USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 761 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0 K(o=0.27,f=-1.3) USER MOD Set 1.3: A 147 ASN : amide:sc= 0.27 K(o=0.27,f=-3.2!) USER MOD Set 2.1: A 80 CYS SG : rot -84:sc= 0.263 USER MOD Set 2.2: A 82 THR OG1 : rot 137:sc= 1.12 USER MOD Set 3.1: A 24 THR OG1 : rot -74:sc= 0.95 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= 0.826 USER MOD Single : A 19 THR OG1 : rot -31:sc= 0.562 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00149) USER MOD Single : A 25 ASN : amide:sc= 0.436 X(o=0.44,f=0.11) USER MOD Single : A 38 MET CE :methyl 145:sc=-0.00431 (180deg=-0.0285) USER MOD Single : A 41 THR OG1 : rot -159:sc= 2.11 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 59 TYR OH : rot 153:sc= 0.333 USER MOD Single : A 61 CYS SG : rot -170:sc= -0.0863 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0706 K(o=-0.071,f=-1.4) USER MOD Single : A 73 SER OG : rot 33:sc= 0.00335 USER MOD Single : A 76 SER OG : rot 126:sc= 0.75 USER MOD Single : A 81 GLN : amide:sc= 0.434 K(o=0.43,f=-1) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -160:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00539 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 105 MET CE :methyl 156:sc= 0 (180deg=-0.176) USER MOD Single : A 140 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.017) USER MOD Single : A 143 CYS SG : rot 180:sc= -0.0511 USER MOD Single : A 145 ASN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.394 -0.149 -11.426 1.00 0.00 N ATOM 234 CA THR A 19 6.753 1.173 -11.254 1.00 0.00 C ATOM 235 C THR A 19 5.222 1.152 -11.137 1.00 0.00 C ATOM 236 O THR A 19 4.610 2.204 -10.958 1.00 0.00 O ATOM 237 CB THR A 19 7.290 2.130 -12.329 1.00 0.00 C ATOM 238 OG1 THR A 19 6.831 3.439 -12.108 1.00 0.00 O ATOM 239 CG2 THR A 19 6.906 1.689 -13.738 1.00 0.00 C ATOM 0 HA THR A 19 7.037 1.551 -10.272 1.00 0.00 H new ATOM 0 HB THR A 19 8.377 2.107 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.944 3.409 -11.692 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.308 2.397 -14.463 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.315 0.698 -13.933 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.820 1.657 -13.826 1.00 0.00 H new ATOM 247 N LYS A 20 4.603 -0.031 -11.171 1.00 0.00 N ATOM 248 CA LYS A 20 3.184 -0.253 -10.861 1.00 0.00 C ATOM 249 C LYS A 20 3.040 -1.312 -9.757 1.00 0.00 C ATOM 250 O LYS A 20 3.724 -2.336 -9.782 1.00 0.00 O ATOM 251 CB LYS A 20 2.412 -0.691 -12.118 1.00 0.00 C ATOM 252 CG LYS A 20 2.357 0.394 -13.205 1.00 0.00 C ATOM 253 CD LYS A 20 1.335 0.065 -14.307 1.00 0.00 C ATOM 254 CE LYS A 20 1.637 -1.266 -15.015 1.00 0.00 C ATOM 255 NZ LYS A 20 0.640 -1.562 -16.079 1.00 0.00 N ATOM 0 H LYS A 20 5.090 -0.891 -11.423 1.00 0.00 H new ATOM 0 HA LYS A 20 2.761 0.687 -10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.879 -1.585 -12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.395 -0.964 -11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.101 1.350 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.345 0.509 -13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.337 0.022 -13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.327 0.870 -15.042 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.635 -1.228 -15.452 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.640 -2.075 -14.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.876 -2.467 -16.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.309 -1.623 -15.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.655 -0.803 -16.790 1.00 0.00 H new ATOM 269 N PHE A 21 2.137 -1.079 -8.801 1.00 0.00 N ATOM 270 CA PHE A 21 1.998 -1.888 -7.588 1.00 0.00 C ATOM 271 C PHE A 21 0.521 -2.107 -7.252 1.00 0.00 C ATOM 272 O PHE A 21 -0.231 -1.157 -7.049 1.00 0.00 O ATOM 273 CB PHE A 21 2.739 -1.193 -6.432 1.00 0.00 C ATOM 274 CG PHE A 21 4.236 -1.039 -6.645 1.00 0.00 C ATOM 275 CD1 PHE A 21 5.117 -2.050 -6.215 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.750 0.110 -7.280 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.503 -1.908 -6.413 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.134 0.244 -7.490 1.00 0.00 C ATOM 279 CZ PHE A 21 7.012 -0.763 -7.048 1.00 0.00 C ATOM 0 H PHE A 21 1.470 -0.309 -8.850 1.00 0.00 H new ATOM 0 HA PHE A 21 2.441 -2.870 -7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.303 -0.206 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.572 -1.760 -5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.729 -2.935 -5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.078 0.890 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.177 -2.681 -6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.523 1.119 -7.990 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.076 -0.656 -7.197 1.00 0.00 H new ATOM 289 N LYS A 22 0.098 -3.371 -7.168 1.00 0.00 N ATOM 290 CA LYS A 22 -1.243 -3.741 -6.695 1.00 0.00 C ATOM 291 C LYS A 22 -1.388 -3.362 -5.206 1.00 0.00 C ATOM 292 O LYS A 22 -0.535 -3.721 -4.390 1.00 0.00 O ATOM 293 CB LYS A 22 -1.469 -5.250 -6.923 1.00 0.00 C ATOM 294 CG LYS A 22 -1.927 -5.648 -8.339 1.00 0.00 C ATOM 295 CD LYS A 22 -1.004 -5.184 -9.481 1.00 0.00 C ATOM 296 CE LYS A 22 -1.312 -5.845 -10.837 1.00 0.00 C ATOM 297 NZ LYS A 22 -2.729 -5.686 -11.267 1.00 0.00 N ATOM 0 H LYS A 22 0.676 -4.171 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.004 -3.197 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.541 -5.776 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.214 -5.600 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.016 -6.733 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.923 -5.240 -8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.088 -4.102 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.030 -5.398 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.659 -5.416 -11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.076 -6.907 -10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.864 -6.139 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.356 -6.134 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.958 -4.674 -11.340 1.00 0.00 H new ATOM 311 N VAL A 23 -2.454 -2.639 -4.854 1.00 0.00 N ATOM 312 CA VAL A 23 -2.697 -2.104 -3.498 1.00 0.00 C ATOM 313 C VAL A 23 -4.165 -2.256 -3.089 1.00 0.00 C ATOM 314 O VAL A 23 -5.052 -2.240 -3.944 1.00 0.00 O ATOM 315 CB VAL A 23 -2.276 -0.620 -3.360 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.752 -0.427 -3.425 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.968 0.313 -4.368 1.00 0.00 C ATOM 0 H VAL A 23 -3.194 -2.400 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.074 -2.697 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.617 -0.334 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.515 0.632 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.280 -0.984 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.380 -0.792 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.625 1.336 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.723 -0.001 -5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.048 0.267 -4.225 1.00 0.00 H new ATOM 327 N THR A 24 -4.411 -2.355 -1.777 1.00 0.00 N ATOM 328 CA THR A 24 -5.750 -2.404 -1.167 1.00 0.00 C ATOM 329 C THR A 24 -5.805 -1.390 -0.036 1.00 0.00 C ATOM 330 O THR A 24 -5.078 -1.529 0.942 1.00 0.00 O ATOM 331 CB THR A 24 -6.045 -3.814 -0.641 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.956 -4.734 -1.704 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.445 -3.918 -0.033 1.00 0.00 C ATOM 0 H THR A 24 -3.662 -2.405 -1.087 1.00 0.00 H new ATOM 0 HA THR A 24 -6.506 -2.161 -1.914 1.00 0.00 H new ATOM 0 HB THR A 24 -5.313 -4.034 0.136 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.740 -4.639 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.611 -4.933 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.533 -3.219 0.799 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.190 -3.675 -0.791 1.00 0.00 H new ATOM 341 N ASN A 25 -6.648 -0.365 -0.157 1.00 0.00 N ATOM 342 CA ASN A 25 -6.832 0.652 0.883 1.00 0.00 C ATOM 343 C ASN A 25 -7.553 0.059 2.107 1.00 0.00 C ATOM 344 O ASN A 25 -8.477 -0.747 1.946 1.00 0.00 O ATOM 345 CB ASN A 25 -7.600 1.850 0.302 1.00 0.00 C ATOM 346 CG ASN A 25 -7.629 3.034 1.266 1.00 0.00 C ATOM 347 OD1 ASN A 25 -8.655 3.380 1.831 1.00 0.00 O ATOM 348 ND2 ASN A 25 -6.504 3.685 1.496 1.00 0.00 N ATOM 0 H ASN A 25 -7.227 -0.214 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.856 0.999 1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.137 2.157 -0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.621 1.547 0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.494 4.473 2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.645 3.400 1.027 1.00 0.00 H new ATOM 355 N VAL A 26 -7.145 0.457 3.319 1.00 0.00 N ATOM 356 CA VAL A 26 -7.683 -0.095 4.577 1.00 0.00 C ATOM 357 C VAL A 26 -8.043 0.985 5.602 1.00 0.00 C ATOM 358 O VAL A 26 -7.481 2.080 5.593 1.00 0.00 O ATOM 359 CB VAL A 26 -6.743 -1.145 5.214 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.596 -2.389 4.325 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.342 -0.604 5.554 1.00 0.00 C ATOM 0 H VAL A 26 -6.431 1.172 3.459 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.607 -0.597 4.291 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.228 -1.414 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.928 -3.103 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.573 -2.848 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.182 -2.099 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.742 -1.399 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.858 -0.249 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.432 0.220 6.262 1.00 0.00 H new ATOM 371 N ASP A 27 -8.994 0.655 6.483 1.00 0.00 N ATOM 372 CA ASP A 27 -9.435 1.502 7.597 1.00 0.00 C ATOM 373 C ASP A 27 -8.526 1.374 8.842 1.00 0.00 C ATOM 374 O ASP A 27 -7.501 0.691 8.821 1.00 0.00 O ATOM 375 CB ASP A 27 -10.900 1.171 7.934 1.00 0.00 C ATOM 376 CG ASP A 27 -11.028 -0.044 8.861 1.00 0.00 C ATOM 377 OD1 ASP A 27 -10.509 -1.127 8.509 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.592 0.109 9.966 1.00 0.00 O ATOM 0 H ASP A 27 -9.492 -0.234 6.439 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.359 2.543 7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.365 2.036 8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.448 0.980 7.011 1.00 0.00 H new ATOM 383 N ASP A 28 -8.922 2.000 9.957 1.00 0.00 N ATOM 384 CA ASP A 28 -8.182 1.959 11.225 1.00 0.00 C ATOM 385 C ASP A 28 -8.167 0.576 11.914 1.00 0.00 C ATOM 386 O ASP A 28 -7.269 0.307 12.714 1.00 0.00 O ATOM 387 CB ASP A 28 -8.705 3.057 12.162 1.00 0.00 C ATOM 388 CG ASP A 28 -10.108 2.777 12.725 1.00 0.00 C ATOM 389 OD1 ASP A 28 -11.102 3.153 12.063 1.00 0.00 O ATOM 390 OD2 ASP A 28 -10.205 2.222 13.846 1.00 0.00 O ATOM 0 H ASP A 28 -9.776 2.556 10.005 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.136 2.149 10.983 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.008 3.176 12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.723 4.004 11.622 1.00 0.00 H new ATOM 395 N GLU A 29 -9.100 -0.317 11.563 1.00 0.00 N ATOM 396 CA GLU A 29 -9.101 -1.733 11.966 1.00 0.00 C ATOM 397 C GLU A 29 -8.421 -2.665 10.935 1.00 0.00 C ATOM 398 O GLU A 29 -8.324 -3.874 11.165 1.00 0.00 O ATOM 399 CB GLU A 29 -10.531 -2.214 12.274 1.00 0.00 C ATOM 400 CG GLU A 29 -11.188 -1.439 13.425 1.00 0.00 C ATOM 401 CD GLU A 29 -12.488 -2.122 13.879 1.00 0.00 C ATOM 402 OE1 GLU A 29 -12.428 -3.022 14.752 1.00 0.00 O ATOM 403 OE2 GLU A 29 -13.582 -1.760 13.384 1.00 0.00 O ATOM 0 H GLU A 29 -9.897 -0.071 10.976 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.501 -1.791 12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.144 -2.113 11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.506 -3.275 12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.496 -1.372 14.265 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.401 -0.419 13.106 1.00 0.00 H new ATOM 410 N GLY A 30 -7.926 -2.130 9.809 1.00 0.00 N ATOM 411 CA GLY A 30 -7.154 -2.870 8.800 1.00 0.00 C ATOM 412 C GLY A 30 -7.992 -3.696 7.816 1.00 0.00 C ATOM 413 O GLY A 30 -7.446 -4.581 7.159 1.00 0.00 O ATOM 0 H GLY A 30 -8.055 -1.147 9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.552 -2.160 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.461 -3.538 9.313 1.00 0.00 H new ATOM 417 N VAL A 31 -9.294 -3.431 7.708 1.00 0.00 N ATOM 418 CA VAL A 31 -10.253 -4.160 6.860 1.00 0.00 C ATOM 419 C VAL A 31 -10.155 -3.663 5.413 1.00 0.00 C ATOM 420 O VAL A 31 -10.088 -2.461 5.172 1.00 0.00 O ATOM 421 CB VAL A 31 -11.708 -4.003 7.375 1.00 0.00 C ATOM 422 CG1 VAL A 31 -12.684 -4.900 6.592 1.00 0.00 C ATOM 423 CG2 VAL A 31 -11.819 -4.358 8.869 1.00 0.00 C ATOM 0 H VAL A 31 -9.733 -2.672 8.229 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.997 -5.219 6.902 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.973 -2.956 7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.694 -4.764 6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.661 -4.628 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.389 -5.943 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.852 -4.237 9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.509 -5.392 9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.175 -3.697 9.449 1.00 0.00 H new ATOM 433 N GLU A 32 -10.155 -4.597 4.459 1.00 0.00 N ATOM 434 CA GLU A 32 -10.074 -4.333 3.016 1.00 0.00 C ATOM 435 C GLU A 32 -11.307 -3.556 2.518 1.00 0.00 C ATOM 436 O GLU A 32 -12.428 -4.072 2.558 1.00 0.00 O ATOM 437 CB GLU A 32 -9.944 -5.668 2.259 1.00 0.00 C ATOM 438 CG GLU A 32 -8.671 -6.451 2.616 1.00 0.00 C ATOM 439 CD GLU A 32 -8.657 -7.818 1.915 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.358 -7.883 0.699 1.00 0.00 O ATOM 441 OE2 GLU A 32 -8.944 -8.840 2.582 1.00 0.00 O ATOM 0 H GLU A 32 -10.213 -5.592 4.675 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.196 -3.716 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.815 -6.286 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.952 -5.471 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.792 -5.878 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.615 -6.590 3.696 1.00 0.00 H new ATOM 448 N LEU A 33 -11.105 -2.321 2.039 1.00 0.00 N ATOM 449 CA LEU A 33 -12.186 -1.431 1.580 1.00 0.00 C ATOM 450 C LEU A 33 -12.367 -1.476 0.059 1.00 0.00 C ATOM 451 O LEU A 33 -13.476 -1.678 -0.437 1.00 0.00 O ATOM 452 CB LEU A 33 -11.886 0.013 2.025 1.00 0.00 C ATOM 453 CG LEU A 33 -11.728 0.210 3.542 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.402 1.683 3.795 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.986 -0.206 4.315 1.00 0.00 C ATOM 0 H LEU A 33 -10.177 -1.905 1.957 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.116 -1.780 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.971 0.345 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.690 0.659 1.672 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.922 -0.430 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.285 1.851 4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.476 1.944 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.213 2.305 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.826 -0.049 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.833 0.395 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.194 -1.260 4.131 1.00 0.00 H new ATOM 467 N GLY A 34 -11.264 -1.287 -0.668 1.00 0.00 N ATOM 468 CA GLY A 34 -11.203 -1.310 -2.132 1.00 0.00 C ATOM 469 C GLY A 34 -9.772 -1.402 -2.654 1.00 0.00 C ATOM 470 O GLY A 34 -8.828 -1.006 -1.972 1.00 0.00 O ATOM 0 H GLY A 34 -10.356 -1.107 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.777 -2.159 -2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.673 -0.409 -2.527 1.00 0.00 H new ATOM 474 N SER A 35 -9.613 -1.906 -3.874 1.00 0.00 N ATOM 475 CA SER A 35 -8.305 -2.232 -4.462 1.00 0.00 C ATOM 476 C SER A 35 -8.072 -1.551 -5.819 1.00 0.00 C ATOM 477 O SER A 35 -9.011 -1.225 -6.554 1.00 0.00 O ATOM 478 CB SER A 35 -8.146 -3.753 -4.604 1.00 0.00 C ATOM 479 OG SER A 35 -8.247 -4.409 -3.350 1.00 0.00 O ATOM 0 H SER A 35 -10.397 -2.105 -4.496 1.00 0.00 H new ATOM 0 HA SER A 35 -7.551 -1.845 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.911 -4.138 -5.279 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.180 -3.978 -5.056 1.00 0.00 H new ATOM 0 HG SER A 35 -8.143 -5.375 -3.477 1.00 0.00 H new ATOM 485 N GLY A 36 -6.792 -1.335 -6.141 1.00 0.00 N ATOM 486 CA GLY A 36 -6.326 -0.647 -7.343 1.00 0.00 C ATOM 487 C GLY A 36 -4.850 -0.882 -7.649 1.00 0.00 C ATOM 488 O GLY A 36 -4.173 -1.668 -6.979 1.00 0.00 O ATOM 0 H GLY A 36 -6.025 -1.648 -5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.922 -0.977 -8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.499 0.423 -7.229 1.00 0.00 H new ATOM 492 N VAL A 37 -4.363 -0.170 -8.661 1.00 0.00 N ATOM 493 CA VAL A 37 -2.961 -0.178 -9.101 1.00 0.00 C ATOM 494 C VAL A 37 -2.360 1.206 -8.860 1.00 0.00 C ATOM 495 O VAL A 37 -2.742 2.189 -9.495 1.00 0.00 O ATOM 496 CB VAL A 37 -2.828 -0.592 -10.585 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.349 -0.648 -11.009 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.459 -1.974 -10.825 1.00 0.00 C ATOM 0 H VAL A 37 -4.949 0.451 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.413 -0.921 -8.521 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.350 0.158 -11.179 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.282 -0.941 -12.057 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.895 0.334 -10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.821 -1.377 -10.394 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.354 -2.245 -11.876 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.955 -2.717 -10.207 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.517 -1.942 -10.563 1.00 0.00 H new ATOM 508 N MET A 38 -1.407 1.270 -7.931 1.00 0.00 N ATOM 509 CA MET A 38 -0.648 2.470 -7.587 1.00 0.00 C ATOM 510 C MET A 38 0.532 2.639 -8.550 1.00 0.00 C ATOM 511 O MET A 38 1.197 1.667 -8.908 1.00 0.00 O ATOM 512 CB MET A 38 -0.208 2.362 -6.121 1.00 0.00 C ATOM 513 CG MET A 38 0.439 3.648 -5.599 1.00 0.00 C ATOM 514 SD MET A 38 0.741 3.639 -3.813 1.00 0.00 S ATOM 515 CE MET A 38 -0.920 4.031 -3.201 1.00 0.00 C ATOM 0 H MET A 38 -1.133 0.458 -7.378 1.00 0.00 H new ATOM 0 HA MET A 38 -1.263 3.364 -7.692 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.073 2.120 -5.504 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.498 1.538 -6.018 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.385 3.805 -6.118 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.203 4.493 -5.846 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.099 3.498 -2.268 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.000 5.104 -3.027 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.661 3.727 -3.940 1.00 0.00 H new ATOM 525 N GLU A 39 0.777 3.876 -8.972 1.00 0.00 N ATOM 526 CA GLU A 39 1.760 4.251 -9.988 1.00 0.00 C ATOM 527 C GLU A 39 2.428 5.576 -9.598 1.00 0.00 C ATOM 528 O GLU A 39 1.768 6.529 -9.180 1.00 0.00 O ATOM 529 CB GLU A 39 1.052 4.334 -11.352 1.00 0.00 C ATOM 530 CG GLU A 39 1.954 4.840 -12.486 1.00 0.00 C ATOM 531 CD GLU A 39 1.227 4.773 -13.836 1.00 0.00 C ATOM 532 OE1 GLU A 39 0.254 5.536 -14.034 1.00 0.00 O ATOM 533 OE2 GLU A 39 1.623 3.961 -14.705 1.00 0.00 O ATOM 0 H GLU A 39 0.274 4.682 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 39 2.549 3.502 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.672 3.347 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.189 4.994 -11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.259 5.867 -12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.863 4.240 -12.528 1.00 0.00 H new ATOM 540 N LEU A 40 3.754 5.630 -9.704 1.00 0.00 N ATOM 541 CA LEU A 40 4.577 6.771 -9.299 1.00 0.00 C ATOM 542 C LEU A 40 5.317 7.309 -10.535 1.00 0.00 C ATOM 543 O LEU A 40 6.030 6.554 -11.202 1.00 0.00 O ATOM 544 CB LEU A 40 5.554 6.313 -8.197 1.00 0.00 C ATOM 545 CG LEU A 40 4.994 6.272 -6.759 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.927 5.202 -6.484 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.153 6.040 -5.788 1.00 0.00 C ATOM 0 H LEU A 40 4.303 4.859 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 40 3.965 7.576 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.914 5.316 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.418 6.977 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 40 4.497 7.232 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.607 5.266 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.071 5.366 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.345 4.214 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.772 6.009 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.640 5.094 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.874 6.852 -5.881 1.00 0.00 H new ATOM 559 N THR A 41 5.126 8.595 -10.860 1.00 0.00 N ATOM 560 CA THR A 41 5.645 9.235 -12.086 1.00 0.00 C ATOM 561 C THR A 41 6.768 10.216 -11.754 1.00 0.00 C ATOM 562 O THR A 41 7.065 10.474 -10.592 1.00 0.00 O ATOM 563 CB THR A 41 4.509 9.928 -12.862 1.00 0.00 C ATOM 564 OG1 THR A 41 4.169 11.117 -12.188 1.00 0.00 O ATOM 565 CG2 THR A 41 3.265 9.048 -13.027 1.00 0.00 C ATOM 0 H THR A 41 4.596 9.236 -10.269 1.00 0.00 H new ATOM 0 HA THR A 41 6.062 8.458 -12.727 1.00 0.00 H new ATOM 0 HB THR A 41 4.872 10.135 -13.869 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.267 11.395 -12.451 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.503 9.595 -13.582 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.530 8.142 -13.572 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.876 8.780 -12.045 1.00 0.00 H new ATOM 573 N GLN A 42 7.368 10.842 -12.768 1.00 0.00 N ATOM 574 CA GLN A 42 8.317 11.943 -12.553 1.00 0.00 C ATOM 575 C GLN A 42 7.620 13.239 -12.067 1.00 0.00 C ATOM 576 O GLN A 42 8.282 14.261 -11.885 1.00 0.00 O ATOM 577 CB GLN A 42 9.129 12.165 -13.842 1.00 0.00 C ATOM 578 CG GLN A 42 10.537 12.728 -13.577 1.00 0.00 C ATOM 579 CD GLN A 42 11.313 12.959 -14.876 1.00 0.00 C ATOM 580 OE1 GLN A 42 11.762 12.031 -15.540 1.00 0.00 O ATOM 581 NE2 GLN A 42 11.503 14.194 -15.297 1.00 0.00 N ATOM 0 H GLN A 42 7.215 10.607 -13.749 1.00 0.00 H new ATOM 0 HA GLN A 42 8.999 11.666 -11.749 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.217 11.219 -14.377 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.586 12.850 -14.493 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.455 13.668 -13.031 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.091 12.037 -12.941 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.137 14.979 -14.758 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.016 14.365 -16.162 1.00 0.00 H new ATOM 590 N SER A 43 6.298 13.228 -11.851 1.00 0.00 N ATOM 591 CA SER A 43 5.510 14.408 -11.465 1.00 0.00 C ATOM 592 C SER A 43 4.653 14.220 -10.195 1.00 0.00 C ATOM 593 O SER A 43 4.557 15.164 -9.404 1.00 0.00 O ATOM 594 CB SER A 43 4.615 14.841 -12.636 1.00 0.00 C ATOM 595 OG SER A 43 5.373 15.269 -13.764 1.00 0.00 O ATOM 0 H SER A 43 5.735 12.383 -11.941 1.00 0.00 H new ATOM 0 HA SER A 43 6.236 15.183 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.973 14.010 -12.927 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.961 15.651 -12.311 1.00 0.00 H new ATOM 0 HG SER A 43 4.765 15.534 -14.486 1.00 0.00 H new ATOM 601 N GLU A 44 4.040 13.049 -9.955 1.00 0.00 N ATOM 602 CA GLU A 44 3.122 12.825 -8.837 1.00 0.00 C ATOM 603 C GLU A 44 2.894 11.336 -8.506 1.00 0.00 C ATOM 604 O GLU A 44 3.272 10.427 -9.252 1.00 0.00 O ATOM 605 CB GLU A 44 1.775 13.524 -9.118 1.00 0.00 C ATOM 606 CG GLU A 44 0.956 12.918 -10.266 1.00 0.00 C ATOM 607 CD GLU A 44 1.412 13.345 -11.669 1.00 0.00 C ATOM 608 OE1 GLU A 44 1.310 14.552 -11.993 1.00 0.00 O ATOM 609 OE2 GLU A 44 1.823 12.472 -12.468 1.00 0.00 O ATOM 0 H GLU A 44 4.173 12.225 -10.541 1.00 0.00 H new ATOM 0 HA GLU A 44 3.596 13.258 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.173 13.498 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.967 14.573 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.006 11.831 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.089 13.198 -10.137 1.00 0.00 H new ATOM 616 N LEU A 45 2.215 11.093 -7.381 1.00 0.00 N ATOM 617 CA LEU A 45 1.684 9.788 -6.998 1.00 0.00 C ATOM 618 C LEU A 45 0.307 9.637 -7.664 1.00 0.00 C ATOM 619 O LEU A 45 -0.526 10.534 -7.543 1.00 0.00 O ATOM 620 CB LEU A 45 1.601 9.716 -5.454 1.00 0.00 C ATOM 621 CG LEU A 45 2.025 8.361 -4.861 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.954 8.392 -3.331 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.167 7.202 -5.379 1.00 0.00 C ATOM 0 H LEU A 45 2.016 11.821 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 45 2.324 8.970 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.231 10.498 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.578 9.930 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 45 3.053 8.193 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.258 7.424 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.621 9.166 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.932 8.608 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.507 6.269 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.124 7.374 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.259 7.138 -6.463 1.00 0.00 H new ATOM 635 N VAL A 46 0.065 8.528 -8.360 1.00 0.00 N ATOM 636 CA VAL A 46 -1.182 8.214 -9.076 1.00 0.00 C ATOM 637 C VAL A 46 -1.735 6.885 -8.551 1.00 0.00 C ATOM 638 O VAL A 46 -0.981 5.986 -8.179 1.00 0.00 O ATOM 639 CB VAL A 46 -0.949 8.126 -10.609 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.271 7.964 -11.382 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.226 9.364 -11.166 1.00 0.00 C ATOM 0 H VAL A 46 0.760 7.787 -8.448 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.899 9.015 -8.898 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.322 7.246 -10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.063 7.906 -12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.771 7.051 -11.060 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.916 8.820 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.088 9.252 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.823 10.254 -10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.746 9.465 -10.684 1.00 0.00 H new ATOM 651 N LEU A 47 -3.061 6.745 -8.534 1.00 0.00 N ATOM 652 CA LEU A 47 -3.752 5.522 -8.141 1.00 0.00 C ATOM 653 C LEU A 47 -4.958 5.295 -9.056 1.00 0.00 C ATOM 654 O LEU A 47 -5.907 6.083 -9.080 1.00 0.00 O ATOM 655 CB LEU A 47 -4.127 5.601 -6.647 1.00 0.00 C ATOM 656 CG LEU A 47 -3.987 4.274 -5.876 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.535 4.442 -4.456 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.706 3.101 -6.550 1.00 0.00 C ATOM 0 H LEU A 47 -3.697 7.497 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.101 4.656 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.498 6.352 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.157 5.947 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.923 4.036 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.435 3.502 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.974 5.221 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.587 4.723 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.567 2.198 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.770 3.323 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.293 2.946 -7.547 1.00 0.00 H new ATOM 670 N HIS A 48 -4.889 4.199 -9.807 1.00 0.00 N ATOM 671 CA HIS A 48 -5.920 3.710 -10.718 1.00 0.00 C ATOM 672 C HIS A 48 -6.827 2.704 -9.987 1.00 0.00 C ATOM 673 O HIS A 48 -6.339 1.694 -9.468 1.00 0.00 O ATOM 674 CB HIS A 48 -5.217 3.060 -11.921 1.00 0.00 C ATOM 675 CG HIS A 48 -4.285 3.991 -12.654 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.679 5.029 -13.500 1.00 0.00 N ATOM 677 CD2 HIS A 48 -2.922 3.954 -12.595 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.536 5.591 -13.932 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.466 4.966 -13.409 1.00 0.00 N ATOM 0 H HIS A 48 -4.067 3.595 -9.796 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.552 4.527 -11.066 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.653 2.193 -11.576 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.972 2.693 -12.617 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.319 3.265 -12.022 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.484 6.432 -14.608 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.489 5.201 -13.585 1.00 0.00 H new ATOM 687 N LEU A 49 -8.133 2.979 -9.932 1.00 0.00 N ATOM 688 CA LEU A 49 -9.129 2.208 -9.180 1.00 0.00 C ATOM 689 C LEU A 49 -10.154 1.606 -10.153 1.00 0.00 C ATOM 690 O LEU A 49 -10.713 2.305 -10.997 1.00 0.00 O ATOM 691 CB LEU A 49 -9.790 3.139 -8.140 1.00 0.00 C ATOM 692 CG LEU A 49 -8.858 3.650 -7.020 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.536 4.781 -6.240 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.491 2.535 -6.031 1.00 0.00 C ATOM 0 H LEU A 49 -8.541 3.772 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.661 1.380 -8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.208 4.000 -8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.624 2.608 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.949 4.009 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.868 5.132 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.763 5.604 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.460 4.412 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.834 2.935 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.398 2.145 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.980 1.732 -6.562 1.00 0.00 H new ATOM 786 N ALA A 54 -9.808 7.899 -10.954 1.00 0.00 N ATOM 787 CA ALA A 54 -8.409 7.864 -10.519 1.00 0.00 C ATOM 788 C ALA A 54 -8.128 8.931 -9.442 1.00 0.00 C ATOM 789 O ALA A 54 -8.774 9.983 -9.417 1.00 0.00 O ATOM 790 CB ALA A 54 -7.507 8.043 -11.749 1.00 0.00 C ATOM 0 HA ALA A 54 -8.195 6.900 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.462 8.019 -11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.695 7.237 -12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.724 9.000 -12.223 1.00 0.00 H new ATOM 796 N VAL A 55 -7.141 8.682 -8.577 1.00 0.00 N ATOM 797 CA VAL A 55 -6.788 9.573 -7.452 1.00 0.00 C ATOM 798 C VAL A 55 -5.300 9.913 -7.496 1.00 0.00 C ATOM 799 O VAL A 55 -4.470 9.021 -7.641 1.00 0.00 O ATOM 800 CB VAL A 55 -7.180 8.973 -6.080 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.926 9.981 -4.948 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.663 8.562 -6.044 1.00 0.00 C ATOM 0 H VAL A 55 -6.554 7.849 -8.633 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.365 10.491 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.559 8.089 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.209 9.536 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.869 10.244 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.520 10.879 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.901 8.145 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.287 9.436 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.852 7.813 -6.813 1.00 0.00 H new ATOM 812 N ARG A 56 -4.977 11.209 -7.395 1.00 0.00 N ATOM 813 CA ARG A 56 -3.621 11.746 -7.519 1.00 0.00 C ATOM 814 C ARG A 56 -3.217 12.592 -6.306 1.00 0.00 C ATOM 815 O ARG A 56 -4.031 13.348 -5.768 1.00 0.00 O ATOM 816 CB ARG A 56 -3.541 12.610 -8.785 1.00 0.00 C ATOM 817 CG ARG A 56 -3.658 11.790 -10.078 1.00 0.00 C ATOM 818 CD ARG A 56 -3.742 12.747 -11.268 1.00 0.00 C ATOM 819 NE ARG A 56 -3.525 12.052 -12.549 1.00 0.00 N ATOM 820 CZ ARG A 56 -3.583 12.604 -13.757 1.00 0.00 C ATOM 821 NH1 ARG A 56 -3.876 13.877 -13.934 1.00 0.00 N ATOM 822 NH2 ARG A 56 -3.342 11.871 -14.823 1.00 0.00 N ATOM 0 H ARG A 56 -5.675 11.932 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.933 10.903 -7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.336 13.355 -8.761 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.595 13.152 -8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.797 11.131 -10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.543 11.155 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.720 13.229 -11.278 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.999 13.536 -11.153 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.311 11.056 -12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.067 14.473 -13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.911 14.266 -14.876 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.112 10.883 -14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.386 12.291 -15.751 1.00 0.00 H new ATOM 836 N TRP A 57 -1.933 12.528 -5.946 1.00 0.00 N ATOM 837 CA TRP A 57 -1.301 13.344 -4.904 1.00 0.00 C ATOM 838 C TRP A 57 0.050 13.899 -5.401 1.00 0.00 C ATOM 839 O TRP A 57 0.972 13.108 -5.630 1.00 0.00 O ATOM 840 CB TRP A 57 -1.111 12.504 -3.634 1.00 0.00 C ATOM 841 CG TRP A 57 -2.366 11.962 -3.030 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.205 12.648 -2.224 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.956 10.634 -3.188 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.248 11.829 -1.840 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.131 10.566 -2.380 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.612 9.478 -3.922 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.900 9.397 -2.271 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.392 8.309 -3.842 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.530 8.265 -3.019 1.00 0.00 C ATOM 0 H TRP A 57 -1.279 11.882 -6.389 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.948 14.190 -4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.450 11.669 -3.867 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.603 13.115 -2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.079 13.678 -1.926 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.012 12.123 -1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.737 9.491 -4.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.763 9.367 -1.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.114 7.439 -4.418 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.120 7.362 -2.961 1.00 0.00 H new ATOM 860 N PRO A 58 0.197 15.229 -5.578 1.00 0.00 N ATOM 861 CA PRO A 58 1.464 15.831 -5.976 1.00 0.00 C ATOM 862 C PRO A 58 2.481 15.701 -4.847 1.00 0.00 C ATOM 863 O PRO A 58 2.150 15.880 -3.675 1.00 0.00 O ATOM 864 CB PRO A 58 1.159 17.292 -6.309 1.00 0.00 C ATOM 865 CG PRO A 58 -0.119 17.602 -5.535 1.00 0.00 C ATOM 866 CD PRO A 58 -0.828 16.253 -5.412 1.00 0.00 C ATOM 0 HA PRO A 58 1.901 15.333 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.976 17.947 -6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.018 17.434 -7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.103 18.025 -4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.737 18.328 -6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.317 16.159 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.604 16.152 -6.171 1.00 0.00 H new ATOM 874 N TYR A 59 3.733 15.405 -5.201 1.00 0.00 N ATOM 875 CA TYR A 59 4.804 15.145 -4.227 1.00 0.00 C ATOM 876 C TYR A 59 5.116 16.353 -3.326 1.00 0.00 C ATOM 877 O TYR A 59 5.482 16.186 -2.163 1.00 0.00 O ATOM 878 CB TYR A 59 6.067 14.692 -4.974 1.00 0.00 C ATOM 879 CG TYR A 59 6.003 13.381 -5.743 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.098 12.357 -5.392 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.914 13.166 -6.799 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.100 11.137 -6.088 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.917 11.947 -7.502 1.00 0.00 C ATOM 884 CZ TYR A 59 6.004 10.931 -7.150 1.00 0.00 C ATOM 885 OH TYR A 59 5.975 9.756 -7.830 1.00 0.00 O ATOM 0 H TYR A 59 4.037 15.338 -6.172 1.00 0.00 H new ATOM 0 HA TYR A 59 4.453 14.357 -3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.342 15.479 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.876 14.616 -4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.399 12.512 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.614 13.943 -7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.408 10.356 -5.809 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.617 11.790 -8.309 1.00 0.00 H new ATOM 0 HH TYR A 59 6.297 9.899 -8.745 1.00 0.00 H new ATOM 895 N LEU A 60 4.882 17.570 -3.828 1.00 0.00 N ATOM 896 CA LEU A 60 4.982 18.820 -3.068 1.00 0.00 C ATOM 897 C LEU A 60 3.868 19.004 -2.019 1.00 0.00 C ATOM 898 O LEU A 60 4.052 19.785 -1.084 1.00 0.00 O ATOM 899 CB LEU A 60 5.132 20.029 -4.011 1.00 0.00 C ATOM 900 CG LEU A 60 4.064 20.113 -5.118 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.641 21.569 -5.347 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.594 19.517 -6.431 1.00 0.00 C ATOM 0 H LEU A 60 4.611 17.716 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 60 5.895 18.752 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.095 20.943 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.117 19.991 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 60 3.198 19.537 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.886 21.609 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.227 21.977 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.508 22.157 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.824 19.587 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.477 20.070 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.858 18.471 -6.275 1.00 0.00 H new ATOM 914 N CYS A 61 2.760 18.252 -2.113 1.00 0.00 N ATOM 915 CA CYS A 61 1.723 18.173 -1.068 1.00 0.00 C ATOM 916 C CYS A 61 1.817 16.910 -0.185 1.00 0.00 C ATOM 917 O CYS A 61 0.945 16.706 0.662 1.00 0.00 O ATOM 918 CB CYS A 61 0.334 18.329 -1.706 1.00 0.00 C ATOM 919 SG CYS A 61 0.185 19.981 -2.453 1.00 0.00 S ATOM 0 H CYS A 61 2.555 17.673 -2.928 1.00 0.00 H new ATOM 0 HA CYS A 61 1.897 19.000 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.183 17.561 -2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.441 18.189 -0.952 1.00 0.00 H new ATOM 0 HG CYS A 61 -1.049 20.188 -2.806 1.00 0.00 H new ATOM 925 N LEU A 62 2.850 16.072 -0.340 1.00 0.00 N ATOM 926 CA LEU A 62 3.147 14.979 0.594 1.00 0.00 C ATOM 927 C LEU A 62 4.056 15.519 1.702 1.00 0.00 C ATOM 928 O LEU A 62 5.250 15.734 1.484 1.00 0.00 O ATOM 929 CB LEU A 62 3.795 13.786 -0.136 1.00 0.00 C ATOM 930 CG LEU A 62 2.913 13.104 -1.197 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.705 11.944 -1.817 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.596 12.575 -0.609 1.00 0.00 C ATOM 0 H LEU A 62 3.505 16.133 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 62 2.221 14.610 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.711 14.130 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.084 13.041 0.606 1.00 0.00 H new ATOM 0 HG LEU A 62 2.651 13.846 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.094 11.449 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.613 12.330 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.971 11.228 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.009 12.103 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.813 11.844 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.030 13.403 -0.182 1.00 0.00 H new ATOM 944 N ARG A 63 3.494 15.749 2.893 1.00 0.00 N ATOM 945 CA ARG A 63 4.248 16.300 4.029 1.00 0.00 C ATOM 946 C ARG A 63 5.169 15.241 4.658 1.00 0.00 C ATOM 947 O ARG A 63 6.302 15.550 5.038 1.00 0.00 O ATOM 948 CB ARG A 63 3.270 16.905 5.054 1.00 0.00 C ATOM 949 CG ARG A 63 3.939 17.802 6.112 1.00 0.00 C ATOM 950 CD ARG A 63 4.540 19.083 5.514 1.00 0.00 C ATOM 951 NE ARG A 63 5.068 19.972 6.565 1.00 0.00 N ATOM 952 CZ ARG A 63 5.452 21.235 6.410 1.00 0.00 C ATOM 953 NH1 ARG A 63 5.405 21.845 5.243 1.00 0.00 N ATOM 954 NH2 ARG A 63 5.896 21.913 7.446 1.00 0.00 N ATOM 0 H ARG A 63 2.513 15.561 3.098 1.00 0.00 H new ATOM 0 HA ARG A 63 4.900 17.097 3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.519 17.488 4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.745 16.095 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.204 18.071 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.725 17.238 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.340 18.822 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.779 19.610 4.939 1.00 0.00 H new ATOM 0 HE ARG A 63 5.146 19.579 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.065 21.347 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.708 22.816 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.944 21.469 8.363 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.192 22.882 7.332 1.00 0.00 H new ATOM 968 N ARG A 64 4.712 13.983 4.693 1.00 0.00 N ATOM 969 CA ARG A 64 5.461 12.813 5.168 1.00 0.00 C ATOM 970 C ARG A 64 4.875 11.505 4.630 1.00 0.00 C ATOM 971 O ARG A 64 3.716 11.444 4.216 1.00 0.00 O ATOM 972 CB ARG A 64 5.582 12.802 6.706 1.00 0.00 C ATOM 973 CG ARG A 64 4.244 12.710 7.457 1.00 0.00 C ATOM 974 CD ARG A 64 4.474 12.620 8.971 1.00 0.00 C ATOM 975 NE ARG A 64 3.199 12.687 9.699 1.00 0.00 N ATOM 976 CZ ARG A 64 2.997 12.578 11.002 1.00 0.00 C ATOM 977 NH1 ARG A 64 3.966 12.329 11.859 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.771 12.738 11.438 1.00 0.00 N ATOM 0 H ARG A 64 3.772 13.743 4.378 1.00 0.00 H new ATOM 0 HA ARG A 64 6.472 12.893 4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.207 11.959 7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.099 13.708 7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.633 13.583 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.690 11.835 7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.986 11.688 9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.125 13.433 9.293 1.00 0.00 H new ATOM 0 HE ARG A 64 2.366 12.836 9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.923 12.211 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.759 12.254 12.855 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.018 12.938 10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.570 12.662 12.435 1.00 0.00 H new ATOM 992 N TYR A 65 5.689 10.457 4.644 1.00 0.00 N ATOM 993 CA TYR A 65 5.406 9.143 4.062 1.00 0.00 C ATOM 994 C TYR A 65 6.277 8.064 4.716 1.00 0.00 C ATOM 995 O TYR A 65 7.362 8.354 5.220 1.00 0.00 O ATOM 996 CB TYR A 65 5.595 9.192 2.537 1.00 0.00 C ATOM 997 CG TYR A 65 6.955 9.689 2.074 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.045 8.800 1.993 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.129 11.040 1.713 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.307 9.253 1.564 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.389 11.501 1.286 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.483 10.612 1.214 1.00 0.00 C ATOM 1003 OH TYR A 65 10.701 11.071 0.812 1.00 0.00 O ATOM 0 H TYR A 65 6.610 10.498 5.081 1.00 0.00 H new ATOM 0 HA TYR A 65 4.367 8.878 4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.434 8.192 2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.825 9.836 2.111 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.911 7.763 2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.294 11.723 1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.138 8.565 1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.519 12.538 1.013 1.00 0.00 H new ATOM 0 HH TYR A 65 10.640 12.028 0.610 1.00 0.00 H new ATOM 1013 N GLY A 66 5.787 6.826 4.753 1.00 0.00 N ATOM 1014 CA GLY A 66 6.392 5.740 5.518 1.00 0.00 C ATOM 1015 C GLY A 66 5.841 4.370 5.169 1.00 0.00 C ATOM 1016 O GLY A 66 4.846 4.227 4.458 1.00 0.00 O ATOM 0 H GLY A 66 4.948 6.547 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.469 5.743 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.236 5.925 6.581 1.00 0.00 H new ATOM 1020 N TYR A 67 6.501 3.342 5.688 1.00 0.00 N ATOM 1021 CA TYR A 67 6.218 1.960 5.309 1.00 0.00 C ATOM 1022 C TYR A 67 6.540 0.963 6.430 1.00 0.00 C ATOM 1023 O TYR A 67 7.527 1.105 7.155 1.00 0.00 O ATOM 1024 CB TYR A 67 6.966 1.632 4.003 1.00 0.00 C ATOM 1025 CG TYR A 67 8.412 1.216 4.191 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.388 2.182 4.498 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.772 -0.141 4.115 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.719 1.799 4.745 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.097 -0.536 4.379 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.076 0.433 4.693 1.00 0.00 C ATOM 1031 OH TYR A 67 12.361 0.050 4.938 1.00 0.00 O ATOM 0 H TYR A 67 7.244 3.440 6.380 1.00 0.00 H new ATOM 0 HA TYR A 67 5.146 1.859 5.138 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.436 0.832 3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.935 2.506 3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.113 3.225 4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.031 -0.882 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.465 2.546 4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.366 -1.581 4.341 1.00 0.00 H new ATOM 0 HH TYR A 67 12.432 -0.924 4.862 1.00 0.00 H new ATOM 1041 N ASP A 68 5.695 -0.054 6.537 1.00 0.00 N ATOM 1042 CA ASP A 68 5.895 -1.258 7.353 1.00 0.00 C ATOM 1043 C ASP A 68 6.003 -2.496 6.433 1.00 0.00 C ATOM 1044 O ASP A 68 5.858 -2.398 5.213 1.00 0.00 O ATOM 1045 CB ASP A 68 4.754 -1.404 8.379 1.00 0.00 C ATOM 1046 CG ASP A 68 4.763 -0.392 9.543 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.755 0.351 9.742 1.00 0.00 O ATOM 1048 OD2 ASP A 68 3.768 -0.387 10.305 1.00 0.00 O ATOM 0 H ASP A 68 4.807 -0.068 6.035 1.00 0.00 H new ATOM 0 HA ASP A 68 6.826 -1.171 7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.804 -1.315 7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.793 -2.410 8.797 1.00 0.00 H new ATOM 1053 N SER A 69 6.261 -3.676 7.002 1.00 0.00 N ATOM 1054 CA SER A 69 6.606 -4.913 6.271 1.00 0.00 C ATOM 1055 C SER A 69 5.546 -5.436 5.275 1.00 0.00 C ATOM 1056 O SER A 69 5.847 -6.311 4.460 1.00 0.00 O ATOM 1057 CB SER A 69 6.930 -6.022 7.286 1.00 0.00 C ATOM 1058 OG SER A 69 7.858 -5.567 8.266 1.00 0.00 O ATOM 0 H SER A 69 6.237 -3.808 8.013 1.00 0.00 H new ATOM 0 HA SER A 69 7.463 -4.644 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.013 -6.351 7.775 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.341 -6.887 6.765 1.00 0.00 H new ATOM 0 HG SER A 69 8.045 -6.291 8.900 1.00 0.00 H new ATOM 1064 N ASN A 70 4.322 -4.898 5.310 1.00 0.00 N ATOM 1065 CA ASN A 70 3.219 -5.217 4.392 1.00 0.00 C ATOM 1066 C ASN A 70 2.215 -4.054 4.194 1.00 0.00 C ATOM 1067 O ASN A 70 1.093 -4.270 3.725 1.00 0.00 O ATOM 1068 CB ASN A 70 2.525 -6.516 4.845 1.00 0.00 C ATOM 1069 CG ASN A 70 1.771 -6.417 6.173 1.00 0.00 C ATOM 1070 OD1 ASN A 70 1.707 -5.383 6.830 1.00 0.00 O ATOM 1071 ND2 ASN A 70 1.170 -7.510 6.610 1.00 0.00 N ATOM 0 H ASN A 70 4.060 -4.200 6.006 1.00 0.00 H new ATOM 0 HA ASN A 70 3.654 -5.373 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.825 -6.826 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.276 -7.301 4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.655 -7.492 7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.221 -8.372 6.067 1.00 0.00 H new ATOM 1078 N LEU A 71 2.600 -2.825 4.564 1.00 0.00 N ATOM 1079 CA LEU A 71 1.724 -1.647 4.601 1.00 0.00 C ATOM 1080 C LEU A 71 2.492 -0.395 4.155 1.00 0.00 C ATOM 1081 O LEU A 71 3.549 -0.086 4.699 1.00 0.00 O ATOM 1082 CB LEU A 71 1.168 -1.480 6.035 1.00 0.00 C ATOM 1083 CG LEU A 71 -0.003 -0.482 6.156 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.330 -1.129 5.731 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -0.144 0.011 7.604 1.00 0.00 C ATOM 0 H LEU A 71 3.556 -2.618 4.854 1.00 0.00 H new ATOM 0 HA LEU A 71 0.891 -1.784 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.838 -2.453 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.977 -1.153 6.689 1.00 0.00 H new ATOM 0 HG LEU A 71 0.218 0.357 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.136 -0.402 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.259 -1.457 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.537 -1.987 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.975 0.714 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.334 -0.838 8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.777 0.508 7.911 1.00 0.00 H new ATOM 1097 N PHE A 72 1.947 0.338 3.187 1.00 0.00 N ATOM 1098 CA PHE A 72 2.466 1.621 2.712 1.00 0.00 C ATOM 1099 C PHE A 72 1.516 2.744 3.143 1.00 0.00 C ATOM 1100 O PHE A 72 0.304 2.623 2.972 1.00 0.00 O ATOM 1101 CB PHE A 72 2.598 1.557 1.184 1.00 0.00 C ATOM 1102 CG PHE A 72 3.022 2.864 0.547 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.309 3.387 0.789 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.121 3.573 -0.271 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.686 4.619 0.225 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.504 4.796 -0.844 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.780 5.323 -0.589 1.00 0.00 C ATOM 0 H PHE A 72 1.103 0.046 2.694 1.00 0.00 H new ATOM 0 HA PHE A 72 3.446 1.826 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.323 0.786 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.642 1.251 0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.006 2.841 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.134 3.175 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.669 5.024 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.816 5.332 -1.482 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.067 6.271 -1.019 1.00 0.00 H new ATOM 1117 N SER A 73 2.044 3.840 3.693 1.00 0.00 N ATOM 1118 CA SER A 73 1.220 4.972 4.153 1.00 0.00 C ATOM 1119 C SER A 73 1.849 6.352 3.892 1.00 0.00 C ATOM 1120 O SER A 73 3.070 6.520 3.914 1.00 0.00 O ATOM 1121 CB SER A 73 0.896 4.795 5.644 1.00 0.00 C ATOM 1122 OG SER A 73 -0.072 5.728 6.096 1.00 0.00 O ATOM 0 H SER A 73 3.046 3.972 3.833 1.00 0.00 H new ATOM 0 HA SER A 73 0.305 4.956 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.531 3.783 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.809 4.909 6.229 1.00 0.00 H new ATOM 0 HG SER A 73 -0.697 5.930 5.368 1.00 0.00 H new ATOM 1128 N PHE A 74 1.004 7.368 3.683 1.00 0.00 N ATOM 1129 CA PHE A 74 1.428 8.761 3.473 1.00 0.00 C ATOM 1130 C PHE A 74 0.399 9.791 3.966 1.00 0.00 C ATOM 1131 O PHE A 74 -0.784 9.486 4.120 1.00 0.00 O ATOM 1132 CB PHE A 74 1.811 8.990 2.002 1.00 0.00 C ATOM 1133 CG PHE A 74 0.678 8.763 1.020 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.265 9.778 0.768 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.557 7.518 0.377 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.333 9.541 -0.113 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.501 7.286 -0.517 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.453 8.293 -0.749 1.00 0.00 C ATOM 0 H PHE A 74 -0.008 7.246 3.654 1.00 0.00 H new ATOM 0 HA PHE A 74 2.313 8.921 4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.176 10.011 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.637 8.326 1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.167 10.738 1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.279 6.739 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.061 10.316 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.583 6.336 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.280 8.108 -1.418 1.00 0.00 H new ATOM 1148 N GLU A 75 0.876 11.014 4.214 1.00 0.00 N ATOM 1149 CA GLU A 75 0.109 12.146 4.733 1.00 0.00 C ATOM 1150 C GLU A 75 0.067 13.285 3.706 1.00 0.00 C ATOM 1151 O GLU A 75 1.104 13.755 3.229 1.00 0.00 O ATOM 1152 CB GLU A 75 0.740 12.623 6.049 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.066 13.744 6.720 1.00 0.00 C ATOM 1154 CD GLU A 75 0.565 14.135 8.060 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.516 13.319 9.009 1.00 0.00 O ATOM 1156 OE2 GLU A 75 1.143 15.240 8.163 1.00 0.00 O ATOM 0 H GLU A 75 1.854 11.251 4.050 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.917 11.831 4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.822 11.780 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.753 12.976 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.106 14.613 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.093 13.416 6.878 1.00 0.00 H new ATOM 1163 N SER A 76 -1.136 13.749 3.382 1.00 0.00 N ATOM 1164 CA SER A 76 -1.391 14.804 2.399 1.00 0.00 C ATOM 1165 C SER A 76 -1.709 16.165 3.045 1.00 0.00 C ATOM 1166 O SER A 76 -2.345 16.252 4.102 1.00 0.00 O ATOM 1167 CB SER A 76 -2.563 14.389 1.496 1.00 0.00 C ATOM 1168 OG SER A 76 -3.736 14.143 2.258 1.00 0.00 O ATOM 0 H SER A 76 -1.990 13.391 3.809 1.00 0.00 H new ATOM 0 HA SER A 76 -0.476 14.927 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.759 15.174 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.295 13.493 0.937 1.00 0.00 H new ATOM 0 HG SER A 76 -4.474 14.685 1.907 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.295 17.246 2.376 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.701 18.620 2.694 1.00 0.00 C ATOM 1176 C GLY A 77 -3.115 18.923 2.187 1.00 0.00 C ATOM 1177 O GLY A 77 -3.680 18.183 1.380 1.00 0.00 O ATOM 0 H GLY A 77 -0.656 17.190 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.661 18.771 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.996 19.321 2.247 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.693 20.043 2.637 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.102 20.402 2.384 1.00 0.00 C ATOM 1183 C ARG A 78 -5.434 20.850 0.944 1.00 0.00 C ATOM 1184 O ARG A 78 -6.587 21.189 0.669 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.581 21.392 3.467 1.00 0.00 C ATOM 1186 CG ARG A 78 -5.022 22.828 3.381 1.00 0.00 C ATOM 1187 CD ARG A 78 -5.920 23.834 2.638 1.00 0.00 C ATOM 1188 NE ARG A 78 -7.267 23.944 3.235 1.00 0.00 N ATOM 1189 CZ ARG A 78 -7.608 24.582 4.351 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -6.735 25.255 5.072 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -8.856 24.545 4.765 1.00 0.00 N ATOM 0 H ARG A 78 -3.194 20.736 3.194 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.677 19.480 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.669 21.446 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.321 20.982 4.443 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.850 23.196 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.052 22.795 2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.443 24.814 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.013 23.531 1.595 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.022 23.477 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.759 25.300 4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.035 25.732 5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.555 24.029 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.124 25.032 5.620 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.454 20.846 0.027 1.00 0.00 N ATOM 1206 CA ARG A 79 -4.566 21.307 -1.370 1.00 0.00 C ATOM 1207 C ARG A 79 -4.319 20.159 -2.372 1.00 0.00 C ATOM 1208 O ARG A 79 -3.371 20.187 -3.158 1.00 0.00 O ATOM 1209 CB ARG A 79 -3.630 22.511 -1.605 1.00 0.00 C ATOM 1210 CG ARG A 79 -3.955 23.713 -0.700 1.00 0.00 C ATOM 1211 CD ARG A 79 -3.158 24.965 -1.087 1.00 0.00 C ATOM 1212 NE ARG A 79 -1.707 24.785 -0.887 1.00 0.00 N ATOM 1213 CZ ARG A 79 -0.739 25.525 -1.419 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -0.994 26.557 -2.199 1.00 0.00 N ATOM 1215 NH2 ARG A 79 0.519 25.234 -1.167 1.00 0.00 N ATOM 0 H ARG A 79 -3.518 20.506 0.247 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.588 21.642 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.599 22.202 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.699 22.820 -2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.021 23.931 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.739 23.454 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.352 25.209 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.503 25.811 -0.493 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.418 24.017 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.959 26.810 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.226 27.103 -2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.749 24.443 -0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.264 25.799 -1.573 1.00 0.00 H new ATOM 1229 N CYS A 80 -5.185 19.142 -2.342 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.180 17.974 -3.241 1.00 0.00 C ATOM 1231 C CYS A 80 -6.587 17.346 -3.359 1.00 0.00 C ATOM 1232 O CYS A 80 -7.511 17.770 -2.661 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.100 16.974 -2.780 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.559 16.219 -1.194 1.00 0.00 S ATOM 0 H CYS A 80 -5.944 19.104 -1.662 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.921 18.292 -4.251 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.971 16.198 -3.534 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.142 17.485 -2.681 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.203 17.004 -0.221 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.759 16.350 -4.240 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.075 15.797 -4.612 1.00 0.00 C ATOM 1242 C GLN A 81 -8.863 15.237 -3.409 1.00 0.00 C ATOM 1243 O GLN A 81 -10.090 15.370 -3.362 1.00 0.00 O ATOM 1244 CB GLN A 81 -7.883 14.693 -5.676 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.181 14.382 -6.449 1.00 0.00 C ATOM 1246 CD GLN A 81 -9.232 12.944 -6.974 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -9.769 12.050 -6.335 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -8.691 12.659 -8.142 1.00 0.00 N ATOM 0 H GLN A 81 -5.981 15.899 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.667 16.619 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.111 15.002 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.527 13.784 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.037 14.556 -5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.273 15.073 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.239 13.393 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.724 11.705 -8.500 1.00 0.00 H new ATOM 1257 N THR A 82 -8.167 14.640 -2.432 1.00 0.00 N ATOM 1258 CA THR A 82 -8.760 13.979 -1.257 1.00 0.00 C ATOM 1259 C THR A 82 -8.823 14.869 -0.015 1.00 0.00 C ATOM 1260 O THR A 82 -9.376 14.445 1.001 1.00 0.00 O ATOM 1261 CB THR A 82 -7.986 12.697 -0.934 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.633 13.025 -0.697 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.039 11.686 -2.078 1.00 0.00 C ATOM 0 H THR A 82 -7.148 14.601 -2.435 1.00 0.00 H new ATOM 0 HA THR A 82 -9.791 13.748 -1.525 1.00 0.00 H new ATOM 0 HB THR A 82 -8.449 12.246 -0.057 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.309 12.531 0.084 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.476 10.794 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.076 11.414 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.603 12.127 -2.974 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.252 16.077 -0.070 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.049 16.944 1.093 1.00 0.00 C ATOM 1273 C GLY A 83 -6.941 16.432 2.023 1.00 0.00 C ATOM 1274 O GLY A 83 -6.208 15.497 1.695 1.00 0.00 O ATOM 0 H GLY A 83 -7.912 16.486 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.798 17.949 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.982 17.020 1.652 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.827 17.058 3.195 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.869 16.674 4.236 1.00 0.00 C ATOM 1280 C GLN A 84 -6.284 15.347 4.889 1.00 0.00 C ATOM 1281 O GLN A 84 -7.418 15.200 5.356 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.790 17.803 5.280 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.766 17.541 6.398 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.738 18.666 7.439 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -4.674 19.849 7.124 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -4.788 18.352 8.719 1.00 0.00 N ATOM 0 H GLN A 84 -7.405 17.858 3.453 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.884 16.526 3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.534 18.735 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.775 17.942 5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.004 16.599 6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.774 17.430 5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.842 17.374 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.773 19.088 9.426 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.349 14.396 4.965 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.542 13.112 5.641 1.00 0.00 C ATOM 1297 C GLY A 85 -4.303 12.222 5.622 1.00 0.00 C ATOM 1298 O GLY A 85 -3.245 12.601 5.117 1.00 0.00 O ATOM 0 H GLY A 85 -4.422 14.499 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.832 13.295 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.368 12.582 5.167 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.455 11.017 6.171 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.477 9.925 6.092 1.00 0.00 C ATOM 1304 C ILE A 86 -4.159 8.739 5.405 1.00 0.00 C ATOM 1305 O ILE A 86 -5.255 8.350 5.811 1.00 0.00 O ATOM 1306 CB ILE A 86 -2.942 9.536 7.495 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.126 10.650 8.191 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.040 8.293 7.380 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.964 11.634 9.014 1.00 0.00 C ATOM 0 H ILE A 86 -5.289 10.763 6.701 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.609 10.244 5.515 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.826 9.347 8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.387 10.187 8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.576 11.207 7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.666 8.022 8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.615 7.463 6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.200 8.513 6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.310 12.380 9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.685 12.130 8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.494 11.093 9.798 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.509 8.159 4.394 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.039 7.051 3.596 1.00 0.00 C ATOM 1323 C PHE A 87 -3.064 5.873 3.624 1.00 0.00 C ATOM 1324 O PHE A 87 -1.881 6.040 3.315 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.295 7.532 2.159 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.258 8.699 2.075 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.641 8.481 2.216 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.769 10.009 1.904 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.533 9.567 2.187 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.662 11.092 1.879 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.041 10.873 2.021 1.00 0.00 C ATOM 0 H PHE A 87 -2.578 8.453 4.100 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.985 6.711 4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.346 7.821 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.689 6.703 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.018 7.477 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.708 10.180 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.595 9.398 2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.287 12.096 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.725 11.709 2.003 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.568 4.686 3.981 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.768 3.476 4.164 1.00 0.00 C ATOM 1343 C ALA A 88 -3.323 2.284 3.374 1.00 0.00 C ATOM 1344 O ALA A 88 -4.538 2.050 3.309 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.666 3.162 5.657 1.00 0.00 C ATOM 0 H ALA A 88 -4.563 4.540 4.153 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.770 3.659 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.070 2.260 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.190 3.996 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.665 3.005 6.065 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.394 1.537 2.782 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.669 0.477 1.816 1.00 0.00 C ATOM 1353 C PHE A 89 -1.860 -0.781 2.137 1.00 0.00 C ATOM 1354 O PHE A 89 -0.651 -0.708 2.353 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.334 0.964 0.396 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.951 2.289 -0.014 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.356 3.498 0.395 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.110 2.317 -0.810 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.935 4.727 0.038 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.678 3.548 -1.181 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.088 4.752 -0.759 1.00 0.00 C ATOM 0 H PHE A 89 -1.398 1.657 2.967 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.728 0.228 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.251 1.047 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.654 0.201 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.452 3.480 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.564 1.393 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.492 5.652 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.569 3.569 -1.791 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.523 5.697 -1.049 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.511 -1.946 2.132 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.844 -3.240 2.246 1.00 0.00 C ATOM 1373 C LYS A 90 -1.228 -3.622 0.900 1.00 0.00 C ATOM 1374 O LYS A 90 -1.894 -3.567 -0.141 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.832 -4.313 2.733 1.00 0.00 C ATOM 1376 CG LYS A 90 -3.055 -4.217 4.247 1.00 0.00 C ATOM 1377 CD LYS A 90 -4.063 -5.279 4.715 1.00 0.00 C ATOM 1378 CE LYS A 90 -4.380 -5.176 6.215 1.00 0.00 C ATOM 1379 NZ LYS A 90 -3.251 -5.625 7.074 1.00 0.00 N ATOM 0 H LYS A 90 -3.525 -2.016 2.048 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.044 -3.169 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.784 -4.196 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.451 -5.303 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.108 -4.353 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.421 -3.223 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.986 -5.174 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.666 -6.271 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.628 -4.143 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.262 -5.777 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.519 -5.534 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.029 -6.619 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.415 -5.036 6.885 1.00 0.00 H new ATOM 1393 N CYS A 91 0.039 -4.024 0.950 1.00 0.00 N ATOM 1394 CA CYS A 91 0.844 -4.458 -0.193 1.00 0.00 C ATOM 1395 C CYS A 91 2.173 -5.074 0.280 1.00 0.00 C ATOM 1396 O CYS A 91 2.882 -4.494 1.103 1.00 0.00 O ATOM 1397 CB CYS A 91 1.054 -3.289 -1.180 1.00 0.00 C ATOM 1398 SG CYS A 91 1.721 -1.819 -0.346 1.00 0.00 S ATOM 0 H CYS A 91 0.558 -4.058 1.827 1.00 0.00 H new ATOM 0 HA CYS A 91 0.306 -5.239 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.736 -3.599 -1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 91 0.106 -3.039 -1.656 1.00 0.00 H new ATOM 0 HG CYS A 91 1.493 -0.766 -1.074 1.00 0.00 H new ATOM 1404 N SER A 92 2.545 -6.233 -0.256 1.00 0.00 N ATOM 1405 CA SER A 92 3.750 -6.987 0.141 1.00 0.00 C ATOM 1406 C SER A 92 5.082 -6.349 -0.304 1.00 0.00 C ATOM 1407 O SER A 92 6.153 -6.812 0.101 1.00 0.00 O ATOM 1408 CB SER A 92 3.635 -8.421 -0.400 1.00 0.00 C ATOM 1409 OG SER A 92 3.384 -8.420 -1.802 1.00 0.00 O ATOM 0 H SER A 92 2.012 -6.691 -0.995 1.00 0.00 H new ATOM 0 HA SER A 92 3.783 -6.977 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.556 -8.967 -0.192 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.831 -8.945 0.117 1.00 0.00 H new ATOM 0 HG SER A 92 3.317 -9.344 -2.123 1.00 0.00 H new ATOM 1415 N ARG A 93 5.025 -5.275 -1.107 1.00 0.00 N ATOM 1416 CA ARG A 93 6.180 -4.566 -1.685 1.00 0.00 C ATOM 1417 C ARG A 93 6.209 -3.077 -1.298 1.00 0.00 C ATOM 1418 O ARG A 93 6.803 -2.258 -1.999 1.00 0.00 O ATOM 1419 CB ARG A 93 6.228 -4.790 -3.212 1.00 0.00 C ATOM 1420 CG ARG A 93 6.183 -6.285 -3.578 1.00 0.00 C ATOM 1421 CD ARG A 93 6.451 -6.548 -5.061 1.00 0.00 C ATOM 1422 NE ARG A 93 7.880 -6.413 -5.390 1.00 0.00 N ATOM 1423 CZ ARG A 93 8.768 -7.377 -5.590 1.00 0.00 C ATOM 1424 NH1 ARG A 93 8.445 -8.654 -5.603 1.00 0.00 N ATOM 1425 NH2 ARG A 93 10.022 -7.042 -5.792 1.00 0.00 N ATOM 0 H ARG A 93 4.136 -4.859 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 93 7.089 -4.989 -1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.388 -4.277 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.138 -4.345 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.920 -6.821 -2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.205 -6.688 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.112 -7.551 -5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.871 -5.850 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 93 8.230 -5.459 -5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.476 -8.937 -5.455 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.164 -9.360 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.293 -6.059 -5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.724 -7.765 -5.948 1.00 0.00 H new ATOM 1439 N ALA A 94 5.595 -2.718 -0.162 1.00 0.00 N ATOM 1440 CA ALA A 94 5.542 -1.354 0.388 1.00 0.00 C ATOM 1441 C ALA A 94 6.914 -0.653 0.471 1.00 0.00 C ATOM 1442 O ALA A 94 7.000 0.551 0.235 1.00 0.00 O ATOM 1443 CB ALA A 94 4.895 -1.448 1.778 1.00 0.00 C ATOM 0 H ALA A 94 5.103 -3.394 0.422 1.00 0.00 H new ATOM 0 HA ALA A 94 4.957 -0.734 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.837 -0.454 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.891 -1.862 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.497 -2.095 2.416 1.00 0.00 H new ATOM 1449 N GLU A 95 7.987 -1.412 0.729 1.00 0.00 N ATOM 1450 CA GLU A 95 9.371 -0.924 0.727 1.00 0.00 C ATOM 1451 C GLU A 95 9.809 -0.382 -0.645 1.00 0.00 C ATOM 1452 O GLU A 95 10.497 0.633 -0.708 1.00 0.00 O ATOM 1453 CB GLU A 95 10.302 -2.067 1.174 1.00 0.00 C ATOM 1454 CG GLU A 95 11.758 -1.616 1.360 1.00 0.00 C ATOM 1455 CD GLU A 95 12.659 -2.764 1.842 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.373 -3.372 2.900 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.672 -3.055 1.163 1.00 0.00 O ATOM 0 H GLU A 95 7.914 -2.405 0.950 1.00 0.00 H new ATOM 0 HA GLU A 95 9.434 -0.087 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.934 -2.483 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.267 -2.867 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.140 -1.227 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.795 -0.799 2.080 1.00 0.00 H new ATOM 1464 N GLU A 96 9.396 -1.017 -1.747 1.00 0.00 N ATOM 1465 CA GLU A 96 9.744 -0.568 -3.099 1.00 0.00 C ATOM 1466 C GLU A 96 8.923 0.653 -3.518 1.00 0.00 C ATOM 1467 O GLU A 96 9.445 1.512 -4.227 1.00 0.00 O ATOM 1468 CB GLU A 96 9.572 -1.696 -4.125 1.00 0.00 C ATOM 1469 CG GLU A 96 10.560 -2.843 -3.883 1.00 0.00 C ATOM 1470 CD GLU A 96 10.505 -3.907 -4.986 1.00 0.00 C ATOM 1471 OE1 GLU A 96 9.425 -4.136 -5.571 1.00 0.00 O ATOM 1472 OE2 GLU A 96 11.527 -4.582 -5.243 1.00 0.00 O ATOM 0 H GLU A 96 8.813 -1.854 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 96 10.795 -0.280 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.552 -2.079 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.716 -1.298 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.571 -2.440 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.343 -3.309 -2.922 1.00 0.00 H new ATOM 1479 N ILE A 97 7.678 0.787 -3.039 1.00 0.00 N ATOM 1480 CA ILE A 97 6.880 2.011 -3.232 1.00 0.00 C ATOM 1481 C ILE A 97 7.542 3.180 -2.493 1.00 0.00 C ATOM 1482 O ILE A 97 7.768 4.231 -3.094 1.00 0.00 O ATOM 1483 CB ILE A 97 5.403 1.838 -2.796 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.763 0.559 -3.384 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.607 3.083 -3.235 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.308 0.322 -2.956 1.00 0.00 C ATOM 0 H ILE A 97 7.197 0.058 -2.511 1.00 0.00 H new ATOM 0 HA ILE A 97 6.856 2.226 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 97 5.377 1.732 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.804 0.614 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.361 -0.302 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.565 2.974 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.030 3.970 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.662 3.187 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.939 -0.596 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.258 0.231 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.692 1.162 -3.279 1.00 0.00 H new ATOM 1498 N PHE A 98 7.920 2.986 -1.223 1.00 0.00 N ATOM 1499 CA PHE A 98 8.636 3.977 -0.425 1.00 0.00 C ATOM 1500 C PHE A 98 9.984 4.371 -1.051 1.00 0.00 C ATOM 1501 O PHE A 98 10.272 5.563 -1.179 1.00 0.00 O ATOM 1502 CB PHE A 98 8.806 3.389 0.978 1.00 0.00 C ATOM 1503 CG PHE A 98 9.611 4.247 1.926 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.965 5.196 2.738 1.00 0.00 C ATOM 1505 CD2 PHE A 98 11.004 4.063 2.029 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.710 5.942 3.668 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.747 4.821 2.949 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.099 5.754 3.776 1.00 0.00 C ATOM 0 H PHE A 98 7.732 2.120 -0.717 1.00 0.00 H new ATOM 0 HA PHE A 98 8.064 4.904 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.819 3.221 1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.287 2.414 0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.900 5.351 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.501 3.339 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.214 6.662 4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.816 4.687 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.668 6.326 4.494 1.00 0.00 H new ATOM 1518 N ASN A 99 10.789 3.394 -1.485 1.00 0.00 N ATOM 1519 CA ASN A 99 12.075 3.642 -2.141 1.00 0.00 C ATOM 1520 C ASN A 99 11.899 4.427 -3.450 1.00 0.00 C ATOM 1521 O ASN A 99 12.556 5.451 -3.635 1.00 0.00 O ATOM 1522 CB ASN A 99 12.822 2.322 -2.394 1.00 0.00 C ATOM 1523 CG ASN A 99 13.427 1.692 -1.139 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.621 2.328 -0.108 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.788 0.422 -1.207 1.00 0.00 N ATOM 0 H ASN A 99 10.564 2.404 -1.390 1.00 0.00 H new ATOM 0 HA ASN A 99 12.675 4.254 -1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.133 1.610 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.618 2.501 -3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.227 -0.027 -0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.628 -0.109 -2.063 1.00 0.00 H new ATOM 1532 N LEU A 100 10.974 4.009 -4.324 1.00 0.00 N ATOM 1533 CA LEU A 100 10.682 4.695 -5.585 1.00 0.00 C ATOM 1534 C LEU A 100 10.181 6.125 -5.344 1.00 0.00 C ATOM 1535 O LEU A 100 10.613 7.041 -6.039 1.00 0.00 O ATOM 1536 CB LEU A 100 9.672 3.842 -6.377 1.00 0.00 C ATOM 1537 CG LEU A 100 9.238 4.432 -7.732 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.420 4.626 -8.694 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.202 3.503 -8.380 1.00 0.00 C ATOM 0 H LEU A 100 10.403 3.177 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 100 11.594 4.800 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.108 2.858 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.784 3.694 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 100 8.809 5.415 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.059 5.044 -9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.144 5.308 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.896 3.664 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.892 3.917 -9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.643 2.518 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.334 3.413 -7.726 1.00 0.00 H new ATOM 1551 N LEU A 101 9.335 6.339 -4.330 1.00 0.00 N ATOM 1552 CA LEU A 101 8.857 7.667 -3.946 1.00 0.00 C ATOM 1553 C LEU A 101 10.011 8.602 -3.570 1.00 0.00 C ATOM 1554 O LEU A 101 10.116 9.683 -4.149 1.00 0.00 O ATOM 1555 CB LEU A 101 7.831 7.524 -2.804 1.00 0.00 C ATOM 1556 CG LEU A 101 7.120 8.833 -2.416 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.250 9.371 -3.560 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.235 8.592 -1.189 1.00 0.00 C ATOM 0 H LEU A 101 8.961 5.588 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 101 8.366 8.129 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.080 6.791 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.338 7.127 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 101 7.889 9.573 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.766 10.295 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.875 9.567 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.490 8.633 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.732 9.520 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.491 7.830 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.852 8.254 -0.356 1.00 0.00 H new ATOM 1570 N GLN A 102 10.903 8.198 -2.657 1.00 0.00 N ATOM 1571 CA GLN A 102 12.034 9.049 -2.281 1.00 0.00 C ATOM 1572 C GLN A 102 13.053 9.216 -3.420 1.00 0.00 C ATOM 1573 O GLN A 102 13.627 10.294 -3.554 1.00 0.00 O ATOM 1574 CB GLN A 102 12.688 8.581 -0.973 1.00 0.00 C ATOM 1575 CG GLN A 102 13.367 7.205 -1.020 1.00 0.00 C ATOM 1576 CD GLN A 102 14.146 6.880 0.256 1.00 0.00 C ATOM 1577 OE1 GLN A 102 13.738 7.183 1.371 1.00 0.00 O ATOM 1578 NE2 GLN A 102 15.306 6.265 0.146 1.00 0.00 N ATOM 0 H GLN A 102 10.864 7.301 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 102 11.629 10.044 -2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.430 9.321 -0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.926 8.563 -0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.610 6.438 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.045 7.169 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.660 6.006 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.850 6.048 0.981 1.00 0.00 H new ATOM 1587 N ASP A 103 13.233 8.206 -4.280 1.00 0.00 N ATOM 1588 CA ASP A 103 14.115 8.265 -5.451 1.00 0.00 C ATOM 1589 C ASP A 103 13.637 9.309 -6.479 1.00 0.00 C ATOM 1590 O ASP A 103 14.443 10.081 -7.008 1.00 0.00 O ATOM 1591 CB ASP A 103 14.217 6.876 -6.114 1.00 0.00 C ATOM 1592 CG ASP A 103 15.081 5.849 -5.352 1.00 0.00 C ATOM 1593 OD1 ASP A 103 15.952 6.241 -4.541 1.00 0.00 O ATOM 1594 OD2 ASP A 103 14.918 4.635 -5.626 1.00 0.00 O ATOM 0 H ASP A 103 12.760 7.308 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 103 15.101 8.572 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.212 6.470 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.626 6.998 -7.117 1.00 0.00 H new ATOM 1599 N LEU A 104 12.322 9.382 -6.718 1.00 0.00 N ATOM 1600 CA LEU A 104 11.696 10.377 -7.594 1.00 0.00 C ATOM 1601 C LEU A 104 11.669 11.774 -6.956 1.00 0.00 C ATOM 1602 O LEU A 104 11.783 12.771 -7.672 1.00 0.00 O ATOM 1603 CB LEU A 104 10.274 9.903 -7.954 1.00 0.00 C ATOM 1604 CG LEU A 104 10.245 8.644 -8.846 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.850 8.015 -8.820 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.645 8.959 -10.297 1.00 0.00 C ATOM 0 H LEU A 104 11.651 8.738 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 104 12.293 10.466 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.726 9.698 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.750 10.711 -8.465 1.00 0.00 H new ATOM 0 HG LEU A 104 10.974 7.941 -8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.839 7.127 -9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.596 7.735 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.120 8.734 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.611 8.045 -10.890 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.952 9.689 -10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.656 9.366 -10.315 1.00 0.00 H new ATOM 1618 N MET A 105 11.574 11.862 -5.623 1.00 0.00 N ATOM 1619 CA MET A 105 11.574 13.136 -4.887 1.00 0.00 C ATOM 1620 C MET A 105 12.982 13.716 -4.667 1.00 0.00 C ATOM 1621 O MET A 105 13.106 14.939 -4.563 1.00 0.00 O ATOM 1622 CB MET A 105 10.789 12.989 -3.573 1.00 0.00 C ATOM 1623 CG MET A 105 9.291 12.799 -3.859 1.00 0.00 C ATOM 1624 SD MET A 105 8.245 12.446 -2.419 1.00 0.00 S ATOM 1625 CE MET A 105 8.239 14.058 -1.603 1.00 0.00 C ATOM 0 H MET A 105 11.494 11.044 -5.018 1.00 0.00 H new ATOM 0 HA MET A 105 11.066 13.870 -5.512 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.169 12.137 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.938 13.873 -2.953 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.916 13.701 -4.343 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.178 11.984 -4.574 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.349 14.147 -0.980 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.129 14.154 -0.981 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.236 14.847 -2.355 1.00 0.00 H new ATOM 2019 N PHE A 136 -9.987 6.076 2.653 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.290 6.280 4.074 1.00 0.00 C ATOM 2021 C PHE A 136 -9.185 7.091 4.761 1.00 0.00 C ATOM 2022 O PHE A 136 -8.013 6.709 4.727 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.472 4.902 4.724 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.949 4.923 6.164 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -10.037 5.117 7.221 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.314 4.725 6.453 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.489 5.117 8.553 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.764 4.719 7.786 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.850 4.916 8.836 1.00 0.00 C ATOM 0 HA PHE A 136 -11.208 6.857 4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.185 4.330 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.522 4.370 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.989 5.266 7.008 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -13.018 4.577 5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.788 5.272 9.360 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.811 4.563 8.002 1.00 0.00 H new ATOM 0 HZ PHE A 136 -12.194 4.913 9.860 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.574 8.198 5.407 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.672 9.054 6.182 1.00 0.00 C ATOM 2041 C ARG A 137 -8.437 8.448 7.574 1.00 0.00 C ATOM 2042 O ARG A 137 -9.357 8.402 8.394 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.251 10.476 6.342 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.310 11.344 5.074 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.529 11.057 4.185 1.00 0.00 C ATOM 2046 NE ARG A 137 -10.739 12.136 3.201 1.00 0.00 N ATOM 2047 CZ ARG A 137 -11.906 12.628 2.794 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -13.063 12.148 3.205 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -11.921 13.635 1.952 1.00 0.00 N ATOM 0 H ARG A 137 -10.539 8.527 5.405 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.728 9.119 5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.261 10.389 6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.657 11.003 7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -9.322 12.395 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.402 11.184 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.388 10.110 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.418 10.950 4.806 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.901 12.548 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -13.087 11.368 3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.934 12.557 2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.044 14.032 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.810 14.020 1.633 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.207 8.017 7.866 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.788 7.632 9.220 1.00 0.00 C ATOM 2065 C LEU A 138 -6.597 8.887 10.089 1.00 0.00 C ATOM 2066 O LEU A 138 -6.115 9.916 9.608 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.489 6.804 9.162 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.593 5.432 8.471 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.205 4.785 8.464 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.564 4.489 9.190 1.00 0.00 C ATOM 0 H LEU A 138 -6.469 7.924 7.168 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.566 7.015 9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.730 7.392 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.134 6.649 10.181 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.969 5.594 7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.260 3.811 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.509 5.423 7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.857 4.659 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.602 3.535 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.223 4.326 10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.559 4.934 9.206 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.957 8.792 11.375 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.829 9.888 12.351 1.00 0.00 C ATOM 2084 C ARG A 139 -5.373 10.180 12.750 1.00 0.00 C ATOM 2085 O ARG A 139 -5.025 11.321 13.051 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.645 9.549 13.610 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.159 9.648 13.359 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.954 9.317 14.627 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.404 9.447 14.393 1.00 0.00 N ATOM 2090 CZ ARG A 139 -12.371 9.153 15.255 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -12.117 8.687 16.462 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -13.629 9.328 14.909 1.00 0.00 N ATOM 0 H ARG A 139 -7.351 7.941 11.775 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.212 10.787 11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.398 8.541 13.942 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.366 10.227 14.416 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.409 10.654 13.022 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.443 8.964 12.559 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.724 8.301 14.949 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.651 9.984 15.434 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.693 9.797 13.480 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.152 8.542 16.760 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.885 8.472 17.098 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.858 9.688 13.982 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -14.375 9.104 15.567 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.524 9.149 12.728 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.100 9.181 13.091 1.00 0.00 C ATOM 2108 C HIS A 140 -2.247 8.319 12.133 1.00 0.00 C ATOM 2109 O HIS A 140 -2.762 7.407 11.477 1.00 0.00 O ATOM 2110 CB HIS A 140 -2.944 8.711 14.548 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.608 9.613 15.554 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -3.090 10.825 16.015 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.811 9.385 16.158 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -4.000 11.299 16.884 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -5.043 10.457 16.991 1.00 0.00 N ATOM 0 H HIS A 140 -4.826 8.218 12.441 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.735 10.204 12.999 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.361 7.708 14.643 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -1.882 8.638 14.784 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.455 8.531 16.011 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.906 12.230 17.423 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.862 10.589 17.585 1.00 0.00 H new ATOM 2123 N PHE A 141 -0.944 8.608 12.039 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.039 7.954 11.090 1.00 0.00 C ATOM 2125 C PHE A 141 0.359 6.529 11.557 1.00 0.00 C ATOM 2126 O PHE A 141 0.859 6.399 12.681 1.00 0.00 O ATOM 2127 CB PHE A 141 1.183 8.856 10.860 1.00 0.00 C ATOM 2128 CG PHE A 141 1.969 8.454 9.631 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.536 8.880 8.362 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.100 7.627 9.741 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.216 8.461 7.209 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.787 7.217 8.585 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.335 7.621 7.318 1.00 0.00 C ATOM 0 H PHE A 141 -0.486 9.307 12.624 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.556 7.817 10.140 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.854 9.890 10.756 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.833 8.814 11.734 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.678 9.531 8.275 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.442 7.306 10.714 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.878 8.785 6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.663 6.591 8.671 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.848 7.286 6.429 1.00 0.00 H new ATOM 2143 N PRO A 142 0.146 5.465 10.747 1.00 0.00 N ATOM 2144 CA PRO A 142 0.304 4.079 11.197 1.00 0.00 C ATOM 2145 C PRO A 142 1.739 3.536 11.086 1.00 0.00 C ATOM 2146 O PRO A 142 2.157 2.775 11.959 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.649 3.267 10.315 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.628 4.031 8.993 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.522 5.487 9.451 1.00 0.00 C ATOM 0 HA PRO A 142 0.078 4.009 12.261 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.308 2.239 10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.652 3.222 10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.217 3.740 8.370 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.531 3.855 8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.044 6.080 8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.509 5.942 9.531 1.00 0.00 H new ATOM 2157 N CYS A 143 2.493 3.896 10.036 1.00 0.00 N ATOM 2158 CA CYS A 143 3.801 3.294 9.741 1.00 0.00 C ATOM 2159 C CYS A 143 4.932 3.858 10.619 1.00 0.00 C ATOM 2160 O CYS A 143 4.931 5.038 10.980 1.00 0.00 O ATOM 2161 CB CYS A 143 4.113 3.448 8.243 1.00 0.00 C ATOM 2162 SG CYS A 143 2.960 2.454 7.253 1.00 0.00 S ATOM 0 H CYS A 143 2.212 4.613 9.367 1.00 0.00 H new ATOM 0 HA CYS A 143 3.743 2.234 9.986 1.00 0.00 H new ATOM 0 HB2 CYS A 143 4.039 4.497 7.955 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.138 3.134 8.044 1.00 0.00 H new ATOM 0 HG CYS A 143 3.237 2.597 5.991 1.00 0.00 H new ATOM 2168 N GLY A 144 5.930 3.023 10.931 1.00 0.00 N ATOM 2169 CA GLY A 144 7.071 3.390 11.783 1.00 0.00 C ATOM 2170 C GLY A 144 8.166 4.154 11.038 1.00 0.00 C ATOM 2171 O GLY A 144 8.696 5.141 11.550 1.00 0.00 O ATOM 0 H GLY A 144 5.970 2.061 10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.714 4.000 12.613 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.499 2.485 12.214 1.00 0.00 H new ATOM 2175 N ASN A 145 8.499 3.735 9.813 1.00 0.00 N ATOM 2176 CA ASN A 145 9.623 4.282 9.038 1.00 0.00 C ATOM 2177 C ASN A 145 9.260 5.592 8.307 1.00 0.00 C ATOM 2178 O ASN A 145 9.234 5.658 7.079 1.00 0.00 O ATOM 2179 CB ASN A 145 10.157 3.221 8.073 1.00 0.00 C ATOM 2180 CG ASN A 145 10.674 1.975 8.784 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.672 2.011 9.496 1.00 0.00 O ATOM 2182 ND2 ASN A 145 10.012 0.845 8.622 1.00 0.00 N ATOM 0 H ASN A 145 7.991 2.998 9.324 1.00 0.00 H new ATOM 0 HA ASN A 145 10.414 4.545 9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.365 2.935 7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.961 3.652 7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.330 -0.004 9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 145 9.183 0.820 8.029 1.00 0.00 H new ATOM 2189 N VAL A 146 8.960 6.633 9.079 1.00 0.00 N ATOM 2190 CA VAL A 146 8.609 7.980 8.585 1.00 0.00 C ATOM 2191 C VAL A 146 9.823 8.660 7.937 1.00 0.00 C ATOM 2192 O VAL A 146 10.918 8.690 8.501 1.00 0.00 O ATOM 2193 CB VAL A 146 8.017 8.877 9.701 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.839 10.346 9.275 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.636 8.364 10.125 1.00 0.00 C ATOM 0 H VAL A 146 8.952 6.570 10.097 1.00 0.00 H new ATOM 0 HA VAL A 146 7.836 7.848 7.828 1.00 0.00 H new ATOM 0 HB VAL A 146 8.737 8.831 10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.421 10.917 10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.807 10.764 8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.164 10.398 8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.235 9.006 10.910 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.964 8.376 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.726 7.345 10.500 1.00 0.00 H new ATOM 2205 N ASN A 147 9.582 9.254 6.769 1.00 0.00 N ATOM 2206 CA ASN A 147 10.474 10.144 6.027 1.00 0.00 C ATOM 2207 C ASN A 147 9.672 11.359 5.509 1.00 0.00 C ATOM 2208 O ASN A 147 8.448 11.297 5.359 1.00 0.00 O ATOM 2209 CB ASN A 147 11.161 9.336 4.912 1.00 0.00 C ATOM 2210 CG ASN A 147 12.319 10.059 4.223 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.804 11.094 4.669 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.822 9.522 3.126 1.00 0.00 N ATOM 0 H ASN A 147 8.696 9.116 6.282 1.00 0.00 H new ATOM 0 HA ASN A 147 11.262 10.545 6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.533 8.402 5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.416 9.072 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.609 9.968 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.423 8.662 2.750 1.00 0.00 H new ATOM 2219 N TYR A 148 10.347 12.484 5.274 1.00 0.00 N ATOM 2220 CA TYR A 148 9.733 13.794 5.012 1.00 0.00 C ATOM 2221 C TYR A 148 9.906 14.251 3.554 1.00 0.00 C ATOM 2222 O TYR A 148 10.935 13.990 2.926 1.00 0.00 O ATOM 2223 CB TYR A 148 10.318 14.809 6.007 1.00 0.00 C ATOM 2224 CG TYR A 148 10.227 14.347 7.453 1.00 0.00 C ATOM 2225 CD1 TYR A 148 8.976 14.300 8.098 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.377 13.882 8.124 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.868 13.778 9.401 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.277 13.368 9.432 1.00 0.00 C ATOM 2229 CZ TYR A 148 10.020 13.312 10.074 1.00 0.00 C ATOM 2230 OH TYR A 148 9.907 12.804 11.334 1.00 0.00 O ATOM 0 H TYR A 148 11.366 12.514 5.259 1.00 0.00 H new ATOM 0 HA TYR A 148 8.656 13.715 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.362 14.994 5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.792 15.758 5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.096 14.666 7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.338 13.920 7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.904 13.734 9.887 1.00 0.00 H new ATOM 0 HE2 TYR A 148 12.161 13.017 9.944 1.00 0.00 H new ATOM 0 HH TYR A 148 10.790 12.527 11.655 1.00 0.00 H new