USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=18 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 -158:sc= 1.06 USER MOD Set 1.2: A 43 CYS SG : rot -95:sc= -1.53 USER MOD Set 1.3: A 70 CYS SG : rot -84:sc= 1.1 USER MOD Set 1.4: A 73 CYS SG : rot 22:sc= -0.667 USER MOD Set 2.1: A 24 CYS SG : rot -145:sc= -1.32 USER MOD Set 2.2: A 27 CYS SG : rot 180:sc= -0.824 USER MOD Set 2.3: A 29 CYS SG : rot -99:sc= -1.45! USER MOD Set 2.4: A 48 CYS SG : rot -147:sc= -0.204 USER MOD Set 2.5: A 51 CYS SG : rot 107:sc= 1.12 USER MOD Single : A 25 ASN :FLIP amide:sc= -1.36 F(o=-2.8!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.33) USER MOD Single : A 39 HIS : no HE2:sc= -2.72! K(o=-2.7!,f=-3.4) USER MOD Single : A 42 ASN : amide:sc= -19.3! C(o=-19!,f=-23!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -82:sc= 1.02 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) 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 2.514 -12.641 -13.357 1.00 0.00 N ATOM 296 CA ALA A 21 3.477 -12.874 -12.290 1.00 0.00 C ATOM 297 C ALA A 21 3.500 -14.347 -11.897 1.00 0.00 C ATOM 298 O ALA A 21 3.086 -14.719 -10.800 1.00 0.00 O ATOM 299 CB ALA A 21 3.146 -12.009 -11.083 1.00 0.00 C ATOM 0 HA ALA A 21 4.467 -12.602 -12.655 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.874 -12.193 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.179 -10.958 -11.369 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.148 -12.256 -10.721 1.00 0.00 H new ATOM 305 N PRO A 22 3.990 -15.205 -12.805 1.00 0.00 N ATOM 306 CA PRO A 22 4.078 -16.652 -12.574 1.00 0.00 C ATOM 307 C PRO A 22 5.166 -17.022 -11.575 1.00 0.00 C ATOM 308 O PRO A 22 5.229 -18.151 -11.088 1.00 0.00 O ATOM 309 CB PRO A 22 4.423 -17.203 -13.955 1.00 0.00 C ATOM 310 CG PRO A 22 5.146 -16.091 -14.630 1.00 0.00 C ATOM 311 CD PRO A 22 4.501 -14.826 -14.134 1.00 0.00 C ATOM 0 HA PRO A 22 3.157 -17.051 -12.149 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.046 -18.095 -13.882 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.525 -17.485 -14.505 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.208 -16.110 -14.387 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.066 -16.173 -15.714 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.218 -14.007 -14.071 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.699 -14.498 -14.795 1.00 0.00 H new ATOM 319 N ALA A 23 6.012 -16.048 -11.273 1.00 0.00 N ATOM 320 CA ALA A 23 7.103 -16.239 -10.327 1.00 0.00 C ATOM 321 C ALA A 23 7.200 -15.046 -9.384 1.00 0.00 C ATOM 322 O ALA A 23 6.741 -13.952 -9.710 1.00 0.00 O ATOM 323 CB ALA A 23 8.418 -16.445 -11.064 1.00 0.00 C ATOM 0 H ALA A 23 5.963 -15.111 -11.672 1.00 0.00 H new ATOM 0 HA ALA A 23 6.898 -17.132 -9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.222 -16.586 -10.341 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.344 -17.326 -11.701 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.632 -15.570 -11.678 1.00 0.00 H new ATOM 329 N CYS A 24 7.782 -15.259 -8.209 1.00 0.00 N ATOM 330 CA CYS A 24 7.912 -14.195 -7.222 1.00 0.00 C ATOM 331 C CYS A 24 8.814 -13.075 -7.726 1.00 0.00 C ATOM 332 O CYS A 24 9.962 -13.304 -8.107 1.00 0.00 O ATOM 333 CB CYS A 24 8.461 -14.754 -5.913 1.00 0.00 C ATOM 334 SG CYS A 24 8.340 -13.608 -4.526 1.00 0.00 S ATOM 0 H CYS A 24 8.170 -16.156 -7.918 1.00 0.00 H new ATOM 0 HA CYS A 24 6.919 -13.779 -7.049 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.922 -15.669 -5.665 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.506 -15.028 -6.056 1.00 0.00 H new ATOM 0 HG CYS A 24 9.365 -13.765 -3.742 1.00 0.00 H new ATOM 340 N ASN A 25 8.282 -11.860 -7.707 1.00 0.00 N ATOM 341 CA ASN A 25 9.021 -10.684 -8.142 1.00 0.00 C ATOM 342 C ASN A 25 10.287 -10.493 -7.309 1.00 0.00 C ATOM 343 O ASN A 25 11.253 -9.881 -7.765 1.00 0.00 O ATOM 344 CB ASN A 25 8.136 -9.442 -8.041 1.00 0.00 C ATOM 345 CG ASN A 25 7.000 -9.465 -9.044 1.00 0.00 C ATOM 346 OD1 ASN A 25 5.792 -9.736 -8.564 1.00 0.00 O flip ATOM 347 ND2 ASN A 25 7.206 -9.248 -10.239 1.00 0.00 N flip ATOM 0 H ASN A 25 7.332 -11.663 -7.392 1.00 0.00 H new ATOM 0 HA ASN A 25 9.315 -10.832 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.727 -9.370 -7.033 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.743 -8.551 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.151 -9.044 -10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.432 -9.273 -10.903 1.00 0.00 H new ATOM 354 N GLY A 26 10.266 -10.993 -6.076 1.00 0.00 N ATOM 355 CA GLY A 26 11.410 -10.836 -5.196 1.00 0.00 C ATOM 356 C GLY A 26 12.443 -11.944 -5.315 1.00 0.00 C ATOM 357 O GLY A 26 13.624 -11.671 -5.533 1.00 0.00 O ATOM 0 H GLY A 26 9.480 -11.502 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.891 -9.882 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.058 -10.792 -4.165 1.00 0.00 H new ATOM 361 N CYS A 27 12.016 -13.193 -5.139 1.00 0.00 N ATOM 362 CA CYS A 27 12.941 -14.323 -5.196 1.00 0.00 C ATOM 363 C CYS A 27 12.854 -15.092 -6.513 1.00 0.00 C ATOM 364 O CYS A 27 13.645 -16.004 -6.750 1.00 0.00 O ATOM 365 CB CYS A 27 12.686 -15.273 -4.025 1.00 0.00 C ATOM 366 SG CYS A 27 11.087 -16.114 -4.092 1.00 0.00 S ATOM 0 H CYS A 27 11.045 -13.447 -4.957 1.00 0.00 H new ATOM 0 HA CYS A 27 13.948 -13.910 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.478 -16.022 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.750 -14.710 -3.094 1.00 0.00 H new ATOM 0 HG CYS A 27 10.964 -16.896 -3.061 1.00 0.00 H new ATOM 372 N GLY A 28 11.917 -14.720 -7.377 1.00 0.00 N ATOM 373 CA GLY A 28 11.795 -15.393 -8.658 1.00 0.00 C ATOM 374 C GLY A 28 11.248 -16.804 -8.548 1.00 0.00 C ATOM 375 O GLY A 28 11.278 -17.557 -9.522 1.00 0.00 O ATOM 0 H GLY A 28 11.244 -13.971 -7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.143 -14.808 -9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.774 -15.427 -9.137 1.00 0.00 H new ATOM 379 N CYS A 29 10.744 -17.173 -7.375 1.00 0.00 N ATOM 380 CA CYS A 29 10.192 -18.509 -7.186 1.00 0.00 C ATOM 381 C CYS A 29 8.870 -18.643 -7.927 1.00 0.00 C ATOM 382 O CYS A 29 8.086 -17.699 -7.994 1.00 0.00 O ATOM 383 CB CYS A 29 9.999 -18.821 -5.703 1.00 0.00 C ATOM 384 SG CYS A 29 8.546 -18.039 -4.964 1.00 0.00 S ATOM 0 H CYS A 29 10.706 -16.574 -6.550 1.00 0.00 H new ATOM 0 HA CYS A 29 10.902 -19.228 -7.594 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.920 -19.901 -5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.887 -18.501 -5.157 1.00 0.00 H new ATOM 0 HG CYS A 29 8.907 -16.960 -4.335 1.00 0.00 H new ATOM 390 N VAL A 30 8.635 -19.816 -8.498 1.00 0.00 N ATOM 391 CA VAL A 30 7.414 -20.059 -9.254 1.00 0.00 C ATOM 392 C VAL A 30 6.239 -20.356 -8.336 1.00 0.00 C ATOM 393 O VAL A 30 6.364 -21.101 -7.364 1.00 0.00 O ATOM 394 CB VAL A 30 7.570 -21.231 -10.235 1.00 0.00 C ATOM 395 CG1 VAL A 30 6.703 -21.013 -11.465 1.00 0.00 C ATOM 396 CG2 VAL A 30 9.029 -21.427 -10.620 1.00 0.00 C ATOM 0 H VAL A 30 9.271 -20.612 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 30 7.221 -19.144 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 30 7.234 -22.142 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.825 -21.852 -12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.658 -20.939 -11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.004 -20.091 -11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.113 -22.262 -11.315 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.405 -20.521 -11.095 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.616 -21.638 -9.726 1.00 0.00 H new ATOM 406 N PHE A 31 5.093 -19.776 -8.662 1.00 0.00 N ATOM 407 CA PHE A 31 3.883 -19.982 -7.880 1.00 0.00 C ATOM 408 C PHE A 31 3.187 -21.265 -8.313 1.00 0.00 C ATOM 409 O PHE A 31 3.035 -21.542 -9.502 1.00 0.00 O ATOM 410 CB PHE A 31 2.934 -18.791 -8.035 1.00 0.00 C ATOM 411 CG PHE A 31 3.489 -17.508 -7.484 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.459 -17.252 -6.123 1.00 0.00 C ATOM 413 CD2 PHE A 31 4.042 -16.559 -8.329 1.00 0.00 C ATOM 414 CE1 PHE A 31 3.971 -16.074 -5.614 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.555 -15.379 -7.826 1.00 0.00 C ATOM 416 CZ PHE A 31 4.519 -15.135 -6.466 1.00 0.00 C ATOM 0 H PHE A 31 4.976 -19.158 -9.465 1.00 0.00 H new ATOM 0 HA PHE A 31 4.162 -20.069 -6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.705 -18.654 -9.092 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.994 -19.017 -7.531 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.030 -17.982 -5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.072 -16.744 -9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.943 -15.887 -4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.984 -14.648 -8.495 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.918 -14.213 -6.071 1.00 0.00 H new ATOM 426 N THR A 32 2.776 -22.043 -7.323 1.00 0.00 N ATOM 427 CA THR A 32 2.099 -23.310 -7.566 1.00 0.00 C ATOM 428 C THR A 32 0.781 -23.379 -6.803 1.00 0.00 C ATOM 429 O THR A 32 0.500 -22.540 -5.949 1.00 0.00 O ATOM 430 CB THR A 32 3.000 -24.477 -7.162 1.00 0.00 C ATOM 431 OG1 THR A 32 3.052 -24.607 -5.753 1.00 0.00 O ATOM 432 CG2 THR A 32 4.421 -24.334 -7.662 1.00 0.00 C ATOM 0 H THR A 32 2.900 -21.817 -6.336 1.00 0.00 H new ATOM 0 HA THR A 32 1.882 -23.380 -8.632 1.00 0.00 H new ATOM 0 HB THR A 32 2.555 -25.359 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.632 -25.360 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.008 -25.195 -7.341 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.420 -24.281 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.860 -23.423 -7.255 1.00 0.00 H new ATOM 440 N THR A 33 -0.019 -24.391 -7.115 1.00 0.00 N ATOM 441 CA THR A 33 -1.304 -24.582 -6.458 1.00 0.00 C ATOM 442 C THR A 33 -1.169 -24.445 -4.946 1.00 0.00 C ATOM 443 O THR A 33 -2.017 -23.836 -4.294 1.00 0.00 O ATOM 444 CB THR A 33 -1.871 -25.960 -6.803 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.988 -26.120 -8.205 1.00 0.00 O ATOM 446 CG2 THR A 33 -3.232 -26.220 -6.195 1.00 0.00 C ATOM 0 H THR A 33 0.201 -25.093 -7.821 1.00 0.00 H new ATOM 0 HA THR A 33 -1.986 -23.810 -6.816 1.00 0.00 H new ATOM 0 HB THR A 33 -1.163 -26.674 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.351 -27.008 -8.404 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.574 -27.215 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.163 -26.157 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.941 -25.475 -6.557 1.00 0.00 H new ATOM 454 N THR A 34 -0.108 -25.019 -4.386 1.00 0.00 N ATOM 455 CA THR A 34 0.109 -24.953 -2.946 1.00 0.00 C ATOM 456 C THR A 34 0.442 -23.530 -2.499 1.00 0.00 C ATOM 457 O THR A 34 0.031 -23.110 -1.418 1.00 0.00 O ATOM 458 CB THR A 34 1.213 -25.921 -2.519 1.00 0.00 C ATOM 459 OG1 THR A 34 0.980 -27.213 -3.054 1.00 0.00 O ATOM 460 CG2 THR A 34 1.331 -26.065 -1.016 1.00 0.00 C ATOM 0 H THR A 34 0.608 -25.530 -4.902 1.00 0.00 H new ATOM 0 HA THR A 34 -0.819 -25.250 -2.458 1.00 0.00 H new ATOM 0 HB THR A 34 2.139 -25.493 -2.904 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.697 -27.818 -2.772 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.132 -26.765 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.555 -25.094 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.391 -26.439 -0.611 1.00 0.00 H new ATOM 468 N VAL A 35 1.181 -22.785 -3.317 1.00 0.00 N ATOM 469 CA VAL A 35 1.541 -21.420 -2.960 1.00 0.00 C ATOM 470 C VAL A 35 0.511 -20.422 -3.467 1.00 0.00 C ATOM 471 O VAL A 35 0.348 -20.226 -4.672 1.00 0.00 O ATOM 472 CB VAL A 35 2.915 -21.018 -3.524 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.238 -19.578 -3.159 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.003 -21.953 -3.022 1.00 0.00 C ATOM 0 H VAL A 35 1.537 -23.100 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 35 1.577 -21.397 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 35 2.874 -21.100 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.213 -19.310 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.477 -18.918 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.256 -19.473 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.964 -21.647 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.046 -21.911 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.780 -22.973 -3.337 1.00 0.00 H new ATOM 484 N ARG A 36 -0.170 -19.793 -2.528 1.00 0.00 N ATOM 485 CA ARG A 36 -1.188 -18.798 -2.841 1.00 0.00 C ATOM 486 C ARG A 36 -0.551 -17.483 -3.279 1.00 0.00 C ATOM 487 O ARG A 36 0.539 -17.125 -2.831 1.00 0.00 O ATOM 488 CB ARG A 36 -2.087 -18.564 -1.625 1.00 0.00 C ATOM 489 CG ARG A 36 -2.874 -19.796 -1.209 1.00 0.00 C ATOM 490 CD ARG A 36 -3.836 -19.491 -0.072 1.00 0.00 C ATOM 491 NE ARG A 36 -4.422 -20.706 0.487 1.00 0.00 N ATOM 492 CZ ARG A 36 -5.064 -20.747 1.650 1.00 0.00 C ATOM 493 NH1 ARG A 36 -5.204 -19.643 2.371 1.00 0.00 N ATOM 494 NH2 ARG A 36 -5.562 -21.892 2.093 1.00 0.00 N ATOM 0 H ARG A 36 -0.037 -19.954 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.791 -19.177 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.473 -18.234 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.783 -17.755 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.431 -20.178 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.184 -20.582 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.310 -18.948 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.630 -18.838 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.334 -21.572 -0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.819 -18.761 2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.697 -19.676 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.453 -22.743 1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.055 -21.923 2.986 1.00 0.00 H new ATOM 508 N ARG A 37 -1.246 -16.770 -4.157 1.00 0.00 N ATOM 509 CA ARG A 37 -0.769 -15.490 -4.667 1.00 0.00 C ATOM 510 C ARG A 37 -1.019 -14.381 -3.649 1.00 0.00 C ATOM 511 O ARG A 37 -2.065 -14.346 -3.002 1.00 0.00 O ATOM 512 CB ARG A 37 -1.466 -15.167 -5.991 1.00 0.00 C ATOM 513 CG ARG A 37 -1.036 -13.849 -6.613 1.00 0.00 C ATOM 514 CD ARG A 37 -1.599 -13.693 -8.018 1.00 0.00 C ATOM 515 NE ARG A 37 -3.042 -13.925 -8.061 1.00 0.00 N ATOM 516 CZ ARG A 37 -3.954 -12.956 -8.058 1.00 0.00 C ATOM 517 NH1 ARG A 37 -3.585 -11.683 -8.010 1.00 0.00 N ATOM 518 NH2 ARG A 37 -5.243 -13.263 -8.102 1.00 0.00 N ATOM 0 H ARG A 37 -2.149 -17.059 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 37 0.305 -15.558 -4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.269 -15.972 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.543 -15.144 -5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.375 -13.022 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.052 -13.798 -6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.382 -12.690 -8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.100 -14.393 -8.688 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.370 -14.890 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.595 -11.440 -7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.291 -10.947 -8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.534 -14.240 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.944 -12.522 -8.100 1.00 0.00 H new ATOM 532 N HIS A 38 -0.049 -13.482 -3.506 1.00 0.00 N ATOM 533 CA HIS A 38 -0.168 -12.380 -2.559 1.00 0.00 C ATOM 534 C HIS A 38 0.432 -11.096 -3.126 1.00 0.00 C ATOM 535 O HIS A 38 1.191 -11.131 -4.092 1.00 0.00 O ATOM 536 CB HIS A 38 0.523 -12.737 -1.242 1.00 0.00 C ATOM 537 CG HIS A 38 -0.043 -13.954 -0.580 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.318 -14.001 -0.057 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.498 -15.175 -0.356 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.535 -15.197 0.462 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.449 -15.928 0.292 1.00 0.00 N ATOM 0 H HIS A 38 0.825 -13.496 -4.032 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.229 -12.210 -2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.585 -12.896 -1.430 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.443 -11.892 -0.559 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.490 -15.497 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.446 -15.521 0.943 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.333 -16.895 0.593 1.00 0.00 H new ATOM 550 N HIS A 39 0.076 -9.966 -2.526 1.00 0.00 N ATOM 551 CA HIS A 39 0.574 -8.673 -2.985 1.00 0.00 C ATOM 552 C HIS A 39 1.150 -7.852 -1.836 1.00 0.00 C ATOM 553 O HIS A 39 0.650 -7.902 -0.713 1.00 0.00 O ATOM 554 CB HIS A 39 -0.551 -7.883 -3.655 1.00 0.00 C ATOM 555 CG HIS A 39 -1.212 -8.612 -4.783 1.00 0.00 C ATOM 556 ND1 HIS A 39 -0.556 -8.961 -5.945 1.00 0.00 N ATOM 557 CD2 HIS A 39 -2.483 -9.056 -4.924 1.00 0.00 C ATOM 558 CE1 HIS A 39 -1.395 -9.586 -6.750 1.00 0.00 C ATOM 559 NE2 HIS A 39 -2.571 -9.657 -6.154 1.00 0.00 N ATOM 0 H HIS A 39 -0.553 -9.918 -1.724 1.00 0.00 H new ATOM 0 HA HIS A 39 1.371 -8.866 -3.703 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.303 -7.633 -2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.148 -6.942 -4.029 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.424 -8.767 -6.150 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.280 -8.956 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.159 -9.974 -7.730 1.00 0.00 H new ATOM 568 N CYS A 40 2.181 -7.065 -2.137 1.00 0.00 N ATOM 569 CA CYS A 40 2.808 -6.190 -1.155 1.00 0.00 C ATOM 570 C CYS A 40 2.126 -4.821 -1.217 1.00 0.00 C ATOM 571 O CYS A 40 1.803 -4.329 -2.299 1.00 0.00 O ATOM 572 CB CYS A 40 4.306 -6.064 -1.456 1.00 0.00 C ATOM 573 SG CYS A 40 5.158 -4.817 -0.469 1.00 0.00 S ATOM 0 H CYS A 40 2.602 -7.018 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 40 2.697 -6.604 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.781 -7.031 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.434 -5.825 -2.512 1.00 0.00 H new ATOM 0 HG CYS A 40 6.254 -4.461 -1.071 1.00 0.00 H new ATOM 579 N ARG A 41 1.866 -4.232 -0.051 1.00 0.00 N ATOM 580 CA ARG A 41 1.171 -2.945 0.024 1.00 0.00 C ATOM 581 C ARG A 41 2.047 -1.770 -0.407 1.00 0.00 C ATOM 582 O ARG A 41 1.575 -0.636 -0.491 1.00 0.00 O ATOM 583 CB ARG A 41 0.652 -2.714 1.444 1.00 0.00 C ATOM 584 CG ARG A 41 -0.370 -3.749 1.888 1.00 0.00 C ATOM 585 CD ARG A 41 -0.953 -3.414 3.251 1.00 0.00 C ATOM 586 NE ARG A 41 -1.785 -4.496 3.768 1.00 0.00 N ATOM 587 CZ ARG A 41 -2.698 -4.335 4.719 1.00 0.00 C ATOM 588 NH1 ARG A 41 -2.895 -3.137 5.255 1.00 0.00 N ATOM 589 NH2 ARG A 41 -3.415 -5.369 5.135 1.00 0.00 N ATOM 0 H ARG A 41 2.125 -4.624 0.854 1.00 0.00 H new ATOM 0 HA ARG A 41 0.337 -2.994 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.493 -2.724 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.203 -1.722 1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.173 -3.806 1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.100 -4.732 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.143 -3.212 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.547 -2.503 3.178 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.658 -5.429 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.345 -2.339 4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.596 -3.014 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.266 -6.291 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.116 -5.243 5.866 1.00 0.00 H new ATOM 603 N ASN A 42 3.316 -2.038 -0.675 1.00 0.00 N ATOM 604 CA ASN A 42 4.246 -0.995 -1.095 1.00 0.00 C ATOM 605 C ASN A 42 4.469 -1.015 -2.604 1.00 0.00 C ATOM 606 O ASN A 42 4.013 -0.121 -3.317 1.00 0.00 O ATOM 607 CB ASN A 42 5.580 -1.159 -0.363 1.00 0.00 C ATOM 608 CG ASN A 42 5.483 -0.805 1.104 1.00 0.00 C ATOM 609 OD1 ASN A 42 5.013 0.272 1.461 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.929 -1.711 1.964 1.00 0.00 N ATOM 0 H ASN A 42 3.728 -2.969 -0.610 1.00 0.00 H new ATOM 0 HA ASN A 42 3.807 -0.031 -0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.921 -2.189 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.331 -0.527 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.889 -1.526 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.312 -2.593 1.623 1.00 0.00 H new ATOM 617 N CYS A 43 5.189 -2.019 -3.085 1.00 0.00 N ATOM 618 CA CYS A 43 5.487 -2.128 -4.508 1.00 0.00 C ATOM 619 C CYS A 43 4.280 -2.612 -5.307 1.00 0.00 C ATOM 620 O CYS A 43 4.162 -2.333 -6.499 1.00 0.00 O ATOM 621 CB CYS A 43 6.675 -3.067 -4.728 1.00 0.00 C ATOM 622 SG CYS A 43 6.373 -4.778 -4.230 1.00 0.00 S ATOM 0 H CYS A 43 5.577 -2.769 -2.513 1.00 0.00 H new ATOM 0 HA CYS A 43 5.742 -1.131 -4.868 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.945 -3.051 -5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.532 -2.685 -4.173 1.00 0.00 H new ATOM 0 HG CYS A 43 6.819 -4.964 -3.023 1.00 0.00 H new ATOM 628 N GLY A 44 3.379 -3.324 -4.640 1.00 0.00 N ATOM 629 CA GLY A 44 2.186 -3.816 -5.305 1.00 0.00 C ATOM 630 C GLY A 44 2.469 -4.985 -6.227 1.00 0.00 C ATOM 631 O GLY A 44 1.691 -5.272 -7.135 1.00 0.00 O ATOM 0 H GLY A 44 3.452 -3.569 -3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.456 -4.119 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.735 -3.007 -5.879 1.00 0.00 H new ATOM 635 N TYR A 45 3.577 -5.667 -5.988 1.00 0.00 N ATOM 636 CA TYR A 45 3.955 -6.815 -6.798 1.00 0.00 C ATOM 637 C TYR A 45 3.564 -8.108 -6.102 1.00 0.00 C ATOM 638 O TYR A 45 3.307 -8.126 -4.899 1.00 0.00 O ATOM 639 CB TYR A 45 5.455 -6.808 -7.087 1.00 0.00 C ATOM 640 CG TYR A 45 5.926 -5.570 -7.816 1.00 0.00 C ATOM 641 CD1 TYR A 45 5.255 -5.109 -8.943 1.00 0.00 C ATOM 642 CD2 TYR A 45 7.039 -4.865 -7.381 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.682 -3.980 -9.615 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.472 -3.733 -8.047 1.00 0.00 C ATOM 645 CZ TYR A 45 6.791 -3.296 -9.164 1.00 0.00 C ATOM 646 OH TYR A 45 7.218 -2.170 -9.829 1.00 0.00 O ATOM 0 H TYR A 45 4.232 -5.446 -5.238 1.00 0.00 H new ATOM 0 HA TYR A 45 3.421 -6.749 -7.746 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.998 -6.894 -6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.706 -7.687 -7.681 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.386 -5.642 -9.299 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.576 -5.206 -6.508 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.150 -3.635 -10.489 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.339 -3.194 -7.694 1.00 0.00 H new ATOM 0 HH TYR A 45 8.011 -1.807 -9.382 1.00 0.00 H new ATOM 656 N VAL A 46 3.507 -9.184 -6.871 1.00 0.00 N ATOM 657 CA VAL A 46 3.134 -10.479 -6.321 1.00 0.00 C ATOM 658 C VAL A 46 4.303 -11.117 -5.580 1.00 0.00 C ATOM 659 O VAL A 46 5.406 -11.228 -6.117 1.00 0.00 O ATOM 660 CB VAL A 46 2.634 -11.448 -7.407 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.313 -12.804 -6.796 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.417 -10.875 -8.121 1.00 0.00 C ATOM 0 H VAL A 46 3.712 -9.188 -7.870 1.00 0.00 H new ATOM 0 HA VAL A 46 2.318 -10.294 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 46 3.426 -11.581 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.960 -13.480 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.210 -13.217 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.538 -12.687 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.080 -11.576 -8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.616 -10.711 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.683 -9.928 -8.590 1.00 0.00 H new ATOM 672 N LEU A 47 4.051 -11.543 -4.348 1.00 0.00 N ATOM 673 CA LEU A 47 5.074 -12.184 -3.529 1.00 0.00 C ATOM 674 C LEU A 47 4.536 -13.472 -2.917 1.00 0.00 C ATOM 675 O LEU A 47 3.402 -13.513 -2.440 1.00 0.00 O ATOM 676 CB LEU A 47 5.529 -11.263 -2.387 1.00 0.00 C ATOM 677 CG LEU A 47 6.291 -9.992 -2.779 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.694 -10.322 -3.253 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.543 -9.202 -3.834 1.00 0.00 C ATOM 0 H LEU A 47 3.143 -11.456 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 47 5.920 -12.401 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.647 -10.967 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.161 -11.843 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 47 6.369 -9.370 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.212 -9.402 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.240 -10.823 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.640 -10.978 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.111 -8.307 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.414 -9.816 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.565 -8.914 -3.448 1.00 0.00 H new ATOM 691 N CYS A 48 5.359 -14.512 -2.894 1.00 0.00 N ATOM 692 CA CYS A 48 4.953 -15.775 -2.290 1.00 0.00 C ATOM 693 C CYS A 48 5.005 -15.625 -0.776 1.00 0.00 C ATOM 694 O CYS A 48 5.398 -14.570 -0.277 1.00 0.00 O ATOM 695 CB CYS A 48 5.861 -16.922 -2.747 1.00 0.00 C ATOM 696 SG CYS A 48 7.361 -17.117 -1.757 1.00 0.00 S ATOM 0 H CYS A 48 6.302 -14.508 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 48 3.938 -16.018 -2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.295 -17.853 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.144 -16.755 -3.786 1.00 0.00 H new ATOM 0 HG CYS A 48 8.330 -17.536 -2.515 1.00 0.00 H new ATOM 702 N GLY A 49 4.613 -16.652 -0.033 1.00 0.00 N ATOM 703 CA GLY A 49 4.643 -16.544 1.412 1.00 0.00 C ATOM 704 C GLY A 49 6.010 -16.143 1.929 1.00 0.00 C ATOM 705 O GLY A 49 6.138 -15.182 2.686 1.00 0.00 O ATOM 0 H GLY A 49 4.280 -17.544 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.905 -15.810 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.356 -17.499 1.852 1.00 0.00 H new ATOM 709 N ASP A 50 7.029 -16.891 1.517 1.00 0.00 N ATOM 710 CA ASP A 50 8.407 -16.639 1.939 1.00 0.00 C ATOM 711 C ASP A 50 8.867 -15.217 1.639 1.00 0.00 C ATOM 712 O ASP A 50 9.626 -14.624 2.405 1.00 0.00 O ATOM 713 CB ASP A 50 9.354 -17.634 1.272 1.00 0.00 C ATOM 714 CG ASP A 50 9.215 -19.034 1.835 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.462 -19.207 2.816 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.862 -19.957 1.298 1.00 0.00 O ATOM 0 H ASP A 50 6.926 -17.685 0.885 1.00 0.00 H new ATOM 0 HA ASP A 50 8.430 -16.767 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.157 -17.656 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.382 -17.295 1.400 1.00 0.00 H new ATOM 721 N CYS A 51 8.406 -14.679 0.520 1.00 0.00 N ATOM 722 CA CYS A 51 8.774 -13.327 0.114 1.00 0.00 C ATOM 723 C CYS A 51 7.816 -12.294 0.695 1.00 0.00 C ATOM 724 O CYS A 51 7.995 -11.091 0.504 1.00 0.00 O ATOM 725 CB CYS A 51 8.811 -13.220 -1.410 1.00 0.00 C ATOM 726 SG CYS A 51 10.433 -13.584 -2.122 1.00 0.00 S ATOM 0 H CYS A 51 7.776 -15.156 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 51 9.769 -13.119 0.506 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.076 -13.906 -1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.513 -12.213 -1.703 1.00 0.00 H new ATOM 0 HG CYS A 51 10.398 -14.742 -2.713 1.00 0.00 H new ATOM 732 N SER A 52 6.807 -12.768 1.418 1.00 0.00 N ATOM 733 CA SER A 52 5.830 -11.891 2.043 1.00 0.00 C ATOM 734 C SER A 52 5.620 -12.302 3.496 1.00 0.00 C ATOM 735 O SER A 52 4.556 -12.075 4.070 1.00 0.00 O ATOM 736 CB SER A 52 4.504 -11.946 1.283 1.00 0.00 C ATOM 737 OG SER A 52 3.833 -13.172 1.514 1.00 0.00 O ATOM 0 H SER A 52 6.646 -13.761 1.585 1.00 0.00 H new ATOM 0 HA SER A 52 6.205 -10.868 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.869 -11.116 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.688 -11.824 0.216 1.00 0.00 H new ATOM 0 HG SER A 52 4.198 -13.862 0.921 1.00 0.00 H new ATOM 743 N ARG A 53 6.652 -12.900 4.089 1.00 0.00 N ATOM 744 CA ARG A 53 6.584 -13.332 5.479 1.00 0.00 C ATOM 745 C ARG A 53 6.883 -12.176 6.430 1.00 0.00 C ATOM 746 O ARG A 53 6.567 -12.248 7.617 1.00 0.00 O ATOM 747 CB ARG A 53 7.552 -14.491 5.749 1.00 0.00 C ATOM 748 CG ARG A 53 7.119 -15.818 5.152 1.00 0.00 C ATOM 749 CD ARG A 53 7.977 -16.962 5.667 1.00 0.00 C ATOM 750 NE ARG A 53 7.638 -18.232 5.033 1.00 0.00 N ATOM 751 CZ ARG A 53 8.100 -19.408 5.449 1.00 0.00 C ATOM 752 NH1 ARG A 53 8.925 -19.469 6.485 1.00 0.00 N ATOM 753 NH2 ARG A 53 7.738 -20.523 4.828 1.00 0.00 N ATOM 0 H ARG A 53 7.541 -13.095 3.628 1.00 0.00 H new ATOM 0 HA ARG A 53 5.567 -13.679 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.533 -14.230 5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.666 -14.610 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.074 -16.006 5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.188 -15.770 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.028 -16.736 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.851 -17.051 6.746 1.00 0.00 H new ATOM 0 HE ARG A 53 7.013 -18.217 4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.206 -18.614 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.279 -20.371 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.104 -20.480 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.093 -21.424 5.149 1.00 0.00 H new ATOM 767 N HIS A 54 7.497 -11.113 5.915 1.00 0.00 N ATOM 768 CA HIS A 54 7.831 -9.962 6.747 1.00 0.00 C ATOM 769 C HIS A 54 6.618 -9.074 6.973 1.00 0.00 C ATOM 770 O HIS A 54 5.612 -9.181 6.272 1.00 0.00 O ATOM 771 CB HIS A 54 8.946 -9.132 6.109 1.00 0.00 C ATOM 772 CG HIS A 54 10.281 -9.806 6.113 1.00 0.00 C ATOM 773 ND1 HIS A 54 10.963 -10.114 7.271 1.00 0.00 N ATOM 774 CD2 HIS A 54 11.065 -10.228 5.092 1.00 0.00 C ATOM 775 CE1 HIS A 54 12.108 -10.694 6.963 1.00 0.00 C ATOM 776 NE2 HIS A 54 12.194 -10.775 5.649 1.00 0.00 N ATOM 0 H HIS A 54 7.770 -11.026 4.936 1.00 0.00 H new ATOM 0 HA HIS A 54 8.172 -10.349 7.707 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.670 -8.900 5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.028 -8.183 6.639 1.00 0.00 H new ATOM 0 HD2 HIS A 54 10.843 -10.149 4.038 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.849 -11.043 7.667 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.974 -11.179 5.130 1.00 0.00 H new ATOM 785 N ARG A 55 6.731 -8.185 7.951 1.00 0.00 N ATOM 786 CA ARG A 55 5.655 -7.258 8.271 1.00 0.00 C ATOM 787 C ARG A 55 6.222 -5.881 8.615 1.00 0.00 C ATOM 788 O ARG A 55 7.206 -5.769 9.346 1.00 0.00 O ATOM 789 CB ARG A 55 4.813 -7.796 9.430 1.00 0.00 C ATOM 790 CG ARG A 55 4.149 -9.130 9.125 1.00 0.00 C ATOM 791 CD ARG A 55 3.258 -9.585 10.269 1.00 0.00 C ATOM 792 NE ARG A 55 3.992 -9.690 11.527 1.00 0.00 N ATOM 793 CZ ARG A 55 4.616 -10.794 11.932 1.00 0.00 C ATOM 794 NH1 ARG A 55 4.600 -11.886 11.180 1.00 0.00 N ATOM 795 NH2 ARG A 55 5.259 -10.805 13.091 1.00 0.00 N ATOM 0 H ARG A 55 7.560 -8.087 8.538 1.00 0.00 H new ATOM 0 HA ARG A 55 5.013 -7.158 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.447 -7.907 10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.045 -7.065 9.681 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.557 -9.043 8.214 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.914 -9.883 8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.434 -8.882 10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.819 -10.552 10.024 1.00 0.00 H new ATOM 0 HE ARG A 55 4.029 -8.869 12.131 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.108 -11.883 10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.080 -12.729 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.276 -9.967 13.673 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.737 -11.651 13.401 1.00 0.00 H new ATOM 809 N ALA A 56 5.600 -4.841 8.082 1.00 0.00 N ATOM 810 CA ALA A 56 6.056 -3.476 8.337 1.00 0.00 C ATOM 811 C ALA A 56 4.952 -2.459 8.095 1.00 0.00 C ATOM 812 O ALA A 56 4.045 -2.693 7.298 1.00 0.00 O ATOM 813 CB ALA A 56 7.265 -3.159 7.472 1.00 0.00 C ATOM 0 H ALA A 56 4.784 -4.910 7.474 1.00 0.00 H new ATOM 0 HA ALA A 56 6.339 -3.410 9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.597 -2.140 7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.071 -3.855 7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.995 -3.255 6.420 1.00 0.00 H new ATOM 819 N ALA A 57 5.049 -1.311 8.762 1.00 0.00 N ATOM 820 CA ALA A 57 4.075 -0.243 8.594 1.00 0.00 C ATOM 821 C ALA A 57 4.554 0.709 7.510 1.00 0.00 C ATOM 822 O ALA A 57 5.758 0.856 7.297 1.00 0.00 O ATOM 823 CB ALA A 57 3.861 0.500 9.905 1.00 0.00 C ATOM 0 H ALA A 57 5.795 -1.099 9.425 1.00 0.00 H new ATOM 0 HA ALA A 57 3.119 -0.674 8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.129 1.294 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.495 -0.195 10.661 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.805 0.933 10.236 1.00 0.00 H new ATOM 829 N ILE A 58 3.622 1.347 6.816 1.00 0.00 N ATOM 830 CA ILE A 58 3.969 2.268 5.746 1.00 0.00 C ATOM 831 C ILE A 58 3.292 3.621 5.946 1.00 0.00 C ATOM 832 O ILE A 58 2.249 3.900 5.356 1.00 0.00 O ATOM 833 CB ILE A 58 3.564 1.684 4.385 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.719 0.161 4.400 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.406 2.298 3.282 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.178 -0.522 3.161 1.00 0.00 C ATOM 0 H ILE A 58 2.620 1.243 6.976 1.00 0.00 H new ATOM 0 HA ILE A 58 5.049 2.413 5.768 1.00 0.00 H new ATOM 0 HB ILE A 58 2.518 1.923 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.775 -0.086 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.207 -0.238 5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.110 1.877 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.255 3.377 3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.459 2.082 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.324 -1.599 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.114 -0.307 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.706 -0.153 2.282 1.00 0.00 H new ATOM 848 N PRO A 59 3.878 4.471 6.801 1.00 0.00 N ATOM 849 CA PRO A 59 3.335 5.798 7.114 1.00 0.00 C ATOM 850 C PRO A 59 3.315 6.752 5.924 1.00 0.00 C ATOM 851 O PRO A 59 2.697 7.815 5.994 1.00 0.00 O ATOM 852 CB PRO A 59 4.260 6.319 8.216 1.00 0.00 C ATOM 853 CG PRO A 59 5.526 5.553 8.041 1.00 0.00 C ATOM 854 CD PRO A 59 5.114 4.194 7.550 1.00 0.00 C ATOM 0 HA PRO A 59 2.289 5.731 7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.429 7.391 8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.831 6.154 9.204 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.185 6.045 7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.073 5.481 8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.878 3.746 6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.939 3.503 8.375 1.00 0.00 H new ATOM 862 N MET A 60 3.957 6.373 4.825 1.00 0.00 N ATOM 863 CA MET A 60 3.956 7.213 3.633 1.00 0.00 C ATOM 864 C MET A 60 2.766 6.845 2.761 1.00 0.00 C ATOM 865 O MET A 60 2.136 7.699 2.136 1.00 0.00 O ATOM 866 CB MET A 60 5.258 7.033 2.849 1.00 0.00 C ATOM 867 CG MET A 60 6.495 7.463 3.620 1.00 0.00 C ATOM 868 SD MET A 60 7.998 7.377 2.629 1.00 0.00 S ATOM 869 CE MET A 60 9.233 7.808 3.852 1.00 0.00 C ATOM 0 H MET A 60 4.479 5.501 4.734 1.00 0.00 H new ATOM 0 HA MET A 60 3.879 8.258 3.933 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.361 5.985 2.567 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.198 7.607 1.924 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.359 8.484 3.978 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.608 6.829 4.500 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.221 7.798 3.391 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.025 8.804 4.244 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.206 7.085 4.667 1.00 0.00 H new ATOM 879 N ARG A 61 2.473 5.552 2.738 1.00 0.00 N ATOM 880 CA ARG A 61 1.364 5.015 1.961 1.00 0.00 C ATOM 881 C ARG A 61 0.066 5.067 2.766 1.00 0.00 C ATOM 882 O ARG A 61 -0.924 4.426 2.418 1.00 0.00 O ATOM 883 CB ARG A 61 1.672 3.579 1.541 1.00 0.00 C ATOM 884 CG ARG A 61 3.035 3.428 0.884 1.00 0.00 C ATOM 885 CD ARG A 61 3.129 4.208 -0.416 1.00 0.00 C ATOM 886 NE ARG A 61 2.640 3.437 -1.554 1.00 0.00 N ATOM 887 CZ ARG A 61 1.398 3.509 -2.022 1.00 0.00 C ATOM 888 NH1 ARG A 61 0.508 4.309 -1.447 1.00 0.00 N ATOM 889 NH2 ARG A 61 1.043 2.773 -3.065 1.00 0.00 N ATOM 0 H ARG A 61 2.996 4.847 3.257 1.00 0.00 H new ATOM 0 HA ARG A 61 1.235 5.626 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.624 2.933 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.902 3.236 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.809 3.772 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.229 2.373 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.553 5.129 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.166 4.496 -0.592 1.00 0.00 H new ATOM 0 HE ARG A 61 3.291 2.804 -2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.776 4.874 -0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.443 4.359 -1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.722 2.153 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.091 2.826 -3.426 1.00 0.00 H new ATOM 903 N GLY A 62 0.089 5.851 3.840 1.00 0.00 N ATOM 904 CA GLY A 62 -1.081 5.999 4.683 1.00 0.00 C ATOM 905 C GLY A 62 -1.247 4.858 5.664 1.00 0.00 C ATOM 906 O GLY A 62 -2.287 4.740 6.312 1.00 0.00 O ATOM 0 H GLY A 62 0.902 6.388 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.010 6.937 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.970 6.064 4.055 1.00 0.00 H new ATOM 910 N ILE A 63 -0.228 4.012 5.778 1.00 0.00 N ATOM 911 CA ILE A 63 -0.280 2.878 6.688 1.00 0.00 C ATOM 912 C ILE A 63 0.508 3.181 7.962 1.00 0.00 C ATOM 913 O ILE A 63 1.737 3.138 7.969 1.00 0.00 O ATOM 914 CB ILE A 63 0.298 1.622 6.002 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.473 1.329 4.713 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.261 0.419 6.930 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.152 0.246 3.863 1.00 0.00 C ATOM 0 H ILE A 63 0.642 4.092 5.251 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.321 2.694 6.954 1.00 0.00 H new ATOM 0 HB ILE A 63 1.342 1.818 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.491 1.036 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.542 2.245 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.675 -0.449 6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.851 0.629 7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.770 0.213 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.450 0.094 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.160 0.545 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.197 -0.683 4.432 1.00 0.00 H new ATOM 929 N THR A 64 -0.209 3.499 9.038 1.00 0.00 N ATOM 930 CA THR A 64 0.432 3.820 10.311 1.00 0.00 C ATOM 931 C THR A 64 0.665 2.571 11.152 1.00 0.00 C ATOM 932 O THR A 64 1.498 2.570 12.057 1.00 0.00 O ATOM 933 CB THR A 64 -0.407 4.836 11.086 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.715 4.341 11.313 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.529 6.169 10.379 1.00 0.00 C ATOM 0 H THR A 64 -1.228 3.541 9.054 1.00 0.00 H new ATOM 0 HA THR A 64 1.406 4.257 10.092 1.00 0.00 H new ATOM 0 HB THR A 64 0.120 4.990 12.028 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.234 5.006 11.812 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.136 6.846 10.980 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.463 6.599 10.239 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.002 6.024 9.408 1.00 0.00 H new ATOM 943 N GLU A 65 -0.056 1.502 10.836 1.00 0.00 N ATOM 944 CA GLU A 65 0.097 0.243 11.552 1.00 0.00 C ATOM 945 C GLU A 65 0.906 -0.726 10.704 1.00 0.00 C ATOM 946 O GLU A 65 0.819 -0.701 9.478 1.00 0.00 O ATOM 947 CB GLU A 65 -1.270 -0.358 11.881 1.00 0.00 C ATOM 948 CG GLU A 65 -2.325 0.682 12.221 1.00 0.00 C ATOM 949 CD GLU A 65 -3.241 0.240 13.345 1.00 0.00 C ATOM 950 OE1 GLU A 65 -2.903 0.492 14.520 1.00 0.00 O ATOM 951 OE2 GLU A 65 -4.296 -0.360 13.051 1.00 0.00 O ATOM 0 H GLU A 65 -0.751 1.482 10.090 1.00 0.00 H new ATOM 0 HA GLU A 65 0.622 0.429 12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.613 -0.947 11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.164 -1.044 12.721 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.834 1.613 12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.921 0.892 11.333 1.00 0.00 H new ATOM 958 N PRO A 66 1.714 -1.589 11.332 1.00 0.00 N ATOM 959 CA PRO A 66 2.534 -2.546 10.594 1.00 0.00 C ATOM 960 C PRO A 66 1.683 -3.470 9.731 1.00 0.00 C ATOM 961 O PRO A 66 0.779 -4.148 10.222 1.00 0.00 O ATOM 962 CB PRO A 66 3.273 -3.327 11.687 1.00 0.00 C ATOM 963 CG PRO A 66 2.511 -3.061 12.944 1.00 0.00 C ATOM 964 CD PRO A 66 1.899 -1.697 12.784 1.00 0.00 C ATOM 0 HA PRO A 66 3.214 -2.055 9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.298 -4.393 11.460 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.308 -2.996 11.776 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.741 -3.817 13.100 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.169 -3.093 13.812 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.953 -1.613 13.319 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.553 -0.913 13.167 1.00 0.00 H new ATOM 972 N GLU A 67 1.978 -3.479 8.437 1.00 0.00 N ATOM 973 CA GLU A 67 1.251 -4.299 7.478 1.00 0.00 C ATOM 974 C GLU A 67 2.212 -5.201 6.707 1.00 0.00 C ATOM 975 O GLU A 67 3.428 -5.016 6.760 1.00 0.00 O ATOM 976 CB GLU A 67 0.475 -3.404 6.509 1.00 0.00 C ATOM 977 CG GLU A 67 -0.536 -2.499 7.192 1.00 0.00 C ATOM 978 CD GLU A 67 -1.604 -3.275 7.935 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.753 -4.486 7.666 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.291 -2.674 8.788 1.00 0.00 O ATOM 0 H GLU A 67 2.725 -2.920 8.025 1.00 0.00 H new ATOM 0 HA GLU A 67 0.547 -4.930 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.181 -2.789 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.043 -4.032 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.017 -1.843 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.009 -1.860 6.446 1.00 0.00 H new ATOM 987 N ARG A 68 1.661 -6.183 6.004 1.00 0.00 N ATOM 988 CA ARG A 68 2.470 -7.125 5.235 1.00 0.00 C ATOM 989 C ARG A 68 3.085 -6.474 3.998 1.00 0.00 C ATOM 990 O ARG A 68 2.432 -5.726 3.270 1.00 0.00 O ATOM 991 CB ARG A 68 1.626 -8.334 4.838 1.00 0.00 C ATOM 992 CG ARG A 68 0.463 -7.998 3.921 1.00 0.00 C ATOM 993 CD ARG A 68 -0.487 -9.176 3.780 1.00 0.00 C ATOM 994 NE ARG A 68 -1.554 -8.911 2.819 1.00 0.00 N ATOM 995 CZ ARG A 68 -2.603 -9.709 2.648 1.00 0.00 C ATOM 996 NH1 ARG A 68 -2.722 -10.814 3.372 1.00 0.00 N ATOM 997 NH2 ARG A 68 -3.532 -9.405 1.752 1.00 0.00 N ATOM 0 H ARG A 68 0.656 -6.349 5.950 1.00 0.00 H new ATOM 0 HA ARG A 68 3.293 -7.452 5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.266 -9.065 4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.239 -8.807 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.077 -7.138 4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.842 -7.714 2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.073 -10.057 3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.924 -9.407 4.752 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.491 -8.068 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.008 -11.052 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.527 -11.426 3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.442 -8.557 1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.336 -10.019 1.623 1.00 0.00 H new ATOM 1011 N VAL A 69 4.353 -6.801 3.777 1.00 0.00 N ATOM 1012 CA VAL A 69 5.119 -6.305 2.637 1.00 0.00 C ATOM 1013 C VAL A 69 6.089 -7.374 2.162 1.00 0.00 C ATOM 1014 O VAL A 69 6.148 -8.466 2.728 1.00 0.00 O ATOM 1015 CB VAL A 69 5.923 -5.043 2.992 1.00 0.00 C ATOM 1016 CG1 VAL A 69 4.987 -3.891 3.324 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.885 -5.326 4.140 1.00 0.00 C ATOM 0 H VAL A 69 4.883 -7.422 4.388 1.00 0.00 H new ATOM 0 HA VAL A 69 4.405 -6.055 1.853 1.00 0.00 H new ATOM 0 HB VAL A 69 6.516 -4.752 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.573 -3.006 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.354 -3.677 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.362 -4.163 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.445 -4.421 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.321 -5.644 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.578 -6.115 3.848 1.00 0.00 H new ATOM 1027 N CYS A 70 6.872 -7.050 1.142 1.00 0.00 N ATOM 1028 CA CYS A 70 7.864 -7.973 0.622 1.00 0.00 C ATOM 1029 C CYS A 70 9.218 -7.656 1.241 1.00 0.00 C ATOM 1030 O CYS A 70 9.296 -6.926 2.229 1.00 0.00 O ATOM 1031 CB CYS A 70 7.933 -7.904 -0.905 1.00 0.00 C ATOM 1032 SG CYS A 70 9.104 -6.693 -1.550 1.00 0.00 S ATOM 0 H CYS A 70 6.837 -6.152 0.659 1.00 0.00 H new ATOM 0 HA CYS A 70 7.577 -8.990 0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.201 -8.889 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.940 -7.671 -1.290 1.00 0.00 H new ATOM 0 HG CYS A 70 8.542 -5.521 -1.583 1.00 0.00 H new ATOM 1038 N ASP A 71 10.278 -8.211 0.681 1.00 0.00 N ATOM 1039 CA ASP A 71 11.616 -7.976 1.220 1.00 0.00 C ATOM 1040 C ASP A 71 12.187 -6.618 0.801 1.00 0.00 C ATOM 1041 O ASP A 71 12.750 -5.901 1.629 1.00 0.00 O ATOM 1042 CB ASP A 71 12.566 -9.102 0.811 1.00 0.00 C ATOM 1043 CG ASP A 71 13.897 -9.028 1.533 1.00 0.00 C ATOM 1044 OD1 ASP A 71 14.053 -8.141 2.399 1.00 0.00 O ATOM 1045 OD2 ASP A 71 14.781 -9.858 1.236 1.00 0.00 O ATOM 0 H ASP A 71 10.246 -8.821 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 71 11.522 -7.963 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.096 -10.063 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.737 -9.057 -0.265 1.00 0.00 H new ATOM 1050 N ALA A 72 12.055 -6.267 -0.472 1.00 0.00 N ATOM 1051 CA ALA A 72 12.579 -4.993 -0.960 1.00 0.00 C ATOM 1052 C ALA A 72 11.853 -3.803 -0.336 1.00 0.00 C ATOM 1053 O ALA A 72 12.485 -2.847 0.112 1.00 0.00 O ATOM 1054 CB ALA A 72 12.491 -4.930 -2.477 1.00 0.00 C ATOM 0 H ALA A 72 11.595 -6.838 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 72 13.625 -4.933 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.885 -3.975 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.075 -5.743 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.450 -5.027 -2.785 1.00 0.00 H new ATOM 1060 N CYS A 73 10.528 -3.868 -0.303 1.00 0.00 N ATOM 1061 CA CYS A 73 9.723 -2.797 0.274 1.00 0.00 C ATOM 1062 C CYS A 73 10.011 -2.660 1.761 1.00 0.00 C ATOM 1063 O CYS A 73 10.134 -1.550 2.278 1.00 0.00 O ATOM 1064 CB CYS A 73 8.238 -3.070 0.044 1.00 0.00 C ATOM 1065 SG CYS A 73 7.830 -3.428 -1.678 1.00 0.00 S ATOM 0 H CYS A 73 9.987 -4.651 -0.669 1.00 0.00 H new ATOM 0 HA CYS A 73 9.986 -1.860 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.931 -3.912 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.662 -2.205 0.373 1.00 0.00 H new ATOM 0 HG CYS A 73 8.896 -3.836 -2.301 1.00 0.00 H new ATOM 1071 N TYR A 74 10.141 -3.788 2.442 1.00 0.00 N ATOM 1072 CA TYR A 74 10.443 -3.770 3.863 1.00 0.00 C ATOM 1073 C TYR A 74 11.725 -2.984 4.096 1.00 0.00 C ATOM 1074 O TYR A 74 11.837 -2.219 5.051 1.00 0.00 O ATOM 1075 CB TYR A 74 10.592 -5.197 4.399 1.00 0.00 C ATOM 1076 CG TYR A 74 10.868 -5.263 5.884 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.829 -5.243 6.806 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.168 -5.348 6.364 1.00 0.00 C ATOM 1079 CE1 TYR A 74 10.078 -5.304 8.164 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.426 -5.411 7.721 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.377 -5.387 8.616 1.00 0.00 C ATOM 1082 OH TYR A 74 11.629 -5.448 9.968 1.00 0.00 O ATOM 0 H TYR A 74 10.043 -4.719 2.037 1.00 0.00 H new ATOM 0 HA TYR A 74 9.622 -3.290 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.680 -5.754 4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.403 -5.693 3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.809 -5.179 6.456 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.992 -5.365 5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.259 -5.287 8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.443 -5.479 8.078 1.00 0.00 H new ATOM 0 HH TYR A 74 12.596 -5.504 10.118 1.00 0.00 H new ATOM 1092 N LEU A 75 12.688 -3.184 3.200 1.00 0.00 N ATOM 1093 CA LEU A 75 13.976 -2.507 3.275 1.00 0.00 C ATOM 1094 C LEU A 75 13.867 -1.024 2.927 1.00 0.00 C ATOM 1095 O LEU A 75 14.331 -0.165 3.677 1.00 0.00 O ATOM 1096 CB LEU A 75 14.969 -3.185 2.332 1.00 0.00 C ATOM 1097 CG LEU A 75 15.674 -4.415 2.905 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.283 -5.250 1.789 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.740 -3.998 3.904 1.00 0.00 C ATOM 0 H LEU A 75 12.597 -3.817 2.406 1.00 0.00 H new ATOM 0 HA LEU A 75 14.327 -2.579 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.442 -3.478 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.725 -2.456 2.040 1.00 0.00 H new ATOM 0 HG LEU A 75 14.935 -5.026 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.780 -6.121 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.496 -5.578 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.009 -4.650 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.232 -4.885 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.477 -3.366 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.277 -3.443 4.720 1.00 0.00 H new ATOM 1111 N ALA A 76 13.267 -0.727 1.777 1.00 0.00 N ATOM 1112 CA ALA A 76 13.124 0.658 1.335 1.00 0.00 C ATOM 1113 C ALA A 76 12.538 1.514 2.447 1.00 0.00 C ATOM 1114 O ALA A 76 13.078 2.570 2.773 1.00 0.00 O ATOM 1115 CB ALA A 76 12.264 0.733 0.083 1.00 0.00 C ATOM 0 H ALA A 76 12.875 -1.420 1.139 1.00 0.00 H new ATOM 0 HA ALA A 76 14.112 1.047 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.169 1.772 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.731 0.154 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.275 0.326 0.296 1.00 0.00 H new ATOM 1121 N LEU A 77 11.458 1.042 3.053 1.00 0.00 N ATOM 1122 CA LEU A 77 10.852 1.770 4.157 1.00 0.00 C ATOM 1123 C LEU A 77 11.829 1.774 5.324 1.00 0.00 C ATOM 1124 O LEU A 77 12.027 2.784 5.999 1.00 0.00 O ATOM 1125 CB LEU A 77 9.526 1.123 4.562 1.00 0.00 C ATOM 1126 CG LEU A 77 8.420 1.194 3.503 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.301 0.219 3.835 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.874 2.612 3.392 1.00 0.00 C ATOM 0 H LEU A 77 10.989 0.171 2.803 1.00 0.00 H new ATOM 0 HA LEU A 77 10.638 2.795 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.709 0.076 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.168 1.603 5.472 1.00 0.00 H new ATOM 0 HG LEU A 77 8.849 0.914 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.525 0.283 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.699 -0.795 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.876 0.470 4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.090 2.642 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.462 2.920 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.678 3.290 3.108 1.00 0.00 H new