USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=25 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 141:sc= 2.75 USER MOD Set 1.2: A 346 CYS SG : rot -27:sc= -2.17! USER MOD Set 1.3: A 348 THR OG1 : rot 65:sc= 1.41! USER MOD Set 1.4: A 385 CYS SG : rot -119:sc= -5.51! USER MOD Set 1.5: A 388 HIS : no HD1:sc= -1.69 K(o=-5.2,f=-15!) USER MOD Set 2.1: A 353 THR OG1 : rot 180:sc= 0.707 USER MOD Set 2.2: A 357 LYS NZ :NH3+ 173:sc= 0.657 (180deg=-0.0379) USER MOD Set 3.1: A 342 HIS : no HD1:sc= 0.256 K(o=1.6,f=-7!) USER MOD Set 3.2: A 384 TYR OH : rot 84:sc= 1.38 USER MOD Set 4.1: A 327 CYS SG : rot -173:sc= -2.25! USER MOD Set 4.2: A 330 CYS SG : rot 119:sc= -2.89! USER MOD Set 4.3: A 338 SER OG : rot 180:sc= 0 USER MOD Set 4.4: A 351 HIS : no HD1:sc= 1.16 K(o=-7.8,f=-19!) USER MOD Set 4.5: A 354 CYS SG : rot -160:sc= -3.77! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 130:sc= 0.0718 USER MOD Single : A 331 LYS NZ :NH3+ 170:sc=-0.00487 (180deg=-0.113) USER MOD Single : A 332 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0079) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 GLN : amide:sc= -3.16! C(o=-3.2!,f=-2.4!) USER MOD Single : A 343 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0132) USER MOD Single : A 345 ASN : amide:sc= -1.45! K(o=-1.4!,f=-0.047) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 361 TYR OH : rot 150:sc= 0 USER MOD Single : A 362 MET CE :methyl -160:sc= 0 (180deg=-0.0803) USER MOD Single : A 363 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.869) USER MOD Single : A 364 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot -84:sc= 1.22 USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot 180:sc= -0.0937 USER MOD Single : A 378 SER OG : rot -150:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 THR OG1 : rot 130:sc= 0.173 USER MOD Single : A 389 THR OG1 : rot 180:sc= -2.28! USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -1.071 9.780 -8.272 1.00 0.00 N ATOM 160 CA LEU A 325 -0.867 8.365 -8.528 1.00 0.00 C ATOM 161 C LEU A 325 -2.197 7.624 -8.498 1.00 0.00 C ATOM 162 O LEU A 325 -3.034 7.868 -7.630 1.00 0.00 O ATOM 163 CB LEU A 325 0.116 7.748 -7.511 1.00 0.00 C ATOM 164 CG LEU A 325 -0.343 7.718 -6.044 1.00 0.00 C ATOM 165 CD1 LEU A 325 0.532 6.767 -5.240 1.00 0.00 C ATOM 166 CD2 LEU A 325 -0.298 9.108 -5.422 1.00 0.00 C ATOM 0 HA LEU A 325 -0.429 8.263 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 325 0.331 6.726 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 325 1.054 8.302 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 325 -1.375 7.367 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 325 0.198 6.754 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.458 5.763 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 325 1.568 7.102 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -0.628 9.053 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.722 9.490 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -0.956 9.777 -5.977 1.00 0.00 H new ATOM 178 N THR A 326 -2.402 6.755 -9.472 1.00 0.00 N ATOM 179 CA THR A 326 -3.615 5.965 -9.545 1.00 0.00 C ATOM 180 C THR A 326 -3.286 4.477 -9.493 1.00 0.00 C ATOM 181 O THR A 326 -2.315 4.026 -10.104 1.00 0.00 O ATOM 182 CB THR A 326 -4.405 6.283 -10.832 1.00 0.00 C ATOM 183 OG1 THR A 326 -4.585 7.702 -10.944 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.769 5.600 -10.827 1.00 0.00 C ATOM 0 H THR A 326 -1.739 6.579 -10.227 1.00 0.00 H new ATOM 0 HA THR A 326 -4.235 6.223 -8.686 1.00 0.00 H new ATOM 0 HB THR A 326 -3.836 5.907 -11.683 1.00 0.00 H new ATOM 0 HG1 THR A 326 -5.085 7.905 -11.762 1.00 0.00 H new ATOM 0 HG21 THR A 326 -6.301 5.843 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.635 4.520 -10.760 1.00 0.00 H new ATOM 0 HG23 THR A 326 -6.347 5.948 -9.971 1.00 0.00 H new ATOM 192 N CYS A 327 -4.085 3.727 -8.755 1.00 0.00 N ATOM 193 CA CYS A 327 -3.918 2.287 -8.659 1.00 0.00 C ATOM 194 C CYS A 327 -4.518 1.613 -9.885 1.00 0.00 C ATOM 195 O CYS A 327 -5.737 1.591 -10.039 1.00 0.00 O ATOM 196 CB CYS A 327 -4.597 1.778 -7.382 1.00 0.00 C ATOM 197 SG CYS A 327 -4.821 -0.021 -7.288 1.00 0.00 S ATOM 0 H CYS A 327 -4.863 4.096 -8.208 1.00 0.00 H new ATOM 0 HA CYS A 327 -2.856 2.046 -8.616 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.007 2.100 -6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.573 2.254 -7.295 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.530 -0.316 -6.239 1.00 0.00 H new ATOM 202 N TYR A 328 -3.658 1.067 -10.751 1.00 0.00 N ATOM 203 CA TYR A 328 -4.117 0.439 -11.992 1.00 0.00 C ATOM 204 C TYR A 328 -5.045 -0.732 -11.688 1.00 0.00 C ATOM 205 O TYR A 328 -5.943 -1.052 -12.466 1.00 0.00 O ATOM 206 CB TYR A 328 -2.932 -0.010 -12.863 1.00 0.00 C ATOM 207 CG TYR A 328 -2.091 -1.127 -12.278 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.089 -0.861 -11.355 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.293 -2.446 -12.664 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.310 -1.877 -10.836 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.521 -3.467 -12.148 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.530 -3.179 -11.235 1.00 0.00 C ATOM 213 OH TYR A 328 0.242 -4.199 -10.722 1.00 0.00 O ATOM 0 H TYR A 328 -2.647 1.048 -10.616 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.677 1.183 -12.558 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.315 -0.333 -13.831 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.289 0.851 -13.046 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -0.916 0.157 -11.037 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.068 -2.677 -13.380 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.468 -1.653 -10.121 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.693 -4.487 -12.458 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.340 -4.918 -10.397 1.00 0.00 H new ATOM 223 N LEU A 329 -4.829 -1.362 -10.540 1.00 0.00 N ATOM 224 CA LEU A 329 -5.762 -2.353 -10.032 1.00 0.00 C ATOM 225 C LEU A 329 -6.874 -1.637 -9.275 1.00 0.00 C ATOM 226 O LEU A 329 -6.972 -1.745 -8.037 1.00 0.00 O ATOM 227 CB LEU A 329 -5.048 -3.364 -9.129 1.00 0.00 C ATOM 228 CG LEU A 329 -4.004 -4.239 -9.828 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.266 -5.099 -8.816 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.660 -5.114 -10.886 1.00 0.00 C ATOM 0 H LEU A 329 -4.016 -1.203 -9.945 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.190 -2.910 -10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.561 -2.822 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.797 -4.013 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.283 -3.585 -10.319 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.528 -5.714 -9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.763 -4.458 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.977 -5.743 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.902 -5.728 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.403 -5.759 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.146 -4.483 -11.630 1.00 0.00 H new ATOM 242 N CYS A 330 -7.618 -0.831 -10.038 1.00 0.00 N ATOM 243 CA CYS A 330 -8.761 -0.023 -9.590 1.00 0.00 C ATOM 244 C CYS A 330 -9.011 1.070 -10.626 1.00 0.00 C ATOM 245 O CYS A 330 -8.263 1.195 -11.594 1.00 0.00 O ATOM 246 CB CYS A 330 -8.532 0.658 -8.228 1.00 0.00 C ATOM 247 SG CYS A 330 -8.876 -0.371 -6.777 1.00 0.00 S ATOM 0 H CYS A 330 -7.432 -0.717 -11.034 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.609 -0.699 -9.480 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.496 0.992 -8.178 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.157 1.549 -8.177 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.792 -0.503 -6.072 1.00 0.00 H new ATOM 252 N LYS A 331 -10.057 1.847 -10.422 1.00 0.00 N ATOM 253 CA LYS A 331 -10.262 3.073 -11.179 1.00 0.00 C ATOM 254 C LYS A 331 -10.398 4.211 -10.177 1.00 0.00 C ATOM 255 O LYS A 331 -10.976 5.262 -10.449 1.00 0.00 O ATOM 256 CB LYS A 331 -11.507 2.966 -12.070 1.00 0.00 C ATOM 257 CG LYS A 331 -11.612 4.068 -13.119 1.00 0.00 C ATOM 258 CD LYS A 331 -10.420 4.052 -14.067 1.00 0.00 C ATOM 259 CE LYS A 331 -10.535 5.126 -15.138 1.00 0.00 C ATOM 260 NZ LYS A 331 -10.558 6.497 -14.561 1.00 0.00 N ATOM 0 H LYS A 331 -10.784 1.652 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 331 -9.418 3.256 -11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -11.500 1.999 -12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -12.396 2.992 -11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -12.533 3.943 -13.689 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -11.672 5.038 -12.625 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -9.502 4.202 -13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -10.345 3.073 -14.541 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -9.696 5.039 -15.829 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -11.444 4.963 -15.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -10.466 7.197 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -11.457 6.648 -14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -9.767 6.607 -13.895 1.00 0.00 H new ATOM 274 N GLN A 332 -9.810 3.979 -9.012 1.00 0.00 N ATOM 275 CA GLN A 332 -9.955 4.846 -7.867 1.00 0.00 C ATOM 276 C GLN A 332 -8.617 4.952 -7.159 1.00 0.00 C ATOM 277 O GLN A 332 -8.042 3.940 -6.741 1.00 0.00 O ATOM 278 CB GLN A 332 -10.984 4.270 -6.894 1.00 0.00 C ATOM 279 CG GLN A 332 -12.350 4.008 -7.514 1.00 0.00 C ATOM 280 CD GLN A 332 -13.299 3.259 -6.590 1.00 0.00 C ATOM 281 OE1 GLN A 332 -14.509 3.467 -6.636 1.00 0.00 O ATOM 282 NE2 GLN A 332 -12.768 2.355 -5.772 1.00 0.00 N ATOM 0 H GLN A 332 -9.212 3.171 -8.840 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.289 5.828 -8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -10.598 3.336 -6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.103 4.959 -6.058 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -12.802 4.959 -7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -12.220 3.435 -8.432 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -11.759 2.208 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -13.370 1.808 -5.156 1.00 0.00 H new ATOM 291 N LYS A 333 -8.114 6.158 -7.055 1.00 0.00 N ATOM 292 CA LYS A 333 -6.874 6.406 -6.337 1.00 0.00 C ATOM 293 C LYS A 333 -7.082 6.226 -4.831 1.00 0.00 C ATOM 294 O LYS A 333 -6.449 5.367 -4.206 1.00 0.00 O ATOM 295 CB LYS A 333 -6.331 7.807 -6.667 1.00 0.00 C ATOM 296 CG LYS A 333 -7.368 8.917 -6.570 1.00 0.00 C ATOM 297 CD LYS A 333 -6.819 10.248 -7.058 1.00 0.00 C ATOM 298 CE LYS A 333 -7.879 11.338 -6.998 1.00 0.00 C ATOM 299 NZ LYS A 333 -7.398 12.616 -7.582 1.00 0.00 N ATOM 0 H LYS A 333 -8.542 6.991 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 333 -6.130 5.677 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -5.508 8.034 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -5.920 7.797 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -8.245 8.648 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -7.697 9.017 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -5.963 10.536 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -6.460 10.143 -8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -8.769 11.007 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -8.173 11.501 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -8.151 13.331 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -6.564 12.946 -7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -7.142 12.467 -8.579 1.00 0.00 H new ATOM 313 N GLY A 334 -8.009 6.991 -4.267 1.00 0.00 N ATOM 314 CA GLY A 334 -8.239 6.953 -2.837 1.00 0.00 C ATOM 315 C GLY A 334 -9.250 5.899 -2.437 1.00 0.00 C ATOM 316 O GLY A 334 -10.431 6.005 -2.768 1.00 0.00 O ATOM 0 H GLY A 334 -8.608 7.640 -4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -7.296 6.759 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -8.587 7.930 -2.503 1.00 0.00 H new ATOM 320 N VAL A 335 -8.779 4.876 -1.735 1.00 0.00 N ATOM 321 CA VAL A 335 -9.645 3.804 -1.247 1.00 0.00 C ATOM 322 C VAL A 335 -9.275 3.442 0.189 1.00 0.00 C ATOM 323 O VAL A 335 -10.129 3.412 1.075 1.00 0.00 O ATOM 324 CB VAL A 335 -9.554 2.538 -2.137 1.00 0.00 C ATOM 325 CG1 VAL A 335 -10.357 1.392 -1.536 1.00 0.00 C ATOM 326 CG2 VAL A 335 -10.037 2.832 -3.548 1.00 0.00 C ATOM 0 H VAL A 335 -7.796 4.764 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.670 4.172 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 335 -8.507 2.240 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -10.277 0.515 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -9.966 1.153 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -11.403 1.686 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -9.964 1.929 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -11.075 3.164 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -9.419 3.615 -3.988 1.00 0.00 H new ATOM 336 N GLY A 336 -7.997 3.173 0.411 1.00 0.00 N ATOM 337 CA GLY A 336 -7.529 2.844 1.741 1.00 0.00 C ATOM 338 C GLY A 336 -6.040 3.070 1.884 1.00 0.00 C ATOM 339 O GLY A 336 -5.608 3.986 2.585 1.00 0.00 O ATOM 0 H GLY A 336 -7.274 3.177 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -8.061 3.451 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.761 1.802 1.961 1.00 0.00 H new ATOM 343 N ALA A 337 -5.256 2.243 1.208 1.00 0.00 N ATOM 344 CA ALA A 337 -3.806 2.352 1.254 1.00 0.00 C ATOM 345 C ALA A 337 -3.200 1.992 -0.095 1.00 0.00 C ATOM 346 O ALA A 337 -3.547 0.964 -0.688 1.00 0.00 O ATOM 347 CB ALA A 337 -3.243 1.452 2.345 1.00 0.00 C ATOM 0 H ALA A 337 -5.602 1.486 0.619 1.00 0.00 H new ATOM 0 HA ALA A 337 -3.544 3.385 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -2.157 1.544 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -3.653 1.750 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -3.515 0.417 2.139 1.00 0.00 H new ATOM 353 N SER A 338 -2.309 2.839 -0.580 1.00 0.00 N ATOM 354 CA SER A 338 -1.682 2.624 -1.872 1.00 0.00 C ATOM 355 C SER A 338 -0.163 2.578 -1.738 1.00 0.00 C ATOM 356 O SER A 338 0.425 3.315 -0.944 1.00 0.00 O ATOM 357 CB SER A 338 -2.097 3.730 -2.841 1.00 0.00 C ATOM 358 OG SER A 338 -3.508 3.904 -2.834 1.00 0.00 O ATOM 0 H SER A 338 -2.003 3.684 -0.097 1.00 0.00 H new ATOM 0 HA SER A 338 -2.016 1.663 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 338 -1.609 4.665 -2.564 1.00 0.00 H new ATOM 0 HB3 SER A 338 -1.762 3.482 -3.848 1.00 0.00 H new ATOM 0 HG SER A 338 -3.753 4.617 -3.460 1.00 0.00 H new ATOM 364 N ILE A 339 0.457 1.701 -2.509 1.00 0.00 N ATOM 365 CA ILE A 339 1.901 1.572 -2.537 1.00 0.00 C ATOM 366 C ILE A 339 2.395 1.796 -3.966 1.00 0.00 C ATOM 367 O ILE A 339 1.657 1.557 -4.926 1.00 0.00 O ATOM 368 CB ILE A 339 2.350 0.182 -2.013 1.00 0.00 C ATOM 369 CG1 ILE A 339 3.879 0.073 -1.980 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.747 -0.932 -2.862 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.380 -1.241 -1.415 1.00 0.00 C ATOM 0 H ILE A 339 -0.029 1.058 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 339 2.337 2.324 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 339 1.985 0.072 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.266 0.195 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.281 0.892 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.074 -1.899 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.659 -0.873 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.077 -0.821 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.470 -1.248 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.023 -1.357 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.008 -2.065 -2.024 1.00 0.00 H new ATOM 383 N GLN A 340 3.620 2.272 -4.109 1.00 0.00 N ATOM 384 CA GLN A 340 4.157 2.588 -5.415 1.00 0.00 C ATOM 385 C GLN A 340 5.368 1.712 -5.697 1.00 0.00 C ATOM 386 O GLN A 340 6.287 1.621 -4.883 1.00 0.00 O ATOM 387 CB GLN A 340 4.517 4.071 -5.490 1.00 0.00 C ATOM 388 CG GLN A 340 4.671 4.594 -6.907 1.00 0.00 C ATOM 389 CD GLN A 340 4.769 6.076 -6.976 1.00 0.00 C ATOM 390 OE1 GLN A 340 5.163 6.746 -6.023 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.470 6.592 -8.134 1.00 0.00 N ATOM 0 H GLN A 340 4.260 2.447 -3.334 1.00 0.00 H new ATOM 0 HA GLN A 340 3.404 2.387 -6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 340 3.745 4.649 -4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.448 4.237 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 340 5.563 4.156 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.821 4.264 -7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 340 4.147 5.991 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 340 4.559 7.597 -8.283 1.00 0.00 H new ATOM 400 N CYS A 341 5.336 1.045 -6.840 1.00 0.00 N ATOM 401 CA CYS A 341 6.379 0.110 -7.220 1.00 0.00 C ATOM 402 C CYS A 341 7.693 0.833 -7.463 1.00 0.00 C ATOM 403 O CYS A 341 7.711 2.009 -7.827 1.00 0.00 O ATOM 404 CB CYS A 341 5.970 -0.684 -8.468 1.00 0.00 C ATOM 405 SG CYS A 341 6.606 -0.040 -10.039 1.00 0.00 S ATOM 0 H CYS A 341 4.588 1.137 -7.527 1.00 0.00 H new ATOM 0 HA CYS A 341 6.518 -0.589 -6.395 1.00 0.00 H new ATOM 0 HB2 CYS A 341 6.310 -1.713 -8.352 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.882 -0.712 -8.520 1.00 0.00 H new ATOM 0 HG CYS A 341 6.951 -1.031 -10.806 1.00 0.00 H new ATOM 410 N HIS A 342 8.779 0.098 -7.296 1.00 0.00 N ATOM 411 CA HIS A 342 10.119 0.665 -7.345 1.00 0.00 C ATOM 412 C HIS A 342 10.554 0.914 -8.800 1.00 0.00 C ATOM 413 O HIS A 342 9.784 0.661 -9.730 1.00 0.00 O ATOM 414 CB HIS A 342 11.074 -0.296 -6.628 1.00 0.00 C ATOM 415 CG HIS A 342 12.316 0.334 -6.077 1.00 0.00 C ATOM 416 ND1 HIS A 342 13.539 -0.303 -6.082 1.00 0.00 N ATOM 417 CD2 HIS A 342 12.514 1.520 -5.453 1.00 0.00 C ATOM 418 CE1 HIS A 342 14.432 0.463 -5.485 1.00 0.00 C ATOM 419 NE2 HIS A 342 13.837 1.575 -5.095 1.00 0.00 N ATOM 0 H HIS A 342 8.759 -0.907 -7.123 1.00 0.00 H new ATOM 0 HA HIS A 342 10.136 1.632 -6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.536 -0.776 -5.811 1.00 0.00 H new ATOM 0 HB3 HIS A 342 11.363 -1.083 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 342 11.769 2.280 -5.271 1.00 0.00 H new ATOM 0 HE1 HIS A 342 15.474 0.221 -5.340 1.00 0.00 H new ATOM 0 HE2 HIS A 342 14.288 2.349 -4.607 1.00 0.00 H new ATOM 428 N LYS A 343 11.798 1.374 -8.973 1.00 0.00 N ATOM 429 CA LYS A 343 12.325 1.837 -10.264 1.00 0.00 C ATOM 430 C LYS A 343 11.695 3.171 -10.675 1.00 0.00 C ATOM 431 O LYS A 343 10.482 3.275 -10.878 1.00 0.00 O ATOM 432 CB LYS A 343 12.171 0.775 -11.361 1.00 0.00 C ATOM 433 CG LYS A 343 13.182 -0.362 -11.249 1.00 0.00 C ATOM 434 CD LYS A 343 14.602 0.123 -11.514 1.00 0.00 C ATOM 435 CE LYS A 343 15.629 -0.973 -11.256 1.00 0.00 C ATOM 436 NZ LYS A 343 15.488 -2.116 -12.197 1.00 0.00 N ATOM 0 H LYS A 343 12.476 1.436 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 343 13.394 2.004 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.164 0.361 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.278 1.252 -12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 343 13.127 -0.802 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 343 12.927 -1.148 -11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 343 14.684 0.463 -12.546 1.00 0.00 H new ATOM 0 HD3 LYS A 343 14.818 0.981 -10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 343 16.632 -0.555 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 343 15.522 -1.333 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.240 -2.811 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 14.560 -2.566 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 15.565 -1.772 -13.175 1.00 0.00 H new ATOM 450 N ALA A 344 12.555 4.183 -10.802 1.00 0.00 N ATOM 451 CA ALA A 344 12.128 5.570 -10.998 1.00 0.00 C ATOM 452 C ALA A 344 11.359 5.775 -12.300 1.00 0.00 C ATOM 453 O ALA A 344 10.339 6.465 -12.321 1.00 0.00 O ATOM 454 CB ALA A 344 13.333 6.499 -10.954 1.00 0.00 C ATOM 0 H ALA A 344 13.568 4.064 -10.772 1.00 0.00 H new ATOM 0 HA ALA A 344 11.444 5.809 -10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 344 13.005 7.528 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 344 13.826 6.410 -9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 344 14.033 6.225 -11.744 1.00 0.00 H new ATOM 460 N ASN A 345 11.831 5.168 -13.381 1.00 0.00 N ATOM 461 CA ASN A 345 11.192 5.347 -14.682 1.00 0.00 C ATOM 462 C ASN A 345 10.027 4.384 -14.838 1.00 0.00 C ATOM 463 O ASN A 345 9.811 3.803 -15.902 1.00 0.00 O ATOM 464 CB ASN A 345 12.198 5.164 -15.822 1.00 0.00 C ATOM 465 CG ASN A 345 13.191 6.308 -15.916 1.00 0.00 C ATOM 466 OD1 ASN A 345 14.354 6.102 -16.267 1.00 0.00 O ATOM 467 ND2 ASN A 345 12.740 7.522 -15.629 1.00 0.00 N ATOM 0 H ASN A 345 12.645 4.553 -13.386 1.00 0.00 H new ATOM 0 HA ASN A 345 10.810 6.367 -14.733 1.00 0.00 H new ATOM 0 HB2 ASN A 345 12.740 4.229 -15.677 1.00 0.00 H new ATOM 0 HB3 ASN A 345 11.660 5.077 -16.766 1.00 0.00 H new ATOM 0 HD21 ASN A 345 13.363 8.327 -15.695 1.00 0.00 H new ATOM 0 HD22 ASN A 345 11.770 7.651 -15.342 1.00 0.00 H new ATOM 474 N CYS A 346 9.276 4.239 -13.764 1.00 0.00 N ATOM 475 CA CYS A 346 8.102 3.399 -13.748 1.00 0.00 C ATOM 476 C CYS A 346 7.146 3.875 -12.659 1.00 0.00 C ATOM 477 O CYS A 346 6.080 4.404 -12.963 1.00 0.00 O ATOM 478 CB CYS A 346 8.495 1.938 -13.520 1.00 0.00 C ATOM 479 SG CYS A 346 7.097 0.789 -13.476 1.00 0.00 S ATOM 0 H CYS A 346 9.466 4.704 -12.876 1.00 0.00 H new ATOM 0 HA CYS A 346 7.600 3.468 -14.713 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.179 1.630 -14.311 1.00 0.00 H new ATOM 0 HB3 CYS A 346 9.041 1.863 -12.580 1.00 0.00 H new ATOM 0 HG CYS A 346 6.029 1.419 -13.086 1.00 0.00 H new ATOM 484 N TYR A 347 7.561 3.703 -11.394 1.00 0.00 N ATOM 485 CA TYR A 347 6.748 4.073 -10.229 1.00 0.00 C ATOM 486 C TYR A 347 5.272 3.740 -10.430 1.00 0.00 C ATOM 487 O TYR A 347 4.446 4.619 -10.688 1.00 0.00 O ATOM 488 CB TYR A 347 6.918 5.556 -9.887 1.00 0.00 C ATOM 489 CG TYR A 347 8.170 5.870 -9.094 1.00 0.00 C ATOM 490 CD1 TYR A 347 8.526 5.102 -7.990 1.00 0.00 C ATOM 491 CD2 TYR A 347 8.990 6.933 -9.446 1.00 0.00 C ATOM 492 CE1 TYR A 347 9.663 5.390 -7.257 1.00 0.00 C ATOM 493 CE2 TYR A 347 10.128 7.228 -8.716 1.00 0.00 C ATOM 494 CZ TYR A 347 10.460 6.452 -7.626 1.00 0.00 C ATOM 495 OH TYR A 347 11.592 6.747 -6.896 1.00 0.00 O ATOM 0 H TYR A 347 8.468 3.304 -11.152 1.00 0.00 H new ATOM 0 HA TYR A 347 7.109 3.478 -9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 347 6.934 6.131 -10.813 1.00 0.00 H new ATOM 0 HB3 TYR A 347 6.049 5.889 -9.320 1.00 0.00 H new ATOM 0 HD1 TYR A 347 7.905 4.267 -7.701 1.00 0.00 H new ATOM 0 HD2 TYR A 347 8.736 7.539 -10.303 1.00 0.00 H new ATOM 0 HE1 TYR A 347 9.925 4.786 -6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 347 10.753 8.062 -8.999 1.00 0.00 H new ATOM 0 HH TYR A 347 12.042 7.524 -7.289 1.00 0.00 H new ATOM 505 N THR A 348 4.946 2.466 -10.307 1.00 0.00 N ATOM 506 CA THR A 348 3.596 1.999 -10.585 1.00 0.00 C ATOM 507 C THR A 348 2.784 1.943 -9.295 1.00 0.00 C ATOM 508 O THR A 348 3.208 1.321 -8.329 1.00 0.00 O ATOM 509 CB THR A 348 3.618 0.599 -11.231 1.00 0.00 C ATOM 510 OG1 THR A 348 4.708 0.499 -12.176 1.00 0.00 O ATOM 511 CG2 THR A 348 2.305 0.316 -11.943 1.00 0.00 C ATOM 0 H THR A 348 5.596 1.735 -10.017 1.00 0.00 H new ATOM 0 HA THR A 348 3.135 2.701 -11.280 1.00 0.00 H new ATOM 0 HB THR A 348 3.758 -0.136 -10.439 1.00 0.00 H new ATOM 0 HG1 THR A 348 5.562 0.565 -11.699 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.341 -0.677 -12.392 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.485 0.360 -11.226 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.146 1.061 -12.722 1.00 0.00 H new ATOM 519 N ALA A 349 1.622 2.573 -9.283 1.00 0.00 N ATOM 520 CA ALA A 349 0.838 2.684 -8.061 1.00 0.00 C ATOM 521 C ALA A 349 -0.287 1.660 -8.015 1.00 0.00 C ATOM 522 O ALA A 349 -0.983 1.434 -9.008 1.00 0.00 O ATOM 523 CB ALA A 349 0.283 4.089 -7.920 1.00 0.00 C ATOM 0 H ALA A 349 1.200 3.014 -10.100 1.00 0.00 H new ATOM 0 HA ALA A 349 1.502 2.477 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.301 4.159 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.106 4.803 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.355 4.316 -8.774 1.00 0.00 H new ATOM 529 N PHE A 350 -0.441 1.031 -6.859 1.00 0.00 N ATOM 530 CA PHE A 350 -1.510 0.072 -6.632 1.00 0.00 C ATOM 531 C PHE A 350 -1.801 -0.046 -5.141 1.00 0.00 C ATOM 532 O PHE A 350 -0.992 0.349 -4.310 1.00 0.00 O ATOM 533 CB PHE A 350 -1.172 -1.298 -7.243 1.00 0.00 C ATOM 534 CG PHE A 350 0.192 -1.832 -6.893 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.324 -1.347 -7.527 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.340 -2.829 -5.944 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.574 -1.841 -7.221 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.592 -3.328 -5.635 1.00 0.00 C ATOM 539 CZ PHE A 350 2.709 -2.833 -6.274 1.00 0.00 C ATOM 0 H PHE A 350 0.170 1.171 -6.055 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.408 0.435 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.922 -2.019 -6.918 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.249 -1.224 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.226 -0.571 -8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.531 -3.221 -5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.447 -1.451 -7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.695 -4.106 -4.893 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.687 -3.222 -6.033 1.00 0.00 H new ATOM 549 N HIS A 351 -2.969 -0.571 -4.806 1.00 0.00 N ATOM 550 CA HIS A 351 -3.384 -0.669 -3.410 1.00 0.00 C ATOM 551 C HIS A 351 -2.727 -1.865 -2.739 1.00 0.00 C ATOM 552 O HIS A 351 -2.444 -2.867 -3.395 1.00 0.00 O ATOM 553 CB HIS A 351 -4.907 -0.796 -3.294 1.00 0.00 C ATOM 554 CG HIS A 351 -5.666 0.406 -3.769 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.603 0.361 -4.799 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.643 1.688 -3.333 1.00 0.00 C ATOM 557 CE1 HIS A 351 -7.114 1.584 -4.956 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.546 2.398 -4.086 1.00 0.00 N ATOM 0 H HIS A 351 -3.646 -0.935 -5.476 1.00 0.00 H new ATOM 0 HA HIS A 351 -3.068 0.246 -2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -5.232 -1.665 -3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -5.165 -0.986 -2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -5.027 2.081 -2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.869 1.862 -5.677 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.745 3.394 -3.989 1.00 0.00 H new ATOM 566 N VAL A 352 -2.509 -1.762 -1.435 1.00 0.00 N ATOM 567 CA VAL A 352 -1.924 -2.857 -0.664 1.00 0.00 C ATOM 568 C VAL A 352 -2.814 -4.096 -0.741 1.00 0.00 C ATOM 569 O VAL A 352 -2.329 -5.226 -0.833 1.00 0.00 O ATOM 570 CB VAL A 352 -1.716 -2.458 0.815 1.00 0.00 C ATOM 571 CG1 VAL A 352 -1.053 -3.583 1.597 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.890 -1.183 0.911 1.00 0.00 C ATOM 0 H VAL A 352 -2.728 -0.931 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.950 -3.082 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.695 -2.273 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.919 -3.275 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.683 -4.472 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 352 -0.082 -3.809 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.753 -0.916 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.083 -1.344 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -1.408 -0.374 0.395 1.00 0.00 H new ATOM 582 N THR A 353 -4.123 -3.873 -0.720 1.00 0.00 N ATOM 583 CA THR A 353 -5.083 -4.956 -0.868 1.00 0.00 C ATOM 584 C THR A 353 -5.041 -5.523 -2.288 1.00 0.00 C ATOM 585 O THR A 353 -5.304 -6.703 -2.502 1.00 0.00 O ATOM 586 CB THR A 353 -6.523 -4.492 -0.530 1.00 0.00 C ATOM 587 OG1 THR A 353 -7.438 -5.593 -0.630 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.975 -3.371 -1.455 1.00 0.00 C ATOM 0 H THR A 353 -4.542 -2.951 -0.602 1.00 0.00 H new ATOM 0 HA THR A 353 -4.803 -5.737 -0.162 1.00 0.00 H new ATOM 0 HB THR A 353 -6.517 -4.115 0.493 1.00 0.00 H new ATOM 0 HG1 THR A 353 -8.343 -5.287 -0.413 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.989 -3.068 -1.192 1.00 0.00 H new ATOM 0 HG22 THR A 353 -6.303 -2.519 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.958 -3.721 -2.487 1.00 0.00 H new ATOM 596 N CYS A 354 -4.673 -4.680 -3.252 1.00 0.00 N ATOM 597 CA CYS A 354 -4.615 -5.092 -4.649 1.00 0.00 C ATOM 598 C CYS A 354 -3.372 -5.934 -4.907 1.00 0.00 C ATOM 599 O CYS A 354 -3.397 -6.851 -5.720 1.00 0.00 O ATOM 600 CB CYS A 354 -4.619 -3.873 -5.576 1.00 0.00 C ATOM 601 SG CYS A 354 -6.106 -2.842 -5.460 1.00 0.00 S ATOM 0 H CYS A 354 -4.411 -3.708 -3.089 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.500 -5.693 -4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.748 -3.258 -5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.509 -4.215 -6.605 1.00 0.00 H new ATOM 0 HG CYS A 354 -6.216 -2.117 -6.533 1.00 0.00 H new ATOM 606 N ALA A 355 -2.293 -5.617 -4.202 1.00 0.00 N ATOM 607 CA ALA A 355 -1.042 -6.351 -4.344 1.00 0.00 C ATOM 608 C ALA A 355 -1.208 -7.794 -3.899 1.00 0.00 C ATOM 609 O ALA A 355 -0.784 -8.725 -4.586 1.00 0.00 O ATOM 610 CB ALA A 355 0.057 -5.674 -3.542 1.00 0.00 C ATOM 0 H ALA A 355 -2.259 -4.855 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.762 -6.350 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 355 0.987 -6.232 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.198 -4.656 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.224 -5.648 -2.489 1.00 0.00 H new ATOM 616 N GLN A 356 -1.837 -7.969 -2.747 1.00 0.00 N ATOM 617 CA GLN A 356 -2.108 -9.296 -2.212 1.00 0.00 C ATOM 618 C GLN A 356 -3.198 -9.986 -3.026 1.00 0.00 C ATOM 619 O GLN A 356 -3.281 -11.212 -3.067 1.00 0.00 O ATOM 620 CB GLN A 356 -2.532 -9.191 -0.749 1.00 0.00 C ATOM 621 CG GLN A 356 -1.481 -8.550 0.141 1.00 0.00 C ATOM 622 CD GLN A 356 -1.994 -8.299 1.543 1.00 0.00 C ATOM 623 OE1 GLN A 356 -1.886 -9.155 2.423 1.00 0.00 O ATOM 624 NE2 GLN A 356 -2.554 -7.121 1.763 1.00 0.00 N ATOM 0 H GLN A 356 -2.171 -7.204 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 356 -1.198 -9.892 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.453 -8.611 -0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.757 -10.188 -0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.604 -9.195 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.160 -7.607 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -2.624 -6.440 1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.916 -6.893 2.689 1.00 0.00 H new ATOM 633 N LYS A 357 -4.024 -9.180 -3.676 1.00 0.00 N ATOM 634 CA LYS A 357 -5.125 -9.686 -4.480 1.00 0.00 C ATOM 635 C LYS A 357 -4.605 -10.222 -5.808 1.00 0.00 C ATOM 636 O LYS A 357 -5.108 -11.216 -6.331 1.00 0.00 O ATOM 637 CB LYS A 357 -6.130 -8.564 -4.724 1.00 0.00 C ATOM 638 CG LYS A 357 -7.557 -9.038 -4.925 1.00 0.00 C ATOM 639 CD LYS A 357 -8.518 -7.863 -5.062 1.00 0.00 C ATOM 640 CE LYS A 357 -8.380 -6.862 -3.916 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.516 -7.496 -2.575 1.00 0.00 N ATOM 0 H LYS A 357 -3.951 -8.163 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.615 -10.501 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -6.103 -7.877 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.820 -7.999 -5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.613 -9.662 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.858 -9.660 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.334 -7.355 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -9.542 -8.236 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -7.409 -6.371 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -9.138 -6.086 -4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -8.297 -6.797 -1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.490 -7.838 -2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -7.856 -8.296 -2.501 1.00 0.00 H new ATOM 655 N ALA A 358 -3.598 -9.552 -6.354 1.00 0.00 N ATOM 656 CA ALA A 358 -2.987 -9.977 -7.602 1.00 0.00 C ATOM 657 C ALA A 358 -1.954 -11.071 -7.359 1.00 0.00 C ATOM 658 O ALA A 358 -1.841 -12.014 -8.142 1.00 0.00 O ATOM 659 CB ALA A 358 -2.348 -8.792 -8.310 1.00 0.00 C ATOM 0 H ALA A 358 -3.188 -8.710 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.770 -10.386 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.895 -9.127 -9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.110 -8.043 -8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.581 -8.356 -7.670 1.00 0.00 H new ATOM 665 N GLY A 359 -1.216 -10.951 -6.262 1.00 0.00 N ATOM 666 CA GLY A 359 -0.159 -11.899 -5.974 1.00 0.00 C ATOM 667 C GLY A 359 1.077 -11.610 -6.797 1.00 0.00 C ATOM 668 O GLY A 359 1.561 -12.470 -7.534 1.00 0.00 O ATOM 0 H GLY A 359 -1.332 -10.213 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.090 -11.859 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.508 -12.911 -6.181 1.00 0.00 H new ATOM 672 N LEU A 360 1.582 -10.393 -6.669 1.00 0.00 N ATOM 673 CA LEU A 360 2.700 -9.932 -7.481 1.00 0.00 C ATOM 674 C LEU A 360 4.034 -10.076 -6.747 1.00 0.00 C ATOM 675 O LEU A 360 4.104 -10.665 -5.666 1.00 0.00 O ATOM 676 CB LEU A 360 2.460 -8.481 -7.929 1.00 0.00 C ATOM 677 CG LEU A 360 1.951 -7.513 -6.848 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.069 -7.091 -5.905 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.310 -6.296 -7.494 1.00 0.00 C ATOM 0 H LEU A 360 1.233 -9.701 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 360 2.761 -10.565 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.394 -8.087 -8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.740 -8.490 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 360 1.201 -8.036 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.673 -6.407 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.481 -7.972 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.854 -6.592 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.953 -5.618 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.045 -5.783 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.471 -6.612 -8.113 1.00 0.00 H new ATOM 691 N TYR A 361 5.088 -9.537 -7.348 1.00 0.00 N ATOM 692 CA TYR A 361 6.442 -9.682 -6.827 1.00 0.00 C ATOM 693 C TYR A 361 6.752 -8.624 -5.772 1.00 0.00 C ATOM 694 O TYR A 361 6.501 -7.434 -5.970 1.00 0.00 O ATOM 695 CB TYR A 361 7.448 -9.590 -7.980 1.00 0.00 C ATOM 696 CG TYR A 361 8.900 -9.649 -7.552 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.570 -10.862 -7.452 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.602 -8.486 -7.258 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.897 -10.914 -7.070 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.926 -8.530 -6.873 1.00 0.00 C ATOM 701 CZ TYR A 361 11.572 -9.745 -6.781 1.00 0.00 C ATOM 702 OH TYR A 361 12.896 -9.792 -6.407 1.00 0.00 O ATOM 0 H TYR A 361 5.029 -8.989 -8.207 1.00 0.00 H new ATOM 0 HA TYR A 361 6.521 -10.658 -6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.255 -10.403 -8.680 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.279 -8.658 -8.520 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.045 -11.779 -7.676 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.102 -7.531 -7.332 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.404 -11.865 -6.998 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.455 -7.616 -6.644 1.00 0.00 H new ATOM 0 HH TYR A 361 13.346 -8.970 -6.694 1.00 0.00 H new ATOM 712 N MET A 362 7.309 -9.064 -4.655 1.00 0.00 N ATOM 713 CA MET A 362 7.719 -8.157 -3.596 1.00 0.00 C ATOM 714 C MET A 362 9.177 -8.389 -3.225 1.00 0.00 C ATOM 715 O MET A 362 9.669 -9.517 -3.255 1.00 0.00 O ATOM 716 CB MET A 362 6.828 -8.318 -2.361 1.00 0.00 C ATOM 717 CG MET A 362 5.478 -7.630 -2.490 1.00 0.00 C ATOM 718 SD MET A 362 4.410 -7.908 -1.062 1.00 0.00 S ATOM 719 CE MET A 362 3.003 -6.889 -1.500 1.00 0.00 C ATOM 0 H MET A 362 7.488 -10.049 -4.458 1.00 0.00 H new ATOM 0 HA MET A 362 7.611 -7.138 -3.968 1.00 0.00 H new ATOM 0 HB2 MET A 362 6.669 -9.380 -2.174 1.00 0.00 H new ATOM 0 HB3 MET A 362 7.350 -7.916 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.632 -6.559 -2.619 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.976 -7.990 -3.388 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.425 -6.662 -0.604 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.353 -5.960 -1.951 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.374 -7.424 -2.212 1.00 0.00 H new ATOM 729 N LYS A 363 9.857 -7.308 -2.889 1.00 0.00 N ATOM 730 CA LYS A 363 11.248 -7.353 -2.482 1.00 0.00 C ATOM 731 C LYS A 363 11.347 -7.014 -1.002 1.00 0.00 C ATOM 732 O LYS A 363 10.942 -5.937 -0.577 1.00 0.00 O ATOM 733 CB LYS A 363 12.063 -6.350 -3.305 1.00 0.00 C ATOM 734 CG LYS A 363 13.104 -6.990 -4.212 1.00 0.00 C ATOM 735 CD LYS A 363 14.270 -7.556 -3.418 1.00 0.00 C ATOM 736 CE LYS A 363 15.389 -8.031 -4.331 1.00 0.00 C ATOM 737 NZ LYS A 363 16.600 -8.430 -3.567 1.00 0.00 N ATOM 0 H LYS A 363 9.457 -6.370 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 363 11.647 -8.353 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.381 -5.757 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 363 12.564 -5.661 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 363 12.639 -7.786 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.473 -6.250 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 363 14.652 -6.794 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.924 -8.387 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.039 -8.877 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.648 -7.237 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 17.265 -8.918 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 17.056 -7.583 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 16.327 -9.069 -2.793 1.00 0.00 H new ATOM 751 N MET A 364 11.895 -7.916 -0.218 1.00 0.00 N ATOM 752 CA MET A 364 11.952 -7.725 1.216 1.00 0.00 C ATOM 753 C MET A 364 13.401 -7.754 1.619 1.00 0.00 C ATOM 754 O MET A 364 14.038 -8.807 1.625 1.00 0.00 O ATOM 755 CB MET A 364 11.156 -8.802 1.959 1.00 0.00 C ATOM 756 CG MET A 364 9.731 -8.967 1.460 1.00 0.00 C ATOM 757 SD MET A 364 8.789 -10.157 2.433 1.00 0.00 S ATOM 758 CE MET A 364 7.240 -10.176 1.533 1.00 0.00 C ATOM 0 H MET A 364 12.307 -8.789 -0.548 1.00 0.00 H new ATOM 0 HA MET A 364 11.500 -6.769 1.482 1.00 0.00 H new ATOM 0 HB2 MET A 364 11.677 -9.755 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 364 11.133 -8.556 3.021 1.00 0.00 H new ATOM 0 HG2 MET A 364 9.227 -8.001 1.487 1.00 0.00 H new ATOM 0 HG3 MET A 364 9.750 -9.288 0.419 1.00 0.00 H new ATOM 0 HE1 MET A 364 6.549 -10.868 2.013 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.808 -9.175 1.531 1.00 0.00 H new ATOM 0 HE3 MET A 364 7.419 -10.496 0.507 1.00 0.00 H new ATOM 768 N GLU A 365 13.920 -6.593 1.925 1.00 0.00 N ATOM 769 CA GLU A 365 15.345 -6.414 2.041 1.00 0.00 C ATOM 770 C GLU A 365 15.744 -6.033 3.458 1.00 0.00 C ATOM 771 O GLU A 365 15.250 -5.047 4.003 1.00 0.00 O ATOM 772 CB GLU A 365 15.764 -5.331 1.053 1.00 0.00 C ATOM 773 CG GLU A 365 15.615 -5.741 -0.404 1.00 0.00 C ATOM 774 CD GLU A 365 16.703 -6.687 -0.866 1.00 0.00 C ATOM 775 OE1 GLU A 365 16.945 -7.709 -0.192 1.00 0.00 O ATOM 776 OE2 GLU A 365 17.315 -6.423 -1.919 1.00 0.00 O ATOM 0 H GLU A 365 13.372 -5.751 2.100 1.00 0.00 H new ATOM 0 HA GLU A 365 15.851 -7.352 1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 365 15.167 -4.437 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 365 16.804 -5.063 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 365 14.644 -6.216 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 365 15.627 -4.849 -1.030 1.00 0.00 H new ATOM 783 N PRO A 366 16.626 -6.821 4.082 1.00 0.00 N ATOM 784 CA PRO A 366 17.193 -6.493 5.383 1.00 0.00 C ATOM 785 C PRO A 366 18.237 -5.392 5.257 1.00 0.00 C ATOM 786 O PRO A 366 19.371 -5.638 4.848 1.00 0.00 O ATOM 787 CB PRO A 366 17.842 -7.803 5.856 1.00 0.00 C ATOM 788 CG PRO A 366 17.439 -8.842 4.858 1.00 0.00 C ATOM 789 CD PRO A 366 17.128 -8.106 3.588 1.00 0.00 C ATOM 0 HA PRO A 366 16.442 -6.123 6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 366 18.927 -7.707 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 366 17.501 -8.069 6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 366 18.241 -9.564 4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 366 16.570 -9.400 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 366 18.013 -7.983 2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 366 16.384 -8.629 2.988 1.00 0.00 H new ATOM 797 N VAL A 367 17.841 -4.178 5.591 1.00 0.00 N ATOM 798 CA VAL A 367 18.711 -3.027 5.456 1.00 0.00 C ATOM 799 C VAL A 367 19.352 -2.666 6.786 1.00 0.00 C ATOM 800 O VAL A 367 18.704 -2.696 7.836 1.00 0.00 O ATOM 801 CB VAL A 367 17.958 -1.798 4.896 1.00 0.00 C ATOM 802 CG1 VAL A 367 17.729 -1.948 3.399 1.00 0.00 C ATOM 803 CG2 VAL A 367 16.631 -1.594 5.612 1.00 0.00 C ATOM 0 H VAL A 367 16.915 -3.964 5.961 1.00 0.00 H new ATOM 0 HA VAL A 367 19.490 -3.306 4.747 1.00 0.00 H new ATOM 0 HB VAL A 367 18.578 -0.919 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 367 17.198 -1.074 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 367 18.689 -2.036 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 367 17.135 -2.842 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 367 16.124 -0.723 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 367 16.005 -2.476 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 367 16.812 -1.436 6.675 1.00 0.00 H new ATOM 813 N LYS A 368 20.636 -2.359 6.740 1.00 0.00 N ATOM 814 CA LYS A 368 21.339 -1.890 7.916 1.00 0.00 C ATOM 815 C LYS A 368 20.940 -0.467 8.238 1.00 0.00 C ATOM 816 O LYS A 368 20.537 0.297 7.360 1.00 0.00 O ATOM 817 CB LYS A 368 22.848 -1.967 7.727 1.00 0.00 C ATOM 818 CG LYS A 368 23.400 -3.373 7.838 1.00 0.00 C ATOM 819 CD LYS A 368 24.898 -3.393 7.613 1.00 0.00 C ATOM 820 CE LYS A 368 25.647 -2.602 8.676 1.00 0.00 C ATOM 821 NZ LYS A 368 27.113 -2.617 8.441 1.00 0.00 N ATOM 0 H LYS A 368 21.211 -2.427 5.900 1.00 0.00 H new ATOM 0 HA LYS A 368 21.062 -2.540 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 368 23.105 -1.561 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 368 23.332 -1.335 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 368 23.172 -3.779 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 368 22.911 -4.017 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 368 25.251 -4.424 7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 368 25.122 -2.980 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 368 25.290 -1.572 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 368 25.432 -3.020 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 27.589 -2.068 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 27.458 -3.598 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 27.320 -2.195 7.513 1.00 0.00 H new ATOM 835 N GLU A 369 21.073 -0.119 9.496 1.00 0.00 N ATOM 836 CA GLU A 369 20.652 1.182 9.981 1.00 0.00 C ATOM 837 C GLU A 369 21.661 1.733 10.978 1.00 0.00 C ATOM 838 O GLU A 369 22.652 1.084 11.296 1.00 0.00 O ATOM 839 CB GLU A 369 19.266 1.094 10.618 1.00 0.00 C ATOM 840 CG GLU A 369 18.212 1.954 9.939 1.00 0.00 C ATOM 841 CD GLU A 369 18.548 3.433 9.970 1.00 0.00 C ATOM 842 OE1 GLU A 369 18.950 3.938 11.042 1.00 0.00 O ATOM 843 OE2 GLU A 369 18.397 4.100 8.930 1.00 0.00 O ATOM 0 H GLU A 369 21.474 -0.724 10.213 1.00 0.00 H new ATOM 0 HA GLU A 369 20.599 1.863 9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 369 18.936 0.055 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 369 19.340 1.389 11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 369 18.101 1.633 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 369 17.251 1.795 10.427 1.00 0.00 H new ATOM 850 N LEU A 370 21.396 2.934 11.446 1.00 0.00 N ATOM 851 CA LEU A 370 22.292 3.662 12.336 1.00 0.00 C ATOM 852 C LEU A 370 21.563 4.051 13.618 1.00 0.00 C ATOM 853 O LEU A 370 22.146 4.063 14.705 1.00 0.00 O ATOM 854 CB LEU A 370 22.818 4.922 11.632 1.00 0.00 C ATOM 855 CG LEU A 370 23.554 5.930 12.526 1.00 0.00 C ATOM 856 CD1 LEU A 370 24.875 5.362 13.022 1.00 0.00 C ATOM 857 CD2 LEU A 370 23.783 7.232 11.775 1.00 0.00 C ATOM 0 H LEU A 370 20.542 3.444 11.219 1.00 0.00 H new ATOM 0 HA LEU A 370 23.133 3.017 12.592 1.00 0.00 H new ATOM 0 HB2 LEU A 370 23.492 4.614 10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 370 21.976 5.430 11.161 1.00 0.00 H new ATOM 0 HG LEU A 370 22.928 6.131 13.396 1.00 0.00 H new ATOM 0 HD11 LEU A 370 25.374 6.098 13.652 1.00 0.00 H new ATOM 0 HD12 LEU A 370 24.688 4.457 13.600 1.00 0.00 H new ATOM 0 HD13 LEU A 370 25.511 5.124 12.170 1.00 0.00 H new ATOM 0 HD21 LEU A 370 24.306 7.937 12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 370 24.385 7.039 10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 370 22.823 7.654 11.478 1.00 0.00 H new ATOM 869 N THR A 371 20.280 4.354 13.480 1.00 0.00 N ATOM 870 CA THR A 371 19.477 4.822 14.598 1.00 0.00 C ATOM 871 C THR A 371 19.292 3.725 15.641 1.00 0.00 C ATOM 872 O THR A 371 18.855 2.622 15.328 1.00 0.00 O ATOM 873 CB THR A 371 18.103 5.336 14.120 1.00 0.00 C ATOM 874 OG1 THR A 371 17.504 4.399 13.210 1.00 0.00 O ATOM 875 CG2 THR A 371 18.243 6.691 13.442 1.00 0.00 C ATOM 0 H THR A 371 19.771 4.283 12.599 1.00 0.00 H new ATOM 0 HA THR A 371 20.014 5.650 15.060 1.00 0.00 H new ATOM 0 HB THR A 371 17.460 5.444 14.994 1.00 0.00 H new ATOM 0 HG1 THR A 371 17.852 4.552 12.307 1.00 0.00 H new ATOM 0 HG21 THR A 371 17.263 7.036 13.112 1.00 0.00 H new ATOM 0 HG22 THR A 371 18.662 7.409 14.147 1.00 0.00 H new ATOM 0 HG23 THR A 371 18.904 6.600 12.580 1.00 0.00 H new ATOM 883 N GLY A 372 19.647 4.029 16.876 1.00 0.00 N ATOM 884 CA GLY A 372 19.537 3.055 17.939 1.00 0.00 C ATOM 885 C GLY A 372 20.870 2.797 18.602 1.00 0.00 C ATOM 886 O GLY A 372 20.930 2.316 19.733 1.00 0.00 O ATOM 0 H GLY A 372 20.011 4.937 17.164 1.00 0.00 H new ATOM 0 HA2 GLY A 372 18.823 3.408 18.683 1.00 0.00 H new ATOM 0 HA3 GLY A 372 19.144 2.121 17.537 1.00 0.00 H new ATOM 890 N GLY A 373 21.944 3.127 17.900 1.00 0.00 N ATOM 891 CA GLY A 373 23.271 2.932 18.442 1.00 0.00 C ATOM 892 C GLY A 373 24.181 2.225 17.464 1.00 0.00 C ATOM 893 O GLY A 373 24.312 1.001 17.502 1.00 0.00 O ATOM 0 H GLY A 373 21.919 3.527 16.962 1.00 0.00 H new ATOM 0 HA2 GLY A 373 23.701 3.898 18.705 1.00 0.00 H new ATOM 0 HA3 GLY A 373 23.206 2.351 19.362 1.00 0.00 H new ATOM 897 N GLY A 374 24.794 2.992 16.574 1.00 0.00 N ATOM 898 CA GLY A 374 25.703 2.421 15.601 1.00 0.00 C ATOM 899 C GLY A 374 24.974 1.762 14.449 1.00 0.00 C ATOM 900 O GLY A 374 24.947 2.286 13.339 1.00 0.00 O ATOM 0 H GLY A 374 24.678 4.003 16.508 1.00 0.00 H new ATOM 0 HA2 GLY A 374 26.356 3.204 15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 374 26.342 1.686 16.091 1.00 0.00 H new ATOM 904 N THR A 375 24.415 0.594 14.702 1.00 0.00 N ATOM 905 CA THR A 375 23.652 -0.113 13.693 1.00 0.00 C ATOM 906 C THR A 375 22.462 -0.844 14.313 1.00 0.00 C ATOM 907 O THR A 375 22.568 -1.397 15.409 1.00 0.00 O ATOM 908 CB THR A 375 24.552 -1.123 12.939 1.00 0.00 C ATOM 909 OG1 THR A 375 25.650 -0.432 12.327 1.00 0.00 O ATOM 910 CG2 THR A 375 23.774 -1.881 11.870 1.00 0.00 C ATOM 0 H THR A 375 24.476 0.114 15.600 1.00 0.00 H new ATOM 0 HA THR A 375 23.274 0.626 12.986 1.00 0.00 H new ATOM 0 HB THR A 375 24.922 -1.845 13.667 1.00 0.00 H new ATOM 0 HG1 THR A 375 26.218 -1.075 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 375 24.439 -2.580 11.363 1.00 0.00 H new ATOM 0 HG22 THR A 375 22.957 -2.431 12.336 1.00 0.00 H new ATOM 0 HG23 THR A 375 23.369 -1.175 11.145 1.00 0.00 H new ATOM 918 N THR A 376 21.330 -0.834 13.622 1.00 0.00 N ATOM 919 CA THR A 376 20.248 -1.670 13.945 1.00 0.00 C ATOM 920 C THR A 376 19.813 -2.309 12.655 1.00 0.00 C ATOM 921 O THR A 376 20.229 -1.927 11.561 1.00 0.00 O ATOM 922 CB THR A 376 19.064 -0.919 14.602 1.00 0.00 C ATOM 923 OG1 THR A 376 18.018 -1.834 14.952 1.00 0.00 O ATOM 924 CG2 THR A 376 18.503 0.151 13.682 1.00 0.00 C ATOM 0 H THR A 376 21.164 -0.229 12.818 1.00 0.00 H new ATOM 0 HA THR A 376 20.565 -2.403 14.687 1.00 0.00 H new ATOM 0 HB THR A 376 19.447 -0.439 15.502 1.00 0.00 H new ATOM 0 HG1 THR A 376 17.279 -1.343 15.367 1.00 0.00 H new ATOM 0 HG21 THR A 376 17.674 0.657 14.176 1.00 0.00 H new ATOM 0 HG22 THR A 376 19.283 0.875 13.448 1.00 0.00 H new ATOM 0 HG23 THR A 376 18.149 -0.311 12.760 1.00 0.00 H new ATOM 932 N PHE A 377 19.003 -3.262 12.822 1.00 0.00 N ATOM 933 CA PHE A 377 18.514 -4.088 11.744 1.00 0.00 C ATOM 934 C PHE A 377 17.092 -3.696 11.376 1.00 0.00 C ATOM 935 O PHE A 377 16.179 -3.780 12.199 1.00 0.00 O ATOM 936 CB PHE A 377 18.564 -5.555 12.156 1.00 0.00 C ATOM 937 CG PHE A 377 19.034 -6.454 11.057 1.00 0.00 C ATOM 938 CD1 PHE A 377 20.364 -6.451 10.689 1.00 0.00 C ATOM 939 CD2 PHE A 377 18.156 -7.293 10.395 1.00 0.00 C ATOM 940 CE1 PHE A 377 20.821 -7.273 9.676 1.00 0.00 C ATOM 941 CE2 PHE A 377 18.602 -8.120 9.381 1.00 0.00 C ATOM 942 CZ PHE A 377 19.936 -8.109 9.020 1.00 0.00 C ATOM 0 H PHE A 377 18.631 -3.522 13.736 1.00 0.00 H new ATOM 0 HA PHE A 377 19.149 -3.939 10.871 1.00 0.00 H new ATOM 0 HB2 PHE A 377 19.226 -5.663 13.015 1.00 0.00 H new ATOM 0 HB3 PHE A 377 17.571 -5.871 12.477 1.00 0.00 H new ATOM 0 HD1 PHE A 377 21.057 -5.798 11.199 1.00 0.00 H new ATOM 0 HD2 PHE A 377 17.112 -7.302 10.673 1.00 0.00 H new ATOM 0 HE1 PHE A 377 21.865 -7.262 9.398 1.00 0.00 H new ATOM 0 HE2 PHE A 377 17.909 -8.774 8.872 1.00 0.00 H new ATOM 0 HZ PHE A 377 20.287 -8.752 8.227 1.00 0.00 H new ATOM 952 N SER A 378 16.914 -3.256 10.146 1.00 0.00 N ATOM 953 CA SER A 378 15.607 -2.868 9.657 1.00 0.00 C ATOM 954 C SER A 378 15.237 -3.700 8.439 1.00 0.00 C ATOM 955 O SER A 378 16.098 -4.051 7.638 1.00 0.00 O ATOM 956 CB SER A 378 15.610 -1.382 9.296 1.00 0.00 C ATOM 957 OG SER A 378 15.976 -0.592 10.415 1.00 0.00 O ATOM 0 H SER A 378 17.665 -3.158 9.463 1.00 0.00 H new ATOM 0 HA SER A 378 14.868 -3.043 10.439 1.00 0.00 H new ATOM 0 HB2 SER A 378 16.306 -1.204 8.476 1.00 0.00 H new ATOM 0 HB3 SER A 378 14.621 -1.087 8.945 1.00 0.00 H new ATOM 0 HG SER A 378 15.541 0.284 10.353 1.00 0.00 H new ATOM 963 N VAL A 379 13.971 -4.042 8.304 1.00 0.00 N ATOM 964 CA VAL A 379 13.519 -4.712 7.102 1.00 0.00 C ATOM 965 C VAL A 379 12.795 -3.714 6.222 1.00 0.00 C ATOM 966 O VAL A 379 11.951 -2.949 6.691 1.00 0.00 O ATOM 967 CB VAL A 379 12.579 -5.895 7.384 1.00 0.00 C ATOM 968 CG1 VAL A 379 12.451 -6.786 6.156 1.00 0.00 C ATOM 969 CG2 VAL A 379 13.049 -6.696 8.590 1.00 0.00 C ATOM 0 H VAL A 379 13.246 -3.870 9.001 1.00 0.00 H new ATOM 0 HA VAL A 379 14.405 -5.113 6.609 1.00 0.00 H new ATOM 0 HB VAL A 379 11.593 -5.492 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 379 11.781 -7.617 6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 379 12.047 -6.206 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 379 13.433 -7.174 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 379 12.364 -7.526 8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 379 14.050 -7.085 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 379 13.070 -6.052 9.469 1.00 0.00 H new ATOM 979 N ARG A 380 13.133 -3.722 4.958 1.00 0.00 N ATOM 980 CA ARG A 380 12.552 -2.799 4.005 1.00 0.00 C ATOM 981 C ARG A 380 11.732 -3.572 2.993 1.00 0.00 C ATOM 982 O ARG A 380 12.284 -4.235 2.113 1.00 0.00 O ATOM 983 CB ARG A 380 13.642 -2.004 3.284 1.00 0.00 C ATOM 984 CG ARG A 380 13.133 -0.735 2.619 1.00 0.00 C ATOM 985 CD ARG A 380 14.161 -0.161 1.657 1.00 0.00 C ATOM 986 NE ARG A 380 13.993 1.281 1.470 1.00 0.00 N ATOM 987 CZ ARG A 380 13.340 1.847 0.451 1.00 0.00 C ATOM 988 NH1 ARG A 380 12.753 1.101 -0.481 1.00 0.00 N ATOM 989 NH2 ARG A 380 13.273 3.171 0.368 1.00 0.00 N ATOM 0 H ARG A 380 13.816 -4.365 4.557 1.00 0.00 H new ATOM 0 HA ARG A 380 11.913 -2.098 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 380 14.421 -1.741 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 380 14.104 -2.640 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 380 12.210 -0.950 2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 380 12.893 0.006 3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 380 15.163 -0.363 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 380 14.076 -0.664 0.694 1.00 0.00 H new ATOM 0 HE ARG A 380 14.405 1.899 2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 380 12.798 0.084 -0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 380 12.258 1.546 -1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 380 13.719 3.750 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 380 12.776 3.609 -0.408 1.00 0.00 H new ATOM 1003 N LYS A 381 10.423 -3.513 3.132 1.00 0.00 N ATOM 1004 CA LYS A 381 9.550 -4.215 2.219 1.00 0.00 C ATOM 1005 C LYS A 381 9.180 -3.303 1.059 1.00 0.00 C ATOM 1006 O LYS A 381 8.446 -2.331 1.219 1.00 0.00 O ATOM 1007 CB LYS A 381 8.293 -4.706 2.932 1.00 0.00 C ATOM 1008 CG LYS A 381 7.556 -5.799 2.173 1.00 0.00 C ATOM 1009 CD LYS A 381 6.179 -6.060 2.760 1.00 0.00 C ATOM 1010 CE LYS A 381 6.256 -6.532 4.206 1.00 0.00 C ATOM 1011 NZ LYS A 381 4.907 -6.773 4.786 1.00 0.00 N ATOM 0 H LYS A 381 9.944 -2.989 3.865 1.00 0.00 H new ATOM 0 HA LYS A 381 10.079 -5.087 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.567 -5.080 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.619 -3.863 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.457 -5.512 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 381 8.142 -6.718 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.584 -5.149 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.665 -6.811 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.842 -7.450 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.780 -5.786 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.005 -7.093 5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.356 -5.891 4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.416 -7.504 4.232 1.00 0.00 H new ATOM 1025 N THR A 382 9.724 -3.618 -0.094 1.00 0.00 N ATOM 1026 CA THR A 382 9.480 -2.869 -1.311 1.00 0.00 C ATOM 1027 C THR A 382 8.794 -3.794 -2.310 1.00 0.00 C ATOM 1028 O THR A 382 8.872 -5.008 -2.169 1.00 0.00 O ATOM 1029 CB THR A 382 10.814 -2.336 -1.877 1.00 0.00 C ATOM 1030 OG1 THR A 382 11.500 -1.599 -0.856 1.00 0.00 O ATOM 1031 CG2 THR A 382 10.601 -1.441 -3.089 1.00 0.00 C ATOM 0 H THR A 382 10.355 -4.409 -0.217 1.00 0.00 H new ATOM 0 HA THR A 382 8.838 -2.011 -1.110 1.00 0.00 H new ATOM 0 HB THR A 382 11.408 -3.192 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 382 12.426 -1.914 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 382 11.565 -1.088 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 382 10.099 -2.006 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 382 9.986 -0.587 -2.807 1.00 0.00 H new ATOM 1039 N ALA A 383 8.097 -3.256 -3.290 1.00 0.00 N ATOM 1040 CA ALA A 383 7.406 -4.111 -4.233 1.00 0.00 C ATOM 1041 C ALA A 383 7.567 -3.625 -5.660 1.00 0.00 C ATOM 1042 O ALA A 383 7.821 -2.444 -5.915 1.00 0.00 O ATOM 1043 CB ALA A 383 5.932 -4.220 -3.870 1.00 0.00 C ATOM 0 H ALA A 383 7.995 -2.254 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 383 7.860 -5.100 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.427 -4.866 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.834 -4.643 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.478 -3.229 -3.891 1.00 0.00 H new ATOM 1049 N TYR A 384 7.444 -4.556 -6.585 1.00 0.00 N ATOM 1050 CA TYR A 384 7.398 -4.238 -7.993 1.00 0.00 C ATOM 1051 C TYR A 384 6.052 -4.689 -8.529 1.00 0.00 C ATOM 1052 O TYR A 384 5.586 -5.777 -8.203 1.00 0.00 O ATOM 1053 CB TYR A 384 8.550 -4.900 -8.754 1.00 0.00 C ATOM 1054 CG TYR A 384 9.912 -4.355 -8.373 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.429 -3.222 -8.994 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.680 -4.967 -7.389 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.665 -2.722 -8.648 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.919 -4.465 -7.035 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.406 -3.343 -7.670 1.00 0.00 C ATOM 1060 OH TYR A 384 13.632 -2.825 -7.314 1.00 0.00 O ATOM 0 H TYR A 384 7.373 -5.553 -6.379 1.00 0.00 H new ATOM 0 HA TYR A 384 7.514 -3.163 -8.134 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.531 -5.974 -8.567 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.397 -4.760 -9.824 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.851 -2.726 -9.760 1.00 0.00 H new ATOM 0 HD2 TYR A 384 10.303 -5.849 -6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 384 12.051 -1.844 -9.144 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.502 -4.949 -6.265 1.00 0.00 H new ATOM 0 HH TYR A 384 13.506 -2.110 -6.655 1.00 0.00 H new ATOM 1070 N CYS A 385 5.427 -3.847 -9.334 1.00 0.00 N ATOM 1071 CA CYS A 385 4.064 -4.105 -9.790 1.00 0.00 C ATOM 1072 C CYS A 385 3.980 -5.380 -10.626 1.00 0.00 C ATOM 1073 O CYS A 385 4.976 -5.842 -11.175 1.00 0.00 O ATOM 1074 CB CYS A 385 3.545 -2.911 -10.597 1.00 0.00 C ATOM 1075 SG CYS A 385 4.657 -2.351 -11.917 1.00 0.00 S ATOM 0 H CYS A 385 5.836 -2.981 -9.686 1.00 0.00 H new ATOM 0 HA CYS A 385 3.439 -4.245 -8.908 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.584 -3.177 -11.038 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.364 -2.080 -9.916 1.00 0.00 H new ATOM 0 HG CYS A 385 5.017 -1.123 -11.689 1.00 0.00 H new ATOM 1080 N ASP A 386 2.780 -5.944 -10.698 1.00 0.00 N ATOM 1081 CA ASP A 386 2.536 -7.161 -11.474 1.00 0.00 C ATOM 1082 C ASP A 386 2.993 -6.992 -12.923 1.00 0.00 C ATOM 1083 O ASP A 386 3.552 -7.906 -13.527 1.00 0.00 O ATOM 1084 CB ASP A 386 1.048 -7.514 -11.430 1.00 0.00 C ATOM 1085 CG ASP A 386 0.712 -8.721 -12.281 1.00 0.00 C ATOM 1086 OD1 ASP A 386 1.141 -9.837 -11.935 1.00 0.00 O ATOM 1087 OD2 ASP A 386 0.004 -8.559 -13.297 1.00 0.00 O ATOM 0 H ASP A 386 1.954 -5.577 -10.226 1.00 0.00 H new ATOM 0 HA ASP A 386 3.114 -7.972 -11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.754 -7.708 -10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.465 -6.659 -11.772 1.00 0.00 H new ATOM 1092 N VAL A 387 2.776 -5.803 -13.458 1.00 0.00 N ATOM 1093 CA VAL A 387 3.164 -5.482 -14.826 1.00 0.00 C ATOM 1094 C VAL A 387 4.575 -4.891 -14.879 1.00 0.00 C ATOM 1095 O VAL A 387 4.876 -4.040 -15.714 1.00 0.00 O ATOM 1096 CB VAL A 387 2.168 -4.493 -15.469 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.812 -5.156 -15.658 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.026 -3.234 -14.623 1.00 0.00 C ATOM 0 H VAL A 387 2.328 -5.033 -12.961 1.00 0.00 H new ATOM 0 HA VAL A 387 3.152 -6.415 -15.390 1.00 0.00 H new ATOM 0 HB VAL A 387 2.559 -4.205 -16.445 1.00 0.00 H new ATOM 0 HG11 VAL A 387 0.120 -4.447 -16.112 1.00 0.00 H new ATOM 0 HG12 VAL A 387 0.919 -6.025 -16.307 1.00 0.00 H new ATOM 0 HG13 VAL A 387 0.424 -5.472 -14.690 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.319 -2.554 -15.098 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.662 -3.501 -13.631 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.996 -2.744 -14.534 1.00 0.00 H new ATOM 1108 N HIS A 388 5.441 -5.331 -13.976 1.00 0.00 N ATOM 1109 CA HIS A 388 6.799 -4.801 -13.912 1.00 0.00 C ATOM 1110 C HIS A 388 7.819 -5.854 -14.342 1.00 0.00 C ATOM 1111 O HIS A 388 9.020 -5.604 -14.323 1.00 0.00 O ATOM 1112 CB HIS A 388 7.110 -4.323 -12.493 1.00 0.00 C ATOM 1113 CG HIS A 388 8.163 -3.261 -12.415 1.00 0.00 C ATOM 1114 ND1 HIS A 388 7.878 -1.929 -12.144 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.508 -3.342 -12.540 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.025 -1.254 -12.110 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.018 -2.086 -12.348 1.00 0.00 N ATOM 0 H HIS A 388 5.231 -6.048 -13.282 1.00 0.00 H new ATOM 0 HA HIS A 388 6.867 -3.957 -14.599 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.194 -3.943 -12.042 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.428 -5.178 -11.896 1.00 0.00 H new ATOM 0 HD2 HIS A 388 10.076 -4.236 -12.753 1.00 0.00 H new ATOM 0 HE1 HIS A 388 9.125 -0.196 -11.918 1.00 0.00 H new ATOM 0 HE2 HIS A 388 11.006 -1.835 -12.383 1.00 0.00 H new ATOM 1125 N THR A 389 7.345 -7.030 -14.719 1.00 0.00 N ATOM 1126 CA THR A 389 8.242 -8.090 -15.151 1.00 0.00 C ATOM 1127 C THR A 389 8.633 -7.959 -16.633 1.00 0.00 C ATOM 1128 O THR A 389 9.822 -8.020 -16.956 1.00 0.00 O ATOM 1129 CB THR A 389 7.657 -9.488 -14.857 1.00 0.00 C ATOM 1130 OG1 THR A 389 6.225 -9.427 -14.799 1.00 0.00 O ATOM 1131 CG2 THR A 389 8.201 -10.026 -13.544 1.00 0.00 C ATOM 0 H THR A 389 6.355 -7.274 -14.735 1.00 0.00 H new ATOM 0 HA THR A 389 9.154 -7.977 -14.565 1.00 0.00 H new ATOM 0 HB THR A 389 7.952 -10.159 -15.664 1.00 0.00 H new ATOM 0 HG1 THR A 389 5.867 -10.320 -14.614 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.778 -11.012 -13.352 1.00 0.00 H new ATOM 0 HG22 THR A 389 9.287 -10.102 -13.604 1.00 0.00 H new ATOM 0 HG23 THR A 389 7.929 -9.350 -12.733 1.00 0.00 H new ATOM 1139 N PRO A 390 7.665 -7.791 -17.568 1.00 0.00 N ATOM 1140 CA PRO A 390 7.989 -7.541 -18.977 1.00 0.00 C ATOM 1141 C PRO A 390 8.794 -6.243 -19.195 1.00 0.00 C ATOM 1142 O PRO A 390 9.832 -6.281 -19.861 1.00 0.00 O ATOM 1143 CB PRO A 390 6.625 -7.492 -19.681 1.00 0.00 C ATOM 1144 CG PRO A 390 5.671 -8.141 -18.737 1.00 0.00 C ATOM 1145 CD PRO A 390 6.207 -7.886 -17.355 1.00 0.00 C ATOM 0 HA PRO A 390 8.639 -8.319 -19.376 1.00 0.00 H new ATOM 0 HB2 PRO A 390 6.329 -6.465 -19.895 1.00 0.00 H new ATOM 0 HB3 PRO A 390 6.655 -8.020 -20.634 1.00 0.00 H new ATOM 0 HG2 PRO A 390 4.670 -7.725 -18.849 1.00 0.00 H new ATOM 0 HG3 PRO A 390 5.596 -9.210 -18.934 1.00 0.00 H new ATOM 0 HD2 PRO A 390 5.802 -6.968 -16.930 1.00 0.00 H new ATOM 0 HD3 PRO A 390 5.952 -8.694 -16.669 1.00 0.00 H new