USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 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 68 GLN : amide:sc= 0.278 X(o=0.094,f=-0.4) USER MOD Set 1.2: A 73 CYS SG : rot -120:sc= -0.183 USER MOD Set 2.1: A 41 CYS SG : rot 160:sc= -0.0823 USER MOD Set 2.2: A 90 CYS SG : rot 122:sc= 0.0197 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 177:sc= 0.327 USER MOD Single : A 28 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.21) 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+ -148:sc= -0.174 (180deg=-1.56!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 57 THR OG1 : rot -73:sc= 1.05 USER MOD Single : A 64 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-1.4) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot -30:sc= 0.274 USER MOD Single : A 91 MET CE :methyl 165:sc= -0.523 (180deg=-0.814) USER MOD Single : A 92 CYS SG : rot 120:sc= -0.43 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 120:sc= 0.331 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -146:sc= -0.953 (180deg=-1.78) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.510 17.808 -3.220 1.00 0.00 N ATOM 259 CA ILE A 20 -1.517 16.880 -3.748 1.00 0.00 C ATOM 260 C ILE A 20 -2.176 15.777 -4.568 1.00 0.00 C ATOM 261 O ILE A 20 -3.129 15.140 -4.120 1.00 0.00 O ATOM 262 CB ILE A 20 -0.689 16.240 -2.618 1.00 0.00 C ATOM 263 CG1 ILE A 20 0.002 17.322 -1.786 1.00 0.00 C ATOM 264 CG2 ILE A 20 0.335 15.273 -3.195 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.539 16.817 -0.464 1.00 0.00 C ATOM 0 HA ILE A 20 -0.854 17.459 -4.391 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.361 15.682 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.823 17.745 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.704 18.130 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.913 14.828 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.179 14.487 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.005 15.810 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.016 17.638 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.281 16.420 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.270 16.029 -0.645 1.00 0.00 H new ATOM 277 N LYS A 21 -1.661 15.555 -5.773 1.00 0.00 N ATOM 278 CA LYS A 21 -2.196 14.527 -6.657 1.00 0.00 C ATOM 279 C LYS A 21 -1.137 13.475 -6.972 1.00 0.00 C ATOM 280 O LYS A 21 -0.015 13.540 -6.469 1.00 0.00 O ATOM 281 CB LYS A 21 -2.706 15.156 -7.955 1.00 0.00 C ATOM 282 CG LYS A 21 -3.727 16.260 -7.736 1.00 0.00 C ATOM 283 CD LYS A 21 -4.226 16.828 -9.054 1.00 0.00 C ATOM 284 CE LYS A 21 -5.527 17.595 -8.873 1.00 0.00 C ATOM 285 NZ LYS A 21 -5.567 18.824 -9.714 1.00 0.00 N ATOM 0 H LYS A 21 -0.873 16.074 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.026 14.040 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.860 15.560 -8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.152 14.378 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.569 15.870 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.281 17.057 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.469 17.488 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.376 16.017 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.368 16.951 -9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.645 17.868 -7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.469 19.319 -9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.780 19.451 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.480 18.562 -10.717 1.00 0.00 H new ATOM 299 N PHE A 22 -1.500 12.508 -7.807 1.00 0.00 N ATOM 300 CA PHE A 22 -0.581 11.442 -8.190 1.00 0.00 C ATOM 301 C PHE A 22 0.060 11.737 -9.543 1.00 0.00 C ATOM 302 O PHE A 22 -0.626 12.076 -10.508 1.00 0.00 O ATOM 303 CB PHE A 22 -1.315 10.101 -8.241 1.00 0.00 C ATOM 304 CG PHE A 22 -1.230 9.322 -6.960 1.00 0.00 C ATOM 305 CD1 PHE A 22 -0.165 8.469 -6.721 1.00 0.00 C ATOM 306 CD2 PHE A 22 -2.216 9.443 -5.994 1.00 0.00 C ATOM 307 CE1 PHE A 22 -0.085 7.750 -5.543 1.00 0.00 C ATOM 308 CE2 PHE A 22 -2.141 8.727 -4.814 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.074 7.880 -4.588 1.00 0.00 C ATOM 0 H PHE A 22 -2.425 12.440 -8.232 1.00 0.00 H new ATOM 0 HA PHE A 22 0.207 11.388 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.364 10.279 -8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.901 9.500 -9.051 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.612 8.364 -7.464 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.053 10.104 -6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.750 7.087 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.916 8.830 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.013 7.320 -3.666 1.00 0.00 H new ATOM 319 N THR A 23 1.381 11.605 -9.606 1.00 0.00 N ATOM 320 CA THR A 23 2.116 11.858 -10.839 1.00 0.00 C ATOM 321 C THR A 23 2.303 10.575 -11.641 1.00 0.00 C ATOM 322 O THR A 23 2.451 10.612 -12.862 1.00 0.00 O ATOM 323 CB THR A 23 3.498 12.476 -10.553 1.00 0.00 C ATOM 324 OG1 THR A 23 4.319 11.536 -9.850 1.00 0.00 O ATOM 325 CG2 THR A 23 3.361 13.750 -9.733 1.00 0.00 C ATOM 0 H THR A 23 1.964 11.324 -8.817 1.00 0.00 H new ATOM 0 HA THR A 23 1.523 12.564 -11.420 1.00 0.00 H new ATOM 0 HB THR A 23 3.965 12.724 -11.506 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.211 11.918 -9.714 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.349 14.169 -9.543 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.760 14.474 -10.283 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.876 13.522 -8.784 1.00 0.00 H new ATOM 333 N GLU A 24 2.293 9.441 -10.946 1.00 0.00 N ATOM 334 CA GLU A 24 2.461 8.147 -11.596 1.00 0.00 C ATOM 335 C GLU A 24 1.795 7.040 -10.784 1.00 0.00 C ATOM 336 O GLU A 24 2.444 6.360 -9.991 1.00 0.00 O ATOM 337 CB GLU A 24 3.948 7.834 -11.781 1.00 0.00 C ATOM 338 CG GLU A 24 4.467 8.150 -13.174 1.00 0.00 C ATOM 339 CD GLU A 24 5.599 7.234 -13.596 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.096 6.471 -12.742 1.00 0.00 O ATOM 341 OE2 GLU A 24 5.988 7.280 -14.782 1.00 0.00 O ATOM 0 H GLU A 24 2.170 9.393 -9.935 1.00 0.00 H new ATOM 0 HA GLU A 24 1.982 8.195 -12.574 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.524 8.402 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.118 6.778 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.650 8.065 -13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.811 9.184 -13.204 1.00 0.00 H new ATOM 348 N GLY A 25 0.492 6.866 -10.989 1.00 0.00 N ATOM 349 CA GLY A 25 -0.241 5.842 -10.269 1.00 0.00 C ATOM 350 C GLY A 25 0.365 4.463 -10.443 1.00 0.00 C ATOM 351 O GLY A 25 1.217 4.256 -11.309 1.00 0.00 O ATOM 0 H GLY A 25 -0.068 7.416 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.264 6.094 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.274 5.828 -10.616 1.00 0.00 H new ATOM 355 N LEU A 26 -0.074 3.518 -9.620 1.00 0.00 N ATOM 356 CA LEU A 26 0.432 2.151 -9.686 1.00 0.00 C ATOM 357 C LEU A 26 0.221 1.558 -11.075 1.00 0.00 C ATOM 358 O LEU A 26 -0.386 2.187 -11.943 1.00 0.00 O ATOM 359 CB LEU A 26 -0.259 1.279 -8.636 1.00 0.00 C ATOM 360 CG LEU A 26 -0.162 1.765 -7.190 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.312 1.212 -6.363 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.175 1.367 -6.582 1.00 0.00 C ATOM 0 H LEU A 26 -0.779 3.672 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 26 1.502 2.176 -9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.313 1.195 -8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.164 0.276 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.230 2.853 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.226 1.569 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.259 1.548 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.276 0.123 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.226 1.721 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.273 0.282 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.985 1.813 -7.160 1.00 0.00 H new ATOM 374 N ARG A 27 0.723 0.345 -11.278 1.00 0.00 N ATOM 375 CA ARG A 27 0.587 -0.333 -12.562 1.00 0.00 C ATOM 376 C ARG A 27 0.529 -1.846 -12.374 1.00 0.00 C ATOM 377 O ARG A 27 1.150 -2.393 -11.464 1.00 0.00 O ATOM 378 CB ARG A 27 1.754 0.033 -13.482 1.00 0.00 C ATOM 379 CG ARG A 27 3.104 -0.441 -12.971 1.00 0.00 C ATOM 380 CD ARG A 27 4.010 0.730 -12.622 1.00 0.00 C ATOM 381 NE ARG A 27 4.637 1.309 -13.807 1.00 0.00 N ATOM 382 CZ ARG A 27 5.630 0.727 -14.472 1.00 0.00 C ATOM 383 NH1 ARG A 27 6.105 -0.443 -14.069 1.00 0.00 N ATOM 384 NH2 ARG A 27 6.148 1.317 -15.541 1.00 0.00 N ATOM 0 H ARG A 27 1.228 -0.189 -10.570 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.346 -0.005 -13.021 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.577 -0.397 -14.468 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.782 1.116 -13.606 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.961 -1.067 -12.090 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.584 -1.061 -13.729 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.430 1.496 -12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.783 0.397 -11.929 1.00 0.00 H new ATOM 0 HE ARG A 27 4.294 2.209 -14.143 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.708 -0.899 -13.247 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.867 -0.888 -14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.784 2.217 -15.853 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.910 0.870 -16.051 1.00 0.00 H new ATOM 398 N ASN A 28 -0.221 -2.517 -13.243 1.00 0.00 N ATOM 399 CA ASN A 28 -0.361 -3.967 -13.172 1.00 0.00 C ATOM 400 C ASN A 28 1.005 -4.644 -13.136 1.00 0.00 C ATOM 401 O ASN A 28 1.788 -4.534 -14.079 1.00 0.00 O ATOM 402 CB ASN A 28 -1.167 -4.481 -14.367 1.00 0.00 C ATOM 403 CG ASN A 28 -2.407 -3.649 -14.629 1.00 0.00 C ATOM 404 OD1 ASN A 28 -3.217 -3.420 -13.731 1.00 0.00 O ATOM 405 ND2 ASN A 28 -2.561 -3.191 -15.866 1.00 0.00 N ATOM 0 H ASN A 28 -0.741 -2.080 -14.004 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.892 -4.212 -12.252 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.536 -4.477 -15.256 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.458 -5.516 -14.187 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.376 -2.625 -16.102 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.864 -3.405 -16.580 1.00 0.00 H new ATOM 412 N GLU A 29 1.284 -5.345 -12.041 1.00 0.00 N ATOM 413 CA GLU A 29 2.556 -6.040 -11.883 1.00 0.00 C ATOM 414 C GLU A 29 2.338 -7.539 -11.703 1.00 0.00 C ATOM 415 O GLU A 29 1.372 -7.964 -11.071 1.00 0.00 O ATOM 416 CB GLU A 29 3.324 -5.477 -10.685 1.00 0.00 C ATOM 417 CG GLU A 29 4.723 -6.053 -10.534 1.00 0.00 C ATOM 418 CD GLU A 29 5.661 -5.602 -11.636 1.00 0.00 C ATOM 419 OE1 GLU A 29 6.255 -4.511 -11.501 1.00 0.00 O ATOM 420 OE2 GLU A 29 5.802 -6.340 -12.634 1.00 0.00 O ATOM 0 H GLU A 29 0.647 -5.446 -11.251 1.00 0.00 H new ATOM 0 HA GLU A 29 3.142 -5.882 -12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.395 -4.394 -10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.758 -5.676 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.132 -5.755 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.666 -7.141 -10.534 1.00 0.00 H new ATOM 427 N GLU A 30 3.244 -8.334 -12.264 1.00 0.00 N ATOM 428 CA GLU A 30 3.150 -9.786 -12.167 1.00 0.00 C ATOM 429 C GLU A 30 4.470 -10.386 -11.692 1.00 0.00 C ATOM 430 O GLU A 30 5.546 -9.921 -12.065 1.00 0.00 O ATOM 431 CB GLU A 30 2.762 -10.386 -13.520 1.00 0.00 C ATOM 432 CG GLU A 30 2.654 -11.902 -13.505 1.00 0.00 C ATOM 433 CD GLU A 30 3.910 -12.581 -14.016 1.00 0.00 C ATOM 434 OE1 GLU A 30 4.844 -12.781 -13.212 1.00 0.00 O ATOM 435 OE2 GLU A 30 3.959 -12.912 -15.219 1.00 0.00 O ATOM 0 H GLU A 30 4.051 -7.997 -12.790 1.00 0.00 H new ATOM 0 HA GLU A 30 2.378 -10.026 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.807 -9.965 -13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.501 -10.090 -14.265 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.452 -12.238 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.805 -12.208 -14.117 1.00 0.00 H new ATOM 442 N ALA A 31 4.378 -11.423 -10.865 1.00 0.00 N ATOM 443 CA ALA A 31 5.564 -12.088 -10.339 1.00 0.00 C ATOM 444 C ALA A 31 5.346 -13.593 -10.229 1.00 0.00 C ATOM 445 O ALA A 31 4.230 -14.084 -10.405 1.00 0.00 O ATOM 446 CB ALA A 31 5.938 -11.507 -8.984 1.00 0.00 C ATOM 0 H ALA A 31 3.495 -11.820 -10.545 1.00 0.00 H new ATOM 0 HA ALA A 31 6.385 -11.916 -11.035 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.825 -12.013 -8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.145 -10.442 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.112 -11.649 -8.287 1.00 0.00 H new ATOM 452 N THR A 32 6.419 -14.323 -9.938 1.00 0.00 N ATOM 453 CA THR A 32 6.345 -15.772 -9.807 1.00 0.00 C ATOM 454 C THR A 32 6.349 -16.192 -8.341 1.00 0.00 C ATOM 455 O THR A 32 6.858 -15.473 -7.482 1.00 0.00 O ATOM 456 CB THR A 32 7.516 -16.462 -10.531 1.00 0.00 C ATOM 457 OG1 THR A 32 7.740 -15.842 -11.802 1.00 0.00 O ATOM 458 CG2 THR A 32 7.233 -17.944 -10.727 1.00 0.00 C ATOM 0 H THR A 32 7.350 -13.933 -9.789 1.00 0.00 H new ATOM 0 HA THR A 32 5.408 -16.084 -10.269 1.00 0.00 H new ATOM 0 HB THR A 32 8.408 -16.357 -9.914 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.487 -16.285 -12.255 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.074 -18.410 -11.240 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.092 -18.419 -9.756 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.330 -18.066 -11.325 1.00 0.00 H new ATOM 466 N GLU A 33 5.780 -17.361 -8.064 1.00 0.00 N ATOM 467 CA GLU A 33 5.720 -17.876 -6.701 1.00 0.00 C ATOM 468 C GLU A 33 7.121 -18.039 -6.118 1.00 0.00 C ATOM 469 O GLU A 33 8.010 -18.599 -6.758 1.00 0.00 O ATOM 470 CB GLU A 33 4.985 -19.218 -6.671 1.00 0.00 C ATOM 471 CG GLU A 33 3.765 -19.223 -5.765 1.00 0.00 C ATOM 472 CD GLU A 33 3.322 -20.624 -5.391 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.522 -21.547 -6.208 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.776 -20.798 -4.281 1.00 0.00 O ATOM 0 H GLU A 33 5.355 -17.969 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 33 5.173 -17.156 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.676 -19.476 -7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.676 -19.994 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.989 -18.662 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.944 -18.708 -6.264 1.00 0.00 H new ATOM 481 N GLY A 34 7.309 -17.543 -4.899 1.00 0.00 N ATOM 482 CA GLY A 34 8.604 -17.642 -4.250 1.00 0.00 C ATOM 483 C GLY A 34 9.458 -16.410 -4.469 1.00 0.00 C ATOM 484 O GLY A 34 10.390 -16.149 -3.708 1.00 0.00 O ATOM 0 H GLY A 34 6.589 -17.075 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.460 -17.795 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.131 -18.518 -4.629 1.00 0.00 H new ATOM 488 N ALA A 35 9.142 -15.650 -5.513 1.00 0.00 N ATOM 489 CA ALA A 35 9.887 -14.438 -5.830 1.00 0.00 C ATOM 490 C ALA A 35 9.492 -13.293 -4.904 1.00 0.00 C ATOM 491 O ALA A 35 8.719 -13.479 -3.963 1.00 0.00 O ATOM 492 CB ALA A 35 9.664 -14.046 -7.283 1.00 0.00 C ATOM 0 H ALA A 35 8.375 -15.853 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 35 10.947 -14.643 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.226 -13.139 -7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.003 -14.852 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.602 -13.865 -7.452 1.00 0.00 H new ATOM 498 N THR A 36 10.027 -12.107 -5.176 1.00 0.00 N ATOM 499 CA THR A 36 9.732 -10.931 -4.366 1.00 0.00 C ATOM 500 C THR A 36 9.098 -9.830 -5.207 1.00 0.00 C ATOM 501 O THR A 36 9.754 -9.231 -6.059 1.00 0.00 O ATOM 502 CB THR A 36 11.002 -10.380 -3.692 1.00 0.00 C ATOM 503 OG1 THR A 36 11.715 -11.441 -3.047 1.00 0.00 O ATOM 504 CG2 THR A 36 10.651 -9.306 -2.673 1.00 0.00 C ATOM 0 H THR A 36 10.667 -11.935 -5.951 1.00 0.00 H new ATOM 0 HA THR A 36 9.029 -11.246 -3.595 1.00 0.00 H new ATOM 0 HB THR A 36 11.632 -9.936 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.522 -11.082 -2.622 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.564 -8.932 -2.210 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.135 -8.486 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.003 -9.730 -1.906 1.00 0.00 H new ATOM 512 N ALA A 37 7.818 -9.567 -4.963 1.00 0.00 N ATOM 513 CA ALA A 37 7.096 -8.535 -5.697 1.00 0.00 C ATOM 514 C ALA A 37 7.071 -7.224 -4.918 1.00 0.00 C ATOM 515 O ALA A 37 6.772 -7.204 -3.724 1.00 0.00 O ATOM 516 CB ALA A 37 5.679 -8.997 -6.001 1.00 0.00 C ATOM 0 H ALA A 37 7.260 -10.055 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 37 7.619 -8.359 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.152 -8.216 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.714 -9.904 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.155 -9.202 -5.067 1.00 0.00 H new ATOM 522 N VAL A 38 7.388 -6.129 -5.602 1.00 0.00 N ATOM 523 CA VAL A 38 7.402 -4.813 -4.975 1.00 0.00 C ATOM 524 C VAL A 38 6.913 -3.739 -5.940 1.00 0.00 C ATOM 525 O VAL A 38 7.456 -3.579 -7.035 1.00 0.00 O ATOM 526 CB VAL A 38 8.812 -4.441 -4.481 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.814 -4.509 -5.624 1.00 0.00 C ATOM 528 CG2 VAL A 38 8.807 -3.058 -3.847 1.00 0.00 C ATOM 0 H VAL A 38 7.639 -6.128 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 38 6.728 -4.863 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 38 9.114 -5.162 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.805 -4.243 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.837 -5.521 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.519 -3.812 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.812 -2.812 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.484 -2.322 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.121 -3.049 -3.000 1.00 0.00 H new ATOM 538 N LEU A 39 5.887 -3.003 -5.528 1.00 0.00 N ATOM 539 CA LEU A 39 5.325 -1.942 -6.356 1.00 0.00 C ATOM 540 C LEU A 39 5.882 -0.581 -5.951 1.00 0.00 C ATOM 541 O LEU A 39 6.378 -0.410 -4.837 1.00 0.00 O ATOM 542 CB LEU A 39 3.799 -1.935 -6.245 1.00 0.00 C ATOM 543 CG LEU A 39 3.110 -3.293 -6.384 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.245 -3.580 -5.167 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.275 -3.339 -7.656 1.00 0.00 C ATOM 0 H LEU A 39 5.427 -3.121 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 39 5.607 -2.136 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.527 -1.509 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.402 -1.268 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 39 3.878 -4.064 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.763 -4.551 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.867 -3.590 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.484 -2.806 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.792 -4.312 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.515 -2.558 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.920 -3.179 -8.520 1.00 0.00 H new ATOM 557 N ARG A 40 5.795 0.383 -6.861 1.00 0.00 N ATOM 558 CA ARG A 40 6.289 1.729 -6.597 1.00 0.00 C ATOM 559 C ARG A 40 5.423 2.773 -7.295 1.00 0.00 C ATOM 560 O ARG A 40 4.890 2.529 -8.378 1.00 0.00 O ATOM 561 CB ARG A 40 7.741 1.862 -7.062 1.00 0.00 C ATOM 562 CG ARG A 40 8.656 0.776 -6.520 1.00 0.00 C ATOM 563 CD ARG A 40 10.120 1.118 -6.746 1.00 0.00 C ATOM 564 NE ARG A 40 10.919 -0.067 -7.045 1.00 0.00 N ATOM 565 CZ ARG A 40 10.974 -0.633 -8.246 1.00 0.00 C ATOM 566 NH1 ARG A 40 10.279 -0.124 -9.254 1.00 0.00 N ATOM 567 NH2 ARG A 40 11.724 -1.710 -8.440 1.00 0.00 N ATOM 0 H ARG A 40 5.387 0.257 -7.787 1.00 0.00 H new ATOM 0 HA ARG A 40 6.241 1.902 -5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.768 1.838 -8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.124 2.835 -6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.473 0.643 -5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.424 -0.172 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.203 1.828 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.519 1.609 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 40 11.465 -0.483 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.701 0.704 -9.108 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.323 -0.560 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.259 -2.105 -7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.765 -2.143 -9.362 1.00 0.00 H new ATOM 581 N CYS A 41 5.286 3.936 -6.667 1.00 0.00 N ATOM 582 CA CYS A 41 4.483 5.017 -7.227 1.00 0.00 C ATOM 583 C CYS A 41 5.061 6.377 -6.848 1.00 0.00 C ATOM 584 O CYS A 41 5.723 6.515 -5.820 1.00 0.00 O ATOM 585 CB CYS A 41 3.037 4.911 -6.741 1.00 0.00 C ATOM 586 SG CYS A 41 2.873 4.719 -4.950 1.00 0.00 S ATOM 0 H CYS A 41 5.720 4.154 -5.770 1.00 0.00 H new ATOM 0 HA CYS A 41 4.501 4.925 -8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.494 5.804 -7.051 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.561 4.062 -7.232 1.00 0.00 H new ATOM 0 HG CYS A 41 1.672 5.059 -4.585 1.00 0.00 H new ATOM 592 N GLU A 42 4.808 7.377 -7.687 1.00 0.00 N ATOM 593 CA GLU A 42 5.306 8.725 -7.440 1.00 0.00 C ATOM 594 C GLU A 42 4.156 9.686 -7.153 1.00 0.00 C ATOM 595 O GLU A 42 3.062 9.545 -7.702 1.00 0.00 O ATOM 596 CB GLU A 42 6.113 9.222 -8.641 1.00 0.00 C ATOM 597 CG GLU A 42 7.058 10.365 -8.308 1.00 0.00 C ATOM 598 CD GLU A 42 7.485 11.144 -9.536 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.363 10.651 -10.276 1.00 0.00 O ATOM 600 OE2 GLU A 42 6.944 12.247 -9.758 1.00 0.00 O ATOM 0 H GLU A 42 4.262 7.279 -8.543 1.00 0.00 H new ATOM 0 HA GLU A 42 5.955 8.691 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.690 8.392 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.425 9.546 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.571 11.041 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.942 9.967 -7.809 1.00 0.00 H new ATOM 607 N LEU A 43 4.410 10.662 -6.289 1.00 0.00 N ATOM 608 CA LEU A 43 3.397 11.647 -5.927 1.00 0.00 C ATOM 609 C LEU A 43 3.870 13.060 -6.254 1.00 0.00 C ATOM 610 O LEU A 43 5.052 13.285 -6.515 1.00 0.00 O ATOM 611 CB LEU A 43 3.062 11.541 -4.439 1.00 0.00 C ATOM 612 CG LEU A 43 2.168 10.368 -4.034 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.549 9.860 -2.652 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.703 10.777 -4.069 1.00 0.00 C ATOM 0 H LEU A 43 5.309 10.793 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 43 2.500 11.440 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.996 11.470 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.576 12.466 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 43 2.315 9.559 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.903 9.026 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.587 9.527 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.431 10.663 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.082 9.930 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.539 11.602 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.437 11.092 -5.078 1.00 0.00 H new ATOM 626 N SER A 44 2.939 14.009 -6.236 1.00 0.00 N ATOM 627 CA SER A 44 3.261 15.400 -6.533 1.00 0.00 C ATOM 628 C SER A 44 3.969 16.057 -5.352 1.00 0.00 C ATOM 629 O SER A 44 4.793 16.955 -5.528 1.00 0.00 O ATOM 630 CB SER A 44 1.989 16.178 -6.876 1.00 0.00 C ATOM 631 OG SER A 44 2.097 16.798 -8.145 1.00 0.00 O ATOM 0 H SER A 44 1.957 13.840 -6.019 1.00 0.00 H new ATOM 0 HA SER A 44 3.932 15.417 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.133 15.503 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.805 16.934 -6.113 1.00 0.00 H new ATOM 0 HG SER A 44 1.271 17.287 -8.341 1.00 0.00 H new ATOM 637 N LYS A 45 3.641 15.604 -4.147 1.00 0.00 N ATOM 638 CA LYS A 45 4.245 16.145 -2.935 1.00 0.00 C ATOM 639 C LYS A 45 4.308 15.086 -1.839 1.00 0.00 C ATOM 640 O LYS A 45 3.442 14.216 -1.753 1.00 0.00 O ATOM 641 CB LYS A 45 3.451 17.357 -2.442 1.00 0.00 C ATOM 642 CG LYS A 45 4.310 18.584 -2.188 1.00 0.00 C ATOM 643 CD LYS A 45 4.826 18.618 -0.759 1.00 0.00 C ATOM 644 CE LYS A 45 3.901 19.414 0.148 1.00 0.00 C ATOM 645 NZ LYS A 45 3.198 18.540 1.128 1.00 0.00 N ATOM 0 H LYS A 45 2.960 14.863 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 45 5.262 16.457 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.687 17.605 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.931 17.091 -1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.152 18.589 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.728 19.484 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.921 17.600 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.823 19.059 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.478 20.169 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.166 19.944 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.258 18.935 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.093 17.585 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.751 18.489 2.007 1.00 0.00 H new ATOM 659 N MET A 46 5.338 15.166 -1.003 1.00 0.00 N ATOM 660 CA MET A 46 5.511 14.216 0.090 1.00 0.00 C ATOM 661 C MET A 46 4.299 14.224 1.015 1.00 0.00 C ATOM 662 O MET A 46 3.887 15.276 1.504 1.00 0.00 O ATOM 663 CB MET A 46 6.777 14.544 0.884 1.00 0.00 C ATOM 664 CG MET A 46 6.953 13.689 2.128 1.00 0.00 C ATOM 665 SD MET A 46 8.597 13.844 2.851 1.00 0.00 S ATOM 666 CE MET A 46 8.478 15.456 3.622 1.00 0.00 C ATOM 0 H MET A 46 6.065 15.879 -1.061 1.00 0.00 H new ATOM 0 HA MET A 46 5.609 13.219 -0.340 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.645 14.414 0.238 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.751 15.594 1.175 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.206 13.975 2.869 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.768 12.645 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.421 15.695 4.113 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.264 16.208 2.862 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.676 15.448 4.361 1.00 0.00 H new ATOM 676 N ALA A 47 3.733 13.046 1.252 1.00 0.00 N ATOM 677 CA ALA A 47 2.569 12.918 2.121 1.00 0.00 C ATOM 678 C ALA A 47 2.351 11.468 2.537 1.00 0.00 C ATOM 679 O ALA A 47 2.846 10.534 1.905 1.00 0.00 O ATOM 680 CB ALA A 47 1.330 13.462 1.426 1.00 0.00 C ATOM 0 H ALA A 47 4.061 12.166 0.855 1.00 0.00 H new ATOM 0 HA ALA A 47 2.753 13.503 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.468 13.360 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.480 14.514 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.152 12.902 0.508 1.00 0.00 H new ATOM 686 N PRO A 48 1.594 11.271 3.626 1.00 0.00 N ATOM 687 CA PRO A 48 1.293 9.936 4.151 1.00 0.00 C ATOM 688 C PRO A 48 0.357 9.151 3.239 1.00 0.00 C ATOM 689 O PRO A 48 -0.633 9.687 2.739 1.00 0.00 O ATOM 690 CB PRO A 48 0.614 10.226 5.492 1.00 0.00 C ATOM 691 CG PRO A 48 0.033 11.589 5.335 1.00 0.00 C ATOM 692 CD PRO A 48 0.972 12.338 4.429 1.00 0.00 C ATOM 0 HA PRO A 48 2.189 9.321 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.159 9.489 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.330 10.193 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.967 11.540 4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.059 12.088 6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.440 13.054 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.715 12.900 4.996 1.00 0.00 H new ATOM 700 N VAL A 49 0.675 7.879 3.025 1.00 0.00 N ATOM 701 CA VAL A 49 -0.139 7.020 2.173 1.00 0.00 C ATOM 702 C VAL A 49 -0.644 5.804 2.942 1.00 0.00 C ATOM 703 O VAL A 49 -0.089 5.438 3.977 1.00 0.00 O ATOM 704 CB VAL A 49 0.650 6.542 0.940 1.00 0.00 C ATOM 705 CG1 VAL A 49 1.023 7.722 0.055 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.891 5.772 1.367 1.00 0.00 C ATOM 0 H VAL A 49 1.491 7.420 3.430 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.989 7.617 1.842 1.00 0.00 H new ATOM 0 HB VAL A 49 0.015 5.871 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.580 7.365 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.117 8.227 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.640 8.420 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.436 5.442 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.531 6.418 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.596 4.904 1.956 1.00 0.00 H new ATOM 716 N GLU A 50 -1.700 5.182 2.427 1.00 0.00 N ATOM 717 CA GLU A 50 -2.281 4.007 3.066 1.00 0.00 C ATOM 718 C GLU A 50 -2.549 2.908 2.042 1.00 0.00 C ATOM 719 O GLU A 50 -3.366 3.075 1.136 1.00 0.00 O ATOM 720 CB GLU A 50 -3.579 4.378 3.784 1.00 0.00 C ATOM 721 CG GLU A 50 -3.366 5.219 5.031 1.00 0.00 C ATOM 722 CD GLU A 50 -3.354 6.707 4.737 1.00 0.00 C ATOM 723 OE1 GLU A 50 -4.434 7.264 4.451 1.00 0.00 O ATOM 724 OE2 GLU A 50 -2.264 7.313 4.793 1.00 0.00 O ATOM 0 H GLU A 50 -2.170 5.472 1.570 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.565 3.632 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.223 4.923 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.107 3.464 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.155 5.001 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.422 4.937 5.498 1.00 0.00 H new ATOM 731 N TRP A 51 -1.857 1.784 2.193 1.00 0.00 N ATOM 732 CA TRP A 51 -2.020 0.658 1.281 1.00 0.00 C ATOM 733 C TRP A 51 -3.165 -0.244 1.729 1.00 0.00 C ATOM 734 O TRP A 51 -3.136 -0.800 2.827 1.00 0.00 O ATOM 735 CB TRP A 51 -0.723 -0.148 1.196 1.00 0.00 C ATOM 736 CG TRP A 51 0.451 0.662 0.735 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.219 1.497 1.495 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.987 0.715 -0.591 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.201 2.066 0.720 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.081 1.602 -0.563 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.652 0.098 -1.799 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.838 1.886 -1.696 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.404 0.381 -2.923 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.487 1.268 -2.866 1.00 0.00 C ATOM 0 H TRP A 51 -1.178 1.628 2.938 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.259 1.054 0.294 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.501 -0.570 2.176 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.868 -0.985 0.513 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.076 1.683 2.549 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.905 2.727 1.047 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.180 -0.588 -1.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.673 2.570 -1.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.153 -0.090 -3.862 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.056 1.468 -3.762 1.00 0.00 H new ATOM 755 N TRP A 52 -4.171 -0.385 0.874 1.00 0.00 N ATOM 756 CA TRP A 52 -5.326 -1.220 1.183 1.00 0.00 C ATOM 757 C TRP A 52 -5.395 -2.422 0.248 1.00 0.00 C ATOM 758 O TRP A 52 -4.736 -2.451 -0.792 1.00 0.00 O ATOM 759 CB TRP A 52 -6.615 -0.403 1.079 1.00 0.00 C ATOM 760 CG TRP A 52 -6.854 0.483 2.264 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.250 1.680 2.527 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.759 0.242 3.346 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.726 2.197 3.708 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.653 1.334 4.229 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.650 -0.790 3.654 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.405 1.421 5.398 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.395 -0.702 4.815 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.269 0.397 5.675 1.00 0.00 C ATOM 0 H TRP A 52 -4.210 0.068 -0.039 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.216 -1.584 2.205 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.577 0.210 0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.460 -1.083 0.966 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.508 2.151 1.899 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.436 3.080 4.128 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.754 -1.641 2.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.309 2.267 6.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.086 -1.494 5.063 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.866 0.437 6.574 1.00 0.00 H new ATOM 779 N LYS A 53 -6.196 -3.413 0.623 1.00 0.00 N ATOM 780 CA LYS A 53 -6.352 -4.618 -0.183 1.00 0.00 C ATOM 781 C LYS A 53 -7.807 -5.076 -0.201 1.00 0.00 C ATOM 782 O LYS A 53 -8.256 -5.784 0.700 1.00 0.00 O ATOM 783 CB LYS A 53 -5.460 -5.738 0.358 1.00 0.00 C ATOM 784 CG LYS A 53 -5.396 -6.956 -0.548 1.00 0.00 C ATOM 785 CD LYS A 53 -5.035 -8.210 0.230 1.00 0.00 C ATOM 786 CE LYS A 53 -3.668 -8.742 -0.174 1.00 0.00 C ATOM 787 NZ LYS A 53 -2.867 -9.166 1.007 1.00 0.00 N ATOM 0 H LYS A 53 -6.748 -3.406 1.481 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.051 -4.383 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.452 -5.350 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.828 -6.043 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.359 -7.096 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.659 -6.789 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.041 -7.991 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.790 -8.977 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.793 -9.587 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.126 -7.972 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.943 -9.522 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.726 -8.353 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.372 -9.919 1.517 1.00 0.00 H new ATOM 801 N GLY A 54 -8.540 -4.668 -1.233 1.00 0.00 N ATOM 802 CA GLY A 54 -9.935 -5.047 -1.348 1.00 0.00 C ATOM 803 C GLY A 54 -10.813 -4.346 -0.330 1.00 0.00 C ATOM 804 O GLY A 54 -11.429 -3.323 -0.631 1.00 0.00 O ATOM 0 H GLY A 54 -8.192 -4.082 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.290 -4.813 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.027 -6.126 -1.221 1.00 0.00 H new ATOM 808 N HIS A 55 -10.873 -4.897 0.878 1.00 0.00 N ATOM 809 CA HIS A 55 -11.683 -4.318 1.943 1.00 0.00 C ATOM 810 C HIS A 55 -10.980 -4.446 3.291 1.00 0.00 C ATOM 811 O HIS A 55 -11.623 -4.657 4.319 1.00 0.00 O ATOM 812 CB HIS A 55 -13.050 -4.999 2.001 1.00 0.00 C ATOM 813 CG HIS A 55 -13.980 -4.571 0.908 1.00 0.00 C ATOM 814 ND1 HIS A 55 -14.412 -3.271 0.754 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.559 -5.279 -0.090 1.00 0.00 C ATOM 816 CE1 HIS A 55 -15.219 -3.198 -0.290 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.324 -4.403 -0.820 1.00 0.00 N ATOM 0 H HIS A 55 -10.370 -5.744 1.144 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.822 -3.259 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.911 -6.079 1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.512 -4.785 2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.441 -6.336 -0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -15.709 -2.305 -0.649 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.883 -4.644 -1.639 1.00 0.00 H new ATOM 825 N GLU A 56 -9.657 -4.316 3.278 1.00 0.00 N ATOM 826 CA GLU A 56 -8.867 -4.420 4.500 1.00 0.00 C ATOM 827 C GLU A 56 -7.503 -3.759 4.323 1.00 0.00 C ATOM 828 O GLU A 56 -6.904 -3.820 3.249 1.00 0.00 O ATOM 829 CB GLU A 56 -8.688 -5.887 4.895 1.00 0.00 C ATOM 830 CG GLU A 56 -8.107 -6.076 6.286 1.00 0.00 C ATOM 831 CD GLU A 56 -7.658 -7.501 6.542 1.00 0.00 C ATOM 832 OE1 GLU A 56 -7.635 -8.297 5.580 1.00 0.00 O ATOM 833 OE2 GLU A 56 -7.329 -7.821 7.704 1.00 0.00 O ATOM 0 H GLU A 56 -9.110 -4.139 2.436 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.403 -3.901 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.654 -6.389 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.036 -6.373 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.259 -5.403 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.854 -5.795 7.029 1.00 0.00 H new ATOM 840 N THR A 57 -7.017 -3.126 5.387 1.00 0.00 N ATOM 841 CA THR A 57 -5.725 -2.452 5.351 1.00 0.00 C ATOM 842 C THR A 57 -4.581 -3.449 5.491 1.00 0.00 C ATOM 843 O THR A 57 -4.772 -4.566 5.974 1.00 0.00 O ATOM 844 CB THR A 57 -5.611 -1.396 6.466 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.885 -1.203 7.090 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.107 -0.073 5.910 1.00 0.00 C ATOM 0 H THR A 57 -7.499 -3.066 6.284 1.00 0.00 H new ATOM 0 HA THR A 57 -5.654 -1.956 4.383 1.00 0.00 H new ATOM 0 HB THR A 57 -4.896 -1.757 7.205 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.473 -0.704 6.486 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.035 0.657 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.124 -0.217 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.801 0.291 5.152 1.00 0.00 H new ATOM 854 N LEU A 58 -3.390 -3.040 5.066 1.00 0.00 N ATOM 855 CA LEU A 58 -2.213 -3.898 5.145 1.00 0.00 C ATOM 856 C LEU A 58 -1.276 -3.436 6.256 1.00 0.00 C ATOM 857 O LEU A 58 -1.320 -2.280 6.678 1.00 0.00 O ATOM 858 CB LEU A 58 -1.472 -3.905 3.807 1.00 0.00 C ATOM 859 CG LEU A 58 -2.315 -4.234 2.574 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.529 -3.961 1.301 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.779 -5.683 2.616 1.00 0.00 C ATOM 0 H LEU A 58 -3.214 -2.120 4.663 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.546 -4.910 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.018 -2.925 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.658 -4.627 3.869 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.195 -3.591 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.145 -4.201 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.248 -2.909 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.630 -4.578 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.377 -5.899 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.911 -6.342 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.381 -5.846 3.510 1.00 0.00 H new ATOM 873 N ARG A 59 -0.427 -4.345 6.724 1.00 0.00 N ATOM 874 CA ARG A 59 0.521 -4.030 7.785 1.00 0.00 C ATOM 875 C ARG A 59 1.956 -4.102 7.271 1.00 0.00 C ATOM 876 O ARG A 59 2.211 -4.620 6.183 1.00 0.00 O ATOM 877 CB ARG A 59 0.341 -4.992 8.961 1.00 0.00 C ATOM 878 CG ARG A 59 -0.940 -4.762 9.745 1.00 0.00 C ATOM 879 CD ARG A 59 -0.864 -3.492 10.578 1.00 0.00 C ATOM 880 NE ARG A 59 -1.561 -3.631 11.854 1.00 0.00 N ATOM 881 CZ ARG A 59 -1.119 -4.384 12.855 1.00 0.00 C ATOM 882 NH1 ARG A 59 0.013 -5.062 12.728 1.00 0.00 N ATOM 883 NH2 ARG A 59 -1.810 -4.459 13.985 1.00 0.00 N ATOM 0 H ARG A 59 -0.377 -5.306 6.385 1.00 0.00 H new ATOM 0 HA ARG A 59 0.325 -3.012 8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.349 -6.016 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.192 -4.892 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.782 -4.697 9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.127 -5.615 10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.181 -3.241 10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.297 -2.664 10.017 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.435 -3.122 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.546 -5.006 11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.351 -5.640 13.498 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.681 -3.938 14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.470 -5.037 14.753 1.00 0.00 H new ATOM 897 N ASP A 60 2.889 -3.580 8.059 1.00 0.00 N ATOM 898 CA ASP A 60 4.298 -3.585 7.684 1.00 0.00 C ATOM 899 C ASP A 60 5.105 -4.484 8.616 1.00 0.00 C ATOM 900 O ASP A 60 4.867 -4.518 9.822 1.00 0.00 O ATOM 901 CB ASP A 60 4.861 -2.163 7.713 1.00 0.00 C ATOM 902 CG ASP A 60 5.274 -1.733 9.107 1.00 0.00 C ATOM 903 OD1 ASP A 60 4.481 -1.934 10.049 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.391 -1.193 9.254 1.00 0.00 O ATOM 0 H ASP A 60 2.695 -3.148 8.962 1.00 0.00 H new ATOM 0 HA ASP A 60 4.377 -3.978 6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.722 -2.102 7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.112 -1.471 7.329 1.00 0.00 H new ATOM 909 N GLY A 61 6.061 -5.212 8.046 1.00 0.00 N ATOM 910 CA GLY A 61 6.887 -6.102 8.840 1.00 0.00 C ATOM 911 C GLY A 61 6.465 -7.553 8.714 1.00 0.00 C ATOM 912 O GLY A 61 5.527 -7.871 7.983 1.00 0.00 O ATOM 0 H GLY A 61 6.278 -5.201 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.927 -6.001 8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.837 -5.802 9.887 1.00 0.00 H new ATOM 916 N ASP A 62 7.159 -8.434 9.425 1.00 0.00 N ATOM 917 CA ASP A 62 6.851 -9.859 9.389 1.00 0.00 C ATOM 918 C ASP A 62 7.207 -10.457 8.032 1.00 0.00 C ATOM 919 O ASP A 62 8.216 -11.149 7.892 1.00 0.00 O ATOM 920 CB ASP A 62 5.370 -10.090 9.690 1.00 0.00 C ATOM 921 CG ASP A 62 5.153 -10.838 10.990 1.00 0.00 C ATOM 922 OD1 ASP A 62 5.492 -10.285 12.057 1.00 0.00 O ATOM 923 OD2 ASP A 62 4.645 -11.978 10.941 1.00 0.00 O ATOM 0 H ASP A 62 7.939 -8.187 10.034 1.00 0.00 H new ATOM 0 HA ASP A 62 7.450 -10.355 10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.858 -9.129 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.919 -10.651 8.872 1.00 0.00 H new ATOM 928 N ARG A 63 6.371 -10.187 7.034 1.00 0.00 N ATOM 929 CA ARG A 63 6.596 -10.700 5.688 1.00 0.00 C ATOM 930 C ARG A 63 6.438 -9.593 4.651 1.00 0.00 C ATOM 931 O ARG A 63 6.457 -9.849 3.446 1.00 0.00 O ATOM 932 CB ARG A 63 5.623 -11.841 5.386 1.00 0.00 C ATOM 933 CG ARG A 63 5.758 -13.024 6.330 1.00 0.00 C ATOM 934 CD ARG A 63 4.432 -13.363 6.992 1.00 0.00 C ATOM 935 NE ARG A 63 4.431 -14.708 7.560 1.00 0.00 N ATOM 936 CZ ARG A 63 3.527 -15.137 8.434 1.00 0.00 C ATOM 937 NH1 ARG A 63 2.556 -14.330 8.837 1.00 0.00 N ATOM 938 NH2 ARG A 63 3.593 -16.375 8.905 1.00 0.00 N ATOM 0 H ARG A 63 5.532 -9.616 7.133 1.00 0.00 H new ATOM 0 HA ARG A 63 7.617 -11.079 5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.603 -11.460 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.784 -12.183 4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.123 -13.891 5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.500 -12.797 7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.224 -12.637 7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.629 -13.278 6.259 1.00 0.00 H new ATOM 0 HE ARG A 63 5.165 -15.354 7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.502 -13.378 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.863 -14.661 9.508 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.338 -16.999 8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.898 -16.703 9.576 1.00 0.00 H new ATOM 952 N HIS A 64 6.281 -8.361 5.126 1.00 0.00 N ATOM 953 CA HIS A 64 6.119 -7.215 4.239 1.00 0.00 C ATOM 954 C HIS A 64 7.120 -6.116 4.584 1.00 0.00 C ATOM 955 O HIS A 64 7.617 -6.046 5.707 1.00 0.00 O ATOM 956 CB HIS A 64 4.694 -6.670 4.330 1.00 0.00 C ATOM 957 CG HIS A 64 3.659 -7.603 3.781 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.414 -8.852 4.312 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.803 -7.463 2.742 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.453 -9.440 3.622 1.00 0.00 C ATOM 961 NE2 HIS A 64 2.064 -8.618 2.664 1.00 0.00 N ATOM 0 H HIS A 64 6.263 -8.131 6.120 1.00 0.00 H new ATOM 0 HA HIS A 64 6.308 -7.547 3.218 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.462 -6.456 5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.641 -5.724 3.791 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.717 -6.603 2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.053 -10.426 3.809 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.334 -8.810 1.978 1.00 0.00 H new ATOM 969 N SER A 65 7.410 -5.260 3.609 1.00 0.00 N ATOM 970 CA SER A 65 8.355 -4.167 3.808 1.00 0.00 C ATOM 971 C SER A 65 7.814 -2.867 3.220 1.00 0.00 C ATOM 972 O SER A 65 7.818 -2.674 2.004 1.00 0.00 O ATOM 973 CB SER A 65 9.703 -4.507 3.170 1.00 0.00 C ATOM 974 OG SER A 65 10.706 -4.678 4.156 1.00 0.00 O ATOM 0 H SER A 65 7.004 -5.302 2.674 1.00 0.00 H new ATOM 0 HA SER A 65 8.493 -4.030 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.610 -5.419 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.995 -3.712 2.484 1.00 0.00 H new ATOM 0 HG SER A 65 11.557 -4.896 3.722 1.00 0.00 H new ATOM 980 N LEU A 66 7.350 -1.979 4.092 1.00 0.00 N ATOM 981 CA LEU A 66 6.805 -0.696 3.660 1.00 0.00 C ATOM 982 C LEU A 66 7.865 0.398 3.734 1.00 0.00 C ATOM 983 O LEU A 66 8.345 0.739 4.816 1.00 0.00 O ATOM 984 CB LEU A 66 5.601 -0.315 4.523 1.00 0.00 C ATOM 985 CG LEU A 66 4.271 -0.968 4.145 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.250 -2.426 4.576 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.108 -0.209 4.769 1.00 0.00 C ATOM 0 H LEU A 66 7.340 -2.123 5.102 1.00 0.00 H new ATOM 0 HA LEU A 66 6.484 -0.796 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.826 -0.570 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.477 0.767 4.481 1.00 0.00 H new ATOM 0 HG LEU A 66 4.165 -0.930 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.296 -2.874 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.060 -2.963 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.379 -2.488 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.169 -0.688 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.210 -0.216 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.111 0.820 4.411 1.00 0.00 H new ATOM 999 N ARG A 67 8.224 0.946 2.578 1.00 0.00 N ATOM 1000 CA ARG A 67 9.226 2.003 2.512 1.00 0.00 C ATOM 1001 C ARG A 67 8.638 3.273 1.903 1.00 0.00 C ATOM 1002 O ARG A 67 7.691 3.215 1.119 1.00 0.00 O ATOM 1003 CB ARG A 67 10.431 1.542 1.691 1.00 0.00 C ATOM 1004 CG ARG A 67 10.931 0.157 2.068 1.00 0.00 C ATOM 1005 CD ARG A 67 12.178 -0.218 1.283 1.00 0.00 C ATOM 1006 NE ARG A 67 13.383 0.381 1.851 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.614 0.055 1.473 1.00 0.00 C ATOM 1008 NH1 ARG A 67 14.802 -0.859 0.531 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.660 0.645 2.036 1.00 0.00 N ATOM 0 H ARG A 67 7.836 0.676 1.674 1.00 0.00 H new ATOM 0 HA ARG A 67 9.551 2.225 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.163 1.547 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.242 2.259 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.149 0.126 3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.147 -0.577 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.285 -1.303 1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.066 0.105 0.248 1.00 0.00 H new ATOM 0 HE ARG A 67 13.273 1.088 2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.000 -1.314 0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.748 -1.107 0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.520 1.350 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.605 0.394 1.745 1.00 0.00 H new ATOM 1023 N GLN A 68 9.206 4.417 2.271 1.00 0.00 N ATOM 1024 CA GLN A 68 8.736 5.700 1.761 1.00 0.00 C ATOM 1025 C GLN A 68 9.869 6.721 1.731 1.00 0.00 C ATOM 1026 O GLN A 68 10.458 7.040 2.764 1.00 0.00 O ATOM 1027 CB GLN A 68 7.585 6.224 2.621 1.00 0.00 C ATOM 1028 CG GLN A 68 6.460 6.852 1.814 1.00 0.00 C ATOM 1029 CD GLN A 68 5.696 7.902 2.596 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.531 7.789 3.811 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.227 8.933 1.903 1.00 0.00 N ATOM 0 H GLN A 68 9.991 4.482 2.919 1.00 0.00 H new ATOM 0 HA GLN A 68 8.379 5.549 0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.182 5.403 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.973 6.962 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.874 7.305 0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.771 6.072 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.387 8.986 0.897 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.707 9.672 2.377 1.00 0.00 H new ATOM 1040 N ASP A 69 10.169 7.230 0.541 1.00 0.00 N ATOM 1041 CA ASP A 69 11.231 8.216 0.377 1.00 0.00 C ATOM 1042 C ASP A 69 10.717 9.451 -0.356 1.00 0.00 C ATOM 1043 O ASP A 69 10.592 9.453 -1.580 1.00 0.00 O ATOM 1044 CB ASP A 69 12.407 7.607 -0.388 1.00 0.00 C ATOM 1045 CG ASP A 69 13.406 6.930 0.530 1.00 0.00 C ATOM 1046 OD1 ASP A 69 12.971 6.248 1.481 1.00 0.00 O ATOM 1047 OD2 ASP A 69 14.623 7.082 0.296 1.00 0.00 O ATOM 0 H ASP A 69 9.692 6.976 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 69 11.569 8.518 1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.031 6.881 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.911 8.389 -0.956 1.00 0.00 H new ATOM 1052 N GLY A 70 10.418 10.502 0.403 1.00 0.00 N ATOM 1053 CA GLY A 70 9.920 11.728 -0.191 1.00 0.00 C ATOM 1054 C GLY A 70 8.573 11.542 -0.862 1.00 0.00 C ATOM 1055 O GLY A 70 7.559 11.356 -0.191 1.00 0.00 O ATOM 0 H GLY A 70 10.512 10.525 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.836 12.494 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.640 12.092 -0.924 1.00 0.00 H new ATOM 1059 N ALA A 71 8.563 11.595 -2.189 1.00 0.00 N ATOM 1060 CA ALA A 71 7.331 11.430 -2.951 1.00 0.00 C ATOM 1061 C ALA A 71 7.333 10.114 -3.721 1.00 0.00 C ATOM 1062 O ALA A 71 6.686 9.992 -4.761 1.00 0.00 O ATOM 1063 CB ALA A 71 7.139 12.601 -3.903 1.00 0.00 C ATOM 0 H ALA A 71 9.394 11.751 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 71 6.498 11.407 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.215 12.465 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.083 13.528 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.981 12.650 -4.594 1.00 0.00 H new ATOM 1069 N ARG A 72 8.066 9.133 -3.205 1.00 0.00 N ATOM 1070 CA ARG A 72 8.153 7.826 -3.845 1.00 0.00 C ATOM 1071 C ARG A 72 7.857 6.710 -2.848 1.00 0.00 C ATOM 1072 O ARG A 72 8.705 6.355 -2.028 1.00 0.00 O ATOM 1073 CB ARG A 72 9.543 7.625 -4.454 1.00 0.00 C ATOM 1074 CG ARG A 72 9.622 7.993 -5.926 1.00 0.00 C ATOM 1075 CD ARG A 72 11.028 7.802 -6.473 1.00 0.00 C ATOM 1076 NE ARG A 72 11.545 9.021 -7.090 1.00 0.00 N ATOM 1077 CZ ARG A 72 11.151 9.468 -8.277 1.00 0.00 C ATOM 1078 NH1 ARG A 72 10.240 8.801 -8.971 1.00 0.00 N ATOM 1079 NH2 ARG A 72 11.668 10.586 -8.771 1.00 0.00 N ATOM 0 H ARG A 72 8.608 9.219 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 72 7.406 7.788 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.264 8.225 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.836 6.582 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.923 7.379 -6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.316 9.031 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.692 7.494 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.025 6.997 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 72 12.247 9.558 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.840 7.942 -8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.939 9.147 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.368 11.103 -8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.365 10.929 -9.683 1.00 0.00 H new ATOM 1093 N CYS A 73 6.649 6.162 -2.923 1.00 0.00 N ATOM 1094 CA CYS A 73 6.240 5.087 -2.026 1.00 0.00 C ATOM 1095 C CYS A 73 6.362 3.730 -2.712 1.00 0.00 C ATOM 1096 O CYS A 73 6.389 3.645 -3.939 1.00 0.00 O ATOM 1097 CB CYS A 73 4.801 5.307 -1.557 1.00 0.00 C ATOM 1098 SG CYS A 73 4.468 6.979 -0.954 1.00 0.00 S ATOM 0 H CYS A 73 5.936 6.444 -3.596 1.00 0.00 H new ATOM 0 HA CYS A 73 6.903 5.097 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.124 5.089 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.576 4.595 -0.763 1.00 0.00 H new ATOM 0 HG CYS A 73 4.079 6.924 0.285 1.00 0.00 H new ATOM 1104 N GLU A 74 6.439 2.673 -1.910 1.00 0.00 N ATOM 1105 CA GLU A 74 6.561 1.320 -2.441 1.00 0.00 C ATOM 1106 C GLU A 74 6.177 0.285 -1.387 1.00 0.00 C ATOM 1107 O GLU A 74 6.193 0.568 -0.188 1.00 0.00 O ATOM 1108 CB GLU A 74 7.991 1.066 -2.924 1.00 0.00 C ATOM 1109 CG GLU A 74 9.040 1.237 -1.838 1.00 0.00 C ATOM 1110 CD GLU A 74 9.660 2.621 -1.839 1.00 0.00 C ATOM 1111 OE1 GLU A 74 10.290 2.988 -2.853 1.00 0.00 O ATOM 1112 OE2 GLU A 74 9.516 3.336 -0.826 1.00 0.00 O ATOM 0 H GLU A 74 6.419 2.727 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 74 5.877 1.225 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.056 0.054 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.215 1.748 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.585 1.047 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.824 0.492 -1.974 1.00 0.00 H new ATOM 1119 N LEU A 75 5.830 -0.913 -1.843 1.00 0.00 N ATOM 1120 CA LEU A 75 5.441 -1.991 -0.941 1.00 0.00 C ATOM 1121 C LEU A 75 5.997 -3.329 -1.418 1.00 0.00 C ATOM 1122 O LEU A 75 5.523 -3.892 -2.405 1.00 0.00 O ATOM 1123 CB LEU A 75 3.916 -2.069 -0.835 1.00 0.00 C ATOM 1124 CG LEU A 75 3.350 -3.354 -0.231 1.00 0.00 C ATOM 1125 CD1 LEU A 75 3.947 -3.606 1.145 1.00 0.00 C ATOM 1126 CD2 LEU A 75 1.832 -3.282 -0.151 1.00 0.00 C ATOM 0 H LEU A 75 5.810 -1.163 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 75 5.858 -1.775 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.570 -1.227 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.496 -1.945 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 75 3.621 -4.187 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.532 -4.525 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.029 -3.703 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.708 -2.771 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.446 -4.205 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.540 -2.439 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.421 -3.151 -1.152 1.00 0.00 H new ATOM 1138 N GLN A 76 7.003 -3.832 -0.710 1.00 0.00 N ATOM 1139 CA GLN A 76 7.622 -5.105 -1.062 1.00 0.00 C ATOM 1140 C GLN A 76 7.027 -6.245 -0.242 1.00 0.00 C ATOM 1141 O GLN A 76 6.660 -6.061 0.919 1.00 0.00 O ATOM 1142 CB GLN A 76 9.134 -5.038 -0.842 1.00 0.00 C ATOM 1143 CG GLN A 76 9.851 -6.346 -1.138 1.00 0.00 C ATOM 1144 CD GLN A 76 11.337 -6.158 -1.372 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.119 -6.069 -0.425 1.00 0.00 O ATOM 1146 NE2 GLN A 76 11.734 -6.096 -2.637 1.00 0.00 N ATOM 0 H GLN A 76 7.407 -3.378 0.110 1.00 0.00 H new ATOM 0 HA GLN A 76 7.423 -5.298 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.550 -4.254 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.330 -4.752 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.703 -7.034 -0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.404 -6.809 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.051 -6.174 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.722 -5.970 -2.856 1.00 0.00 H new ATOM 1155 N ILE A 77 6.934 -7.421 -0.854 1.00 0.00 N ATOM 1156 CA ILE A 77 6.384 -8.590 -0.180 1.00 0.00 C ATOM 1157 C ILE A 77 7.308 -9.794 -0.325 1.00 0.00 C ATOM 1158 O ILE A 77 7.378 -10.411 -1.388 1.00 0.00 O ATOM 1159 CB ILE A 77 4.993 -8.955 -0.732 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.033 -7.773 -0.580 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.446 -10.183 -0.019 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.251 -7.464 -1.837 1.00 0.00 C ATOM 0 H ILE A 77 7.232 -7.589 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 77 6.291 -8.332 0.875 1.00 0.00 H new ATOM 0 HB ILE A 77 5.089 -9.187 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.335 -7.984 0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.601 -6.889 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.463 -10.429 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.121 -11.024 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.362 -9.977 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.591 -6.615 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.942 -7.221 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.656 -8.333 -2.118 1.00 0.00 H new ATOM 1174 N ARG A 78 8.015 -10.124 0.751 1.00 0.00 N ATOM 1175 CA ARG A 78 8.935 -11.255 0.743 1.00 0.00 C ATOM 1176 C ARG A 78 8.201 -12.555 1.061 1.00 0.00 C ATOM 1177 O ARG A 78 7.403 -12.617 1.995 1.00 0.00 O ATOM 1178 CB ARG A 78 10.059 -11.031 1.756 1.00 0.00 C ATOM 1179 CG ARG A 78 11.444 -10.999 1.131 1.00 0.00 C ATOM 1180 CD ARG A 78 11.967 -12.402 0.863 1.00 0.00 C ATOM 1181 NE ARG A 78 12.328 -13.097 2.096 1.00 0.00 N ATOM 1182 CZ ARG A 78 12.912 -14.289 2.124 1.00 0.00 C ATOM 1183 NH1 ARG A 78 13.200 -14.916 0.992 1.00 0.00 N ATOM 1184 NH2 ARG A 78 13.210 -14.857 3.286 1.00 0.00 N ATOM 0 H ARG A 78 7.968 -9.624 1.639 1.00 0.00 H new ATOM 0 HA ARG A 78 9.365 -11.335 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.884 -10.091 2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.025 -11.823 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.410 -10.438 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.131 -10.474 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.208 -12.976 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.838 -12.345 0.210 1.00 0.00 H new ATOM 0 HE ARG A 78 12.120 -12.641 2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.973 -14.483 0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.649 -15.832 1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.990 -14.378 4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.659 -15.773 3.306 1.00 0.00 H new ATOM 1198 N GLY A 79 8.477 -13.591 0.275 1.00 0.00 N ATOM 1199 CA GLY A 79 7.835 -14.875 0.488 1.00 0.00 C ATOM 1200 C GLY A 79 6.501 -14.981 -0.223 1.00 0.00 C ATOM 1201 O GLY A 79 5.464 -15.177 0.413 1.00 0.00 O ATOM 0 H GLY A 79 9.133 -13.564 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.494 -15.670 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.687 -15.031 1.557 1.00 0.00 H new ATOM 1205 N LEU A 80 6.524 -14.849 -1.545 1.00 0.00 N ATOM 1206 CA LEU A 80 5.306 -14.929 -2.343 1.00 0.00 C ATOM 1207 C LEU A 80 4.622 -16.280 -2.160 1.00 0.00 C ATOM 1208 O LEU A 80 5.231 -17.236 -1.679 1.00 0.00 O ATOM 1209 CB LEU A 80 5.626 -14.704 -3.822 1.00 0.00 C ATOM 1210 CG LEU A 80 5.607 -13.251 -4.299 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.069 -13.158 -5.745 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.215 -12.657 -4.143 1.00 0.00 C ATOM 0 H LEU A 80 7.373 -14.686 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 80 4.626 -14.149 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.612 -15.120 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.911 -15.271 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 80 6.297 -12.677 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.049 -12.117 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.085 -13.544 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.405 -13.746 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.220 -11.623 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.505 -13.233 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.921 -12.689 -3.094 1.00 0.00 H new ATOM 1224 N VAL A 81 3.353 -16.353 -2.548 1.00 0.00 N ATOM 1225 CA VAL A 81 2.587 -17.588 -2.429 1.00 0.00 C ATOM 1226 C VAL A 81 1.350 -17.555 -3.320 1.00 0.00 C ATOM 1227 O VAL A 81 1.321 -18.174 -4.382 1.00 0.00 O ATOM 1228 CB VAL A 81 2.151 -17.841 -0.974 1.00 0.00 C ATOM 1229 CG1 VAL A 81 3.053 -18.876 -0.319 1.00 0.00 C ATOM 1230 CG2 VAL A 81 2.157 -16.541 -0.183 1.00 0.00 C ATOM 0 H VAL A 81 2.833 -15.571 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 81 3.242 -18.398 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 81 1.134 -18.232 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.730 -19.042 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.995 -19.813 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.082 -18.516 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.846 -16.738 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.162 -16.120 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.467 -15.833 -0.641 1.00 0.00 H new ATOM 1240 N ALA A 82 0.329 -16.827 -2.879 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.910 -16.710 -3.637 1.00 0.00 C ATOM 1242 C ALA A 82 -1.915 -15.821 -2.912 1.00 0.00 C ATOM 1243 O ALA A 82 -2.689 -15.102 -3.544 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.506 -18.087 -3.889 1.00 0.00 C ATOM 0 H ALA A 82 0.336 -16.309 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.679 -16.245 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.431 -17.985 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.798 -18.692 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.716 -18.572 -2.936 1.00 0.00 H new ATOM 1250 N GLU A 83 -1.898 -15.877 -1.584 1.00 0.00 N ATOM 1251 CA GLU A 83 -2.810 -15.077 -0.775 1.00 0.00 C ATOM 1252 C GLU A 83 -2.519 -13.588 -0.939 1.00 0.00 C ATOM 1253 O GLU A 83 -3.424 -12.756 -0.866 1.00 0.00 O ATOM 1254 CB GLU A 83 -2.698 -15.470 0.699 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.624 -16.608 1.097 1.00 0.00 C ATOM 1256 CD GLU A 83 -4.945 -16.116 1.657 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -4.964 -15.661 2.820 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -5.960 -16.186 0.932 1.00 0.00 O ATOM 0 H GLU A 83 -1.263 -16.467 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.826 -15.271 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.669 -15.759 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.919 -14.599 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.814 -17.238 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.128 -17.232 1.841 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.251 -13.260 -1.160 1.00 0.00 N ATOM 1266 CA ASP A 84 -0.840 -11.871 -1.334 1.00 0.00 C ATOM 1267 C ASP A 84 -1.469 -11.272 -2.588 1.00 0.00 C ATOM 1268 O ASP A 84 -1.732 -10.071 -2.649 1.00 0.00 O ATOM 1269 CB ASP A 84 0.684 -11.776 -1.418 1.00 0.00 C ATOM 1270 CG ASP A 84 1.332 -11.641 -0.054 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.807 -10.872 0.778 1.00 0.00 O ATOM 1272 OD2 ASP A 84 2.363 -12.305 0.182 1.00 0.00 O ATOM 0 H ASP A 84 -0.490 -13.936 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.185 -11.304 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.074 -12.664 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.958 -10.919 -2.034 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.707 -12.116 -3.586 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.306 -11.670 -4.838 1.00 0.00 C ATOM 1279 C ALA A 85 -3.679 -11.050 -4.599 1.00 0.00 C ATOM 1280 O ALA A 85 -4.453 -11.532 -3.774 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.411 -12.830 -5.816 1.00 0.00 C ATOM 0 H ALA A 85 -1.494 -13.113 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.661 -10.904 -5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.860 -12.482 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.416 -13.226 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.032 -13.615 -5.384 1.00 0.00 H new ATOM 1287 N GLY A 86 -3.973 -9.977 -5.327 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.253 -9.308 -5.179 1.00 0.00 C ATOM 1289 C GLY A 86 -5.222 -7.879 -5.683 1.00 0.00 C ATOM 1290 O GLY A 86 -4.366 -7.517 -6.490 1.00 0.00 O ATOM 0 H GLY A 86 -3.348 -9.559 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.016 -9.865 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.543 -9.313 -4.128 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.159 -7.065 -5.207 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.236 -5.668 -5.617 1.00 0.00 C ATOM 1296 C GLU A 87 -5.526 -4.766 -4.612 1.00 0.00 C ATOM 1297 O GLU A 87 -6.032 -4.517 -3.518 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.697 -5.236 -5.763 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.868 -3.890 -6.447 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.313 -3.596 -6.801 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -10.189 -3.801 -5.935 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.568 -3.161 -7.944 1.00 0.00 O ATOM 0 H GLU A 87 -6.875 -7.349 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.738 -5.571 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.236 -5.994 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.155 -5.193 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.491 -3.104 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.264 -3.868 -7.354 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.349 -4.279 -4.991 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.567 -3.407 -4.123 1.00 0.00 C ATOM 1311 C TYR A 88 -3.934 -1.943 -4.348 1.00 0.00 C ATOM 1312 O TYR A 88 -3.776 -1.413 -5.448 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.072 -3.614 -4.372 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.484 -4.773 -3.599 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.487 -6.058 -4.127 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.926 -4.583 -2.341 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -0.952 -7.120 -3.424 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.387 -5.639 -1.632 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.403 -6.906 -2.178 1.00 0.00 C ATOM 1320 OH TYR A 88 0.132 -7.960 -1.474 1.00 0.00 O ATOM 0 H TYR A 88 -3.916 -4.474 -5.894 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.796 -3.665 -3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.909 -3.779 -5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.538 -2.702 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.915 -6.230 -5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.913 -3.593 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.964 -8.113 -3.849 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.044 -5.474 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.341 -8.785 -1.710 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.424 -1.296 -3.297 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.814 0.108 -3.376 1.00 0.00 C ATOM 1332 C LEU A 89 -3.756 1.004 -2.740 1.00 0.00 C ATOM 1333 O LEU A 89 -2.817 0.519 -2.108 1.00 0.00 O ATOM 1334 CB LEU A 89 -6.162 0.323 -2.687 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.233 1.037 -3.514 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.576 0.339 -3.365 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.340 2.498 -3.101 1.00 0.00 C ATOM 0 H LEU A 89 -4.561 -1.721 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.905 0.375 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.552 -0.649 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.994 0.896 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.941 0.997 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.325 0.861 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.491 -0.691 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.876 0.346 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.107 2.990 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.608 2.559 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.382 2.992 -3.261 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.915 2.311 -2.911 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.974 3.276 -2.352 1.00 0.00 C ATOM 1351 C CYS A 90 -3.561 4.683 -2.373 1.00 0.00 C ATOM 1352 O CYS A 90 -3.388 5.424 -3.340 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.659 3.247 -3.132 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.328 4.203 -2.369 1.00 0.00 S ATOM 0 H CYS A 90 -4.686 2.728 -3.432 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.780 2.999 -1.316 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.334 2.212 -3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.837 3.629 -4.137 1.00 0.00 H new ATOM 0 HG CYS A 90 0.687 3.425 -2.136 1.00 0.00 H new ATOM 1360 N MET A 91 -4.258 5.044 -1.300 1.00 0.00 N ATOM 1361 CA MET A 91 -4.872 6.363 -1.196 1.00 0.00 C ATOM 1362 C MET A 91 -3.924 7.352 -0.525 1.00 0.00 C ATOM 1363 O MET A 91 -3.313 7.044 0.499 1.00 0.00 O ATOM 1364 CB MET A 91 -6.181 6.280 -0.409 1.00 0.00 C ATOM 1365 CG MET A 91 -7.077 5.131 -0.841 1.00 0.00 C ATOM 1366 SD MET A 91 -8.650 5.107 0.041 1.00 0.00 S ATOM 1367 CE MET A 91 -8.276 3.966 1.370 1.00 0.00 C ATOM 0 H MET A 91 -4.412 4.442 -0.491 1.00 0.00 H new ATOM 0 HA MET A 91 -5.085 6.717 -2.205 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.952 6.173 0.651 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.725 7.218 -0.524 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.266 5.206 -1.912 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.557 4.188 -0.675 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.040 4.046 2.144 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.258 2.948 0.981 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.302 4.209 1.795 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.805 8.540 -1.109 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.930 9.574 -0.567 1.00 0.00 C ATOM 1379 C CYS A 92 -3.647 10.919 -0.513 1.00 0.00 C ATOM 1380 O CYS A 92 -3.747 11.621 -1.519 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.662 9.691 -1.413 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.516 10.973 -0.852 1.00 0.00 S ATOM 0 H CYS A 92 -4.303 8.811 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.655 9.289 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.146 8.731 -1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.945 9.898 -2.445 1.00 0.00 H new ATOM 0 HG CYS A 92 0.625 10.431 -0.545 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.146 11.271 0.668 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.849 12.530 0.831 1.00 0.00 C ATOM 1390 C GLY A 93 -6.239 12.500 0.229 1.00 0.00 C ATOM 1391 O GLY A 93 -7.225 12.278 0.933 1.00 0.00 O ATOM 0 H GLY A 93 -4.076 10.707 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.921 12.767 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.272 13.328 0.364 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.322 12.725 -1.078 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.602 12.723 -1.776 1.00 0.00 C ATOM 1397 C LYS A 94 -7.603 11.701 -2.908 1.00 0.00 C ATOM 1398 O LYS A 94 -8.488 10.849 -2.985 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.904 14.116 -2.333 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.103 14.785 -1.682 1.00 0.00 C ATOM 1401 CD LYS A 94 -8.684 15.963 -0.820 1.00 0.00 C ATOM 1402 CE LYS A 94 -9.829 16.944 -0.622 1.00 0.00 C ATOM 1403 NZ LYS A 94 -10.638 16.616 0.585 1.00 0.00 N ATOM 0 H LYS A 94 -5.517 12.911 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.377 12.448 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.027 14.750 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.080 14.039 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.794 15.125 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.639 14.059 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.341 15.602 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.842 16.475 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.430 17.954 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.471 16.935 -1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.408 17.308 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.040 15.662 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.031 16.649 1.429 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.606 11.791 -3.782 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.493 10.872 -4.909 1.00 0.00 C ATOM 1419 C GLU A 95 -6.097 9.477 -4.436 1.00 0.00 C ATOM 1420 O GLU A 95 -5.726 9.285 -3.278 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.466 11.391 -5.918 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.876 12.690 -6.591 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.942 12.486 -7.651 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -6.720 11.664 -8.564 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -7.997 13.149 -7.567 1.00 0.00 O ATOM 0 H GLU A 95 -5.865 12.490 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.468 10.810 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.513 11.540 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.304 10.631 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.247 13.384 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.000 13.152 -7.046 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.181 8.506 -5.339 1.00 0.00 N ATOM 1433 CA ARG A 96 -5.834 7.128 -5.014 1.00 0.00 C ATOM 1434 C ARG A 96 -5.649 6.300 -6.283 1.00 0.00 C ATOM 1435 O ARG A 96 -6.232 6.601 -7.325 1.00 0.00 O ATOM 1436 CB ARG A 96 -6.918 6.500 -4.137 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.283 6.441 -4.803 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.142 5.332 -4.217 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.510 5.774 -3.964 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.425 5.914 -4.916 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.120 5.646 -6.178 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.650 6.322 -4.607 1.00 0.00 N ATOM 0 H ARG A 96 -6.486 8.648 -6.302 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.892 7.137 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.612 5.490 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.999 7.069 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.790 7.398 -4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.160 6.280 -5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.156 4.484 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.696 4.982 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.778 5.987 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.180 5.331 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.825 5.754 -6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.889 6.528 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.352 6.429 -5.339 1.00 0.00 H new ATOM 1456 N THR A 97 -4.832 5.255 -6.188 1.00 0.00 N ATOM 1457 CA THR A 97 -4.568 4.385 -7.327 1.00 0.00 C ATOM 1458 C THR A 97 -4.679 2.917 -6.934 1.00 0.00 C ATOM 1459 O THR A 97 -4.184 2.506 -5.884 1.00 0.00 O ATOM 1460 CB THR A 97 -3.170 4.643 -7.919 1.00 0.00 C ATOM 1461 OG1 THR A 97 -2.851 3.632 -8.882 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.113 4.658 -6.824 1.00 0.00 C ATOM 0 H THR A 97 -4.342 4.991 -5.333 1.00 0.00 H new ATOM 0 HA THR A 97 -5.321 4.614 -8.081 1.00 0.00 H new ATOM 0 HB THR A 97 -3.181 5.618 -8.406 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.698 4.049 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.134 4.842 -7.266 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.342 5.447 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.105 3.695 -6.313 1.00 0.00 H new ATOM 1470 N SER A 98 -5.329 2.129 -7.785 1.00 0.00 N ATOM 1471 CA SER A 98 -5.507 0.705 -7.524 1.00 0.00 C ATOM 1472 C SER A 98 -4.820 -0.133 -8.598 1.00 0.00 C ATOM 1473 O SER A 98 -4.850 0.206 -9.780 1.00 0.00 O ATOM 1474 CB SER A 98 -6.996 0.358 -7.466 1.00 0.00 C ATOM 1475 OG SER A 98 -7.739 1.142 -8.382 1.00 0.00 O ATOM 0 H SER A 98 -5.741 2.452 -8.660 1.00 0.00 H new ATOM 0 HA SER A 98 -5.050 0.477 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.135 -0.699 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.371 0.521 -6.456 1.00 0.00 H new ATOM 0 HG SER A 98 -8.687 0.900 -8.326 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.201 -1.231 -8.176 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.507 -2.120 -9.100 1.00 0.00 C ATOM 1483 C ALA A 99 -3.818 -3.581 -8.793 1.00 0.00 C ATOM 1484 O ALA A 99 -4.467 -3.891 -7.795 1.00 0.00 O ATOM 1485 CB ALA A 99 -2.007 -1.874 -9.043 1.00 0.00 C ATOM 0 H ALA A 99 -4.166 -1.526 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.861 -1.904 -10.108 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.502 -2.545 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.797 -0.841 -9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.646 -2.060 -8.032 1.00 0.00 H new ATOM 1491 N MET A 100 -3.349 -4.475 -9.658 1.00 0.00 N ATOM 1492 CA MET A 100 -3.577 -5.904 -9.478 1.00 0.00 C ATOM 1493 C MET A 100 -2.264 -6.677 -9.550 1.00 0.00 C ATOM 1494 O MET A 100 -1.572 -6.652 -10.569 1.00 0.00 O ATOM 1495 CB MET A 100 -4.548 -6.425 -10.540 1.00 0.00 C ATOM 1496 CG MET A 100 -6.004 -6.104 -10.241 1.00 0.00 C ATOM 1497 SD MET A 100 -7.036 -7.580 -10.153 1.00 0.00 S ATOM 1498 CE MET A 100 -6.310 -8.418 -8.746 1.00 0.00 C ATOM 0 H MET A 100 -2.809 -4.235 -10.490 1.00 0.00 H new ATOM 0 HA MET A 100 -4.014 -6.056 -8.491 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.281 -5.997 -11.506 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.433 -7.505 -10.627 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.067 -5.565 -9.296 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.392 -5.440 -11.013 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.363 -9.496 -8.898 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.268 -8.117 -8.641 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.857 -8.152 -7.842 1.00 0.00 H new ATOM 1508 N LEU A 101 -1.926 -7.363 -8.464 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.695 -8.144 -8.404 1.00 0.00 C ATOM 1510 C LEU A 101 -0.970 -9.616 -8.692 1.00 0.00 C ATOM 1511 O LEU A 101 -1.783 -10.251 -8.019 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.040 -7.994 -7.030 1.00 0.00 C ATOM 1513 CG LEU A 101 1.350 -8.614 -6.878 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.385 -7.795 -7.633 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.725 -8.728 -5.408 1.00 0.00 C ATOM 0 H LEU A 101 -2.487 -7.394 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.015 -7.765 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.031 -6.931 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.699 -8.440 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 101 1.329 -9.617 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.368 -8.251 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.125 -7.766 -8.691 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.406 -6.780 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.717 -9.171 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.729 -7.736 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.999 -9.358 -4.895 1.00 0.00 H new ATOM 1527 N THR A 102 -0.285 -10.156 -9.696 1.00 0.00 N ATOM 1528 CA THR A 102 -0.454 -11.553 -10.072 1.00 0.00 C ATOM 1529 C THR A 102 0.692 -12.408 -9.542 1.00 0.00 C ATOM 1530 O THR A 102 1.855 -12.007 -9.595 1.00 0.00 O ATOM 1531 CB THR A 102 -0.536 -11.717 -11.601 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.428 -10.742 -12.151 1.00 0.00 O ATOM 1533 CG2 THR A 102 -1.013 -13.114 -11.971 1.00 0.00 C ATOM 0 H THR A 102 0.392 -9.646 -10.263 1.00 0.00 H new ATOM 0 HA THR A 102 -1.391 -11.889 -9.627 1.00 0.00 H new ATOM 0 HB THR A 102 0.462 -11.570 -12.014 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.473 -10.852 -13.124 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.063 -13.206 -13.056 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.316 -13.853 -11.576 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.002 -13.285 -11.546 1.00 0.00 H new ATOM 1541 N VAL A 103 0.356 -13.588 -9.030 1.00 0.00 N ATOM 1542 CA VAL A 103 1.358 -14.501 -8.492 1.00 0.00 C ATOM 1543 C VAL A 103 1.280 -15.864 -9.170 1.00 0.00 C ATOM 1544 O VAL A 103 0.384 -16.659 -8.888 1.00 0.00 O ATOM 1545 CB VAL A 103 1.189 -14.685 -6.972 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.245 -15.636 -6.429 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.254 -13.341 -6.262 1.00 0.00 C ATOM 0 H VAL A 103 -0.602 -13.934 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 103 2.333 -14.055 -8.691 1.00 0.00 H new ATOM 0 HB VAL A 103 0.209 -15.122 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.110 -15.754 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.146 -16.606 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.237 -15.230 -6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.133 -13.490 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.219 -12.873 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.457 -12.696 -6.631 1.00 0.00 H new ATOM 1557 N ARG A 104 2.227 -16.128 -10.065 1.00 0.00 N ATOM 1558 CA ARG A 104 2.266 -17.395 -10.784 1.00 0.00 C ATOM 1559 C ARG A 104 2.646 -18.540 -9.849 1.00 0.00 C ATOM 1560 O ARG A 104 2.800 -18.345 -8.644 1.00 0.00 O ATOM 1561 CB ARG A 104 3.261 -17.318 -11.943 1.00 0.00 C ATOM 1562 CG ARG A 104 2.964 -16.198 -12.927 1.00 0.00 C ATOM 1563 CD ARG A 104 1.970 -16.640 -13.990 1.00 0.00 C ATOM 1564 NE ARG A 104 2.535 -17.648 -14.883 1.00 0.00 N ATOM 1565 CZ ARG A 104 1.898 -18.129 -15.945 1.00 0.00 C ATOM 1566 NH1 ARG A 104 0.682 -17.695 -16.246 1.00 0.00 N ATOM 1567 NH2 ARG A 104 2.479 -19.045 -16.709 1.00 0.00 N ATOM 0 H ARG A 104 2.977 -15.481 -10.309 1.00 0.00 H new ATOM 0 HA ARG A 104 1.270 -17.589 -11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.265 -17.180 -11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.259 -18.269 -12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.566 -15.337 -12.390 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.890 -15.876 -13.404 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.079 -17.042 -13.508 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.655 -15.775 -14.573 1.00 0.00 H new ATOM 0 HE ARG A 104 3.470 -18.002 -14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.233 -16.990 -15.662 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.195 -18.066 -17.062 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.415 -19.380 -16.481 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.990 -19.414 -17.524 1.00 0.00 H new ATOM 1581 N ALA A 105 2.795 -19.734 -10.414 1.00 0.00 N ATOM 1582 CA ALA A 105 3.158 -20.909 -9.631 1.00 0.00 C ATOM 1583 C ALA A 105 4.580 -21.359 -9.945 1.00 0.00 C ATOM 1584 O ALA A 105 5.026 -21.287 -11.090 1.00 0.00 O ATOM 1585 CB ALA A 105 2.174 -22.040 -9.891 1.00 0.00 C ATOM 0 H ALA A 105 2.670 -19.913 -11.410 1.00 0.00 H new ATOM 0 HA ALA A 105 3.115 -20.640 -8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.457 -22.911 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.170 -21.721 -9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.189 -22.299 -10.950 1.00 0.00 H new ATOM 1591 N MET A 106 5.288 -21.824 -8.921 1.00 0.00 N ATOM 1592 CA MET A 106 6.661 -22.287 -9.090 1.00 0.00 C ATOM 1593 C MET A 106 6.737 -23.391 -10.139 1.00 0.00 C ATOM 1594 O MET A 106 5.742 -24.034 -10.472 1.00 0.00 O ATOM 1595 CB MET A 106 7.218 -22.794 -7.758 1.00 0.00 C ATOM 1596 CG MET A 106 8.193 -21.831 -7.101 1.00 0.00 C ATOM 1597 SD MET A 106 8.091 -21.858 -5.301 1.00 0.00 S ATOM 1598 CE MET A 106 9.382 -23.035 -4.906 1.00 0.00 C ATOM 0 H MET A 106 4.934 -21.890 -7.967 1.00 0.00 H new ATOM 0 HA MET A 106 7.263 -21.445 -9.431 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.390 -22.982 -7.075 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.718 -23.749 -7.922 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.208 -22.083 -7.407 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.994 -20.820 -7.457 1.00 0.00 H new ATOM 0 HE1 MET A 106 9.442 -23.160 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 106 9.154 -23.995 -5.370 1.00 0.00 H new ATOM 0 HE3 MET A 106 10.337 -22.668 -5.283 1.00 0.00 H new ATOM 1608 N PRO A 107 7.946 -23.618 -10.674 1.00 0.00 N ATOM 1609 CA PRO A 107 8.181 -24.645 -11.694 1.00 0.00 C ATOM 1610 C PRO A 107 8.056 -26.057 -11.134 1.00 0.00 C ATOM 1611 O PRO A 107 7.729 -26.244 -9.961 1.00 0.00 O ATOM 1612 CB PRO A 107 9.618 -24.374 -12.146 1.00 0.00 C ATOM 1613 CG PRO A 107 10.260 -23.699 -10.983 1.00 0.00 C ATOM 1614 CD PRO A 107 9.178 -22.890 -10.325 1.00 0.00 C ATOM 0 HA PRO A 107 7.449 -24.594 -12.500 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.134 -25.300 -12.401 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.641 -23.741 -13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.678 -24.429 -10.290 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.082 -23.061 -11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.319 -22.833 -9.246 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.159 -21.866 -10.698 1.00 0.00 H new