484 -3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -10.038 -6.915 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.670 -6.285 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -10.642 -7.671 -4.707 1.00 0.00 H new ATOM 655 N ALA A 358 -3.312 -9.567 -6.676 1.00 0.00 N ATOM 656 CA ALA A 358 -2.595 -9.891 -7.905 1.00 0.00 C ATOM 657 C ALA A 358 -1.542 -10.970 -7.665 1.00 0.00 C ATOM 658 O ALA A 358 -1.144 -11.679 -8.590 1.00 0.00 O ATOM 659 CB ALA A 358 -1.946 -8.642 -8.482 1.00 0.00 C ATOM 0 H ALA A 358 -3.090 -8.650 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.318 -10.280 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.415 -8.898 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.715 -7.902 -8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.243 -8.230 -7.758 1.00 0.00 H new ATOM 665 N GLY A 359 -1.092 -11.083 -6.417 1.00 0.00 N ATOM 666 CA GLY A 359 -0.105 -12.088 -6.065 1.00 0.00 C ATOM 667 C GLY A 359 1.222 -11.838 -6.746 1.00 0.00 C ATOM 668 O GLY A 359 1.870 -12.767 -7.227 1.00 0.00 O ATOM 0 H GLY A 359 -1.395 -10.494 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.037 -12.094 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.476 -13.074 -6.344 1.00 0.00 H new ATOM 672 N LEU A 360 1.617 -10.575 -6.788 1.00 0.00 N ATOM 673 CA LEU A 360 2.837 -10.174 -7.472 1.00 0.00 C ATOM 674 C LEU A 360 4.053 -10.303 -6.559 1.00 0.00 C ATOM 675 O LEU A 360 3.926 -10.650 -5.382 1.00 0.00 O ATOM 676 CB LEU A 360 2.700 -8.744 -8.024 1.00 0.00 C ATOM 677 CG LEU A 360 2.090 -7.702 -7.070 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.070 -7.307 -5.974 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.640 -6.478 -7.849 1.00 0.00 C ATOM 0 H LEU A 360 1.107 -9.806 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 360 2.992 -10.849 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.689 -8.396 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.089 -8.782 -8.926 1.00 0.00 H new ATOM 0 HG LEU A 360 1.223 -8.154 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.606 -6.570 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.341 -8.189 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.966 -6.879 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.210 -5.748 -7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.496 -6.036 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.890 -6.770 -8.584 1.00 0.00 H new ATOM 691 N TYR A 361 5.228 -10.021 -7.105 1.00 0.00 N ATOM 692 CA TYR A 361 6.475 -10.185 -6.369 1.00 0.00 C ATOM 693 C TYR A 361 6.662 -9.076 -5.341 1.00 0.00 C ATOM 694 O TYR A 361 6.523 -7.889 -5.648 1.00 0.00 O ATOM 695 CB TYR A 361 7.671 -10.209 -7.328 1.00 0.00 C ATOM 696 CG TYR A 361 8.997 -10.447 -6.636 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.721 -9.390 -6.097 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.520 -11.728 -6.512 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.926 -9.600 -5.460 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.727 -11.947 -5.874 1.00 0.00 C ATOM 701 CZ TYR A 361 11.426 -10.880 -5.349 1.00 0.00 C ATOM 702 OH TYR A 361 12.627 -11.100 -4.711 1.00 0.00 O ATOM 0 H TYR A 361 5.344 -9.676 -8.058 1.00 0.00 H new ATOM 0 HA TYR A 361 6.421 -11.138 -5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.514 -10.989 -8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.715 -9.261 -7.864 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.333 -8.386 -6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 361 8.975 -12.566 -6.920 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.475 -8.766 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.121 -12.949 -5.787 1.00 0.00 H new ATOM 0 HH TYR A 361 12.832 -12.058 -4.721 1.00 0.00 H new ATOM 712 N MET A 362 6.993 -9.477 -4.122 1.00 0.00 N ATOM 713 CA MET A 362 7.298 -8.540 -3.055 1.00 0.00 C ATOM 714 C MET A 362 8.731 -8.739 -2.575 1.00 0.00 C ATOM 715 O MET A 362 9.151 -9.860 -2.289 1.00 0.00 O ATOM 716 CB MET A 362 6.323 -8.713 -1.887 1.00 0.00 C ATOM 717 CG MET A 362 4.896 -8.300 -2.209 1.00 0.00 C ATOM 718 SD MET A 362 3.749 -8.654 -0.859 1.00 0.00 S ATOM 719 CE MET A 362 2.201 -8.123 -1.587 1.00 0.00 C ATOM 0 H MET A 362 7.057 -10.457 -3.847 1.00 0.00 H new ATOM 0 HA MET A 362 7.192 -7.528 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 362 6.327 -9.757 -1.575 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.678 -8.126 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 362 4.872 -7.233 -2.431 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.565 -8.820 -3.108 1.00 0.00 H new ATOM 0 HE1 MET A 362 1.387 -8.311 -0.887 1.00 0.00 H new ATOM 0 HE2 MET A 362 2.250 -7.057 -1.809 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.023 -8.678 -2.508 1.00 0.00 H new ATOM 729 N LYS A 363 9.481 -7.652 -2.519 1.00 0.00 N ATOM 730 CA LYS A 363 10.846 -7.678 -2.027 1.00 0.00 C ATOM 731 C LYS A 363 10.856 -7.093 -0.616 1.00 0.00 C ATOM 732 O LYS A 363 10.021 -6.254 -0.289 1.00 0.00 O ATOM 733 CB LYS A 363 11.744 -6.866 -2.975 1.00 0.00 C ATOM 734 CG LYS A 363 13.114 -7.476 -3.247 1.00 0.00 C ATOM 735 CD LYS A 363 14.123 -7.125 -2.169 1.00 0.00 C ATOM 736 CE LYS A 363 15.530 -7.551 -2.555 1.00 0.00 C ATOM 737 NZ LYS A 363 15.644 -9.022 -2.737 1.00 0.00 N ATOM 0 H LYS A 363 9.161 -6.729 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 363 11.230 -8.697 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.224 -6.741 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.884 -5.870 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.020 -8.560 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.480 -7.127 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 363 14.105 -6.050 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.840 -7.609 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.819 -7.049 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 363 16.230 -7.227 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.631 -9.270 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 15.346 -9.504 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 15.035 -9.323 -3.524 1.00 0.00 H new ATOM 751 N MET A 364 11.786 -7.524 0.213 1.00 0.00 N ATOM 752 CA MET A 364 11.819 -7.127 1.603 1.00 0.00 C ATOM 753 C MET A 364 13.233 -6.728 1.924 1.00 0.00 C ATOM 754 O MET A 364 14.124 -7.573 2.027 1.00 0.00 O ATOM 755 CB MET A 364 11.372 -8.256 2.542 1.00 0.00 C ATOM 756 CG MET A 364 9.887 -8.586 2.507 1.00 0.00 C ATOM 757 SD MET A 364 9.392 -9.485 1.023 1.00 0.00 S ATOM 758 CE MET A 364 7.664 -9.798 1.372 1.00 0.00 C ATOM 0 H MET A 364 12.538 -8.158 -0.059 1.00 0.00 H new ATOM 0 HA MET A 364 11.124 -6.301 1.754 1.00 0.00 H new ATOM 0 HB2 MET A 364 11.933 -9.157 2.292 1.00 0.00 H new ATOM 0 HB3 MET A 364 11.643 -7.985 3.563 1.00 0.00 H new ATOM 0 HG2 MET A 364 9.633 -9.180 3.385 1.00 0.00 H new ATOM 0 HG3 MET A 364 9.314 -7.661 2.571 1.00 0.00 H new ATOM 0 HE1 MET A 364 7.325 -10.656 0.792 1.00 0.00 H new ATOM 0 HE2 MET A 364 7.539 -10.007 2.435 1.00 0.00 H new ATOM 0 HE3 MET A 364 7.074 -8.922 1.103 1.00 0.00 H new ATOM 768 N GLU A 365 13.440 -5.449 2.048 1.00 0.00 N ATOM 769 CA GLU A 365 14.766 -4.914 2.192 1.00 0.00 C ATOM 770 C GLU A 365 14.931 -4.325 3.589 1.00 0.00 C ATOM 771 O GLU A 365 14.168 -3.458 3.995 1.00 0.00 O ATOM 772 CB GLU A 365 14.958 -3.853 1.107 1.00 0.00 C ATOM 773 CG GLU A 365 14.685 -4.373 -0.298 1.00 0.00 C ATOM 774 CD GLU A 365 14.627 -3.277 -1.350 1.00 0.00 C ATOM 775 OE1 GLU A 365 13.798 -2.352 -1.214 1.00 0.00 O ATOM 776 OE2 GLU A 365 15.386 -3.356 -2.337 1.00 0.00 O ATOM 0 H GLU A 365 12.699 -4.748 2.052 1.00 0.00 H new ATOM 0 HA GLU A 365 15.522 -5.690 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.296 -3.011 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.979 -3.475 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.463 -5.086 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 365 13.740 -4.916 -0.298 1.00 0.00 H new ATOM 783 N PRO A 366 15.912 -4.801 4.355 1.00 0.00 N ATOM 784 CA PRO A 366 16.148 -4.312 5.704 1.00 0.00 C ATOM 785 C PRO A 366 17.094 -3.117 5.722 1.00 0.00 C ATOM 786 O PRO A 366 18.259 -3.219 5.324 1.00 0.00 O ATOM 787 CB PRO A 366 16.779 -5.522 6.389 1.00 0.00 C ATOM 788 CG PRO A 366 17.503 -6.256 5.302 1.00 0.00 C ATOM 789 CD PRO A 366 16.853 -5.874 3.990 1.00 0.00 C ATOM 0 HA PRO A 366 15.241 -3.953 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 366 17.463 -5.214 7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 366 16.020 -6.153 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 366 18.560 -5.991 5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 366 17.444 -7.333 5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 366 17.590 -5.528 3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 366 16.336 -6.721 3.539 1.00 0.00 H new ATOM 797 N VAL A 367 16.591 -1.981 6.175 1.00 0.00 N ATOM 798 CA VAL A 367 17.399 -0.778 6.244 1.00 0.00 C ATOM 799 C VAL A 367 17.936 -0.571 7.656 1.00 0.00 C ATOM 800 O VAL A 367 17.179 -0.519 8.628 1.00 0.00 O ATOM 801 CB VAL A 367 16.624 0.476 5.769 1.00 0.00 C ATOM 802 CG1 VAL A 367 16.496 0.474 4.253 1.00 0.00 C ATOM 803 CG2 VAL A 367 15.249 0.544 6.409 1.00 0.00 C ATOM 0 H VAL A 367 15.630 -1.868 6.499 1.00 0.00 H new ATOM 0 HA VAL A 367 18.239 -0.916 5.563 1.00 0.00 H new ATOM 0 HB VAL A 367 17.187 1.357 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 367 15.949 1.361 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 367 17.489 0.478 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 367 15.958 -0.419 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 367 14.728 1.434 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 367 14.677 -0.343 6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 367 15.354 0.589 7.493 1.00 0.00 H new ATOM 813 N LYS A 368 19.252 -0.488 7.760 1.00 0.00 N ATOM 814 CA LYS A 368 19.911 -0.297 9.039 1.00 0.00 C ATOM 815 C LYS A 368 20.183 1.185 9.250 1.00 0.00 C ATOM 816 O LYS A 368 20.971 1.792 8.528 1.00 0.00 O ATOM 817 CB LYS A 368 21.209 -1.123 9.091 1.00 0.00 C ATOM 818 CG LYS A 368 21.994 -1.021 10.402 1.00 0.00 C ATOM 819 CD LYS A 368 22.922 0.191 10.438 1.00 0.00 C ATOM 820 CE LYS A 368 23.990 0.111 9.359 1.00 0.00 C ATOM 821 NZ LYS A 368 24.887 1.297 9.361 1.00 0.00 N ATOM 0 H LYS A 368 19.889 -0.551 6.966 1.00 0.00 H new ATOM 0 HA LYS A 368 19.265 -0.645 9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 368 20.962 -2.170 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 368 21.856 -0.806 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 368 21.295 -0.964 11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 368 22.582 -1.928 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 368 22.338 1.101 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 368 23.397 0.257 11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 368 24.584 -0.791 9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 368 23.511 0.022 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 25.598 1.196 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 24.326 2.157 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 25.366 1.369 10.282 1.00 0.00 H new ATOM 835 N GLU A 369 19.517 1.759 10.230 1.00 0.00 N ATOM 836 CA GLU A 369 19.642 3.176 10.513 1.00 0.00 C ATOM 837 C GLU A 369 20.392 3.364 11.840 1.00 0.00 C ATOM 838 O GLU A 369 20.742 2.387 12.502 1.00 0.00 O ATOM 839 CB GLU A 369 18.245 3.813 10.520 1.00 0.00 C ATOM 840 CG GLU A 369 18.188 5.247 10.005 1.00 0.00 C ATOM 841 CD GLU A 369 18.477 6.268 11.081 1.00 0.00 C ATOM 842 OE1 GLU A 369 17.610 6.486 11.943 1.00 0.00 O ATOM 843 OE2 GLU A 369 19.592 6.833 11.094 1.00 0.00 O ATOM 0 H GLU A 369 18.878 1.262 10.850 1.00 0.00 H new ATOM 0 HA GLU A 369 20.224 3.680 9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 369 17.579 3.199 9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 369 17.858 3.793 11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 369 18.908 5.366 9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 369 17.201 5.438 9.585 1.00 0.00 H new ATOM 850 N LEU A 370 20.627 4.607 12.214 1.00 0.00 N ATOM 851 CA LEU A 370 21.553 4.956 13.290 1.00 0.00 C ATOM 852 C LEU A 370 20.868 5.833 14.340 1.00 0.00 C ATOM 853 O LEU A 370 21.134 5.726 15.537 1.00 0.00 O ATOM 854 CB LEU A 370 22.742 5.715 12.679 1.00 0.00 C ATOM 855 CG LEU A 370 23.783 6.270 13.662 1.00 0.00 C ATOM 856 CD1 LEU A 370 24.760 5.190 14.096 1.00 0.00 C ATOM 857 CD2 LEU A 370 24.526 7.441 13.036 1.00 0.00 C ATOM 0 H LEU A 370 20.180 5.415 11.780 1.00 0.00 H new ATOM 0 HA LEU A 370 21.892 4.044 13.782 1.00 0.00 H new ATOM 0 HB2 LEU A 370 23.252 5.047 11.984 1.00 0.00 H new ATOM 0 HB3 LEU A 370 22.350 6.546 12.093 1.00 0.00 H new ATOM 0 HG LEU A 370 23.257 6.621 14.550 1.00 0.00 H new ATOM 0 HD11 LEU A 370 25.485 5.613 14.792 1.00 0.00 H new ATOM 0 HD12 LEU A 370 24.216 4.382 14.586 1.00 0.00 H new ATOM 0 HD13 LEU A 370 25.281 4.799 13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 370 25.261 7.825 13.743 1.00 0.00 H new ATOM 0 HD22 LEU A 370 25.033 7.108 12.130 1.00 0.00 H new ATOM 0 HD23 LEU A 370 23.817 8.230 12.785 1.00 0.00 H new ATOM 869 N THR A 371 19.961 6.679 13.876 1.00 0.00 N ATOM 870 CA THR A 371 19.368 7.717 14.703 1.00 0.00 C ATOM 871 C THR A 371 18.315 7.150 15.654 1.00 0.00 C ATOM 872 O THR A 371 17.289 6.622 15.219 1.00 0.00 O ATOM 873 CB THR A 371 18.710 8.791 13.817 1.00 0.00 C ATOM 874 OG1 THR A 371 19.564 9.105 12.704 1.00 0.00 O ATOM 875 CG2 THR A 371 18.429 10.057 14.612 1.00 0.00 C ATOM 0 H THR A 371 19.616 6.665 12.916 1.00 0.00 H new ATOM 0 HA THR A 371 20.171 8.157 15.295 1.00 0.00 H new ATOM 0 HB THR A 371 17.764 8.392 13.451 1.00 0.00 H new ATOM 0 HG1 THR A 371 19.524 8.379 12.046 1.00 0.00 H new ATOM 0 HG21 THR A 371 17.964 10.799 13.963 1.00 0.00 H new ATOM 0 HG22 THR A 371 17.757 9.826 15.438 1.00 0.00 H new ATOM 0 HG23 THR A 371 19.364 10.454 15.006 1.00 0.00 H new ATOM 883 N GLY A 372 18.564 7.277 16.950 1.00 0.00 N ATOM 884 CA GLY A 372 17.603 6.835 17.940 1.00 0.00 C ATOM 885 C GLY A 372 18.260 6.100 19.085 1.00 0.00 C ATOM 886 O GLY A 372 18.074 6.452 20.250 1.00 0.00 O ATOM 0 H GLY A 372 19.418 7.680 17.335 1.00 0.00 H new ATOM 0 HA2 GLY A 372 17.061 7.697 18.328 1.00 0.00 H new ATOM 0 HA3 GLY A 372 16.869 6.184 17.466 1.00 0.00 H new ATOM 890 N GLY A 373 19.043 5.088 18.753 1.00 0.00 N ATOM 891 CA GLY A 373 19.708 4.303 19.771 1.00 0.00 C ATOM 892 C GLY A 373 20.874 3.524 19.213 1.00 0.00 C ATOM 893 O GLY A 373 20.980 2.313 19.420 1.00 0.00 O ATOM 0 H GLY A 373 19.231 4.795 17.794 1.00 0.00 H new ATOM 0 HA2 GLY A 373 20.059 4.962 20.565 1.00 0.00 H new ATOM 0 HA3 GLY A 373 18.994 3.614 20.221 1.00 0.00 H new ATOM 897 N GLY A 374 21.739 4.211 18.486 1.00 0.00 N ATOM 898 CA GLY A 374 22.885 3.563 17.883 1.00 0.00 C ATOM 899 C GLY A 374 22.535 2.913 16.564 1.00 0.00 C ATOM 900 O GLY A 374 23.180 3.157 15.552 1.00 0.00 O ATOM 0 H GLY A 374 21.668 5.212 18.301 1.00 0.00 H new ATOM 0 HA2 GLY A 374 23.677 4.296 17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 374 23.277 2.810 18.566 1.00 0.00 H new ATOM 904 N THR A 375 21.527 2.062 16.583 1.00 0.00 N ATOM 905 CA THR A 375 21.015 1.458 15.369 1.00 0.00 C ATOM 906 C THR A 375 19.506 1.309 15.458 1.00 0.00 C ATOM 907 O THR A 375 18.973 0.972 16.517 1.00 0.00 O ATOM 908 CB THR A 375 21.647 0.074 15.111 1.00 0.00 C ATOM 909 OG1 THR A 375 21.716 -0.668 16.336 1.00 0.00 O ATOM 910 CG2 THR A 375 23.040 0.197 14.506 1.00 0.00 C ATOM 0 H THR A 375 21.044 1.772 17.433 1.00 0.00 H new ATOM 0 HA THR A 375 21.277 2.115 14.540 1.00 0.00 H new ATOM 0 HB THR A 375 21.014 -0.453 14.396 1.00 0.00 H new ATOM 0 HG1 THR A 375 22.116 -1.546 16.165 1.00 0.00 H new ATOM 0 HG21 THR A 375 23.453 -0.798 14.338 1.00 0.00 H new ATOM 0 HG22 THR A 375 22.979 0.729 13.557 1.00 0.00 H new ATOM 0 HG23 THR A 375 23.686 0.748 15.190 1.00 0.00 H new ATOM 918 N THR A 376 18.823 1.559 14.358 1.00 0.00 N ATOM 919 CA THR A 376 17.410 1.365 14.298 1.00 0.00 C ATOM 920 C THR A 376 17.105 0.525 13.084 1.00 0.00 C ATOM 921 O THR A 376 17.466 0.856 11.953 1.00 0.00 O ATOM 922 CB THR A 376 16.626 2.698 14.261 1.00 0.00 C ATOM 923 OG1 THR A 376 16.849 3.392 13.033 1.00 0.00 O ATOM 924 CG2 THR A 376 17.058 3.585 15.405 1.00 0.00 C ATOM 0 H THR A 376 19.240 1.900 13.492 1.00 0.00 H new ATOM 0 HA THR A 376 17.086 0.857 15.206 1.00 0.00 H new ATOM 0 HB THR A 376 15.566 2.462 14.349 1.00 0.00 H new ATOM 0 HG1 THR A 376 16.341 4.230 13.034 1.00 0.00 H new ATOM 0 HG21 THR A 376 16.500 4.521 15.370 1.00 0.00 H new ATOM 0 HG22 THR A 376 16.861 3.080 16.351 1.00 0.00 H new ATOM 0 HG23 THR A 376 18.124 3.795 15.320 1.00 0.00 H new ATOM 932 N PHE A 377 16.505 -0.592 13.349 1.00 0.00 N ATOM 933 CA PHE A 377 16.162 -1.540 12.322 1.00 0.00 C ATOM 934 C PHE A 377 14.766 -1.269 11.783 1.00 0.00 C ATOM 935 O PHE A 377 13.776 -1.341 12.514 1.00 0.00 O ATOM 936 CB PHE A 377 16.274 -2.958 12.882 1.00 0.00 C ATOM 937 CG PHE A 377 15.656 -3.996 12.002 1.00 0.00 C ATOM 938 CD1 PHE A 377 16.323 -4.477 10.890 1.00 0.00 C ATOM 939 CD2 PHE A 377 14.400 -4.485 12.296 1.00 0.00 C ATOM 940 CE1 PHE A 377 15.741 -5.432 10.080 1.00 0.00 C ATOM 941 CE2 PHE A 377 13.810 -5.441 11.492 1.00 0.00 C ATOM 942 CZ PHE A 377 14.482 -5.917 10.381 1.00 0.00 C ATOM 0 H PHE A 377 16.235 -0.880 14.290 1.00 0.00 H new ATOM 0 HA PHE A 377 16.858 -1.436 11.489 1.00 0.00 H new ATOM 0 HB2 PHE A 377 17.326 -3.199 13.031 1.00 0.00 H new ATOM 0 HB3 PHE A 377 15.797 -2.992 13.861 1.00 0.00 H new ATOM 0 HD1 PHE A 377 17.308 -4.102 10.653 1.00 0.00 H new ATOM 0 HD2 PHE A 377 13.873 -4.117 13.164 1.00 0.00 H new ATOM 0 HE1 PHE A 377 16.269 -5.800 9.212 1.00 0.00 H new ATOM 0 HE2 PHE A 377 12.826 -5.816 11.731 1.00 0.00 H new ATOM 0 HZ PHE A 377 14.025 -6.665 9.751 1.00 0.00 H new ATOM 952 N SER A 378 14.699 -0.942 10.508 1.00 0.00 N ATOM 953 CA SER A 378 13.434 -0.705 9.849 1.00 0.00 C ATOM 954 C SER A 378 13.339 -1.606 8.625 1.00 0.00 C ATOM 955 O SER A 378 14.362 -1.980 8.040 1.00 0.00 O ATOM 956 CB SER A 378 13.317 0.773 9.460 1.00 0.00 C ATOM 957 OG SER A 378 12.000 1.106 9.051 1.00 0.00 O ATOM 0 H SER A 378 15.514 -0.834 9.905 1.00 0.00 H new ATOM 0 HA SER A 378 12.610 -0.939 10.523 1.00 0.00 H new ATOM 0 HB2 SER A 378 13.603 1.396 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 378 14.015 0.993 8.652 1.00 0.00 H new ATOM 0 HG SER A 378 11.962 2.056 8.812 1.00 0.00 H new ATOM 963 N VAL A 379 12.132 -1.983 8.250 1.00 0.00 N ATOM 964 CA VAL A 379 11.951 -2.834 7.092 1.00 0.00 C ATOM 965 C VAL A 379 11.376 -2.028 5.939 1.00 0.00 C ATOM 966 O VAL A 379 10.457 -1.226 6.109 1.00 0.00 O ATOM 967 CB VAL A 379 11.018 -4.026 7.378 1.00 0.00 C ATOM 968 CG1 VAL A 379 11.116 -5.066 6.272 1.00 0.00 C ATOM 969 CG2 VAL A 379 11.319 -4.646 8.735 1.00 0.00 C ATOM 0 H VAL A 379 11.270 -1.716 8.726 1.00 0.00 H new ATOM 0 HA VAL A 379 12.934 -3.228 6.833 1.00 0.00 H new ATOM 0 HB VAL A 379 9.995 -3.652 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 379 10.449 -5.898 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 379 10.829 -4.615 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 379 12.141 -5.431 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 379 10.645 -5.485 8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 379 12.350 -4.999 8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 379 11.178 -3.899 9.516 1.00 0.00 H new ATOM 979 N ARG A 380 11.934 -2.258 4.776 1.00 0.00 N ATOM 980 CA ARG A 380 11.539 -1.584 3.555 1.00 0.00 C ATOM 981 C ARG A 380 11.023 -2.619 2.565 1.00 0.00 C ATOM 982 O ARG A 380 11.801 -3.325 1.929 1.00 0.00 O ATOM 983 CB ARG A 380 12.746 -0.821 2.990 1.00 0.00 C ATOM 984 CG ARG A 380 12.665 -0.470 1.513 1.00 0.00 C ATOM 985 CD ARG A 380 13.971 0.151 1.043 1.00 0.00 C ATOM 986 NE ARG A 380 14.097 0.162 -0.414 1.00 0.00 N ATOM 987 CZ ARG A 380 14.446 1.232 -1.130 1.00 0.00 C ATOM 988 NH1 ARG A 380 14.578 2.420 -0.547 1.00 0.00 N ATOM 989 NH2 ARG A 380 14.646 1.115 -2.439 1.00 0.00 N ATOM 0 H ARG A 380 12.690 -2.930 4.645 1.00 0.00 H new ATOM 0 HA ARG A 380 10.742 -0.866 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 380 12.870 0.101 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 380 13.642 -1.420 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 380 12.451 -1.366 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 380 11.843 0.225 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 380 14.039 1.172 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 380 14.807 -0.402 1.472 1.00 0.00 H new ATOM 0 HE ARG A 380 13.905 -0.705 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 380 14.412 2.518 0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 380 14.845 3.233 -1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 380 14.532 0.209 -2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 380 14.913 1.931 -2.989 1.00 0.00 H new ATOM 1003 N LYS A 381 9.713 -2.753 2.480 1.00 0.00 N ATOM 1004 CA LYS A 381 9.129 -3.753 1.609 1.00 0.00 C ATOM 1005 C LYS A 381 8.807 -3.143 0.255 1.00 0.00 C ATOM 1006 O LYS A 381 7.907 -2.314 0.126 1.00 0.00 O ATOM 1007 CB LYS A 381 7.876 -4.353 2.238 1.00 0.00 C ATOM 1008 CG LYS A 381 7.435 -5.646 1.576 1.00 0.00 C ATOM 1009 CD LYS A 381 6.139 -6.166 2.175 1.00 0.00 C ATOM 1010 CE LYS A 381 6.285 -6.472 3.660 1.00 0.00 C ATOM 1011 NZ LYS A 381 4.998 -6.894 4.277 1.00 0.00 N ATOM 0 H LYS A 381 9.040 -2.188 2.998 1.00 0.00 H new ATOM 0 HA LYS A 381 9.853 -4.555 1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.062 -4.539 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.065 -3.627 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.302 -5.481 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 381 8.216 -6.398 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.350 -5.427 2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.831 -7.068 1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 381 7.026 -7.260 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.661 -5.588 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.146 -7.092 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.297 -6.133 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.651 -7.752 3.803 1.00 0.00 H new ATOM 1025 N THR A 382 9.554 -3.559 -0.747 1.00 0.00 N ATOM 1026 CA THR A 382 9.416 -3.025 -2.085 1.00 0.00 C ATOM 1027 C THR A 382 8.809 -4.068 -3.008 1.00 0.00 C ATOM 1028 O THR A 382 9.449 -5.058 -3.346 1.00 0.00 O ATOM 1029 CB THR A 382 10.782 -2.584 -2.650 1.00 0.00 C ATOM 1030 OG1 THR A 382 11.341 -1.541 -1.838 1.00 0.00 O ATOM 1031 CG2 THR A 382 10.656 -2.103 -4.087 1.00 0.00 C ATOM 0 H THR A 382 10.273 -4.276 -0.656 1.00 0.00 H new ATOM 0 HA THR A 382 8.760 -2.156 -2.029 1.00 0.00 H new ATOM 0 HB THR A 382 11.444 -3.450 -2.635 1.00 0.00 H new ATOM 0 HG1 THR A 382 12.131 -1.880 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 382 11.636 -1.799 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 382 10.268 -2.910 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 382 9.974 -1.254 -4.128 1.00 0.00 H new ATOM 1039 N ALA A 383 7.575 -3.866 -3.403 1.00 0.00 N ATOM 1040 CA ALA A 383 6.942 -4.763 -4.346 1.00 0.00 C ATOM 1041 C ALA A 383 6.947 -4.138 -5.728 1.00 0.00 C ATOM 1042 O ALA A 383 7.004 -2.914 -5.864 1.00 0.00 O ATOM 1043 CB ALA A 383 5.526 -5.094 -3.901 1.00 0.00 C ATOM 0 H ALA A 383 6.989 -3.092 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 383 7.504 -5.696 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.066 -5.769 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.555 -5.573 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 383 4.940 -4.177 -3.839 1.00 0.00 H new ATOM 1049 N TYR A 384 6.898 -4.965 -6.751 1.00 0.00 N ATOM 1050 CA TYR A 384 6.887 -4.459 -8.106 1.00 0.00 C ATOM 1051 C TYR A 384 5.528 -4.735 -8.724 1.00 0.00 C ATOM 1052 O TYR A 384 4.887 -5.730 -8.393 1.00 0.00 O ATOM 1053 CB TYR A 384 7.994 -5.101 -8.952 1.00 0.00 C ATOM 1054 CG TYR A 384 9.351 -5.175 -8.268 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.023 -4.036 -7.827 1.00 0.00 C ATOM 1056 CD2 TYR A 384 9.964 -6.403 -8.075 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.258 -4.138 -7.207 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.194 -6.506 -7.459 1.00 0.00 C ATOM 1059 CZ TYR A 384 11.838 -5.372 -7.030 1.00 0.00 C ATOM 1060 OH TYR A 384 13.071 -5.470 -6.424 1.00 0.00 O ATOM 0 H TYR A 384 6.865 -5.981 -6.671 1.00 0.00 H new ATOM 0 HA TYR A 384 7.074 -3.386 -8.081 1.00 0.00 H new ATOM 0 HB2 TYR A 384 7.685 -6.109 -9.227 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.099 -4.536 -9.878 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.576 -3.063 -7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.467 -7.300 -8.415 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.765 -3.249 -6.863 1.00 0.00 H new ATOM 0 HE2 TYR A 384 11.649 -7.475 -7.315 1.00 0.00 H new ATOM 0 HH TYR A 384 13.338 -6.412 -6.376 1.00 0.00 H new ATOM 1070 N CYS A 385 5.091 -3.850 -9.610 1.00 0.00 N ATOM 1071 CA CYS A 385 3.780 -3.997 -10.249 1.00 0.00 C ATOM 1072 C CYS A 385 3.728 -5.281 -11.075 1.00 0.00 C ATOM 1073 O CYS A 385 4.757 -5.763 -11.542 1.00 0.00 O ATOM 1074 CB CYS A 385 3.439 -2.774 -11.125 1.00 0.00 C ATOM 1075 SG CYS A 385 4.646 -2.366 -12.426 1.00 0.00 S ATOM 0 H CYS A 385 5.617 -3.027 -9.904 1.00 0.00 H new ATOM 0 HA CYS A 385 3.030 -4.059 -9.460 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.471 -2.947 -11.596 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.327 -1.906 -10.475 1.00 0.00 H new ATOM 0 HG CYS A 385 5.762 -1.986 -11.879 1.00 0.00 H new ATOM 1080 N ASP A 386 2.529 -5.833 -11.231 1.00 0.00 N ATOM 1081 CA ASP A 386 2.348 -7.134 -11.885 1.00 0.00 C ATOM 1082 C ASP A 386 2.976 -7.163 -13.280 1.00 0.00 C ATOM 1083 O ASP A 386 3.690 -8.105 -13.625 1.00 0.00 O ATOM 1084 CB ASP A 386 0.858 -7.510 -11.959 1.00 0.00 C ATOM 1085 CG ASP A 386 0.063 -6.676 -12.954 1.00 0.00 C ATOM 1086 OD1 ASP A 386 0.241 -5.440 -12.985 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.759 -7.259 -13.696 1.00 0.00 O ATOM 0 H ASP A 386 1.661 -5.401 -10.913 1.00 0.00 H new ATOM 0 HA ASP A 386 2.864 -7.875 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.771 -8.562 -12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.415 -7.398 -10.969 1.00 0.00 H new ATOM 1092 N VAL A 387 2.744 -6.114 -14.063 1.00 0.00 N ATOM 1093 CA VAL A 387 3.273 -6.041 -15.422 1.00 0.00 C ATOM 1094 C VAL A 387 4.743 -5.619 -15.444 1.00 0.00 C ATOM 1095 O VAL A 387 5.323 -5.422 -16.509 1.00 0.00 O ATOM 1096 CB VAL A 387 2.454 -5.075 -16.303 1.00 0.00 C ATOM 1097 CG1 VAL A 387 1.036 -5.590 -16.486 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.444 -3.672 -15.708 1.00 0.00 C ATOM 0 H VAL A 387 2.194 -5.303 -13.781 1.00 0.00 H new ATOM 0 HA VAL A 387 3.193 -7.048 -15.830 1.00 0.00 H new ATOM 0 HB VAL A 387 2.930 -5.023 -17.282 1.00 0.00 H new ATOM 0 HG11 VAL A 387 0.474 -4.895 -17.110 1.00 0.00 H new ATOM 0 HG12 VAL A 387 1.063 -6.568 -16.966 1.00 0.00 H new ATOM 0 HG13 VAL A 387 0.552 -5.677 -15.513 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.860 -3.010 -16.347 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.999 -3.702 -14.714 1.00 0.00 H new ATOM 0 HG23 VAL A 387 3.466 -3.300 -15.637 1.00 0.00 H new ATOM 1108 N HIS A 388 5.348 -5.489 -14.268 1.00 0.00 N ATOM 1109 CA HIS A 388 6.767 -5.157 -14.172 1.00 0.00 C ATOM 1110 C HIS A 388 7.589 -6.393 -14.505 1.00 0.00 C ATOM 1111 O HIS A 388 8.756 -6.301 -14.886 1.00 0.00 O ATOM 1112 CB HIS A 388 7.114 -4.661 -12.761 1.00 0.00 C ATOM 1113 CG HIS A 388 8.446 -3.984 -12.640 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.574 -2.633 -12.359 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.707 -4.468 -12.731 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.864 -2.329 -12.287 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.565 -3.420 -12.508 1.00 0.00 N ATOM 0 H HIS A 388 4.880 -5.608 -13.369 1.00 0.00 H new ATOM 0 HA HIS A 388 6.996 -4.359 -14.878 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.339 -3.967 -12.435 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.091 -5.510 -12.077 1.00 0.00 H new ATOM 0 HD1 HIS A 388 7.802 -1.979 -12.229 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.986 -5.490 -12.940 1.00 0.00 H new ATOM 0 HE1 HIS A 388 10.270 -1.350 -12.081 1.00 0.00 H new ATOM 1125 N THR A 389 6.963 -7.544 -14.345 1.00 0.00 N ATOM 1126 CA THR A 389 7.597 -8.814 -14.631 1.00 0.00 C ATOM 1127 C THR A 389 6.782 -9.593 -15.653 1.00 0.00 C ATOM 1128 O THR A 389 5.557 -9.628 -15.563 1.00 0.00 O ATOM 1129 CB THR A 389 7.743 -9.659 -13.348 1.00 0.00 C ATOM 1130 OG1 THR A 389 6.492 -9.710 -12.643 1.00 0.00 O ATOM 1131 CG2 THR A 389 8.817 -9.083 -12.437 1.00 0.00 C ATOM 0 H THR A 389 6.002 -7.623 -14.013 1.00 0.00 H new ATOM 0 HA THR A 389 8.589 -8.608 -15.034 1.00 0.00 H new ATOM 0 HB THR A 389 8.037 -10.667 -13.640 1.00 0.00 H new ATOM 0 HG1 THR A 389 6.596 -10.250 -11.832 1.00 0.00 H new ATOM 0 HG21 THR A 389 8.900 -9.696 -11.540 1.00 0.00 H new ATOM 0 HG22 THR A 389 9.773 -9.075 -12.961 1.00 0.00 H new ATOM 0 HG23 THR A 389 8.548 -8.065 -12.156 1.00 0.00 H new ATOM 1139 N PRO A 390 7.453 -10.189 -16.656 1.00 0.00 N ATOM 1140 CA PRO A 390 6.816 -11.085 -17.633 1.00 0.00 C ATOM 1141 C PRO A 390 5.861 -12.077 -16.972 1.00 0.00 C ATOM 1142 O PRO A 390 6.304 -12.964 -16.237 1.00 0.00 O ATOM 1143 CB PRO A 390 8.014 -11.822 -18.224 1.00 0.00 C ATOM 1144 CG PRO A 390 9.120 -10.828 -18.172 1.00 0.00 C ATOM 1145 CD PRO A 390 8.898 -10.032 -16.917 1.00 0.00 C ATOM 0 HA PRO A 390 6.208 -10.548 -18.361 1.00 0.00 H new ATOM 0 HB2 PRO A 390 8.255 -12.715 -17.648 1.00 0.00 H new ATOM 0 HB3 PRO A 390 7.817 -12.145 -19.246 1.00 0.00 H new ATOM 0 HG2 PRO A 390 10.091 -11.324 -18.154 1.00 0.00 H new ATOM 0 HG3 PRO A 390 9.108 -10.183 -19.051 1.00 0.00 H new ATOM 0 HD2 PRO A 390 9.498 -10.412 -16.090 1.00 0.00 H new ATOM 0 HD3 PRO A 390 9.169 -8.985 -17.053 1.00 0.00 H new