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 25 HIS : no HD1:sc= -5.81! K(o=-11!,f=-12) USER MOD Set 1.2: A 57 CYS SG : rot 68:sc= -1.08 USER MOD Set 1.3: A 60 CYS SG : rot -42:sc= -1.66 USER MOD Set 1.4: A 79 CYS SG : rot 97:sc= -2.23 USER MOD Set 2.1: A 22 HIS : no HD1:sc= -0.586 X(o=-4.9,f=-5.3) USER MOD Set 2.2: A 69 MET CE :methyl -138:sc= -4.35! (180deg=-3.59!) USER MOD Set 2.3: A 72 LYS NZ :NH3+ -127:sc= 0 (180deg=0) USER MOD Set 3.1: A 38 CYS SG : rot -139:sc= -0.904 USER MOD Set 3.2: A 41 CYS SG : rot 180:sc= -0.803 USER MOD Set 3.3: A 65 HIS : no HE2:sc= -10.4! K(o=-25!,f=-17) USER MOD Set 3.4: A 68 HIS : no HD1:sc= -12.8! C(o=-25!,f=-22!) USER MOD Single : A 18 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -14:sc= 0.0561 USER MOD Single : A 23 LYS NZ :NH3+ -127:sc= 0.373 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0818 USER MOD Single : A 32 TYR OH : rot 130:sc= -0.0623 USER MOD Single : A 33 HIS : no HD1:sc= -2.24 X(o=-2.2,f=-2.7!) USER MOD Single : A 36 THR OG1 : rot 176:sc= 1.58 USER MOD Single : A 37 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-0.75) USER MOD Single : A 48 MET CE :methyl 164:sc= -0.0138 (180deg=-0.283) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc=-0.00572 X(o=-0.0057,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot -0:sc= -1.52 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 80 LYS NZ :NH3+ -115:sc= 0 (180deg=-1.99!) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.315 -2.836 8.110 1.00 0.00 N ATOM 268 CA ASN A 18 6.266 -3.409 8.946 1.00 0.00 C ATOM 269 C ASN A 18 5.087 -3.872 8.096 1.00 0.00 C ATOM 270 O ASN A 18 5.058 -3.650 6.886 1.00 0.00 O ATOM 271 CB ASN A 18 5.798 -2.387 9.985 1.00 0.00 C ATOM 272 CG ASN A 18 6.266 -2.729 11.385 1.00 0.00 C ATOM 273 OD1 ASN A 18 6.808 -1.881 12.094 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.060 -3.977 11.789 1.00 0.00 N ATOM 0 HA ASN A 18 6.678 -4.276 9.463 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.170 -1.399 9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.709 -2.333 9.972 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.355 -4.266 12.721 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.607 -4.646 11.167 1.00 0.00 H new ATOM 281 N TYR A 19 4.117 -4.518 8.735 1.00 0.00 N ATOM 282 CA TYR A 19 2.938 -5.011 8.030 1.00 0.00 C ATOM 283 C TYR A 19 1.680 -4.832 8.871 1.00 0.00 C ATOM 284 O TYR A 19 1.553 -5.409 9.952 1.00 0.00 O ATOM 285 CB TYR A 19 3.099 -6.491 7.654 1.00 0.00 C ATOM 286 CG TYR A 19 4.530 -6.986 7.666 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.234 -7.109 8.857 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.175 -7.333 6.484 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.539 -7.561 8.872 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.480 -7.787 6.491 1.00 0.00 C ATOM 291 CZ TYR A 19 7.158 -7.900 7.687 1.00 0.00 C ATOM 292 OH TYR A 19 8.458 -8.351 7.697 1.00 0.00 O ATOM 0 H TYR A 19 4.123 -4.712 9.736 1.00 0.00 H new ATOM 0 HA TYR A 19 2.837 -4.424 7.117 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.512 -7.095 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.681 -6.649 6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.753 -6.847 9.787 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.648 -7.246 5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.072 -7.649 9.807 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.967 -8.052 5.564 1.00 0.00 H new ATOM 0 HH TYR A 19 8.743 -8.547 6.780 1.00 0.00 H new ATOM 302 N ILE A 20 0.747 -4.037 8.361 1.00 0.00 N ATOM 303 CA ILE A 20 -0.509 -3.786 9.051 1.00 0.00 C ATOM 304 C ILE A 20 -1.440 -4.987 8.919 1.00 0.00 C ATOM 305 O ILE A 20 -1.943 -5.283 7.833 1.00 0.00 O ATOM 306 CB ILE A 20 -1.208 -2.528 8.489 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.374 -1.281 8.792 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.613 -2.380 9.058 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.737 -1.040 7.796 1.00 0.00 C ATOM 0 H ILE A 20 0.839 -3.554 7.467 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.282 -3.620 10.104 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.295 -2.641 7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.030 -0.411 8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.057 -1.376 9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.081 -1.486 8.645 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.207 -3.255 8.794 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.559 -2.292 10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.286 -0.140 8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.416 -1.893 7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.312 -0.913 6.800 1.00 0.00 H new ATOM 321 N CYS A 21 -1.664 -5.678 10.033 1.00 0.00 N ATOM 322 CA CYS A 21 -2.533 -6.848 10.048 1.00 0.00 C ATOM 323 C CYS A 21 -3.999 -6.437 10.078 1.00 0.00 C ATOM 324 O CYS A 21 -4.380 -5.503 10.787 1.00 0.00 O ATOM 325 CB CYS A 21 -2.214 -7.730 11.255 1.00 0.00 C ATOM 326 SG CYS A 21 -0.976 -9.009 10.930 1.00 0.00 S ATOM 0 H CYS A 21 -1.254 -5.446 10.938 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.353 -7.415 9.134 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.862 -7.098 12.070 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.133 -8.207 11.596 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.811 -9.137 9.647 1.00 0.00 H new ATOM 332 N HIS A 22 -4.819 -7.140 9.308 1.00 0.00 N ATOM 333 CA HIS A 22 -6.246 -6.853 9.244 1.00 0.00 C ATOM 334 C HIS A 22 -7.018 -8.078 8.757 1.00 0.00 C ATOM 335 O HIS A 22 -6.443 -9.152 8.583 1.00 0.00 O ATOM 336 CB HIS A 22 -6.508 -5.660 8.321 1.00 0.00 C ATOM 337 CG HIS A 22 -7.653 -4.799 8.761 1.00 0.00 C ATOM 338 ND1 HIS A 22 -7.779 -4.313 10.045 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.726 -4.337 8.076 1.00 0.00 C ATOM 340 CE1 HIS A 22 -8.883 -3.590 10.132 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.475 -3.588 8.953 1.00 0.00 N ATOM 0 H HIS A 22 -4.519 -7.916 8.717 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.592 -6.602 10.247 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.606 -5.050 8.265 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.707 -6.027 7.314 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.951 -4.522 7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.240 -3.086 11.018 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.347 -3.109 8.728 1.00 0.00 H new ATOM 350 N LYS A 23 -8.320 -7.910 8.540 1.00 0.00 N ATOM 351 CA LYS A 23 -9.171 -9.003 8.074 1.00 0.00 C ATOM 352 C LYS A 23 -8.572 -9.682 6.848 1.00 0.00 C ATOM 353 O LYS A 23 -8.819 -9.269 5.717 1.00 0.00 O ATOM 354 CB LYS A 23 -10.564 -8.474 7.732 1.00 0.00 C ATOM 355 CG LYS A 23 -10.536 -7.175 6.946 1.00 0.00 C ATOM 356 CD LYS A 23 -11.706 -7.079 5.980 1.00 0.00 C ATOM 357 CE LYS A 23 -13.039 -7.140 6.707 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.960 -6.053 6.272 1.00 0.00 N ATOM 0 H LYS A 23 -8.810 -7.026 8.679 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.244 -9.737 8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.100 -9.228 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.124 -8.320 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.563 -6.331 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.600 -7.104 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.639 -6.147 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.648 -7.892 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.508 -8.107 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.870 -7.065 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.301 -5.533 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.453 -5.401 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.770 -6.466 5.766 1.00 0.00 H new ATOM 372 N GLY A 24 -7.781 -10.723 7.077 1.00 0.00 N ATOM 373 CA GLY A 24 -7.161 -11.437 5.976 1.00 0.00 C ATOM 374 C GLY A 24 -6.269 -10.550 5.130 1.00 0.00 C ATOM 375 O GLY A 24 -5.882 -10.932 4.027 1.00 0.00 O ATOM 0 H GLY A 24 -7.558 -11.086 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.573 -12.265 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.938 -11.870 5.346 1.00 0.00 H new ATOM 379 N HIS A 25 -5.943 -9.363 5.638 1.00 0.00 N ATOM 380 CA HIS A 25 -5.099 -8.435 4.899 1.00 0.00 C ATOM 381 C HIS A 25 -3.874 -8.005 5.700 1.00 0.00 C ATOM 382 O HIS A 25 -3.957 -7.731 6.897 1.00 0.00 O ATOM 383 CB HIS A 25 -5.906 -7.203 4.469 1.00 0.00 C ATOM 384 CG HIS A 25 -5.986 -7.067 2.985 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.893 -6.277 2.310 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.248 -7.682 2.040 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.674 -6.446 0.993 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.682 -7.292 0.791 1.00 0.00 N ATOM 0 H HIS A 25 -6.249 -9.026 6.551 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.743 -8.962 4.014 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.913 -7.270 4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.449 -6.307 4.889 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.441 -8.374 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.233 -5.957 0.209 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.311 -7.596 -0.109 1.00 0.00 H new ATOM 396 N GLU A 26 -2.735 -7.939 5.011 1.00 0.00 N ATOM 397 CA GLU A 26 -1.480 -7.529 5.627 1.00 0.00 C ATOM 398 C GLU A 26 -0.864 -6.383 4.831 1.00 0.00 C ATOM 399 O GLU A 26 0.078 -6.579 4.064 1.00 0.00 O ATOM 400 CB GLU A 26 -0.506 -8.708 5.694 1.00 0.00 C ATOM 401 CG GLU A 26 0.376 -8.697 6.934 1.00 0.00 C ATOM 402 CD GLU A 26 0.850 -10.085 7.321 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.582 -10.706 6.524 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.488 -10.548 8.424 1.00 0.00 O ATOM 0 H GLU A 26 -2.659 -8.167 4.020 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.682 -7.190 6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.073 -9.639 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.128 -8.697 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.241 -8.058 6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.177 -8.260 7.766 1.00 0.00 H new ATOM 411 N PHE A 27 -1.418 -5.190 5.015 1.00 0.00 N ATOM 412 CA PHE A 27 -0.944 -4.004 4.307 1.00 0.00 C ATOM 413 C PHE A 27 0.462 -3.623 4.742 1.00 0.00 C ATOM 414 O PHE A 27 0.936 -4.043 5.794 1.00 0.00 O ATOM 415 CB PHE A 27 -1.900 -2.829 4.519 1.00 0.00 C ATOM 416 CG PHE A 27 -3.352 -3.215 4.474 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.019 -3.306 3.262 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.049 -3.484 5.640 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.354 -3.661 3.216 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.385 -3.838 5.600 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.038 -3.926 4.385 1.00 0.00 C ATOM 0 H PHE A 27 -2.198 -5.017 5.650 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.915 -4.245 3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.686 -2.367 5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.710 -2.075 3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.490 -3.097 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.543 -3.416 6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.862 -3.731 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.917 -4.045 6.517 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.082 -4.202 4.350 1.00 0.00 H new ATOM 431 N ILE A 28 1.132 -2.840 3.906 1.00 0.00 N ATOM 432 CA ILE A 28 2.494 -2.410 4.187 1.00 0.00 C ATOM 433 C ILE A 28 2.635 -0.900 4.041 1.00 0.00 C ATOM 434 O ILE A 28 2.180 -0.318 3.056 1.00 0.00 O ATOM 435 CB ILE A 28 3.496 -3.101 3.245 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.132 -4.581 3.069 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.916 -2.941 3.770 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.539 -5.457 4.234 1.00 0.00 C ATOM 0 H ILE A 28 0.753 -2.490 3.026 1.00 0.00 H new ATOM 0 HA ILE A 28 2.714 -2.692 5.217 1.00 0.00 H new ATOM 0 HB ILE A 28 3.444 -2.624 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.055 -4.665 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.607 -4.956 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.612 -3.435 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.163 -1.881 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.991 -3.392 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.247 -6.488 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.619 -5.405 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.044 -5.110 5.141 1.00 0.00 H new ATOM 450 N PRO A 29 3.271 -0.243 5.023 1.00 0.00 N ATOM 451 CA PRO A 29 3.469 1.206 5.002 1.00 0.00 C ATOM 452 C PRO A 29 4.452 1.648 3.929 1.00 0.00 C ATOM 453 O PRO A 29 5.639 1.321 3.984 1.00 0.00 O ATOM 454 CB PRO A 29 4.029 1.512 6.389 1.00 0.00 C ATOM 455 CG PRO A 29 4.667 0.243 6.833 1.00 0.00 C ATOM 456 CD PRO A 29 3.847 -0.862 6.232 1.00 0.00 C ATOM 0 HA PRO A 29 2.543 1.733 4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.753 2.326 6.352 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.239 1.818 7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.702 0.188 6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.681 0.172 7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.460 -1.729 5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.071 -1.204 6.917 1.00 0.00 H new ATOM 464 N THR A 30 3.954 2.397 2.953 1.00 0.00 N ATOM 465 CA THR A 30 4.791 2.888 1.871 1.00 0.00 C ATOM 466 C THR A 30 4.206 4.163 1.267 1.00 0.00 C ATOM 467 O THR A 30 3.036 4.481 1.479 1.00 0.00 O ATOM 468 CB THR A 30 4.946 1.819 0.789 1.00 0.00 C ATOM 469 OG1 THR A 30 5.844 2.249 -0.218 1.00 0.00 O ATOM 470 CG2 THR A 30 3.640 1.458 0.114 1.00 0.00 C ATOM 0 H THR A 30 2.975 2.676 2.890 1.00 0.00 H new ATOM 0 HA THR A 30 5.774 3.120 2.282 1.00 0.00 H new ATOM 0 HB THR A 30 5.326 0.938 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.930 1.550 -0.899 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.820 0.695 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.940 1.074 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.217 2.345 -0.359 1.00 0.00 H new ATOM 478 N LEU A 31 5.027 4.889 0.514 1.00 0.00 N ATOM 479 CA LEU A 31 4.590 6.128 -0.121 1.00 0.00 C ATOM 480 C LEU A 31 4.516 5.963 -1.635 1.00 0.00 C ATOM 481 O LEU A 31 5.172 5.091 -2.206 1.00 0.00 O ATOM 482 CB LEU A 31 5.542 7.269 0.236 1.00 0.00 C ATOM 483 CG LEU A 31 5.654 7.573 1.731 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.591 8.748 1.967 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.281 7.857 2.319 1.00 0.00 C ATOM 0 H LEU A 31 5.999 4.641 0.329 1.00 0.00 H new ATOM 0 HA LEU A 31 3.593 6.368 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.534 7.027 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.213 8.171 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 31 6.069 6.698 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.659 8.950 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.581 8.507 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.205 9.629 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.378 8.071 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.840 8.717 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.639 6.987 2.181 1.00 0.00 H new ATOM 497 N TYR A 32 3.713 6.802 -2.281 1.00 0.00 N ATOM 498 CA TYR A 32 3.557 6.744 -3.731 1.00 0.00 C ATOM 499 C TYR A 32 3.586 8.141 -4.344 1.00 0.00 C ATOM 500 O TYR A 32 2.722 8.972 -4.063 1.00 0.00 O ATOM 501 CB TYR A 32 2.250 6.037 -4.094 1.00 0.00 C ATOM 502 CG TYR A 32 2.321 4.534 -3.955 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.791 3.743 -4.996 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.922 3.906 -2.782 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.860 2.369 -4.871 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.990 2.532 -2.650 1.00 0.00 C ATOM 507 CZ TYR A 32 2.459 1.768 -3.698 1.00 0.00 C ATOM 508 OH TYR A 32 2.527 0.400 -3.570 1.00 0.00 O ATOM 0 H TYR A 32 3.161 7.529 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 32 4.394 6.177 -4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.451 6.416 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.984 6.287 -5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.107 4.210 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.553 4.501 -1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.227 1.768 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.677 2.059 -1.731 1.00 0.00 H new ATOM 0 HH TYR A 32 2.986 0.172 -2.735 1.00 0.00 H new ATOM 518 N HIS A 33 4.586 8.389 -5.182 1.00 0.00 N ATOM 519 CA HIS A 33 4.732 9.684 -5.839 1.00 0.00 C ATOM 520 C HIS A 33 4.013 9.708 -7.187 1.00 0.00 C ATOM 521 O HIS A 33 3.919 10.755 -7.830 1.00 0.00 O ATOM 522 CB HIS A 33 6.214 10.014 -6.033 1.00 0.00 C ATOM 523 CG HIS A 33 6.789 10.853 -4.937 1.00 0.00 C ATOM 524 ND1 HIS A 33 6.688 12.229 -4.908 1.00 0.00 N ATOM 525 CD2 HIS A 33 7.477 10.505 -3.823 1.00 0.00 C ATOM 526 CE1 HIS A 33 7.288 12.691 -3.826 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.775 11.666 -3.150 1.00 0.00 N ATOM 0 H HIS A 33 5.308 7.710 -5.423 1.00 0.00 H new ATOM 0 HA HIS A 33 4.275 10.437 -5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.779 9.084 -6.102 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.340 10.535 -6.982 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.742 9.503 -3.520 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.367 13.730 -3.542 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.289 11.726 -2.271 1.00 0.00 H new ATOM 536 N PHE A 34 3.506 8.553 -7.614 1.00 0.00 N ATOM 537 CA PHE A 34 2.797 8.455 -8.886 1.00 0.00 C ATOM 538 C PHE A 34 1.311 8.197 -8.655 1.00 0.00 C ATOM 539 O PHE A 34 0.884 7.950 -7.528 1.00 0.00 O ATOM 540 CB PHE A 34 3.394 7.340 -9.749 1.00 0.00 C ATOM 541 CG PHE A 34 4.894 7.267 -9.688 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.533 6.776 -8.562 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.664 7.695 -10.758 1.00 0.00 C ATOM 544 CE1 PHE A 34 6.911 6.710 -8.504 1.00 0.00 C ATOM 545 CE2 PHE A 34 7.043 7.631 -10.707 1.00 0.00 C ATOM 546 CZ PHE A 34 7.668 7.140 -9.578 1.00 0.00 C ATOM 0 H PHE A 34 3.573 7.675 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 34 2.909 9.404 -9.411 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.979 6.384 -9.430 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.088 7.491 -10.784 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.947 6.441 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.180 8.083 -11.642 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.397 6.323 -7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.631 7.965 -11.549 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.746 7.092 -9.534 1.00 0.00 H new ATOM 556 N PRO A 35 0.500 8.259 -9.723 1.00 0.00 N ATOM 557 CA PRO A 35 -0.949 8.038 -9.631 1.00 0.00 C ATOM 558 C PRO A 35 -1.305 6.639 -9.135 1.00 0.00 C ATOM 559 O PRO A 35 -1.349 5.688 -9.914 1.00 0.00 O ATOM 560 CB PRO A 35 -1.440 8.231 -11.072 1.00 0.00 C ATOM 561 CG PRO A 35 -0.354 8.993 -11.754 1.00 0.00 C ATOM 562 CD PRO A 35 0.922 8.555 -11.101 1.00 0.00 C ATOM 0 HA PRO A 35 -1.409 8.717 -8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.616 7.272 -11.560 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.382 8.779 -11.097 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.339 8.781 -12.823 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.501 10.067 -11.644 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.347 7.679 -11.591 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.681 9.337 -11.132 1.00 0.00 H new ATOM 570 N THR A 36 -1.569 6.525 -7.838 1.00 0.00 N ATOM 571 CA THR A 36 -1.936 5.244 -7.244 1.00 0.00 C ATOM 572 C THR A 36 -3.406 5.264 -6.831 1.00 0.00 C ATOM 573 O THR A 36 -3.853 6.176 -6.137 1.00 0.00 O ATOM 574 CB THR A 36 -1.038 4.934 -6.040 1.00 0.00 C ATOM 575 OG1 THR A 36 0.265 4.581 -6.468 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.552 3.804 -5.171 1.00 0.00 C ATOM 0 H THR A 36 -1.536 7.302 -7.179 1.00 0.00 H new ATOM 0 HA THR A 36 -1.793 4.457 -7.984 1.00 0.00 H new ATOM 0 HB THR A 36 -1.033 5.849 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.841 4.449 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.865 3.643 -4.340 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.537 4.063 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.624 2.893 -5.764 1.00 0.00 H new ATOM 584 N ASN A 37 -4.156 4.261 -7.272 1.00 0.00 N ATOM 585 CA ASN A 37 -5.577 4.179 -6.957 1.00 0.00 C ATOM 586 C ASN A 37 -5.824 3.323 -5.719 1.00 0.00 C ATOM 587 O ASN A 37 -5.559 2.121 -5.720 1.00 0.00 O ATOM 588 CB ASN A 37 -6.351 3.607 -8.146 1.00 0.00 C ATOM 589 CG ASN A 37 -6.403 4.568 -9.319 1.00 0.00 C ATOM 590 OD1 ASN A 37 -7.436 5.181 -9.588 1.00 0.00 O ATOM 591 ND2 ASN A 37 -5.287 4.701 -10.024 1.00 0.00 N ATOM 0 H ASN A 37 -3.805 3.495 -7.847 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.930 5.189 -6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.885 2.674 -8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.367 3.365 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.262 5.332 -10.825 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.454 4.173 -9.765 1.00 0.00 H new ATOM 598 N CYS A 38 -6.347 3.949 -4.669 1.00 0.00 N ATOM 599 CA CYS A 38 -6.644 3.242 -3.430 1.00 0.00 C ATOM 600 C CYS A 38 -7.668 2.136 -3.692 1.00 0.00 C ATOM 601 O CYS A 38 -8.312 2.116 -4.741 1.00 0.00 O ATOM 602 CB CYS A 38 -7.145 4.236 -2.366 1.00 0.00 C ATOM 603 SG CYS A 38 -8.747 3.815 -1.588 1.00 0.00 S ATOM 0 H CYS A 38 -6.573 4.943 -4.652 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.736 2.774 -3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.390 4.315 -1.583 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.232 5.221 -2.826 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.456 4.895 -1.443 1.00 0.00 H new ATOM 608 N GLU A 39 -7.805 1.215 -2.747 1.00 0.00 N ATOM 609 CA GLU A 39 -8.744 0.107 -2.893 1.00 0.00 C ATOM 610 C GLU A 39 -10.003 0.326 -2.057 1.00 0.00 C ATOM 611 O GLU A 39 -11.089 -0.116 -2.431 1.00 0.00 O ATOM 612 CB GLU A 39 -8.072 -1.210 -2.493 1.00 0.00 C ATOM 613 CG GLU A 39 -8.097 -2.262 -3.591 1.00 0.00 C ATOM 614 CD GLU A 39 -9.495 -2.524 -4.116 1.00 0.00 C ATOM 615 OE1 GLU A 39 -9.964 -1.742 -4.970 1.00 0.00 O ATOM 616 OE2 GLU A 39 -10.120 -3.510 -3.672 1.00 0.00 O ATOM 0 H GLU A 39 -7.280 1.212 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.041 0.058 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.037 -1.011 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.569 -1.608 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.459 -1.939 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.677 -3.192 -3.208 1.00 0.00 H new ATOM 623 N ALA A 40 -9.849 0.999 -0.922 1.00 0.00 N ATOM 624 CA ALA A 40 -10.977 1.261 -0.033 1.00 0.00 C ATOM 625 C ALA A 40 -12.035 2.138 -0.707 1.00 0.00 C ATOM 626 O ALA A 40 -13.014 1.630 -1.252 1.00 0.00 O ATOM 627 CB ALA A 40 -10.491 1.899 1.259 1.00 0.00 C ATOM 0 H ALA A 40 -8.958 1.372 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.448 0.306 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.342 2.089 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.793 1.226 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.989 2.840 1.034 1.00 0.00 H new ATOM 633 N CYS A 41 -11.837 3.453 -0.660 1.00 0.00 N ATOM 634 CA CYS A 41 -12.785 4.389 -1.260 1.00 0.00 C ATOM 635 C CYS A 41 -12.559 4.514 -2.765 1.00 0.00 C ATOM 636 O CYS A 41 -11.792 3.754 -3.355 1.00 0.00 O ATOM 637 CB CYS A 41 -12.679 5.765 -0.590 1.00 0.00 C ATOM 638 SG CYS A 41 -11.185 6.713 -1.033 1.00 0.00 S ATOM 0 H CYS A 41 -11.032 3.894 -0.215 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.789 3.997 -1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.558 6.352 -0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.700 5.630 0.491 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.197 7.856 -0.414 1.00 0.00 H new ATOM 643 N MET A 42 -13.239 5.478 -3.381 1.00 0.00 N ATOM 644 CA MET A 42 -13.119 5.702 -4.817 1.00 0.00 C ATOM 645 C MET A 42 -12.427 7.030 -5.112 1.00 0.00 C ATOM 646 O MET A 42 -12.853 7.784 -5.989 1.00 0.00 O ATOM 647 CB MET A 42 -14.503 5.679 -5.473 1.00 0.00 C ATOM 648 CG MET A 42 -15.192 4.327 -5.388 1.00 0.00 C ATOM 649 SD MET A 42 -16.988 4.455 -5.509 1.00 0.00 S ATOM 650 CE MET A 42 -17.492 2.953 -4.673 1.00 0.00 C ATOM 0 H MET A 42 -13.878 6.116 -2.907 1.00 0.00 H new ATOM 0 HA MET A 42 -12.510 4.899 -5.233 1.00 0.00 H new ATOM 0 HB2 MET A 42 -15.134 6.430 -4.998 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.404 5.962 -6.521 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.823 3.684 -6.187 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.928 3.847 -4.445 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.580 2.888 -4.666 1.00 0.00 H new ATOM 0 HE2 MET A 42 -17.081 2.090 -5.196 1.00 0.00 H new ATOM 0 HE3 MET A 42 -17.123 2.966 -3.648 1.00 0.00 H new ATOM 660 N LYS A 43 -11.356 7.310 -4.377 1.00 0.00 N ATOM 661 CA LYS A 43 -10.601 8.544 -4.565 1.00 0.00 C ATOM 662 C LYS A 43 -9.153 8.238 -4.938 1.00 0.00 C ATOM 663 O LYS A 43 -8.642 7.159 -4.637 1.00 0.00 O ATOM 664 CB LYS A 43 -10.651 9.397 -3.293 1.00 0.00 C ATOM 665 CG LYS A 43 -11.274 10.769 -3.504 1.00 0.00 C ATOM 666 CD LYS A 43 -10.439 11.867 -2.865 1.00 0.00 C ATOM 667 CE LYS A 43 -10.989 13.246 -3.192 1.00 0.00 C ATOM 668 NZ LYS A 43 -9.960 14.309 -3.025 1.00 0.00 N ATOM 0 H LYS A 43 -10.991 6.700 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.057 9.104 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.217 8.863 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.638 9.522 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.375 10.963 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.278 10.782 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.420 11.729 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.409 11.793 -3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.358 13.256 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.840 13.460 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.375 15.234 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.626 14.317 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.159 14.120 -3.660 1.00 0.00 H new ATOM 682 N PRO A 44 -8.472 9.183 -5.608 1.00 0.00 N ATOM 683 CA PRO A 44 -7.079 9.003 -6.025 1.00 0.00 C ATOM 684 C PRO A 44 -6.109 9.013 -4.848 1.00 0.00 C ATOM 685 O PRO A 44 -6.268 9.789 -3.905 1.00 0.00 O ATOM 686 CB PRO A 44 -6.824 10.203 -6.939 1.00 0.00 C ATOM 687 CG PRO A 44 -7.786 11.242 -6.478 1.00 0.00 C ATOM 688 CD PRO A 44 -9.006 10.498 -6.011 1.00 0.00 C ATOM 0 HA PRO A 44 -6.923 8.039 -6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.795 10.552 -6.856 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.990 9.946 -7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.360 11.838 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.034 11.930 -7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.492 11.006 -5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.748 10.404 -6.804 1.00 0.00 H new ATOM 696 N LEU A 45 -5.101 8.148 -4.913 1.00 0.00 N ATOM 697 CA LEU A 45 -4.101 8.055 -3.858 1.00 0.00 C ATOM 698 C LEU A 45 -2.709 8.380 -4.398 1.00 0.00 C ATOM 699 O LEU A 45 -2.126 7.594 -5.142 1.00 0.00 O ATOM 700 CB LEU A 45 -4.103 6.652 -3.244 1.00 0.00 C ATOM 701 CG LEU A 45 -3.361 6.528 -1.912 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.040 5.514 -1.011 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.909 6.141 -2.143 1.00 0.00 C ATOM 0 H LEU A 45 -4.956 7.501 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.355 8.783 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.136 6.337 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.657 5.959 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.387 7.499 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.496 5.442 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.064 5.830 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.048 4.540 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.398 6.058 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.866 5.183 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.421 6.904 -2.749 1.00 0.00 H new ATOM 715 N TRP A 46 -2.184 9.545 -4.021 1.00 0.00 N ATOM 716 CA TRP A 46 -0.858 9.969 -4.470 1.00 0.00 C ATOM 717 C TRP A 46 -0.575 11.411 -4.060 1.00 0.00 C ATOM 718 O TRP A 46 -1.436 12.090 -3.502 1.00 0.00 O ATOM 719 CB TRP A 46 -0.731 9.833 -5.990 1.00 0.00 C ATOM 720 CG TRP A 46 -1.867 10.457 -6.741 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.922 9.810 -7.319 1.00 0.00 C ATOM 722 CD2 TRP A 46 -2.062 11.853 -7.000 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.759 10.718 -7.922 1.00 0.00 N ATOM 724 CE2 TRP A 46 -3.254 11.978 -7.737 1.00 0.00 C ATOM 725 CE3 TRP A 46 -1.344 13.009 -6.677 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.743 13.212 -8.159 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.832 14.232 -7.095 1.00 0.00 C ATOM 728 CH2 TRP A 46 -3.022 14.327 -7.830 1.00 0.00 C ATOM 0 H TRP A 46 -2.655 10.210 -3.408 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.126 9.319 -3.992 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.203 10.293 -6.312 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.671 8.776 -6.249 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.076 8.741 -7.304 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.617 10.491 -8.425 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.426 12.947 -6.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.659 13.286 -8.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.287 15.132 -6.851 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.376 15.298 -8.142 1.00 0.00 H new ATOM 739 N HIS A 47 0.641 11.868 -4.346 1.00 0.00 N ATOM 740 CA HIS A 47 1.047 13.229 -4.016 1.00 0.00 C ATOM 741 C HIS A 47 2.495 13.475 -4.433 1.00 0.00 C ATOM 742 O HIS A 47 3.407 12.781 -3.984 1.00 0.00 O ATOM 743 CB HIS A 47 0.886 13.487 -2.515 1.00 0.00 C ATOM 744 CG HIS A 47 -0.192 14.476 -2.195 1.00 0.00 C ATOM 745 ND1 HIS A 47 -0.512 15.536 -3.018 1.00 0.00 N ATOM 746 CD2 HIS A 47 -1.027 14.563 -1.131 1.00 0.00 C ATOM 747 CE1 HIS A 47 -1.495 16.231 -2.476 1.00 0.00 C ATOM 748 NE2 HIS A 47 -1.826 15.662 -1.332 1.00 0.00 N ATOM 0 H HIS A 47 1.363 11.314 -4.806 1.00 0.00 H new ATOM 0 HA HIS A 47 0.403 13.917 -4.564 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.665 12.545 -2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.832 13.849 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.058 13.894 -0.284 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.951 17.115 -2.897 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.557 15.986 -0.699 1.00 0.00 H new ATOM 757 N MET A 48 2.696 14.464 -5.296 1.00 0.00 N ATOM 758 CA MET A 48 4.031 14.801 -5.774 1.00 0.00 C ATOM 759 C MET A 48 4.826 15.531 -4.703 1.00 0.00 C ATOM 760 O MET A 48 6.000 15.240 -4.478 1.00 0.00 O ATOM 761 CB MET A 48 3.946 15.671 -7.027 1.00 0.00 C ATOM 762 CG MET A 48 3.221 16.989 -6.806 1.00 0.00 C ATOM 763 SD MET A 48 3.083 17.966 -8.315 1.00 0.00 S ATOM 764 CE MET A 48 1.890 17.001 -9.236 1.00 0.00 C ATOM 0 H MET A 48 1.951 15.046 -5.679 1.00 0.00 H new ATOM 0 HA MET A 48 4.542 13.869 -6.016 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.955 15.877 -7.385 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.436 15.113 -7.812 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.224 16.790 -6.414 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.751 17.568 -6.050 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.487 17.602 -10.051 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.376 16.115 -9.645 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.079 16.697 -8.574 1.00 0.00 H new ATOM 774 N PHE A 49 4.181 16.489 -4.051 1.00 0.00 N ATOM 775 CA PHE A 49 4.832 17.271 -3.012 1.00 0.00 C ATOM 776 C PHE A 49 5.110 16.421 -1.777 1.00 0.00 C ATOM 777 O PHE A 49 6.263 16.118 -1.468 1.00 0.00 O ATOM 778 CB PHE A 49 3.971 18.477 -2.634 1.00 0.00 C ATOM 779 CG PHE A 49 3.784 19.456 -3.758 1.00 0.00 C ATOM 780 CD1 PHE A 49 4.694 20.480 -3.962 1.00 0.00 C ATOM 781 CD2 PHE A 49 2.695 19.353 -4.610 1.00 0.00 C ATOM 782 CE1 PHE A 49 4.524 21.382 -4.995 1.00 0.00 C ATOM 783 CE2 PHE A 49 2.519 20.252 -5.645 1.00 0.00 C ATOM 784 CZ PHE A 49 3.435 21.267 -5.837 1.00 0.00 C ATOM 0 H PHE A 49 3.208 16.742 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 49 5.785 17.624 -3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.994 18.126 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.429 18.990 -1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.547 20.575 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.976 18.561 -4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.241 22.176 -5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.667 20.161 -6.302 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.300 21.971 -6.645 1.00 0.00 H new ATOM 794 N LYS A 50 4.049 16.045 -1.072 1.00 0.00 N ATOM 795 CA LYS A 50 4.183 15.234 0.133 1.00 0.00 C ATOM 796 C LYS A 50 3.298 13.991 0.061 1.00 0.00 C ATOM 797 O LYS A 50 2.122 14.036 0.422 1.00 0.00 O ATOM 798 CB LYS A 50 3.814 16.058 1.367 1.00 0.00 C ATOM 799 CG LYS A 50 4.836 17.129 1.711 1.00 0.00 C ATOM 800 CD LYS A 50 6.132 16.520 2.222 1.00 0.00 C ATOM 801 CE LYS A 50 7.102 17.590 2.697 1.00 0.00 C ATOM 802 NZ LYS A 50 8.511 17.253 2.352 1.00 0.00 N ATOM 0 H LYS A 50 3.088 16.288 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 50 5.222 14.914 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.846 16.531 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.700 15.389 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.041 17.735 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.424 17.797 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.915 15.835 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.596 15.933 1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.837 18.547 2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.011 17.710 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.142 18.007 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.773 16.353 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.604 17.164 1.320 1.00 0.00 H new ATOM 816 N PRO A 51 3.853 12.857 -0.405 1.00 0.00 N ATOM 817 CA PRO A 51 3.104 11.602 -0.517 1.00 0.00 C ATOM 818 C PRO A 51 2.630 11.092 0.844 1.00 0.00 C ATOM 819 O PRO A 51 3.441 10.831 1.733 1.00 0.00 O ATOM 820 CB PRO A 51 4.112 10.625 -1.134 1.00 0.00 C ATOM 821 CG PRO A 51 5.449 11.220 -0.855 1.00 0.00 C ATOM 822 CD PRO A 51 5.248 12.709 -0.855 1.00 0.00 C ATOM 0 HA PRO A 51 2.199 11.723 -1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.022 9.633 -0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.946 10.512 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.835 10.878 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.174 10.924 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.944 13.210 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.399 13.136 -1.846 1.00 0.00 H new ATOM 830 N PRO A 52 1.307 10.946 1.027 1.00 0.00 N ATOM 831 CA PRO A 52 0.733 10.467 2.287 1.00 0.00 C ATOM 832 C PRO A 52 1.075 9.006 2.559 1.00 0.00 C ATOM 833 O PRO A 52 1.336 8.238 1.633 1.00 0.00 O ATOM 834 CB PRO A 52 -0.776 10.635 2.083 1.00 0.00 C ATOM 835 CG PRO A 52 -0.964 10.610 0.607 1.00 0.00 C ATOM 836 CD PRO A 52 0.267 11.234 0.023 1.00 0.00 C ATOM 0 HA PRO A 52 1.121 11.016 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.333 9.832 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.131 11.572 2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.092 9.589 0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.857 11.164 0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.515 10.802 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.141 12.306 -0.128 1.00 0.00 H new ATOM 844 N PRO A 53 1.078 8.601 3.840 1.00 0.00 N ATOM 845 CA PRO A 53 1.390 7.222 4.229 1.00 0.00 C ATOM 846 C PRO A 53 0.366 6.225 3.701 1.00 0.00 C ATOM 847 O PRO A 53 -0.662 5.987 4.332 1.00 0.00 O ATOM 848 CB PRO A 53 1.355 7.259 5.761 1.00 0.00 C ATOM 849 CG PRO A 53 0.530 8.452 6.100 1.00 0.00 C ATOM 850 CD PRO A 53 0.777 9.449 5.006 1.00 0.00 C ATOM 0 HA PRO A 53 2.346 6.895 3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.917 6.348 6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.359 7.343 6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.527 8.192 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.813 8.859 7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.095 10.079 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.607 10.113 5.246 1.00 0.00 H new ATOM 858 N ALA A 54 0.655 5.642 2.544 1.00 0.00 N ATOM 859 CA ALA A 54 -0.241 4.667 1.938 1.00 0.00 C ATOM 860 C ALA A 54 0.110 3.256 2.396 1.00 0.00 C ATOM 861 O ALA A 54 1.233 2.994 2.826 1.00 0.00 O ATOM 862 CB ALA A 54 -0.180 4.765 0.421 1.00 0.00 C ATOM 0 H ALA A 54 1.502 5.828 2.007 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.259 4.887 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.855 4.030 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.480 5.765 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.838 4.570 0.084 1.00 0.00 H new ATOM 868 N LEU A 55 -0.857 2.353 2.306 1.00 0.00 N ATOM 869 CA LEU A 55 -0.648 0.970 2.717 1.00 0.00 C ATOM 870 C LEU A 55 -0.836 0.019 1.542 1.00 0.00 C ATOM 871 O LEU A 55 -1.928 -0.092 0.987 1.00 0.00 O ATOM 872 CB LEU A 55 -1.605 0.604 3.851 1.00 0.00 C ATOM 873 CG LEU A 55 -1.634 1.594 5.016 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.609 1.131 6.086 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.238 1.766 5.599 1.00 0.00 C ATOM 0 H LEU A 55 -1.793 2.552 1.953 1.00 0.00 H new ATOM 0 HA LEU A 55 0.377 0.873 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.612 0.517 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.331 -0.378 4.235 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.973 2.560 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.616 1.848 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.609 1.058 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.302 0.154 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.274 2.474 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.127 0.804 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.434 2.144 4.828 1.00 0.00 H new ATOM 887 N GLU A 56 0.242 -0.665 1.166 1.00 0.00 N ATOM 888 CA GLU A 56 0.202 -1.607 0.052 1.00 0.00 C ATOM 889 C GLU A 56 0.135 -3.046 0.550 1.00 0.00 C ATOM 890 O GLU A 56 0.881 -3.438 1.445 1.00 0.00 O ATOM 891 CB GLU A 56 1.435 -1.424 -0.837 1.00 0.00 C ATOM 892 CG GLU A 56 1.327 -2.129 -2.179 1.00 0.00 C ATOM 893 CD GLU A 56 2.650 -2.709 -2.639 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.314 -3.390 -1.829 1.00 0.00 O ATOM 895 OE2 GLU A 56 3.021 -2.484 -3.810 1.00 0.00 O ATOM 0 H GLU A 56 1.153 -0.584 1.617 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.697 -1.403 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.595 -0.359 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.312 -1.798 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.589 -2.928 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.963 -1.425 -2.927 1.00 0.00 H new ATOM 902 N CYS A 57 -0.760 -3.832 -0.041 1.00 0.00 N ATOM 903 CA CYS A 57 -0.915 -5.229 0.343 1.00 0.00 C ATOM 904 C CYS A 57 0.240 -6.065 -0.196 1.00 0.00 C ATOM 905 O CYS A 57 0.639 -5.919 -1.351 1.00 0.00 O ATOM 906 CB CYS A 57 -2.249 -5.779 -0.171 1.00 0.00 C ATOM 907 SG CYS A 57 -2.497 -7.558 0.138 1.00 0.00 S ATOM 0 H CYS A 57 -1.387 -3.526 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.907 -5.288 1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.062 -5.224 0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.315 -5.596 -1.244 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.628 -7.763 1.415 1.00 0.00 H new ATOM 912 N ARG A 58 0.769 -6.944 0.647 1.00 0.00 N ATOM 913 CA ARG A 58 1.877 -7.806 0.253 1.00 0.00 C ATOM 914 C ARG A 58 1.362 -9.163 -0.223 1.00 0.00 C ATOM 915 O ARG A 58 2.031 -10.183 -0.066 1.00 0.00 O ATOM 916 CB ARG A 58 2.851 -7.983 1.422 1.00 0.00 C ATOM 917 CG ARG A 58 2.224 -8.627 2.647 1.00 0.00 C ATOM 918 CD ARG A 58 3.194 -8.669 3.819 1.00 0.00 C ATOM 919 NE ARG A 58 3.474 -10.036 4.250 1.00 0.00 N ATOM 920 CZ ARG A 58 4.395 -10.820 3.691 1.00 0.00 C ATOM 921 NH1 ARG A 58 5.124 -10.378 2.673 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.587 -12.048 4.151 1.00 0.00 N ATOM 0 H ARG A 58 0.449 -7.079 1.606 1.00 0.00 H new ATOM 0 HA ARG A 58 2.406 -7.333 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.693 -8.592 1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.252 -7.008 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.331 -8.072 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.905 -9.640 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.126 -8.180 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.779 -8.104 4.653 1.00 0.00 H new ATOM 0 HE ARG A 58 2.931 -10.414 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.980 -9.434 2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.828 -10.983 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.030 -12.393 4.933 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.292 -12.648 3.723 1.00 0.00 H new ATOM 936 N ARG A 59 0.167 -9.161 -0.807 1.00 0.00 N ATOM 937 CA ARG A 59 -0.449 -10.382 -1.312 1.00 0.00 C ATOM 938 C ARG A 59 -1.088 -10.144 -2.682 1.00 0.00 C ATOM 939 O ARG A 59 -0.515 -10.503 -3.711 1.00 0.00 O ATOM 940 CB ARG A 59 -1.495 -10.900 -0.321 1.00 0.00 C ATOM 941 CG ARG A 59 -0.953 -11.101 1.087 1.00 0.00 C ATOM 942 CD ARG A 59 -1.700 -10.254 2.108 1.00 0.00 C ATOM 943 NE ARG A 59 -2.120 -11.037 3.266 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.276 -11.581 4.141 1.00 0.00 C ATOM 945 NH1 ARG A 59 0.033 -11.428 3.992 1.00 0.00 N ATOM 946 NH2 ARG A 59 -1.744 -12.279 5.166 1.00 0.00 N ATOM 0 H ARG A 59 -0.396 -8.321 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 59 0.331 -11.135 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.328 -10.197 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.893 -11.847 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.033 -12.153 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.106 -10.845 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.060 -9.435 2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.575 -9.806 1.637 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.120 -11.176 3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.397 -10.892 3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.675 -11.847 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.750 -12.399 5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.098 -12.696 5.836 1.00 0.00 H new ATOM 960 N CYS A 60 -2.275 -9.534 -2.695 1.00 0.00 N ATOM 961 CA CYS A 60 -2.978 -9.250 -3.945 1.00 0.00 C ATOM 962 C CYS A 60 -2.484 -7.949 -4.578 1.00 0.00 C ATOM 963 O CYS A 60 -2.860 -7.619 -5.702 1.00 0.00 O ATOM 964 CB CYS A 60 -4.490 -9.172 -3.710 1.00 0.00 C ATOM 965 SG CYS A 60 -5.030 -7.720 -2.751 1.00 0.00 S ATOM 0 H CYS A 60 -2.767 -9.228 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.766 -10.069 -4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.995 -9.162 -4.676 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.812 -10.075 -3.191 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.205 -7.519 -1.766 1.00 0.00 H new ATOM 970 N HIS A 61 -1.646 -7.210 -3.849 1.00 0.00 N ATOM 971 CA HIS A 61 -1.103 -5.946 -4.338 1.00 0.00 C ATOM 972 C HIS A 61 -2.195 -4.886 -4.459 1.00 0.00 C ATOM 973 O HIS A 61 -2.841 -4.758 -5.499 1.00 0.00 O ATOM 974 CB HIS A 61 -0.411 -6.145 -5.690 1.00 0.00 C ATOM 975 CG HIS A 61 1.055 -6.423 -5.571 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.944 -5.547 -4.982 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.791 -7.489 -5.969 1.00 0.00 C ATOM 978 CE1 HIS A 61 3.160 -6.061 -5.022 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.095 -7.238 -5.615 1.00 0.00 N ATOM 0 H HIS A 61 -1.329 -7.468 -2.915 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.368 -5.597 -3.613 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.889 -6.971 -6.216 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.556 -5.253 -6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.422 -8.371 -6.471 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.055 -5.597 -4.635 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.885 -7.861 -5.783 1.00 0.00 H new ATOM 988 N ILE A 62 -2.385 -4.125 -3.387 1.00 0.00 N ATOM 989 CA ILE A 62 -3.386 -3.064 -3.358 1.00 0.00 C ATOM 990 C ILE A 62 -2.967 -1.965 -2.394 1.00 0.00 C ATOM 991 O ILE A 62 -2.522 -2.244 -1.281 1.00 0.00 O ATOM 992 CB ILE A 62 -4.769 -3.592 -2.938 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.703 -4.240 -1.552 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.285 -4.581 -3.966 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.734 -3.704 -0.584 1.00 0.00 C ATOM 0 H ILE A 62 -1.855 -4.224 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.458 -2.667 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.460 -2.751 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.840 -5.316 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.708 -4.084 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.264 -4.948 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.370 -4.088 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.592 -5.419 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.628 -4.208 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.585 -2.633 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.733 -3.884 -0.980 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.100 -0.716 -2.820 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.720 0.405 -1.977 1.00 0.00 C ATOM 1009 C LYS A 63 -3.937 1.080 -1.356 1.00 0.00 C ATOM 1010 O LYS A 63 -4.995 1.164 -1.974 1.00 0.00 O ATOM 1011 CB LYS A 63 -1.911 1.427 -2.774 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.835 0.806 -3.647 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.352 0.507 -5.044 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.211 0.295 -6.028 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.669 0.397 -7.441 1.00 0.00 N ATOM 0 H LYS A 63 -3.465 -0.457 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.103 0.009 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.589 2.003 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.445 2.128 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.018 1.482 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.478 -0.115 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.981 -0.383 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.979 1.331 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.568 1.035 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.235 -0.686 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.138 0.246 -8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.394 -0.325 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.071 1.341 -7.608 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.763 1.566 -0.131 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.830 2.248 0.596 1.00 0.00 C ATOM 1031 C CYS A 64 -4.236 3.184 1.645 1.00 0.00 C ATOM 1032 O CYS A 64 -3.434 2.759 2.477 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.751 1.235 1.281 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.443 -0.026 0.184 1.00 0.00 S ATOM 0 H CYS A 64 -2.885 1.499 0.384 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.413 2.828 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.194 0.739 2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.571 1.774 1.755 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.018 0.173 -1.028 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.622 4.459 1.602 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.105 5.446 2.560 1.00 0.00 C ATOM 1042 C HIS A 65 -4.133 4.903 3.975 1.00 0.00 C ATOM 1043 O HIS A 65 -5.134 4.337 4.417 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.894 6.772 2.544 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.909 6.896 1.452 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.906 7.856 0.462 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -7.003 6.152 1.243 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -6.998 7.657 -0.301 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.695 6.626 0.143 1.00 0.00 N ATOM 0 H HIS A 65 -5.284 4.834 0.923 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.081 5.644 2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.399 6.887 3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.186 7.596 2.456 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.204 8.585 0.331 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.301 5.306 1.845 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.267 8.257 -1.158 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.045 5.115 4.696 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.963 4.684 6.080 1.00 0.00 C ATOM 1059 C LYS A 66 -4.181 5.201 6.837 1.00 0.00 C ATOM 1060 O LYS A 66 -4.656 4.578 7.787 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.675 5.198 6.729 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.570 4.876 8.212 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.303 4.095 8.528 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.580 2.945 9.482 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.504 2.786 10.492 1.00 0.00 N ATOM 0 H LYS A 66 -2.208 5.582 4.346 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.947 3.595 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.819 4.766 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.617 6.278 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.580 5.802 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.441 4.298 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.126 3.707 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.437 4.763 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.528 3.117 9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.686 2.020 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.277 1.991 11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.405 2.597 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.588 3.659 11.051 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.678 6.359 6.397 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.839 6.988 7.012 1.00 0.00 C ATOM 1081 C ASP A 67 -7.007 6.012 7.149 1.00 0.00 C ATOM 1082 O ASP A 67 -7.643 5.945 8.201 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.276 8.204 6.193 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.586 9.479 6.638 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -5.278 9.599 7.843 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.354 10.358 5.782 1.00 0.00 O ATOM 0 H ASP A 67 -4.288 6.880 5.611 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.547 7.306 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.060 8.026 5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.355 8.329 6.280 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.296 5.255 6.087 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.411 4.296 6.137 1.00 0.00 C ATOM 1093 C HIS A 68 -8.272 3.357 7.331 1.00 0.00 C ATOM 1094 O HIS A 68 -9.223 3.149 8.084 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.509 3.473 4.848 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.111 4.227 3.706 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.109 5.167 3.843 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.777 4.222 2.394 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.338 5.700 2.634 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.553 5.162 1.721 1.00 0.00 N ATOM 0 H HIS A 68 -6.790 5.282 5.202 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.325 4.880 6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.512 3.135 4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.106 2.581 5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.028 3.589 1.941 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.069 6.469 2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.521 5.388 0.727 1.00 0.00 H new ATOM 1108 N MET A 69 -7.081 2.790 7.499 1.00 0.00 N ATOM 1109 CA MET A 69 -6.823 1.873 8.601 1.00 0.00 C ATOM 1110 C MET A 69 -6.851 2.605 9.939 1.00 0.00 C ATOM 1111 O MET A 69 -7.493 2.158 10.890 1.00 0.00 O ATOM 1112 CB MET A 69 -5.472 1.183 8.410 1.00 0.00 C ATOM 1113 CG MET A 69 -5.222 0.050 9.392 1.00 0.00 C ATOM 1114 SD MET A 69 -6.526 -1.196 9.364 1.00 0.00 S ATOM 1115 CE MET A 69 -6.298 -1.888 7.728 1.00 0.00 C ATOM 0 H MET A 69 -6.281 2.950 6.886 1.00 0.00 H new ATOM 0 HA MET A 69 -7.611 1.120 8.606 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.414 0.792 7.394 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.678 1.923 8.512 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.268 -0.423 9.159 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.138 0.459 10.399 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.270 -2.045 7.261 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.710 -1.200 7.121 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.775 -2.841 7.806 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.151 3.734 10.005 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.097 4.528 11.227 1.00 0.00 C ATOM 1127 C ASP A 70 -7.493 4.979 11.646 1.00 0.00 C ATOM 1128 O ASP A 70 -7.774 5.139 12.834 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.192 5.746 11.029 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.340 6.039 12.248 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.902 6.111 13.361 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.110 6.195 12.090 1.00 0.00 O ATOM 0 H ASP A 70 -5.614 4.119 9.228 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.685 3.903 12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.544 5.578 10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.806 6.617 10.800 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.364 5.182 10.663 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.732 5.613 10.929 1.00 0.00 C ATOM 1139 C LYS A 71 -10.659 4.416 11.141 1.00 0.00 C ATOM 1140 O LYS A 71 -11.753 4.558 11.682 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.251 6.475 9.776 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.435 7.739 9.548 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.296 8.987 9.659 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.453 10.251 9.609 1.00 0.00 C ATOM 1145 NZ LYS A 71 -10.240 11.428 9.149 1.00 0.00 N ATOM 0 H LYS A 71 -8.147 5.055 9.675 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.723 6.205 11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.251 5.882 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.286 6.752 9.977 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.627 7.788 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.973 7.702 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.024 9.001 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.859 8.960 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.043 10.453 10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.607 10.096 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.628 12.269 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.610 11.247 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.033 11.592 9.802 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.213 3.238 10.708 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.006 2.021 10.849 1.00 0.00 C ATOM 1161 C LYS A 72 -12.260 2.088 9.984 1.00 0.00 C ATOM 1162 O LYS A 72 -13.331 1.630 10.384 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.384 1.796 12.318 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.587 0.687 12.986 1.00 0.00 C ATOM 1165 CD LYS A 72 -10.689 -0.617 12.212 1.00 0.00 C ATOM 1166 CE LYS A 72 -10.676 -1.820 13.142 1.00 0.00 C ATOM 1167 NZ LYS A 72 -11.302 -3.018 12.513 1.00 0.00 N ATOM 0 H LYS A 72 -9.308 3.102 10.258 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.401 1.180 10.511 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.234 2.724 12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.446 1.557 12.379 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.541 0.985 13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.951 0.537 14.002 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.606 -0.621 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.859 -0.690 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.648 -2.052 13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.207 -1.574 14.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.039 -3.395 13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.728 -2.750 11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.576 -3.746 12.355 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.116 2.660 8.793 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.230 2.788 7.863 1.00 0.00 C ATOM 1183 C GLU A 73 -13.814 1.423 7.524 1.00 0.00 C ATOM 1184 O GLU A 73 -13.083 0.445 7.361 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.774 3.487 6.582 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.472 4.966 6.768 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.088 5.829 5.685 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -12.601 5.779 4.536 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -14.059 6.556 5.986 1.00 0.00 O ATOM 0 H GLU A 73 -11.235 3.043 8.449 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.003 3.388 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.882 2.988 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.548 3.376 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.844 5.289 7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.392 5.114 6.775 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.135 1.369 7.405 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.822 0.127 7.068 1.00 0.00 C ATOM 1198 C GLU A 74 -15.958 -0.012 5.556 1.00 0.00 C ATOM 1199 O GLU A 74 -17.010 -0.396 5.045 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.204 0.089 7.726 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.112 1.233 7.303 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.556 1.009 7.702 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -20.186 0.077 7.159 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.059 1.767 8.559 1.00 0.00 O ATOM 0 H GLU A 74 -15.752 2.170 7.537 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.231 -0.708 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.688 -0.857 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.082 0.114 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.755 2.160 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.053 1.358 6.222 1.00 0.00 H new ATOM 1211 N ILE A 75 -14.883 0.318 4.845 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.869 0.246 3.391 1.00 0.00 C ATOM 1213 C ILE A 75 -13.837 -0.766 2.891 1.00 0.00 C ATOM 1214 O ILE A 75 -13.916 -1.232 1.756 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.567 1.628 2.781 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.194 2.127 3.244 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.657 2.619 3.171 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.918 3.573 2.892 1.00 0.00 C ATOM 0 H ILE A 75 -14.007 0.639 5.257 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.859 -0.082 3.074 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.549 1.538 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.119 2.005 4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.421 1.501 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.436 3.593 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.619 2.266 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.697 2.707 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.928 3.853 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.959 3.698 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.668 4.211 3.360 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.873 -1.100 3.745 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.833 -2.058 3.387 1.00 0.00 C ATOM 1232 C ILE A 76 -12.356 -3.488 3.463 1.00 0.00 C ATOM 1233 O ILE A 76 -13.081 -3.845 4.391 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.608 -1.927 4.313 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.137 -0.473 4.376 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.479 -2.834 3.842 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.271 -0.173 5.580 1.00 0.00 C ATOM 0 H ILE A 76 -12.791 -0.721 4.689 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.534 -1.834 2.363 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.902 -2.238 5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.579 -0.240 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.008 0.183 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.624 -2.727 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.817 -3.870 3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.187 -2.555 2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.973 0.875 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.833 -0.374 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.382 -0.804 5.555 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.978 -4.305 2.485 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.404 -5.698 2.451 1.00 0.00 C ATOM 1251 C ALA A 77 -11.220 -6.636 2.633 1.00 0.00 C ATOM 1252 O ALA A 77 -10.066 -6.234 2.480 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.117 -6.013 1.147 1.00 0.00 C ATOM 0 H ALA A 77 -11.379 -4.027 1.708 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.098 -5.851 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.426 -7.058 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.995 -5.375 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.442 -5.832 0.310 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.494 -7.906 2.959 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.449 -8.914 3.159 1.00 0.00 C ATOM 1261 C PRO A 78 -9.673 -9.200 1.878 1.00 0.00 C ATOM 1262 O PRO A 78 -10.191 -9.021 0.776 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.225 -10.158 3.598 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.618 -9.943 3.116 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.845 -8.461 3.157 1.00 0.00 C ATOM 0 HA PRO A 78 -9.703 -8.586 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.795 -11.062 3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.198 -10.277 4.681 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.745 -10.329 2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.335 -10.465 3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.532 -8.137 2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.274 -8.146 4.108 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.428 -9.649 2.027 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.591 -9.963 0.870 1.00 0.00 C ATOM 1275 C CYS A 79 -8.289 -10.968 -0.045 1.00 0.00 C ATOM 1276 O CYS A 79 -9.034 -11.829 0.420 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.232 -10.504 1.316 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.951 -10.432 0.016 1.00 0.00 S ATOM 0 H CYS A 79 -7.979 -9.803 2.930 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.428 -9.042 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.891 -9.936 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.351 -11.538 1.640 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.226 -9.366 0.180 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.055 -10.839 -1.347 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.678 -11.724 -2.328 1.00 0.00 C ATOM 1285 C LYS A 80 -7.793 -12.924 -2.660 1.00 0.00 C ATOM 1286 O LYS A 80 -8.296 -13.999 -2.988 1.00 0.00 O ATOM 1287 CB LYS A 80 -8.997 -10.948 -3.607 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.830 -10.125 -4.126 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.082 -9.630 -5.540 1.00 0.00 C ATOM 1290 CE LYS A 80 -7.889 -10.741 -6.560 1.00 0.00 C ATOM 1291 NZ LYS A 80 -6.450 -10.973 -6.864 1.00 0.00 N ATOM 0 H LYS A 80 -7.439 -10.131 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.600 -12.103 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.308 -11.651 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.842 -10.286 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.662 -9.274 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.922 -10.727 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.096 -9.238 -5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.405 -8.806 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.333 -11.662 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.417 -10.486 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.262 -10.731 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.864 -10.377 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.218 -11.974 -6.701 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.479 -12.741 -2.585 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.547 -13.823 -2.894 1.00 0.00 C ATOM 1307 C VAL A 81 -5.257 -14.697 -1.675 1.00 0.00 C ATOM 1308 O VAL A 81 -4.328 -15.504 -1.692 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.214 -13.283 -3.448 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.444 -12.502 -4.734 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.509 -12.426 -2.408 1.00 0.00 C ATOM 0 H VAL A 81 -6.037 -11.862 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.035 -14.431 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.569 -14.131 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.491 -12.129 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.897 -13.155 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.109 -11.662 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.570 -12.054 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.146 -11.583 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.305 -13.025 -1.521 1.00 0.00 H new