USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 41 CYS SG : rot 150:sc= -0.232 USER MOD Set 1.2: A 90 CYS SG : rot -177:sc= 0.00154 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00607 USER MOD Single : A 28 ASN : amide:sc=-0.00778 X(o=-0.0078,f=-0.0078) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 0.00832 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -64:sc= 1.71 USER MOD Single : A 64 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-1.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.521 K(o=0.52,f=-0.011) USER MOD Single : A 73 CYS SG : rot 110:sc= -1.02 USER MOD Single : A 76 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 88 TYR OH : rot -40:sc= 0.237 USER MOD Single : A 91 MET CE :methyl 172:sc= -1.47 (180deg=-1.71) USER MOD Single : A 92 CYS SG : rot -55:sc= -2.91! USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0922) USER MOD Single : A 97 THR OG1 : rot 140:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -173:sc= -0.157 (180deg=-0.226) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -177:sc= 0 (180deg=-0.029) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.628 17.632 -4.037 1.00 0.00 N ATOM 259 CA ILE A 20 -1.651 16.599 -4.357 1.00 0.00 C ATOM 260 C ILE A 20 -2.270 15.503 -5.217 1.00 0.00 C ATOM 261 O ILE A 20 -3.241 14.859 -4.819 1.00 0.00 O ATOM 262 CB ILE A 20 -1.064 15.965 -3.082 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.405 17.035 -2.210 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.063 14.878 -3.443 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.083 16.513 -0.877 1.00 0.00 C ATOM 0 HA ILE A 20 -0.850 17.085 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.876 15.510 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.437 17.466 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.119 17.840 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.343 14.440 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.561 14.104 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.748 15.310 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.539 17.326 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.758 16.108 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.821 15.728 -1.042 1.00 0.00 H new ATOM 277 N LYS A 21 -1.702 15.296 -6.400 1.00 0.00 N ATOM 278 CA LYS A 21 -2.195 14.276 -7.318 1.00 0.00 C ATOM 279 C LYS A 21 -1.189 13.137 -7.458 1.00 0.00 C ATOM 280 O LYS A 21 -0.174 13.104 -6.763 1.00 0.00 O ATOM 281 CB LYS A 21 -2.479 14.890 -8.691 1.00 0.00 C ATOM 282 CG LYS A 21 -1.225 15.260 -9.463 1.00 0.00 C ATOM 283 CD LYS A 21 -1.536 16.203 -10.613 1.00 0.00 C ATOM 284 CE LYS A 21 -0.583 15.993 -11.780 1.00 0.00 C ATOM 285 NZ LYS A 21 -0.632 17.124 -12.747 1.00 0.00 N ATOM 0 H LYS A 21 -0.899 15.822 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.121 13.872 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.064 14.185 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.092 15.782 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.508 15.730 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.755 14.356 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.562 16.046 -10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.468 17.235 -10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.434 15.881 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.836 15.065 -12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.031 16.943 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.596 17.215 -13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.366 18.006 -12.264 1.00 0.00 H new ATOM 299 N PHE A 22 -1.478 12.206 -8.360 1.00 0.00 N ATOM 300 CA PHE A 22 -0.599 11.066 -8.591 1.00 0.00 C ATOM 301 C PHE A 22 0.131 11.203 -9.924 1.00 0.00 C ATOM 302 O PHE A 22 -0.489 11.213 -10.988 1.00 0.00 O ATOM 303 CB PHE A 22 -1.401 9.763 -8.568 1.00 0.00 C ATOM 304 CG PHE A 22 -1.372 9.065 -7.238 1.00 0.00 C ATOM 305 CD1 PHE A 22 -0.265 8.326 -6.853 1.00 0.00 C ATOM 306 CD2 PHE A 22 -2.452 9.148 -6.374 1.00 0.00 C ATOM 307 CE1 PHE A 22 -0.237 7.682 -5.630 1.00 0.00 C ATOM 308 CE2 PHE A 22 -2.429 8.507 -5.150 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.319 7.774 -4.777 1.00 0.00 C ATOM 0 H PHE A 22 -2.315 12.218 -8.943 1.00 0.00 H new ATOM 0 HA PHE A 22 0.142 11.043 -7.792 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.436 9.978 -8.834 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.009 9.091 -9.331 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.585 8.252 -7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.322 9.720 -6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.631 7.107 -5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.278 8.579 -4.486 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.298 7.274 -3.820 1.00 0.00 H new ATOM 319 N THR A 23 1.455 11.310 -9.859 1.00 0.00 N ATOM 320 CA THR A 23 2.271 11.449 -11.059 1.00 0.00 C ATOM 321 C THR A 23 2.418 10.114 -11.780 1.00 0.00 C ATOM 322 O THR A 23 2.409 10.060 -13.010 1.00 0.00 O ATOM 323 CB THR A 23 3.671 11.997 -10.725 1.00 0.00 C ATOM 324 OG1 THR A 23 4.389 11.052 -9.923 1.00 0.00 O ATOM 325 CG2 THR A 23 3.572 13.324 -9.988 1.00 0.00 C ATOM 0 H THR A 23 1.985 11.303 -8.987 1.00 0.00 H new ATOM 0 HA THR A 23 1.759 12.156 -11.711 1.00 0.00 H new ATOM 0 HB THR A 23 4.206 12.159 -11.661 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.279 11.407 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.573 13.691 -9.763 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.052 14.050 -10.613 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.020 13.184 -9.059 1.00 0.00 H new ATOM 333 N GLU A 24 2.553 9.041 -11.008 1.00 0.00 N ATOM 334 CA GLU A 24 2.702 7.706 -11.576 1.00 0.00 C ATOM 335 C GLU A 24 2.003 6.664 -10.708 1.00 0.00 C ATOM 336 O GLU A 24 2.648 5.922 -9.969 1.00 0.00 O ATOM 337 CB GLU A 24 4.184 7.352 -11.722 1.00 0.00 C ATOM 338 CG GLU A 24 4.793 7.812 -13.036 1.00 0.00 C ATOM 339 CD GLU A 24 5.432 6.677 -13.812 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.441 6.122 -13.328 1.00 0.00 O ATOM 341 OE2 GLU A 24 4.923 6.343 -14.902 1.00 0.00 O ATOM 0 H GLU A 24 2.562 9.070 -9.988 1.00 0.00 H new ATOM 0 HA GLU A 24 2.236 7.705 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.739 7.800 -10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.301 6.272 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.019 8.275 -13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.543 8.578 -12.836 1.00 0.00 H new ATOM 348 N GLY A 25 0.677 6.615 -10.805 1.00 0.00 N ATOM 349 CA GLY A 25 -0.089 5.662 -10.024 1.00 0.00 C ATOM 350 C GLY A 25 0.405 4.239 -10.198 1.00 0.00 C ATOM 351 O GLY A 25 1.217 3.960 -11.081 1.00 0.00 O ATOM 0 H GLY A 25 0.121 7.218 -11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.037 5.935 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.138 5.717 -10.316 1.00 0.00 H new ATOM 355 N LEU A 26 -0.085 3.337 -9.355 1.00 0.00 N ATOM 356 CA LEU A 26 0.312 1.935 -9.419 1.00 0.00 C ATOM 357 C LEU A 26 -0.079 1.319 -10.758 1.00 0.00 C ATOM 358 O LEU A 26 -1.061 1.728 -11.378 1.00 0.00 O ATOM 359 CB LEU A 26 -0.333 1.149 -8.276 1.00 0.00 C ATOM 360 CG LEU A 26 0.010 1.619 -6.862 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.981 1.052 -5.856 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.432 1.218 -6.496 1.00 0.00 C ATOM 0 H LEU A 26 -0.758 3.551 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 26 1.396 1.885 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.415 1.190 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.041 0.103 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.058 2.707 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.721 1.397 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.987 1.389 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.946 -0.037 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.658 1.561 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.527 0.133 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.130 1.673 -7.199 1.00 0.00 H new ATOM 374 N ARG A 27 0.695 0.332 -11.198 1.00 0.00 N ATOM 375 CA ARG A 27 0.430 -0.341 -12.464 1.00 0.00 C ATOM 376 C ARG A 27 0.255 -1.843 -12.254 1.00 0.00 C ATOM 377 O ARG A 27 0.412 -2.347 -11.143 1.00 0.00 O ATOM 378 CB ARG A 27 1.568 -0.083 -13.452 1.00 0.00 C ATOM 379 CG ARG A 27 1.603 1.341 -13.982 1.00 0.00 C ATOM 380 CD ARG A 27 0.603 1.541 -15.110 1.00 0.00 C ATOM 381 NE ARG A 27 1.112 2.442 -16.140 1.00 0.00 N ATOM 382 CZ ARG A 27 2.059 2.106 -17.008 1.00 0.00 C ATOM 383 NH1 ARG A 27 2.597 0.894 -16.972 1.00 0.00 N ATOM 384 NH2 ARG A 27 2.469 2.982 -17.917 1.00 0.00 N ATOM 0 H ARG A 27 1.511 -0.019 -10.696 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.496 0.062 -12.874 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.518 -0.304 -12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.472 -0.772 -14.291 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.384 2.037 -13.172 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.607 1.573 -14.339 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.364 0.576 -15.558 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.326 1.942 -14.704 1.00 0.00 H new ATOM 0 HE ARG A 27 0.718 3.381 -16.196 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.283 0.217 -16.276 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.324 0.639 -17.640 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.057 3.914 -17.949 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.197 2.723 -18.583 1.00 0.00 H new ATOM 398 N ASN A 28 -0.073 -2.551 -13.330 1.00 0.00 N ATOM 399 CA ASN A 28 -0.270 -3.994 -13.264 1.00 0.00 C ATOM 400 C ASN A 28 1.068 -4.724 -13.196 1.00 0.00 C ATOM 401 O ASN A 28 1.755 -4.874 -14.205 1.00 0.00 O ATOM 402 CB ASN A 28 -1.066 -4.477 -14.479 1.00 0.00 C ATOM 403 CG ASN A 28 -2.299 -3.632 -14.735 1.00 0.00 C ATOM 404 OD1 ASN A 28 -3.083 -3.366 -13.824 1.00 0.00 O ATOM 405 ND2 ASN A 28 -2.475 -3.205 -15.980 1.00 0.00 N ATOM 0 H ASN A 28 -0.208 -2.149 -14.258 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.832 -4.218 -12.357 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.426 -4.457 -15.361 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.365 -5.514 -14.325 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.286 -2.632 -16.213 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.799 -3.450 -16.704 1.00 0.00 H new ATOM 412 N GLU A 29 1.429 -5.176 -11.999 1.00 0.00 N ATOM 413 CA GLU A 29 2.685 -5.890 -11.800 1.00 0.00 C ATOM 414 C GLU A 29 2.441 -7.390 -11.656 1.00 0.00 C ATOM 415 O GLU A 29 1.488 -7.813 -11.003 1.00 0.00 O ATOM 416 CB GLU A 29 3.408 -5.358 -10.561 1.00 0.00 C ATOM 417 CG GLU A 29 4.868 -5.775 -10.484 1.00 0.00 C ATOM 418 CD GLU A 29 5.691 -5.234 -11.636 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.235 -4.275 -12.293 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.792 -5.770 -11.880 1.00 0.00 O ATOM 0 H GLU A 29 0.870 -5.061 -11.153 1.00 0.00 H new ATOM 0 HA GLU A 29 3.311 -5.724 -12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.349 -4.270 -10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.890 -5.710 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.293 -5.425 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.931 -6.863 -10.477 1.00 0.00 H new ATOM 427 N GLU A 30 3.309 -8.186 -12.272 1.00 0.00 N ATOM 428 CA GLU A 30 3.187 -9.638 -12.213 1.00 0.00 C ATOM 429 C GLU A 30 4.449 -10.267 -11.628 1.00 0.00 C ATOM 430 O GLU A 30 5.565 -9.896 -11.990 1.00 0.00 O ATOM 431 CB GLU A 30 2.921 -10.207 -13.608 1.00 0.00 C ATOM 432 CG GLU A 30 2.967 -11.724 -13.666 1.00 0.00 C ATOM 433 CD GLU A 30 4.213 -12.243 -14.357 1.00 0.00 C ATOM 434 OE1 GLU A 30 4.298 -12.121 -15.597 1.00 0.00 O ATOM 435 OE2 GLU A 30 5.103 -12.772 -13.659 1.00 0.00 O ATOM 0 H GLU A 30 4.103 -7.851 -12.817 1.00 0.00 H new ATOM 0 HA GLU A 30 2.346 -9.880 -11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.942 -9.868 -13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.658 -9.803 -14.302 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.924 -12.124 -12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.085 -12.091 -14.191 1.00 0.00 H new ATOM 442 N ALA A 31 4.262 -11.220 -10.721 1.00 0.00 N ATOM 443 CA ALA A 31 5.383 -11.902 -10.087 1.00 0.00 C ATOM 444 C ALA A 31 5.213 -13.416 -10.150 1.00 0.00 C ATOM 445 O ALA A 31 4.161 -13.917 -10.551 1.00 0.00 O ATOM 446 CB ALA A 31 5.530 -11.445 -8.643 1.00 0.00 C ATOM 0 H ALA A 31 3.344 -11.537 -10.409 1.00 0.00 H new ATOM 0 HA ALA A 31 6.290 -11.642 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.371 -11.962 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.707 -10.370 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.617 -11.675 -8.094 1.00 0.00 H new ATOM 452 N THR A 32 6.253 -14.141 -9.752 1.00 0.00 N ATOM 453 CA THR A 32 6.219 -15.598 -9.766 1.00 0.00 C ATOM 454 C THR A 32 6.223 -16.161 -8.349 1.00 0.00 C ATOM 455 O THR A 32 6.788 -15.561 -7.435 1.00 0.00 O ATOM 456 CB THR A 32 7.415 -16.181 -10.541 1.00 0.00 C ATOM 457 OG1 THR A 32 7.503 -15.575 -11.835 1.00 0.00 O ATOM 458 CG2 THR A 32 7.281 -17.689 -10.690 1.00 0.00 C ATOM 0 H THR A 32 7.130 -13.743 -9.416 1.00 0.00 H new ATOM 0 HA THR A 32 5.295 -15.888 -10.267 1.00 0.00 H new ATOM 0 HB THR A 32 8.323 -15.967 -9.977 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.267 -15.950 -12.321 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.138 -18.078 -11.241 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.244 -18.150 -9.703 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.365 -17.921 -11.233 1.00 0.00 H new ATOM 466 N GLU A 33 5.590 -17.317 -8.174 1.00 0.00 N ATOM 467 CA GLU A 33 5.521 -17.960 -6.867 1.00 0.00 C ATOM 468 C GLU A 33 6.920 -18.196 -6.303 1.00 0.00 C ATOM 469 O GLU A 33 7.852 -18.517 -7.039 1.00 0.00 O ATOM 470 CB GLU A 33 4.769 -19.288 -6.966 1.00 0.00 C ATOM 471 CG GLU A 33 3.556 -19.370 -6.055 1.00 0.00 C ATOM 472 CD GLU A 33 3.149 -20.799 -5.752 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.421 -21.684 -6.589 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.557 -21.031 -4.677 1.00 0.00 O ATOM 0 H GLU A 33 5.118 -17.827 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 33 4.982 -17.296 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.449 -19.439 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.452 -20.102 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.772 -18.852 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.720 -18.849 -6.522 1.00 0.00 H new ATOM 481 N GLY A 34 7.057 -18.033 -4.991 1.00 0.00 N ATOM 482 CA GLY A 34 8.344 -18.231 -4.350 1.00 0.00 C ATOM 483 C GLY A 34 9.339 -17.142 -4.697 1.00 0.00 C ATOM 484 O GLY A 34 10.548 -17.329 -4.558 1.00 0.00 O ATOM 0 H GLY A 34 6.300 -17.768 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.207 -18.262 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.750 -19.198 -4.648 1.00 0.00 H new ATOM 488 N ALA A 35 8.831 -16.002 -5.152 1.00 0.00 N ATOM 489 CA ALA A 35 9.683 -14.878 -5.520 1.00 0.00 C ATOM 490 C ALA A 35 9.416 -13.671 -4.628 1.00 0.00 C ATOM 491 O ALA A 35 8.703 -13.769 -3.628 1.00 0.00 O ATOM 492 CB ALA A 35 9.473 -14.513 -6.982 1.00 0.00 C ATOM 0 H ALA A 35 7.833 -15.832 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 35 10.721 -15.179 -5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.116 -13.672 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.722 -15.368 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.431 -14.237 -7.142 1.00 0.00 H new ATOM 498 N THR A 36 9.992 -12.530 -4.995 1.00 0.00 N ATOM 499 CA THR A 36 9.817 -11.304 -4.227 1.00 0.00 C ATOM 500 C THR A 36 9.152 -10.219 -5.067 1.00 0.00 C ATOM 501 O THR A 36 9.748 -9.696 -6.007 1.00 0.00 O ATOM 502 CB THR A 36 11.165 -10.774 -3.700 1.00 0.00 C ATOM 503 OG1 THR A 36 11.873 -11.822 -3.028 1.00 0.00 O ATOM 504 CG2 THR A 36 10.952 -9.607 -2.748 1.00 0.00 C ATOM 0 H THR A 36 10.584 -12.430 -5.820 1.00 0.00 H new ATOM 0 HA THR A 36 9.175 -11.550 -3.381 1.00 0.00 H new ATOM 0 HB THR A 36 11.752 -10.426 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.729 -11.479 -2.697 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.917 -9.250 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.438 -8.800 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.348 -9.934 -1.901 1.00 0.00 H new ATOM 512 N ALA A 37 7.912 -9.887 -4.720 1.00 0.00 N ATOM 513 CA ALA A 37 7.167 -8.862 -5.441 1.00 0.00 C ATOM 514 C ALA A 37 7.251 -7.518 -4.726 1.00 0.00 C ATOM 515 O ALA A 37 7.125 -7.444 -3.504 1.00 0.00 O ATOM 516 CB ALA A 37 5.714 -9.285 -5.606 1.00 0.00 C ATOM 0 H ALA A 37 7.403 -10.313 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 37 7.615 -8.747 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.169 -8.511 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.668 -10.219 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.263 -9.429 -4.624 1.00 0.00 H new ATOM 522 N VAL A 38 7.464 -6.456 -5.497 1.00 0.00 N ATOM 523 CA VAL A 38 7.565 -5.113 -4.937 1.00 0.00 C ATOM 524 C VAL A 38 7.012 -4.072 -5.904 1.00 0.00 C ATOM 525 O VAL A 38 7.446 -3.983 -7.053 1.00 0.00 O ATOM 526 CB VAL A 38 9.024 -4.756 -4.595 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.912 -4.902 -5.821 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.107 -3.345 -4.031 1.00 0.00 C ATOM 0 H VAL A 38 7.570 -6.500 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 38 6.973 -5.106 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 38 9.381 -5.450 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.939 -4.645 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.875 -5.932 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.560 -4.234 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.144 -3.108 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.732 -2.636 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.504 -3.279 -3.125 1.00 0.00 H new ATOM 538 N LEU A 39 6.051 -3.286 -5.432 1.00 0.00 N ATOM 539 CA LEU A 39 5.438 -2.249 -6.254 1.00 0.00 C ATOM 540 C LEU A 39 6.048 -0.883 -5.953 1.00 0.00 C ATOM 541 O LEU A 39 6.474 -0.617 -4.830 1.00 0.00 O ATOM 542 CB LEU A 39 3.927 -2.209 -6.016 1.00 0.00 C ATOM 543 CG LEU A 39 3.139 -3.426 -6.501 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.162 -3.890 -5.431 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.403 -3.104 -7.794 1.00 0.00 C ATOM 0 H LEU A 39 5.679 -3.347 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 39 5.629 -2.489 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.751 -2.090 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.525 -1.322 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 39 3.842 -4.235 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.610 -4.757 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.711 -4.161 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.464 -3.085 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.847 -3.982 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.711 -2.280 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.123 -2.820 -8.561 1.00 0.00 H new ATOM 557 N ARG A 40 6.084 -0.022 -6.965 1.00 0.00 N ATOM 558 CA ARG A 40 6.640 1.317 -6.808 1.00 0.00 C ATOM 559 C ARG A 40 5.720 2.364 -7.429 1.00 0.00 C ATOM 560 O ARG A 40 5.217 2.183 -8.538 1.00 0.00 O ATOM 561 CB ARG A 40 8.026 1.394 -7.452 1.00 0.00 C ATOM 562 CG ARG A 40 8.922 0.215 -7.111 1.00 0.00 C ATOM 563 CD ARG A 40 10.281 0.335 -7.784 1.00 0.00 C ATOM 564 NE ARG A 40 10.694 -0.918 -8.410 1.00 0.00 N ATOM 565 CZ ARG A 40 10.168 -1.385 -9.537 1.00 0.00 C ATOM 566 NH1 ARG A 40 9.212 -0.706 -10.157 1.00 0.00 N ATOM 567 NH2 ARG A 40 10.597 -2.533 -10.045 1.00 0.00 N ATOM 0 H ARG A 40 5.735 -0.227 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 40 6.729 1.524 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.912 1.452 -8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.515 2.315 -7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.054 0.157 -6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.441 -0.712 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.244 1.122 -8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.026 0.634 -7.046 1.00 0.00 H new ATOM 0 HE ARG A 40 11.426 -1.465 -7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.879 0.177 -9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.810 -1.066 -11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.331 -3.058 -9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.192 -2.891 -10.910 1.00 0.00 H new ATOM 581 N CYS A 41 5.505 3.458 -6.706 1.00 0.00 N ATOM 582 CA CYS A 41 4.645 4.534 -7.185 1.00 0.00 C ATOM 583 C CYS A 41 5.140 5.888 -6.688 1.00 0.00 C ATOM 584 O CYS A 41 5.675 5.996 -5.585 1.00 0.00 O ATOM 585 CB CYS A 41 3.204 4.304 -6.728 1.00 0.00 C ATOM 586 SG CYS A 41 2.967 4.434 -4.940 1.00 0.00 S ATOM 0 H CYS A 41 5.914 3.623 -5.786 1.00 0.00 H new ATOM 0 HA CYS A 41 4.677 4.534 -8.275 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.557 5.028 -7.223 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.884 3.315 -7.055 1.00 0.00 H new ATOM 0 HG CYS A 41 1.763 4.858 -4.691 1.00 0.00 H new ATOM 592 N GLU A 42 4.958 6.917 -7.509 1.00 0.00 N ATOM 593 CA GLU A 42 5.388 8.264 -7.153 1.00 0.00 C ATOM 594 C GLU A 42 4.188 9.183 -6.950 1.00 0.00 C ATOM 595 O GLU A 42 3.105 8.936 -7.482 1.00 0.00 O ATOM 596 CB GLU A 42 6.304 8.834 -8.238 1.00 0.00 C ATOM 597 CG GLU A 42 7.002 10.121 -7.831 1.00 0.00 C ATOM 598 CD GLU A 42 7.962 10.624 -8.891 1.00 0.00 C ATOM 599 OE1 GLU A 42 7.962 10.064 -10.007 1.00 0.00 O ATOM 600 OE2 GLU A 42 8.714 11.580 -8.604 1.00 0.00 O ATOM 0 H GLU A 42 4.516 6.844 -8.425 1.00 0.00 H new ATOM 0 HA GLU A 42 5.940 8.205 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.056 8.088 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.717 9.018 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.254 10.888 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.547 9.956 -6.901 1.00 0.00 H new ATOM 607 N LEU A 43 4.387 10.245 -6.176 1.00 0.00 N ATOM 608 CA LEU A 43 3.321 11.202 -5.902 1.00 0.00 C ATOM 609 C LEU A 43 3.729 12.608 -6.328 1.00 0.00 C ATOM 610 O LEU A 43 4.894 12.861 -6.636 1.00 0.00 O ATOM 611 CB LEU A 43 2.969 11.190 -4.413 1.00 0.00 C ATOM 612 CG LEU A 43 2.076 10.041 -3.943 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.358 9.707 -2.487 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.609 10.394 -4.137 1.00 0.00 C ATOM 0 H LEU A 43 5.276 10.465 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 43 2.444 10.908 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.897 11.160 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.475 12.131 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 43 2.301 9.161 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.713 8.887 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.401 9.411 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.162 10.583 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.013 9.565 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.370 11.287 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.417 10.583 -5.193 1.00 0.00 H new ATOM 626 N SER A 44 2.763 13.521 -6.342 1.00 0.00 N ATOM 627 CA SER A 44 3.021 14.902 -6.732 1.00 0.00 C ATOM 628 C SER A 44 3.695 15.670 -5.599 1.00 0.00 C ATOM 629 O SER A 44 4.504 16.567 -5.836 1.00 0.00 O ATOM 630 CB SER A 44 1.716 15.595 -7.127 1.00 0.00 C ATOM 631 OG SER A 44 1.786 16.990 -6.885 1.00 0.00 O ATOM 0 H SER A 44 1.794 13.329 -6.088 1.00 0.00 H new ATOM 0 HA SER A 44 3.693 14.891 -7.590 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.510 15.416 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.888 15.166 -6.563 1.00 0.00 H new ATOM 0 HG SER A 44 0.940 17.410 -7.147 1.00 0.00 H new ATOM 637 N LYS A 45 3.356 15.310 -4.366 1.00 0.00 N ATOM 638 CA LYS A 45 3.928 15.963 -3.193 1.00 0.00 C ATOM 639 C LYS A 45 4.019 14.991 -2.021 1.00 0.00 C ATOM 640 O LYS A 45 3.231 14.052 -1.918 1.00 0.00 O ATOM 641 CB LYS A 45 3.085 17.177 -2.798 1.00 0.00 C ATOM 642 CG LYS A 45 3.898 18.447 -2.611 1.00 0.00 C ATOM 643 CD LYS A 45 3.554 19.141 -1.304 1.00 0.00 C ATOM 644 CE LYS A 45 2.225 19.876 -1.396 1.00 0.00 C ATOM 645 NZ LYS A 45 1.618 20.094 -0.054 1.00 0.00 N ATOM 0 H LYS A 45 2.688 14.569 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 45 4.935 16.295 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.329 17.349 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.555 16.955 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.961 18.206 -2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.712 19.125 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.509 18.405 -0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.344 19.846 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.375 20.837 -1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.536 19.304 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.714 20.598 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.451 19.176 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.264 20.661 0.531 1.00 0.00 H new ATOM 659 N MET A 46 4.985 15.226 -1.138 1.00 0.00 N ATOM 660 CA MET A 46 5.177 14.372 0.029 1.00 0.00 C ATOM 661 C MET A 46 3.922 14.347 0.896 1.00 0.00 C ATOM 662 O MET A 46 3.375 15.393 1.242 1.00 0.00 O ATOM 663 CB MET A 46 6.371 14.859 0.852 1.00 0.00 C ATOM 664 CG MET A 46 6.575 14.084 2.144 1.00 0.00 C ATOM 665 SD MET A 46 6.541 15.143 3.603 1.00 0.00 S ATOM 666 CE MET A 46 8.125 15.968 3.459 1.00 0.00 C ATOM 0 H MET A 46 5.646 16.000 -1.208 1.00 0.00 H new ATOM 0 HA MET A 46 5.375 13.359 -0.321 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.274 14.784 0.246 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.233 15.914 1.089 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.799 13.324 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.530 13.561 2.102 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.252 16.659 4.292 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.924 15.227 3.477 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.163 16.521 2.520 1.00 0.00 H new ATOM 676 N ALA A 47 3.472 13.145 1.243 1.00 0.00 N ATOM 677 CA ALA A 47 2.284 12.985 2.070 1.00 0.00 C ATOM 678 C ALA A 47 2.123 11.538 2.526 1.00 0.00 C ATOM 679 O ALA A 47 2.689 10.612 1.944 1.00 0.00 O ATOM 680 CB ALA A 47 1.046 13.442 1.312 1.00 0.00 C ATOM 0 H ALA A 47 3.913 12.269 0.964 1.00 0.00 H new ATOM 0 HA ALA A 47 2.403 13.607 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.166 13.316 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.152 14.493 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.932 12.845 0.407 1.00 0.00 H new ATOM 686 N PRO A 48 1.334 11.336 3.591 1.00 0.00 N ATOM 687 CA PRO A 48 1.081 10.004 4.148 1.00 0.00 C ATOM 688 C PRO A 48 0.223 9.144 3.227 1.00 0.00 C ATOM 689 O PRO A 48 -0.809 9.592 2.726 1.00 0.00 O ATOM 690 CB PRO A 48 0.336 10.300 5.452 1.00 0.00 C ATOM 691 CG PRO A 48 -0.306 11.626 5.229 1.00 0.00 C ATOM 692 CD PRO A 48 0.628 12.393 4.335 1.00 0.00 C ATOM 0 HA PRO A 48 2.003 9.439 4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.407 9.532 5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.019 10.329 6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.285 11.512 4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.460 12.149 6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.086 13.061 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.319 13.009 4.910 1.00 0.00 H new ATOM 700 N VAL A 49 0.655 7.906 3.008 1.00 0.00 N ATOM 701 CA VAL A 49 -0.076 6.983 2.148 1.00 0.00 C ATOM 702 C VAL A 49 -0.604 5.794 2.943 1.00 0.00 C ATOM 703 O VAL A 49 -0.098 5.480 4.019 1.00 0.00 O ATOM 704 CB VAL A 49 0.810 6.466 0.999 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.200 7.606 0.071 1.00 0.00 C ATOM 706 CG2 VAL A 49 2.045 5.770 1.551 1.00 0.00 C ATOM 0 H VAL A 49 1.507 7.519 3.414 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.915 7.537 1.728 1.00 0.00 H new ATOM 0 HB VAL A 49 0.239 5.739 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.826 7.222 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.301 8.056 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.753 8.359 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.660 5.411 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.621 6.473 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.741 4.926 2.171 1.00 0.00 H new ATOM 716 N GLU A 50 -1.626 5.136 2.403 1.00 0.00 N ATOM 717 CA GLU A 50 -2.223 3.980 3.063 1.00 0.00 C ATOM 718 C GLU A 50 -2.460 2.848 2.068 1.00 0.00 C ATOM 719 O GLU A 50 -3.203 3.004 1.099 1.00 0.00 O ATOM 720 CB GLU A 50 -3.543 4.372 3.730 1.00 0.00 C ATOM 721 CG GLU A 50 -3.369 5.270 4.943 1.00 0.00 C ATOM 722 CD GLU A 50 -4.384 6.395 4.987 1.00 0.00 C ATOM 723 OE1 GLU A 50 -5.495 6.171 5.514 1.00 0.00 O ATOM 724 OE2 GLU A 50 -4.070 7.499 4.496 1.00 0.00 O ATOM 0 H GLU A 50 -2.057 5.383 1.512 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.528 3.630 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.173 4.880 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.071 3.467 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.457 4.671 5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.364 5.692 4.936 1.00 0.00 H new ATOM 731 N TRP A 51 -1.823 1.709 2.314 1.00 0.00 N ATOM 732 CA TRP A 51 -1.963 0.550 1.440 1.00 0.00 C ATOM 733 C TRP A 51 -3.148 -0.311 1.864 1.00 0.00 C ATOM 734 O TRP A 51 -3.172 -0.845 2.973 1.00 0.00 O ATOM 735 CB TRP A 51 -0.680 -0.283 1.453 1.00 0.00 C ATOM 736 CG TRP A 51 0.525 0.475 0.984 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.288 1.337 1.719 1.00 0.00 C ATOM 738 CD2 TRP A 51 1.103 0.441 -0.325 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.306 1.840 0.945 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.215 1.305 -0.313 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.791 -0.237 -1.507 1.00 0.00 C ATOM 742 CZ2 TRP A 51 3.013 1.508 -1.435 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.583 -0.035 -2.620 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.684 0.832 -2.579 1.00 0.00 C ATOM 0 H TRP A 51 -1.204 1.563 3.112 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.143 0.910 0.427 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.501 -0.646 2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.818 -1.160 0.820 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.117 1.587 2.756 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.015 2.504 1.257 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.055 -0.907 -1.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.862 2.175 -1.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.350 -0.554 -3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.284 0.969 -3.467 1.00 0.00 H new ATOM 755 N TRP A 52 -4.126 -0.442 0.976 1.00 0.00 N ATOM 756 CA TRP A 52 -5.314 -1.240 1.259 1.00 0.00 C ATOM 757 C TRP A 52 -5.408 -2.431 0.313 1.00 0.00 C ATOM 758 O TRP A 52 -4.957 -2.366 -0.831 1.00 0.00 O ATOM 759 CB TRP A 52 -6.572 -0.378 1.141 1.00 0.00 C ATOM 760 CG TRP A 52 -6.742 0.584 2.278 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.144 1.804 2.415 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.563 0.405 3.437 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.544 2.394 3.590 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.415 1.557 4.234 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.411 -0.615 3.877 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.083 1.713 5.446 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.072 -0.458 5.080 1.00 0.00 C ATOM 768 CH2 TRP A 52 -8.906 0.699 5.853 1.00 0.00 C ATOM 0 H TRP A 52 -4.120 -0.006 0.054 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.234 -1.616 2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.535 0.180 0.205 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.446 -1.028 1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.458 2.241 1.705 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.241 3.308 3.928 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.547 -1.510 3.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.956 2.603 6.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.728 -1.241 5.431 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.438 0.792 6.788 1.00 0.00 H new ATOM 779 N LYS A 53 -5.996 -3.520 0.796 1.00 0.00 N ATOM 780 CA LYS A 53 -6.152 -4.727 -0.007 1.00 0.00 C ATOM 781 C LYS A 53 -7.540 -5.331 0.180 1.00 0.00 C ATOM 782 O LYS A 53 -7.811 -5.988 1.184 1.00 0.00 O ATOM 783 CB LYS A 53 -5.082 -5.755 0.368 1.00 0.00 C ATOM 784 CG LYS A 53 -5.233 -7.082 -0.355 1.00 0.00 C ATOM 785 CD LYS A 53 -4.070 -8.014 -0.059 1.00 0.00 C ATOM 786 CE LYS A 53 -4.172 -9.304 -0.859 1.00 0.00 C ATOM 787 NZ LYS A 53 -5.257 -10.188 -0.350 1.00 0.00 N ATOM 0 H LYS A 53 -6.373 -3.592 1.741 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.033 -4.453 -1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.099 -5.340 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.120 -5.930 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.167 -7.557 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.296 -6.907 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.131 -7.512 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.050 -8.246 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.358 -9.068 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.221 -9.835 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.072 -11.169 -0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.289 -10.136 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.170 -9.877 -0.740 1.00 0.00 H new ATOM 801 N GLY A 54 -8.416 -5.104 -0.794 1.00 0.00 N ATOM 802 CA GLY A 54 -9.764 -5.633 -0.717 1.00 0.00 C ATOM 803 C GLY A 54 -10.588 -4.967 0.367 1.00 0.00 C ATOM 804 O GLY A 54 -11.009 -3.819 0.219 1.00 0.00 O ATOM 0 H GLY A 54 -8.215 -4.563 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.259 -5.499 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.720 -6.706 -0.528 1.00 0.00 H new ATOM 808 N HIS A 55 -10.821 -5.688 1.459 1.00 0.00 N ATOM 809 CA HIS A 55 -11.601 -5.159 2.572 1.00 0.00 C ATOM 810 C HIS A 55 -10.773 -5.134 3.853 1.00 0.00 C ATOM 811 O HIS A 55 -11.243 -5.539 4.915 1.00 0.00 O ATOM 812 CB HIS A 55 -12.862 -5.999 2.783 1.00 0.00 C ATOM 813 CG HIS A 55 -13.772 -6.022 1.594 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.870 -7.101 0.742 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.630 -5.089 1.118 1.00 0.00 C ATOM 816 CE1 HIS A 55 -14.748 -6.831 -0.208 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.224 -5.616 -0.002 1.00 0.00 N ATOM 0 H HIS A 55 -10.481 -6.640 1.597 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.890 -4.137 2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.571 -7.021 3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.409 -5.609 3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.813 -4.112 1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -15.029 -7.491 -1.015 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.920 -5.146 -0.581 1.00 0.00 H new ATOM 825 N GLU A 56 -9.537 -4.655 3.743 1.00 0.00 N ATOM 826 CA GLU A 56 -8.644 -4.578 4.893 1.00 0.00 C ATOM 827 C GLU A 56 -7.373 -3.810 4.544 1.00 0.00 C ATOM 828 O GLU A 56 -7.030 -3.653 3.371 1.00 0.00 O ATOM 829 CB GLU A 56 -8.285 -5.983 5.383 1.00 0.00 C ATOM 830 CG GLU A 56 -7.609 -5.999 6.743 1.00 0.00 C ATOM 831 CD GLU A 56 -7.695 -7.353 7.421 1.00 0.00 C ATOM 832 OE1 GLU A 56 -7.185 -8.338 6.848 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.272 -7.426 8.526 1.00 0.00 O ATOM 0 H GLU A 56 -9.132 -4.315 2.871 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.164 -4.045 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.193 -6.585 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.627 -6.456 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.562 -5.721 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.070 -5.246 7.383 1.00 0.00 H new ATOM 840 N THR A 57 -6.677 -3.331 5.570 1.00 0.00 N ATOM 841 CA THR A 57 -5.445 -2.577 5.374 1.00 0.00 C ATOM 842 C THR A 57 -4.221 -3.469 5.548 1.00 0.00 C ATOM 843 O THR A 57 -4.288 -4.513 6.198 1.00 0.00 O ATOM 844 CB THR A 57 -5.348 -1.394 6.355 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.642 -1.092 6.889 1.00 0.00 O ATOM 846 CG2 THR A 57 -4.779 -0.163 5.664 1.00 0.00 C ATOM 0 H THR A 57 -6.946 -3.452 6.546 1.00 0.00 H new ATOM 0 HA THR A 57 -5.469 -2.192 4.354 1.00 0.00 H new ATOM 0 HB THR A 57 -4.678 -1.678 7.167 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.231 -0.788 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.720 0.660 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.782 -0.387 5.285 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.427 0.121 4.835 1.00 0.00 H new ATOM 854 N LEU A 58 -3.103 -3.051 4.964 1.00 0.00 N ATOM 855 CA LEU A 58 -1.862 -3.812 5.056 1.00 0.00 C ATOM 856 C LEU A 58 -0.924 -3.203 6.093 1.00 0.00 C ATOM 857 O LEU A 58 -0.822 -1.981 6.210 1.00 0.00 O ATOM 858 CB LEU A 58 -1.170 -3.862 3.693 1.00 0.00 C ATOM 859 CG LEU A 58 -2.037 -4.310 2.515 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.321 -4.055 1.198 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.401 -5.781 2.650 1.00 0.00 C ATOM 0 H LEU A 58 -3.031 -2.190 4.422 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.109 -4.826 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.776 -2.870 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.316 -4.535 3.766 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.957 -3.726 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.953 -4.380 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.112 -2.990 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.384 -4.612 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.018 -6.082 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.491 -6.381 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.955 -5.935 3.576 1.00 0.00 H new ATOM 873 N ARG A 59 -0.241 -4.061 6.842 1.00 0.00 N ATOM 874 CA ARG A 59 0.690 -3.607 7.869 1.00 0.00 C ATOM 875 C ARG A 59 2.130 -3.685 7.371 1.00 0.00 C ATOM 876 O ARG A 59 2.394 -4.200 6.284 1.00 0.00 O ATOM 877 CB ARG A 59 0.532 -4.447 9.138 1.00 0.00 C ATOM 878 CG ARG A 59 -0.382 -3.816 10.176 1.00 0.00 C ATOM 879 CD ARG A 59 0.039 -4.188 11.589 1.00 0.00 C ATOM 880 NE ARG A 59 -0.899 -3.687 12.590 1.00 0.00 N ATOM 881 CZ ARG A 59 -0.734 -3.850 13.898 1.00 0.00 C ATOM 882 NH1 ARG A 59 0.327 -4.497 14.360 1.00 0.00 N ATOM 883 NH2 ARG A 59 -1.632 -3.365 14.746 1.00 0.00 N ATOM 0 H ARG A 59 -0.314 -5.075 6.758 1.00 0.00 H new ATOM 0 HA ARG A 59 0.459 -2.567 8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.139 -5.427 8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.515 -4.608 9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.367 -2.732 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.408 -4.140 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.112 -5.272 11.672 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.032 -3.785 11.789 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.726 -3.185 12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.019 -4.871 13.711 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.451 -4.621 15.365 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.449 -2.867 14.394 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.505 -3.490 15.750 1.00 0.00 H new ATOM 897 N ASP A 60 3.056 -3.171 8.172 1.00 0.00 N ATOM 898 CA ASP A 60 4.469 -3.182 7.813 1.00 0.00 C ATOM 899 C ASP A 60 5.272 -4.031 8.794 1.00 0.00 C ATOM 900 O ASP A 60 5.041 -3.988 10.002 1.00 0.00 O ATOM 901 CB ASP A 60 5.021 -1.756 7.782 1.00 0.00 C ATOM 902 CG ASP A 60 4.942 -1.075 9.134 1.00 0.00 C ATOM 903 OD1 ASP A 60 3.824 -0.971 9.682 1.00 0.00 O ATOM 904 OD2 ASP A 60 5.997 -0.647 9.646 1.00 0.00 O ATOM 0 H ASP A 60 2.854 -2.741 9.075 1.00 0.00 H new ATOM 0 HA ASP A 60 4.563 -3.620 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.059 -1.778 7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.465 -1.170 7.050 1.00 0.00 H new ATOM 909 N GLY A 61 6.217 -4.803 8.266 1.00 0.00 N ATOM 910 CA GLY A 61 7.039 -5.651 9.109 1.00 0.00 C ATOM 911 C GLY A 61 6.633 -7.110 9.036 1.00 0.00 C ATOM 912 O GLY A 61 5.683 -7.462 8.336 1.00 0.00 O ATOM 0 H GLY A 61 6.428 -4.856 7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.083 -5.552 8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.969 -5.309 10.142 1.00 0.00 H new ATOM 916 N ASP A 62 7.353 -7.960 9.759 1.00 0.00 N ATOM 917 CA ASP A 62 7.063 -9.389 9.772 1.00 0.00 C ATOM 918 C ASP A 62 7.397 -10.024 8.426 1.00 0.00 C ATOM 919 O ASP A 62 8.411 -10.707 8.285 1.00 0.00 O ATOM 920 CB ASP A 62 5.591 -9.629 10.112 1.00 0.00 C ATOM 921 CG ASP A 62 5.412 -10.340 11.439 1.00 0.00 C ATOM 922 OD1 ASP A 62 6.184 -10.049 12.376 1.00 0.00 O ATOM 923 OD2 ASP A 62 4.501 -11.188 11.540 1.00 0.00 O ATOM 0 H ASP A 62 8.142 -7.684 10.344 1.00 0.00 H new ATOM 0 HA ASP A 62 7.685 -9.854 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.067 -8.673 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.130 -10.221 9.321 1.00 0.00 H new ATOM 928 N ARG A 63 6.537 -9.794 7.439 1.00 0.00 N ATOM 929 CA ARG A 63 6.739 -10.346 6.105 1.00 0.00 C ATOM 930 C ARG A 63 6.541 -9.274 5.038 1.00 0.00 C ATOM 931 O ARG A 63 6.537 -9.566 3.842 1.00 0.00 O ATOM 932 CB ARG A 63 5.776 -11.509 5.859 1.00 0.00 C ATOM 933 CG ARG A 63 5.840 -12.588 6.928 1.00 0.00 C ATOM 934 CD ARG A 63 5.055 -13.825 6.518 1.00 0.00 C ATOM 935 NE ARG A 63 4.547 -14.558 7.674 1.00 0.00 N ATOM 936 CZ ARG A 63 3.858 -15.691 7.581 1.00 0.00 C ATOM 937 NH1 ARG A 63 3.598 -16.216 6.392 1.00 0.00 N ATOM 938 NH2 ARG A 63 3.430 -16.300 8.679 1.00 0.00 N ATOM 0 H ARG A 63 5.694 -9.229 7.538 1.00 0.00 H new ATOM 0 HA ARG A 63 7.764 -10.713 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.758 -11.122 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.999 -11.956 4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.880 -12.859 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.443 -12.198 7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.221 -13.531 5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.694 -14.480 5.925 1.00 0.00 H new ATOM 0 HE ARG A 63 4.731 -14.180 8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.927 -15.751 5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.069 -17.085 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.630 -15.899 9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.901 -17.169 8.607 1.00 0.00 H new ATOM 952 N HIS A 64 6.376 -8.030 5.479 1.00 0.00 N ATOM 953 CA HIS A 64 6.178 -6.914 4.561 1.00 0.00 C ATOM 954 C HIS A 64 7.177 -5.795 4.842 1.00 0.00 C ATOM 955 O HIS A 64 7.639 -5.632 5.971 1.00 0.00 O ATOM 956 CB HIS A 64 4.750 -6.379 4.676 1.00 0.00 C ATOM 957 CG HIS A 64 3.705 -7.370 4.266 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.491 -8.558 4.933 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.809 -7.344 3.252 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.510 -9.220 4.345 1.00 0.00 C ATOM 961 NE2 HIS A 64 2.079 -8.505 3.322 1.00 0.00 N ATOM 0 H HIS A 64 6.376 -7.770 6.465 1.00 0.00 H new ATOM 0 HA HIS A 64 6.342 -7.277 3.546 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.566 -6.075 5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.654 -5.486 4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.690 -6.556 2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.126 -10.182 4.649 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.326 -8.772 2.687 1.00 0.00 H new ATOM 969 N SER A 65 7.505 -5.028 3.808 1.00 0.00 N ATOM 970 CA SER A 65 8.453 -3.928 3.943 1.00 0.00 C ATOM 971 C SER A 65 7.900 -2.654 3.310 1.00 0.00 C ATOM 972 O SER A 65 7.851 -2.527 2.085 1.00 0.00 O ATOM 973 CB SER A 65 9.789 -4.295 3.295 1.00 0.00 C ATOM 974 OG SER A 65 9.863 -5.686 3.032 1.00 0.00 O ATOM 0 H SER A 65 7.129 -5.148 2.868 1.00 0.00 H new ATOM 0 HA SER A 65 8.612 -3.746 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.911 -3.739 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.608 -4.002 3.952 1.00 0.00 H new ATOM 0 HG SER A 65 10.726 -5.895 2.616 1.00 0.00 H new ATOM 980 N LEU A 66 7.485 -1.715 4.152 1.00 0.00 N ATOM 981 CA LEU A 66 6.936 -0.450 3.676 1.00 0.00 C ATOM 982 C LEU A 66 7.976 0.663 3.763 1.00 0.00 C ATOM 983 O LEU A 66 8.446 1.003 4.849 1.00 0.00 O ATOM 984 CB LEU A 66 5.697 -0.071 4.490 1.00 0.00 C ATOM 985 CG LEU A 66 4.397 -0.777 4.102 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.390 -2.206 4.621 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.195 -0.009 4.632 1.00 0.00 C ATOM 0 H LEU A 66 7.518 -1.805 5.167 1.00 0.00 H new ATOM 0 HA LEU A 66 6.653 -0.576 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.900 -0.278 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.543 1.004 4.401 1.00 0.00 H new ATOM 0 HG LEU A 66 4.333 -0.807 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.457 -2.692 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.230 -2.753 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.477 -2.199 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.279 -0.526 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.253 0.053 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.191 0.996 4.211 1.00 0.00 H new ATOM 999 N ARG A 67 8.328 1.228 2.613 1.00 0.00 N ATOM 1000 CA ARG A 67 9.311 2.303 2.560 1.00 0.00 C ATOM 1001 C ARG A 67 8.717 3.552 1.915 1.00 0.00 C ATOM 1002 O ARG A 67 8.048 3.471 0.886 1.00 0.00 O ATOM 1003 CB ARG A 67 10.549 1.853 1.781 1.00 0.00 C ATOM 1004 CG ARG A 67 11.067 0.486 2.197 1.00 0.00 C ATOM 1005 CD ARG A 67 12.325 0.111 1.430 1.00 0.00 C ATOM 1006 NE ARG A 67 13.456 -0.137 2.321 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.724 -0.101 1.927 1.00 0.00 C ATOM 1008 NH1 ARG A 67 15.021 0.171 0.664 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.697 -0.337 2.797 1.00 0.00 N ATOM 0 H ARG A 67 7.947 0.959 1.706 1.00 0.00 H new ATOM 0 HA ARG A 67 9.602 2.546 3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.311 1.834 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.341 2.589 1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.278 0.485 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.296 -0.265 2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.133 -0.780 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.579 0.912 0.736 1.00 0.00 H new ATOM 0 HE ARG A 67 13.261 -0.349 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.275 0.353 -0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.995 0.198 0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.472 -0.546 3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.670 -0.309 2.493 1.00 0.00 H new ATOM 1023 N GLN A 68 8.967 4.704 2.529 1.00 0.00 N ATOM 1024 CA GLN A 68 8.455 5.969 2.015 1.00 0.00 C ATOM 1025 C GLN A 68 9.568 7.008 1.921 1.00 0.00 C ATOM 1026 O GLN A 68 10.125 7.429 2.935 1.00 0.00 O ATOM 1027 CB GLN A 68 7.329 6.489 2.909 1.00 0.00 C ATOM 1028 CG GLN A 68 6.074 6.877 2.144 1.00 0.00 C ATOM 1029 CD GLN A 68 5.315 8.011 2.804 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.065 7.988 4.009 1.00 0.00 O ATOM 1031 NE2 GLN A 68 4.945 9.013 2.015 1.00 0.00 N ATOM 0 H GLN A 68 9.520 4.788 3.382 1.00 0.00 H new ATOM 0 HA GLN A 68 8.061 5.793 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.075 5.723 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.688 7.355 3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.347 7.169 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.421 6.008 2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.174 8.991 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.432 9.805 2.403 1.00 0.00 H new ATOM 1040 N ASP A 69 9.886 7.418 0.698 1.00 0.00 N ATOM 1041 CA ASP A 69 10.932 8.409 0.472 1.00 0.00 C ATOM 1042 C ASP A 69 10.343 9.703 -0.083 1.00 0.00 C ATOM 1043 O ASP A 69 10.355 9.934 -1.291 1.00 0.00 O ATOM 1044 CB ASP A 69 11.986 7.860 -0.490 1.00 0.00 C ATOM 1045 CG ASP A 69 12.977 6.943 0.199 1.00 0.00 C ATOM 1046 OD1 ASP A 69 12.706 6.531 1.346 1.00 0.00 O ATOM 1047 OD2 ASP A 69 14.025 6.638 -0.409 1.00 0.00 O ATOM 0 H ASP A 69 9.435 7.080 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 69 11.405 8.627 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.491 7.316 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.522 8.690 -0.949 1.00 0.00 H new ATOM 1052 N GLY A 70 9.828 10.544 0.810 1.00 0.00 N ATOM 1053 CA GLY A 70 9.241 11.803 0.390 1.00 0.00 C ATOM 1054 C GLY A 70 7.912 11.617 -0.313 1.00 0.00 C ATOM 1055 O GLY A 70 6.860 11.610 0.326 1.00 0.00 O ATOM 0 H GLY A 70 9.807 10.376 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.101 12.444 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.932 12.318 -0.277 1.00 0.00 H new ATOM 1059 N ALA A 71 7.957 11.467 -1.633 1.00 0.00 N ATOM 1060 CA ALA A 71 6.747 11.280 -2.423 1.00 0.00 C ATOM 1061 C ALA A 71 6.687 9.875 -3.012 1.00 0.00 C ATOM 1062 O ALA A 71 5.606 9.325 -3.221 1.00 0.00 O ATOM 1063 CB ALA A 71 6.673 12.322 -3.529 1.00 0.00 C ATOM 0 H ALA A 71 8.819 11.471 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 71 5.889 11.405 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.764 12.171 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.660 13.319 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.542 12.224 -4.180 1.00 0.00 H new ATOM 1069 N ARG A 72 7.855 9.300 -3.277 1.00 0.00 N ATOM 1070 CA ARG A 72 7.935 7.959 -3.844 1.00 0.00 C ATOM 1071 C ARG A 72 7.746 6.899 -2.763 1.00 0.00 C ATOM 1072 O ARG A 72 8.420 6.923 -1.732 1.00 0.00 O ATOM 1073 CB ARG A 72 9.282 7.756 -4.542 1.00 0.00 C ATOM 1074 CG ARG A 72 9.219 7.933 -6.050 1.00 0.00 C ATOM 1075 CD ARG A 72 10.114 6.934 -6.766 1.00 0.00 C ATOM 1076 NE ARG A 72 9.603 6.592 -8.090 1.00 0.00 N ATOM 1077 CZ ARG A 72 9.740 7.374 -9.155 1.00 0.00 C ATOM 1078 NH1 ARG A 72 10.369 8.537 -9.052 1.00 0.00 N ATOM 1079 NH2 ARG A 72 9.247 6.993 -10.327 1.00 0.00 N ATOM 0 H ARG A 72 8.759 9.741 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 72 7.134 7.854 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.004 8.462 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.651 6.755 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.190 7.810 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.522 8.947 -6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.117 7.349 -6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.199 6.028 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 72 9.114 5.704 -8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.749 8.833 -8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.473 9.135 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.763 6.099 -10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.353 7.594 -11.144 1.00 0.00 H new ATOM 1093 N CYS A 73 6.826 5.972 -3.004 1.00 0.00 N ATOM 1094 CA CYS A 73 6.547 4.905 -2.050 1.00 0.00 C ATOM 1095 C CYS A 73 6.976 3.552 -2.608 1.00 0.00 C ATOM 1096 O CYS A 73 7.042 3.363 -3.822 1.00 0.00 O ATOM 1097 CB CYS A 73 5.057 4.878 -1.705 1.00 0.00 C ATOM 1098 SG CYS A 73 4.391 6.476 -1.184 1.00 0.00 S ATOM 0 H CYS A 73 6.260 5.938 -3.852 1.00 0.00 H new ATOM 0 HA CYS A 73 7.119 5.102 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.500 4.530 -2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.892 4.151 -0.910 1.00 0.00 H new ATOM 0 HG CYS A 73 3.597 6.936 -2.105 1.00 0.00 H new ATOM 1104 N GLU A 74 7.270 2.614 -1.712 1.00 0.00 N ATOM 1105 CA GLU A 74 7.696 1.279 -2.115 1.00 0.00 C ATOM 1106 C GLU A 74 7.197 0.228 -1.129 1.00 0.00 C ATOM 1107 O GLU A 74 7.392 0.353 0.081 1.00 0.00 O ATOM 1108 CB GLU A 74 9.221 1.216 -2.217 1.00 0.00 C ATOM 1109 CG GLU A 74 9.722 0.746 -3.573 1.00 0.00 C ATOM 1110 CD GLU A 74 11.232 0.815 -3.694 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.916 -0.027 -3.076 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.729 1.712 -4.407 1.00 0.00 O ATOM 0 H GLU A 74 7.221 2.754 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 74 7.265 1.067 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.632 2.204 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.601 0.545 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.394 -0.280 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.270 1.357 -4.355 1.00 0.00 H new ATOM 1119 N LEU A 75 6.553 -0.809 -1.654 1.00 0.00 N ATOM 1120 CA LEU A 75 6.025 -1.883 -0.820 1.00 0.00 C ATOM 1121 C LEU A 75 6.559 -3.238 -1.275 1.00 0.00 C ATOM 1122 O LEU A 75 6.189 -3.736 -2.337 1.00 0.00 O ATOM 1123 CB LEU A 75 4.496 -1.885 -0.864 1.00 0.00 C ATOM 1124 CG LEU A 75 3.808 -3.117 -0.274 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.313 -3.387 1.134 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.297 -2.937 -0.276 1.00 0.00 C ATOM 0 H LEU A 75 6.384 -0.929 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 75 6.353 -1.708 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.136 -1.004 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.182 -1.781 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 75 4.051 -3.978 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.812 -4.267 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.389 -3.562 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.101 -2.526 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.824 -3.823 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.034 -2.065 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.949 -2.794 -1.299 1.00 0.00 H new ATOM 1138 N GLN A 76 7.430 -3.827 -0.462 1.00 0.00 N ATOM 1139 CA GLN A 76 8.014 -5.125 -0.780 1.00 0.00 C ATOM 1140 C GLN A 76 7.303 -6.242 -0.024 1.00 0.00 C ATOM 1141 O GLN A 76 6.851 -6.050 1.105 1.00 0.00 O ATOM 1142 CB GLN A 76 9.506 -5.133 -0.442 1.00 0.00 C ATOM 1143 CG GLN A 76 10.183 -6.468 -0.708 1.00 0.00 C ATOM 1144 CD GLN A 76 11.654 -6.320 -1.043 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.509 -6.341 -0.158 1.00 0.00 O ATOM 1146 NE2 GLN A 76 11.956 -6.170 -2.328 1.00 0.00 N ATOM 0 H GLN A 76 7.747 -3.427 0.421 1.00 0.00 H new ATOM 0 HA GLN A 76 7.890 -5.299 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.006 -4.359 -1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.633 -4.873 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.077 -7.106 0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.676 -6.971 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.214 -6.158 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.929 -6.066 -2.614 1.00 0.00 H new ATOM 1155 N ILE A 77 7.207 -7.408 -0.654 1.00 0.00 N ATOM 1156 CA ILE A 77 6.551 -8.556 -0.040 1.00 0.00 C ATOM 1157 C ILE A 77 7.352 -9.833 -0.267 1.00 0.00 C ATOM 1158 O ILE A 77 7.400 -10.358 -1.380 1.00 0.00 O ATOM 1159 CB ILE A 77 5.126 -8.752 -0.591 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.289 -7.492 -0.360 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.468 -9.959 0.059 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.032 -7.440 -1.200 1.00 0.00 C ATOM 0 H ILE A 77 7.575 -7.583 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 77 6.493 -8.352 1.029 1.00 0.00 H new ATOM 0 HB ILE A 77 5.189 -8.932 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.015 -7.436 0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.899 -6.615 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.462 -10.084 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.056 -10.852 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.414 -9.807 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.488 -6.520 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.299 -7.465 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.402 -8.298 -0.965 1.00 0.00 H new ATOM 1174 N ARG A 78 7.979 -10.329 0.794 1.00 0.00 N ATOM 1175 CA ARG A 78 8.778 -11.546 0.711 1.00 0.00 C ATOM 1176 C ARG A 78 7.946 -12.769 1.087 1.00 0.00 C ATOM 1177 O ARG A 78 7.088 -12.702 1.965 1.00 0.00 O ATOM 1178 CB ARG A 78 9.998 -11.444 1.628 1.00 0.00 C ATOM 1179 CG ARG A 78 11.242 -10.919 0.931 1.00 0.00 C ATOM 1180 CD ARG A 78 12.508 -11.513 1.529 1.00 0.00 C ATOM 1181 NE ARG A 78 13.578 -11.627 0.542 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.825 -11.971 0.846 1.00 0.00 C ATOM 1183 NH1 ARG A 78 15.156 -12.234 2.102 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.744 -12.052 -0.108 1.00 0.00 N ATOM 0 H ARG A 78 7.949 -9.907 1.722 1.00 0.00 H new ATOM 0 HA ARG A 78 9.115 -11.660 -0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.758 -10.790 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.213 -12.429 2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.193 -11.158 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.275 -9.833 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.844 -10.890 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.287 -12.498 1.940 1.00 0.00 H new ATOM 0 HE ARG A 78 13.356 -11.432 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.453 -12.173 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.114 -12.498 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.493 -11.850 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.701 -12.316 0.127 1.00 0.00 H new ATOM 1198 N GLY A 79 8.208 -13.885 0.414 1.00 0.00 N ATOM 1199 CA GLY A 79 7.475 -15.107 0.690 1.00 0.00 C ATOM 1200 C GLY A 79 6.167 -15.184 -0.072 1.00 0.00 C ATOM 1201 O GLY A 79 5.119 -15.473 0.506 1.00 0.00 O ATOM 0 H GLY A 79 8.915 -13.965 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.095 -15.965 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.273 -15.172 1.759 1.00 0.00 H new ATOM 1205 N LEU A 80 6.227 -14.923 -1.374 1.00 0.00 N ATOM 1206 CA LEU A 80 5.037 -14.963 -2.217 1.00 0.00 C ATOM 1207 C LEU A 80 4.349 -16.321 -2.125 1.00 0.00 C ATOM 1208 O LEU A 80 4.925 -17.288 -1.624 1.00 0.00 O ATOM 1209 CB LEU A 80 5.408 -14.664 -3.671 1.00 0.00 C ATOM 1210 CG LEU A 80 5.622 -13.190 -4.019 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.201 -13.051 -5.418 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.314 -12.420 -3.903 1.00 0.00 C ATOM 0 H LEU A 80 7.086 -14.682 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 80 4.344 -14.201 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.320 -15.210 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.621 -15.058 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 80 6.334 -12.768 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.346 -11.996 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.159 -13.569 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.513 -13.489 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.485 -11.373 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.581 -12.843 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.939 -12.492 -2.882 1.00 0.00 H new ATOM 1224 N VAL A 81 3.115 -16.388 -2.615 1.00 0.00 N ATOM 1225 CA VAL A 81 2.350 -17.629 -2.591 1.00 0.00 C ATOM 1226 C VAL A 81 1.210 -17.591 -3.602 1.00 0.00 C ATOM 1227 O VAL A 81 1.294 -18.196 -4.671 1.00 0.00 O ATOM 1228 CB VAL A 81 1.770 -17.905 -1.191 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.608 -18.944 -0.461 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.686 -16.616 -0.387 1.00 0.00 C ATOM 0 H VAL A 81 2.624 -15.598 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 81 3.040 -18.431 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 81 0.761 -18.302 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.183 -19.126 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.613 -19.873 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.629 -18.578 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.274 -16.829 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.683 -16.189 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.041 -15.906 -0.904 1.00 0.00 H new ATOM 1240 N ALA A 82 0.144 -16.875 -3.258 1.00 0.00 N ATOM 1241 CA ALA A 82 -1.012 -16.755 -4.137 1.00 0.00 C ATOM 1242 C ALA A 82 -2.092 -15.882 -3.507 1.00 0.00 C ATOM 1243 O ALA A 82 -2.803 -15.159 -4.204 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.570 -18.132 -4.466 1.00 0.00 C ATOM 0 H ALA A 82 0.058 -16.369 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.687 -16.276 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.433 -18.027 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.804 -18.725 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.873 -18.631 -3.546 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.210 -15.956 -2.185 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.205 -15.172 -1.462 1.00 0.00 C ATOM 1252 C GLU A 83 -2.911 -13.679 -1.577 1.00 0.00 C ATOM 1253 O GLU A 83 -3.825 -12.862 -1.693 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.240 -15.584 0.011 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.214 -16.713 0.304 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.655 -16.241 0.355 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.999 -15.489 1.290 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -6.437 -16.625 -0.539 1.00 0.00 O ATOM 0 H GLU A 83 -1.630 -16.550 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.179 -15.368 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.240 -15.889 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.508 -14.718 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.114 -17.482 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.953 -17.175 1.256 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.629 -13.331 -1.545 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.213 -11.937 -1.646 1.00 0.00 C ATOM 1267 C ASP A 84 -1.728 -11.308 -2.937 1.00 0.00 C ATOM 1268 O ASP A 84 -2.008 -10.111 -2.987 1.00 0.00 O ATOM 1269 CB ASP A 84 0.312 -11.833 -1.585 1.00 0.00 C ATOM 1270 CG ASP A 84 0.842 -11.906 -0.167 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.651 -10.930 0.588 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.448 -12.938 0.188 1.00 0.00 O ATOM 0 H ASP A 84 -0.860 -13.995 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.641 -11.393 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.752 -12.637 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.627 -10.894 -2.040 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.848 -12.124 -3.979 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.330 -11.648 -5.270 1.00 0.00 C ATOM 1279 C ALA A 85 -3.759 -11.126 -5.164 1.00 0.00 C ATOM 1280 O ALA A 85 -4.624 -11.772 -4.574 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.247 -12.758 -6.306 1.00 0.00 C ATOM 0 H ALA A 85 -1.618 -13.117 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.692 -10.823 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.610 -12.388 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.211 -13.082 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.860 -13.601 -5.986 1.00 0.00 H new ATOM 1287 N GLY A 86 -3.999 -9.952 -5.740 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.325 -9.363 -5.698 1.00 0.00 C ATOM 1289 C GLY A 86 -5.336 -7.924 -6.174 1.00 0.00 C ATOM 1290 O GLY A 86 -4.608 -7.565 -7.100 1.00 0.00 O ATOM 0 H GLY A 86 -3.299 -9.399 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.001 -9.952 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.707 -9.408 -4.678 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.164 -7.099 -5.542 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.267 -5.692 -5.909 1.00 0.00 C ATOM 1296 C GLU A 87 -5.666 -4.801 -4.825 1.00 0.00 C ATOM 1297 O GLU A 87 -6.250 -4.628 -3.755 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.730 -5.309 -6.145 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.941 -3.822 -6.375 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.406 -3.455 -6.512 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -10.115 -3.453 -5.483 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.844 -3.171 -7.646 1.00 0.00 O ATOM 0 H GLU A 87 -6.773 -7.380 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.706 -5.542 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.106 -5.858 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.322 -5.623 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.507 -3.265 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.408 -3.518 -7.276 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.497 -4.240 -5.111 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.814 -3.369 -4.161 1.00 0.00 C ATOM 1311 C TYR A 88 -4.312 -1.932 -4.283 1.00 0.00 C ATOM 1312 O TYR A 88 -4.833 -1.530 -5.324 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.303 -3.419 -4.387 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.644 -4.654 -3.814 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.688 -5.866 -4.492 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.978 -4.608 -2.596 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.089 -6.997 -3.973 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.375 -5.734 -2.069 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.433 -6.926 -2.761 1.00 0.00 C ATOM 1320 OH TYR A 88 0.166 -8.050 -2.241 1.00 0.00 O ATOM 0 H TYR A 88 -4.002 -4.372 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.036 -3.726 -3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.103 -3.374 -5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.848 -2.535 -3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.200 -5.925 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.931 -3.676 -2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.134 -7.932 -4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.139 -5.681 -1.121 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.410 -8.828 -2.394 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.146 -1.163 -3.213 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.577 0.231 -3.199 1.00 0.00 C ATOM 1332 C LEU A 89 -3.489 1.132 -2.624 1.00 0.00 C ATOM 1333 O LEU A 89 -2.468 0.651 -2.131 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.863 0.380 -2.383 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.004 1.139 -3.061 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.271 0.299 -3.073 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.249 2.468 -2.362 1.00 0.00 C ATOM 0 H LEU A 89 -3.716 -1.480 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.769 0.536 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.221 -0.616 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.620 0.887 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.718 1.341 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.072 0.856 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.089 -0.627 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.562 0.065 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.064 2.995 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.514 2.288 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.345 3.075 -2.407 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.715 2.439 -2.689 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.754 3.408 -2.173 1.00 0.00 C ATOM 1351 C CYS A 90 -3.366 4.804 -2.117 1.00 0.00 C ATOM 1352 O CYS A 90 -3.256 5.579 -3.066 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.497 3.423 -3.043 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.025 4.052 -2.202 1.00 0.00 S ATOM 0 H CYS A 90 -4.555 2.853 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.482 3.110 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.298 2.410 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.687 4.033 -3.926 1.00 0.00 H new ATOM 0 HG CYS A 90 0.971 4.083 -3.036 1.00 0.00 H new ATOM 1360 N MET A 91 -4.013 5.116 -0.999 1.00 0.00 N ATOM 1361 CA MET A 91 -4.643 6.419 -0.819 1.00 0.00 C ATOM 1362 C MET A 91 -3.659 7.422 -0.227 1.00 0.00 C ATOM 1363 O MET A 91 -2.980 7.132 0.759 1.00 0.00 O ATOM 1364 CB MET A 91 -5.870 6.296 0.086 1.00 0.00 C ATOM 1365 CG MET A 91 -6.884 5.273 -0.400 1.00 0.00 C ATOM 1366 SD MET A 91 -8.464 5.398 0.459 1.00 0.00 S ATOM 1367 CE MET A 91 -8.239 4.188 1.760 1.00 0.00 C ATOM 0 H MET A 91 -4.115 4.485 -0.204 1.00 0.00 H new ATOM 0 HA MET A 91 -4.958 6.780 -1.798 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.545 6.024 1.090 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.355 7.269 0.161 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.045 5.407 -1.470 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.478 4.271 -0.262 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.072 4.248 2.461 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.202 3.189 1.325 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.306 4.390 2.287 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.586 8.601 -0.835 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.683 9.647 -0.368 1.00 0.00 C ATOM 1379 C CYS A 92 -3.427 10.966 -0.185 1.00 0.00 C ATOM 1380 O CYS A 92 -3.609 11.725 -1.136 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.529 9.831 -1.354 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.335 11.098 -0.865 1.00 0.00 S ATOM 0 H CYS A 92 -4.141 8.856 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.281 9.341 0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.008 8.881 -1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.938 10.090 -2.331 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.955 12.221 -0.656 1.00 0.00 H new ATOM 1388 N GLY A 93 -3.856 11.232 1.045 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.577 12.459 1.331 1.00 0.00 C ATOM 1390 C GLY A 93 -6.003 12.426 0.818 1.00 0.00 C ATOM 1391 O GLY A 93 -6.932 12.114 1.563 1.00 0.00 O ATOM 0 H GLY A 93 -3.717 10.620 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.585 12.630 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.051 13.300 0.879 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.179 12.749 -0.459 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.502 12.756 -1.072 1.00 0.00 C ATOM 1397 C LYS A 94 -7.561 11.786 -2.248 1.00 0.00 C ATOM 1398 O LYS A 94 -8.516 11.022 -2.386 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.861 14.167 -1.542 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.042 14.772 -0.803 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.317 14.687 -1.624 1.00 0.00 C ATOM 1402 CE LYS A 94 -11.432 13.997 -0.852 1.00 0.00 C ATOM 1403 NZ LYS A 94 -11.800 14.747 0.380 1.00 0.00 N ATOM 0 H LYS A 94 -5.421 13.010 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.225 12.435 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.994 14.815 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.086 14.140 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.184 14.253 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.829 15.815 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.636 15.690 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.121 14.142 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.309 13.897 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.117 12.989 -0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.735 14.435 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.093 14.566 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.829 15.765 0.171 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.535 11.822 -3.091 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.472 10.945 -4.255 1.00 0.00 C ATOM 1419 C GLU A 95 -6.276 9.492 -3.831 1.00 0.00 C ATOM 1420 O GLU A 95 -6.075 9.200 -2.652 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.334 11.374 -5.184 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.804 12.147 -6.404 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.362 11.245 -7.487 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -5.563 10.565 -8.164 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -7.599 11.218 -7.658 1.00 0.00 O ATOM 0 H GLU A 95 -5.736 12.448 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.418 11.025 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.631 11.989 -4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.791 10.488 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.569 12.863 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.971 12.722 -6.809 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.338 8.585 -4.801 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.170 7.163 -4.529 1.00 0.00 C ATOM 1434 C ARG A 96 -5.962 6.383 -5.823 1.00 0.00 C ATOM 1435 O ARG A 96 -6.560 6.697 -6.853 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.388 6.617 -3.781 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.680 6.705 -4.577 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.867 6.206 -3.768 1.00 0.00 C ATOM 1439 NE ARG A 96 -11.045 7.050 -3.949 1.00 0.00 N ATOM 1440 CZ ARG A 96 -12.149 6.937 -3.218 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -12.224 6.021 -2.262 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -13.180 7.742 -3.442 1.00 0.00 N ATOM 0 H ARG A 96 -6.503 8.810 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.285 7.040 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.204 5.576 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.508 7.167 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.853 7.738 -4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.587 6.117 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.104 5.184 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.600 6.178 -2.712 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.019 7.765 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.433 5.401 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.072 5.936 -1.702 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.126 8.448 -4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.027 7.654 -2.880 1.00 0.00 H new ATOM 1456 N THR A 97 -5.110 5.364 -5.764 1.00 0.00 N ATOM 1457 CA THR A 97 -4.822 4.540 -6.931 1.00 0.00 C ATOM 1458 C THR A 97 -4.718 3.067 -6.552 1.00 0.00 C ATOM 1459 O THR A 97 -4.103 2.717 -5.545 1.00 0.00 O ATOM 1460 CB THR A 97 -3.514 4.975 -7.618 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.268 4.158 -8.767 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.339 4.874 -6.656 1.00 0.00 C ATOM 0 H THR A 97 -4.607 5.090 -4.920 1.00 0.00 H new ATOM 0 HA THR A 97 -5.651 4.676 -7.626 1.00 0.00 H new ATOM 0 HB THR A 97 -3.621 6.014 -7.929 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.922 4.714 -9.496 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.426 5.186 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.516 5.520 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.232 3.843 -6.319 1.00 0.00 H new ATOM 1470 N SER A 98 -5.322 2.207 -7.366 1.00 0.00 N ATOM 1471 CA SER A 98 -5.300 0.771 -7.114 1.00 0.00 C ATOM 1472 C SER A 98 -4.827 0.010 -8.349 1.00 0.00 C ATOM 1473 O SER A 98 -5.134 0.387 -9.479 1.00 0.00 O ATOM 1474 CB SER A 98 -6.690 0.282 -6.701 1.00 0.00 C ATOM 1475 OG SER A 98 -7.674 1.268 -6.961 1.00 0.00 O ATOM 0 H SER A 98 -5.833 2.480 -8.206 1.00 0.00 H new ATOM 0 HA SER A 98 -4.600 0.581 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.934 -0.632 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.691 0.033 -5.640 1.00 0.00 H new ATOM 0 HG SER A 98 -8.554 0.932 -6.690 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.077 -1.064 -8.123 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.563 -1.880 -9.216 1.00 0.00 C ATOM 1483 C ALA A 99 -3.817 -3.362 -8.961 1.00 0.00 C ATOM 1484 O ALA A 99 -4.136 -3.763 -7.842 1.00 0.00 O ATOM 1485 CB ALA A 99 -2.076 -1.624 -9.412 1.00 0.00 C ATOM 0 H ALA A 99 -3.812 -1.389 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.092 -1.599 -10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.706 -2.240 -10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.916 -0.572 -9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.540 -1.876 -8.497 1.00 0.00 H new ATOM 1491 N MET A 100 -3.675 -4.171 -10.006 1.00 0.00 N ATOM 1492 CA MET A 100 -3.889 -5.609 -9.895 1.00 0.00 C ATOM 1493 C MET A 100 -2.564 -6.362 -9.961 1.00 0.00 C ATOM 1494 O MET A 100 -1.880 -6.348 -10.985 1.00 0.00 O ATOM 1495 CB MET A 100 -4.821 -6.095 -11.005 1.00 0.00 C ATOM 1496 CG MET A 100 -6.296 -5.937 -10.673 1.00 0.00 C ATOM 1497 SD MET A 100 -7.214 -7.481 -10.832 1.00 0.00 S ATOM 1498 CE MET A 100 -6.524 -8.426 -9.476 1.00 0.00 C ATOM 0 H MET A 100 -3.413 -3.855 -10.940 1.00 0.00 H new ATOM 0 HA MET A 100 -4.353 -5.809 -8.929 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.602 -5.544 -11.919 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.613 -7.146 -11.209 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.397 -5.562 -9.654 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.735 -5.189 -11.333 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.899 -9.448 -9.517 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.437 -8.435 -9.555 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.815 -7.970 -8.530 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.207 -7.019 -8.863 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.963 -7.779 -8.796 1.00 0.00 C ATOM 1510 C LEU A 101 -1.203 -9.247 -9.134 1.00 0.00 C ATOM 1511 O LEU A 101 -2.121 -9.876 -8.606 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.344 -7.659 -7.403 1.00 0.00 C ATOM 1513 CG LEU A 101 0.926 -8.476 -7.160 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.112 -7.843 -7.872 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.203 -8.602 -5.669 1.00 0.00 C ATOM 0 H LEU A 101 -2.761 -7.041 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.272 -7.365 -9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.118 -6.609 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.091 -7.959 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 101 0.775 -9.476 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.007 -8.438 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.915 -7.805 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.265 -6.832 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.110 -9.186 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.334 -7.609 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.364 -9.101 -5.184 1.00 0.00 H new ATOM 1527 N THR A 102 -0.370 -9.790 -10.016 1.00 0.00 N ATOM 1528 CA THR A 102 -0.490 -11.184 -10.424 1.00 0.00 C ATOM 1529 C THR A 102 0.612 -12.035 -9.803 1.00 0.00 C ATOM 1530 O THR A 102 1.702 -11.542 -9.513 1.00 0.00 O ATOM 1531 CB THR A 102 -0.433 -11.328 -11.956 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.233 -10.313 -12.574 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.923 -12.701 -12.390 1.00 0.00 C ATOM 0 H THR A 102 0.396 -9.285 -10.462 1.00 0.00 H new ATOM 0 HA THR A 102 -1.459 -11.535 -10.070 1.00 0.00 H new ATOM 0 HB THR A 102 0.604 -11.214 -12.271 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.190 -10.411 -13.548 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.873 -12.779 -13.476 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.294 -13.470 -11.942 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.954 -12.840 -12.063 1.00 0.00 H new ATOM 1541 N VAL A 103 0.322 -13.317 -9.604 1.00 0.00 N ATOM 1542 CA VAL A 103 1.289 -14.238 -9.019 1.00 0.00 C ATOM 1543 C VAL A 103 1.218 -15.606 -9.687 1.00 0.00 C ATOM 1544 O VAL A 103 0.292 -16.380 -9.443 1.00 0.00 O ATOM 1545 CB VAL A 103 1.061 -14.405 -7.505 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.107 -15.333 -6.906 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.078 -13.051 -6.811 1.00 0.00 C ATOM 0 H VAL A 103 -0.575 -13.741 -9.839 1.00 0.00 H new ATOM 0 HA VAL A 103 2.277 -13.807 -9.184 1.00 0.00 H new ATOM 0 HB VAL A 103 0.080 -14.855 -7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.930 -15.439 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.042 -16.311 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.100 -14.915 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.915 -13.188 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.043 -12.571 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.287 -12.422 -7.221 1.00 0.00 H new ATOM 1557 N ARG A 104 2.203 -15.898 -10.530 1.00 0.00 N ATOM 1558 CA ARG A 104 2.252 -17.174 -11.235 1.00 0.00 C ATOM 1559 C ARG A 104 2.626 -18.307 -10.283 1.00 0.00 C ATOM 1560 O ARG A 104 2.780 -18.095 -9.080 1.00 0.00 O ATOM 1561 CB ARG A 104 3.258 -17.107 -12.385 1.00 0.00 C ATOM 1562 CG ARG A 104 2.936 -16.037 -13.415 1.00 0.00 C ATOM 1563 CD ARG A 104 1.702 -16.399 -14.227 1.00 0.00 C ATOM 1564 NE ARG A 104 0.950 -15.215 -14.636 1.00 0.00 N ATOM 1565 CZ ARG A 104 -0.200 -15.269 -15.298 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -0.728 -16.440 -15.624 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -0.825 -14.148 -15.636 1.00 0.00 N ATOM 0 H ARG A 104 2.978 -15.269 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 104 1.260 -17.375 -11.640 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.251 -16.919 -11.977 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.295 -18.077 -12.881 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.775 -15.083 -12.912 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.787 -15.906 -14.083 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.002 -16.961 -15.111 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.058 -17.052 -13.637 1.00 0.00 H new ATOM 0 HE ARG A 104 1.329 -14.298 -14.400 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.251 -17.304 -15.366 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.611 -16.477 -16.132 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.422 -13.245 -15.387 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.708 -14.190 -16.144 1.00 0.00 H new ATOM 1581 N ALA A 105 2.769 -19.509 -10.830 1.00 0.00 N ATOM 1582 CA ALA A 105 3.126 -20.674 -10.030 1.00 0.00 C ATOM 1583 C ALA A 105 4.591 -21.048 -10.227 1.00 0.00 C ATOM 1584 O ALA A 105 5.149 -20.862 -11.308 1.00 0.00 O ATOM 1585 CB ALA A 105 2.227 -21.851 -10.381 1.00 0.00 C ATOM 0 H ALA A 105 2.643 -19.702 -11.824 1.00 0.00 H new ATOM 0 HA ALA A 105 2.981 -20.421 -8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.505 -22.714 -9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.188 -21.588 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.343 -22.095 -11.437 1.00 0.00 H new ATOM 1591 N MET A 106 5.209 -21.575 -9.175 1.00 0.00 N ATOM 1592 CA MET A 106 6.611 -21.975 -9.234 1.00 0.00 C ATOM 1593 C MET A 106 6.862 -22.901 -10.420 1.00 0.00 C ATOM 1594 O MET A 106 5.943 -23.507 -10.971 1.00 0.00 O ATOM 1595 CB MET A 106 7.020 -22.669 -7.934 1.00 0.00 C ATOM 1596 CG MET A 106 7.883 -21.805 -7.029 1.00 0.00 C ATOM 1597 SD MET A 106 9.095 -22.764 -6.102 1.00 0.00 S ATOM 1598 CE MET A 106 8.021 -23.786 -5.097 1.00 0.00 C ATOM 0 H MET A 106 4.762 -21.735 -8.272 1.00 0.00 H new ATOM 0 HA MET A 106 7.215 -21.077 -9.363 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.122 -22.965 -7.392 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.562 -23.583 -8.175 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.400 -21.058 -7.632 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.243 -21.264 -6.332 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.624 -24.399 -4.428 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.359 -23.150 -4.509 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.425 -24.432 -5.742 1.00 0.00 H new ATOM 1608 N PRO A 107 8.136 -23.014 -10.824 1.00 0.00 N ATOM 1609 CA PRO A 107 8.538 -23.865 -11.948 1.00 0.00 C ATOM 1610 C PRO A 107 8.405 -25.350 -11.628 1.00 0.00 C ATOM 1611 O PRO A 107 8.604 -25.769 -10.488 1.00 0.00 O ATOM 1612 CB PRO A 107 10.007 -23.495 -12.166 1.00 0.00 C ATOM 1613 CG PRO A 107 10.472 -22.994 -10.842 1.00 0.00 C ATOM 1614 CD PRO A 107 9.283 -22.321 -10.213 1.00 0.00 C ATOM 0 HA PRO A 107 7.909 -23.706 -12.824 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.589 -24.358 -12.489 1.00 0.00 H new ATOM 0 HB3 PRO A 107 10.113 -22.732 -12.937 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.832 -23.813 -10.219 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.300 -22.295 -10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.287 -22.430 -9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.267 -21.252 -10.426 1.00 0.00 H new