USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 453 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 79 THR OG1 : rot -120:sc= -1.01 USER MOD Set 1.2: A 80 ASN : amide:sc= -1.06 K(o=-2.1,f=-0.69) USER MOD Set 2.1: A 72 HIS : no HD1:sc= -0.0281 K(o=-5.9,f=-0.9) USER MOD Set 2.2: A 76 ASN : amide:sc= -5.85! K(o=-5.9!,f=-0.9) USER MOD Single : A 17 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.016) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -13! C(o=-13!,f=-20!) USER MOD Single : A 28 ASN : amide:sc= -5.47! K(o=-5.5!,f=-0.93) USER MOD Single : A 29 SER OG : rot 68:sc= 0.583 USER MOD Single : A 36 GLN : amide:sc= -2.95! K(o=-3!,f=-0.43) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 69 MET CE :methyl 149:sc= -1.77 (180deg=-4.11!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -17.9! C(o=-18!,f=-6.8!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -29:sc= 0.815 USER MOD ----------------------------------------------------------------- ATOM 268 N ASN A 17 7.462 8.940 -6.846 1.00 0.00 N ATOM 269 CA ASN A 17 7.107 8.015 -7.969 1.00 0.00 C ATOM 270 C ASN A 17 6.434 6.753 -7.387 1.00 0.00 C ATOM 271 O ASN A 17 7.126 5.817 -7.038 1.00 0.00 O ATOM 272 CB ASN A 17 8.397 7.602 -8.684 1.00 0.00 C ATOM 273 CG ASN A 17 9.069 8.839 -9.283 1.00 0.00 C ATOM 274 OD1 ASN A 17 10.221 8.794 -9.667 1.00 0.00 O ATOM 275 ND2 ASN A 17 8.392 9.951 -9.378 1.00 0.00 N ATOM 0 HA ASN A 17 6.429 8.510 -8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.073 7.112 -7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.174 6.880 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.830 10.782 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.425 9.988 -9.056 1.00 0.00 H new ATOM 282 N PRO A 18 5.116 6.746 -7.276 1.00 0.00 N ATOM 283 CA PRO A 18 4.405 5.580 -6.710 1.00 0.00 C ATOM 284 C PRO A 18 4.731 4.313 -7.519 1.00 0.00 C ATOM 285 O PRO A 18 4.481 3.206 -7.086 1.00 0.00 O ATOM 286 CB PRO A 18 2.904 5.949 -6.792 1.00 0.00 C ATOM 287 CG PRO A 18 2.818 7.432 -7.252 1.00 0.00 C ATOM 288 CD PRO A 18 4.236 7.863 -7.689 1.00 0.00 C ATOM 0 HA PRO A 18 4.700 5.363 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.386 5.298 -7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.422 5.819 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.113 7.538 -8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.457 8.065 -6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.285 8.028 -8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.531 8.797 -7.210 1.00 0.00 H new ATOM 296 N LYS A 19 5.290 4.475 -8.684 1.00 0.00 N ATOM 297 CA LYS A 19 5.642 3.295 -9.526 1.00 0.00 C ATOM 298 C LYS A 19 6.554 2.335 -8.751 1.00 0.00 C ATOM 299 O LYS A 19 6.503 1.134 -8.938 1.00 0.00 O ATOM 300 CB LYS A 19 6.385 3.779 -10.773 1.00 0.00 C ATOM 301 CG LYS A 19 6.681 2.586 -11.686 1.00 0.00 C ATOM 302 CD LYS A 19 7.068 3.088 -13.080 1.00 0.00 C ATOM 303 CE LYS A 19 7.486 1.901 -13.950 1.00 0.00 C ATOM 304 NZ LYS A 19 7.831 2.383 -15.317 1.00 0.00 N ATOM 0 H LYS A 19 5.521 5.380 -9.094 1.00 0.00 H new ATOM 0 HA LYS A 19 4.726 2.772 -9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.784 4.517 -11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.315 4.271 -10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.489 1.987 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.806 1.940 -11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.227 3.610 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.886 3.805 -13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.342 1.394 -13.505 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.677 1.173 -14.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.115 1.576 -15.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.003 2.848 -15.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.616 3.062 -15.258 1.00 0.00 H new ATOM 318 N THR A 20 7.404 2.846 -7.900 1.00 0.00 N ATOM 319 CA THR A 20 8.323 1.957 -7.147 1.00 0.00 C ATOM 320 C THR A 20 7.562 1.213 -6.045 1.00 0.00 C ATOM 321 O THR A 20 7.771 0.036 -5.827 1.00 0.00 O ATOM 322 CB THR A 20 9.437 2.804 -6.532 1.00 0.00 C ATOM 323 OG1 THR A 20 10.221 3.380 -7.568 1.00 0.00 O ATOM 324 CG2 THR A 20 10.316 1.920 -5.658 1.00 0.00 C ATOM 0 H THR A 20 7.498 3.841 -7.697 1.00 0.00 H new ATOM 0 HA THR A 20 8.751 1.219 -7.826 1.00 0.00 H new ATOM 0 HB THR A 20 9.001 3.598 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.934 3.925 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.112 2.520 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.713 1.478 -4.865 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.753 1.128 -6.265 1.00 0.00 H new ATOM 332 N PHE A 21 6.684 1.880 -5.350 1.00 0.00 N ATOM 333 CA PHE A 21 5.923 1.190 -4.269 1.00 0.00 C ATOM 334 C PHE A 21 5.219 -0.028 -4.885 1.00 0.00 C ATOM 335 O PHE A 21 5.070 -1.056 -4.256 1.00 0.00 O ATOM 336 CB PHE A 21 4.907 2.189 -3.644 1.00 0.00 C ATOM 337 CG PHE A 21 3.557 1.542 -3.402 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.642 1.423 -4.456 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.223 1.063 -2.129 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.395 0.828 -4.239 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.974 0.467 -1.911 1.00 0.00 C ATOM 342 CZ PHE A 21 1.061 0.349 -2.966 1.00 0.00 C ATOM 0 H PHE A 21 6.460 2.867 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 21 6.584 0.847 -3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.303 2.568 -2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.786 3.046 -4.306 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.900 1.791 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.928 1.153 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.690 0.738 -5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.715 0.099 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.099 -0.112 -2.798 1.00 0.00 H new ATOM 352 N PHE A 22 4.791 0.086 -6.110 1.00 0.00 N ATOM 353 CA PHE A 22 4.104 -1.058 -6.765 1.00 0.00 C ATOM 354 C PHE A 22 5.112 -2.185 -7.034 1.00 0.00 C ATOM 355 O PHE A 22 4.792 -3.354 -6.919 1.00 0.00 O ATOM 356 CB PHE A 22 3.471 -0.584 -8.081 1.00 0.00 C ATOM 357 CG PHE A 22 2.515 -1.637 -8.587 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.003 -2.742 -9.292 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.140 -1.508 -8.349 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.119 -3.719 -9.759 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.256 -2.486 -8.816 1.00 0.00 C ATOM 362 CZ PHE A 22 0.745 -3.591 -9.522 1.00 0.00 C ATOM 0 H PHE A 22 4.888 0.923 -6.686 1.00 0.00 H new ATOM 0 HA PHE A 22 3.321 -1.440 -6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.943 0.357 -7.925 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.247 -0.395 -8.823 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.063 -2.840 -9.476 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.763 -0.654 -7.805 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.496 -4.573 -10.303 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.804 -2.389 -8.632 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.062 -4.345 -9.884 1.00 0.00 H new ATOM 372 N ILE A 23 6.334 -1.856 -7.374 1.00 0.00 N ATOM 373 CA ILE A 23 7.335 -2.920 -7.633 1.00 0.00 C ATOM 374 C ILE A 23 7.703 -3.591 -6.311 1.00 0.00 C ATOM 375 O ILE A 23 7.511 -4.777 -6.131 1.00 0.00 O ATOM 376 CB ILE A 23 8.575 -2.293 -8.268 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.211 -1.735 -9.647 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.657 -3.357 -8.418 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.372 -0.895 -10.185 1.00 0.00 C ATOM 0 H ILE A 23 6.674 -0.900 -7.481 1.00 0.00 H new ATOM 0 HA ILE A 23 6.924 -3.668 -8.311 1.00 0.00 H new ATOM 0 HB ILE A 23 8.944 -1.486 -7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.991 -2.552 -10.334 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.310 -1.126 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.544 -2.913 -8.871 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.912 -3.757 -7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.290 -4.163 -9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.111 -0.499 -11.166 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.571 -0.069 -9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.263 -1.518 -10.271 1.00 0.00 H new ATOM 391 N LEU A 24 8.231 -2.843 -5.383 1.00 0.00 N ATOM 392 CA LEU A 24 8.613 -3.443 -4.071 1.00 0.00 C ATOM 393 C LEU A 24 7.490 -4.363 -3.544 1.00 0.00 C ATOM 394 O LEU A 24 7.760 -5.390 -2.954 1.00 0.00 O ATOM 395 CB LEU A 24 8.876 -2.318 -3.058 1.00 0.00 C ATOM 396 CG LEU A 24 9.743 -2.842 -1.890 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.232 -2.776 -2.256 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.504 -1.984 -0.640 1.00 0.00 C ATOM 0 H LEU A 24 8.415 -1.844 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 24 9.514 -4.041 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.380 -1.486 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.930 -1.935 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 24 9.464 -3.877 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.828 -3.148 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.417 -3.389 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.509 -1.743 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.117 -2.357 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.773 -0.949 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.452 -2.035 -0.359 1.00 0.00 H new ATOM 410 N HIS A 25 6.236 -4.022 -3.747 1.00 0.00 N ATOM 411 CA HIS A 25 5.142 -4.903 -3.248 1.00 0.00 C ATOM 412 C HIS A 25 4.990 -6.107 -4.183 1.00 0.00 C ATOM 413 O HIS A 25 4.380 -7.098 -3.835 1.00 0.00 O ATOM 414 CB HIS A 25 3.826 -4.122 -3.203 1.00 0.00 C ATOM 415 CG HIS A 25 3.974 -2.938 -2.289 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.172 -2.253 -2.154 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.085 -2.306 -1.456 1.00 0.00 C ATOM 418 CE1 HIS A 25 4.973 -1.258 -1.270 1.00 0.00 C ATOM 419 NE2 HIS A 25 3.717 -1.245 -0.813 1.00 0.00 N ATOM 0 H HIS A 25 5.931 -3.179 -4.233 1.00 0.00 H new ATOM 0 HA HIS A 25 5.389 -5.249 -2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.554 -3.789 -4.205 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.020 -4.767 -2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.052 -2.589 -1.320 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.735 -0.556 -0.967 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.309 -0.597 -0.139 1.00 0.00 H new ATOM 427 N ASP A 26 5.550 -6.038 -5.361 1.00 0.00 N ATOM 428 CA ASP A 26 5.443 -7.193 -6.299 1.00 0.00 C ATOM 429 C ASP A 26 6.454 -8.266 -5.883 1.00 0.00 C ATOM 430 O ASP A 26 7.579 -8.288 -6.344 1.00 0.00 O ATOM 431 CB ASP A 26 5.741 -6.728 -7.725 1.00 0.00 C ATOM 432 CG ASP A 26 4.726 -5.664 -8.140 1.00 0.00 C ATOM 433 OD1 ASP A 26 3.704 -5.558 -7.481 1.00 0.00 O ATOM 434 OD2 ASP A 26 4.985 -4.973 -9.110 1.00 0.00 O ATOM 0 H ASP A 26 6.074 -5.237 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 26 4.434 -7.604 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.751 -6.323 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.697 -7.574 -8.411 1.00 0.00 H new ATOM 439 N ILE A 27 6.068 -9.142 -4.996 1.00 0.00 N ATOM 440 CA ILE A 27 6.992 -10.200 -4.516 1.00 0.00 C ATOM 441 C ILE A 27 7.236 -11.248 -5.610 1.00 0.00 C ATOM 442 O ILE A 27 8.364 -11.558 -5.934 1.00 0.00 O ATOM 443 CB ILE A 27 6.356 -10.852 -3.292 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.929 -9.755 -2.311 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.351 -11.776 -2.606 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.392 -10.395 -1.028 1.00 0.00 C ATOM 0 H ILE A 27 5.137 -9.167 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 27 7.957 -9.764 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 27 5.492 -11.437 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.776 -9.109 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.163 -9.126 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.882 -12.233 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.663 -12.555 -3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.222 -11.202 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.089 -9.614 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.533 -11.022 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.172 -11.005 -0.572 1.00 0.00 H new ATOM 458 N ASN A 28 6.199 -11.802 -6.181 1.00 0.00 N ATOM 459 CA ASN A 28 6.401 -12.832 -7.249 1.00 0.00 C ATOM 460 C ASN A 28 6.558 -12.147 -8.608 1.00 0.00 C ATOM 461 O ASN A 28 6.542 -12.792 -9.638 1.00 0.00 O ATOM 462 CB ASN A 28 5.200 -13.782 -7.288 1.00 0.00 C ATOM 463 CG ASN A 28 4.894 -14.283 -5.874 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.971 -15.048 -5.677 1.00 0.00 O ATOM 465 ND2 ASN A 28 5.633 -13.883 -4.875 1.00 0.00 N ATOM 0 H ASN A 28 5.227 -11.590 -5.958 1.00 0.00 H new ATOM 0 HA ASN A 28 7.303 -13.402 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.331 -13.268 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.412 -14.625 -7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.435 -14.213 -3.930 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.408 -13.241 -5.039 1.00 0.00 H new ATOM 472 N SER A 29 6.730 -10.852 -8.623 1.00 0.00 N ATOM 473 CA SER A 29 6.909 -10.133 -9.918 1.00 0.00 C ATOM 474 C SER A 29 5.894 -10.635 -10.947 1.00 0.00 C ATOM 475 O SER A 29 6.255 -11.072 -12.022 1.00 0.00 O ATOM 476 CB SER A 29 8.321 -10.379 -10.441 1.00 0.00 C ATOM 477 OG SER A 29 8.391 -11.674 -11.024 1.00 0.00 O ATOM 0 H SER A 29 6.754 -10.260 -7.793 1.00 0.00 H new ATOM 0 HA SER A 29 6.753 -9.066 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.584 -9.621 -11.179 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.042 -10.295 -9.627 1.00 0.00 H new ATOM 0 HG SER A 29 7.845 -11.696 -11.838 1.00 0.00 H new ATOM 483 N ASP A 30 4.625 -10.568 -10.633 1.00 0.00 N ATOM 484 CA ASP A 30 3.582 -11.034 -11.597 1.00 0.00 C ATOM 485 C ASP A 30 3.026 -9.817 -12.341 1.00 0.00 C ATOM 486 O ASP A 30 2.234 -9.935 -13.256 1.00 0.00 O ATOM 487 CB ASP A 30 2.454 -11.722 -10.824 1.00 0.00 C ATOM 488 CG ASP A 30 1.902 -10.764 -9.767 1.00 0.00 C ATOM 489 OD1 ASP A 30 2.472 -9.697 -9.609 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.921 -11.115 -9.133 1.00 0.00 O ATOM 0 H ASP A 30 4.265 -10.210 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 30 4.013 -11.738 -12.308 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.660 -12.022 -11.508 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.825 -12.630 -10.349 1.00 0.00 H new ATOM 495 N GLY A 31 3.441 -8.647 -11.941 1.00 0.00 N ATOM 496 CA GLY A 31 2.956 -7.399 -12.595 1.00 0.00 C ATOM 497 C GLY A 31 1.570 -7.033 -12.057 1.00 0.00 C ATOM 498 O GLY A 31 1.012 -6.014 -12.412 1.00 0.00 O ATOM 0 H GLY A 31 4.104 -8.501 -11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.655 -6.584 -12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.911 -7.538 -13.675 1.00 0.00 H new ATOM 502 N VAL A 32 1.018 -7.837 -11.176 1.00 0.00 N ATOM 503 CA VAL A 32 -0.323 -7.510 -10.588 1.00 0.00 C ATOM 504 C VAL A 32 -0.331 -7.949 -9.114 1.00 0.00 C ATOM 505 O VAL A 32 0.492 -8.743 -8.702 1.00 0.00 O ATOM 506 CB VAL A 32 -1.449 -8.223 -11.383 1.00 0.00 C ATOM 507 CG1 VAL A 32 -1.029 -8.383 -12.844 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.760 -9.607 -10.789 1.00 0.00 C ATOM 0 H VAL A 32 1.437 -8.704 -10.839 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.505 -6.437 -10.648 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.347 -7.609 -11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.823 -8.884 -13.398 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.847 -7.401 -13.280 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.118 -8.978 -12.897 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.553 -10.081 -11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.864 -10.227 -10.824 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.084 -9.494 -9.754 1.00 0.00 H new ATOM 518 N LEU A 33 -1.266 -7.470 -8.331 1.00 0.00 N ATOM 519 CA LEU A 33 -1.346 -7.897 -6.881 1.00 0.00 C ATOM 520 C LEU A 33 -2.632 -8.707 -6.680 1.00 0.00 C ATOM 521 O LEU A 33 -3.714 -8.258 -7.001 1.00 0.00 O ATOM 522 CB LEU A 33 -1.355 -6.675 -5.928 1.00 0.00 C ATOM 523 CG LEU A 33 -0.121 -5.785 -6.166 1.00 0.00 C ATOM 524 CD1 LEU A 33 -0.070 -4.705 -5.080 1.00 0.00 C ATOM 525 CD2 LEU A 33 1.162 -6.631 -6.103 1.00 0.00 C ATOM 0 H LEU A 33 -1.980 -6.803 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.468 -8.498 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.264 -6.093 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.369 -7.016 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.193 -5.324 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.801 -4.069 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.975 -4.099 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.001 -5.177 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.028 -5.991 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.242 -7.098 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.126 -7.404 -6.870 1.00 0.00 H new ATOM 537 N ASP A 34 -2.519 -9.905 -6.153 1.00 0.00 N ATOM 538 CA ASP A 34 -3.734 -10.763 -5.932 1.00 0.00 C ATOM 539 C ASP A 34 -4.109 -10.756 -4.446 1.00 0.00 C ATOM 540 O ASP A 34 -3.405 -10.214 -3.617 1.00 0.00 O ATOM 541 CB ASP A 34 -3.445 -12.204 -6.381 1.00 0.00 C ATOM 542 CG ASP A 34 -2.359 -12.804 -5.490 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.716 -12.044 -4.786 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.188 -14.011 -5.526 1.00 0.00 O ATOM 0 H ASP A 34 -1.637 -10.328 -5.865 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.562 -10.363 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.353 -12.804 -6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.124 -12.215 -7.422 1.00 0.00 H new ATOM 549 N GLU A 35 -5.218 -11.357 -4.112 1.00 0.00 N ATOM 550 CA GLU A 35 -5.664 -11.397 -2.686 1.00 0.00 C ATOM 551 C GLU A 35 -4.569 -12.006 -1.808 1.00 0.00 C ATOM 552 O GLU A 35 -4.651 -11.972 -0.599 1.00 0.00 O ATOM 553 CB GLU A 35 -6.934 -12.240 -2.575 1.00 0.00 C ATOM 554 CG GLU A 35 -8.134 -11.446 -3.100 1.00 0.00 C ATOM 555 CD GLU A 35 -9.387 -12.323 -3.053 1.00 0.00 C ATOM 556 OE1 GLU A 35 -9.304 -13.465 -3.476 1.00 0.00 O ATOM 557 OE2 GLU A 35 -10.408 -11.839 -2.594 1.00 0.00 O ATOM 0 H GLU A 35 -5.841 -11.826 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.866 -10.381 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.820 -13.162 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.102 -12.525 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.282 -10.550 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.946 -11.116 -4.122 1.00 0.00 H new ATOM 564 N GLN A 36 -3.541 -12.544 -2.391 1.00 0.00 N ATOM 565 CA GLN A 36 -2.444 -13.128 -1.566 1.00 0.00 C ATOM 566 C GLN A 36 -1.495 -12.008 -1.146 1.00 0.00 C ATOM 567 O GLN A 36 -1.069 -11.933 -0.011 1.00 0.00 O ATOM 568 CB GLN A 36 -1.676 -14.172 -2.380 1.00 0.00 C ATOM 569 CG GLN A 36 -2.651 -15.221 -2.916 1.00 0.00 C ATOM 570 CD GLN A 36 -3.107 -16.130 -1.768 1.00 0.00 C ATOM 571 OE1 GLN A 36 -3.907 -17.021 -1.968 1.00 0.00 O ATOM 572 NE2 GLN A 36 -2.628 -15.944 -0.563 1.00 0.00 N ATOM 0 H GLN A 36 -3.409 -12.607 -3.400 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.866 -13.610 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.153 -13.691 -3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.919 -14.649 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.513 -14.733 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.172 -15.814 -3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.956 -15.196 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.927 -16.547 0.203 1.00 0.00 H new ATOM 581 N GLU A 37 -1.170 -11.128 -2.052 1.00 0.00 N ATOM 582 CA GLU A 37 -0.260 -10.005 -1.697 1.00 0.00 C ATOM 583 C GLU A 37 -1.009 -9.041 -0.775 1.00 0.00 C ATOM 584 O GLU A 37 -0.421 -8.376 0.054 1.00 0.00 O ATOM 585 CB GLU A 37 0.185 -9.270 -2.972 1.00 0.00 C ATOM 586 CG GLU A 37 1.313 -10.052 -3.654 1.00 0.00 C ATOM 587 CD GLU A 37 0.843 -11.476 -3.960 1.00 0.00 C ATOM 588 OE1 GLU A 37 0.735 -12.256 -3.028 1.00 0.00 O ATOM 589 OE2 GLU A 37 0.604 -11.762 -5.121 1.00 0.00 O ATOM 0 H GLU A 37 -1.494 -11.138 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 37 0.625 -10.390 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.659 -9.161 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.525 -8.265 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.610 -9.551 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.191 -10.079 -3.009 1.00 0.00 H new ATOM 596 N LEU A 38 -2.308 -8.961 -0.912 1.00 0.00 N ATOM 597 CA LEU A 38 -3.102 -8.041 -0.043 1.00 0.00 C ATOM 598 C LEU A 38 -3.388 -8.742 1.296 1.00 0.00 C ATOM 599 O LEU A 38 -3.330 -8.130 2.343 1.00 0.00 O ATOM 600 CB LEU A 38 -4.437 -7.676 -0.742 1.00 0.00 C ATOM 601 CG LEU A 38 -4.278 -6.507 -1.756 1.00 0.00 C ATOM 602 CD1 LEU A 38 -3.204 -6.818 -2.811 1.00 0.00 C ATOM 603 CD2 LEU A 38 -5.613 -6.275 -2.482 1.00 0.00 C ATOM 0 H LEU A 38 -2.854 -9.494 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.538 -7.126 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.823 -8.553 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.175 -7.401 0.012 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.978 -5.621 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.120 -5.980 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.245 -6.979 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.484 -7.716 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.503 -5.456 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.900 -7.182 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.384 -6.022 -1.754 1.00 0.00 H new ATOM 615 N GLU A 39 -3.680 -10.017 1.281 1.00 0.00 N ATOM 616 CA GLU A 39 -3.946 -10.725 2.566 1.00 0.00 C ATOM 617 C GLU A 39 -2.670 -10.710 3.408 1.00 0.00 C ATOM 618 O GLU A 39 -2.682 -10.368 4.575 1.00 0.00 O ATOM 619 CB GLU A 39 -4.360 -12.177 2.286 1.00 0.00 C ATOM 620 CG GLU A 39 -5.843 -12.227 1.898 1.00 0.00 C ATOM 621 CD GLU A 39 -6.158 -13.580 1.257 1.00 0.00 C ATOM 622 OE1 GLU A 39 -5.427 -14.521 1.518 1.00 0.00 O ATOM 623 OE2 GLU A 39 -7.125 -13.652 0.517 1.00 0.00 O ATOM 0 H GLU A 39 -3.745 -10.593 0.442 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.753 -10.225 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.750 -12.591 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.184 -12.792 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.466 -12.077 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.075 -11.420 1.203 1.00 0.00 H new ATOM 630 N ALA A 40 -1.569 -11.087 2.822 1.00 0.00 N ATOM 631 CA ALA A 40 -0.288 -11.109 3.578 1.00 0.00 C ATOM 632 C ALA A 40 0.156 -9.683 3.927 1.00 0.00 C ATOM 633 O ALA A 40 0.848 -9.464 4.902 1.00 0.00 O ATOM 634 CB ALA A 40 0.785 -11.777 2.731 1.00 0.00 C ATOM 0 H ALA A 40 -1.502 -11.382 1.848 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.436 -11.667 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.725 -11.795 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.482 -12.798 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.918 -11.218 1.805 1.00 0.00 H new ATOM 640 N LEU A 41 -0.211 -8.713 3.130 1.00 0.00 N ATOM 641 CA LEU A 41 0.222 -7.311 3.412 1.00 0.00 C ATOM 642 C LEU A 41 -0.601 -6.703 4.567 1.00 0.00 C ATOM 643 O LEU A 41 -0.120 -5.855 5.290 1.00 0.00 O ATOM 644 CB LEU A 41 0.079 -6.470 2.130 1.00 0.00 C ATOM 645 CG LEU A 41 0.397 -4.995 2.403 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.778 -4.858 3.061 1.00 0.00 C ATOM 647 CD2 LEU A 41 0.381 -4.237 1.071 1.00 0.00 C ATOM 0 H LEU A 41 -0.790 -8.830 2.298 1.00 0.00 H new ATOM 0 HA LEU A 41 1.267 -7.313 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.750 -6.854 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.935 -6.561 1.742 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.349 -4.581 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.989 -3.805 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.787 -5.403 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.539 -5.268 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.606 -3.185 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.130 -4.660 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.605 -4.326 0.614 1.00 0.00 H new ATOM 659 N PHE A 42 -1.827 -7.123 4.772 1.00 0.00 N ATOM 660 CA PHE A 42 -2.606 -6.531 5.908 1.00 0.00 C ATOM 661 C PHE A 42 -2.069 -7.113 7.219 1.00 0.00 C ATOM 662 O PHE A 42 -1.777 -6.398 8.163 1.00 0.00 O ATOM 663 CB PHE A 42 -4.114 -6.843 5.790 1.00 0.00 C ATOM 664 CG PHE A 42 -4.714 -6.237 4.519 1.00 0.00 C ATOM 665 CD1 PHE A 42 -4.504 -4.881 4.190 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.479 -7.042 3.654 1.00 0.00 C ATOM 667 CE1 PHE A 42 -5.045 -4.354 3.011 1.00 0.00 C ATOM 668 CE2 PHE A 42 -6.020 -6.504 2.483 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.800 -5.164 2.159 1.00 0.00 C ATOM 0 H PHE A 42 -2.312 -7.830 4.220 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.488 -5.448 5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.264 -7.923 5.786 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.637 -6.452 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.926 -4.249 4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.649 -8.081 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.878 -3.317 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.610 -7.127 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.213 -4.753 1.250 1.00 0.00 H new ATOM 679 N THR A 43 -1.933 -8.408 7.283 1.00 0.00 N ATOM 680 CA THR A 43 -1.419 -9.048 8.524 1.00 0.00 C ATOM 681 C THR A 43 -0.034 -8.492 8.873 1.00 0.00 C ATOM 682 O THR A 43 0.315 -8.355 10.027 1.00 0.00 O ATOM 683 CB THR A 43 -1.316 -10.559 8.302 1.00 0.00 C ATOM 684 OG1 THR A 43 -2.614 -11.093 8.083 1.00 0.00 O ATOM 685 CG2 THR A 43 -0.692 -11.218 9.533 1.00 0.00 C ATOM 0 H THR A 43 -2.157 -9.053 6.525 1.00 0.00 H new ATOM 0 HA THR A 43 -2.103 -8.836 9.346 1.00 0.00 H new ATOM 0 HB THR A 43 -0.690 -10.756 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.550 -12.060 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.620 -12.294 9.373 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.304 -10.808 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.315 -11.022 10.406 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.838 -3.840 10.956 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.607 -4.835 9.869 1.00 0.00 C ATOM 1059 C ARG A 66 -9.543 -4.538 8.687 1.00 0.00 C ATOM 1060 O ARG A 66 -9.125 -4.491 7.547 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.894 -6.245 10.425 1.00 0.00 C ATOM 1062 CG ARG A 66 -8.045 -7.294 9.690 1.00 0.00 C ATOM 1063 CD ARG A 66 -8.663 -8.699 9.851 1.00 0.00 C ATOM 1064 NE ARG A 66 -7.572 -9.701 10.066 1.00 0.00 N ATOM 1065 CZ ARG A 66 -6.512 -9.719 9.300 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -6.457 -8.977 8.228 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -5.523 -10.523 9.583 1.00 0.00 N ATOM 0 HA ARG A 66 -7.575 -4.777 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.675 -6.273 11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.952 -6.479 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.977 -7.039 8.632 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.029 -7.290 10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.353 -8.710 10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.240 -8.958 8.963 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.657 -10.381 10.822 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.244 -8.377 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.627 -8.997 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.579 -11.133 10.398 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.694 -10.541 8.989 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.803 -4.347 8.955 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.767 -4.065 7.853 1.00 0.00 C ATOM 1083 C LEU A 67 -11.562 -2.632 7.339 1.00 0.00 C ATOM 1084 O LEU A 67 -11.845 -2.331 6.196 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.210 -4.283 8.366 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.799 -2.984 8.965 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.326 -2.042 7.844 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.942 -3.343 9.930 1.00 0.00 C ATOM 0 H LEU A 67 -11.209 -4.374 9.890 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.594 -4.747 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.841 -4.626 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -13.214 -5.068 9.122 1.00 0.00 H new ATOM 0 HG LEU A 67 -13.011 -2.458 9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.735 -1.136 8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.507 -1.778 7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.106 -2.551 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.360 -2.430 10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.720 -3.881 9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.557 -3.973 10.732 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.081 -1.748 8.168 1.00 0.00 N ATOM 1101 CA ARG A 68 -10.875 -0.343 7.712 1.00 0.00 C ATOM 1102 C ARG A 68 -9.893 -0.329 6.532 1.00 0.00 C ATOM 1103 O ARG A 68 -10.074 0.400 5.577 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.325 0.500 8.882 1.00 0.00 C ATOM 1105 CG ARG A 68 -10.589 2.010 8.660 1.00 0.00 C ATOM 1106 CD ARG A 68 -9.428 2.650 7.888 1.00 0.00 C ATOM 1107 NE ARG A 68 -8.170 2.497 8.671 1.00 0.00 N ATOM 1108 CZ ARG A 68 -7.015 2.708 8.100 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -6.963 3.047 6.841 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -5.914 2.579 8.787 1.00 0.00 N ATOM 0 H ARG A 68 -10.822 -1.935 9.137 1.00 0.00 H new ATOM 0 HA ARG A 68 -11.823 0.084 7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.791 0.180 9.814 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.254 0.327 8.986 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.519 2.145 8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.713 2.509 9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.322 2.177 6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.633 3.706 7.710 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.211 2.227 9.654 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.824 3.147 6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.061 3.212 6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.955 2.313 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.012 2.744 8.340 1.00 0.00 H new ATOM 1124 N MET A 69 -8.863 -1.136 6.579 1.00 0.00 N ATOM 1125 CA MET A 69 -7.887 -1.167 5.445 1.00 0.00 C ATOM 1126 C MET A 69 -8.388 -2.140 4.372 1.00 0.00 C ATOM 1127 O MET A 69 -8.438 -1.811 3.203 1.00 0.00 O ATOM 1128 CB MET A 69 -6.497 -1.611 5.934 1.00 0.00 C ATOM 1129 CG MET A 69 -6.143 -0.933 7.267 1.00 0.00 C ATOM 1130 SD MET A 69 -4.377 -1.156 7.594 1.00 0.00 S ATOM 1131 CE MET A 69 -4.190 0.196 8.781 1.00 0.00 C ATOM 0 H MET A 69 -8.656 -1.772 7.349 1.00 0.00 H new ATOM 0 HA MET A 69 -7.803 -0.164 5.028 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.479 -2.694 6.056 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.746 -1.362 5.184 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.387 0.129 7.225 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.733 -1.364 8.076 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.413 -0.058 9.502 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.911 1.108 8.253 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.133 0.354 9.305 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.746 -3.334 4.748 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.227 -4.317 3.737 1.00 0.00 C ATOM 1143 C ARG A 70 -10.390 -3.735 2.923 1.00 0.00 C ATOM 1144 O ARG A 70 -10.429 -3.850 1.713 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.701 -5.584 4.454 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.977 -6.686 3.421 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.593 -7.913 4.106 1.00 0.00 C ATOM 1148 NE ARG A 70 -10.805 -8.986 3.094 1.00 0.00 N ATOM 1149 CZ ARG A 70 -11.027 -10.214 3.479 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -11.058 -10.502 4.752 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -11.216 -11.152 2.593 1.00 0.00 N ATOM 0 H ARG A 70 -8.727 -3.673 5.710 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.407 -4.550 3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.944 -5.918 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.604 -5.374 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.653 -6.312 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.050 -6.967 2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.936 -8.270 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.541 -7.646 4.574 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.777 -8.761 2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.909 -9.768 5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.231 -11.461 5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.190 -10.927 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.389 -12.111 2.895 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.355 -3.140 3.573 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.527 -2.588 2.836 1.00 0.00 C ATOM 1167 C GLU A 71 -12.160 -1.296 2.092 1.00 0.00 C ATOM 1168 O GLU A 71 -12.402 -1.166 0.909 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.644 -2.297 3.842 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.973 -2.171 3.105 1.00 0.00 C ATOM 1171 CD GLU A 71 -16.079 -1.806 4.097 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -15.845 -0.937 4.921 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -17.140 -2.401 4.015 1.00 0.00 O ATOM 0 H GLU A 71 -11.381 -3.013 4.585 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.855 -3.320 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.700 -3.097 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.428 -1.377 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.899 -1.408 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.214 -3.110 2.606 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.597 -0.334 2.772 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.240 0.947 2.091 1.00 0.00 C ATOM 1182 C HIS A 72 -10.361 0.670 0.868 1.00 0.00 C ATOM 1183 O HIS A 72 -10.533 1.277 -0.170 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.493 1.864 3.066 1.00 0.00 C ATOM 1185 CG HIS A 72 -10.374 3.239 2.470 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -11.464 4.083 2.331 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -9.299 3.930 1.969 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -11.025 5.223 1.768 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -9.711 5.183 1.528 1.00 0.00 N ATOM 0 H HIS A 72 -11.369 -0.378 3.765 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.157 1.438 1.764 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.025 1.913 4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.503 1.460 3.276 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.286 3.557 1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.657 6.068 1.538 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.134 5.914 1.111 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.424 -0.232 0.966 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.560 -0.514 -0.216 1.00 0.00 C ATOM 1199 C VAL A 73 -9.361 -1.293 -1.263 1.00 0.00 C ATOM 1200 O VAL A 73 -9.432 -0.909 -2.413 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.339 -1.337 0.213 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.569 -1.791 -1.031 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.427 -0.480 1.099 1.00 0.00 C ATOM 0 H VAL A 73 -9.220 -0.780 1.802 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.222 0.430 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.668 -2.211 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.701 -2.376 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.218 -2.403 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.239 -0.918 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.560 -1.066 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.096 0.395 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.976 -0.159 1.984 1.00 0.00 H new ATOM 1213 N MET A 74 -9.960 -2.387 -0.879 1.00 0.00 N ATOM 1214 CA MET A 74 -10.745 -3.183 -1.862 1.00 0.00 C ATOM 1215 C MET A 74 -11.939 -2.367 -2.358 1.00 0.00 C ATOM 1216 O MET A 74 -12.535 -2.693 -3.357 1.00 0.00 O ATOM 1217 CB MET A 74 -11.248 -4.478 -1.209 1.00 0.00 C ATOM 1218 CG MET A 74 -10.077 -5.439 -0.959 1.00 0.00 C ATOM 1219 SD MET A 74 -10.711 -7.130 -0.799 1.00 0.00 S ATOM 1220 CE MET A 74 -10.481 -7.635 -2.523 1.00 0.00 C ATOM 0 H MET A 74 -9.940 -2.762 0.069 1.00 0.00 H new ATOM 0 HA MET A 74 -10.101 -3.432 -2.705 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.746 -4.248 -0.267 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.987 -4.955 -1.853 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.364 -5.382 -1.781 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.543 -5.152 -0.053 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.815 -8.665 -2.648 1.00 0.00 H new ATOM 0 HE2 MET A 74 -11.064 -6.983 -3.174 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.426 -7.561 -2.786 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.315 -1.325 -1.665 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.491 -0.515 -2.116 1.00 0.00 C ATOM 1232 C LYS A 75 -13.024 0.692 -2.941 1.00 0.00 C ATOM 1233 O LYS A 75 -13.672 1.089 -3.888 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.260 -0.018 -0.890 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.586 0.611 -1.343 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.472 0.961 -0.123 1.00 0.00 C ATOM 1237 CE LYS A 75 -16.226 2.398 0.327 1.00 0.00 C ATOM 1238 NZ LYS A 75 -16.913 2.636 1.627 1.00 0.00 N ATOM 0 H LYS A 75 -11.863 -0.999 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.134 -1.140 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.451 -0.845 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.664 0.714 -0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.387 1.511 -1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.117 -0.080 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.523 0.830 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.257 0.276 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.156 2.580 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.597 3.094 -0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.745 3.615 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.935 2.479 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.539 1.980 2.342 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.921 1.299 -2.575 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.434 2.504 -3.321 1.00 0.00 C ATOM 1254 C ASN A 76 -10.345 2.147 -4.348 1.00 0.00 C ATOM 1255 O ASN A 76 -10.001 2.978 -5.165 1.00 0.00 O ATOM 1256 CB ASN A 76 -10.890 3.542 -2.329 1.00 0.00 C ATOM 1257 CG ASN A 76 -12.008 3.986 -1.381 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -12.132 5.156 -1.078 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -12.832 3.097 -0.893 1.00 0.00 N ATOM 0 H ASN A 76 -11.335 1.012 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.281 2.918 -3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.064 3.116 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.495 4.403 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.577 3.386 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.730 2.114 -1.146 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.800 0.944 -4.348 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.743 0.602 -5.372 1.00 0.00 C ATOM 1268 C VAL A 77 -9.250 -0.495 -6.315 1.00 0.00 C ATOM 1269 O VAL A 77 -8.921 -0.504 -7.482 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.454 0.138 -4.690 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.448 -0.295 -5.767 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.857 1.303 -3.893 1.00 0.00 C ATOM 0 H VAL A 77 -10.035 0.196 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.530 1.502 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.670 -0.695 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.526 -0.627 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.870 -1.113 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.234 0.548 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.938 0.977 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.636 2.130 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.572 1.632 -3.138 1.00 0.00 H new ATOM 1282 N ASP A 78 -10.066 -1.406 -5.844 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.590 -2.466 -6.763 1.00 0.00 C ATOM 1284 C ASP A 78 -11.128 -1.796 -8.024 1.00 0.00 C ATOM 1285 O ASP A 78 -12.094 -1.058 -7.988 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.716 -3.241 -6.082 1.00 0.00 C ATOM 1287 CG ASP A 78 -12.923 -2.322 -5.866 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.709 -1.148 -5.614 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -14.037 -2.808 -5.956 1.00 0.00 O ATOM 0 H ASP A 78 -10.389 -1.463 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.788 -3.159 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.003 -4.096 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.372 -3.635 -5.126 1.00 0.00 H new ATOM 1294 N THR A 79 -10.482 -2.003 -9.131 1.00 0.00 N ATOM 1295 CA THR A 79 -10.905 -1.346 -10.393 1.00 0.00 C ATOM 1296 C THR A 79 -11.916 -2.221 -11.146 1.00 0.00 C ATOM 1297 O THR A 79 -13.078 -1.881 -11.241 1.00 0.00 O ATOM 1298 CB THR A 79 -9.641 -1.088 -11.249 1.00 0.00 C ATOM 1299 OG1 THR A 79 -9.815 -1.635 -12.549 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.402 -1.733 -10.578 1.00 0.00 C ATOM 0 H THR A 79 -9.666 -2.609 -9.217 1.00 0.00 H new ATOM 0 HA THR A 79 -11.400 -0.399 -10.177 1.00 0.00 H new ATOM 0 HB THR A 79 -9.486 -0.012 -11.328 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.121 -2.307 -12.717 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.519 -1.545 -11.188 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.258 -1.300 -9.588 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.557 -2.808 -10.485 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.498 -3.342 -11.669 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.456 -4.237 -12.404 1.00 0.00 C ATOM 1310 C ASN A 80 -12.927 -5.325 -11.446 1.00 0.00 C ATOM 1311 O ASN A 80 -13.349 -6.393 -11.843 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.786 -4.857 -13.632 1.00 0.00 C ATOM 1313 CG ASN A 80 -11.107 -3.758 -14.453 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -10.111 -4.000 -15.104 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -11.608 -2.554 -14.449 1.00 0.00 N ATOM 0 H ASN A 80 -10.537 -3.682 -11.623 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.308 -3.655 -12.754 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.052 -5.600 -13.322 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.527 -5.375 -14.241 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.163 -1.815 -14.993 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.445 -2.352 -13.902 1.00 0.00 H new ATOM 1322 N GLN A 81 -12.884 -5.015 -10.182 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.347 -5.948 -9.116 1.00 0.00 C ATOM 1324 C GLN A 81 -13.035 -7.403 -9.483 1.00 0.00 C ATOM 1325 O GLN A 81 -13.709 -8.321 -9.058 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.863 -5.762 -8.912 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.134 -4.614 -7.926 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.597 -3.286 -8.481 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -15.361 -2.371 -8.717 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -13.316 -3.129 -8.704 1.00 0.00 N ATOM 0 H GLN A 81 -12.535 -4.123 -9.831 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.818 -5.720 -8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.342 -5.549 -9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.302 -6.686 -8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.205 -4.531 -7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.662 -4.831 -6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.667 -3.891 -8.509 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.967 -2.244 -9.073 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.002 -7.620 -10.236 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.622 -9.012 -10.595 1.00 0.00 C ATOM 1341 C ASP A 82 -10.812 -9.559 -9.433 1.00 0.00 C ATOM 1342 O ASP A 82 -10.118 -10.549 -9.543 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.764 -9.010 -11.864 1.00 0.00 C ATOM 1344 CG ASP A 82 -10.579 -10.447 -12.355 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -10.993 -11.351 -11.650 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -10.026 -10.618 -13.430 1.00 0.00 O ATOM 0 H ASP A 82 -11.400 -6.893 -10.622 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.506 -9.621 -10.783 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.241 -8.408 -12.638 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.794 -8.556 -11.660 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.879 -8.874 -8.323 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.099 -9.284 -7.126 1.00 0.00 C ATOM 1353 C ARG A 83 -8.622 -9.217 -7.487 1.00 0.00 C ATOM 1354 O ARG A 83 -7.759 -9.558 -6.704 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.470 -10.707 -6.694 1.00 0.00 C ATOM 1356 CG ARG A 83 -12.004 -10.860 -6.669 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.401 -12.201 -6.013 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.533 -12.818 -6.776 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.583 -12.116 -7.113 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -14.741 -10.901 -6.664 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.504 -12.651 -7.868 1.00 0.00 N ATOM 0 H ARG A 83 -11.449 -8.038 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.322 -8.617 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.034 -11.431 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.058 -10.917 -5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.449 -10.032 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.397 -10.814 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.547 -12.878 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.694 -12.037 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.484 -13.803 -7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.042 -10.491 -6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.564 -10.361 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.402 -13.613 -8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.325 -12.107 -8.134 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.334 -8.764 -8.681 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.923 -8.643 -9.147 1.00 0.00 C ATOM 1377 C LEU A 84 -6.713 -7.194 -9.596 1.00 0.00 C ATOM 1378 O LEU A 84 -7.534 -6.623 -10.286 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.707 -9.610 -10.337 1.00 0.00 C ATOM 1380 CG LEU A 84 -6.029 -10.921 -9.870 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.983 -11.738 -8.980 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.648 -11.747 -11.105 1.00 0.00 C ATOM 0 H LEU A 84 -9.032 -8.468 -9.363 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.216 -8.897 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.665 -9.838 -10.804 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.090 -9.127 -11.095 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.140 -10.677 -9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.488 -12.656 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.256 -11.150 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.882 -11.987 -9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.169 -12.674 -10.789 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.545 -11.979 -11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.958 -11.176 -11.726 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.626 -6.597 -9.191 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.346 -5.171 -9.564 1.00 0.00 C ATOM 1396 C VAL A 85 -4.156 -5.117 -10.521 1.00 0.00 C ATOM 1397 O VAL A 85 -3.120 -5.689 -10.250 1.00 0.00 O ATOM 1398 CB VAL A 85 -4.990 -4.388 -8.295 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.539 -2.976 -8.682 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.216 -4.308 -7.376 1.00 0.00 C ATOM 0 H VAL A 85 -4.910 -7.036 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.225 -4.740 -10.044 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.182 -4.896 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.285 -2.416 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.665 -3.038 -9.330 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.346 -2.468 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.960 -3.751 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.029 -3.802 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.532 -5.315 -7.102 1.00 0.00 H new ATOM 1410 N THR A 86 -4.281 -4.418 -11.625 1.00 0.00 N ATOM 1411 CA THR A 86 -3.131 -4.320 -12.583 1.00 0.00 C ATOM 1412 C THR A 86 -2.477 -2.947 -12.431 1.00 0.00 C ATOM 1413 O THR A 86 -3.047 -2.046 -11.852 1.00 0.00 O ATOM 1414 CB THR A 86 -3.631 -4.499 -14.012 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.490 -3.422 -14.356 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.389 -5.821 -14.126 1.00 0.00 C ATOM 0 H THR A 86 -5.123 -3.914 -11.903 1.00 0.00 H new ATOM 0 HA THR A 86 -2.403 -5.101 -12.365 1.00 0.00 H new ATOM 0 HB THR A 86 -2.781 -4.511 -14.694 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.809 -3.538 -15.275 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.746 -5.949 -15.148 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.724 -6.645 -13.869 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.238 -5.813 -13.443 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.296 -2.774 -12.954 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.617 -1.449 -12.846 1.00 0.00 C ATOM 1426 C LEU A 87 -1.411 -0.426 -13.658 1.00 0.00 C ATOM 1427 O LEU A 87 -1.510 0.731 -13.304 1.00 0.00 O ATOM 1428 CB LEU A 87 0.805 -1.568 -13.430 1.00 0.00 C ATOM 1429 CG LEU A 87 1.530 -0.181 -13.498 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.422 0.020 -12.268 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.398 -0.104 -14.763 1.00 0.00 C ATOM 0 H LEU A 87 -0.770 -3.492 -13.452 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.562 -1.135 -11.804 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.392 -2.254 -12.819 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.751 -1.998 -14.430 1.00 0.00 H new ATOM 0 HG LEU A 87 0.771 0.600 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.918 0.989 -12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.811 -0.016 -11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.172 -0.770 -12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.898 0.863 -14.803 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.144 -0.898 -14.741 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.768 -0.223 -15.644 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.955 -0.842 -14.757 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.713 0.099 -15.623 1.00 0.00 C ATOM 1445 C GLU A 88 -3.870 0.746 -14.855 1.00 0.00 C ATOM 1446 O GLU A 88 -3.866 1.933 -14.584 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.278 -0.676 -16.815 1.00 0.00 C ATOM 1448 CG GLU A 88 -2.123 -1.240 -17.647 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.676 -1.872 -18.926 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -3.478 -2.784 -18.814 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -2.285 -1.434 -19.995 1.00 0.00 O ATOM 0 H GLU A 88 -1.909 -1.802 -15.099 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.038 0.887 -15.958 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.919 -1.486 -16.466 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.897 -0.021 -17.428 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.419 -0.446 -17.896 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.574 -1.984 -17.069 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.872 -0.018 -14.525 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.043 0.558 -13.807 1.00 0.00 C ATOM 1460 C GLU A 89 -5.627 1.110 -12.433 1.00 0.00 C ATOM 1461 O GLU A 89 -6.212 2.053 -11.939 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.114 -0.521 -13.616 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.796 -0.862 -14.944 1.00 0.00 C ATOM 1464 CD GLU A 89 -8.574 0.351 -15.460 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -9.657 0.594 -14.955 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -8.072 1.014 -16.352 1.00 0.00 O ATOM 0 H GLU A 89 -4.931 -1.017 -14.721 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.443 1.376 -14.406 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.660 -1.418 -13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.859 -0.176 -12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.050 -1.165 -15.678 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.471 -1.707 -14.809 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.635 0.533 -11.804 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.212 1.035 -10.463 1.00 0.00 C ATOM 1475 C PHE A 90 -3.757 2.497 -10.586 1.00 0.00 C ATOM 1476 O PHE A 90 -4.208 3.363 -9.861 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.072 0.152 -9.951 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.284 0.856 -8.861 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -2.900 1.176 -7.645 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -0.938 1.187 -9.073 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.169 1.828 -6.642 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.210 1.836 -8.071 1.00 0.00 C ATOM 1483 CZ PHE A 90 -0.825 2.157 -6.857 1.00 0.00 C ATOM 0 H PHE A 90 -4.102 -0.261 -12.160 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.042 0.993 -9.758 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.477 -0.783 -9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.408 -0.105 -10.776 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.936 0.921 -7.480 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.463 0.940 -10.011 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.642 2.076 -5.704 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.827 2.089 -8.235 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.263 2.659 -6.084 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.881 2.775 -11.510 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.411 4.180 -11.696 1.00 0.00 C ATOM 1495 C LEU A 91 -3.642 5.091 -11.815 1.00 0.00 C ATOM 1496 O LEU A 91 -3.736 6.115 -11.167 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.554 4.269 -12.988 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.026 4.269 -12.661 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.381 5.585 -11.967 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.351 3.080 -11.757 1.00 0.00 C ATOM 0 H LEU A 91 -2.469 2.092 -12.145 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.802 4.494 -10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.788 3.427 -13.640 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.810 5.177 -13.535 1.00 0.00 H new ATOM 0 HG LEU A 91 0.510 4.176 -13.606 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.448 5.566 -11.747 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.161 6.426 -12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.178 5.695 -11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.420 3.107 -11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.204 3.144 -10.821 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.104 2.146 -12.262 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.581 4.721 -12.645 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.806 5.557 -12.823 1.00 0.00 C ATOM 1514 C ALA A 92 -6.338 6.026 -11.462 1.00 0.00 C ATOM 1515 O ALA A 92 -6.632 7.188 -11.267 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.882 4.726 -13.524 1.00 0.00 C ATOM 0 H ALA A 92 -4.553 3.872 -13.210 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.554 6.431 -13.423 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.779 5.330 -13.657 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.515 4.402 -14.498 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.120 3.852 -12.917 1.00 0.00 H new ATOM 1522 N SER A 93 -6.484 5.129 -10.527 1.00 0.00 N ATOM 1523 CA SER A 93 -7.017 5.516 -9.191 1.00 0.00 C ATOM 1524 C SER A 93 -6.104 6.554 -8.527 1.00 0.00 C ATOM 1525 O SER A 93 -6.556 7.373 -7.753 1.00 0.00 O ATOM 1526 CB SER A 93 -7.097 4.274 -8.303 1.00 0.00 C ATOM 1527 OG SER A 93 -7.921 3.302 -8.932 1.00 0.00 O ATOM 0 H SER A 93 -6.256 4.140 -10.631 1.00 0.00 H new ATOM 0 HA SER A 93 -8.008 5.951 -9.320 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.100 3.868 -8.134 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.504 4.536 -7.326 1.00 0.00 H new ATOM 0 HG SER A 93 -7.974 2.503 -8.367 1.00 0.00 H new ATOM 1533 N THR A 94 -4.824 6.525 -8.812 1.00 0.00 N ATOM 1534 CA THR A 94 -3.888 7.513 -8.179 1.00 0.00 C ATOM 1535 C THR A 94 -3.610 8.673 -9.140 1.00 0.00 C ATOM 1536 O THR A 94 -2.915 9.610 -8.803 1.00 0.00 O ATOM 1537 CB THR A 94 -2.571 6.818 -7.827 1.00 0.00 C ATOM 1538 OG1 THR A 94 -1.869 6.505 -9.022 1.00 0.00 O ATOM 1539 CG2 THR A 94 -2.859 5.533 -7.050 1.00 0.00 C ATOM 0 H THR A 94 -4.386 5.863 -9.453 1.00 0.00 H new ATOM 0 HA THR A 94 -4.351 7.906 -7.274 1.00 0.00 H new ATOM 0 HB THR A 94 -1.964 7.482 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.510 6.355 -9.748 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.919 5.040 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.396 5.775 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.467 4.866 -7.662 1.00 0.00 H new