USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 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 Single : A 17 ASN : amide:sc= -0.0514 K(o=-0.051,f=-0.93) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.292 X(o=0.29,f=-0.091) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 0.898 (180deg=0.858) USER MOD Single : A 25 SER OG : rot -170:sc= -0.34 USER MOD Single : A 29 SER OG : rot 180:sc= 0.112 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -101:sc= 1.23 (180deg=-0.324) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -142:sc= -0.562 (180deg=-2.08!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.3) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0958 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0901 K(o=-0.09,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ -149:sc= 1.2 (180deg=-0.57) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 11.128 -2.379 -3.241 1.00 0.00 N ATOM 191 CA ILE A 16 10.032 -1.451 -3.514 1.00 0.00 C ATOM 192 C ILE A 16 8.775 -2.190 -3.973 1.00 0.00 C ATOM 193 O ILE A 16 7.675 -1.915 -3.490 1.00 0.00 O ATOM 194 CB ILE A 16 10.425 -0.411 -4.589 1.00 0.00 C ATOM 195 CG1 ILE A 16 11.715 0.308 -4.190 1.00 0.00 C ATOM 196 CG2 ILE A 16 9.301 0.594 -4.803 1.00 0.00 C ATOM 197 CD1 ILE A 16 12.347 1.094 -5.320 1.00 0.00 C ATOM 0 HA ILE A 16 9.822 -0.935 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 16 10.596 -0.938 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.502 0.985 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.432 -0.427 -3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.599 1.316 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.403 0.071 -5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.096 1.115 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.257 1.577 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.592 0.419 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.648 1.853 -5.671 1.00 0.00 H new ATOM 209 N ASN A 17 8.945 -3.123 -4.907 1.00 0.00 N ATOM 210 CA ASN A 17 7.822 -3.895 -5.441 1.00 0.00 C ATOM 211 C ASN A 17 7.118 -4.672 -4.334 1.00 0.00 C ATOM 212 O ASN A 17 5.888 -4.766 -4.312 1.00 0.00 O ATOM 213 CB ASN A 17 8.304 -4.866 -6.528 1.00 0.00 C ATOM 214 CG ASN A 17 7.341 -4.965 -7.698 1.00 0.00 C ATOM 215 OD1 ASN A 17 6.171 -4.595 -7.597 1.00 0.00 O ATOM 216 ND2 ASN A 17 7.831 -5.469 -8.821 1.00 0.00 N ATOM 0 H ASN A 17 9.850 -3.364 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 17 7.113 -3.192 -5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.279 -4.542 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.440 -5.855 -6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.233 -5.562 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.806 -5.764 -8.865 1.00 0.00 H new ATOM 223 N ASN A 18 7.900 -5.227 -3.420 1.00 0.00 N ATOM 224 CA ASN A 18 7.348 -6.001 -2.316 1.00 0.00 C ATOM 225 C ASN A 18 6.657 -5.096 -1.306 1.00 0.00 C ATOM 226 O ASN A 18 5.592 -5.432 -0.789 1.00 0.00 O ATOM 227 CB ASN A 18 8.446 -6.807 -1.622 1.00 0.00 C ATOM 228 CG ASN A 18 8.026 -8.237 -1.345 1.00 0.00 C ATOM 229 OD1 ASN A 18 7.999 -9.073 -2.249 1.00 0.00 O ATOM 230 ND2 ASN A 18 7.703 -8.531 -0.096 1.00 0.00 N ATOM 0 H ASN A 18 8.918 -5.157 -3.420 1.00 0.00 H new ATOM 0 HA ASN A 18 6.610 -6.688 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.341 -6.808 -2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.712 -6.321 -0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.418 -9.480 0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.739 -7.809 0.623 1.00 0.00 H new ATOM 237 N TYR A 19 7.274 -3.955 -1.017 1.00 0.00 N ATOM 238 CA TYR A 19 6.731 -3.015 -0.053 1.00 0.00 C ATOM 239 C TYR A 19 5.383 -2.475 -0.515 1.00 0.00 C ATOM 240 O TYR A 19 4.451 -2.355 0.279 1.00 0.00 O ATOM 241 CB TYR A 19 7.716 -1.869 0.172 1.00 0.00 C ATOM 242 CG TYR A 19 8.526 -2.017 1.438 1.00 0.00 C ATOM 243 CD1 TYR A 19 9.688 -2.777 1.447 1.00 0.00 C ATOM 244 CD2 TYR A 19 8.132 -1.402 2.619 1.00 0.00 C ATOM 245 CE1 TYR A 19 10.433 -2.926 2.599 1.00 0.00 C ATOM 246 CE2 TYR A 19 8.874 -1.545 3.776 1.00 0.00 C ATOM 247 CZ TYR A 19 10.025 -2.306 3.761 1.00 0.00 C ATOM 248 OH TYR A 19 10.765 -2.455 4.910 1.00 0.00 O ATOM 0 H TYR A 19 8.154 -3.661 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 19 6.577 -3.540 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.394 -1.809 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.166 -0.929 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.014 -3.259 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.233 -0.804 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.331 -3.525 2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.554 -1.063 4.688 1.00 0.00 H new ATOM 0 HH TYR A 19 10.342 -1.954 5.639 1.00 0.00 H new ATOM 258 N ALA A 20 5.272 -2.200 -1.810 1.00 0.00 N ATOM 259 CA ALA A 20 4.020 -1.724 -2.387 1.00 0.00 C ATOM 260 C ALA A 20 2.922 -2.772 -2.237 1.00 0.00 C ATOM 261 O ALA A 20 1.765 -2.444 -1.968 1.00 0.00 O ATOM 262 CB ALA A 20 4.212 -1.363 -3.853 1.00 0.00 C ATOM 0 H ALA A 20 6.034 -2.299 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 20 3.715 -0.829 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.268 -1.010 -4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.963 -0.577 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.543 -2.243 -4.404 1.00 0.00 H new ATOM 268 N GLY A 21 3.300 -4.035 -2.381 1.00 0.00 N ATOM 269 CA GLY A 21 2.349 -5.117 -2.227 1.00 0.00 C ATOM 270 C GLY A 21 1.981 -5.360 -0.777 1.00 0.00 C ATOM 271 O GLY A 21 0.824 -5.650 -0.465 1.00 0.00 O ATOM 0 H GLY A 21 4.251 -4.330 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.447 -4.888 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.769 -6.029 -2.650 1.00 0.00 H new ATOM 275 N GLN A 22 2.974 -5.267 0.104 1.00 0.00 N ATOM 276 CA GLN A 22 2.777 -5.511 1.529 1.00 0.00 C ATOM 277 C GLN A 22 1.801 -4.503 2.139 1.00 0.00 C ATOM 278 O GLN A 22 1.115 -4.807 3.117 1.00 0.00 O ATOM 279 CB GLN A 22 4.127 -5.492 2.268 1.00 0.00 C ATOM 280 CG GLN A 22 4.459 -4.175 2.954 1.00 0.00 C ATOM 281 CD GLN A 22 4.513 -4.301 4.463 1.00 0.00 C ATOM 282 OE1 GLN A 22 5.576 -4.169 5.070 1.00 0.00 O ATOM 283 NE2 GLN A 22 3.367 -4.556 5.078 1.00 0.00 N ATOM 0 H GLN A 22 3.931 -5.022 -0.148 1.00 0.00 H new ATOM 0 HA GLN A 22 2.335 -6.501 1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.128 -6.285 3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.919 -5.725 1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.420 -3.812 2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.712 -3.429 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.509 -4.658 4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.343 -4.650 6.093 1.00 0.00 H new ATOM 292 N ILE A 23 1.716 -3.322 1.535 1.00 0.00 N ATOM 293 CA ILE A 23 0.788 -2.296 1.991 1.00 0.00 C ATOM 294 C ILE A 23 -0.649 -2.790 1.848 1.00 0.00 C ATOM 295 O ILE A 23 -1.486 -2.579 2.724 1.00 0.00 O ATOM 296 CB ILE A 23 0.966 -0.975 1.200 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.315 -0.332 1.528 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.168 0.000 1.505 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.776 0.673 0.495 1.00 0.00 C ATOM 0 H ILE A 23 2.279 -3.053 0.728 1.00 0.00 H new ATOM 0 HA ILE A 23 1.005 -2.095 3.040 1.00 0.00 H new ATOM 0 HB ILE A 23 0.939 -1.213 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.246 0.162 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.068 -1.115 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.020 0.919 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.120 -0.450 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.175 0.228 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.739 1.087 0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.878 0.180 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.044 1.477 0.417 1.00 0.00 H new ATOM 311 N LYS A 24 -0.908 -3.494 0.755 1.00 0.00 N ATOM 312 CA LYS A 24 -2.224 -4.064 0.505 1.00 0.00 C ATOM 313 C LYS A 24 -2.479 -5.279 1.399 1.00 0.00 C ATOM 314 O LYS A 24 -3.622 -5.572 1.747 1.00 0.00 O ATOM 315 CB LYS A 24 -2.368 -4.459 -0.967 1.00 0.00 C ATOM 316 CG LYS A 24 -1.617 -3.554 -1.934 1.00 0.00 C ATOM 317 CD LYS A 24 -1.890 -3.943 -3.378 1.00 0.00 C ATOM 318 CE LYS A 24 -0.800 -3.440 -4.312 1.00 0.00 C ATOM 319 NZ LYS A 24 -1.119 -3.719 -5.739 1.00 0.00 N ATOM 0 H LYS A 24 -0.221 -3.684 0.025 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.966 -3.302 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.012 -5.481 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.426 -4.455 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.914 -2.518 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.547 -3.613 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.963 -5.028 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.852 -3.536 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.669 -2.367 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.147 -3.913 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.302 -3.469 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.335 -4.730 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.942 -3.153 -6.028 1.00 0.00 H new ATOM 333 N SER A 25 -1.413 -5.981 1.772 1.00 0.00 N ATOM 334 CA SER A 25 -1.532 -7.157 2.628 1.00 0.00 C ATOM 335 C SER A 25 -1.983 -6.760 4.029 1.00 0.00 C ATOM 336 O SER A 25 -2.809 -7.440 4.641 1.00 0.00 O ATOM 337 CB SER A 25 -0.195 -7.898 2.698 1.00 0.00 C ATOM 338 OG SER A 25 0.440 -7.915 1.431 1.00 0.00 O ATOM 0 H SER A 25 -0.457 -5.756 1.495 1.00 0.00 H new ATOM 0 HA SER A 25 -2.283 -7.820 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.455 -7.416 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.358 -8.920 3.041 1.00 0.00 H new ATOM 0 HG SER A 25 1.208 -8.523 1.458 1.00 0.00 H new ATOM 344 N ALA A 26 -1.452 -5.640 4.512 1.00 0.00 N ATOM 345 CA ALA A 26 -1.799 -5.111 5.828 1.00 0.00 C ATOM 346 C ALA A 26 -3.293 -4.832 5.941 1.00 0.00 C ATOM 347 O ALA A 26 -3.871 -4.888 7.030 1.00 0.00 O ATOM 348 CB ALA A 26 -1.011 -3.839 6.098 1.00 0.00 C ATOM 0 H ALA A 26 -0.771 -5.075 4.004 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.542 -5.864 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.275 -3.450 7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.056 -4.059 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.249 -3.095 5.337 1.00 0.00 H new ATOM 354 N ILE A 27 -3.891 -4.464 4.817 1.00 0.00 N ATOM 355 CA ILE A 27 -5.298 -4.090 4.765 1.00 0.00 C ATOM 356 C ILE A 27 -6.212 -5.281 5.075 1.00 0.00 C ATOM 357 O ILE A 27 -7.290 -5.113 5.649 1.00 0.00 O ATOM 358 CB ILE A 27 -5.646 -3.499 3.380 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.755 -2.282 3.103 1.00 0.00 C ATOM 360 CG2 ILE A 27 -7.119 -3.124 3.293 1.00 0.00 C ATOM 361 CD1 ILE A 27 -5.074 -1.560 1.809 1.00 0.00 C ATOM 0 H ILE A 27 -3.415 -4.416 3.916 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.466 -3.333 5.531 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.460 -4.258 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.851 -1.580 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.714 -2.606 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.332 -2.711 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.731 -4.012 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.351 -2.380 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.399 -0.713 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.949 -2.245 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.103 -1.203 1.836 1.00 0.00 H new ATOM 373 N GLU A 28 -5.784 -6.486 4.715 1.00 0.00 N ATOM 374 CA GLU A 28 -6.586 -7.674 4.982 1.00 0.00 C ATOM 375 C GLU A 28 -6.594 -8.008 6.469 1.00 0.00 C ATOM 376 O GLU A 28 -7.599 -8.476 7.003 1.00 0.00 O ATOM 377 CB GLU A 28 -6.086 -8.872 4.177 1.00 0.00 C ATOM 378 CG GLU A 28 -7.157 -9.929 3.945 1.00 0.00 C ATOM 379 CD GLU A 28 -6.915 -11.187 4.754 1.00 0.00 C ATOM 380 OE1 GLU A 28 -6.065 -12.009 4.347 1.00 0.00 O ATOM 381 OE2 GLU A 28 -7.573 -11.356 5.800 1.00 0.00 O ATOM 0 H GLU A 28 -4.898 -6.665 4.243 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.607 -7.453 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.714 -8.524 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.244 -9.326 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.132 -9.516 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.189 -10.183 2.885 1.00 0.00 H new ATOM 388 N SER A 29 -5.488 -7.725 7.143 1.00 0.00 N ATOM 389 CA SER A 29 -5.380 -7.966 8.577 1.00 0.00 C ATOM 390 C SER A 29 -6.251 -6.997 9.383 1.00 0.00 C ATOM 391 O SER A 29 -6.263 -7.036 10.614 1.00 0.00 O ATOM 392 CB SER A 29 -3.920 -7.844 9.007 1.00 0.00 C ATOM 393 OG SER A 29 -3.056 -7.912 7.883 1.00 0.00 O ATOM 0 H SER A 29 -4.650 -7.327 6.719 1.00 0.00 H new ATOM 0 HA SER A 29 -5.740 -8.975 8.779 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.768 -6.901 9.531 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.675 -8.642 9.708 1.00 0.00 H new ATOM 0 HG SER A 29 -2.126 -7.830 8.180 1.00 0.00 H new ATOM 399 N LYS A 30 -7.031 -6.172 8.688 1.00 0.00 N ATOM 400 CA LYS A 30 -7.949 -5.259 9.351 1.00 0.00 C ATOM 401 C LYS A 30 -9.371 -5.569 8.926 1.00 0.00 C ATOM 402 O LYS A 30 -10.318 -4.890 9.330 1.00 0.00 O ATOM 403 CB LYS A 30 -7.625 -3.794 9.022 1.00 0.00 C ATOM 404 CG LYS A 30 -6.138 -3.482 8.896 1.00 0.00 C ATOM 405 CD LYS A 30 -5.365 -3.808 10.167 1.00 0.00 C ATOM 406 CE LYS A 30 -6.053 -3.279 11.414 1.00 0.00 C ATOM 407 NZ LYS A 30 -5.929 -4.228 12.549 1.00 0.00 N ATOM 0 H LYS A 30 -7.043 -6.119 7.669 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.840 -5.397 10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.118 -3.528 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.051 -3.159 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.720 -4.049 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.010 -2.426 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.247 -4.888 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.364 -3.383 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.617 -2.319 11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.107 -3.101 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.410 -3.836 13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.367 -5.136 12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.923 -4.378 12.767 1.00 0.00 H new ATOM 421 N PHE A 31 -9.510 -6.562 8.059 1.00 0.00 N ATOM 422 CA PHE A 31 -10.806 -6.919 7.522 1.00 0.00 C ATOM 423 C PHE A 31 -11.135 -8.387 7.790 1.00 0.00 C ATOM 424 O PHE A 31 -12.304 -8.738 7.950 1.00 0.00 O ATOM 425 CB PHE A 31 -10.851 -6.621 6.022 1.00 0.00 C ATOM 426 CG PHE A 31 -11.775 -5.488 5.662 1.00 0.00 C ATOM 427 CD1 PHE A 31 -12.005 -4.451 6.555 1.00 0.00 C ATOM 428 CD2 PHE A 31 -12.415 -5.459 4.435 1.00 0.00 C ATOM 429 CE1 PHE A 31 -12.848 -3.408 6.228 1.00 0.00 C ATOM 430 CE2 PHE A 31 -13.260 -4.420 4.104 1.00 0.00 C ATOM 431 CZ PHE A 31 -13.479 -3.394 5.002 1.00 0.00 C ATOM 0 H PHE A 31 -8.738 -7.132 7.715 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.561 -6.316 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.845 -6.383 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.166 -7.519 5.491 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.518 -4.460 7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.251 -6.259 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.013 -2.605 6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -13.751 -4.409 3.142 1.00 0.00 H new ATOM 0 HZ PHE A 31 -14.143 -2.582 4.745 1.00 0.00 H new ATOM 544 N LYS A 40 -12.452 -7.168 -8.398 1.00 0.00 N ATOM 545 CA LYS A 40 -12.634 -5.789 -8.818 1.00 0.00 C ATOM 546 C LYS A 40 -11.292 -5.069 -8.854 1.00 0.00 C ATOM 547 O LYS A 40 -10.304 -5.550 -8.295 1.00 0.00 O ATOM 548 CB LYS A 40 -13.584 -5.055 -7.863 1.00 0.00 C ATOM 549 CG LYS A 40 -14.460 -5.971 -7.025 1.00 0.00 C ATOM 550 CD LYS A 40 -15.901 -5.489 -6.994 1.00 0.00 C ATOM 551 CE LYS A 40 -16.717 -6.112 -8.116 1.00 0.00 C ATOM 552 NZ LYS A 40 -17.322 -5.080 -8.996 1.00 0.00 N ATOM 0 HA LYS A 40 -13.069 -5.791 -9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.995 -4.425 -7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.224 -4.392 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.422 -6.982 -7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -14.070 -6.020 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.350 -5.740 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.925 -4.403 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.079 -6.767 -8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.504 -6.734 -7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.324 -4.955 -8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.819 -4.178 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.247 -5.383 -9.988 1.00 0.00 H new ATOM 566 N THR A 41 -11.272 -3.904 -9.483 1.00 0.00 N ATOM 567 CA THR A 41 -10.067 -3.098 -9.558 1.00 0.00 C ATOM 568 C THR A 41 -10.270 -1.751 -8.874 1.00 0.00 C ATOM 569 O THR A 41 -11.139 -0.973 -9.259 1.00 0.00 O ATOM 570 CB THR A 41 -9.639 -2.869 -11.018 1.00 0.00 C ATOM 571 OG1 THR A 41 -9.689 -4.108 -11.738 1.00 0.00 O ATOM 572 CG2 THR A 41 -8.232 -2.292 -11.084 1.00 0.00 C ATOM 0 H THR A 41 -12.081 -3.496 -9.950 1.00 0.00 H new ATOM 0 HA THR A 41 -9.279 -3.647 -9.042 1.00 0.00 H new ATOM 0 HB THR A 41 -10.327 -2.156 -11.472 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.417 -3.957 -12.667 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.950 -2.138 -12.126 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.205 -1.339 -10.556 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.532 -2.985 -10.617 1.00 0.00 H new ATOM 580 N CYS A 42 -9.451 -1.476 -7.876 1.00 0.00 N ATOM 581 CA CYS A 42 -9.508 -0.214 -7.156 1.00 0.00 C ATOM 582 C CYS A 42 -8.209 0.552 -7.374 1.00 0.00 C ATOM 583 O CYS A 42 -7.160 -0.051 -7.609 1.00 0.00 O ATOM 584 CB CYS A 42 -9.743 -0.471 -5.663 1.00 0.00 C ATOM 585 SG CYS A 42 -9.420 0.965 -4.586 1.00 0.00 S ATOM 0 H CYS A 42 -8.731 -2.116 -7.542 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.337 0.384 -7.533 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.775 -0.790 -5.521 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.107 -1.297 -5.345 1.00 0.00 H new ATOM 590 N THR A 43 -8.281 1.872 -7.324 1.00 0.00 N ATOM 591 CA THR A 43 -7.114 2.714 -7.535 1.00 0.00 C ATOM 592 C THR A 43 -7.093 3.855 -6.525 1.00 0.00 C ATOM 593 O THR A 43 -7.829 4.832 -6.658 1.00 0.00 O ATOM 594 CB THR A 43 -7.094 3.290 -8.967 1.00 0.00 C ATOM 595 OG1 THR A 43 -7.519 2.287 -9.905 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.702 3.783 -9.337 1.00 0.00 C ATOM 0 H THR A 43 -9.142 2.387 -7.138 1.00 0.00 H new ATOM 0 HA THR A 43 -6.228 2.094 -7.398 1.00 0.00 H new ATOM 0 HB THR A 43 -7.780 4.136 -9.003 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.505 2.660 -10.811 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.715 4.184 -10.351 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.396 4.565 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.996 2.954 -9.284 1.00 0.00 H new ATOM 604 N LEU A 44 -6.263 3.720 -5.503 1.00 0.00 N ATOM 605 CA LEU A 44 -6.167 4.732 -4.465 1.00 0.00 C ATOM 606 C LEU A 44 -4.942 5.600 -4.684 1.00 0.00 C ATOM 607 O LEU A 44 -3.842 5.088 -4.870 1.00 0.00 O ATOM 608 CB LEU A 44 -6.086 4.085 -3.079 1.00 0.00 C ATOM 609 CG LEU A 44 -7.098 2.972 -2.816 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.445 1.836 -2.047 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.296 3.515 -2.053 1.00 0.00 C ATOM 0 H LEU A 44 -5.646 2.919 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.064 5.349 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.083 3.680 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.221 4.861 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.447 2.585 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.178 1.050 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.616 1.432 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.072 2.209 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.008 2.710 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.964 3.926 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.775 4.299 -2.639 1.00 0.00 H new ATOM 623 N ARG A 45 -5.113 6.901 -4.531 1.00 0.00 N ATOM 624 CA ARG A 45 -3.986 7.811 -4.568 1.00 0.00 C ATOM 625 C ARG A 45 -3.368 7.879 -3.178 1.00 0.00 C ATOM 626 O ARG A 45 -4.079 8.038 -2.183 1.00 0.00 O ATOM 627 CB ARG A 45 -4.410 9.204 -5.064 1.00 0.00 C ATOM 628 CG ARG A 45 -5.189 10.025 -4.051 1.00 0.00 C ATOM 629 CD ARG A 45 -5.846 11.225 -4.701 1.00 0.00 C ATOM 630 NE ARG A 45 -5.013 12.422 -4.608 1.00 0.00 N ATOM 631 CZ ARG A 45 -4.829 13.283 -5.610 1.00 0.00 C ATOM 632 NH1 ARG A 45 -5.382 13.057 -6.796 1.00 0.00 N ATOM 633 NH2 ARG A 45 -4.071 14.355 -5.433 1.00 0.00 N ATOM 0 H ARG A 45 -6.017 7.348 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.243 7.441 -5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.518 9.759 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.017 9.087 -5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.950 9.401 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.519 10.360 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.048 11.004 -5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.808 11.414 -4.224 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.543 12.611 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.950 12.223 -6.943 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.239 13.718 -7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.627 14.523 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.931 15.013 -6.200 1.00 0.00 H new ATOM 647 N ILE A 46 -2.079 7.606 -3.097 1.00 0.00 N ATOM 648 CA ILE A 46 -1.423 7.496 -1.809 1.00 0.00 C ATOM 649 C ILE A 46 -0.190 8.381 -1.744 1.00 0.00 C ATOM 650 O ILE A 46 0.833 8.098 -2.373 1.00 0.00 O ATOM 651 CB ILE A 46 -1.020 6.042 -1.478 1.00 0.00 C ATOM 652 CG1 ILE A 46 -1.706 5.051 -2.426 1.00 0.00 C ATOM 653 CG2 ILE A 46 -1.373 5.723 -0.035 1.00 0.00 C ATOM 654 CD1 ILE A 46 -1.392 3.602 -2.124 1.00 0.00 C ATOM 0 H ILE A 46 -1.470 7.457 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.150 7.828 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 46 0.057 5.945 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.785 5.198 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.404 5.273 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.086 4.696 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.840 6.403 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.447 5.840 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.912 2.961 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.318 3.438 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.719 3.362 -1.112 1.00 0.00 H new ATOM 666 N LYS A 47 -0.279 9.415 -0.931 1.00 0.00 N ATOM 667 CA LYS A 47 0.837 10.311 -0.703 1.00 0.00 C ATOM 668 C LYS A 47 1.384 10.071 0.699 1.00 0.00 C ATOM 669 O LYS A 47 0.717 10.385 1.690 1.00 0.00 O ATOM 670 CB LYS A 47 0.380 11.766 -0.856 1.00 0.00 C ATOM 671 CG LYS A 47 1.505 12.784 -0.772 1.00 0.00 C ATOM 672 CD LYS A 47 1.067 14.140 -1.300 1.00 0.00 C ATOM 673 CE LYS A 47 1.002 14.157 -2.821 1.00 0.00 C ATOM 674 NZ LYS A 47 0.294 15.360 -3.331 1.00 0.00 N ATOM 0 H LYS A 47 -1.123 9.657 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 47 1.621 10.119 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.125 11.878 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.354 11.988 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.831 12.883 0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.362 12.429 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.088 14.391 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.762 14.906 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.013 14.131 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.493 13.260 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.271 15.335 -4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.679 15.372 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.794 16.216 -3.017 1.00 0.00 H new ATOM 688 N LEU A 48 2.519 9.392 0.789 1.00 0.00 N ATOM 689 CA LEU A 48 3.049 8.979 2.077 1.00 0.00 C ATOM 690 C LEU A 48 4.093 9.957 2.602 1.00 0.00 C ATOM 691 O LEU A 48 4.932 10.453 1.854 1.00 0.00 O ATOM 692 CB LEU A 48 3.657 7.580 1.974 1.00 0.00 C ATOM 693 CG LEU A 48 3.695 6.802 3.283 1.00 0.00 C ATOM 694 CD1 LEU A 48 2.400 6.030 3.483 1.00 0.00 C ATOM 695 CD2 LEU A 48 4.888 5.861 3.314 1.00 0.00 C ATOM 0 H LEU A 48 3.087 9.117 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 48 2.218 8.966 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.089 7.005 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.673 7.668 1.590 1.00 0.00 H new ATOM 0 HG LEU A 48 3.801 7.514 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.446 5.480 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.562 6.726 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.263 5.329 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.896 5.315 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.816 5.155 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.808 6.437 3.220 1.00 0.00 H new ATOM 707 N ALA A 49 4.071 10.163 3.910 1.00 0.00 N ATOM 708 CA ALA A 49 5.052 11.004 4.578 1.00 0.00 C ATOM 709 C ALA A 49 6.126 10.130 5.232 1.00 0.00 C ATOM 710 O ALA A 49 5.936 8.921 5.364 1.00 0.00 O ATOM 711 CB ALA A 49 4.353 11.874 5.616 1.00 0.00 C ATOM 0 H ALA A 49 3.377 9.754 4.535 1.00 0.00 H new ATOM 0 HA ALA A 49 5.537 11.653 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.088 12.504 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.611 12.503 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.860 11.238 6.351 1.00 0.00 H new ATOM 717 N PRO A 50 7.269 10.714 5.655 1.00 0.00 N ATOM 718 CA PRO A 50 8.363 9.957 6.299 1.00 0.00 C ATOM 719 C PRO A 50 7.931 9.294 7.610 1.00 0.00 C ATOM 720 O PRO A 50 8.636 8.441 8.153 1.00 0.00 O ATOM 721 CB PRO A 50 9.436 11.021 6.567 1.00 0.00 C ATOM 722 CG PRO A 50 8.712 12.323 6.534 1.00 0.00 C ATOM 723 CD PRO A 50 7.600 12.149 5.542 1.00 0.00 C ATOM 0 HA PRO A 50 8.706 9.137 5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.916 10.862 7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.221 10.988 5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.321 12.578 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.378 13.133 6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.744 12.780 5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.916 12.411 4.532 1.00 0.00 H new ATOM 731 N ASP A 51 6.744 9.654 8.079 1.00 0.00 N ATOM 732 CA ASP A 51 6.177 9.067 9.287 1.00 0.00 C ATOM 733 C ASP A 51 5.488 7.744 8.965 1.00 0.00 C ATOM 734 O ASP A 51 5.011 7.043 9.857 1.00 0.00 O ATOM 735 CB ASP A 51 5.172 10.030 9.923 1.00 0.00 C ATOM 736 CG ASP A 51 5.312 10.109 11.427 1.00 0.00 C ATOM 737 OD1 ASP A 51 6.246 10.784 11.905 1.00 0.00 O ATOM 738 OD2 ASP A 51 4.489 9.504 12.143 1.00 0.00 O ATOM 0 H ASP A 51 6.150 10.356 7.637 1.00 0.00 H new ATOM 0 HA ASP A 51 6.988 8.881 9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.307 11.024 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.160 9.711 9.672 1.00 0.00 H new ATOM 743 N GLY A 52 5.402 7.436 7.674 1.00 0.00 N ATOM 744 CA GLY A 52 4.730 6.228 7.226 1.00 0.00 C ATOM 745 C GLY A 52 3.228 6.383 7.235 1.00 0.00 C ATOM 746 O GLY A 52 2.486 5.404 7.169 1.00 0.00 O ATOM 0 H GLY A 52 5.790 8.008 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.063 5.980 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.013 5.395 7.870 1.00 0.00 H new ATOM 750 N MET A 53 2.780 7.624 7.293 1.00 0.00 N ATOM 751 CA MET A 53 1.363 7.921 7.282 1.00 0.00 C ATOM 752 C MET A 53 0.953 8.460 5.919 1.00 0.00 C ATOM 753 O MET A 53 1.718 9.177 5.267 1.00 0.00 O ATOM 754 CB MET A 53 1.012 8.930 8.383 1.00 0.00 C ATOM 755 CG MET A 53 1.425 10.362 8.067 1.00 0.00 C ATOM 756 SD MET A 53 0.300 11.592 8.759 1.00 0.00 S ATOM 757 CE MET A 53 -1.275 11.037 8.107 1.00 0.00 C ATOM 0 H MET A 53 3.382 8.445 7.348 1.00 0.00 H new ATOM 0 HA MET A 53 0.814 7.000 7.476 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.064 8.903 8.556 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.492 8.621 9.311 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.429 10.538 8.454 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.473 10.490 6.986 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.883 11.901 7.840 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.107 10.424 7.222 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.794 10.448 8.863 1.00 0.00 H new ATOM 767 N LEU A 54 -0.261 8.139 5.511 1.00 0.00 N ATOM 768 CA LEU A 54 -0.791 8.623 4.249 1.00 0.00 C ATOM 769 C LEU A 54 -1.508 9.946 4.473 1.00 0.00 C ATOM 770 O LEU A 54 -2.625 9.975 4.984 1.00 0.00 O ATOM 771 CB LEU A 54 -1.750 7.597 3.634 1.00 0.00 C ATOM 772 CG LEU A 54 -1.830 6.254 4.367 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.272 5.922 4.717 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.221 5.146 3.522 1.00 0.00 C ATOM 0 H LEU A 54 -0.901 7.543 6.037 1.00 0.00 H new ATOM 0 HA LEU A 54 0.035 8.773 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.748 8.033 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.446 7.412 2.604 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.260 6.335 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.309 4.965 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.679 6.701 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.864 5.862 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.287 4.200 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.764 5.067 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.175 5.376 3.320 1.00 0.00 H new ATOM 786 N LEU A 55 -0.842 11.039 4.125 1.00 0.00 N ATOM 787 CA LEU A 55 -1.411 12.367 4.327 1.00 0.00 C ATOM 788 C LEU A 55 -2.492 12.637 3.286 1.00 0.00 C ATOM 789 O LEU A 55 -3.473 13.334 3.553 1.00 0.00 O ATOM 790 CB LEU A 55 -0.316 13.440 4.261 1.00 0.00 C ATOM 791 CG LEU A 55 0.389 13.578 2.912 1.00 0.00 C ATOM 792 CD1 LEU A 55 0.136 14.954 2.318 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.882 13.330 3.069 1.00 0.00 C ATOM 0 H LEU A 55 0.087 11.034 3.704 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.864 12.406 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.758 14.402 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.433 13.218 5.022 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.016 12.831 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.645 15.035 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.935 15.097 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.516 15.718 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.372 13.432 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.300 14.057 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.045 12.323 3.454 1.00 0.00 H new ATOM 805 N ASP A 56 -2.346 12.003 2.133 1.00 0.00 N ATOM 806 CA ASP A 56 -3.343 12.083 1.078 1.00 0.00 C ATOM 807 C ASP A 56 -3.708 10.683 0.617 1.00 0.00 C ATOM 808 O ASP A 56 -2.929 10.025 -0.073 1.00 0.00 O ATOM 809 CB ASP A 56 -2.823 12.904 -0.106 1.00 0.00 C ATOM 810 CG ASP A 56 -3.885 13.149 -1.160 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.012 13.540 -0.798 1.00 0.00 O ATOM 812 OD2 ASP A 56 -3.585 12.984 -2.361 1.00 0.00 O ATOM 0 H ASP A 56 -1.539 11.423 1.903 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.228 12.580 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.450 13.862 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.979 12.385 -0.560 1.00 0.00 H new ATOM 817 N ILE A 57 -4.871 10.221 1.038 1.00 0.00 N ATOM 818 CA ILE A 57 -5.336 8.888 0.704 1.00 0.00 C ATOM 819 C ILE A 57 -6.788 8.956 0.251 1.00 0.00 C ATOM 820 O ILE A 57 -7.676 9.343 1.015 1.00 0.00 O ATOM 821 CB ILE A 57 -5.184 7.907 1.897 1.00 0.00 C ATOM 822 CG1 ILE A 57 -5.935 6.598 1.625 1.00 0.00 C ATOM 823 CG2 ILE A 57 -5.667 8.542 3.195 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.076 5.530 0.983 1.00 0.00 C ATOM 0 H ILE A 57 -5.517 10.756 1.618 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.717 8.505 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.124 7.678 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.334 6.216 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.787 6.805 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.549 7.832 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.080 9.437 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.719 8.812 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.673 4.633 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.698 5.893 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.238 5.294 1.639 1.00 0.00 H new ATOM 836 N LYS A 58 -7.006 8.691 -1.025 1.00 0.00 N ATOM 837 CA LYS A 58 -8.327 8.832 -1.616 1.00 0.00 C ATOM 838 C LYS A 58 -8.435 7.992 -2.881 1.00 0.00 C ATOM 839 O LYS A 58 -7.455 7.835 -3.607 1.00 0.00 O ATOM 840 CB LYS A 58 -8.599 10.303 -1.950 1.00 0.00 C ATOM 841 CG LYS A 58 -9.587 10.969 -1.006 1.00 0.00 C ATOM 842 CD LYS A 58 -10.760 11.565 -1.763 1.00 0.00 C ATOM 843 CE LYS A 58 -11.346 12.759 -1.033 1.00 0.00 C ATOM 844 NZ LYS A 58 -12.286 13.521 -1.890 1.00 0.00 N ATOM 0 H LYS A 58 -6.284 8.376 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.067 8.483 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.658 10.853 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.980 10.371 -2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.951 10.239 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.081 11.752 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.435 11.869 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.531 10.806 -1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.865 12.418 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.540 13.415 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.665 14.329 -1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.784 13.868 -2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.068 12.902 -2.183 1.00 0.00 H new ATOM 858 N PRO A 59 -9.631 7.470 -3.190 1.00 0.00 N ATOM 859 CA PRO A 59 -9.843 6.693 -4.404 1.00 0.00 C ATOM 860 C PRO A 59 -9.784 7.569 -5.650 1.00 0.00 C ATOM 861 O PRO A 59 -10.664 8.400 -5.884 1.00 0.00 O ATOM 862 CB PRO A 59 -11.242 6.104 -4.230 1.00 0.00 C ATOM 863 CG PRO A 59 -11.937 7.013 -3.272 1.00 0.00 C ATOM 864 CD PRO A 59 -10.869 7.631 -2.406 1.00 0.00 C ATOM 0 HA PRO A 59 -9.074 5.933 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.770 6.058 -5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.195 5.086 -3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.496 7.782 -3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.655 6.460 -2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.079 8.681 -2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.798 7.128 -1.441 1.00 0.00 H new ATOM 872 N GLU A 60 -8.764 7.352 -6.461 1.00 0.00 N ATOM 873 CA GLU A 60 -8.601 8.084 -7.705 1.00 0.00 C ATOM 874 C GLU A 60 -9.618 7.588 -8.727 1.00 0.00 C ATOM 875 O GLU A 60 -10.170 8.361 -9.510 1.00 0.00 O ATOM 876 CB GLU A 60 -7.174 7.901 -8.233 1.00 0.00 C ATOM 877 CG GLU A 60 -6.672 9.052 -9.092 1.00 0.00 C ATOM 878 CD GLU A 60 -7.316 10.380 -8.750 1.00 0.00 C ATOM 879 OE1 GLU A 60 -6.860 11.048 -7.800 1.00 0.00 O ATOM 880 OE2 GLU A 60 -8.281 10.766 -9.440 1.00 0.00 O ATOM 0 H GLU A 60 -8.030 6.668 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.771 9.146 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.499 7.774 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.130 6.981 -8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.592 9.139 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.862 8.823 -10.141 1.00 0.00 H new ATOM 887 N GLY A 61 -9.901 6.297 -8.669 1.00 0.00 N ATOM 888 CA GLY A 61 -10.893 5.711 -9.541 1.00 0.00 C ATOM 889 C GLY A 61 -10.987 4.216 -9.343 1.00 0.00 C ATOM 890 O GLY A 61 -10.314 3.660 -8.470 1.00 0.00 O ATOM 0 H GLY A 61 -9.457 5.640 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.864 6.167 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.640 5.927 -10.579 1.00 0.00 H new ATOM 894 N GLY A 62 -11.826 3.563 -10.131 1.00 0.00 N ATOM 895 CA GLY A 62 -11.997 2.131 -10.006 1.00 0.00 C ATOM 896 C GLY A 62 -13.294 1.773 -9.314 1.00 0.00 C ATOM 897 O GLY A 62 -14.277 2.506 -9.419 1.00 0.00 O ATOM 0 H GLY A 62 -12.393 4.000 -10.857 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.977 1.676 -10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.160 1.714 -9.446 1.00 0.00 H new ATOM 901 N ASP A 63 -13.305 0.639 -8.627 1.00 0.00 N ATOM 902 CA ASP A 63 -14.502 0.173 -7.937 1.00 0.00 C ATOM 903 C ASP A 63 -14.607 0.823 -6.563 1.00 0.00 C ATOM 904 O ASP A 63 -13.742 0.628 -5.704 1.00 0.00 O ATOM 905 CB ASP A 63 -14.489 -1.353 -7.808 1.00 0.00 C ATOM 906 CG ASP A 63 -15.417 -2.021 -8.803 1.00 0.00 C ATOM 907 OD1 ASP A 63 -15.096 -2.024 -10.011 1.00 0.00 O ATOM 908 OD2 ASP A 63 -16.468 -2.553 -8.384 1.00 0.00 O ATOM 0 H ASP A 63 -12.497 0.023 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.374 0.460 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.474 -1.720 -7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.782 -1.633 -6.796 1.00 0.00 H new ATOM 913 N PRO A 64 -15.618 1.688 -6.377 1.00 0.00 N ATOM 914 CA PRO A 64 -15.789 2.478 -5.151 1.00 0.00 C ATOM 915 C PRO A 64 -15.893 1.625 -3.890 1.00 0.00 C ATOM 916 O PRO A 64 -15.349 1.992 -2.848 1.00 0.00 O ATOM 917 CB PRO A 64 -17.098 3.235 -5.393 1.00 0.00 C ATOM 918 CG PRO A 64 -17.220 3.313 -6.873 1.00 0.00 C ATOM 919 CD PRO A 64 -16.621 2.040 -7.399 1.00 0.00 C ATOM 0 HA PRO A 64 -14.928 3.122 -4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.946 2.711 -4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.070 4.228 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.263 3.409 -7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.694 4.184 -7.264 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.372 1.258 -7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.164 2.185 -8.378 1.00 0.00 H new ATOM 927 N ALA A 65 -16.606 0.507 -3.976 1.00 0.00 N ATOM 928 CA ALA A 65 -16.796 -0.365 -2.822 1.00 0.00 C ATOM 929 C ALA A 65 -15.469 -0.936 -2.339 1.00 0.00 C ATOM 930 O ALA A 65 -15.163 -0.906 -1.146 1.00 0.00 O ATOM 931 CB ALA A 65 -17.764 -1.488 -3.158 1.00 0.00 C ATOM 0 H ALA A 65 -17.061 0.184 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.219 0.234 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.894 -2.129 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.727 -1.065 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.366 -2.076 -3.985 1.00 0.00 H new ATOM 937 N LEU A 66 -14.671 -1.429 -3.278 1.00 0.00 N ATOM 938 CA LEU A 66 -13.362 -1.984 -2.956 1.00 0.00 C ATOM 939 C LEU A 66 -12.434 -0.895 -2.427 1.00 0.00 C ATOM 940 O LEU A 66 -11.656 -1.121 -1.500 1.00 0.00 O ATOM 941 CB LEU A 66 -12.752 -2.651 -4.195 1.00 0.00 C ATOM 942 CG LEU A 66 -11.581 -3.602 -3.925 1.00 0.00 C ATOM 943 CD1 LEU A 66 -11.984 -4.686 -2.939 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.091 -4.224 -5.220 1.00 0.00 C ATOM 0 H LEU A 66 -14.908 -1.456 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.485 -2.737 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.536 -3.206 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.413 -1.870 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.768 -3.024 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.138 -5.350 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.288 -4.227 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.815 -5.260 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.259 -4.896 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.902 -4.785 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.759 -3.438 -5.898 1.00 0.00 H new ATOM 956 N CYS A 67 -12.527 0.286 -3.021 1.00 0.00 N ATOM 957 CA CYS A 67 -11.698 1.410 -2.617 1.00 0.00 C ATOM 958 C CYS A 67 -12.070 1.898 -1.221 1.00 0.00 C ATOM 959 O CYS A 67 -11.195 2.150 -0.395 1.00 0.00 O ATOM 960 CB CYS A 67 -11.825 2.550 -3.628 1.00 0.00 C ATOM 961 SG CYS A 67 -10.831 2.319 -5.137 1.00 0.00 S ATOM 0 H CYS A 67 -13.170 0.490 -3.786 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.662 1.072 -2.590 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -12.873 2.657 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.526 3.482 -3.148 1.00 0.00 H new ATOM 966 N GLN A 68 -13.367 2.024 -0.955 1.00 0.00 N ATOM 967 CA GLN A 68 -13.845 2.477 0.349 1.00 0.00 C ATOM 968 C GLN A 68 -13.427 1.504 1.448 1.00 0.00 C ATOM 969 O GLN A 68 -13.035 1.919 2.540 1.00 0.00 O ATOM 970 CB GLN A 68 -15.368 2.616 0.335 1.00 0.00 C ATOM 971 CG GLN A 68 -15.858 4.038 0.550 1.00 0.00 C ATOM 972 CD GLN A 68 -15.680 4.510 1.980 1.00 0.00 C ATOM 973 OE1 GLN A 68 -14.652 5.088 2.328 1.00 0.00 O ATOM 974 NE2 GLN A 68 -16.680 4.269 2.816 1.00 0.00 N ATOM 0 H GLN A 68 -14.107 1.819 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.397 3.449 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -15.748 2.252 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.789 1.976 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.319 4.709 -0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.912 4.099 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.516 3.786 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.614 4.566 3.789 1.00 0.00 H new ATOM 983 N ALA A 69 -13.479 0.216 1.133 1.00 0.00 N ATOM 984 CA ALA A 69 -13.072 -0.822 2.069 1.00 0.00 C ATOM 985 C ALA A 69 -11.605 -0.657 2.450 1.00 0.00 C ATOM 986 O ALA A 69 -11.244 -0.717 3.628 1.00 0.00 O ATOM 987 CB ALA A 69 -13.312 -2.194 1.459 1.00 0.00 C ATOM 0 H ALA A 69 -13.801 -0.135 0.231 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.671 -0.730 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.005 -2.965 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.372 -2.311 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.732 -2.291 0.541 1.00 0.00 H new ATOM 993 N ALA A 70 -10.773 -0.407 1.447 1.00 0.00 N ATOM 994 CA ALA A 70 -9.352 -0.189 1.663 1.00 0.00 C ATOM 995 C ALA A 70 -9.105 1.117 2.410 1.00 0.00 C ATOM 996 O ALA A 70 -8.203 1.199 3.238 1.00 0.00 O ATOM 997 CB ALA A 70 -8.612 -0.181 0.334 1.00 0.00 C ATOM 0 H ALA A 70 -11.062 -0.350 0.471 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.974 -1.008 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.549 -0.017 0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.753 -1.139 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.003 0.618 -0.295 1.00 0.00 H new ATOM 1003 N LEU A 71 -9.889 2.140 2.082 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.740 3.469 2.679 1.00 0.00 C ATOM 1005 C LEU A 71 -9.765 3.409 4.202 1.00 0.00 C ATOM 1006 O LEU A 71 -8.966 4.065 4.874 1.00 0.00 O ATOM 1007 CB LEU A 71 -10.855 4.397 2.198 1.00 0.00 C ATOM 1008 CG LEU A 71 -10.698 4.928 0.773 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -11.968 5.631 0.331 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -9.513 5.871 0.681 1.00 0.00 C ATOM 0 H LEU A 71 -10.643 2.075 1.398 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.772 3.857 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.803 3.864 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.917 5.246 2.879 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.516 4.083 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.842 6.004 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.801 4.929 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.174 6.466 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.418 6.238 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.665 6.713 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.603 5.340 0.962 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.726 2.678 4.743 1.00 0.00 N ATOM 1023 CA ALA A 72 -10.898 2.600 6.187 1.00 0.00 C ATOM 1024 C ALA A 72 -9.882 1.657 6.822 1.00 0.00 C ATOM 1025 O ALA A 72 -9.439 1.876 7.950 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.313 2.157 6.523 1.00 0.00 C ATOM 0 H ALA A 72 -11.399 2.130 4.206 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.728 3.595 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.430 2.102 7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.025 2.875 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.500 1.175 6.088 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.580 0.569 6.128 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.695 -0.454 6.665 1.00 0.00 C ATOM 1034 C ALA A 73 -7.232 -0.025 6.627 1.00 0.00 C ATOM 1035 O ALA A 73 -6.469 -0.346 7.534 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.883 -1.758 5.910 1.00 0.00 C ATOM 0 H ALA A 73 -9.935 0.372 5.192 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.962 -0.601 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.216 -2.516 6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.916 -2.091 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.653 -1.605 4.856 1.00 0.00 H new ATOM 1042 N ALA A 74 -6.831 0.640 5.549 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.435 1.035 5.365 1.00 0.00 C ATOM 1044 C ALA A 74 -4.980 2.018 6.435 1.00 0.00 C ATOM 1045 O ALA A 74 -3.815 2.023 6.827 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.224 1.631 3.980 1.00 0.00 C ATOM 0 H ALA A 74 -7.451 0.918 4.788 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.828 0.135 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.179 1.919 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.484 0.892 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.858 2.510 3.862 1.00 0.00 H new ATOM 1052 N LYS A 75 -5.898 2.847 6.908 1.00 0.00 N ATOM 1053 CA LYS A 75 -5.578 3.833 7.932 1.00 0.00 C ATOM 1054 C LYS A 75 -5.257 3.155 9.262 1.00 0.00 C ATOM 1055 O LYS A 75 -4.459 3.657 10.053 1.00 0.00 O ATOM 1056 CB LYS A 75 -6.739 4.816 8.105 1.00 0.00 C ATOM 1057 CG LYS A 75 -6.750 5.934 7.073 1.00 0.00 C ATOM 1058 CD LYS A 75 -7.090 7.273 7.705 1.00 0.00 C ATOM 1059 CE LYS A 75 -8.044 8.072 6.832 1.00 0.00 C ATOM 1060 NZ LYS A 75 -9.116 8.720 7.629 1.00 0.00 N ATOM 0 H LYS A 75 -6.870 2.858 6.600 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.695 4.384 7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.680 4.268 8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.688 5.254 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.774 5.995 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.476 5.704 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.540 7.111 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.176 7.844 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.486 8.834 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.493 7.414 6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.744 9.255 6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.666 7.992 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.690 9.368 8.322 1.00 0.00 H new ATOM 1074 N LEU A 76 -5.876 2.007 9.498 1.00 0.00 N ATOM 1075 CA LEU A 76 -5.659 1.258 10.726 1.00 0.00 C ATOM 1076 C LEU A 76 -4.648 0.137 10.508 1.00 0.00 C ATOM 1077 O LEU A 76 -4.301 -0.595 11.438 1.00 0.00 O ATOM 1078 CB LEU A 76 -6.979 0.674 11.220 1.00 0.00 C ATOM 1079 CG LEU A 76 -7.968 1.692 11.784 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -9.358 1.085 11.879 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -7.502 2.186 13.144 1.00 0.00 C ATOM 0 H LEU A 76 -6.535 1.573 8.852 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.261 1.941 11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.456 0.146 10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.765 -0.067 11.991 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.013 2.545 11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.051 1.823 12.283 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.690 0.780 10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.331 0.216 12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.217 2.911 13.533 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.429 1.344 13.832 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.525 2.658 13.044 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.194 0.001 9.272 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.239 -1.033 8.914 1.00 0.00 C ATOM 1095 C ALA A 77 -1.838 -0.637 9.353 1.00 0.00 C ATOM 1096 O ALA A 77 -1.503 0.549 9.413 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.276 -1.294 7.413 1.00 0.00 C ATOM 0 H ALA A 77 -4.475 0.599 8.495 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.514 -1.953 9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.555 -2.071 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.276 -1.619 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.024 -0.378 6.878 1.00 0.00 H new ATOM 1103 N LYS A 78 -1.029 -1.628 9.682 1.00 0.00 N ATOM 1104 CA LYS A 78 0.328 -1.386 10.143 1.00 0.00 C ATOM 1105 C LYS A 78 1.272 -1.137 8.968 1.00 0.00 C ATOM 1106 O LYS A 78 2.211 -1.900 8.740 1.00 0.00 O ATOM 1107 CB LYS A 78 0.822 -2.571 10.974 1.00 0.00 C ATOM 1108 CG LYS A 78 1.487 -2.170 12.279 1.00 0.00 C ATOM 1109 CD LYS A 78 2.081 -3.373 12.991 1.00 0.00 C ATOM 1110 CE LYS A 78 1.151 -3.897 14.070 1.00 0.00 C ATOM 1111 NZ LYS A 78 1.353 -3.194 15.363 1.00 0.00 N ATOM 0 H LYS A 78 -1.289 -2.613 9.638 1.00 0.00 H new ATOM 0 HA LYS A 78 0.320 -0.492 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.021 -3.226 11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.529 -3.150 10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.271 -1.439 12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.757 -1.686 12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.281 -4.163 12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.037 -3.098 13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.117 -3.776 13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.319 -4.965 14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.700 -3.580 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.333 -3.331 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.168 -2.178 15.238 1.00 0.00 H new ATOM 1125 N ILE A 79 1.059 -0.029 8.276 1.00 0.00 N ATOM 1126 CA ILE A 79 1.936 0.373 7.185 1.00 0.00 C ATOM 1127 C ILE A 79 3.206 1.003 7.746 1.00 0.00 C ATOM 1128 O ILE A 79 3.148 1.996 8.474 1.00 0.00 O ATOM 1129 CB ILE A 79 1.236 1.364 6.227 1.00 0.00 C ATOM 1130 CG1 ILE A 79 -0.071 0.760 5.711 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.150 1.724 5.063 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.994 1.769 5.066 1.00 0.00 C ATOM 0 H ILE A 79 0.284 0.611 8.450 1.00 0.00 H new ATOM 0 HA ILE A 79 2.191 -0.520 6.614 1.00 0.00 H new ATOM 0 HB ILE A 79 1.009 2.277 6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.161 -0.022 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.592 0.282 6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.638 2.422 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.060 2.187 5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.407 0.821 4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.900 1.268 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.257 2.538 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.492 2.230 4.215 1.00 0.00 H new ATOM 1144 N PRO A 80 4.362 0.372 7.492 1.00 0.00 N ATOM 1145 CA PRO A 80 5.647 0.807 8.045 1.00 0.00 C ATOM 1146 C PRO A 80 6.103 2.150 7.490 1.00 0.00 C ATOM 1147 O PRO A 80 5.834 2.485 6.333 1.00 0.00 O ATOM 1148 CB PRO A 80 6.627 -0.295 7.618 1.00 0.00 C ATOM 1149 CG PRO A 80 5.776 -1.453 7.223 1.00 0.00 C ATOM 1150 CD PRO A 80 4.489 -0.870 6.720 1.00 0.00 C ATOM 0 HA PRO A 80 5.583 0.948 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.251 0.035 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.298 -0.561 8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.262 -2.049 6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.599 -2.114 8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.526 -0.676 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.647 -1.541 6.894 1.00 0.00 H new ATOM 1158 N LYS A 81 6.869 2.872 8.294 1.00 0.00 N ATOM 1159 CA LYS A 81 7.461 4.120 7.878 1.00 0.00 C ATOM 1160 C LYS A 81 8.613 3.841 6.921 1.00 0.00 C ATOM 1161 O LYS A 81 9.351 2.877 7.115 1.00 0.00 O ATOM 1162 CB LYS A 81 7.954 4.886 9.105 1.00 0.00 C ATOM 1163 CG LYS A 81 7.726 4.167 10.424 1.00 0.00 C ATOM 1164 CD LYS A 81 8.983 4.144 11.273 1.00 0.00 C ATOM 1165 CE LYS A 81 8.736 3.454 12.602 1.00 0.00 C ATOM 1166 NZ LYS A 81 8.500 4.428 13.699 1.00 0.00 N ATOM 0 H LYS A 81 7.094 2.603 9.252 1.00 0.00 H new ATOM 0 HA LYS A 81 6.718 4.728 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.020 5.083 8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.453 5.853 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.924 4.660 10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.399 3.146 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.779 3.629 10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.325 5.164 11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.874 2.793 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.593 2.828 12.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.336 3.915 14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.332 5.043 13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.667 5.008 13.475 1.00 0.00 H new ATOM 1180 N PRO A 82 8.740 4.636 5.844 1.00 0.00 N ATOM 1181 CA PRO A 82 9.759 4.427 4.809 1.00 0.00 C ATOM 1182 C PRO A 82 11.178 4.397 5.372 1.00 0.00 C ATOM 1183 O PRO A 82 11.719 5.428 5.788 1.00 0.00 O ATOM 1184 CB PRO A 82 9.585 5.626 3.865 1.00 0.00 C ATOM 1185 CG PRO A 82 8.704 6.586 4.593 1.00 0.00 C ATOM 1186 CD PRO A 82 7.859 5.760 5.515 1.00 0.00 C ATOM 0 HA PRO A 82 9.629 3.462 4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.547 6.080 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.135 5.319 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.296 7.311 5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.084 7.150 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.566 6.318 6.404 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.941 5.426 5.032 1.00 0.00 H new ATOM 1194 N PRO A 83 11.790 3.200 5.424 1.00 0.00 N ATOM 1195 CA PRO A 83 13.132 3.025 5.976 1.00 0.00 C ATOM 1196 C PRO A 83 14.209 3.488 5.004 1.00 0.00 C ATOM 1197 O PRO A 83 15.296 3.897 5.408 1.00 0.00 O ATOM 1198 CB PRO A 83 13.223 1.517 6.209 1.00 0.00 C ATOM 1199 CG PRO A 83 12.301 0.916 5.205 1.00 0.00 C ATOM 1200 CD PRO A 83 11.198 1.917 4.983 1.00 0.00 C ATOM 0 HA PRO A 83 13.290 3.614 6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.243 1.157 6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.925 1.256 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.826 0.705 4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.899 -0.031 5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.897 1.955 3.936 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.309 1.667 5.562 1.00 0.00 H new ATOM 1208 N SER A 84 13.870 3.467 3.725 1.00 0.00 N ATOM 1209 CA SER A 84 14.767 3.928 2.682 1.00 0.00 C ATOM 1210 C SER A 84 14.184 5.167 2.014 1.00 0.00 C ATOM 1211 O SER A 84 12.986 5.217 1.719 1.00 0.00 O ATOM 1212 CB SER A 84 14.985 2.816 1.651 1.00 0.00 C ATOM 1213 OG SER A 84 14.387 1.601 2.085 1.00 0.00 O ATOM 0 H SER A 84 12.969 3.131 3.384 1.00 0.00 H new ATOM 0 HA SER A 84 15.730 4.186 3.122 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.560 3.114 0.693 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.053 2.665 1.493 1.00 0.00 H new ATOM 0 HG SER A 84 14.536 0.904 1.412 1.00 0.00 H new ATOM 1219 N GLN A 85 15.023 6.171 1.798 1.00 0.00 N ATOM 1220 CA GLN A 85 14.583 7.419 1.189 1.00 0.00 C ATOM 1221 C GLN A 85 14.162 7.200 -0.260 1.00 0.00 C ATOM 1222 O GLN A 85 13.295 7.902 -0.773 1.00 0.00 O ATOM 1223 CB GLN A 85 15.690 8.469 1.259 1.00 0.00 C ATOM 1224 CG GLN A 85 16.019 8.914 2.676 1.00 0.00 C ATOM 1225 CD GLN A 85 14.900 9.706 3.324 1.00 0.00 C ATOM 1226 OE1 GLN A 85 13.940 10.111 2.664 1.00 0.00 O ATOM 1227 NE2 GLN A 85 15.012 9.934 4.622 1.00 0.00 N ATOM 0 H GLN A 85 16.014 6.145 2.036 1.00 0.00 H new ATOM 0 HA GLN A 85 13.720 7.779 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.591 8.067 0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.392 9.339 0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.235 8.036 3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.924 9.521 2.659 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.821 9.582 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.289 10.461 5.111 1.00 0.00 H new ATOM 1236 N ALA A 86 14.750 6.192 -0.899 1.00 0.00 N ATOM 1237 CA ALA A 86 14.400 5.846 -2.272 1.00 0.00 C ATOM 1238 C ALA A 86 12.944 5.396 -2.362 1.00 0.00 C ATOM 1239 O ALA A 86 12.232 5.732 -3.306 1.00 0.00 O ATOM 1240 CB ALA A 86 15.325 4.758 -2.798 1.00 0.00 C ATOM 0 H ALA A 86 15.472 5.601 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 86 14.522 6.735 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.050 4.511 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.355 5.113 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.233 3.869 -2.174 1.00 0.00 H new ATOM 1246 N VAL A 87 12.492 4.676 -1.341 1.00 0.00 N ATOM 1247 CA VAL A 87 11.109 4.228 -1.276 1.00 0.00 C ATOM 1248 C VAL A 87 10.182 5.409 -0.983 1.00 0.00 C ATOM 1249 O VAL A 87 9.075 5.489 -1.516 1.00 0.00 O ATOM 1250 CB VAL A 87 10.937 3.097 -0.222 1.00 0.00 C ATOM 1251 CG1 VAL A 87 9.919 3.457 0.858 1.00 0.00 C ATOM 1252 CG2 VAL A 87 10.544 1.798 -0.907 1.00 0.00 C ATOM 0 H VAL A 87 13.065 4.391 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 87 10.834 3.813 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 87 11.899 2.969 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.836 2.635 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.245 4.356 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.948 3.637 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.426 1.014 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.602 1.937 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.321 1.511 -1.615 1.00 0.00 H new ATOM 1262 N TYR A 88 10.676 6.359 -0.194 1.00 0.00 N ATOM 1263 CA TYR A 88 9.928 7.574 0.110 1.00 0.00 C ATOM 1264 C TYR A 88 9.823 8.460 -1.126 1.00 0.00 C ATOM 1265 O TYR A 88 8.836 9.166 -1.315 1.00 0.00 O ATOM 1266 CB TYR A 88 10.599 8.339 1.258 1.00 0.00 C ATOM 1267 CG TYR A 88 9.987 9.694 1.543 1.00 0.00 C ATOM 1268 CD1 TYR A 88 8.637 9.822 1.846 1.00 0.00 C ATOM 1269 CD2 TYR A 88 10.764 10.845 1.511 1.00 0.00 C ATOM 1270 CE1 TYR A 88 8.079 11.060 2.105 1.00 0.00 C ATOM 1271 CE2 TYR A 88 10.214 12.085 1.771 1.00 0.00 C ATOM 1272 CZ TYR A 88 8.872 12.188 2.067 1.00 0.00 C ATOM 1273 OH TYR A 88 8.320 13.424 2.328 1.00 0.00 O ATOM 0 H TYR A 88 11.594 6.310 0.247 1.00 0.00 H new ATOM 0 HA TYR A 88 8.922 7.292 0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.548 7.733 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 88 11.655 8.472 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.014 8.941 1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.816 10.769 1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.027 11.144 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 88 10.833 12.970 1.742 1.00 0.00 H new ATOM 0 HH TYR A 88 9.014 14.113 2.261 1.00 0.00 H new ATOM 1283 N GLU A 89 10.841 8.408 -1.975 1.00 0.00 N ATOM 1284 CA GLU A 89 10.854 9.194 -3.199 1.00 0.00 C ATOM 1285 C GLU A 89 9.754 8.721 -4.147 1.00 0.00 C ATOM 1286 O GLU A 89 9.113 9.526 -4.825 1.00 0.00 O ATOM 1287 CB GLU A 89 12.242 9.123 -3.857 1.00 0.00 C ATOM 1288 CG GLU A 89 12.264 8.493 -5.244 1.00 0.00 C ATOM 1289 CD GLU A 89 12.781 9.438 -6.306 1.00 0.00 C ATOM 1290 OE1 GLU A 89 13.379 10.474 -5.947 1.00 0.00 O ATOM 1291 OE2 GLU A 89 12.589 9.154 -7.506 1.00 0.00 O ATOM 0 H GLU A 89 11.669 7.829 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 89 10.652 10.238 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.647 10.133 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.908 8.556 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.888 7.600 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.257 8.172 -5.509 1.00 0.00 H new ATOM 1298 N VAL A 90 9.504 7.419 -4.145 1.00 0.00 N ATOM 1299 CA VAL A 90 8.448 6.846 -4.962 1.00 0.00 C ATOM 1300 C VAL A 90 7.090 7.044 -4.298 1.00 0.00 C ATOM 1301 O VAL A 90 6.112 7.397 -4.955 1.00 0.00 O ATOM 1302 CB VAL A 90 8.683 5.338 -5.204 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.605 4.755 -6.107 1.00 0.00 C ATOM 1304 CG2 VAL A 90 10.062 5.099 -5.800 1.00 0.00 C ATOM 0 H VAL A 90 10.020 6.740 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 90 8.462 7.362 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 90 8.629 4.831 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.795 3.693 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.629 4.885 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.618 5.269 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.208 4.031 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.144 5.626 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.824 5.469 -5.114 1.00 0.00 H new ATOM 1314 N PHE A 91 7.025 6.763 -3.002 1.00 0.00 N ATOM 1315 CA PHE A 91 5.770 6.844 -2.256 1.00 0.00 C ATOM 1316 C PHE A 91 5.390 8.286 -1.921 1.00 0.00 C ATOM 1317 O PHE A 91 4.378 8.527 -1.264 1.00 0.00 O ATOM 1318 CB PHE A 91 5.864 6.010 -0.975 1.00 0.00 C ATOM 1319 CG PHE A 91 5.813 4.526 -1.222 1.00 0.00 C ATOM 1320 CD1 PHE A 91 5.110 4.012 -2.302 1.00 0.00 C ATOM 1321 CD2 PHE A 91 6.467 3.646 -0.376 1.00 0.00 C ATOM 1322 CE1 PHE A 91 5.067 2.650 -2.536 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.425 2.283 -0.603 1.00 0.00 C ATOM 1324 CZ PHE A 91 5.723 1.784 -1.684 1.00 0.00 C ATOM 0 H PHE A 91 7.828 6.476 -2.442 1.00 0.00 H new ATOM 0 HA PHE A 91 4.984 6.442 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.793 6.253 -0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.047 6.288 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.590 4.684 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.016 4.029 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.521 2.264 -3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.941 1.608 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.688 0.719 -1.862 1.00 0.00 H new ATOM 1334 N LYS A 92 6.164 9.242 -2.432 1.00 0.00 N ATOM 1335 CA LYS A 92 5.862 10.661 -2.245 1.00 0.00 C ATOM 1336 C LYS A 92 4.539 11.008 -2.916 1.00 0.00 C ATOM 1337 O LYS A 92 3.835 11.925 -2.500 1.00 0.00 O ATOM 1338 CB LYS A 92 6.981 11.525 -2.828 1.00 0.00 C ATOM 1339 CG LYS A 92 7.500 12.584 -1.866 1.00 0.00 C ATOM 1340 CD LYS A 92 8.802 13.195 -2.358 1.00 0.00 C ATOM 1341 CE LYS A 92 9.991 12.306 -2.026 1.00 0.00 C ATOM 1342 NZ LYS A 92 11.284 12.970 -2.336 1.00 0.00 N ATOM 0 H LYS A 92 7.005 9.060 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 92 5.783 10.861 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.808 10.881 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.617 12.014 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.751 13.367 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.654 12.139 -0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.750 13.348 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.941 14.176 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.963 12.042 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.917 11.376 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.069 12.331 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.322 13.199 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.367 13.845 -1.780 1.00 0.00 H new ATOM 1356 N ASN A 93 4.180 10.195 -3.898 1.00 0.00 N ATOM 1357 CA ASN A 93 2.906 10.304 -4.590 1.00 0.00 C ATOM 1358 C ASN A 93 2.734 9.077 -5.468 1.00 0.00 C ATOM 1359 O ASN A 93 2.994 9.120 -6.671 1.00 0.00 O ATOM 1360 CB ASN A 93 2.831 11.577 -5.442 1.00 0.00 C ATOM 1361 CG ASN A 93 1.398 12.008 -5.705 1.00 0.00 C ATOM 1362 OD1 ASN A 93 0.462 11.510 -5.080 1.00 0.00 O ATOM 1363 ND2 ASN A 93 1.217 12.939 -6.628 1.00 0.00 N ATOM 0 H ASN A 93 4.769 9.436 -4.239 1.00 0.00 H new ATOM 0 HA ASN A 93 2.105 10.363 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.364 12.382 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.338 11.407 -6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.276 13.268 -6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.019 13.327 -7.125 1.00 0.00 H new ATOM 1370 N ALA A 94 2.420 7.955 -4.840 1.00 0.00 N ATOM 1371 CA ALA A 94 2.354 6.685 -5.544 1.00 0.00 C ATOM 1372 C ALA A 94 0.982 6.046 -5.410 1.00 0.00 C ATOM 1373 O ALA A 94 0.764 5.198 -4.547 1.00 0.00 O ATOM 1374 CB ALA A 94 3.428 5.735 -5.032 1.00 0.00 C ATOM 0 H ALA A 94 2.207 7.898 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 94 2.531 6.884 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.364 4.789 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.411 6.177 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.279 5.557 -3.967 1.00 0.00 H new ATOM 1380 N PRO A 95 0.042 6.426 -6.279 1.00 0.00 N ATOM 1381 CA PRO A 95 -1.303 5.866 -6.280 1.00 0.00 C ATOM 1382 C PRO A 95 -1.294 4.441 -6.824 1.00 0.00 C ATOM 1383 O PRO A 95 -1.040 4.211 -8.011 1.00 0.00 O ATOM 1384 CB PRO A 95 -2.084 6.811 -7.212 1.00 0.00 C ATOM 1385 CG PRO A 95 -1.175 7.979 -7.424 1.00 0.00 C ATOM 1386 CD PRO A 95 0.205 7.410 -7.345 1.00 0.00 C ATOM 0 HA PRO A 95 -1.740 5.800 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.327 6.323 -8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.027 7.121 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.354 8.449 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.331 8.744 -6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.516 6.952 -8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.949 8.167 -7.097 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.418 3.485 -5.917 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.268 2.082 -6.261 1.00 0.00 C ATOM 1396 C LEU A 96 -2.609 1.423 -6.545 1.00 0.00 C ATOM 1397 O LEU A 96 -3.659 1.877 -6.083 1.00 0.00 O ATOM 1398 CB LEU A 96 -0.546 1.334 -5.137 1.00 0.00 C ATOM 1399 CG LEU A 96 0.854 1.855 -4.800 1.00 0.00 C ATOM 1400 CD1 LEU A 96 1.324 1.294 -3.469 1.00 0.00 C ATOM 1401 CD2 LEU A 96 1.840 1.499 -5.903 1.00 0.00 C ATOM 0 H LEU A 96 -1.623 3.657 -4.933 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.672 2.031 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.160 1.382 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.468 0.283 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 96 0.804 2.941 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.321 1.675 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.634 1.598 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.355 0.206 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.828 1.878 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.885 0.416 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.514 1.948 -6.841 1.00 0.00 H new ATOM 1413 N ASP A 97 -2.548 0.319 -7.268 1.00 0.00 N ATOM 1414 CA ASP A 97 -3.725 -0.469 -7.590 1.00 0.00 C ATOM 1415 C ASP A 97 -4.107 -1.354 -6.409 1.00 0.00 C ATOM 1416 O ASP A 97 -3.241 -1.846 -5.681 1.00 0.00 O ATOM 1417 CB ASP A 97 -3.453 -1.344 -8.817 1.00 0.00 C ATOM 1418 CG ASP A 97 -2.432 -2.429 -8.531 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -1.222 -2.118 -8.492 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -2.829 -3.592 -8.322 1.00 0.00 O ATOM 0 H ASP A 97 -1.680 -0.057 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.548 0.211 -7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.385 -1.802 -9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.097 -0.719 -9.636 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.395 -1.580 -6.240 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.881 -2.433 -5.172 1.00 0.00 C ATOM 1427 C PHE A 98 -6.848 -3.474 -5.719 1.00 0.00 C ATOM 1428 O PHE A 98 -7.809 -3.144 -6.416 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.560 -1.605 -4.079 1.00 0.00 C ATOM 1430 CG PHE A 98 -6.946 -2.411 -2.870 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -5.975 -2.915 -2.018 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -8.278 -2.672 -2.592 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -6.327 -3.660 -0.909 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -8.635 -3.417 -1.484 1.00 0.00 C ATOM 1435 CZ PHE A 98 -7.659 -3.913 -0.643 1.00 0.00 C ATOM 0 H PHE A 98 -6.126 -1.184 -6.830 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.025 -2.946 -4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.889 -0.803 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.452 -1.134 -4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.932 -2.723 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.046 -2.289 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.562 -4.044 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -9.677 -3.611 -1.276 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.936 -4.498 0.222 1.00 0.00 H new ATOM 1445 N LYS A 99 -6.616 -4.718 -5.346 1.00 0.00 N ATOM 1446 CA LYS A 99 -7.486 -5.823 -5.722 1.00 0.00 C ATOM 1447 C LYS A 99 -7.795 -6.635 -4.472 1.00 0.00 C ATOM 1448 O LYS A 99 -7.147 -6.432 -3.446 1.00 0.00 O ATOM 1449 CB LYS A 99 -6.821 -6.707 -6.792 1.00 0.00 C ATOM 1450 CG LYS A 99 -5.401 -6.294 -7.156 1.00 0.00 C ATOM 1451 CD LYS A 99 -5.335 -5.699 -8.551 1.00 0.00 C ATOM 1452 CE LYS A 99 -4.410 -6.495 -9.456 1.00 0.00 C ATOM 1453 NZ LYS A 99 -3.044 -5.917 -9.497 1.00 0.00 N ATOM 0 H LYS A 99 -5.819 -4.994 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.409 -5.434 -6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.807 -7.737 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.434 -6.689 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.036 -5.566 -6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.743 -7.161 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.335 -5.674 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.987 -4.668 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.358 -7.526 -9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.823 -6.522 -10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.618 -6.098 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.096 -4.891 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.459 -6.356 -8.757 1.00 0.00 H new ATOM 1467 N PRO A 100 -8.802 -7.525 -4.505 1.00 0.00 N ATOM 1468 CA PRO A 100 -9.193 -8.319 -3.327 1.00 0.00 C ATOM 1469 C PRO A 100 -8.070 -9.213 -2.804 1.00 0.00 C ATOM 1470 O PRO A 100 -7.909 -10.351 -3.253 1.00 0.00 O ATOM 1471 CB PRO A 100 -10.343 -9.183 -3.846 1.00 0.00 C ATOM 1472 CG PRO A 100 -10.166 -9.193 -5.319 1.00 0.00 C ATOM 1473 CD PRO A 100 -9.685 -7.818 -5.652 1.00 0.00 C ATOM 0 HA PRO A 100 -9.455 -7.675 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.299 -10.191 -3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.310 -8.766 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.445 -9.950 -5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.102 -9.419 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.148 -7.790 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.506 -7.105 -5.730 1.00 0.00 H new