USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 418 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 40 CYS SG : rot -147:sc= 1.15 USER MOD Set 1.2: A 43 CYS SG : rot -90:sc= -1.73 USER MOD Set 1.3: A 70 CYS SG : rot -82:sc= 1.59 USER MOD Set 1.4: A 73 CYS SG : rot -30:sc= -1.01 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0.137 USER MOD Set 2.2: A 34 THR OG1 : rot -40:sc= 0.112 USER MOD Set 3.1: A 24 CYS SG : rot -150:sc= -1.36 USER MOD Set 3.2: A 27 CYS SG : rot -97:sc= -0.741 USER MOD Set 3.3: A 29 CYS SG : rot -99:sc= -1.31! USER MOD Set 3.4: A 48 CYS SG : rot -144:sc= 0.256 USER MOD Set 3.5: A 51 CYS SG : rot -139:sc= 0.985 USER MOD Single : A 25 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-0.57) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -23.1! C(o=-23!,f=-33!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -84:sc= 0.558 USER MOD Single : A 54 HIS : no HD1:sc= -0.592 K(o=-0.59,f=0.16) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 295 N ALA A 21 2.346 -12.135 -13.142 1.00 0.00 N ATOM 296 CA ALA A 21 3.399 -12.481 -12.194 1.00 0.00 C ATOM 297 C ALA A 21 3.374 -13.972 -11.871 1.00 0.00 C ATOM 298 O ALA A 21 2.912 -14.382 -10.807 1.00 0.00 O ATOM 299 CB ALA A 21 3.253 -11.664 -10.918 1.00 0.00 C ATOM 0 HA ALA A 21 4.359 -12.247 -12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.046 -11.934 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.324 -10.603 -11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.284 -11.870 -10.463 1.00 0.00 H new ATOM 305 N PRO A 22 3.874 -14.804 -12.798 1.00 0.00 N ATOM 306 CA PRO A 22 3.914 -16.259 -12.620 1.00 0.00 C ATOM 307 C PRO A 22 4.977 -16.698 -11.620 1.00 0.00 C ATOM 308 O PRO A 22 4.969 -17.829 -11.137 1.00 0.00 O ATOM 309 CB PRO A 22 4.260 -16.771 -14.017 1.00 0.00 C ATOM 310 CG PRO A 22 5.020 -15.658 -14.650 1.00 0.00 C ATOM 311 CD PRO A 22 4.444 -14.386 -14.091 1.00 0.00 C ATOM 0 HA PRO A 22 2.975 -16.645 -12.223 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.858 -17.681 -13.968 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.361 -17.010 -14.585 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.084 -15.736 -14.425 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.921 -15.686 -15.735 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.210 -13.621 -13.963 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.682 -13.968 -14.749 1.00 0.00 H new ATOM 319 N ALA A 23 5.881 -15.780 -11.314 1.00 0.00 N ATOM 320 CA ALA A 23 6.956 -16.041 -10.364 1.00 0.00 C ATOM 321 C ALA A 23 7.097 -14.877 -9.391 1.00 0.00 C ATOM 322 O ALA A 23 6.699 -13.754 -9.700 1.00 0.00 O ATOM 323 CB ALA A 23 8.266 -16.281 -11.098 1.00 0.00 C ATOM 0 H ALA A 23 5.893 -14.841 -11.712 1.00 0.00 H new ATOM 0 HA ALA A 23 6.708 -16.939 -9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.058 -16.474 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.160 -17.141 -11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.520 -15.400 -11.687 1.00 0.00 H new ATOM 329 N CYS A 24 7.644 -15.144 -8.211 1.00 0.00 N ATOM 330 CA CYS A 24 7.811 -14.111 -7.197 1.00 0.00 C ATOM 331 C CYS A 24 8.721 -12.993 -7.687 1.00 0.00 C ATOM 332 O CYS A 24 9.856 -13.231 -8.097 1.00 0.00 O ATOM 333 CB CYS A 24 8.375 -14.717 -5.915 1.00 0.00 C ATOM 334 SG CYS A 24 8.076 -13.718 -4.442 1.00 0.00 S ATOM 0 H CYS A 24 7.979 -16.066 -7.933 1.00 0.00 H new ATOM 0 HA CYS A 24 6.830 -13.683 -6.993 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.937 -15.704 -5.768 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.449 -14.859 -6.034 1.00 0.00 H new ATOM 0 HG CYS A 24 9.040 -13.902 -3.590 1.00 0.00 H new ATOM 340 N ASN A 25 8.208 -11.772 -7.625 1.00 0.00 N ATOM 341 CA ASN A 25 8.953 -10.593 -8.044 1.00 0.00 C ATOM 342 C ASN A 25 10.213 -10.406 -7.200 1.00 0.00 C ATOM 343 O ASN A 25 11.176 -9.779 -7.640 1.00 0.00 O ATOM 344 CB ASN A 25 8.063 -9.352 -7.939 1.00 0.00 C ATOM 345 CG ASN A 25 6.950 -9.356 -8.968 1.00 0.00 C ATOM 346 OD1 ASN A 25 5.804 -9.687 -8.661 1.00 0.00 O ATOM 347 ND2 ASN A 25 7.284 -8.985 -10.197 1.00 0.00 N ATOM 0 H ASN A 25 7.268 -11.571 -7.284 1.00 0.00 H new ATOM 0 HA ASN A 25 9.259 -10.734 -9.081 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.631 -9.300 -6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.673 -8.458 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.578 -8.966 -10.933 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.246 -8.719 -10.406 1.00 0.00 H new ATOM 354 N GLY A 26 10.182 -10.920 -5.974 1.00 0.00 N ATOM 355 CA GLY A 26 11.313 -10.762 -5.076 1.00 0.00 C ATOM 356 C GLY A 26 12.380 -11.838 -5.202 1.00 0.00 C ATOM 357 O GLY A 26 13.554 -11.523 -5.394 1.00 0.00 O ATOM 0 H GLY A 26 9.396 -11.442 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.772 -9.791 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.946 -10.752 -4.050 1.00 0.00 H new ATOM 361 N CYS A 27 11.994 -13.102 -5.055 1.00 0.00 N ATOM 362 CA CYS A 27 12.962 -14.199 -5.118 1.00 0.00 C ATOM 363 C CYS A 27 12.905 -14.966 -6.437 1.00 0.00 C ATOM 364 O CYS A 27 13.692 -15.888 -6.651 1.00 0.00 O ATOM 365 CB CYS A 27 12.747 -15.163 -3.950 1.00 0.00 C ATOM 366 SG CYS A 27 11.177 -16.056 -4.009 1.00 0.00 S ATOM 0 H CYS A 27 11.030 -13.393 -4.893 1.00 0.00 H new ATOM 0 HA CYS A 27 13.951 -13.747 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.563 -15.885 -3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.799 -14.603 -3.016 1.00 0.00 H new ATOM 0 HG CYS A 27 10.308 -15.457 -3.250 1.00 0.00 H new ATOM 372 N GLY A 28 11.998 -14.585 -7.324 1.00 0.00 N ATOM 373 CA GLY A 28 11.905 -15.258 -8.608 1.00 0.00 C ATOM 374 C GLY A 28 11.356 -16.670 -8.507 1.00 0.00 C ATOM 375 O GLY A 28 11.350 -17.403 -9.496 1.00 0.00 O ATOM 0 H GLY A 28 11.329 -13.829 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.267 -14.674 -9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.894 -15.292 -9.065 1.00 0.00 H new ATOM 379 N CYS A 29 10.888 -17.058 -7.324 1.00 0.00 N ATOM 380 CA CYS A 29 10.337 -18.398 -7.141 1.00 0.00 C ATOM 381 C CYS A 29 9.010 -18.526 -7.880 1.00 0.00 C ATOM 382 O CYS A 29 8.242 -17.569 -7.965 1.00 0.00 O ATOM 383 CB CYS A 29 10.155 -18.722 -5.658 1.00 0.00 C ATOM 384 SG CYS A 29 8.689 -17.980 -4.908 1.00 0.00 S ATOM 0 H CYS A 29 10.878 -16.473 -6.488 1.00 0.00 H new ATOM 0 HA CYS A 29 11.044 -19.116 -7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.101 -19.804 -5.539 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.037 -18.385 -5.114 1.00 0.00 H new ATOM 0 HG CYS A 29 9.030 -16.907 -4.257 1.00 0.00 H new ATOM 390 N VAL A 30 8.760 -19.705 -8.438 1.00 0.00 N ATOM 391 CA VAL A 30 7.537 -19.940 -9.197 1.00 0.00 C ATOM 392 C VAL A 30 6.360 -20.287 -8.296 1.00 0.00 C ATOM 393 O VAL A 30 6.498 -21.052 -7.341 1.00 0.00 O ATOM 394 CB VAL A 30 7.707 -21.075 -10.220 1.00 0.00 C ATOM 395 CG1 VAL A 30 6.851 -20.814 -11.450 1.00 0.00 C ATOM 396 CG2 VAL A 30 9.171 -21.249 -10.598 1.00 0.00 C ATOM 0 H VAL A 30 9.384 -20.510 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 30 7.332 -19.004 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 30 7.370 -22.005 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.983 -21.627 -12.164 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.803 -20.754 -11.158 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.153 -19.874 -11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.266 -22.058 -11.323 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.546 -20.324 -11.035 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.751 -21.490 -9.707 1.00 0.00 H new ATOM 406 N PHE A 31 5.201 -19.734 -8.618 1.00 0.00 N ATOM 407 CA PHE A 31 3.995 -20.003 -7.847 1.00 0.00 C ATOM 408 C PHE A 31 3.365 -21.314 -8.294 1.00 0.00 C ATOM 409 O PHE A 31 3.217 -21.583 -9.486 1.00 0.00 O ATOM 410 CB PHE A 31 2.987 -18.863 -7.997 1.00 0.00 C ATOM 411 CG PHE A 31 3.434 -17.575 -7.368 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.253 -17.353 -6.013 1.00 0.00 C ATOM 413 CD2 PHE A 31 4.034 -16.587 -8.132 1.00 0.00 C ATOM 414 CE1 PHE A 31 3.661 -16.169 -5.429 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.445 -15.400 -7.554 1.00 0.00 C ATOM 416 CZ PHE A 31 4.258 -15.191 -6.201 1.00 0.00 C ATOM 0 H PHE A 31 5.069 -19.098 -9.405 1.00 0.00 H new ATOM 0 HA PHE A 31 4.275 -20.081 -6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.799 -18.693 -9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.040 -19.166 -7.550 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.787 -18.115 -5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.182 -16.746 -9.190 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.514 -16.008 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.912 -14.637 -8.159 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.578 -14.264 -5.748 1.00 0.00 H new ATOM 426 N THR A 32 2.997 -22.120 -7.311 1.00 0.00 N ATOM 427 CA THR A 32 2.376 -23.411 -7.563 1.00 0.00 C ATOM 428 C THR A 32 1.066 -23.538 -6.797 1.00 0.00 C ATOM 429 O THR A 32 0.754 -22.717 -5.935 1.00 0.00 O ATOM 430 CB THR A 32 3.327 -24.548 -7.181 1.00 0.00 C ATOM 431 OG1 THR A 32 3.437 -24.662 -5.774 1.00 0.00 O ATOM 432 CG2 THR A 32 4.723 -24.371 -7.739 1.00 0.00 C ATOM 0 H THR A 32 3.119 -21.900 -6.322 1.00 0.00 H new ATOM 0 HA THR A 32 2.160 -23.482 -8.629 1.00 0.00 H new ATOM 0 HB THR A 32 2.890 -25.448 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.048 -25.395 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.347 -25.210 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.678 -24.332 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.151 -23.443 -7.360 1.00 0.00 H new ATOM 440 N THR A 33 0.304 -24.571 -7.121 1.00 0.00 N ATOM 441 CA THR A 33 -0.976 -24.810 -6.470 1.00 0.00 C ATOM 442 C THR A 33 -0.875 -24.634 -4.958 1.00 0.00 C ATOM 443 O THR A 33 -1.794 -24.113 -4.328 1.00 0.00 O ATOM 444 CB THR A 33 -1.476 -26.218 -6.793 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.528 -26.422 -8.194 1.00 0.00 O ATOM 446 CG2 THR A 33 -2.855 -26.503 -6.238 1.00 0.00 C ATOM 0 H THR A 33 0.550 -25.259 -7.833 1.00 0.00 H new ATOM 0 HA THR A 33 -1.685 -24.075 -6.851 1.00 0.00 H new ATOM 0 HB THR A 33 -0.763 -26.894 -6.321 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.849 -27.329 -8.381 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.151 -27.518 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.839 -26.401 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.570 -25.796 -6.659 1.00 0.00 H new ATOM 454 N THR A 34 0.232 -25.078 -4.371 1.00 0.00 N ATOM 455 CA THR A 34 0.405 -24.967 -2.926 1.00 0.00 C ATOM 456 C THR A 34 0.806 -23.555 -2.501 1.00 0.00 C ATOM 457 O THR A 34 0.521 -23.147 -1.376 1.00 0.00 O ATOM 458 CB THR A 34 1.437 -25.978 -2.430 1.00 0.00 C ATOM 459 OG1 THR A 34 2.730 -25.654 -2.910 1.00 0.00 O ATOM 460 CG2 THR A 34 1.133 -27.399 -2.851 1.00 0.00 C ATOM 0 H THR A 34 1.012 -25.512 -4.864 1.00 0.00 H new ATOM 0 HA THR A 34 -0.560 -25.186 -2.470 1.00 0.00 H new ATOM 0 HB THR A 34 1.395 -25.922 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.668 -25.355 -3.841 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.905 -28.066 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.164 -27.697 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.111 -27.459 -3.939 1.00 0.00 H new ATOM 468 N VAL A 35 1.457 -22.802 -3.381 1.00 0.00 N ATOM 469 CA VAL A 35 1.856 -21.445 -3.030 1.00 0.00 C ATOM 470 C VAL A 35 0.840 -20.428 -3.526 1.00 0.00 C ATOM 471 O VAL A 35 0.680 -20.218 -4.728 1.00 0.00 O ATOM 472 CB VAL A 35 3.231 -21.072 -3.608 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.559 -19.619 -3.299 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.316 -21.989 -3.072 1.00 0.00 C ATOM 0 H VAL A 35 1.715 -23.100 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 35 1.911 -21.422 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 35 3.189 -21.198 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.535 -19.370 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.801 -18.973 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.576 -19.472 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.278 -21.702 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.360 -21.905 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.090 -23.019 -3.347 1.00 0.00 H new ATOM 484 N ARG A 36 0.173 -19.794 -2.578 1.00 0.00 N ATOM 485 CA ARG A 36 -0.827 -18.779 -2.881 1.00 0.00 C ATOM 486 C ARG A 36 -0.154 -17.459 -3.237 1.00 0.00 C ATOM 487 O ARG A 36 0.927 -17.150 -2.737 1.00 0.00 O ATOM 488 CB ARG A 36 -1.763 -18.577 -1.688 1.00 0.00 C ATOM 489 CG ARG A 36 -2.565 -19.817 -1.331 1.00 0.00 C ATOM 490 CD ARG A 36 -3.554 -19.538 -0.212 1.00 0.00 C ATOM 491 NE ARG A 36 -4.682 -18.731 -0.671 1.00 0.00 N ATOM 492 CZ ARG A 36 -4.697 -17.402 -0.656 1.00 0.00 C ATOM 493 NH1 ARG A 36 -3.646 -16.726 -0.209 1.00 0.00 N ATOM 494 NH2 ARG A 36 -5.762 -16.743 -1.092 1.00 0.00 N ATOM 0 H ARG A 36 0.306 -19.965 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.412 -19.120 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.175 -18.272 -0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.450 -17.761 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.101 -20.171 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.887 -20.615 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.923 -20.482 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.045 -19.021 0.602 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.507 -19.216 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.822 -17.226 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.662 -15.706 -0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.572 -17.256 -1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.771 -15.723 -1.079 1.00 0.00 H new ATOM 508 N ARG A 37 -0.805 -16.676 -4.084 1.00 0.00 N ATOM 509 CA ARG A 37 -0.262 -15.383 -4.477 1.00 0.00 C ATOM 510 C ARG A 37 -0.731 -14.291 -3.532 1.00 0.00 C ATOM 511 O ARG A 37 -1.869 -14.301 -3.061 1.00 0.00 O ATOM 512 CB ARG A 37 -0.644 -15.031 -5.914 1.00 0.00 C ATOM 513 CG ARG A 37 0.204 -15.733 -6.958 1.00 0.00 C ATOM 514 CD ARG A 37 -0.159 -15.280 -8.362 1.00 0.00 C ATOM 515 NE ARG A 37 0.552 -16.041 -9.382 1.00 0.00 N ATOM 516 CZ ARG A 37 0.275 -17.307 -9.676 1.00 0.00 C ATOM 517 NH1 ARG A 37 -0.701 -17.937 -9.039 1.00 0.00 N ATOM 518 NH2 ARG A 37 0.975 -17.940 -10.608 1.00 0.00 N ATOM 0 H ARG A 37 -1.702 -16.910 -4.510 1.00 0.00 H new ATOM 0 HA ARG A 37 0.824 -15.455 -4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.691 -15.288 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.555 -13.953 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.258 -15.530 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.067 -16.811 -6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.233 -15.389 -8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.073 -14.221 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 37 1.301 -15.578 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.240 -17.450 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.913 -18.909 -9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.726 -17.455 -11.099 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.762 -18.912 -10.834 1.00 0.00 H new ATOM 532 N HIS A 38 0.158 -13.349 -3.265 1.00 0.00 N ATOM 533 CA HIS A 38 -0.149 -12.239 -2.382 1.00 0.00 C ATOM 534 C HIS A 38 0.419 -10.945 -2.941 1.00 0.00 C ATOM 535 O HIS A 38 1.260 -10.968 -3.836 1.00 0.00 O ATOM 536 CB HIS A 38 0.413 -12.495 -0.982 1.00 0.00 C ATOM 537 CG HIS A 38 -0.136 -13.725 -0.328 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.378 -13.769 0.270 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.398 -14.961 -0.174 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.583 -14.978 0.766 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.522 -15.719 0.508 1.00 0.00 N ATOM 0 H HIS A 38 1.102 -13.332 -3.650 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.233 -12.147 -2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.498 -12.582 -1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.199 -11.632 -0.351 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.366 -15.289 -0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.468 -15.303 1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.404 -16.697 0.772 1.00 0.00 H new ATOM 550 N HIS A 39 -0.045 -9.820 -2.422 1.00 0.00 N ATOM 551 CA HIS A 39 0.423 -8.526 -2.899 1.00 0.00 C ATOM 552 C HIS A 39 1.051 -7.723 -1.772 1.00 0.00 C ATOM 553 O HIS A 39 0.570 -7.746 -0.638 1.00 0.00 O ATOM 554 CB HIS A 39 -0.733 -7.738 -3.518 1.00 0.00 C ATOM 555 CG HIS A 39 -1.384 -8.433 -4.675 1.00 0.00 C ATOM 556 ND1 HIS A 39 -2.520 -9.202 -4.546 1.00 0.00 N ATOM 557 CD2 HIS A 39 -1.055 -8.467 -5.989 1.00 0.00 C ATOM 558 CE1 HIS A 39 -2.863 -9.679 -5.729 1.00 0.00 C ATOM 559 NE2 HIS A 39 -1.992 -9.247 -6.622 1.00 0.00 N ATOM 0 H HIS A 39 -0.740 -9.774 -1.676 1.00 0.00 H new ATOM 0 HA HIS A 39 1.183 -8.703 -3.660 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.483 -7.548 -2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.363 -6.768 -3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.213 -7.973 -6.452 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.712 -10.315 -5.931 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.012 -9.458 -7.620 1.00 0.00 H new ATOM 568 N CYS A 40 2.104 -6.983 -2.096 1.00 0.00 N ATOM 569 CA CYS A 40 2.781 -6.130 -1.132 1.00 0.00 C ATOM 570 C CYS A 40 2.135 -4.748 -1.175 1.00 0.00 C ATOM 571 O CYS A 40 1.822 -4.231 -2.248 1.00 0.00 O ATOM 572 CB CYS A 40 4.273 -6.052 -1.473 1.00 0.00 C ATOM 573 SG CYS A 40 5.190 -4.814 -0.531 1.00 0.00 S ATOM 0 H CYS A 40 2.510 -6.958 -3.031 1.00 0.00 H new ATOM 0 HA CYS A 40 2.688 -6.538 -0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.724 -7.029 -1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.379 -5.834 -2.536 1.00 0.00 H new ATOM 0 HG CYS A 40 6.142 -4.325 -1.269 1.00 0.00 H new ATOM 579 N ARG A 41 1.901 -4.174 0.001 1.00 0.00 N ATOM 580 CA ARG A 41 1.247 -2.872 0.114 1.00 0.00 C ATOM 581 C ARG A 41 2.135 -1.728 -0.368 1.00 0.00 C ATOM 582 O ARG A 41 1.692 -0.582 -0.445 1.00 0.00 O ATOM 583 CB ARG A 41 0.842 -2.625 1.567 1.00 0.00 C ATOM 584 CG ARG A 41 -0.098 -3.680 2.125 1.00 0.00 C ATOM 585 CD ARG A 41 -1.470 -3.600 1.479 1.00 0.00 C ATOM 586 NE ARG A 41 -2.184 -2.384 1.860 1.00 0.00 N ATOM 587 CZ ARG A 41 -3.491 -2.215 1.691 1.00 0.00 C ATOM 588 NH1 ARG A 41 -4.221 -3.180 1.146 1.00 0.00 N ATOM 589 NH2 ARG A 41 -4.070 -1.083 2.066 1.00 0.00 N ATOM 0 H ARG A 41 2.156 -4.592 0.896 1.00 0.00 H new ATOM 0 HA ARG A 41 0.367 -2.895 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.740 -2.588 2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.363 -1.648 1.641 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.326 -4.671 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.194 -3.550 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.363 -3.633 0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.058 -4.471 1.768 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.650 -1.623 2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.779 -4.052 0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.224 -3.049 1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.512 -0.339 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.074 -0.956 1.935 1.00 0.00 H new ATOM 603 N ASN A 42 3.384 -2.036 -0.679 1.00 0.00 N ATOM 604 CA ASN A 42 4.324 -1.023 -1.139 1.00 0.00 C ATOM 605 C ASN A 42 4.520 -1.059 -2.652 1.00 0.00 C ATOM 606 O ASN A 42 4.094 -0.147 -3.359 1.00 0.00 O ATOM 607 CB ASN A 42 5.665 -1.197 -0.428 1.00 0.00 C ATOM 608 CG ASN A 42 5.583 -0.830 1.036 1.00 0.00 C ATOM 609 OD1 ASN A 42 5.137 0.259 1.386 1.00 0.00 O ATOM 610 ND2 ASN A 42 6.013 -1.739 1.901 1.00 0.00 N ATOM 0 H ASN A 42 3.771 -2.978 -0.622 1.00 0.00 H new ATOM 0 HA ASN A 42 3.902 -0.049 -0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.995 -2.232 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.417 -0.576 -0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.981 -1.546 2.902 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.376 -2.631 1.565 1.00 0.00 H new ATOM 617 N CYS A 43 5.185 -2.094 -3.145 1.00 0.00 N ATOM 618 CA CYS A 43 5.451 -2.208 -4.575 1.00 0.00 C ATOM 619 C CYS A 43 4.223 -2.673 -5.351 1.00 0.00 C ATOM 620 O CYS A 43 4.084 -2.385 -6.540 1.00 0.00 O ATOM 621 CB CYS A 43 6.620 -3.160 -4.826 1.00 0.00 C ATOM 622 SG CYS A 43 6.318 -4.860 -4.292 1.00 0.00 S ATOM 0 H CYS A 43 5.549 -2.863 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 43 5.712 -1.213 -4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.851 -3.161 -5.891 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.501 -2.780 -4.309 1.00 0.00 H new ATOM 0 HG CYS A 43 6.699 -5.001 -3.057 1.00 0.00 H new ATOM 628 N GLY A 44 3.328 -3.379 -4.671 1.00 0.00 N ATOM 629 CA GLY A 44 2.118 -3.851 -5.319 1.00 0.00 C ATOM 630 C GLY A 44 2.363 -5.029 -6.240 1.00 0.00 C ATOM 631 O GLY A 44 1.593 -5.272 -7.169 1.00 0.00 O ATOM 0 H GLY A 44 3.417 -3.633 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.392 -4.136 -4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.676 -3.035 -5.891 1.00 0.00 H new ATOM 635 N TYR A 45 3.436 -5.765 -5.980 1.00 0.00 N ATOM 636 CA TYR A 45 3.782 -6.929 -6.787 1.00 0.00 C ATOM 637 C TYR A 45 3.395 -8.216 -6.068 1.00 0.00 C ATOM 638 O TYR A 45 3.167 -8.218 -4.861 1.00 0.00 O ATOM 639 CB TYR A 45 5.274 -6.944 -7.113 1.00 0.00 C ATOM 640 CG TYR A 45 5.764 -5.688 -7.799 1.00 0.00 C ATOM 641 CD1 TYR A 45 5.036 -5.104 -8.830 1.00 0.00 C ATOM 642 CD2 TYR A 45 6.957 -5.089 -7.418 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.484 -3.959 -9.460 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.413 -3.944 -8.044 1.00 0.00 C ATOM 645 CZ TYR A 45 6.673 -3.382 -9.063 1.00 0.00 C ATOM 646 OH TYR A 45 7.124 -2.241 -9.688 1.00 0.00 O ATOM 0 H TYR A 45 4.083 -5.576 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 45 3.223 -6.865 -7.721 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.836 -7.085 -6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.488 -7.802 -7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.105 -5.553 -9.143 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.539 -5.525 -6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.907 -3.518 -10.259 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.344 -3.492 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 45 7.975 -1.964 -9.288 1.00 0.00 H new ATOM 656 N VAL A 46 3.317 -9.306 -6.822 1.00 0.00 N ATOM 657 CA VAL A 46 2.950 -10.590 -6.238 1.00 0.00 C ATOM 658 C VAL A 46 4.123 -11.211 -5.487 1.00 0.00 C ATOM 659 O VAL A 46 5.224 -11.336 -6.025 1.00 0.00 O ATOM 660 CB VAL A 46 2.441 -11.594 -7.289 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.046 -12.905 -6.620 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.274 -11.008 -8.067 1.00 0.00 C ATOM 0 H VAL A 46 3.500 -9.328 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 46 2.137 -10.380 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 46 3.247 -11.799 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.688 -13.605 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.912 -13.330 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.255 -12.719 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.928 -11.732 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.461 -10.773 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.595 -10.098 -8.574 1.00 0.00 H new ATOM 672 N LEU A 47 3.874 -11.613 -4.246 1.00 0.00 N ATOM 673 CA LEU A 47 4.896 -12.239 -3.415 1.00 0.00 C ATOM 674 C LEU A 47 4.348 -13.510 -2.779 1.00 0.00 C ATOM 675 O LEU A 47 3.220 -13.523 -2.283 1.00 0.00 O ATOM 676 CB LEU A 47 5.351 -11.299 -2.289 1.00 0.00 C ATOM 677 CG LEU A 47 6.147 -10.059 -2.701 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.539 -10.440 -3.168 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.416 -9.271 -3.772 1.00 0.00 C ATOM 0 H LEU A 47 2.967 -11.516 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 47 5.744 -12.469 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.466 -10.969 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.958 -11.875 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 47 6.246 -9.420 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.085 -9.541 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.069 -10.944 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.465 -11.109 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.005 -8.395 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.271 -9.899 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.446 -8.951 -3.390 1.00 0.00 H new ATOM 691 N CYS A 48 5.151 -14.565 -2.759 1.00 0.00 N ATOM 692 CA CYS A 48 4.733 -15.812 -2.139 1.00 0.00 C ATOM 693 C CYS A 48 4.779 -15.647 -0.627 1.00 0.00 C ATOM 694 O CYS A 48 5.208 -14.603 -0.136 1.00 0.00 O ATOM 695 CB CYS A 48 5.632 -16.970 -2.581 1.00 0.00 C ATOM 696 SG CYS A 48 7.238 -17.021 -1.753 1.00 0.00 S ATOM 0 H CYS A 48 6.088 -14.582 -3.162 1.00 0.00 H new ATOM 0 HA CYS A 48 3.716 -16.048 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.111 -17.910 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.793 -16.900 -3.657 1.00 0.00 H new ATOM 0 HG CYS A 48 8.146 -17.424 -2.592 1.00 0.00 H new ATOM 702 N GLY A 49 4.339 -16.649 0.124 1.00 0.00 N ATOM 703 CA GLY A 49 4.361 -16.522 1.567 1.00 0.00 C ATOM 704 C GLY A 49 5.735 -16.144 2.084 1.00 0.00 C ATOM 705 O GLY A 49 5.881 -15.171 2.821 1.00 0.00 O ATOM 0 H GLY A 49 3.974 -17.532 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.638 -15.767 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.051 -17.464 2.018 1.00 0.00 H new ATOM 709 N ASP A 50 6.739 -16.920 1.686 1.00 0.00 N ATOM 710 CA ASP A 50 8.121 -16.685 2.104 1.00 0.00 C ATOM 711 C ASP A 50 8.597 -15.271 1.792 1.00 0.00 C ATOM 712 O ASP A 50 9.380 -14.688 2.541 1.00 0.00 O ATOM 713 CB ASP A 50 9.060 -17.696 1.449 1.00 0.00 C ATOM 714 CG ASP A 50 8.981 -19.067 2.090 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.466 -19.164 3.224 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.433 -20.045 1.457 1.00 0.00 O ATOM 0 H ASP A 50 6.621 -17.724 1.069 1.00 0.00 H new ATOM 0 HA ASP A 50 8.142 -16.809 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.816 -17.780 0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.084 -17.328 1.512 1.00 0.00 H new ATOM 721 N CYS A 51 8.126 -14.735 0.674 1.00 0.00 N ATOM 722 CA CYS A 51 8.507 -13.395 0.248 1.00 0.00 C ATOM 723 C CYS A 51 7.571 -12.341 0.823 1.00 0.00 C ATOM 724 O CYS A 51 7.787 -11.144 0.640 1.00 0.00 O ATOM 725 CB CYS A 51 8.530 -13.311 -1.278 1.00 0.00 C ATOM 726 SG CYS A 51 10.138 -13.710 -2.000 1.00 0.00 S ATOM 0 H CYS A 51 7.478 -15.209 0.045 1.00 0.00 H new ATOM 0 HA CYS A 51 9.508 -13.194 0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.781 -13.991 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.244 -12.304 -1.583 1.00 0.00 H new ATOM 0 HG CYS A 51 10.392 -12.889 -2.975 1.00 0.00 H new ATOM 732 N SER A 52 6.544 -12.788 1.534 1.00 0.00 N ATOM 733 CA SER A 52 5.589 -11.884 2.157 1.00 0.00 C ATOM 734 C SER A 52 5.381 -12.285 3.613 1.00 0.00 C ATOM 735 O SER A 52 4.324 -12.035 4.192 1.00 0.00 O ATOM 736 CB SER A 52 4.259 -11.910 1.400 1.00 0.00 C ATOM 737 OG SER A 52 3.540 -13.101 1.667 1.00 0.00 O ATOM 0 H SER A 52 6.351 -13.777 1.694 1.00 0.00 H new ATOM 0 HA SER A 52 5.982 -10.868 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.658 -11.047 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.445 -11.827 0.329 1.00 0.00 H new ATOM 0 HG SER A 52 3.858 -13.815 1.075 1.00 0.00 H new ATOM 743 N ARG A 53 6.410 -12.897 4.200 1.00 0.00 N ATOM 744 CA ARG A 53 6.352 -13.320 5.596 1.00 0.00 C ATOM 745 C ARG A 53 6.664 -12.162 6.536 1.00 0.00 C ATOM 746 O ARG A 53 6.335 -12.216 7.721 1.00 0.00 O ATOM 747 CB ARG A 53 7.319 -14.481 5.866 1.00 0.00 C ATOM 748 CG ARG A 53 6.836 -15.826 5.355 1.00 0.00 C ATOM 749 CD ARG A 53 7.723 -16.955 5.851 1.00 0.00 C ATOM 750 NE ARG A 53 7.333 -18.247 5.292 1.00 0.00 N ATOM 751 CZ ARG A 53 6.282 -18.945 5.711 1.00 0.00 C ATOM 752 NH1 ARG A 53 5.521 -18.480 6.693 1.00 0.00 N ATOM 753 NH2 ARG A 53 5.992 -20.112 5.151 1.00 0.00 N ATOM 0 H ARG A 53 7.290 -13.110 3.731 1.00 0.00 H new ATOM 0 HA ARG A 53 5.334 -13.661 5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.280 -14.253 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.491 -14.554 6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.810 -15.995 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.825 -15.821 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.759 -16.744 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.675 -17.002 6.939 1.00 0.00 H new ATOM 0 HE ARG A 53 7.899 -18.636 4.538 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.742 -17.585 7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.715 -19.018 7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.576 -20.475 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.185 -20.646 5.474 1.00 0.00 H new ATOM 767 N HIS A 54 7.303 -11.117 6.017 1.00 0.00 N ATOM 768 CA HIS A 54 7.651 -9.966 6.842 1.00 0.00 C ATOM 769 C HIS A 54 6.449 -9.065 7.066 1.00 0.00 C ATOM 770 O HIS A 54 5.453 -9.141 6.347 1.00 0.00 O ATOM 771 CB HIS A 54 8.766 -9.145 6.194 1.00 0.00 C ATOM 772 CG HIS A 54 10.071 -9.867 6.089 1.00 0.00 C ATOM 773 ND1 HIS A 54 10.829 -10.220 7.186 1.00 0.00 N ATOM 774 CD2 HIS A 54 10.762 -10.294 5.006 1.00 0.00 C ATOM 775 CE1 HIS A 54 11.929 -10.829 6.782 1.00 0.00 C ATOM 776 NE2 HIS A 54 11.912 -10.888 5.463 1.00 0.00 N ATOM 0 H HIS A 54 7.587 -11.044 5.040 1.00 0.00 H new ATOM 0 HA HIS A 54 7.994 -10.354 7.801 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.448 -8.844 5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 54 8.913 -8.232 6.771 1.00 0.00 H new ATOM 0 HD2 HIS A 54 10.464 -10.187 3.974 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.710 -11.213 7.422 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.636 -11.307 4.879 1.00 0.00 H new ATOM 785 N ARG A 55 6.566 -8.197 8.059 1.00 0.00 N ATOM 786 CA ARG A 55 5.507 -7.255 8.376 1.00 0.00 C ATOM 787 C ARG A 55 6.100 -5.892 8.732 1.00 0.00 C ATOM 788 O ARG A 55 7.072 -5.803 9.483 1.00 0.00 O ATOM 789 CB ARG A 55 4.649 -7.788 9.522 1.00 0.00 C ATOM 790 CG ARG A 55 4.006 -9.129 9.215 1.00 0.00 C ATOM 791 CD ARG A 55 3.033 -9.543 10.305 1.00 0.00 C ATOM 792 NE ARG A 55 3.662 -9.573 11.623 1.00 0.00 N ATOM 793 CZ ARG A 55 4.308 -10.629 12.109 1.00 0.00 C ATOM 794 NH1 ARG A 55 4.439 -11.727 11.377 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.831 -10.584 13.327 1.00 0.00 N ATOM 0 H ARG A 55 7.387 -8.126 8.660 1.00 0.00 H new ATOM 0 HA ARG A 55 4.870 -7.134 7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.267 -7.885 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.869 -7.062 9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.482 -9.072 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.780 -9.889 9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.192 -8.850 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.629 -10.529 10.074 1.00 0.00 H new ATOM 0 HE ARG A 55 3.602 -8.736 12.204 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.044 -11.764 10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.935 -12.535 11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.738 -9.739 13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.326 -11.394 13.700 1.00 0.00 H new ATOM 809 N ALA A 56 5.513 -4.841 8.187 1.00 0.00 N ATOM 810 CA ALA A 56 5.993 -3.487 8.449 1.00 0.00 C ATOM 811 C ALA A 56 4.920 -2.446 8.168 1.00 0.00 C ATOM 812 O ALA A 56 4.046 -2.656 7.328 1.00 0.00 O ATOM 813 CB ALA A 56 7.235 -3.201 7.616 1.00 0.00 C ATOM 0 H ALA A 56 4.708 -4.893 7.563 1.00 0.00 H new ATOM 0 HA ALA A 56 6.247 -3.423 9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.584 -2.189 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.018 -3.914 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.993 -3.295 6.557 1.00 0.00 H new ATOM 819 N ALA A 57 5.009 -1.308 8.847 1.00 0.00 N ATOM 820 CA ALA A 57 4.063 -0.223 8.642 1.00 0.00 C ATOM 821 C ALA A 57 4.563 0.670 7.520 1.00 0.00 C ATOM 822 O ALA A 57 5.770 0.773 7.295 1.00 0.00 O ATOM 823 CB ALA A 57 3.881 0.577 9.923 1.00 0.00 C ATOM 0 H ALA A 57 5.728 -1.115 9.544 1.00 0.00 H new ATOM 0 HA ALA A 57 3.093 -0.638 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.170 1.384 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.504 -0.076 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.839 0.997 10.229 1.00 0.00 H new ATOM 829 N ILE A 58 3.648 1.313 6.811 1.00 0.00 N ATOM 830 CA ILE A 58 4.018 2.188 5.712 1.00 0.00 C ATOM 831 C ILE A 58 3.376 3.559 5.885 1.00 0.00 C ATOM 832 O ILE A 58 2.398 3.893 5.216 1.00 0.00 O ATOM 833 CB ILE A 58 3.590 1.575 4.367 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.695 0.049 4.432 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.448 2.120 3.242 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.278 -0.648 3.154 1.00 0.00 C ATOM 0 H ILE A 58 2.644 1.245 6.978 1.00 0.00 H new ATOM 0 HA ILE A 58 5.102 2.303 5.717 1.00 0.00 H new ATOM 0 HB ILE A 58 2.553 1.846 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.724 -0.225 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.075 -0.314 5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.133 1.677 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.336 3.203 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.493 1.872 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.380 -1.726 3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.239 -0.405 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.914 -0.315 2.334 1.00 0.00 H new ATOM 848 N PRO A 59 3.915 4.364 6.815 1.00 0.00 N ATOM 849 CA PRO A 59 3.393 5.700 7.118 1.00 0.00 C ATOM 850 C PRO A 59 3.465 6.667 5.944 1.00 0.00 C ATOM 851 O PRO A 59 2.882 7.750 5.994 1.00 0.00 O ATOM 852 CB PRO A 59 4.265 6.186 8.278 1.00 0.00 C ATOM 853 CG PRO A 59 5.495 5.349 8.215 1.00 0.00 C ATOM 854 CD PRO A 59 5.065 4.019 7.664 1.00 0.00 C ATOM 0 HA PRO A 59 2.331 5.655 7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.503 7.245 8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.754 6.065 9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.248 5.810 7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.941 5.236 9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.861 3.544 7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.786 3.325 8.457 1.00 0.00 H new ATOM 862 N MET A 60 4.139 6.273 4.872 1.00 0.00 N ATOM 863 CA MET A 60 4.219 7.121 3.693 1.00 0.00 C ATOM 864 C MET A 60 3.100 6.733 2.740 1.00 0.00 C ATOM 865 O MET A 60 2.504 7.574 2.066 1.00 0.00 O ATOM 866 CB MET A 60 5.580 6.962 3.011 1.00 0.00 C ATOM 867 CG MET A 60 6.748 7.382 3.890 1.00 0.00 C ATOM 868 SD MET A 60 8.335 7.289 3.038 1.00 0.00 S ATOM 869 CE MET A 60 9.464 7.653 4.380 1.00 0.00 C ATOM 0 H MET A 60 4.632 5.383 4.795 1.00 0.00 H new ATOM 0 HA MET A 60 4.110 8.166 3.983 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.712 5.921 2.717 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.591 7.555 2.096 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.587 8.403 4.237 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.778 6.746 4.774 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.489 7.633 4.009 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.244 8.642 4.783 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.348 6.907 5.166 1.00 0.00 H new ATOM 879 N ARG A 61 2.838 5.434 2.705 1.00 0.00 N ATOM 880 CA ARG A 61 1.806 4.863 1.851 1.00 0.00 C ATOM 881 C ARG A 61 0.454 4.822 2.563 1.00 0.00 C ATOM 882 O ARG A 61 -0.406 4.002 2.242 1.00 0.00 O ATOM 883 CB ARG A 61 2.225 3.463 1.406 1.00 0.00 C ATOM 884 CG ARG A 61 3.562 3.446 0.678 1.00 0.00 C ATOM 885 CD ARG A 61 3.730 2.182 -0.144 1.00 0.00 C ATOM 886 NE ARG A 61 2.890 2.206 -1.336 1.00 0.00 N ATOM 887 CZ ARG A 61 3.072 3.058 -2.341 1.00 0.00 C ATOM 888 NH1 ARG A 61 4.084 3.915 -2.308 1.00 0.00 N ATOM 889 NH2 ARG A 61 2.245 3.051 -3.378 1.00 0.00 N ATOM 0 H ARG A 61 3.336 4.745 3.269 1.00 0.00 H new ATOM 0 HA ARG A 61 1.692 5.499 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.284 2.813 2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.456 3.050 0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.634 4.317 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.373 3.521 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.775 2.072 -0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.476 1.314 0.465 1.00 0.00 H new ATOM 0 HE ARG A 61 2.124 1.535 -1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.722 3.920 -1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.224 4.569 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.468 2.391 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.386 3.705 -4.148 1.00 0.00 H new ATOM 903 N GLY A 62 0.272 5.730 3.517 1.00 0.00 N ATOM 904 CA GLY A 62 -0.981 5.806 4.250 1.00 0.00 C ATOM 905 C GLY A 62 -1.204 4.628 5.180 1.00 0.00 C ATOM 906 O GLY A 62 -2.342 4.324 5.539 1.00 0.00 O ATOM 0 H GLY A 62 0.972 6.417 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.998 6.728 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.806 5.861 3.540 1.00 0.00 H new ATOM 910 N ILE A 63 -0.123 3.970 5.583 1.00 0.00 N ATOM 911 CA ILE A 63 -0.226 2.830 6.485 1.00 0.00 C ATOM 912 C ILE A 63 0.508 3.121 7.795 1.00 0.00 C ATOM 913 O ILE A 63 1.738 3.100 7.844 1.00 0.00 O ATOM 914 CB ILE A 63 0.359 1.561 5.827 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.358 1.283 4.501 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.249 0.364 6.759 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.255 0.155 3.700 1.00 0.00 C ATOM 0 H ILE A 63 0.829 4.205 5.301 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.281 2.659 6.699 1.00 0.00 H new ATOM 0 HB ILE A 63 1.417 1.730 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.402 1.045 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.351 2.191 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.668 -0.516 6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.799 0.567 7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.799 0.183 6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.307 0.018 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.291 0.398 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.223 -0.765 4.284 1.00 0.00 H new ATOM 929 N THR A 64 -0.248 3.403 8.853 1.00 0.00 N ATOM 930 CA THR A 64 0.350 3.711 10.151 1.00 0.00 C ATOM 931 C THR A 64 0.517 2.461 11.006 1.00 0.00 C ATOM 932 O THR A 64 1.341 2.432 11.921 1.00 0.00 O ATOM 933 CB THR A 64 -0.487 4.751 10.893 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.816 4.292 11.074 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.546 6.083 10.180 1.00 0.00 C ATOM 0 H THR A 64 -1.268 3.425 8.839 1.00 0.00 H new ATOM 0 HA THR A 64 1.343 4.121 9.965 1.00 0.00 H new ATOM 0 HB THR A 64 0.009 4.894 11.853 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.335 4.972 11.553 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.155 6.778 10.758 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.462 6.484 10.075 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.987 5.948 9.193 1.00 0.00 H new ATOM 943 N GLU A 65 -0.245 1.422 10.693 1.00 0.00 N ATOM 944 CA GLU A 65 -0.152 0.168 11.426 1.00 0.00 C ATOM 945 C GLU A 65 0.676 -0.819 10.619 1.00 0.00 C ATOM 946 O GLU A 65 0.552 -0.880 9.397 1.00 0.00 O ATOM 947 CB GLU A 65 -1.546 -0.399 11.700 1.00 0.00 C ATOM 948 CG GLU A 65 -2.281 0.316 12.823 1.00 0.00 C ATOM 949 CD GLU A 65 -3.625 -0.312 13.131 1.00 0.00 C ATOM 950 OE1 GLU A 65 -4.586 -0.057 12.374 1.00 0.00 O ATOM 951 OE2 GLU A 65 -3.718 -1.059 14.128 1.00 0.00 O ATOM 0 H GLU A 65 -0.932 1.423 9.939 1.00 0.00 H new ATOM 0 HA GLU A 65 0.332 0.346 12.387 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.141 -0.336 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.457 -1.456 11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.664 0.304 13.721 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.426 1.361 12.550 1.00 0.00 H new ATOM 958 N PRO A 66 1.550 -1.590 11.275 1.00 0.00 N ATOM 959 CA PRO A 66 2.404 -2.546 10.574 1.00 0.00 C ATOM 960 C PRO A 66 1.599 -3.477 9.674 1.00 0.00 C ATOM 961 O PRO A 66 0.684 -4.165 10.130 1.00 0.00 O ATOM 962 CB PRO A 66 3.089 -3.318 11.704 1.00 0.00 C ATOM 963 CG PRO A 66 3.045 -2.398 12.879 1.00 0.00 C ATOM 964 CD PRO A 66 1.792 -1.577 12.727 1.00 0.00 C ATOM 0 HA PRO A 66 3.112 -2.056 9.906 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.570 -4.253 11.915 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.115 -3.575 11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.030 -2.960 13.813 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.928 -1.759 12.906 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.958 -2.012 13.277 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.928 -0.563 13.103 1.00 0.00 H new ATOM 972 N GLU A 67 1.943 -3.484 8.389 1.00 0.00 N ATOM 973 CA GLU A 67 1.259 -4.313 7.406 1.00 0.00 C ATOM 974 C GLU A 67 2.246 -5.201 6.653 1.00 0.00 C ATOM 975 O GLU A 67 3.460 -5.018 6.743 1.00 0.00 O ATOM 976 CB GLU A 67 0.483 -3.439 6.416 1.00 0.00 C ATOM 977 CG GLU A 67 -0.612 -2.607 7.061 1.00 0.00 C ATOM 978 CD GLU A 67 -1.475 -1.891 6.040 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.141 -1.945 4.837 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.486 -1.276 6.442 1.00 0.00 O ATOM 0 H GLU A 67 2.699 -2.918 8.003 1.00 0.00 H new ATOM 0 HA GLU A 67 0.558 -4.954 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.181 -2.773 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.039 -4.078 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.241 -3.252 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.161 -1.873 7.729 1.00 0.00 H new ATOM 987 N ARG A 68 1.713 -6.176 5.925 1.00 0.00 N ATOM 988 CA ARG A 68 2.532 -7.117 5.167 1.00 0.00 C ATOM 989 C ARG A 68 3.160 -6.473 3.930 1.00 0.00 C ATOM 990 O ARG A 68 2.530 -5.688 3.223 1.00 0.00 O ATOM 991 CB ARG A 68 1.691 -8.325 4.763 1.00 0.00 C ATOM 992 CG ARG A 68 0.470 -7.974 3.928 1.00 0.00 C ATOM 993 CD ARG A 68 -0.453 -9.170 3.768 1.00 0.00 C ATOM 994 NE ARG A 68 -1.223 -9.434 4.980 1.00 0.00 N ATOM 995 CZ ARG A 68 -1.811 -10.597 5.239 1.00 0.00 C ATOM 996 NH1 ARG A 68 -1.705 -11.600 4.379 1.00 0.00 N ATOM 997 NH2 ARG A 68 -2.502 -10.759 6.360 1.00 0.00 N ATOM 0 H ARG A 68 0.709 -6.337 5.843 1.00 0.00 H new ATOM 0 HA ARG A 68 3.350 -7.437 5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.316 -9.019 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.366 -8.846 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.072 -7.154 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.787 -7.623 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.135 -8.992 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.136 -10.051 3.514 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.315 -8.684 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.172 -11.479 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.157 -12.493 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.583 -9.990 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.953 -11.653 6.557 1.00 0.00 H new ATOM 1011 N VAL A 69 4.412 -6.846 3.687 1.00 0.00 N ATOM 1012 CA VAL A 69 5.183 -6.361 2.544 1.00 0.00 C ATOM 1013 C VAL A 69 6.131 -7.446 2.055 1.00 0.00 C ATOM 1014 O VAL A 69 6.195 -8.532 2.631 1.00 0.00 O ATOM 1015 CB VAL A 69 6.016 -5.118 2.900 1.00 0.00 C ATOM 1016 CG1 VAL A 69 5.112 -3.945 3.241 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.975 -5.430 4.044 1.00 0.00 C ATOM 0 H VAL A 69 4.925 -7.498 4.281 1.00 0.00 H new ATOM 0 HA VAL A 69 4.467 -6.095 1.766 1.00 0.00 H new ATOM 0 HB VAL A 69 6.610 -4.836 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.721 -3.076 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.480 -3.712 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.485 -4.205 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.557 -4.540 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.407 -5.739 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.648 -6.234 3.746 1.00 0.00 H new ATOM 1027 N CYS A 70 6.890 -7.139 1.011 1.00 0.00 N ATOM 1028 CA CYS A 70 7.860 -8.076 0.476 1.00 0.00 C ATOM 1029 C CYS A 70 9.216 -7.813 1.114 1.00 0.00 C ATOM 1030 O CYS A 70 9.299 -7.151 2.148 1.00 0.00 O ATOM 1031 CB CYS A 70 7.944 -7.971 -1.048 1.00 0.00 C ATOM 1032 SG CYS A 70 9.038 -6.672 -1.654 1.00 0.00 S ATOM 0 H CYS A 70 6.850 -6.246 0.520 1.00 0.00 H new ATOM 0 HA CYS A 70 7.542 -9.091 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.282 -8.927 -1.446 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.943 -7.798 -1.442 1.00 0.00 H new ATOM 0 HG CYS A 70 8.410 -5.534 -1.640 1.00 0.00 H new ATOM 1038 N ASP A 71 10.274 -8.335 0.518 1.00 0.00 N ATOM 1039 CA ASP A 71 11.611 -8.143 1.074 1.00 0.00 C ATOM 1040 C ASP A 71 12.211 -6.792 0.678 1.00 0.00 C ATOM 1041 O ASP A 71 12.818 -6.116 1.511 1.00 0.00 O ATOM 1042 CB ASP A 71 12.539 -9.282 0.652 1.00 0.00 C ATOM 1043 CG ASP A 71 12.087 -10.627 1.189 1.00 0.00 C ATOM 1044 OD1 ASP A 71 11.144 -10.654 2.005 1.00 0.00 O ATOM 1045 OD2 ASP A 71 12.673 -11.655 0.786 1.00 0.00 O ATOM 0 H ASP A 71 10.240 -8.888 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 71 11.512 -8.150 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.585 -9.325 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.549 -9.074 1.005 1.00 0.00 H new ATOM 1050 N ALA A 72 12.057 -6.401 -0.581 1.00 0.00 N ATOM 1051 CA ALA A 72 12.608 -5.130 -1.050 1.00 0.00 C ATOM 1052 C ALA A 72 11.893 -3.932 -0.431 1.00 0.00 C ATOM 1053 O ALA A 72 12.534 -2.985 0.027 1.00 0.00 O ATOM 1054 CB ALA A 72 12.546 -5.053 -2.567 1.00 0.00 C ATOM 0 H ALA A 72 11.560 -6.938 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 72 13.649 -5.091 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.960 -4.101 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.125 -5.871 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.509 -5.132 -2.893 1.00 0.00 H new ATOM 1060 N CYS A 73 10.568 -3.977 -0.415 1.00 0.00 N ATOM 1061 CA CYS A 73 9.772 -2.896 0.152 1.00 0.00 C ATOM 1062 C CYS A 73 10.047 -2.761 1.640 1.00 0.00 C ATOM 1063 O CYS A 73 10.172 -1.651 2.159 1.00 0.00 O ATOM 1064 CB CYS A 73 8.285 -3.152 -0.085 1.00 0.00 C ATOM 1065 SG CYS A 73 7.866 -3.418 -1.822 1.00 0.00 S ATOM 0 H CYS A 73 10.020 -4.752 -0.789 1.00 0.00 H new ATOM 0 HA CYS A 73 10.051 -1.965 -0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.978 -4.024 0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.714 -2.304 0.292 1.00 0.00 H new ATOM 0 HG CYS A 73 8.691 -2.752 -2.574 1.00 0.00 H new ATOM 1071 N TYR A 74 10.167 -3.889 2.320 1.00 0.00 N ATOM 1072 CA TYR A 74 10.456 -3.871 3.742 1.00 0.00 C ATOM 1073 C TYR A 74 11.744 -3.094 3.980 1.00 0.00 C ATOM 1074 O TYR A 74 11.857 -2.335 4.940 1.00 0.00 O ATOM 1075 CB TYR A 74 10.588 -5.298 4.286 1.00 0.00 C ATOM 1076 CG TYR A 74 10.801 -5.369 5.783 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.721 -5.400 6.658 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.081 -5.409 6.320 1.00 0.00 C ATOM 1079 CE1 TYR A 74 9.913 -5.468 8.025 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.281 -5.477 7.686 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.194 -5.507 8.534 1.00 0.00 C ATOM 1082 OH TYR A 74 11.390 -5.574 9.895 1.00 0.00 O ATOM 0 H TYR A 74 10.070 -4.820 1.914 1.00 0.00 H new ATOM 0 HA TYR A 74 9.634 -3.385 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.688 -5.858 4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.423 -5.790 3.787 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.716 -5.370 6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.935 -5.387 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.064 -5.490 8.692 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.283 -5.506 8.087 1.00 0.00 H new ATOM 0 HH TYR A 74 12.351 -5.595 10.086 1.00 0.00 H new ATOM 1092 N LEU A 75 12.711 -3.297 3.088 1.00 0.00 N ATOM 1093 CA LEU A 75 14.006 -2.628 3.176 1.00 0.00 C ATOM 1094 C LEU A 75 13.933 -1.149 2.808 1.00 0.00 C ATOM 1095 O LEU A 75 14.396 -0.292 3.561 1.00 0.00 O ATOM 1096 CB LEU A 75 15.019 -3.328 2.276 1.00 0.00 C ATOM 1097 CG LEU A 75 15.785 -4.474 2.934 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.362 -5.402 1.879 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.886 -3.928 3.830 1.00 0.00 C ATOM 0 H LEU A 75 12.620 -3.925 2.290 1.00 0.00 H new ATOM 0 HA LEU A 75 14.322 -2.689 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.498 -3.715 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.737 -2.589 1.919 1.00 0.00 H new ATOM 0 HG LEU A 75 15.092 -5.047 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.905 -6.213 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.553 -5.816 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.043 -4.844 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.423 -4.756 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.579 -3.334 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.446 -3.302 4.607 1.00 0.00 H new ATOM 1111 N ALA A 76 13.375 -0.849 1.635 1.00 0.00 N ATOM 1112 CA ALA A 76 13.284 0.535 1.178 1.00 0.00 C ATOM 1113 C ALA A 76 12.670 1.407 2.260 1.00 0.00 C ATOM 1114 O ALA A 76 13.210 2.462 2.596 1.00 0.00 O ATOM 1115 CB ALA A 76 12.486 0.627 -0.116 1.00 0.00 C ATOM 0 H ALA A 76 12.984 -1.537 0.992 1.00 0.00 H new ATOM 0 HA ALA A 76 14.291 0.899 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.432 1.667 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.976 0.034 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.479 0.246 0.050 1.00 0.00 H new ATOM 1121 N LEU A 77 11.570 0.951 2.839 1.00 0.00 N ATOM 1122 CA LEU A 77 10.941 1.693 3.919 1.00 0.00 C ATOM 1123 C LEU A 77 11.886 1.688 5.108 1.00 0.00 C ATOM 1124 O LEU A 77 12.083 2.699 5.784 1.00 0.00 O ATOM 1125 CB LEU A 77 9.600 1.065 4.299 1.00 0.00 C ATOM 1126 CG LEU A 77 8.528 1.111 3.210 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.354 0.231 3.598 1.00 0.00 C ATOM 1128 CD2 LEU A 77 8.062 2.542 2.969 1.00 0.00 C ATOM 0 H LEU A 77 11.100 0.083 2.583 1.00 0.00 H new ATOM 0 HA LEU A 77 10.744 2.716 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.770 0.024 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.217 1.572 5.185 1.00 0.00 H new ATOM 0 HG LEU A 77 8.961 0.735 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.596 0.270 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.695 -0.797 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.927 0.587 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.299 2.550 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.644 2.949 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.909 3.152 2.654 1.00 0.00 H new