USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 523 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 38 CYS SG : rot -138:sc= -0.968 USER MOD Set 1.2: A 41 CYS SG : rot 180:sc= -0.963 USER MOD Set 1.3: A 64 CYS SG : rot 27:sc= 0.0133 USER MOD Set 1.4: A 65 HIS : no HE2:sc= -11.8! C(o=-23!,f=-17!) USER MOD Set 1.5: A 68 HIS : no HD1:sc= -9.37! C(o=-23!,f=-22!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -4.86! K(o=-12!,f=-13) USER MOD Set 2.2: A 57 CYS SG : rot 60:sc= -0.428 USER MOD Set 2.3: A 60 CYS SG : rot -46:sc= -3.17! USER MOD Set 2.4: A 79 CYS SG : rot 100:sc= -3.37! USER MOD Set 3.1: A 22 HIS : no HD1:sc= -0.583 X(o=-2.4,f=-2.8) USER MOD Set 3.2: A 69 MET CE :methyl -119:sc= -1.86 (180deg=-2.42) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 29:sc= 0.0794 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-2.7!) USER MOD Single : A 36 THR OG1 : rot -172:sc= 1.46 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 160:sc=-0.000471 (180deg=-0.602) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.31) USER MOD Single : A 48 MET CE :methyl 149:sc= -2.95 (180deg=-5.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= -0.417 (180deg=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.174 -2.651 8.233 1.00 0.00 N ATOM 268 CA ASN A 18 6.186 -3.363 9.035 1.00 0.00 C ATOM 269 C ASN A 18 4.996 -3.778 8.177 1.00 0.00 C ATOM 270 O ASN A 18 4.918 -3.425 7.001 1.00 0.00 O ATOM 271 CB ASN A 18 5.716 -2.486 10.199 1.00 0.00 C ATOM 272 CG ASN A 18 6.256 -2.960 11.534 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.921 -4.049 12.001 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.098 -2.143 12.156 1.00 0.00 N ATOM 0 HA ASN A 18 6.653 -4.262 9.437 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.033 -1.457 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.626 -2.483 10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.494 -2.409 13.057 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.348 -1.250 11.732 1.00 0.00 H new ATOM 281 N TYR A 19 4.073 -4.531 8.764 1.00 0.00 N ATOM 282 CA TYR A 19 2.893 -4.987 8.034 1.00 0.00 C ATOM 283 C TYR A 19 1.628 -4.820 8.869 1.00 0.00 C ATOM 284 O TYR A 19 1.497 -5.401 9.947 1.00 0.00 O ATOM 285 CB TYR A 19 3.042 -6.454 7.611 1.00 0.00 C ATOM 286 CG TYR A 19 4.473 -6.951 7.598 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.415 -6.388 6.746 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.880 -7.981 8.436 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.722 -6.838 6.730 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.185 -8.436 8.428 1.00 0.00 C ATOM 291 CZ TYR A 19 7.101 -7.861 7.573 1.00 0.00 C ATOM 292 OH TYR A 19 8.402 -8.310 7.560 1.00 0.00 O ATOM 0 H TYR A 19 4.116 -4.838 9.736 1.00 0.00 H new ATOM 0 HA TYR A 19 2.806 -4.368 7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.458 -7.077 8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.616 -6.579 6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.121 -5.586 6.085 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.164 -8.434 9.106 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.442 -6.391 6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.485 -9.237 9.087 1.00 0.00 H new ATOM 0 HH TYR A 19 8.505 -9.033 8.213 1.00 0.00 H new ATOM 302 N ILE A 20 0.694 -4.026 8.355 1.00 0.00 N ATOM 303 CA ILE A 20 -0.568 -3.780 9.037 1.00 0.00 C ATOM 304 C ILE A 20 -1.496 -4.984 8.898 1.00 0.00 C ATOM 305 O ILE A 20 -2.062 -5.226 7.831 1.00 0.00 O ATOM 306 CB ILE A 20 -1.269 -2.526 8.469 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.422 -1.279 8.734 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.660 -2.366 9.066 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.393 -0.837 7.537 1.00 0.00 C ATOM 0 H ILE A 20 0.790 -3.540 7.463 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.347 -3.614 10.091 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.377 -2.651 7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.077 -0.463 9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.251 -1.477 9.569 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.134 -1.476 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.262 -3.243 8.827 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.582 -2.264 10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.968 0.052 7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.073 -1.637 7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.275 -0.607 6.707 1.00 0.00 H new ATOM 321 N CYS A 21 -1.641 -5.734 9.986 1.00 0.00 N ATOM 322 CA CYS A 21 -2.497 -6.915 9.992 1.00 0.00 C ATOM 323 C CYS A 21 -3.968 -6.520 10.043 1.00 0.00 C ATOM 324 O CYS A 21 -4.360 -5.641 10.810 1.00 0.00 O ATOM 325 CB CYS A 21 -2.154 -7.812 11.183 1.00 0.00 C ATOM 326 SG CYS A 21 -2.306 -6.995 12.789 1.00 0.00 S ATOM 0 H CYS A 21 -1.177 -5.545 10.874 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.321 -7.467 9.069 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.808 -8.684 11.168 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.133 -8.177 11.068 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.212 -6.066 12.719 1.00 0.00 H new ATOM 332 N HIS A 22 -4.778 -7.179 9.223 1.00 0.00 N ATOM 333 CA HIS A 22 -6.207 -6.901 9.172 1.00 0.00 C ATOM 334 C HIS A 22 -6.975 -8.120 8.668 1.00 0.00 C ATOM 335 O HIS A 22 -6.392 -9.180 8.444 1.00 0.00 O ATOM 336 CB HIS A 22 -6.479 -5.695 8.270 1.00 0.00 C ATOM 337 CG HIS A 22 -7.632 -4.854 8.722 1.00 0.00 C ATOM 338 ND1 HIS A 22 -7.853 -4.524 10.043 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.634 -4.273 8.019 1.00 0.00 C ATOM 340 CE1 HIS A 22 -8.939 -3.777 10.134 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.431 -3.610 8.921 1.00 0.00 N ATOM 0 H HIS A 22 -4.468 -7.911 8.583 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.549 -6.671 10.181 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.583 -5.075 8.227 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.672 -6.047 7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.779 -4.322 6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.353 -3.372 11.046 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.268 -3.075 8.690 1.00 0.00 H new ATOM 350 N LYS A 23 -8.285 -7.962 8.495 1.00 0.00 N ATOM 351 CA LYS A 23 -9.136 -9.050 8.017 1.00 0.00 C ATOM 352 C LYS A 23 -8.565 -9.688 6.754 1.00 0.00 C ATOM 353 O LYS A 23 -8.860 -9.252 5.644 1.00 0.00 O ATOM 354 CB LYS A 23 -10.550 -8.531 7.734 1.00 0.00 C ATOM 355 CG LYS A 23 -10.574 -7.149 7.100 1.00 0.00 C ATOM 356 CD LYS A 23 -11.821 -6.943 6.256 1.00 0.00 C ATOM 357 CE LYS A 23 -13.087 -7.090 7.086 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.339 -5.892 7.934 1.00 0.00 N ATOM 0 H LYS A 23 -8.781 -7.090 8.679 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.175 -9.808 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.061 -9.233 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.112 -8.503 8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.532 -6.389 7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.688 -7.017 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.795 -5.952 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.833 -7.666 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.938 -7.251 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.004 -7.973 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.211 -6.033 8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.539 -5.752 8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.444 -5.053 7.328 1.00 0.00 H new ATOM 372 N GLY A 24 -7.747 -10.720 6.930 1.00 0.00 N ATOM 373 CA GLY A 24 -7.153 -11.393 5.789 1.00 0.00 C ATOM 374 C GLY A 24 -6.289 -10.472 4.948 1.00 0.00 C ATOM 375 O GLY A 24 -5.923 -10.820 3.827 1.00 0.00 O ATOM 0 H GLY A 24 -7.485 -11.102 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.549 -12.230 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.944 -11.810 5.166 1.00 0.00 H new ATOM 379 N HIS A 25 -5.964 -9.296 5.482 1.00 0.00 N ATOM 380 CA HIS A 25 -5.144 -8.337 4.755 1.00 0.00 C ATOM 381 C HIS A 25 -3.925 -7.897 5.561 1.00 0.00 C ATOM 382 O HIS A 25 -4.023 -7.601 6.751 1.00 0.00 O ATOM 383 CB HIS A 25 -5.980 -7.115 4.351 1.00 0.00 C ATOM 384 CG HIS A 25 -6.050 -6.937 2.871 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.951 -6.121 2.214 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.307 -7.522 1.911 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.724 -6.250 0.894 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.734 -7.092 0.672 1.00 0.00 N ATOM 0 H HIS A 25 -6.255 -8.988 6.410 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.781 -8.837 3.857 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.989 -7.221 4.749 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.551 -6.220 4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.501 -8.220 2.085 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.277 -5.735 0.122 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.359 -7.370 -0.235 1.00 0.00 H new ATOM 396 N GLU A 26 -2.778 -7.850 4.887 1.00 0.00 N ATOM 397 CA GLU A 26 -1.528 -7.436 5.511 1.00 0.00 C ATOM 398 C GLU A 26 -0.928 -6.262 4.742 1.00 0.00 C ATOM 399 O GLU A 26 -0.004 -6.434 3.947 1.00 0.00 O ATOM 400 CB GLU A 26 -0.538 -8.601 5.548 1.00 0.00 C ATOM 401 CG GLU A 26 -0.531 -9.352 6.870 1.00 0.00 C ATOM 402 CD GLU A 26 0.212 -10.671 6.788 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.448 -10.647 6.611 1.00 0.00 O ATOM 404 OE2 GLU A 26 -0.443 -11.729 6.899 1.00 0.00 O ATOM 0 H GLU A 26 -2.691 -8.096 3.901 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.734 -7.124 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.779 -9.298 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.464 -8.221 5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.071 -8.727 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.558 -9.537 7.184 1.00 0.00 H new ATOM 411 N PHE A 27 -1.472 -5.074 4.978 1.00 0.00 N ATOM 412 CA PHE A 27 -1.005 -3.868 4.300 1.00 0.00 C ATOM 413 C PHE A 27 0.405 -3.498 4.736 1.00 0.00 C ATOM 414 O PHE A 27 0.884 -3.947 5.776 1.00 0.00 O ATOM 415 CB PHE A 27 -1.954 -2.693 4.552 1.00 0.00 C ATOM 416 CG PHE A 27 -3.403 -3.085 4.634 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.129 -3.353 3.485 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.039 -3.184 5.862 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.462 -3.710 3.558 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.370 -3.542 5.941 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.084 -3.805 4.787 1.00 0.00 C ATOM 0 H PHE A 27 -2.237 -4.919 5.634 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.990 -4.083 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.668 -2.201 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.831 -1.962 3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.648 -3.282 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.487 -2.979 6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.017 -3.915 2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.853 -3.617 6.904 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.126 -4.084 4.847 1.00 0.00 H new ATOM 431 N ILE A 28 1.071 -2.691 3.921 1.00 0.00 N ATOM 432 CA ILE A 28 2.434 -2.267 4.208 1.00 0.00 C ATOM 433 C ILE A 28 2.576 -0.755 4.069 1.00 0.00 C ATOM 434 O ILE A 28 2.128 -0.169 3.085 1.00 0.00 O ATOM 435 CB ILE A 28 3.437 -2.952 3.262 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.068 -4.430 3.070 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.855 -2.805 3.796 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.466 -5.318 4.229 1.00 0.00 C ATOM 0 H ILE A 28 0.688 -2.316 3.053 1.00 0.00 H new ATOM 0 HA ILE A 28 2.652 -2.558 5.236 1.00 0.00 H new ATOM 0 HB ILE A 28 3.391 -2.464 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.992 -4.509 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.546 -4.798 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.552 -3.294 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.106 -1.747 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.923 -3.268 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.171 -6.346 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.546 -5.271 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.968 -4.977 5.136 1.00 0.00 H new ATOM 450 N PRO A 29 3.211 -0.105 5.058 1.00 0.00 N ATOM 451 CA PRO A 29 3.414 1.344 5.038 1.00 0.00 C ATOM 452 C PRO A 29 4.400 1.771 3.965 1.00 0.00 C ATOM 453 O PRO A 29 5.583 1.437 4.025 1.00 0.00 O ATOM 454 CB PRO A 29 3.975 1.645 6.426 1.00 0.00 C ATOM 455 CG PRO A 29 4.605 0.372 6.869 1.00 0.00 C ATOM 456 CD PRO A 29 3.783 -0.728 6.264 1.00 0.00 C ATOM 0 HA PRO A 29 2.493 1.881 4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.704 2.455 6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.187 1.955 7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.641 0.313 6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.615 0.299 7.957 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.394 -1.596 6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.005 -1.070 6.947 1.00 0.00 H new ATOM 464 N THR A 30 3.907 2.511 2.981 1.00 0.00 N ATOM 465 CA THR A 30 4.751 2.978 1.895 1.00 0.00 C ATOM 466 C THR A 30 4.140 4.199 1.215 1.00 0.00 C ATOM 467 O THR A 30 2.958 4.492 1.387 1.00 0.00 O ATOM 468 CB THR A 30 4.957 1.861 0.870 1.00 0.00 C ATOM 469 OG1 THR A 30 5.854 2.271 -0.147 1.00 0.00 O ATOM 470 CG2 THR A 30 3.670 1.424 0.202 1.00 0.00 C ATOM 0 H THR A 30 2.931 2.799 2.914 1.00 0.00 H new ATOM 0 HA THR A 30 5.716 3.264 2.314 1.00 0.00 H new ATOM 0 HB THR A 30 5.361 1.020 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.973 1.542 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.883 0.630 -0.514 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.975 1.056 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.224 2.272 -0.319 1.00 0.00 H new ATOM 478 N LEU A 31 4.953 4.904 0.435 1.00 0.00 N ATOM 479 CA LEU A 31 4.493 6.087 -0.277 1.00 0.00 C ATOM 480 C LEU A 31 4.459 5.827 -1.779 1.00 0.00 C ATOM 481 O LEU A 31 5.143 4.934 -2.278 1.00 0.00 O ATOM 482 CB LEU A 31 5.402 7.279 0.028 1.00 0.00 C ATOM 483 CG LEU A 31 5.433 7.706 1.498 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.286 8.955 1.674 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.020 7.945 2.011 1.00 0.00 C ATOM 0 H LEU A 31 5.935 4.675 0.281 1.00 0.00 H new ATOM 0 HA LEU A 31 3.483 6.319 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.417 7.033 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.079 8.128 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 31 5.880 6.902 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.296 9.243 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.304 8.750 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.869 9.767 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.059 8.248 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.548 8.732 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.440 7.027 1.921 1.00 0.00 H new ATOM 497 N TYR A 32 3.658 6.608 -2.494 1.00 0.00 N ATOM 498 CA TYR A 32 3.538 6.452 -3.938 1.00 0.00 C ATOM 499 C TYR A 32 3.536 7.804 -4.640 1.00 0.00 C ATOM 500 O TYR A 32 2.499 8.456 -4.750 1.00 0.00 O ATOM 501 CB TYR A 32 2.260 5.683 -4.284 1.00 0.00 C ATOM 502 CG TYR A 32 2.450 4.185 -4.343 1.00 0.00 C ATOM 503 CD1 TYR A 32 3.241 3.606 -5.328 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.842 3.350 -3.414 1.00 0.00 C ATOM 505 CE1 TYR A 32 3.418 2.237 -5.387 1.00 0.00 C ATOM 506 CE2 TYR A 32 2.015 1.980 -3.466 1.00 0.00 C ATOM 507 CZ TYR A 32 2.804 1.428 -4.454 1.00 0.00 C ATOM 508 OH TYR A 32 2.979 0.065 -4.508 1.00 0.00 O ATOM 0 H TYR A 32 3.084 7.353 -2.099 1.00 0.00 H new ATOM 0 HA TYR A 32 4.403 5.887 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.495 5.914 -3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.886 6.031 -5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.725 4.236 -6.059 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.224 3.778 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.034 1.802 -6.160 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.535 1.344 -2.737 1.00 0.00 H new ATOM 0 HH TYR A 32 3.859 -0.137 -4.889 1.00 0.00 H new ATOM 518 N HIS A 33 4.705 8.217 -5.118 1.00 0.00 N ATOM 519 CA HIS A 33 4.838 9.489 -5.817 1.00 0.00 C ATOM 520 C HIS A 33 4.091 9.464 -7.148 1.00 0.00 C ATOM 521 O HIS A 33 3.844 10.509 -7.750 1.00 0.00 O ATOM 522 CB HIS A 33 6.315 9.813 -6.054 1.00 0.00 C ATOM 523 CG HIS A 33 6.932 10.627 -4.960 1.00 0.00 C ATOM 524 ND1 HIS A 33 8.294 10.799 -4.825 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.365 11.321 -3.945 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.538 11.562 -3.774 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.385 11.892 -3.225 1.00 0.00 N ATOM 0 H HIS A 33 5.574 7.689 -5.034 1.00 0.00 H new ATOM 0 HA HIS A 33 4.398 10.265 -5.190 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.870 8.881 -6.160 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.414 10.352 -6.996 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.002 10.399 -5.441 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.308 11.409 -3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.514 11.864 -3.424 1.00 0.00 H new ATOM 536 N PHE A 34 3.730 8.266 -7.603 1.00 0.00 N ATOM 537 CA PHE A 34 3.009 8.111 -8.862 1.00 0.00 C ATOM 538 C PHE A 34 1.517 7.923 -8.607 1.00 0.00 C ATOM 539 O PHE A 34 1.097 7.685 -7.475 1.00 0.00 O ATOM 540 CB PHE A 34 3.556 6.922 -9.655 1.00 0.00 C ATOM 541 CG PHE A 34 5.029 6.685 -9.459 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.959 7.590 -9.941 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.479 5.557 -8.790 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.313 7.375 -9.763 1.00 0.00 C ATOM 545 CE2 PHE A 34 6.831 5.337 -8.609 1.00 0.00 C ATOM 546 CZ PHE A 34 7.749 6.246 -9.095 1.00 0.00 C ATOM 0 H PHE A 34 3.925 7.390 -7.118 1.00 0.00 H new ATOM 0 HA PHE A 34 3.154 9.019 -9.447 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.012 6.023 -9.365 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.362 7.085 -10.715 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.623 8.474 -10.462 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.765 4.843 -8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.029 8.088 -10.145 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.169 4.454 -8.087 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.806 6.075 -8.954 1.00 0.00 H new ATOM 556 N PRO A 35 0.692 8.030 -9.662 1.00 0.00 N ATOM 557 CA PRO A 35 -0.763 7.875 -9.549 1.00 0.00 C ATOM 558 C PRO A 35 -1.167 6.483 -9.075 1.00 0.00 C ATOM 559 O PRO A 35 -1.221 5.540 -9.863 1.00 0.00 O ATOM 560 CB PRO A 35 -1.268 8.117 -10.979 1.00 0.00 C ATOM 561 CG PRO A 35 -0.152 8.822 -11.674 1.00 0.00 C ATOM 562 CD PRO A 35 1.110 8.316 -11.043 1.00 0.00 C ATOM 0 HA PRO A 35 -1.183 8.561 -8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.510 7.177 -11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.176 8.720 -10.979 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.165 8.614 -12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.240 9.902 -11.559 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.484 7.424 -11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.906 9.059 -11.079 1.00 0.00 H new ATOM 570 N THR A 36 -1.463 6.364 -7.784 1.00 0.00 N ATOM 571 CA THR A 36 -1.876 5.091 -7.209 1.00 0.00 C ATOM 572 C THR A 36 -3.334 5.169 -6.760 1.00 0.00 C ATOM 573 O THR A 36 -3.761 6.168 -6.185 1.00 0.00 O ATOM 574 CB THR A 36 -0.964 4.720 -6.035 1.00 0.00 C ATOM 575 OG1 THR A 36 0.345 4.427 -6.494 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.445 3.523 -5.244 1.00 0.00 C ATOM 0 H THR A 36 -1.424 7.135 -7.117 1.00 0.00 H new ATOM 0 HA THR A 36 -1.790 4.313 -7.967 1.00 0.00 H new ATOM 0 HB THR A 36 -0.976 5.592 -5.381 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.878 4.067 -5.755 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.749 3.321 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.433 3.731 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.500 2.653 -5.898 1.00 0.00 H new ATOM 584 N ASN A 37 -4.099 4.123 -7.044 1.00 0.00 N ATOM 585 CA ASN A 37 -5.511 4.097 -6.681 1.00 0.00 C ATOM 586 C ASN A 37 -5.754 3.276 -5.417 1.00 0.00 C ATOM 587 O ASN A 37 -5.238 2.168 -5.272 1.00 0.00 O ATOM 588 CB ASN A 37 -6.342 3.529 -7.833 1.00 0.00 C ATOM 589 CG ASN A 37 -5.986 4.155 -9.168 1.00 0.00 C ATOM 590 OD1 ASN A 37 -5.571 3.465 -10.099 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.148 5.469 -9.266 1.00 0.00 N ATOM 0 H ASN A 37 -3.768 3.285 -7.522 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.817 5.124 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.191 2.451 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.400 3.693 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.926 5.947 -10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.495 6.001 -8.468 1.00 0.00 H new ATOM 598 N CYS A 38 -6.558 3.828 -4.512 1.00 0.00 N ATOM 599 CA CYS A 38 -6.891 3.150 -3.265 1.00 0.00 C ATOM 600 C CYS A 38 -7.913 2.045 -3.531 1.00 0.00 C ATOM 601 O CYS A 38 -8.754 2.168 -4.421 1.00 0.00 O ATOM 602 CB CYS A 38 -7.431 4.167 -2.244 1.00 0.00 C ATOM 603 SG CYS A 38 -8.769 3.552 -1.162 1.00 0.00 S ATOM 0 H CYS A 38 -6.991 4.745 -4.621 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.993 2.693 -2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.604 4.502 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.796 5.041 -2.784 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.681 4.469 -1.036 1.00 0.00 H new ATOM 608 N GLU A 39 -7.832 0.964 -2.763 1.00 0.00 N ATOM 609 CA GLU A 39 -8.749 -0.160 -2.927 1.00 0.00 C ATOM 610 C GLU A 39 -10.039 0.052 -2.135 1.00 0.00 C ATOM 611 O GLU A 39 -11.115 -0.365 -2.563 1.00 0.00 O ATOM 612 CB GLU A 39 -8.071 -1.461 -2.488 1.00 0.00 C ATOM 613 CG GLU A 39 -7.813 -2.427 -3.633 1.00 0.00 C ATOM 614 CD GLU A 39 -9.084 -2.820 -4.361 1.00 0.00 C ATOM 615 OE1 GLU A 39 -9.999 -3.364 -3.709 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.165 -2.581 -5.584 1.00 0.00 O ATOM 0 H GLU A 39 -7.142 0.841 -2.022 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.010 -0.228 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.124 -1.222 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.695 -1.953 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.120 -1.970 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.329 -3.323 -3.245 1.00 0.00 H new ATOM 623 N ALA A 40 -9.922 0.690 -0.975 1.00 0.00 N ATOM 624 CA ALA A 40 -11.076 0.945 -0.122 1.00 0.00 C ATOM 625 C ALA A 40 -12.105 1.835 -0.822 1.00 0.00 C ATOM 626 O ALA A 40 -13.018 1.337 -1.480 1.00 0.00 O ATOM 627 CB ALA A 40 -10.629 1.567 1.195 1.00 0.00 C ATOM 0 H ALA A 40 -9.039 1.040 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.559 -0.009 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.500 1.753 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.950 0.885 1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.117 2.509 0.997 1.00 0.00 H new ATOM 633 N CYS A 41 -11.961 3.151 -0.675 1.00 0.00 N ATOM 634 CA CYS A 41 -12.888 4.093 -1.294 1.00 0.00 C ATOM 635 C CYS A 41 -12.568 4.286 -2.774 1.00 0.00 C ATOM 636 O CYS A 41 -11.783 3.533 -3.352 1.00 0.00 O ATOM 637 CB CYS A 41 -12.852 5.439 -0.560 1.00 0.00 C ATOM 638 SG CYS A 41 -11.347 6.424 -0.859 1.00 0.00 S ATOM 0 H CYS A 41 -11.214 3.587 -0.134 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.893 3.678 -1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.720 6.025 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.945 5.257 0.511 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.419 7.539 -0.195 1.00 0.00 H new ATOM 643 N MET A 42 -13.181 5.297 -3.380 1.00 0.00 N ATOM 644 CA MET A 42 -12.963 5.586 -4.793 1.00 0.00 C ATOM 645 C MET A 42 -12.299 6.949 -4.977 1.00 0.00 C ATOM 646 O MET A 42 -12.838 7.828 -5.651 1.00 0.00 O ATOM 647 CB MET A 42 -14.291 5.541 -5.552 1.00 0.00 C ATOM 648 CG MET A 42 -15.054 4.242 -5.364 1.00 0.00 C ATOM 649 SD MET A 42 -14.850 3.107 -6.750 1.00 0.00 S ATOM 650 CE MET A 42 -13.310 2.305 -6.306 1.00 0.00 C ATOM 0 H MET A 42 -13.832 5.930 -2.915 1.00 0.00 H new ATOM 0 HA MET A 42 -12.296 4.824 -5.196 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.916 6.371 -5.223 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.098 5.689 -6.615 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.715 3.756 -4.449 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.113 4.463 -5.234 1.00 0.00 H new ATOM 0 HE1 MET A 42 -13.224 1.360 -6.842 1.00 0.00 H new ATOM 0 HE2 MET A 42 -12.473 2.951 -6.573 1.00 0.00 H new ATOM 0 HE3 MET A 42 -13.294 2.116 -5.233 1.00 0.00 H new ATOM 660 N LYS A 43 -11.125 7.116 -4.377 1.00 0.00 N ATOM 661 CA LYS A 43 -10.385 8.368 -4.479 1.00 0.00 C ATOM 662 C LYS A 43 -8.935 8.107 -4.880 1.00 0.00 C ATOM 663 O LYS A 43 -8.422 7.001 -4.706 1.00 0.00 O ATOM 664 CB LYS A 43 -10.437 9.128 -3.150 1.00 0.00 C ATOM 665 CG LYS A 43 -11.162 10.460 -3.241 1.00 0.00 C ATOM 666 CD LYS A 43 -12.597 10.351 -2.749 1.00 0.00 C ATOM 667 CE LYS A 43 -12.989 11.549 -1.898 1.00 0.00 C ATOM 668 NZ LYS A 43 -12.465 11.439 -0.509 1.00 0.00 N ATOM 0 H LYS A 43 -10.666 6.400 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.852 8.979 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.930 8.505 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.419 9.300 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.630 11.206 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.156 10.808 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.270 10.274 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.715 9.437 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.609 12.461 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.075 11.635 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.754 12.275 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.848 10.582 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.427 11.383 -0.533 1.00 0.00 H new ATOM 682 N PRO A 44 -8.253 9.128 -5.427 1.00 0.00 N ATOM 683 CA PRO A 44 -6.858 9.003 -5.858 1.00 0.00 C ATOM 684 C PRO A 44 -5.889 8.898 -4.685 1.00 0.00 C ATOM 685 O PRO A 44 -6.007 9.624 -3.698 1.00 0.00 O ATOM 686 CB PRO A 44 -6.610 10.297 -6.637 1.00 0.00 C ATOM 687 CG PRO A 44 -7.572 11.274 -6.055 1.00 0.00 C ATOM 688 CD PRO A 44 -8.790 10.480 -5.675 1.00 0.00 C ATOM 0 HA PRO A 44 -6.695 8.096 -6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.581 10.638 -6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.783 10.157 -7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.144 11.772 -5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.823 12.052 -6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.275 10.888 -4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.533 10.477 -6.473 1.00 0.00 H new ATOM 696 N LEU A 45 -4.928 7.987 -4.803 1.00 0.00 N ATOM 697 CA LEU A 45 -3.929 7.780 -3.760 1.00 0.00 C ATOM 698 C LEU A 45 -2.528 8.082 -4.290 1.00 0.00 C ATOM 699 O LEU A 45 -1.952 7.286 -5.029 1.00 0.00 O ATOM 700 CB LEU A 45 -3.999 6.340 -3.234 1.00 0.00 C ATOM 701 CG LEU A 45 -3.219 6.081 -1.941 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.166 5.906 -0.767 1.00 0.00 C ATOM 703 CD2 LEU A 45 -2.329 4.858 -2.083 1.00 0.00 C ATOM 0 H LEU A 45 -4.820 7.378 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.142 8.464 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.045 6.081 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.624 5.669 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.587 6.949 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.591 5.723 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.762 6.810 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.826 5.059 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.785 4.694 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.943 3.985 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.619 5.017 -2.895 1.00 0.00 H new ATOM 715 N TRP A 46 -1.990 9.240 -3.910 1.00 0.00 N ATOM 716 CA TRP A 46 -0.655 9.653 -4.346 1.00 0.00 C ATOM 717 C TRP A 46 -0.404 11.122 -4.020 1.00 0.00 C ATOM 718 O TRP A 46 -1.253 11.794 -3.437 1.00 0.00 O ATOM 719 CB TRP A 46 -0.475 9.426 -5.851 1.00 0.00 C ATOM 720 CG TRP A 46 -1.581 10.010 -6.677 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.760 9.409 -7.014 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.608 11.311 -7.273 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.519 10.257 -7.782 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.833 11.432 -7.956 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.716 12.386 -7.297 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.188 12.584 -8.652 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.068 13.530 -7.988 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.295 13.623 -8.657 1.00 0.00 C ATOM 0 H TRP A 46 -2.458 9.910 -3.300 1.00 0.00 H new ATOM 0 HA TRP A 46 0.068 9.042 -3.806 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.473 9.862 -6.166 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.413 8.355 -6.045 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.053 8.412 -6.719 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.442 10.047 -8.161 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.233 12.324 -6.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.133 12.656 -9.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.385 14.367 -8.013 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.542 14.531 -9.187 1.00 0.00 H new ATOM 739 N HIS A 47 0.770 11.613 -4.406 1.00 0.00 N ATOM 740 CA HIS A 47 1.141 13.003 -4.163 1.00 0.00 C ATOM 741 C HIS A 47 2.540 13.290 -4.697 1.00 0.00 C ATOM 742 O HIS A 47 3.476 12.526 -4.461 1.00 0.00 O ATOM 743 CB HIS A 47 1.076 13.321 -2.667 1.00 0.00 C ATOM 744 CG HIS A 47 0.356 14.598 -2.359 1.00 0.00 C ATOM 745 ND1 HIS A 47 0.361 15.689 -3.204 1.00 0.00 N ATOM 746 CD2 HIS A 47 -0.396 14.955 -1.290 1.00 0.00 C ATOM 747 CE1 HIS A 47 -0.356 16.660 -2.668 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.826 16.240 -1.508 1.00 0.00 N ATOM 0 H HIS A 47 1.483 11.067 -4.890 1.00 0.00 H new ATOM 0 HA HIS A 47 0.431 13.640 -4.690 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.580 12.500 -2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.090 13.380 -2.272 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.616 14.343 -0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.529 17.633 -3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.414 16.783 -0.876 1.00 0.00 H new ATOM 757 N MET A 48 2.676 14.395 -5.424 1.00 0.00 N ATOM 758 CA MET A 48 3.959 14.780 -5.996 1.00 0.00 C ATOM 759 C MET A 48 4.824 15.500 -4.967 1.00 0.00 C ATOM 760 O MET A 48 6.032 15.273 -4.890 1.00 0.00 O ATOM 761 CB MET A 48 3.747 15.679 -7.217 1.00 0.00 C ATOM 762 CG MET A 48 2.739 15.126 -8.211 1.00 0.00 C ATOM 763 SD MET A 48 3.523 14.301 -9.610 1.00 0.00 S ATOM 764 CE MET A 48 4.409 12.987 -8.775 1.00 0.00 C ATOM 0 H MET A 48 1.912 15.039 -5.630 1.00 0.00 H new ATOM 0 HA MET A 48 4.476 13.871 -6.305 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.413 16.661 -6.881 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.702 15.823 -7.722 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.081 14.422 -7.702 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.113 15.939 -8.578 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.473 12.118 -9.430 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.414 13.328 -8.524 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.880 12.714 -7.862 1.00 0.00 H new ATOM 774 N PHE A 49 4.200 16.371 -4.180 1.00 0.00 N ATOM 775 CA PHE A 49 4.916 17.125 -3.158 1.00 0.00 C ATOM 776 C PHE A 49 5.110 16.292 -1.895 1.00 0.00 C ATOM 777 O PHE A 49 6.210 15.816 -1.616 1.00 0.00 O ATOM 778 CB PHE A 49 4.161 18.412 -2.821 1.00 0.00 C ATOM 779 CG PHE A 49 4.280 19.471 -3.878 1.00 0.00 C ATOM 780 CD1 PHE A 49 3.712 19.286 -5.129 1.00 0.00 C ATOM 781 CD2 PHE A 49 4.961 20.651 -3.622 1.00 0.00 C ATOM 782 CE1 PHE A 49 3.821 20.259 -6.105 1.00 0.00 C ATOM 783 CE2 PHE A 49 5.072 21.628 -4.595 1.00 0.00 C ATOM 784 CZ PHE A 49 4.501 21.431 -5.838 1.00 0.00 C ATOM 0 H PHE A 49 3.201 16.572 -4.231 1.00 0.00 H new ATOM 0 HA PHE A 49 5.898 17.379 -3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.107 18.177 -2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.537 18.808 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.179 18.372 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.410 20.809 -2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.375 20.103 -7.076 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.604 22.544 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.586 22.192 -6.599 1.00 0.00 H new ATOM 794 N LYS A 50 4.035 16.124 -1.132 1.00 0.00 N ATOM 795 CA LYS A 50 4.087 15.354 0.105 1.00 0.00 C ATOM 796 C LYS A 50 3.228 14.095 0.007 1.00 0.00 C ATOM 797 O LYS A 50 2.022 14.139 0.253 1.00 0.00 O ATOM 798 CB LYS A 50 3.620 16.213 1.282 1.00 0.00 C ATOM 799 CG LYS A 50 4.613 17.292 1.679 1.00 0.00 C ATOM 800 CD LYS A 50 5.619 16.777 2.697 1.00 0.00 C ATOM 801 CE LYS A 50 6.103 17.888 3.614 1.00 0.00 C ATOM 802 NZ LYS A 50 6.292 17.410 5.011 1.00 0.00 N ATOM 0 H LYS A 50 3.117 16.511 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 50 5.121 15.050 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.670 16.682 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.434 15.568 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.140 17.647 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.078 18.145 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.163 15.986 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.470 16.336 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.044 18.287 3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.383 18.707 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.623 18.197 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.388 17.053 5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.998 16.646 5.024 1.00 0.00 H new ATOM 816 N PRO A 51 3.836 12.950 -0.352 1.00 0.00 N ATOM 817 CA PRO A 51 3.114 11.680 -0.476 1.00 0.00 C ATOM 818 C PRO A 51 2.594 11.180 0.870 1.00 0.00 C ATOM 819 O PRO A 51 3.368 10.983 1.806 1.00 0.00 O ATOM 820 CB PRO A 51 4.167 10.717 -1.034 1.00 0.00 C ATOM 821 CG PRO A 51 5.476 11.315 -0.650 1.00 0.00 C ATOM 822 CD PRO A 51 5.272 12.803 -0.661 1.00 0.00 C ATOM 0 HA PRO A 51 2.232 11.774 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.051 9.718 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.079 10.620 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.787 10.971 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.258 11.023 -1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.896 13.300 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.522 13.236 -1.629 1.00 0.00 H new ATOM 830 N PRO A 52 1.272 10.965 0.982 1.00 0.00 N ATOM 831 CA PRO A 52 0.655 10.483 2.222 1.00 0.00 C ATOM 832 C PRO A 52 1.002 9.026 2.509 1.00 0.00 C ATOM 833 O PRO A 52 1.232 8.242 1.589 1.00 0.00 O ATOM 834 CB PRO A 52 -0.844 10.626 1.946 1.00 0.00 C ATOM 835 CG PRO A 52 -0.959 10.516 0.466 1.00 0.00 C ATOM 836 CD PRO A 52 0.275 11.170 -0.087 1.00 0.00 C ATOM 0 HA PRO A 52 1.000 11.038 3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.417 9.846 2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.225 11.582 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.023 9.473 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.860 11.012 0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.589 10.710 -1.024 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.113 12.229 -0.290 1.00 0.00 H new ATOM 844 N PRO A 53 1.037 8.637 3.796 1.00 0.00 N ATOM 845 CA PRO A 53 1.350 7.263 4.192 1.00 0.00 C ATOM 846 C PRO A 53 0.341 6.269 3.631 1.00 0.00 C ATOM 847 O PRO A 53 -0.693 6.010 4.241 1.00 0.00 O ATOM 848 CB PRO A 53 1.279 7.295 5.723 1.00 0.00 C ATOM 849 CG PRO A 53 0.478 8.508 6.050 1.00 0.00 C ATOM 850 CD PRO A 53 0.766 9.498 4.959 1.00 0.00 C ATOM 0 HA PRO A 53 2.320 6.940 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.807 6.394 6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.275 7.350 6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.586 8.274 6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.756 8.909 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.081 10.161 4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.621 10.130 5.202 1.00 0.00 H new ATOM 858 N ALA A 54 0.647 5.719 2.461 1.00 0.00 N ATOM 859 CA ALA A 54 -0.238 4.758 1.813 1.00 0.00 C ATOM 860 C ALA A 54 0.102 3.334 2.229 1.00 0.00 C ATOM 861 O ALA A 54 1.270 2.992 2.415 1.00 0.00 O ATOM 862 CB ALA A 54 -0.152 4.902 0.301 1.00 0.00 C ATOM 0 H ALA A 54 1.501 5.922 1.942 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.259 4.968 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.817 4.179 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.449 5.911 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.872 4.719 -0.024 1.00 0.00 H new ATOM 868 N LEU A 55 -0.925 2.504 2.379 1.00 0.00 N ATOM 869 CA LEU A 55 -0.729 1.117 2.780 1.00 0.00 C ATOM 870 C LEU A 55 -0.933 0.171 1.602 1.00 0.00 C ATOM 871 O LEU A 55 -2.044 0.024 1.097 1.00 0.00 O ATOM 872 CB LEU A 55 -1.679 0.753 3.923 1.00 0.00 C ATOM 873 CG LEU A 55 -1.683 1.734 5.096 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.613 1.244 6.196 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.272 1.923 5.634 1.00 0.00 C ATOM 0 H LEU A 55 -1.899 2.768 2.229 1.00 0.00 H new ATOM 0 HA LEU A 55 0.298 1.009 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.691 0.681 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.412 -0.236 4.296 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.049 2.697 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.604 1.954 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.626 1.157 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.276 0.270 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.292 2.624 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.119 0.964 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.369 2.316 4.845 1.00 0.00 H new ATOM 887 N GLU A 56 0.153 -0.465 1.174 1.00 0.00 N ATOM 888 CA GLU A 56 0.107 -1.396 0.054 1.00 0.00 C ATOM 889 C GLU A 56 0.013 -2.836 0.541 1.00 0.00 C ATOM 890 O GLU A 56 0.669 -3.216 1.508 1.00 0.00 O ATOM 891 CB GLU A 56 1.348 -1.228 -0.823 1.00 0.00 C ATOM 892 CG GLU A 56 1.256 -1.955 -2.154 1.00 0.00 C ATOM 893 CD GLU A 56 2.589 -2.523 -2.600 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.634 -2.021 -2.135 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.589 -3.468 -3.416 1.00 0.00 O ATOM 0 H GLU A 56 1.078 -0.351 1.588 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.784 -1.172 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.510 -0.166 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.219 -1.593 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.529 -2.763 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.885 -1.268 -2.914 1.00 0.00 H new ATOM 902 N CYS A 57 -0.800 -3.640 -0.138 1.00 0.00 N ATOM 903 CA CYS A 57 -0.962 -5.037 0.233 1.00 0.00 C ATOM 904 C CYS A 57 0.189 -5.874 -0.310 1.00 0.00 C ATOM 905 O CYS A 57 0.578 -5.736 -1.470 1.00 0.00 O ATOM 906 CB CYS A 57 -2.294 -5.580 -0.286 1.00 0.00 C ATOM 907 SG CYS A 57 -2.563 -7.348 0.069 1.00 0.00 S ATOM 0 H CYS A 57 -1.353 -3.348 -0.944 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.957 -5.101 1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.107 -5.003 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.343 -5.425 -1.364 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.544 -7.540 1.355 1.00 0.00 H new ATOM 912 N ARG A 58 0.728 -6.745 0.535 1.00 0.00 N ATOM 913 CA ARG A 58 1.834 -7.608 0.139 1.00 0.00 C ATOM 914 C ARG A 58 1.321 -8.964 -0.341 1.00 0.00 C ATOM 915 O ARG A 58 1.995 -9.983 -0.188 1.00 0.00 O ATOM 916 CB ARG A 58 2.805 -7.794 1.307 1.00 0.00 C ATOM 917 CG ARG A 58 2.179 -8.471 2.515 1.00 0.00 C ATOM 918 CD ARG A 58 3.156 -8.556 3.677 1.00 0.00 C ATOM 919 NE ARG A 58 3.674 -9.910 3.862 1.00 0.00 N ATOM 920 CZ ARG A 58 4.751 -10.389 3.240 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.433 -9.629 2.390 1.00 0.00 N ATOM 922 NH2 ARG A 58 5.146 -11.633 3.467 1.00 0.00 N ATOM 0 H ARG A 58 0.417 -6.872 1.498 1.00 0.00 H new ATOM 0 HA ARG A 58 2.361 -7.130 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.657 -8.385 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.191 -6.820 1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.292 -7.918 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.850 -9.473 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.986 -7.871 3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.660 -8.230 4.591 1.00 0.00 H new ATOM 0 HE ARG A 58 3.181 -10.527 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.133 -8.671 2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.256 -10.004 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.626 -12.223 4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.970 -12.001 2.992 1.00 0.00 H new ATOM 936 N ARG A 59 0.124 -8.966 -0.923 1.00 0.00 N ATOM 937 CA ARG A 59 -0.484 -10.191 -1.428 1.00 0.00 C ATOM 938 C ARG A 59 -1.100 -9.967 -2.810 1.00 0.00 C ATOM 939 O ARG A 59 -0.555 -10.411 -3.819 1.00 0.00 O ATOM 940 CB ARG A 59 -1.549 -10.699 -0.452 1.00 0.00 C ATOM 941 CG ARG A 59 -1.020 -10.952 0.951 1.00 0.00 C ATOM 942 CD ARG A 59 -1.998 -10.480 2.015 1.00 0.00 C ATOM 943 NE ARG A 59 -2.620 -11.598 2.720 1.00 0.00 N ATOM 944 CZ ARG A 59 -2.024 -12.288 3.689 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.789 -11.981 4.068 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.662 -13.289 4.279 1.00 0.00 N ATOM 0 H ARG A 59 -0.444 -8.129 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 59 0.299 -10.944 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.359 -9.971 -0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.976 -11.623 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.827 -12.017 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.067 -10.438 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.476 -9.845 2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.772 -9.868 1.551 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.568 -11.866 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.293 -11.213 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.337 -12.513 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.610 -13.530 3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.205 -13.818 5.022 1.00 0.00 H new ATOM 960 N CYS A 60 -2.240 -9.275 -2.848 1.00 0.00 N ATOM 961 CA CYS A 60 -2.922 -8.996 -4.110 1.00 0.00 C ATOM 962 C CYS A 60 -2.366 -7.740 -4.782 1.00 0.00 C ATOM 963 O CYS A 60 -2.724 -7.428 -5.918 1.00 0.00 O ATOM 964 CB CYS A 60 -4.431 -8.845 -3.887 1.00 0.00 C ATOM 965 SG CYS A 60 -4.907 -7.389 -2.902 1.00 0.00 S ATOM 0 H CYS A 60 -2.708 -8.900 -2.023 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.743 -9.843 -4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.925 -8.789 -4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.804 -9.741 -3.391 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.143 -7.305 -1.854 1.00 0.00 H new ATOM 970 N HIS A 61 -1.489 -7.022 -4.080 1.00 0.00 N ATOM 971 CA HIS A 61 -0.885 -5.804 -4.616 1.00 0.00 C ATOM 972 C HIS A 61 -1.917 -4.692 -4.762 1.00 0.00 C ATOM 973 O HIS A 61 -2.436 -4.445 -5.851 1.00 0.00 O ATOM 974 CB HIS A 61 -0.215 -6.080 -5.965 1.00 0.00 C ATOM 975 CG HIS A 61 0.856 -7.122 -5.899 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.213 -7.907 -6.975 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.654 -7.509 -4.874 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.182 -8.730 -6.617 1.00 0.00 C ATOM 979 NE2 HIS A 61 2.468 -8.508 -5.347 1.00 0.00 N ATOM 0 H HIS A 61 -1.181 -7.264 -3.138 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.126 -5.474 -3.907 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.974 -6.396 -6.681 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.214 -5.153 -6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.650 -7.106 -3.872 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.659 -9.460 -7.254 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.179 -8.999 -4.805 1.00 0.00 H new ATOM 988 N ILE A 62 -2.195 -4.018 -3.654 1.00 0.00 N ATOM 989 CA ILE A 62 -3.150 -2.917 -3.636 1.00 0.00 C ATOM 990 C ILE A 62 -2.611 -1.777 -2.784 1.00 0.00 C ATOM 991 O ILE A 62 -1.480 -1.840 -2.309 1.00 0.00 O ATOM 992 CB ILE A 62 -4.518 -3.365 -3.084 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.372 -3.907 -1.660 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.139 -4.415 -3.993 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.495 -3.491 -0.736 1.00 0.00 C ATOM 0 H ILE A 62 -1.769 -4.216 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.288 -2.580 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.179 -2.498 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.328 -4.995 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.425 -3.563 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.104 -4.721 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.279 -3.997 -4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.480 -5.281 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.325 -3.911 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.527 -2.404 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.444 -3.858 -1.128 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.418 -0.740 -2.585 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.998 0.401 -1.776 1.00 0.00 C ATOM 1009 C LYS A 63 -4.188 1.048 -1.085 1.00 0.00 C ATOM 1010 O LYS A 63 -5.297 1.059 -1.617 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.280 1.447 -2.625 1.00 0.00 C ATOM 1012 CG LYS A 63 -1.153 0.891 -3.475 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.667 0.316 -4.787 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.736 -0.758 -5.327 1.00 0.00 C ATOM 1015 NZ LYS A 63 -1.433 -1.680 -6.266 1.00 0.00 N ATOM 0 H LYS A 63 -4.360 -0.665 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.308 0.022 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.007 1.931 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.878 2.218 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.430 1.680 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.627 0.115 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.661 -0.105 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.767 1.115 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.103 -0.287 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.323 -1.331 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.215 -2.665 -6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.460 -1.526 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.111 -1.495 -7.237 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.942 1.592 0.099 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.984 2.255 0.873 1.00 0.00 C ATOM 1031 C CYS A 64 -4.369 3.226 1.873 1.00 0.00 C ATOM 1032 O CYS A 64 -3.572 2.827 2.723 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.828 1.222 1.624 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.875 0.193 0.572 1.00 0.00 S ATOM 0 H CYS A 64 -3.025 1.587 0.547 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.621 2.807 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.162 0.575 2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.460 1.743 2.343 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.345 0.103 -0.612 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.738 4.503 1.772 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.211 5.525 2.682 1.00 0.00 C ATOM 1042 C HIS A 65 -4.174 5.013 4.110 1.00 0.00 C ATOM 1043 O HIS A 65 -5.155 4.458 4.608 1.00 0.00 O ATOM 1044 CB HIS A 65 -5.035 6.829 2.666 1.00 0.00 C ATOM 1045 CG HIS A 65 -6.108 6.891 1.625 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -6.235 7.878 0.667 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -7.148 6.064 1.444 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -7.346 7.612 -0.044 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.933 6.514 0.397 1.00 0.00 N ATOM 0 H HIS A 65 -5.395 4.855 1.075 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.205 5.744 2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.493 6.963 3.646 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.355 7.668 2.515 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.602 8.665 0.525 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.344 5.178 2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.708 8.214 -0.864 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.056 5.237 4.776 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.913 4.834 6.164 1.00 0.00 C ATOM 1059 C LYS A 66 -4.099 5.363 6.963 1.00 0.00 C ATOM 1060 O LYS A 66 -4.527 4.759 7.945 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.597 5.361 6.743 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.425 5.076 8.229 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.233 4.168 8.495 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.616 2.983 9.366 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.580 2.239 9.848 1.00 0.00 N ATOM 0 H LYS A 66 -2.235 5.695 4.380 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.894 3.746 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.766 4.914 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.544 6.437 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.294 6.015 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.331 4.610 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.170 3.809 7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.558 4.738 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.195 3.333 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.259 2.309 8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.276 1.439 10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.119 1.883 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.181 2.875 10.410 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.623 6.507 6.518 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.762 7.143 7.169 1.00 0.00 C ATOM 1081 C ASP A 67 -6.916 6.162 7.379 1.00 0.00 C ATOM 1082 O ASP A 67 -7.494 6.109 8.465 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.241 8.337 6.343 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.236 9.472 6.329 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.966 10.038 7.409 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -4.719 9.794 5.239 1.00 0.00 O ATOM 0 H ASP A 67 -4.272 7.012 5.704 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.431 7.486 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.434 8.014 5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.187 8.698 6.747 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.261 5.393 6.343 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.370 4.432 6.462 1.00 0.00 C ATOM 1093 C HIS A 68 -8.202 3.543 7.691 1.00 0.00 C ATOM 1094 O HIS A 68 -9.122 3.403 8.497 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.494 3.553 5.214 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.140 4.246 4.057 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.129 5.199 4.180 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.861 4.166 2.737 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.407 5.663 2.953 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.662 5.068 2.043 1.00 0.00 N ATOM 0 H HIS A 68 -6.804 5.412 5.431 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.282 5.019 6.567 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.501 3.216 4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.072 2.663 5.462 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.132 3.506 2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.144 6.423 2.739 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.671 5.234 1.037 1.00 0.00 H new ATOM 1108 N MET A 69 -7.028 2.939 7.826 1.00 0.00 N ATOM 1109 CA MET A 69 -6.747 2.058 8.956 1.00 0.00 C ATOM 1110 C MET A 69 -6.815 2.823 10.275 1.00 0.00 C ATOM 1111 O MET A 69 -7.430 2.364 11.237 1.00 0.00 O ATOM 1112 CB MET A 69 -5.369 1.413 8.797 1.00 0.00 C ATOM 1113 CG MET A 69 -5.037 0.413 9.893 1.00 0.00 C ATOM 1114 SD MET A 69 -6.274 -0.890 10.044 1.00 0.00 S ATOM 1115 CE MET A 69 -6.135 -1.674 8.440 1.00 0.00 C ATOM 0 H MET A 69 -6.255 3.042 7.169 1.00 0.00 H new ATOM 0 HA MET A 69 -7.507 1.276 8.972 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.321 0.910 7.831 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.610 2.195 8.787 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.065 -0.036 9.687 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.950 0.938 10.844 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.088 -1.602 7.916 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.361 -1.175 7.857 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.871 -2.724 8.570 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.179 3.988 10.312 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.166 4.815 11.514 1.00 0.00 C ATOM 1127 C ASP A 70 -7.581 5.233 11.906 1.00 0.00 C ATOM 1128 O ASP A 70 -7.873 5.442 13.083 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.296 6.054 11.295 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.436 6.378 12.500 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.776 5.920 13.612 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.424 7.089 12.333 1.00 0.00 O ATOM 0 H ASP A 70 -5.665 4.382 9.524 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.746 4.223 12.327 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.656 5.896 10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.935 6.908 11.068 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.454 5.359 10.911 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.837 5.757 11.152 1.00 0.00 C ATOM 1139 C LYS A 71 -10.749 4.541 11.289 1.00 0.00 C ATOM 1140 O LYS A 71 -11.848 4.639 11.834 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.334 6.654 10.018 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.420 7.834 9.727 1.00 0.00 C ATOM 1143 CD LYS A 71 -9.901 9.096 10.423 1.00 0.00 C ATOM 1144 CE LYS A 71 -8.747 10.036 10.731 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.220 11.419 11.020 1.00 0.00 N ATOM 0 H LYS A 71 -8.228 5.191 9.931 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.866 6.311 12.090 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.440 6.056 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.326 7.028 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.407 7.600 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.376 8.005 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.629 9.606 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.412 8.830 11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.188 9.657 11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.060 10.057 9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.403 12.029 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.731 11.791 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.856 11.404 11.843 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.291 3.395 10.790 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.074 2.166 10.857 1.00 0.00 C ATOM 1161 C LYS A 72 -12.359 2.300 10.045 1.00 0.00 C ATOM 1162 O LYS A 72 -13.446 2.450 10.602 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.405 1.823 12.311 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.486 0.770 12.912 1.00 0.00 C ATOM 1165 CD LYS A 72 -10.603 -0.556 12.178 1.00 0.00 C ATOM 1166 CE LYS A 72 -10.349 -1.731 13.108 1.00 0.00 C ATOM 1167 NZ LYS A 72 -8.905 -1.874 13.438 1.00 0.00 N ATOM 0 H LYS A 72 -9.383 3.293 10.336 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.478 1.359 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.346 2.730 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.435 1.470 12.367 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.454 1.120 12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.733 0.628 13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.598 -0.645 11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.890 -0.581 11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.920 -1.597 14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.707 -2.648 12.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.773 -2.686 14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.363 -2.027 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.569 -1.009 13.907 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.225 2.246 8.724 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.373 2.364 7.833 1.00 0.00 C ATOM 1183 C GLU A 73 -13.806 0.996 7.314 1.00 0.00 C ATOM 1184 O GLU A 73 -12.996 0.238 6.779 1.00 0.00 O ATOM 1185 CB GLU A 73 -13.039 3.284 6.658 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.661 4.695 7.078 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.207 5.752 6.136 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.429 6.006 6.174 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.412 6.323 5.361 1.00 0.00 O ATOM 0 H GLU A 73 -11.332 2.121 8.247 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.198 2.793 8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.216 2.850 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.898 3.331 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.035 4.883 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.575 4.778 7.121 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.090 0.689 7.473 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.634 -0.587 7.019 1.00 0.00 C ATOM 1198 C GLU A 74 -15.403 -0.781 5.521 1.00 0.00 C ATOM 1199 O GLU A 74 -15.405 -1.906 5.023 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.132 -0.661 7.329 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.975 0.299 6.505 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.272 0.676 7.195 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.357 0.510 8.430 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.203 1.136 6.501 1.00 0.00 O ATOM 0 H GLU A 74 -15.773 1.306 7.913 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.116 -1.384 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.480 -1.679 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.286 -0.449 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.399 1.202 6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.200 -0.157 5.541 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.209 0.326 4.812 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.980 0.290 3.371 1.00 0.00 C ATOM 1213 C ILE A 75 -13.912 -0.737 2.997 1.00 0.00 C ATOM 1214 O ILE A 75 -13.991 -1.373 1.945 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.561 1.676 2.845 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.219 2.093 3.452 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.640 2.702 3.166 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.808 3.510 3.110 1.00 0.00 C ATOM 0 H ILE A 75 -15.206 1.264 5.214 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.922 -0.002 2.907 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.443 1.623 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.274 1.992 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.446 1.407 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.336 3.679 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.576 2.406 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.781 2.756 4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.848 3.733 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.719 3.612 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.561 4.206 3.480 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.917 -0.895 3.865 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.838 -1.846 3.623 1.00 0.00 C ATOM 1232 C ILE A 76 -12.361 -3.279 3.632 1.00 0.00 C ATOM 1233 O ILE A 76 -13.154 -3.654 4.495 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.724 -1.719 4.681 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.247 -0.269 4.787 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.560 -2.640 4.342 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.157 -0.066 5.817 1.00 0.00 C ATOM 0 H ILE A 76 -12.836 -0.378 4.740 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.426 -1.612 2.641 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.131 -2.018 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.881 0.057 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.096 0.367 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.783 -2.538 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.908 -3.673 4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.155 -2.370 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.867 0.985 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.525 -0.361 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.292 -0.676 5.556 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.908 -4.078 2.671 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.328 -5.470 2.580 1.00 0.00 C ATOM 1251 C ALA A 77 -11.143 -6.414 2.717 1.00 0.00 C ATOM 1252 O ALA A 77 -9.988 -6.003 2.599 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.047 -5.735 1.267 1.00 0.00 C ATOM 0 H ALA A 77 -11.252 -3.786 1.947 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.017 -5.656 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.351 -6.781 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.929 -5.098 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.378 -5.516 0.435 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.419 -7.701 2.965 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.378 -8.716 3.116 1.00 0.00 C ATOM 1261 C PRO A 78 -9.654 -9.008 1.806 1.00 0.00 C ATOM 1262 O PRO A 78 -10.187 -8.764 0.723 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.148 -9.954 3.576 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.543 -9.745 3.102 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.774 -8.263 3.118 1.00 0.00 C ATOM 0 HA PRO A 78 -9.601 -8.394 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.721 -10.863 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.112 -10.059 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.678 -10.149 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.255 -10.257 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.432 -7.951 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.240 -7.940 4.049 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.437 -9.537 1.911 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.649 -9.869 0.729 1.00 0.00 C ATOM 1275 C CYS A 79 -8.358 -10.934 -0.105 1.00 0.00 C ATOM 1276 O CYS A 79 -9.044 -11.802 0.437 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.253 -10.354 1.131 1.00 0.00 C ATOM 1278 SG CYS A 79 -5.010 -10.208 -0.200 1.00 0.00 S ATOM 0 H CYS A 79 -7.978 -9.744 2.798 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.543 -8.968 0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.915 -9.782 1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.317 -11.396 1.443 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.287 -9.145 -0.004 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.201 -10.857 -1.423 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.842 -11.811 -2.324 1.00 0.00 C ATOM 1285 C LYS A 80 -7.902 -12.953 -2.704 1.00 0.00 C ATOM 1286 O LYS A 80 -8.319 -14.109 -2.779 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.338 -11.102 -3.586 1.00 0.00 C ATOM 1288 CG LYS A 80 -8.339 -10.119 -4.173 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.638 -9.825 -5.633 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.138 -10.939 -6.539 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.229 -10.568 -7.978 1.00 0.00 N ATOM 0 H LYS A 80 -7.638 -10.147 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.692 -12.240 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.582 -11.851 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.261 -10.571 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.362 -9.191 -3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.331 -10.525 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.712 -9.700 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.169 -8.884 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.103 -11.173 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.721 -11.842 -6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.879 -11.354 -8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.220 -10.369 -8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.652 -9.721 -8.155 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.636 -12.627 -2.949 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.653 -13.638 -3.328 1.00 0.00 C ATOM 1307 C VAL A 81 -5.456 -14.670 -2.220 1.00 0.00 C ATOM 1308 O VAL A 81 -5.001 -15.785 -2.473 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.293 -13.006 -3.679 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.434 -12.061 -4.862 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.706 -12.281 -2.478 1.00 0.00 C ATOM 0 H VAL A 81 -6.268 -11.677 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.049 -14.137 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.607 -13.806 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.463 -11.624 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.801 -12.613 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.139 -11.268 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.746 -11.843 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.388 -11.492 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.563 -12.988 -1.660 1.00 0.00 H new