USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=27 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 -127:sc= 2.29 USER MOD Set 1.2: A 346 CYS SG : rot -55:sc= -3.07! USER MOD Set 1.3: A 348 THR OG1 : rot 165:sc= 1.31! USER MOD Set 1.4: A 385 CYS SG : rot -76:sc= -4.4! USER MOD Set 1.5: A 388 HIS : no HE2:sc= -3.89! C(o=-7.7!,f=-16!) USER MOD Set 2.1: A 368 LYS NZ :NH3+ -165:sc= 0.227 (180deg=0) USER MOD Set 2.2: A 375 THR OG1 : rot 180:sc= 0.21 USER MOD Set 3.1: A 364 MET CE :methyl -165:sc= -0.0293 (180deg=-0.255) USER MOD Set 3.2: A 381 LYS NZ :NH3+ 149:sc= 1.06 (180deg=0.202) USER MOD Set 4.1: A 327 CYS SG : rot -174:sc= 0.994 USER MOD Set 4.2: A 330 CYS SG : rot -66:sc= -1.6! USER MOD Set 4.3: A 338 SER OG : rot 180:sc= 0 USER MOD Set 4.4: A 351 HIS : no HD1:sc= -1.83 K(o=-4.5,f=-12!) USER MOD Set 4.5: A 354 CYS SG : rot -162:sc= -2.07! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot -146:sc= 1.17 USER MOD Single : A 331 LYS NZ :NH3+ -160:sc= -0.104 (180deg=-0.481) USER MOD Single : A 332 GLN : amide:sc= -0.754 K(o=-0.75,f=0) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 GLN : amide:sc= -2.62! X(o=-2.6!,f=-2.1) USER MOD Single : A 342 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.51) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.384 X(o=-0.38,f=-0.00075) 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 -112:sc= -0.816 (180deg=-2.2) USER MOD Single : A 363 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.18) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 378 SER OG : rot -156:sc= -1.65! USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 384 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -0.161 9.519 -7.761 1.00 0.00 N ATOM 160 CA LEU A 325 0.010 8.079 -7.865 1.00 0.00 C ATOM 161 C LEU A 325 -1.336 7.366 -7.741 1.00 0.00 C ATOM 162 O LEU A 325 -1.988 7.398 -6.697 1.00 0.00 O ATOM 163 CB LEU A 325 1.006 7.564 -6.811 1.00 0.00 C ATOM 164 CG LEU A 325 0.587 7.698 -5.334 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.431 6.781 -4.465 1.00 0.00 C ATOM 166 CD2 LEU A 325 0.727 9.132 -4.843 1.00 0.00 C ATOM 0 HA LEU A 325 0.423 7.857 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 325 1.201 6.511 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 325 1.948 8.095 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 325 -0.462 7.411 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 325 1.126 6.884 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.291 5.748 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 325 2.482 7.052 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 325 0.423 9.190 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 325 1.766 9.449 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.093 9.785 -5.442 1.00 0.00 H new ATOM 178 N THR A 326 -1.757 6.746 -8.830 1.00 0.00 N ATOM 179 CA THR A 326 -3.041 6.079 -8.876 1.00 0.00 C ATOM 180 C THR A 326 -2.861 4.565 -8.910 1.00 0.00 C ATOM 181 O THR A 326 -2.001 4.047 -9.621 1.00 0.00 O ATOM 182 CB THR A 326 -3.849 6.529 -10.111 1.00 0.00 C ATOM 183 OG1 THR A 326 -3.875 7.963 -10.177 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.276 5.996 -10.054 1.00 0.00 C ATOM 0 H THR A 326 -1.223 6.692 -9.697 1.00 0.00 H new ATOM 0 HA THR A 326 -3.589 6.353 -7.975 1.00 0.00 H new ATOM 0 HB THR A 326 -3.365 6.127 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 326 -4.387 8.245 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 326 -5.824 6.328 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.257 4.906 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 326 -5.769 6.372 -9.158 1.00 0.00 H new ATOM 192 N CYS A 327 -3.672 3.866 -8.132 1.00 0.00 N ATOM 193 CA CYS A 327 -3.661 2.415 -8.131 1.00 0.00 C ATOM 194 C CYS A 327 -4.441 1.902 -9.326 1.00 0.00 C ATOM 195 O CYS A 327 -5.675 1.967 -9.342 1.00 0.00 O ATOM 196 CB CYS A 327 -4.272 1.881 -6.833 1.00 0.00 C ATOM 197 SG CYS A 327 -4.643 0.105 -6.843 1.00 0.00 S ATOM 0 H CYS A 327 -4.348 4.283 -7.492 1.00 0.00 H new ATOM 0 HA CYS A 327 -2.631 2.065 -8.197 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -3.586 2.090 -6.012 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.192 2.429 -6.628 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.278 -0.212 -5.754 1.00 0.00 H new ATOM 202 N TYR A 328 -3.719 1.411 -10.326 1.00 0.00 N ATOM 203 CA TYR A 328 -4.336 0.932 -11.558 1.00 0.00 C ATOM 204 C TYR A 328 -5.321 -0.197 -11.276 1.00 0.00 C ATOM 205 O TYR A 328 -6.338 -0.333 -11.957 1.00 0.00 O ATOM 206 CB TYR A 328 -3.267 0.482 -12.567 1.00 0.00 C ATOM 207 CG TYR A 328 -2.388 -0.667 -12.110 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.307 -0.452 -11.264 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.632 -1.966 -12.543 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.499 -1.497 -10.858 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.828 -3.015 -12.141 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.763 -2.775 -11.300 1.00 0.00 C ATOM 213 OH TYR A 328 0.033 -3.821 -10.893 1.00 0.00 O ATOM 0 H TYR A 328 -2.702 1.334 -10.308 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.891 1.761 -11.997 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.764 0.192 -13.493 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.630 1.335 -12.801 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.095 0.549 -10.918 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.464 -2.158 -13.205 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.335 -1.313 -10.197 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -2.033 -4.018 -12.484 1.00 0.00 H new ATOM 0 HH TYR A 328 0.101 -4.481 -11.615 1.00 0.00 H new ATOM 223 N LEU A 329 -5.030 -0.987 -10.252 1.00 0.00 N ATOM 224 CA LEU A 329 -5.928 -2.046 -9.829 1.00 0.00 C ATOM 225 C LEU A 329 -7.062 -1.470 -8.984 1.00 0.00 C ATOM 226 O LEU A 329 -7.009 -1.541 -7.744 1.00 0.00 O ATOM 227 CB LEU A 329 -5.170 -3.124 -9.048 1.00 0.00 C ATOM 228 CG LEU A 329 -4.104 -3.884 -9.843 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.322 -4.815 -8.931 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.744 -4.672 -10.974 1.00 0.00 C ATOM 0 H LEU A 329 -4.176 -0.912 -9.699 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.355 -2.510 -10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.692 -2.657 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.892 -3.843 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.414 -3.157 -10.272 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.569 -5.347 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.833 -4.233 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -4.003 -5.534 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.972 -5.206 -11.528 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.455 -5.388 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.265 -3.988 -11.644 1.00 0.00 H new ATOM 242 N CYS A 330 -7.997 -0.803 -9.692 1.00 0.00 N ATOM 243 CA CYS A 330 -9.285 -0.281 -9.179 1.00 0.00 C ATOM 244 C CYS A 330 -9.523 1.135 -9.697 1.00 0.00 C ATOM 245 O CYS A 330 -10.665 1.535 -9.907 1.00 0.00 O ATOM 246 CB CYS A 330 -9.411 -0.289 -7.647 1.00 0.00 C ATOM 247 SG CYS A 330 -8.155 0.681 -6.770 1.00 0.00 S ATOM 0 H CYS A 330 -7.870 -0.603 -10.684 1.00 0.00 H new ATOM 0 HA CYS A 330 -10.045 -0.967 -9.553 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -10.396 0.091 -7.376 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.360 -1.321 -7.299 1.00 0.00 H new ATOM 0 HG CYS A 330 -6.986 0.143 -6.952 1.00 0.00 H new ATOM 252 N LYS A 331 -8.431 1.891 -9.877 1.00 0.00 N ATOM 253 CA LYS A 331 -8.483 3.254 -10.404 1.00 0.00 C ATOM 254 C LYS A 331 -9.090 4.171 -9.351 1.00 0.00 C ATOM 255 O LYS A 331 -9.769 5.150 -9.650 1.00 0.00 O ATOM 256 CB LYS A 331 -9.271 3.314 -11.723 1.00 0.00 C ATOM 257 CG LYS A 331 -9.225 4.675 -12.407 1.00 0.00 C ATOM 258 CD LYS A 331 -10.160 4.733 -13.602 1.00 0.00 C ATOM 259 CE LYS A 331 -10.292 6.149 -14.141 1.00 0.00 C ATOM 260 NZ LYS A 331 -10.863 7.078 -13.131 1.00 0.00 N ATOM 0 H LYS A 331 -7.487 1.570 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 331 -7.471 3.590 -10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -8.876 2.561 -12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.311 3.052 -11.526 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -9.499 5.451 -11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -8.206 4.885 -12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -9.787 4.077 -14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -11.143 4.359 -13.314 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -9.312 6.511 -14.454 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -10.927 6.142 -15.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -11.249 7.917 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -11.623 6.598 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -10.117 7.370 -12.467 1.00 0.00 H new ATOM 274 N GLN A 332 -8.810 3.857 -8.098 1.00 0.00 N ATOM 275 CA GLN A 332 -9.376 4.609 -6.996 1.00 0.00 C ATOM 276 C GLN A 332 -8.296 5.389 -6.251 1.00 0.00 C ATOM 277 O GLN A 332 -8.460 5.723 -5.077 1.00 0.00 O ATOM 278 CB GLN A 332 -10.128 3.683 -6.037 1.00 0.00 C ATOM 279 CG GLN A 332 -11.315 2.982 -6.681 1.00 0.00 C ATOM 280 CD GLN A 332 -12.118 2.146 -5.703 1.00 0.00 C ATOM 281 OE1 GLN A 332 -13.324 1.968 -5.864 1.00 0.00 O ATOM 282 NE2 GLN A 332 -11.456 1.624 -4.681 1.00 0.00 N ATOM 0 H GLN A 332 -8.197 3.090 -7.821 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.085 5.326 -7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -9.438 2.933 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -10.478 4.263 -5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -11.968 3.729 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -10.957 2.342 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -10.455 1.794 -4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -11.947 1.052 -3.994 1.00 0.00 H new ATOM 291 N LYS A 333 -7.205 5.684 -6.958 1.00 0.00 N ATOM 292 CA LYS A 333 -6.070 6.423 -6.398 1.00 0.00 C ATOM 293 C LYS A 333 -5.604 5.800 -5.076 1.00 0.00 C ATOM 294 O LYS A 333 -5.218 4.627 -5.042 1.00 0.00 O ATOM 295 CB LYS A 333 -6.427 7.906 -6.218 1.00 0.00 C ATOM 296 CG LYS A 333 -6.784 8.614 -7.517 1.00 0.00 C ATOM 297 CD LYS A 333 -7.234 10.048 -7.268 1.00 0.00 C ATOM 298 CE LYS A 333 -7.630 10.738 -8.561 1.00 0.00 C ATOM 299 NZ LYS A 333 -8.215 12.086 -8.325 1.00 0.00 N ATOM 0 H LYS A 333 -7.082 5.418 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 333 -5.241 6.358 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -7.267 7.987 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -5.584 8.419 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -5.920 8.613 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -7.578 8.066 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -8.079 10.051 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -6.429 10.605 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -6.754 10.832 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -8.352 10.119 -9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -8.470 12.518 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -9.066 11.996 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -7.518 12.687 -7.840 1.00 0.00 H new ATOM 313 N GLY A 334 -5.668 6.565 -3.992 1.00 0.00 N ATOM 314 CA GLY A 334 -5.234 6.073 -2.704 1.00 0.00 C ATOM 315 C GLY A 334 -6.278 6.302 -1.633 1.00 0.00 C ATOM 316 O GLY A 334 -6.546 7.438 -1.257 1.00 0.00 O ATOM 0 H GLY A 334 -6.016 7.524 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -5.016 5.008 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -4.306 6.570 -2.419 1.00 0.00 H new ATOM 320 N VAL A 335 -6.881 5.224 -1.156 1.00 0.00 N ATOM 321 CA VAL A 335 -7.906 5.323 -0.127 1.00 0.00 C ATOM 322 C VAL A 335 -7.336 5.004 1.255 1.00 0.00 C ATOM 323 O VAL A 335 -7.489 5.791 2.189 1.00 0.00 O ATOM 324 CB VAL A 335 -9.119 4.407 -0.430 1.00 0.00 C ATOM 325 CG1 VAL A 335 -9.943 4.976 -1.577 1.00 0.00 C ATOM 326 CG2 VAL A 335 -8.674 2.987 -0.765 1.00 0.00 C ATOM 0 H VAL A 335 -6.679 4.273 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 335 -8.256 6.355 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 335 -9.735 4.368 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -10.791 4.320 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -10.307 5.967 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -9.322 5.048 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -9.549 2.371 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -8.027 3.006 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -8.127 2.568 0.080 1.00 0.00 H new ATOM 336 N GLY A 336 -6.648 3.873 1.371 1.00 0.00 N ATOM 337 CA GLY A 336 -6.125 3.458 2.659 1.00 0.00 C ATOM 338 C GLY A 336 -4.646 3.146 2.612 1.00 0.00 C ATOM 339 O GLY A 336 -3.840 3.847 3.219 1.00 0.00 O ATOM 0 H GLY A 336 -6.444 3.238 0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -6.303 4.246 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.668 2.577 3.001 1.00 0.00 H new ATOM 343 N ALA A 337 -4.284 2.096 1.887 1.00 0.00 N ATOM 344 CA ALA A 337 -2.894 1.672 1.808 1.00 0.00 C ATOM 345 C ALA A 337 -2.456 1.517 0.359 1.00 0.00 C ATOM 346 O ALA A 337 -3.065 0.765 -0.406 1.00 0.00 O ATOM 347 CB ALA A 337 -2.695 0.369 2.567 1.00 0.00 C ATOM 0 H ALA A 337 -4.933 1.524 1.346 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.275 2.442 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.651 0.064 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.964 0.513 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -3.328 -0.405 2.133 1.00 0.00 H new ATOM 353 N SER A 338 -1.405 2.234 -0.011 1.00 0.00 N ATOM 354 CA SER A 338 -0.875 2.177 -1.363 1.00 0.00 C ATOM 355 C SER A 338 0.637 1.989 -1.326 1.00 0.00 C ATOM 356 O SER A 338 1.323 2.564 -0.479 1.00 0.00 O ATOM 357 CB SER A 338 -1.228 3.459 -2.125 1.00 0.00 C ATOM 358 OG SER A 338 -2.620 3.736 -2.045 1.00 0.00 O ATOM 0 H SER A 338 -0.901 2.865 0.611 1.00 0.00 H new ATOM 0 HA SER A 338 -1.323 1.328 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.663 4.296 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 338 -0.934 3.357 -3.170 1.00 0.00 H new ATOM 0 HG SER A 338 -2.819 4.559 -2.538 1.00 0.00 H new ATOM 364 N ILE A 339 1.146 1.169 -2.229 1.00 0.00 N ATOM 365 CA ILE A 339 2.574 0.942 -2.340 1.00 0.00 C ATOM 366 C ILE A 339 3.017 1.233 -3.772 1.00 0.00 C ATOM 367 O ILE A 339 2.218 1.130 -4.707 1.00 0.00 O ATOM 368 CB ILE A 339 2.947 -0.505 -1.923 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.468 -0.701 -1.934 1.00 0.00 C ATOM 370 CG2 ILE A 339 2.266 -1.519 -2.833 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.912 -2.046 -1.401 1.00 0.00 C ATOM 0 H ILE A 339 0.585 0.646 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 339 3.096 1.615 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 339 2.592 -0.667 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.833 -0.586 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.931 0.086 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.541 -2.527 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 339 1.185 -1.400 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.585 -1.356 -3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.999 -2.112 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.578 -2.157 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.479 -2.840 -2.010 1.00 0.00 H new ATOM 383 N GLN A 340 4.270 1.617 -3.942 1.00 0.00 N ATOM 384 CA GLN A 340 4.764 2.030 -5.237 1.00 0.00 C ATOM 385 C GLN A 340 5.841 1.071 -5.725 1.00 0.00 C ATOM 386 O GLN A 340 6.786 0.755 -5.002 1.00 0.00 O ATOM 387 CB GLN A 340 5.309 3.457 -5.151 1.00 0.00 C ATOM 388 CG GLN A 340 5.456 4.143 -6.500 1.00 0.00 C ATOM 389 CD GLN A 340 5.895 5.558 -6.391 1.00 0.00 C ATOM 390 OE1 GLN A 340 6.540 5.967 -5.424 1.00 0.00 O ATOM 391 NE2 GLN A 340 5.605 6.302 -7.420 1.00 0.00 N ATOM 0 H GLN A 340 4.963 1.650 -3.195 1.00 0.00 H new ATOM 0 HA GLN A 340 3.943 2.010 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.646 4.051 -4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 340 6.281 3.435 -4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 340 6.176 3.591 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 340 4.502 4.105 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 340 5.068 5.913 -8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 340 5.915 7.273 -7.451 1.00 0.00 H new ATOM 400 N CYS A 341 5.665 0.594 -6.944 1.00 0.00 N ATOM 401 CA CYS A 341 6.624 -0.294 -7.579 1.00 0.00 C ATOM 402 C CYS A 341 7.916 0.454 -7.855 1.00 0.00 C ATOM 403 O CYS A 341 7.923 1.682 -7.939 1.00 0.00 O ATOM 404 CB CYS A 341 6.046 -0.879 -8.877 1.00 0.00 C ATOM 405 SG CYS A 341 6.744 -0.217 -10.418 1.00 0.00 S ATOM 0 H CYS A 341 4.853 0.811 -7.522 1.00 0.00 H new ATOM 0 HA CYS A 341 6.836 -1.123 -6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 341 6.196 -1.959 -8.866 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.970 -0.707 -8.884 1.00 0.00 H new ATOM 0 HG CYS A 341 5.781 0.192 -11.190 1.00 0.00 H new ATOM 410 N HIS A 342 8.996 -0.284 -8.012 1.00 0.00 N ATOM 411 CA HIS A 342 10.312 0.324 -8.126 1.00 0.00 C ATOM 412 C HIS A 342 10.680 0.565 -9.590 1.00 0.00 C ATOM 413 O HIS A 342 9.800 0.605 -10.457 1.00 0.00 O ATOM 414 CB HIS A 342 11.351 -0.563 -7.434 1.00 0.00 C ATOM 415 CG HIS A 342 12.406 0.215 -6.703 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.113 1.134 -5.717 1.00 0.00 N ATOM 417 CD2 HIS A 342 13.756 0.209 -6.814 1.00 0.00 C ATOM 418 CE1 HIS A 342 13.235 1.658 -5.259 1.00 0.00 C ATOM 419 NE2 HIS A 342 14.247 1.113 -5.906 1.00 0.00 N ATOM 0 H HIS A 342 8.992 -1.303 -8.064 1.00 0.00 H new ATOM 0 HA HIS A 342 10.296 1.295 -7.632 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.844 -1.223 -6.730 1.00 0.00 H new ATOM 0 HB3 HIS A 342 11.829 -1.199 -8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 342 14.339 -0.396 -7.493 1.00 0.00 H new ATOM 0 HE1 HIS A 342 13.311 2.407 -4.485 1.00 0.00 H new ATOM 0 HE2 HIS A 342 15.233 1.328 -5.756 1.00 0.00 H new ATOM 428 N LYS A 343 11.985 0.720 -9.843 1.00 0.00 N ATOM 429 CA LYS A 343 12.528 1.082 -11.157 1.00 0.00 C ATOM 430 C LYS A 343 12.326 2.574 -11.409 1.00 0.00 C ATOM 431 O LYS A 343 11.198 3.072 -11.393 1.00 0.00 O ATOM 432 CB LYS A 343 11.920 0.248 -12.299 1.00 0.00 C ATOM 433 CG LYS A 343 12.090 -1.260 -12.134 1.00 0.00 C ATOM 434 CD LYS A 343 13.555 -1.671 -12.046 1.00 0.00 C ATOM 435 CE LYS A 343 14.290 -1.420 -13.354 1.00 0.00 C ATOM 436 NZ LYS A 343 15.722 -1.808 -13.272 1.00 0.00 N ATOM 0 H LYS A 343 12.704 0.596 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 343 13.595 0.858 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 343 10.857 0.476 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.378 0.553 -13.240 1.00 0.00 H new ATOM 0 HG2 LYS A 343 11.569 -1.586 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 343 11.622 -1.770 -12.976 1.00 0.00 H new ATOM 0 HD2 LYS A 343 14.041 -1.116 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 343 13.621 -2.728 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 343 13.808 -1.981 -14.154 1.00 0.00 H new ATOM 0 HE3 LYS A 343 14.215 -0.364 -13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.185 -1.621 -14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 16.190 -1.254 -12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 15.795 -2.821 -13.048 1.00 0.00 H new ATOM 450 N ALA A 344 13.435 3.272 -11.641 1.00 0.00 N ATOM 451 CA ALA A 344 13.444 4.729 -11.737 1.00 0.00 C ATOM 452 C ALA A 344 12.504 5.247 -12.817 1.00 0.00 C ATOM 453 O ALA A 344 11.936 6.331 -12.689 1.00 0.00 O ATOM 454 CB ALA A 344 14.861 5.222 -11.987 1.00 0.00 C ATOM 0 H ALA A 344 14.352 2.844 -11.768 1.00 0.00 H new ATOM 0 HA ALA A 344 13.082 5.121 -10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 344 14.861 6.310 -12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 344 15.505 4.912 -11.164 1.00 0.00 H new ATOM 0 HB3 ALA A 344 15.235 4.798 -12.919 1.00 0.00 H new ATOM 460 N ASN A 345 12.334 4.475 -13.876 1.00 0.00 N ATOM 461 CA ASN A 345 11.471 4.883 -14.971 1.00 0.00 C ATOM 462 C ASN A 345 10.216 4.027 -15.015 1.00 0.00 C ATOM 463 O ASN A 345 10.004 3.265 -15.959 1.00 0.00 O ATOM 464 CB ASN A 345 12.217 4.811 -16.307 1.00 0.00 C ATOM 465 CG ASN A 345 13.403 5.754 -16.358 1.00 0.00 C ATOM 466 OD1 ASN A 345 13.266 6.917 -16.737 1.00 0.00 O ATOM 467 ND2 ASN A 345 14.573 5.258 -15.985 1.00 0.00 N ATOM 0 H ASN A 345 12.780 3.566 -14.001 1.00 0.00 H new ATOM 0 HA ASN A 345 11.175 5.918 -14.800 1.00 0.00 H new ATOM 0 HB2 ASN A 345 12.561 3.790 -16.474 1.00 0.00 H new ATOM 0 HB3 ASN A 345 11.529 5.052 -17.118 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.406 5.846 -16.005 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.641 4.288 -15.678 1.00 0.00 H new ATOM 474 N CYS A 346 9.405 4.134 -13.971 1.00 0.00 N ATOM 475 CA CYS A 346 8.122 3.446 -13.909 1.00 0.00 C ATOM 476 C CYS A 346 7.341 3.906 -12.687 1.00 0.00 C ATOM 477 O CYS A 346 6.391 4.676 -12.812 1.00 0.00 O ATOM 478 CB CYS A 346 8.310 1.925 -13.868 1.00 0.00 C ATOM 479 SG CYS A 346 6.760 0.978 -13.777 1.00 0.00 S ATOM 0 H CYS A 346 9.616 4.697 -13.147 1.00 0.00 H new ATOM 0 HA CYS A 346 7.561 3.695 -14.810 1.00 0.00 H new ATOM 0 HB2 CYS A 346 8.859 1.615 -14.757 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.928 1.671 -13.007 1.00 0.00 H new ATOM 0 HG CYS A 346 6.064 1.383 -12.757 1.00 0.00 H new ATOM 484 N TYR A 347 7.772 3.438 -11.512 1.00 0.00 N ATOM 485 CA TYR A 347 7.125 3.750 -10.234 1.00 0.00 C ATOM 486 C TYR A 347 5.606 3.618 -10.311 1.00 0.00 C ATOM 487 O TYR A 347 4.877 4.604 -10.418 1.00 0.00 O ATOM 488 CB TYR A 347 7.538 5.136 -9.741 1.00 0.00 C ATOM 489 CG TYR A 347 8.993 5.198 -9.339 1.00 0.00 C ATOM 490 CD1 TYR A 347 9.529 4.231 -8.500 1.00 0.00 C ATOM 491 CD2 TYR A 347 9.828 6.211 -9.795 1.00 0.00 C ATOM 492 CE1 TYR A 347 10.858 4.267 -8.125 1.00 0.00 C ATOM 493 CE2 TYR A 347 11.160 6.255 -9.424 1.00 0.00 C ATOM 494 CZ TYR A 347 11.670 5.280 -8.589 1.00 0.00 C ATOM 495 OH TYR A 347 12.997 5.316 -8.222 1.00 0.00 O ATOM 0 H TYR A 347 8.585 2.828 -11.420 1.00 0.00 H new ATOM 0 HA TYR A 347 7.468 3.013 -9.508 1.00 0.00 H new ATOM 0 HB2 TYR A 347 7.350 5.868 -10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 347 6.917 5.415 -8.890 1.00 0.00 H new ATOM 0 HD1 TYR A 347 8.896 3.436 -8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 347 9.432 6.974 -10.448 1.00 0.00 H new ATOM 0 HE1 TYR A 347 11.259 3.506 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 347 11.798 7.048 -9.785 1.00 0.00 H new ATOM 0 HH TYR A 347 13.430 6.092 -8.635 1.00 0.00 H new ATOM 505 N THR A 348 5.144 2.384 -10.242 1.00 0.00 N ATOM 506 CA THR A 348 3.730 2.077 -10.421 1.00 0.00 C ATOM 507 C THR A 348 3.037 1.961 -9.067 1.00 0.00 C ATOM 508 O THR A 348 3.497 1.229 -8.202 1.00 0.00 O ATOM 509 CB THR A 348 3.552 0.749 -11.184 1.00 0.00 C ATOM 510 OG1 THR A 348 4.554 0.628 -12.217 1.00 0.00 O ATOM 511 CG2 THR A 348 2.167 0.672 -11.808 1.00 0.00 C ATOM 0 H THR A 348 5.730 1.569 -10.062 1.00 0.00 H new ATOM 0 HA THR A 348 3.283 2.888 -10.996 1.00 0.00 H new ATOM 0 HB THR A 348 3.666 -0.070 -10.474 1.00 0.00 H new ATOM 0 HG1 THR A 348 4.590 -0.300 -12.531 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.061 -0.272 -12.342 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.411 0.733 -11.025 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.035 1.500 -12.505 1.00 0.00 H new ATOM 519 N ALA A 349 1.929 2.657 -8.887 1.00 0.00 N ATOM 520 CA ALA A 349 1.248 2.656 -7.602 1.00 0.00 C ATOM 521 C ALA A 349 0.057 1.712 -7.602 1.00 0.00 C ATOM 522 O ALA A 349 -0.683 1.621 -8.582 1.00 0.00 O ATOM 523 CB ALA A 349 0.811 4.063 -7.241 1.00 0.00 C ATOM 0 H ALA A 349 1.483 3.226 -9.607 1.00 0.00 H new ATOM 0 HA ALA A 349 1.951 2.298 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 349 0.302 4.050 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.685 4.711 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 349 0.131 4.440 -8.005 1.00 0.00 H new ATOM 529 N PHE A 350 -0.102 0.991 -6.503 1.00 0.00 N ATOM 530 CA PHE A 350 -1.216 0.076 -6.330 1.00 0.00 C ATOM 531 C PHE A 350 -1.457 -0.197 -4.850 1.00 0.00 C ATOM 532 O PHE A 350 -0.587 0.034 -4.014 1.00 0.00 O ATOM 533 CB PHE A 350 -0.981 -1.232 -7.104 1.00 0.00 C ATOM 534 CG PHE A 350 0.375 -1.850 -6.895 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.478 -1.388 -7.597 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.544 -2.898 -6.008 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.721 -1.957 -7.415 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.787 -3.471 -5.824 1.00 0.00 C ATOM 539 CZ PHE A 350 2.875 -3.000 -6.528 1.00 0.00 C ATOM 0 H PHE A 350 0.537 1.024 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.111 0.545 -6.739 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.743 -1.954 -6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.117 -1.038 -8.168 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.362 -0.572 -8.295 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.304 -3.272 -5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.572 -1.586 -7.967 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.907 -4.288 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.847 -3.448 -6.384 1.00 0.00 H new ATOM 549 N HIS A 351 -2.655 -0.660 -4.528 1.00 0.00 N ATOM 550 CA HIS A 351 -3.021 -0.918 -3.141 1.00 0.00 C ATOM 551 C HIS A 351 -2.442 -2.245 -2.678 1.00 0.00 C ATOM 552 O HIS A 351 -2.316 -3.179 -3.469 1.00 0.00 O ATOM 553 CB HIS A 351 -4.544 -0.925 -2.961 1.00 0.00 C ATOM 554 CG HIS A 351 -5.196 0.395 -3.237 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.164 0.572 -4.211 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.015 1.608 -2.663 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.543 1.843 -4.213 1.00 0.00 C ATOM 558 NE2 HIS A 351 -5.862 2.494 -3.291 1.00 0.00 N ATOM 0 H HIS A 351 -3.390 -0.865 -5.205 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.607 -0.114 -2.533 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.974 -1.677 -3.623 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.778 -1.228 -1.940 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.331 1.839 -1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.289 2.275 -4.864 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -5.948 3.488 -3.078 1.00 0.00 H new ATOM 566 N VAL A 352 -2.102 -2.322 -1.397 1.00 0.00 N ATOM 567 CA VAL A 352 -1.531 -3.539 -0.828 1.00 0.00 C ATOM 568 C VAL A 352 -2.492 -4.716 -0.992 1.00 0.00 C ATOM 569 O VAL A 352 -2.076 -5.835 -1.294 1.00 0.00 O ATOM 570 CB VAL A 352 -1.187 -3.352 0.666 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.539 -4.604 1.237 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.282 -2.145 0.856 1.00 0.00 C ATOM 0 H VAL A 352 -2.211 -1.557 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.610 -3.752 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.116 -3.177 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.307 -4.446 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.225 -5.446 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.380 -4.819 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.049 -2.028 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.641 -2.291 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.788 -1.250 0.494 1.00 0.00 H new ATOM 582 N THR A 353 -3.781 -4.455 -0.808 1.00 0.00 N ATOM 583 CA THR A 353 -4.798 -5.476 -1.004 1.00 0.00 C ATOM 584 C THR A 353 -4.860 -5.905 -2.475 1.00 0.00 C ATOM 585 O THR A 353 -4.960 -7.094 -2.772 1.00 0.00 O ATOM 586 CB THR A 353 -6.192 -4.999 -0.516 1.00 0.00 C ATOM 587 OG1 THR A 353 -7.180 -6.015 -0.744 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.616 -3.711 -1.208 1.00 0.00 C ATOM 0 H THR A 353 -4.144 -3.545 -0.524 1.00 0.00 H new ATOM 0 HA THR A 353 -4.515 -6.339 -0.401 1.00 0.00 H new ATOM 0 HB THR A 353 -6.113 -4.804 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 353 -8.053 -5.699 -0.429 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.597 -3.407 -0.842 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.890 -2.927 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.666 -3.876 -2.284 1.00 0.00 H new ATOM 596 N CYS A 354 -4.750 -4.936 -3.390 1.00 0.00 N ATOM 597 CA CYS A 354 -4.764 -5.217 -4.825 1.00 0.00 C ATOM 598 C CYS A 354 -3.585 -6.105 -5.206 1.00 0.00 C ATOM 599 O CYS A 354 -3.711 -7.002 -6.036 1.00 0.00 O ATOM 600 CB CYS A 354 -4.705 -3.918 -5.635 1.00 0.00 C ATOM 601 SG CYS A 354 -6.101 -2.791 -5.377 1.00 0.00 S ATOM 0 H CYS A 354 -4.650 -3.948 -3.159 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.695 -5.735 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.783 -3.393 -5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.652 -4.170 -6.694 1.00 0.00 H new ATOM 0 HG CYS A 354 -6.155 -1.936 -6.355 1.00 0.00 H new ATOM 606 N ALA A 355 -2.441 -5.851 -4.584 1.00 0.00 N ATOM 607 CA ALA A 355 -1.247 -6.644 -4.825 1.00 0.00 C ATOM 608 C ALA A 355 -1.479 -8.096 -4.432 1.00 0.00 C ATOM 609 O ALA A 355 -1.048 -9.017 -5.124 1.00 0.00 O ATOM 610 CB ALA A 355 -0.074 -6.074 -4.053 1.00 0.00 C ATOM 0 H ALA A 355 -2.317 -5.099 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 355 -1.019 -6.607 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 355 0.814 -6.677 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.109 -5.048 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.300 -6.086 -2.987 1.00 0.00 H new ATOM 616 N GLN A 356 -2.166 -8.284 -3.313 1.00 0.00 N ATOM 617 CA GLN A 356 -2.496 -9.616 -2.822 1.00 0.00 C ATOM 618 C GLN A 356 -3.564 -10.275 -3.690 1.00 0.00 C ATOM 619 O GLN A 356 -3.682 -11.500 -3.726 1.00 0.00 O ATOM 620 CB GLN A 356 -2.957 -9.534 -1.366 1.00 0.00 C ATOM 621 CG GLN A 356 -1.866 -9.041 -0.431 1.00 0.00 C ATOM 622 CD GLN A 356 -2.395 -8.721 0.953 1.00 0.00 C ATOM 623 OE1 GLN A 356 -2.442 -9.583 1.829 1.00 0.00 O ATOM 624 NE2 GLN A 356 -2.791 -7.475 1.160 1.00 0.00 N ATOM 0 H GLN A 356 -2.508 -7.525 -2.724 1.00 0.00 H new ATOM 0 HA GLN A 356 -1.600 -10.235 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.816 -8.867 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -3.292 -10.519 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -1.087 -9.800 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.402 -8.150 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -2.735 -6.790 0.406 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -3.152 -7.200 2.073 1.00 0.00 H new ATOM 633 N LYS A 357 -4.351 -9.454 -4.373 1.00 0.00 N ATOM 634 CA LYS A 357 -5.351 -9.957 -5.307 1.00 0.00 C ATOM 635 C LYS A 357 -4.671 -10.560 -6.535 1.00 0.00 C ATOM 636 O LYS A 357 -5.044 -11.637 -6.997 1.00 0.00 O ATOM 637 CB LYS A 357 -6.303 -8.840 -5.755 1.00 0.00 C ATOM 638 CG LYS A 357 -7.105 -8.187 -4.637 1.00 0.00 C ATOM 639 CD LYS A 357 -7.970 -9.191 -3.888 1.00 0.00 C ATOM 640 CE LYS A 357 -7.328 -9.617 -2.573 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.139 -10.640 -1.864 1.00 0.00 N ATOM 0 H LYS A 357 -4.317 -8.437 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.929 -10.724 -4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.721 -8.070 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -6.998 -9.249 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -6.423 -7.704 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.739 -7.405 -5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.948 -8.753 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -8.134 -10.068 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -6.332 -10.015 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -7.203 -8.745 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -7.667 -10.902 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.081 -10.252 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -8.237 -11.483 -2.465 1.00 0.00 H new ATOM 655 N ALA A 358 -3.672 -9.852 -7.053 1.00 0.00 N ATOM 656 CA ALA A 358 -2.970 -10.277 -8.260 1.00 0.00 C ATOM 657 C ALA A 358 -1.887 -11.310 -7.949 1.00 0.00 C ATOM 658 O ALA A 358 -1.695 -12.264 -8.703 1.00 0.00 O ATOM 659 CB ALA A 358 -2.365 -9.072 -8.968 1.00 0.00 C ATOM 0 H ALA A 358 -3.329 -8.978 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.698 -10.751 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.844 -9.402 -9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.157 -8.376 -9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.660 -8.575 -8.302 1.00 0.00 H new ATOM 665 N GLY A 359 -1.185 -11.118 -6.842 1.00 0.00 N ATOM 666 CA GLY A 359 -0.103 -12.017 -6.483 1.00 0.00 C ATOM 667 C GLY A 359 1.193 -11.631 -7.164 1.00 0.00 C ATOM 668 O GLY A 359 1.825 -12.451 -7.830 1.00 0.00 O ATOM 0 H GLY A 359 -1.344 -10.355 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.036 -12.006 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.370 -13.037 -6.760 1.00 0.00 H new ATOM 672 N LEU A 360 1.587 -10.377 -7.000 1.00 0.00 N ATOM 673 CA LEU A 360 2.774 -9.858 -7.670 1.00 0.00 C ATOM 674 C LEU A 360 4.020 -9.990 -6.794 1.00 0.00 C ATOM 675 O LEU A 360 3.963 -10.556 -5.701 1.00 0.00 O ATOM 676 CB LEU A 360 2.543 -8.405 -8.101 1.00 0.00 C ATOM 677 CG LEU A 360 1.971 -7.469 -7.029 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.053 -6.992 -6.072 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.280 -6.287 -7.684 1.00 0.00 C ATOM 0 H LEU A 360 1.104 -9.699 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 360 2.952 -10.458 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.492 -7.994 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.866 -8.403 -8.955 1.00 0.00 H new ATOM 0 HG LEU A 360 1.240 -8.029 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.613 -6.331 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.504 -7.851 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.819 -6.452 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.877 -5.629 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 360 1.998 -5.737 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.468 -6.645 -8.316 1.00 0.00 H new ATOM 691 N TYR A 361 5.137 -9.460 -7.275 1.00 0.00 N ATOM 692 CA TYR A 361 6.413 -9.608 -6.588 1.00 0.00 C ATOM 693 C TYR A 361 6.656 -8.449 -5.628 1.00 0.00 C ATOM 694 O TYR A 361 6.564 -7.277 -6.006 1.00 0.00 O ATOM 695 CB TYR A 361 7.554 -9.690 -7.610 1.00 0.00 C ATOM 696 CG TYR A 361 8.906 -10.003 -7.000 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.681 -9.002 -6.427 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.408 -11.298 -7.003 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.914 -9.281 -5.872 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.641 -11.586 -6.452 1.00 0.00 C ATOM 701 CZ TYR A 361 11.391 -10.575 -5.889 1.00 0.00 C ATOM 702 OH TYR A 361 12.621 -10.856 -5.340 1.00 0.00 O ATOM 0 H TYR A 361 5.185 -8.922 -8.141 1.00 0.00 H new ATOM 0 HA TYR A 361 6.382 -10.530 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.313 -10.456 -8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.618 -8.742 -8.144 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.312 -7.987 -6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 361 8.824 -12.093 -7.444 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.501 -8.491 -5.427 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.016 -12.599 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 361 12.809 -11.813 -5.432 1.00 0.00 H new ATOM 712 N MET A 362 6.976 -8.785 -4.387 1.00 0.00 N ATOM 713 CA MET A 362 7.317 -7.785 -3.386 1.00 0.00 C ATOM 714 C MET A 362 8.644 -8.113 -2.718 1.00 0.00 C ATOM 715 O MET A 362 9.072 -9.266 -2.686 1.00 0.00 O ATOM 716 CB MET A 362 6.224 -7.670 -2.322 1.00 0.00 C ATOM 717 CG MET A 362 5.053 -6.798 -2.738 1.00 0.00 C ATOM 718 SD MET A 362 3.867 -6.548 -1.403 1.00 0.00 S ATOM 719 CE MET A 362 2.763 -5.360 -2.155 1.00 0.00 C ATOM 0 H MET A 362 7.007 -9.747 -4.048 1.00 0.00 H new ATOM 0 HA MET A 362 7.405 -6.829 -3.902 1.00 0.00 H new ATOM 0 HB2 MET A 362 5.855 -8.668 -2.084 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.660 -7.265 -1.409 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.426 -5.830 -3.073 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.547 -7.256 -3.588 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.860 -4.401 -1.646 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.020 -5.240 -3.208 1.00 0.00 H new ATOM 0 HE3 MET A 362 1.735 -5.714 -2.070 1.00 0.00 H new ATOM 729 N LYS A 363 9.290 -7.081 -2.202 1.00 0.00 N ATOM 730 CA LYS A 363 10.532 -7.219 -1.467 1.00 0.00 C ATOM 731 C LYS A 363 10.410 -6.478 -0.144 1.00 0.00 C ATOM 732 O LYS A 363 10.108 -5.288 -0.117 1.00 0.00 O ATOM 733 CB LYS A 363 11.693 -6.647 -2.285 1.00 0.00 C ATOM 734 CG LYS A 363 12.715 -7.686 -2.724 1.00 0.00 C ATOM 735 CD LYS A 363 13.519 -8.215 -1.546 1.00 0.00 C ATOM 736 CE LYS A 363 14.610 -9.172 -2.003 1.00 0.00 C ATOM 737 NZ LYS A 363 15.455 -9.643 -0.874 1.00 0.00 N ATOM 0 H LYS A 363 8.964 -6.118 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 363 10.729 -8.274 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.291 -6.152 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 363 12.198 -5.883 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 363 12.205 -8.513 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.390 -7.245 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.967 -7.381 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 363 12.854 -8.725 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 363 14.154 -10.031 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.239 -8.676 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.070 -10.416 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 16.041 -8.857 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 14.846 -9.987 -0.104 1.00 0.00 H new ATOM 751 N MET A 364 10.617 -7.180 0.952 1.00 0.00 N ATOM 752 CA MET A 364 10.519 -6.571 2.265 1.00 0.00 C ATOM 753 C MET A 364 11.718 -6.996 3.081 1.00 0.00 C ATOM 754 O MET A 364 11.813 -8.143 3.519 1.00 0.00 O ATOM 755 CB MET A 364 9.220 -6.978 2.969 1.00 0.00 C ATOM 756 CG MET A 364 7.969 -6.693 2.155 1.00 0.00 C ATOM 757 SD MET A 364 6.451 -7.037 3.064 1.00 0.00 S ATOM 758 CE MET A 364 5.248 -6.894 1.748 1.00 0.00 C ATOM 0 H MET A 364 10.854 -8.172 0.961 1.00 0.00 H new ATOM 0 HA MET A 364 10.504 -5.486 2.159 1.00 0.00 H new ATOM 0 HB2 MET A 364 9.259 -8.043 3.197 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.152 -6.450 3.920 1.00 0.00 H new ATOM 0 HG2 MET A 364 7.973 -5.648 1.845 1.00 0.00 H new ATOM 0 HG3 MET A 364 7.987 -7.295 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 364 4.249 -6.813 2.176 1.00 0.00 H new ATOM 0 HE2 MET A 364 5.462 -6.005 1.154 1.00 0.00 H new ATOM 0 HE3 MET A 364 5.299 -7.777 1.111 1.00 0.00 H new ATOM 768 N GLU A 365 12.631 -6.071 3.264 1.00 0.00 N ATOM 769 CA GLU A 365 13.903 -6.387 3.872 1.00 0.00 C ATOM 770 C GLU A 365 14.093 -5.605 5.164 1.00 0.00 C ATOM 771 O GLU A 365 14.015 -4.380 5.171 1.00 0.00 O ATOM 772 CB GLU A 365 15.016 -6.046 2.882 1.00 0.00 C ATOM 773 CG GLU A 365 14.968 -6.858 1.599 1.00 0.00 C ATOM 774 CD GLU A 365 16.136 -6.567 0.678 1.00 0.00 C ATOM 775 OE1 GLU A 365 16.466 -5.381 0.477 1.00 0.00 O ATOM 776 OE2 GLU A 365 16.722 -7.530 0.141 1.00 0.00 O ATOM 0 H GLU A 365 12.517 -5.092 3.000 1.00 0.00 H new ATOM 0 HA GLU A 365 13.933 -7.449 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.955 -4.987 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.980 -6.205 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 365 14.961 -7.920 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.036 -6.647 1.075 1.00 0.00 H new ATOM 783 N PRO A 366 14.320 -6.301 6.280 1.00 0.00 N ATOM 784 CA PRO A 366 14.665 -5.668 7.535 1.00 0.00 C ATOM 785 C PRO A 366 16.179 -5.563 7.704 1.00 0.00 C ATOM 786 O PRO A 366 16.846 -6.536 8.070 1.00 0.00 O ATOM 787 CB PRO A 366 14.059 -6.615 8.574 1.00 0.00 C ATOM 788 CG PRO A 366 13.997 -7.962 7.910 1.00 0.00 C ATOM 789 CD PRO A 366 14.224 -7.760 6.427 1.00 0.00 C ATOM 0 HA PRO A 366 14.295 -4.646 7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 366 14.671 -6.651 9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 366 13.066 -6.281 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 366 14.754 -8.627 8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 366 13.029 -8.431 8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 366 15.134 -8.256 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 366 13.403 -8.168 5.838 1.00 0.00 H new ATOM 797 N VAL A 367 16.721 -4.395 7.404 1.00 0.00 N ATOM 798 CA VAL A 367 18.158 -4.184 7.480 1.00 0.00 C ATOM 799 C VAL A 367 18.546 -3.571 8.816 1.00 0.00 C ATOM 800 O VAL A 367 17.797 -2.782 9.395 1.00 0.00 O ATOM 801 CB VAL A 367 18.682 -3.299 6.324 1.00 0.00 C ATOM 802 CG1 VAL A 367 18.729 -4.093 5.028 1.00 0.00 C ATOM 803 CG2 VAL A 367 17.823 -2.055 6.144 1.00 0.00 C ATOM 0 H VAL A 367 16.188 -3.578 7.105 1.00 0.00 H new ATOM 0 HA VAL A 367 18.624 -5.165 7.386 1.00 0.00 H new ATOM 0 HB VAL A 367 19.691 -2.978 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 367 19.100 -3.456 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 367 19.394 -4.948 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 367 17.727 -4.444 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 367 18.218 -1.455 5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 367 16.799 -2.350 5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 367 17.836 -1.468 7.062 1.00 0.00 H new ATOM 813 N LYS A 368 19.706 -3.955 9.317 1.00 0.00 N ATOM 814 CA LYS A 368 20.187 -3.438 10.580 1.00 0.00 C ATOM 815 C LYS A 368 20.993 -2.169 10.369 1.00 0.00 C ATOM 816 O LYS A 368 22.153 -2.210 9.956 1.00 0.00 O ATOM 817 CB LYS A 368 21.029 -4.485 11.309 1.00 0.00 C ATOM 818 CG LYS A 368 20.216 -5.624 11.907 1.00 0.00 C ATOM 819 CD LYS A 368 19.320 -5.153 13.048 1.00 0.00 C ATOM 820 CE LYS A 368 20.135 -4.579 14.196 1.00 0.00 C ATOM 821 NZ LYS A 368 19.295 -4.271 15.385 1.00 0.00 N ATOM 0 H LYS A 368 20.331 -4.624 8.866 1.00 0.00 H new ATOM 0 HA LYS A 368 19.321 -3.200 11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 368 21.758 -4.899 10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 368 21.590 -3.995 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 368 19.603 -6.078 11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 368 20.891 -6.398 12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 368 18.627 -4.397 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 368 18.719 -5.988 13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 368 20.913 -5.289 14.477 1.00 0.00 H new ATOM 0 HE3 LYS A 368 20.638 -3.671 13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 19.826 -3.659 16.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 18.428 -3.783 15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 19.042 -5.156 15.870 1.00 0.00 H new ATOM 835 N GLU A 369 20.358 -1.048 10.639 1.00 0.00 N ATOM 836 CA GLU A 369 21.016 0.237 10.577 1.00 0.00 C ATOM 837 C GLU A 369 21.752 0.479 11.892 1.00 0.00 C ATOM 838 O GLU A 369 21.676 -0.337 12.809 1.00 0.00 O ATOM 839 CB GLU A 369 20.007 1.347 10.294 1.00 0.00 C ATOM 840 CG GLU A 369 20.580 2.502 9.489 1.00 0.00 C ATOM 841 CD GLU A 369 20.362 3.837 10.157 1.00 0.00 C ATOM 842 OE1 GLU A 369 21.206 4.224 10.992 1.00 0.00 O ATOM 843 OE2 GLU A 369 19.359 4.514 9.847 1.00 0.00 O ATOM 0 H GLU A 369 19.375 -1.003 10.907 1.00 0.00 H new ATOM 0 HA GLU A 369 21.737 0.241 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 369 19.158 0.926 9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 369 19.626 1.729 11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 369 21.648 2.343 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 369 20.121 2.515 8.501 1.00 0.00 H new ATOM 850 N LEU A 370 22.444 1.595 11.989 1.00 0.00 N ATOM 851 CA LEU A 370 23.408 1.809 13.051 1.00 0.00 C ATOM 852 C LEU A 370 23.037 2.975 13.966 1.00 0.00 C ATOM 853 O LEU A 370 23.445 3.010 15.123 1.00 0.00 O ATOM 854 CB LEU A 370 24.800 2.021 12.447 1.00 0.00 C ATOM 855 CG LEU A 370 24.839 2.547 11.001 1.00 0.00 C ATOM 856 CD1 LEU A 370 24.464 4.021 10.937 1.00 0.00 C ATOM 857 CD2 LEU A 370 26.213 2.317 10.387 1.00 0.00 C ATOM 0 H LEU A 370 22.356 2.376 11.339 1.00 0.00 H new ATOM 0 HA LEU A 370 23.407 0.916 13.676 1.00 0.00 H new ATOM 0 HB2 LEU A 370 25.346 2.720 13.081 1.00 0.00 H new ATOM 0 HB3 LEU A 370 25.337 1.073 12.482 1.00 0.00 H new ATOM 0 HG LEU A 370 24.101 1.991 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 370 24.501 4.361 9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 370 23.456 4.157 11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 370 25.166 4.601 11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 370 26.223 2.695 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 370 26.967 2.841 10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 370 26.435 1.250 10.381 1.00 0.00 H new ATOM 869 N THR A 371 22.267 3.925 13.468 1.00 0.00 N ATOM 870 CA THR A 371 21.898 5.076 14.272 1.00 0.00 C ATOM 871 C THR A 371 20.585 4.825 15.004 1.00 0.00 C ATOM 872 O THR A 371 19.539 4.638 14.379 1.00 0.00 O ATOM 873 CB THR A 371 21.776 6.344 13.406 1.00 0.00 C ATOM 874 OG1 THR A 371 22.962 6.509 12.619 1.00 0.00 O ATOM 875 CG2 THR A 371 21.564 7.577 14.274 1.00 0.00 C ATOM 0 H THR A 371 21.888 3.924 12.521 1.00 0.00 H new ATOM 0 HA THR A 371 22.690 5.231 15.005 1.00 0.00 H new ATOM 0 HB THR A 371 20.913 6.230 12.750 1.00 0.00 H new ATOM 0 HG1 THR A 371 22.880 7.316 12.068 1.00 0.00 H new ATOM 0 HG21 THR A 371 21.481 8.459 13.639 1.00 0.00 H new ATOM 0 HG22 THR A 371 20.649 7.460 14.855 1.00 0.00 H new ATOM 0 HG23 THR A 371 22.410 7.695 14.951 1.00 0.00 H new ATOM 883 N GLY A 372 20.646 4.825 16.328 1.00 0.00 N ATOM 884 CA GLY A 372 19.469 4.564 17.133 1.00 0.00 C ATOM 885 C GLY A 372 19.811 3.799 18.394 1.00 0.00 C ATOM 886 O GLY A 372 19.323 2.691 18.612 1.00 0.00 O ATOM 0 H GLY A 372 21.496 5.002 16.863 1.00 0.00 H new ATOM 0 HA2 GLY A 372 18.993 5.508 17.398 1.00 0.00 H new ATOM 0 HA3 GLY A 372 18.746 3.996 16.547 1.00 0.00 H new ATOM 890 N GLY A 373 20.652 4.397 19.227 1.00 0.00 N ATOM 891 CA GLY A 373 21.120 3.726 20.423 1.00 0.00 C ATOM 892 C GLY A 373 22.347 2.886 20.137 1.00 0.00 C ATOM 893 O GLY A 373 23.478 3.361 20.245 1.00 0.00 O ATOM 0 H GLY A 373 21.020 5.339 19.095 1.00 0.00 H new ATOM 0 HA2 GLY A 373 21.353 4.465 21.190 1.00 0.00 H new ATOM 0 HA3 GLY A 373 20.327 3.092 20.821 1.00 0.00 H new ATOM 897 N GLY A 374 22.123 1.635 19.776 1.00 0.00 N ATOM 898 CA GLY A 374 23.205 0.783 19.334 1.00 0.00 C ATOM 899 C GLY A 374 23.117 0.558 17.847 1.00 0.00 C ATOM 900 O GLY A 374 23.994 0.969 17.091 1.00 0.00 O ATOM 0 H GLY A 374 21.205 1.191 19.781 1.00 0.00 H new ATOM 0 HA2 GLY A 374 24.163 1.240 19.584 1.00 0.00 H new ATOM 0 HA3 GLY A 374 23.162 -0.172 19.857 1.00 0.00 H new ATOM 904 N THR A 375 22.041 -0.097 17.447 1.00 0.00 N ATOM 905 CA THR A 375 21.671 -0.249 16.051 1.00 0.00 C ATOM 906 C THR A 375 20.151 -0.183 15.961 1.00 0.00 C ATOM 907 O THR A 375 19.477 -0.340 16.980 1.00 0.00 O ATOM 908 CB THR A 375 22.159 -1.594 15.462 1.00 0.00 C ATOM 909 OG1 THR A 375 21.717 -2.681 16.284 1.00 0.00 O ATOM 910 CG2 THR A 375 23.676 -1.633 15.336 1.00 0.00 C ATOM 0 H THR A 375 21.390 -0.545 18.093 1.00 0.00 H new ATOM 0 HA THR A 375 22.143 0.547 15.475 1.00 0.00 H new ATOM 0 HB THR A 375 21.733 -1.691 14.464 1.00 0.00 H new ATOM 0 HG1 THR A 375 22.029 -3.528 15.902 1.00 0.00 H new ATOM 0 HG21 THR A 375 23.982 -2.592 14.919 1.00 0.00 H new ATOM 0 HG22 THR A 375 24.007 -0.829 14.678 1.00 0.00 H new ATOM 0 HG23 THR A 375 24.126 -1.505 16.320 1.00 0.00 H new ATOM 918 N THR A 376 19.593 0.043 14.782 1.00 0.00 N ATOM 919 CA THR A 376 18.196 0.067 14.643 1.00 0.00 C ATOM 920 C THR A 376 17.829 -0.833 13.507 1.00 0.00 C ATOM 921 O THR A 376 18.640 -1.237 12.681 1.00 0.00 O ATOM 922 CB THR A 376 17.627 1.486 14.405 1.00 0.00 C ATOM 923 OG1 THR A 376 16.196 1.446 14.270 1.00 0.00 O ATOM 924 CG2 THR A 376 18.232 2.120 13.163 1.00 0.00 C ATOM 0 H THR A 376 20.113 0.210 13.920 1.00 0.00 H new ATOM 0 HA THR A 376 17.757 -0.276 15.580 1.00 0.00 H new ATOM 0 HB THR A 376 17.890 2.091 15.273 1.00 0.00 H new ATOM 0 HG1 THR A 376 15.856 2.353 14.122 1.00 0.00 H new ATOM 0 HG21 THR A 376 17.813 3.116 13.022 1.00 0.00 H new ATOM 0 HG22 THR A 376 19.313 2.195 13.282 1.00 0.00 H new ATOM 0 HG23 THR A 376 18.005 1.504 12.293 1.00 0.00 H new ATOM 932 N PHE A 377 16.615 -1.156 13.549 1.00 0.00 N ATOM 933 CA PHE A 377 15.959 -1.968 12.577 1.00 0.00 C ATOM 934 C PHE A 377 15.289 -1.083 11.543 1.00 0.00 C ATOM 935 O PHE A 377 14.334 -0.362 11.838 1.00 0.00 O ATOM 936 CB PHE A 377 14.948 -2.879 13.269 1.00 0.00 C ATOM 937 CG PHE A 377 14.093 -2.201 14.311 1.00 0.00 C ATOM 938 CD1 PHE A 377 14.590 -1.946 15.580 1.00 0.00 C ATOM 939 CD2 PHE A 377 12.788 -1.828 14.021 1.00 0.00 C ATOM 940 CE1 PHE A 377 13.807 -1.332 16.536 1.00 0.00 C ATOM 941 CE2 PHE A 377 12.000 -1.214 14.976 1.00 0.00 C ATOM 942 CZ PHE A 377 12.512 -0.965 16.233 1.00 0.00 C ATOM 0 H PHE A 377 15.994 -0.854 14.300 1.00 0.00 H new ATOM 0 HA PHE A 377 16.687 -2.597 12.065 1.00 0.00 H new ATOM 0 HB2 PHE A 377 14.296 -3.315 12.512 1.00 0.00 H new ATOM 0 HB3 PHE A 377 15.485 -3.702 13.740 1.00 0.00 H new ATOM 0 HD1 PHE A 377 15.603 -2.232 15.823 1.00 0.00 H new ATOM 0 HD2 PHE A 377 12.384 -2.020 13.038 1.00 0.00 H new ATOM 0 HE1 PHE A 377 14.207 -1.139 17.520 1.00 0.00 H new ATOM 0 HE2 PHE A 377 10.985 -0.930 14.739 1.00 0.00 H new ATOM 0 HZ PHE A 377 11.899 -0.483 16.980 1.00 0.00 H new ATOM 952 N SER A 378 15.819 -1.107 10.344 1.00 0.00 N ATOM 953 CA SER A 378 15.306 -0.285 9.280 1.00 0.00 C ATOM 954 C SER A 378 14.601 -1.147 8.251 1.00 0.00 C ATOM 955 O SER A 378 15.167 -2.114 7.745 1.00 0.00 O ATOM 956 CB SER A 378 16.447 0.501 8.643 1.00 0.00 C ATOM 957 OG SER A 378 17.075 1.325 9.608 1.00 0.00 O ATOM 0 H SER A 378 16.612 -1.693 10.082 1.00 0.00 H new ATOM 0 HA SER A 378 14.582 0.422 9.684 1.00 0.00 H new ATOM 0 HB2 SER A 378 17.175 -0.186 8.213 1.00 0.00 H new ATOM 0 HB3 SER A 378 16.064 1.113 7.826 1.00 0.00 H new ATOM 0 HG SER A 378 17.518 2.075 9.159 1.00 0.00 H new ATOM 963 N VAL A 379 13.359 -0.817 7.961 1.00 0.00 N ATOM 964 CA VAL A 379 12.602 -1.576 6.995 1.00 0.00 C ATOM 965 C VAL A 379 12.862 -1.030 5.604 1.00 0.00 C ATOM 966 O VAL A 379 12.868 0.182 5.380 1.00 0.00 O ATOM 967 CB VAL A 379 11.088 -1.533 7.264 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.374 -2.642 6.504 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.792 -1.614 8.754 1.00 0.00 C ATOM 0 H VAL A 379 12.858 -0.033 8.379 1.00 0.00 H new ATOM 0 HA VAL A 379 12.929 -2.613 7.078 1.00 0.00 H new ATOM 0 HB VAL A 379 10.709 -0.577 6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.304 -2.593 6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 379 10.545 -2.519 5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 379 10.761 -3.610 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 379 9.714 -1.581 8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 379 11.190 -2.547 9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 379 11.260 -0.772 9.264 1.00 0.00 H new ATOM 979 N ARG A 380 13.092 -1.933 4.690 1.00 0.00 N ATOM 980 CA ARG A 380 13.320 -1.598 3.302 1.00 0.00 C ATOM 981 C ARG A 380 12.255 -2.291 2.472 1.00 0.00 C ATOM 982 O ARG A 380 12.369 -3.475 2.157 1.00 0.00 O ATOM 983 CB ARG A 380 14.718 -2.054 2.877 1.00 0.00 C ATOM 984 CG ARG A 380 15.144 -1.593 1.493 1.00 0.00 C ATOM 985 CD ARG A 380 16.431 -2.286 1.073 1.00 0.00 C ATOM 986 NE ARG A 380 17.058 -1.653 -0.084 1.00 0.00 N ATOM 987 CZ ARG A 380 17.822 -2.303 -0.963 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.923 -3.629 -0.914 1.00 0.00 N ATOM 989 NH2 ARG A 380 18.447 -1.627 -1.922 1.00 0.00 N ATOM 0 H ARG A 380 13.128 -2.934 4.885 1.00 0.00 H new ATOM 0 HA ARG A 380 13.261 -0.520 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 380 15.442 -1.688 3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 380 14.756 -3.143 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 380 14.355 -1.810 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 380 15.289 -0.513 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 380 17.131 -2.282 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 380 16.218 -3.330 0.841 1.00 0.00 H new ATOM 0 HE ARG A 380 16.903 -0.655 -0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 380 17.415 -4.153 -0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 380 18.509 -4.121 -1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 380 18.341 -0.614 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 380 19.032 -2.121 -2.596 1.00 0.00 H new ATOM 1003 N LYS A 381 11.194 -1.570 2.172 1.00 0.00 N ATOM 1004 CA LYS A 381 10.068 -2.161 1.486 1.00 0.00 C ATOM 1005 C LYS A 381 10.068 -1.731 0.025 1.00 0.00 C ATOM 1006 O LYS A 381 10.166 -0.545 -0.290 1.00 0.00 O ATOM 1007 CB LYS A 381 8.760 -1.751 2.167 1.00 0.00 C ATOM 1008 CG LYS A 381 7.603 -2.717 1.942 1.00 0.00 C ATOM 1009 CD LYS A 381 6.290 -2.114 2.416 1.00 0.00 C ATOM 1010 CE LYS A 381 5.162 -3.135 2.449 1.00 0.00 C ATOM 1011 NZ LYS A 381 5.259 -4.041 3.629 1.00 0.00 N ATOM 0 H LYS A 381 11.090 -0.579 2.392 1.00 0.00 H new ATOM 0 HA LYS A 381 10.153 -3.247 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.936 -1.658 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 381 8.470 -0.765 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.532 -2.965 0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.793 -3.648 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 381 6.425 -1.693 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.012 -1.291 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 381 4.204 -2.615 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 381 5.184 -3.728 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.305 -4.332 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 5.815 -4.882 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 5.725 -3.541 4.413 1.00 0.00 H new ATOM 1025 N THR A 382 9.991 -2.706 -0.855 1.00 0.00 N ATOM 1026 CA THR A 382 10.009 -2.468 -2.284 1.00 0.00 C ATOM 1027 C THR A 382 9.050 -3.441 -2.964 1.00 0.00 C ATOM 1028 O THR A 382 8.738 -4.491 -2.408 1.00 0.00 O ATOM 1029 CB THR A 382 11.441 -2.657 -2.827 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.346 -1.825 -2.086 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.535 -2.313 -4.305 1.00 0.00 C ATOM 0 H THR A 382 9.914 -3.690 -0.599 1.00 0.00 H new ATOM 0 HA THR A 382 9.692 -1.446 -2.493 1.00 0.00 H new ATOM 0 HB THR A 382 11.708 -3.707 -2.709 1.00 0.00 H new ATOM 0 HG1 THR A 382 13.256 -1.945 -2.429 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.559 -2.459 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 382 10.866 -2.960 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 382 11.247 -1.273 -4.455 1.00 0.00 H new ATOM 1039 N ALA A 383 8.553 -3.092 -4.139 1.00 0.00 N ATOM 1040 CA ALA A 383 7.658 -3.975 -4.861 1.00 0.00 C ATOM 1041 C ALA A 383 7.748 -3.738 -6.355 1.00 0.00 C ATOM 1042 O ALA A 383 8.284 -2.725 -6.805 1.00 0.00 O ATOM 1043 CB ALA A 383 6.225 -3.785 -4.386 1.00 0.00 C ATOM 0 H ALA A 383 8.753 -2.209 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 383 7.964 -5.001 -4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.567 -4.455 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 383 6.162 -4.010 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.919 -2.753 -4.557 1.00 0.00 H new ATOM 1049 N TYR A 384 7.241 -4.684 -7.117 1.00 0.00 N ATOM 1050 CA TYR A 384 7.128 -4.533 -8.549 1.00 0.00 C ATOM 1051 C TYR A 384 5.708 -4.851 -8.966 1.00 0.00 C ATOM 1052 O TYR A 384 5.147 -5.862 -8.545 1.00 0.00 O ATOM 1053 CB TYR A 384 8.121 -5.441 -9.282 1.00 0.00 C ATOM 1054 CG TYR A 384 9.567 -5.080 -9.015 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.113 -3.906 -9.518 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.379 -5.907 -8.251 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.428 -3.569 -9.266 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.696 -5.573 -7.992 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.213 -4.403 -8.505 1.00 0.00 C ATOM 1060 OH TYR A 384 13.520 -4.059 -8.248 1.00 0.00 O ATOM 0 H TYR A 384 6.897 -5.576 -6.761 1.00 0.00 H new ATOM 0 HA TYR A 384 7.368 -3.504 -8.818 1.00 0.00 H new ATOM 0 HB2 TYR A 384 7.949 -6.474 -8.981 1.00 0.00 H new ATOM 0 HB3 TYR A 384 7.931 -5.386 -10.354 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.500 -3.247 -10.115 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.976 -6.826 -7.852 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.839 -2.653 -9.665 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.315 -6.224 -7.392 1.00 0.00 H new ATOM 0 HH TYR A 384 13.938 -4.752 -7.696 1.00 0.00 H new ATOM 1070 N CYS A 385 5.121 -3.983 -9.778 1.00 0.00 N ATOM 1071 CA CYS A 385 3.737 -4.172 -10.201 1.00 0.00 C ATOM 1072 C CYS A 385 3.592 -5.467 -10.996 1.00 0.00 C ATOM 1073 O CYS A 385 4.549 -5.938 -11.615 1.00 0.00 O ATOM 1074 CB CYS A 385 3.233 -2.960 -11.003 1.00 0.00 C ATOM 1075 SG CYS A 385 4.429 -2.249 -12.170 1.00 0.00 S ATOM 0 H CYS A 385 5.573 -3.150 -10.154 1.00 0.00 H new ATOM 0 HA CYS A 385 3.114 -4.254 -9.310 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.342 -3.257 -11.557 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.928 -2.183 -10.302 1.00 0.00 H new ATOM 0 HG CYS A 385 5.313 -1.555 -11.517 1.00 0.00 H new ATOM 1080 N ASP A 386 2.402 -6.056 -10.951 1.00 0.00 N ATOM 1081 CA ASP A 386 2.165 -7.362 -11.569 1.00 0.00 C ATOM 1082 C ASP A 386 2.439 -7.322 -13.070 1.00 0.00 C ATOM 1083 O ASP A 386 2.844 -8.321 -13.660 1.00 0.00 O ATOM 1084 CB ASP A 386 0.733 -7.840 -11.308 1.00 0.00 C ATOM 1085 CG ASP A 386 -0.272 -7.222 -12.258 1.00 0.00 C ATOM 1086 OD1 ASP A 386 -0.508 -6.000 -12.171 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.817 -7.959 -13.107 1.00 0.00 O ATOM 0 H ASP A 386 1.584 -5.652 -10.494 1.00 0.00 H new ATOM 0 HA ASP A 386 2.857 -8.069 -11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.694 -8.925 -11.400 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.454 -7.597 -10.283 1.00 0.00 H new ATOM 1092 N VAL A 387 2.242 -6.161 -13.675 1.00 0.00 N ATOM 1093 CA VAL A 387 2.493 -5.983 -15.101 1.00 0.00 C ATOM 1094 C VAL A 387 3.933 -5.532 -15.355 1.00 0.00 C ATOM 1095 O VAL A 387 4.272 -5.059 -16.438 1.00 0.00 O ATOM 1096 CB VAL A 387 1.517 -4.952 -15.712 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.082 -5.437 -15.587 1.00 0.00 C ATOM 1098 CG2 VAL A 387 1.678 -3.591 -15.045 1.00 0.00 C ATOM 0 H VAL A 387 1.907 -5.323 -13.200 1.00 0.00 H new ATOM 0 HA VAL A 387 2.335 -6.949 -15.580 1.00 0.00 H new ATOM 0 HB VAL A 387 1.756 -4.844 -16.770 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -0.591 -4.698 -16.022 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -0.029 -6.385 -16.114 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -0.165 -5.576 -14.534 1.00 0.00 H new ATOM 0 HG21 VAL A 387 0.981 -2.882 -15.492 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.470 -3.681 -13.979 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.698 -3.235 -15.187 1.00 0.00 H new ATOM 1108 N HIS A 388 4.780 -5.693 -14.349 1.00 0.00 N ATOM 1109 CA HIS A 388 6.166 -5.243 -14.429 1.00 0.00 C ATOM 1110 C HIS A 388 7.126 -6.428 -14.408 1.00 0.00 C ATOM 1111 O HIS A 388 8.262 -6.328 -14.868 1.00 0.00 O ATOM 1112 CB HIS A 388 6.463 -4.318 -13.249 1.00 0.00 C ATOM 1113 CG HIS A 388 7.556 -3.322 -13.481 1.00 0.00 C ATOM 1114 ND1 HIS A 388 7.484 -2.004 -13.035 1.00 0.00 N ATOM 1115 CD2 HIS A 388 8.765 -3.454 -14.076 1.00 0.00 C ATOM 1116 CE1 HIS A 388 8.621 -1.394 -13.355 1.00 0.00 C ATOM 1117 NE2 HIS A 388 9.403 -2.245 -13.984 1.00 0.00 N ATOM 0 H HIS A 388 4.532 -6.134 -13.463 1.00 0.00 H new ATOM 0 HA HIS A 388 6.307 -4.707 -15.368 1.00 0.00 H new ATOM 0 HB2 HIS A 388 5.551 -3.780 -12.991 1.00 0.00 H new ATOM 0 HB3 HIS A 388 6.727 -4.929 -12.386 1.00 0.00 H new ATOM 0 HD1 HIS A 388 6.695 -1.580 -12.547 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.155 -4.349 -14.539 1.00 0.00 H new ATOM 0 HE1 HIS A 388 8.864 -0.365 -13.134 1.00 0.00 H new ATOM 1125 N THR A 389 6.671 -7.547 -13.870 1.00 0.00 N ATOM 1126 CA THR A 389 7.536 -8.707 -13.708 1.00 0.00 C ATOM 1127 C THR A 389 7.597 -9.565 -14.988 1.00 0.00 C ATOM 1128 O THR A 389 8.687 -9.784 -15.516 1.00 0.00 O ATOM 1129 CB THR A 389 7.102 -9.559 -12.493 1.00 0.00 C ATOM 1130 OG1 THR A 389 6.977 -8.716 -11.335 1.00 0.00 O ATOM 1131 CG2 THR A 389 8.111 -10.664 -12.209 1.00 0.00 C ATOM 0 H THR A 389 5.715 -7.678 -13.540 1.00 0.00 H new ATOM 0 HA THR A 389 8.542 -8.333 -13.521 1.00 0.00 H new ATOM 0 HB THR A 389 6.142 -10.021 -12.724 1.00 0.00 H new ATOM 0 HG1 THR A 389 6.700 -9.256 -10.566 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.780 -11.247 -11.350 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.192 -11.315 -13.079 1.00 0.00 H new ATOM 0 HG23 THR A 389 9.084 -10.222 -11.994 1.00 0.00 H new ATOM 1139 N PRO A 390 6.441 -10.071 -15.498 1.00 0.00 N ATOM 1140 CA PRO A 390 6.390 -10.864 -16.738 1.00 0.00 C ATOM 1141 C PRO A 390 7.203 -10.294 -17.920 1.00 0.00 C ATOM 1142 O PRO A 390 7.910 -11.062 -18.572 1.00 0.00 O ATOM 1143 CB PRO A 390 4.896 -10.928 -17.096 1.00 0.00 C ATOM 1144 CG PRO A 390 4.168 -10.147 -16.046 1.00 0.00 C ATOM 1145 CD PRO A 390 5.109 -9.980 -14.885 1.00 0.00 C ATOM 0 HA PRO A 390 6.851 -11.836 -16.562 1.00 0.00 H new ATOM 0 HB2 PRO A 390 4.717 -10.507 -18.085 1.00 0.00 H new ATOM 0 HB3 PRO A 390 4.548 -11.961 -17.121 1.00 0.00 H new ATOM 0 HG2 PRO A 390 3.859 -9.176 -16.434 1.00 0.00 H new ATOM 0 HG3 PRO A 390 3.263 -10.669 -15.736 1.00 0.00 H new ATOM 0 HD2 PRO A 390 4.963 -9.022 -14.386 1.00 0.00 H new ATOM 0 HD3 PRO A 390 4.960 -10.756 -14.134 1.00 0.00 H new