USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HD1:sc= -9.5! C(o=-19!,f=-18!) USER MOD Set 1.2: A 57 CYS SG : rot 44:sc= -3.38! USER MOD Set 1.3: A 60 CYS SG : rot -46:sc= -1.44 USER MOD Set 1.4: A 79 CYS SG : rot 103:sc= -4.52! USER MOD Set 2.1: A 22 HIS : no HE2:sc= -1.76 K(o=-7.1,f=-11!) USER MOD Set 2.2: A 69 MET CE :methyl 163:sc= -5.56! (180deg=-2.35) USER MOD Set 2.3: A 72 LYS NZ :NH3+ 177:sc= 0.204 (180deg=0) USER MOD Set 3.1: A 38 CYS SG : rot -134:sc= -1.03 USER MOD Set 3.2: A 41 CYS SG : rot 178:sc= -0.822 USER MOD Set 3.3: A 64 CYS SG : rot 31:sc= 0.509 USER MOD Set 3.4: A 65 HIS : no HE2:sc= -10.6! C(o=-23!,f=-15!) USER MOD Set 3.5: A 68 HIS : no HD1:sc= -10.9! C(o=-23!,f=-20!) USER MOD Single : A 18 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.29) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.0341 (180deg=-0.24) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 32 TYR OH : rot 30:sc= -1.74 USER MOD Single : A 33 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-3.3!) USER MOD Single : A 36 THR OG1 : rot 164:sc= 0.121 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -123:sc= -0.148 (180deg=-1.26) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0488 K(o=-0.049,f=-0.58) USER MOD Single : A 48 MET CE :methyl -149:sc=-0.00365 (180deg=-0.2) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0557) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0125) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc=-0.00762 (180deg=-0.296) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= -0.37 (180deg=-1.44!) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.259 -2.648 8.100 1.00 0.00 N ATOM 268 CA ASN A 18 6.285 -3.341 8.934 1.00 0.00 C ATOM 269 C ASN A 18 5.082 -3.780 8.106 1.00 0.00 C ATOM 270 O ASN A 18 4.981 -3.456 6.924 1.00 0.00 O ATOM 271 CB ASN A 18 5.831 -2.438 10.083 1.00 0.00 C ATOM 272 CG ASN A 18 6.491 -2.800 11.398 1.00 0.00 C ATOM 273 OD1 ASN A 18 6.519 -3.965 11.793 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.028 -1.799 12.087 1.00 0.00 N ATOM 0 HA ASN A 18 6.761 -4.229 9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.060 -1.401 9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.749 -2.509 10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.486 -1.982 12.980 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.983 -0.847 11.723 1.00 0.00 H new ATOM 281 N TYR A 19 4.171 -4.520 8.730 1.00 0.00 N ATOM 282 CA TYR A 19 2.979 -4.997 8.037 1.00 0.00 C ATOM 283 C TYR A 19 1.729 -4.785 8.885 1.00 0.00 C ATOM 284 O TYR A 19 1.601 -5.343 9.974 1.00 0.00 O ATOM 285 CB TYR A 19 3.112 -6.482 7.675 1.00 0.00 C ATOM 286 CG TYR A 19 4.536 -6.999 7.688 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.479 -6.519 6.788 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.934 -7.969 8.600 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.778 -6.989 6.798 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.231 -8.444 8.616 1.00 0.00 C ATOM 291 CZ TYR A 19 7.149 -7.952 7.712 1.00 0.00 C ATOM 292 OH TYR A 19 8.442 -8.422 7.725 1.00 0.00 O ATOM 0 H TYR A 19 4.234 -4.801 9.708 1.00 0.00 H new ATOM 0 HA TYR A 19 2.882 -4.417 7.119 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.518 -7.070 8.375 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.688 -6.642 6.684 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.192 -5.766 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.217 -8.358 9.308 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.500 -6.604 6.093 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.525 -9.197 9.333 1.00 0.00 H new ATOM 0 HH TYR A 19 8.538 -9.096 8.430 1.00 0.00 H new ATOM 302 N ILE A 20 0.806 -3.981 8.369 1.00 0.00 N ATOM 303 CA ILE A 20 -0.440 -3.698 9.066 1.00 0.00 C ATOM 304 C ILE A 20 -1.393 -4.886 8.963 1.00 0.00 C ATOM 305 O ILE A 20 -1.912 -5.188 7.886 1.00 0.00 O ATOM 306 CB ILE A 20 -1.125 -2.438 8.492 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.284 -1.197 8.785 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.529 -2.277 9.061 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.844 -0.984 7.800 1.00 0.00 C ATOM 0 H ILE A 20 0.899 -3.513 7.467 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.198 -3.519 10.114 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.209 -2.556 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.931 -0.320 8.779 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.132 -1.279 9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.991 -1.383 8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.128 -3.150 8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.473 -2.182 10.145 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.398 -0.085 8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.514 -1.844 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.434 -0.870 6.797 1.00 0.00 H new ATOM 321 N CYS A 21 -1.613 -5.556 10.088 1.00 0.00 N ATOM 322 CA CYS A 21 -2.498 -6.714 10.130 1.00 0.00 C ATOM 323 C CYS A 21 -3.961 -6.287 10.087 1.00 0.00 C ATOM 324 O CYS A 21 -4.352 -5.304 10.717 1.00 0.00 O ATOM 325 CB CYS A 21 -2.232 -7.539 11.390 1.00 0.00 C ATOM 326 SG CYS A 21 -2.654 -9.289 11.228 1.00 0.00 S ATOM 0 H CYS A 21 -1.190 -5.317 10.985 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.293 -7.326 9.252 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.177 -7.453 11.652 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.801 -7.114 12.217 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.392 -9.904 12.343 1.00 0.00 H new ATOM 332 N HIS A 22 -4.764 -7.038 9.344 1.00 0.00 N ATOM 333 CA HIS A 22 -6.188 -6.748 9.217 1.00 0.00 C ATOM 334 C HIS A 22 -6.945 -7.988 8.753 1.00 0.00 C ATOM 335 O HIS A 22 -6.346 -9.035 8.511 1.00 0.00 O ATOM 336 CB HIS A 22 -6.410 -5.593 8.236 1.00 0.00 C ATOM 337 CG HIS A 22 -7.632 -4.781 8.534 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.580 -4.470 7.583 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.060 -4.213 9.688 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.538 -3.747 8.136 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.247 -3.578 9.412 1.00 0.00 N ATOM 0 H HIS A 22 -4.453 -7.855 8.818 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.570 -6.454 10.195 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.537 -4.940 8.252 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.488 -5.995 7.226 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -8.547 -4.754 6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.561 -4.252 10.645 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.410 -3.360 7.630 1.00 0.00 H new ATOM 350 N LYS A 23 -8.265 -7.867 8.632 1.00 0.00 N ATOM 351 CA LYS A 23 -9.106 -8.980 8.197 1.00 0.00 C ATOM 352 C LYS A 23 -8.526 -9.662 6.959 1.00 0.00 C ATOM 353 O LYS A 23 -8.779 -9.238 5.834 1.00 0.00 O ATOM 354 CB LYS A 23 -10.520 -8.484 7.894 1.00 0.00 C ATOM 355 CG LYS A 23 -10.547 -7.179 7.116 1.00 0.00 C ATOM 356 CD LYS A 23 -11.779 -7.081 6.231 1.00 0.00 C ATOM 357 CE LYS A 23 -13.056 -7.060 7.056 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.107 -5.888 7.974 1.00 0.00 N ATOM 0 H LYS A 23 -8.777 -7.007 8.830 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.140 -9.709 9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.051 -9.248 7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.059 -8.351 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.530 -6.340 7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.650 -7.102 6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.722 -6.177 5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.803 -7.926 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.918 -7.036 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.128 -7.979 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.074 -5.775 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.453 -6.040 8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.830 -5.029 7.457 1.00 0.00 H new ATOM 372 N GLY A 24 -7.747 -10.715 7.174 1.00 0.00 N ATOM 373 CA GLY A 24 -7.145 -11.430 6.063 1.00 0.00 C ATOM 374 C GLY A 24 -6.275 -10.540 5.197 1.00 0.00 C ATOM 375 O GLY A 24 -5.925 -10.912 4.077 1.00 0.00 O ATOM 0 H GLY A 24 -7.521 -11.087 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.544 -12.254 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.932 -11.869 5.450 1.00 0.00 H new ATOM 379 N HIS A 25 -5.928 -9.360 5.706 1.00 0.00 N ATOM 380 CA HIS A 25 -5.103 -8.423 4.958 1.00 0.00 C ATOM 381 C HIS A 25 -3.871 -7.988 5.745 1.00 0.00 C ATOM 382 O HIS A 25 -3.947 -7.704 6.941 1.00 0.00 O ATOM 383 CB HIS A 25 -5.932 -7.197 4.554 1.00 0.00 C ATOM 384 CG HIS A 25 -6.073 -7.068 3.076 1.00 0.00 C ATOM 385 ND1 HIS A 25 -7.056 -6.343 2.433 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.332 -7.632 2.103 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.877 -6.499 1.111 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.840 -7.276 0.871 1.00 0.00 N ATOM 0 H HIS A 25 -6.206 -9.033 6.631 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.753 -8.937 4.063 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.922 -7.266 5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.462 -6.297 4.951 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.472 -8.266 2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.497 -6.050 0.350 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.484 -7.558 -0.043 1.00 0.00 H new ATOM 396 N GLU A 26 -2.740 -7.924 5.048 1.00 0.00 N ATOM 397 CA GLU A 26 -1.480 -7.508 5.648 1.00 0.00 C ATOM 398 C GLU A 26 -0.879 -6.362 4.841 1.00 0.00 C ATOM 399 O GLU A 26 0.041 -6.561 4.047 1.00 0.00 O ATOM 400 CB GLU A 26 -0.501 -8.683 5.708 1.00 0.00 C ATOM 401 CG GLU A 26 -0.376 -9.301 7.091 1.00 0.00 C ATOM 402 CD GLU A 26 0.872 -10.150 7.240 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.101 -11.024 6.379 1.00 0.00 O ATOM 404 OE2 GLU A 26 1.619 -9.938 8.218 1.00 0.00 O ATOM 0 H GLU A 26 -2.673 -8.158 4.057 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.670 -7.167 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.824 -9.450 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.482 -8.343 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.363 -8.508 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.254 -9.914 7.291 1.00 0.00 H new ATOM 411 N PHE A 27 -1.419 -5.165 5.042 1.00 0.00 N ATOM 412 CA PHE A 27 -0.957 -3.981 4.325 1.00 0.00 C ATOM 413 C PHE A 27 0.455 -3.597 4.742 1.00 0.00 C ATOM 414 O PHE A 27 0.942 -4.012 5.790 1.00 0.00 O ATOM 415 CB PHE A 27 -1.907 -2.801 4.549 1.00 0.00 C ATOM 416 CG PHE A 27 -3.357 -3.192 4.622 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.041 -3.581 3.483 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.035 -3.164 5.830 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.375 -3.938 3.545 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.369 -3.518 5.900 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.039 -3.904 4.756 1.00 0.00 C ATOM 0 H PHE A 27 -2.180 -4.988 5.698 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.947 -4.227 3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.630 -2.295 5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.775 -2.082 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.526 -3.606 2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.515 -2.862 6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.896 -4.243 2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.886 -3.493 6.848 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.082 -4.179 4.808 1.00 0.00 H new ATOM 431 N ILE A 28 1.111 -2.814 3.896 1.00 0.00 N ATOM 432 CA ILE A 28 2.476 -2.379 4.155 1.00 0.00 C ATOM 433 C ILE A 28 2.611 -0.870 3.992 1.00 0.00 C ATOM 434 O ILE A 28 2.126 -0.297 3.017 1.00 0.00 O ATOM 435 CB ILE A 28 3.462 -3.080 3.206 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.104 -4.567 3.074 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.891 -2.905 3.701 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.496 -5.399 4.276 1.00 0.00 C ATOM 0 H ILE A 28 0.718 -2.466 3.021 1.00 0.00 H new ATOM 0 HA ILE A 28 2.713 -2.648 5.184 1.00 0.00 H new ATOM 0 HB ILE A 28 3.388 -2.622 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.030 -4.660 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.594 -4.972 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.577 -3.407 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.134 -1.843 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.987 -3.339 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.211 -6.438 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.574 -5.338 4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.986 -5.021 5.162 1.00 0.00 H new ATOM 450 N PRO A 29 3.275 -0.201 4.951 1.00 0.00 N ATOM 451 CA PRO A 29 3.467 1.248 4.909 1.00 0.00 C ATOM 452 C PRO A 29 4.452 1.675 3.831 1.00 0.00 C ATOM 453 O PRO A 29 5.632 1.330 3.880 1.00 0.00 O ATOM 454 CB PRO A 29 4.025 1.575 6.291 1.00 0.00 C ATOM 455 CG PRO A 29 4.683 0.320 6.745 1.00 0.00 C ATOM 456 CD PRO A 29 3.889 -0.806 6.147 1.00 0.00 C ATOM 0 HA PRO A 29 2.540 1.769 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.736 2.400 6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.232 1.876 6.976 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.721 0.283 6.415 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.692 0.256 7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.526 -1.651 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.135 -1.177 6.841 1.00 0.00 H new ATOM 464 N THR A 30 3.960 2.435 2.862 1.00 0.00 N ATOM 465 CA THR A 30 4.798 2.916 1.776 1.00 0.00 C ATOM 466 C THR A 30 4.220 4.189 1.166 1.00 0.00 C ATOM 467 O THR A 30 3.052 4.517 1.379 1.00 0.00 O ATOM 468 CB THR A 30 4.944 1.840 0.699 1.00 0.00 C ATOM 469 OG1 THR A 30 5.838 2.264 -0.314 1.00 0.00 O ATOM 470 CG2 THR A 30 3.634 1.477 0.035 1.00 0.00 C ATOM 0 H THR A 30 2.985 2.731 2.807 1.00 0.00 H new ATOM 0 HA THR A 30 5.782 3.145 2.185 1.00 0.00 H new ATOM 0 HB THR A 30 5.325 0.960 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.920 1.562 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.809 0.709 -0.718 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.939 1.099 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.210 2.361 -0.440 1.00 0.00 H new ATOM 478 N LEU A 31 5.045 4.902 0.405 1.00 0.00 N ATOM 479 CA LEU A 31 4.617 6.138 -0.238 1.00 0.00 C ATOM 480 C LEU A 31 4.540 5.957 -1.750 1.00 0.00 C ATOM 481 O LEU A 31 5.204 5.089 -2.314 1.00 0.00 O ATOM 482 CB LEU A 31 5.578 7.276 0.107 1.00 0.00 C ATOM 483 CG LEU A 31 5.732 7.563 1.602 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.611 8.783 1.823 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.370 7.762 2.250 1.00 0.00 C ATOM 0 H LEU A 31 6.014 4.644 0.219 1.00 0.00 H new ATOM 0 HA LEU A 31 3.624 6.391 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.559 7.040 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.234 8.184 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 31 6.213 6.704 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.709 8.972 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.597 8.604 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.158 9.650 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.499 7.965 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.862 8.604 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.771 6.860 2.123 1.00 0.00 H new ATOM 497 N TYR A 32 3.724 6.779 -2.400 1.00 0.00 N ATOM 498 CA TYR A 32 3.560 6.701 -3.846 1.00 0.00 C ATOM 499 C TYR A 32 3.536 8.090 -4.474 1.00 0.00 C ATOM 500 O TYR A 32 2.497 8.747 -4.511 1.00 0.00 O ATOM 501 CB TYR A 32 2.274 5.948 -4.194 1.00 0.00 C ATOM 502 CG TYR A 32 2.332 4.472 -3.872 1.00 0.00 C ATOM 503 CD1 TYR A 32 3.301 3.656 -4.440 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.417 3.897 -3.000 1.00 0.00 C ATOM 505 CE1 TYR A 32 3.356 2.305 -4.148 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.466 2.546 -2.703 1.00 0.00 C ATOM 507 CZ TYR A 32 2.438 1.757 -3.280 1.00 0.00 C ATOM 508 OH TYR A 32 2.490 0.413 -2.986 1.00 0.00 O ATOM 0 H TYR A 32 3.167 7.505 -1.950 1.00 0.00 H new ATOM 0 HA TYR A 32 4.414 6.158 -4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.442 6.397 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.066 6.072 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.023 4.083 -5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.655 4.514 -2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.115 1.683 -4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.747 2.113 -2.023 1.00 0.00 H new ATOM 0 HH TYR A 32 3.417 0.101 -3.046 1.00 0.00 H new ATOM 518 N HIS A 33 4.687 8.529 -4.971 1.00 0.00 N ATOM 519 CA HIS A 33 4.797 9.837 -5.604 1.00 0.00 C ATOM 520 C HIS A 33 4.038 9.872 -6.929 1.00 0.00 C ATOM 521 O HIS A 33 3.775 10.943 -7.475 1.00 0.00 O ATOM 522 CB HIS A 33 6.267 10.193 -5.838 1.00 0.00 C ATOM 523 CG HIS A 33 7.092 10.173 -4.587 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.567 9.010 -4.016 1.00 0.00 N ATOM 525 CD2 HIS A 33 7.529 11.182 -3.797 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.258 9.305 -2.929 1.00 0.00 C ATOM 527 NE2 HIS A 33 8.250 10.617 -2.776 1.00 0.00 N ATOM 0 H HIS A 33 5.557 7.998 -4.947 1.00 0.00 H new ATOM 0 HA HIS A 33 4.353 10.572 -4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.693 9.492 -6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.326 11.184 -6.287 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.344 12.236 -3.944 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.746 8.595 -2.277 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.706 11.128 -2.020 1.00 0.00 H new ATOM 536 N PHE A 34 3.683 8.694 -7.440 1.00 0.00 N ATOM 537 CA PHE A 34 2.952 8.595 -8.699 1.00 0.00 C ATOM 538 C PHE A 34 1.473 8.314 -8.443 1.00 0.00 C ATOM 539 O PHE A 34 1.095 7.867 -7.360 1.00 0.00 O ATOM 540 CB PHE A 34 3.547 7.498 -9.587 1.00 0.00 C ATOM 541 CG PHE A 34 4.025 6.290 -8.832 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.296 6.259 -8.281 1.00 0.00 C ATOM 543 CD2 PHE A 34 3.204 5.185 -8.675 1.00 0.00 C ATOM 544 CE1 PHE A 34 5.738 5.148 -7.586 1.00 0.00 C ATOM 545 CE2 PHE A 34 3.639 4.072 -7.981 1.00 0.00 C ATOM 546 CZ PHE A 34 4.909 4.055 -7.437 1.00 0.00 C ATOM 0 H PHE A 34 3.890 7.797 -7.001 1.00 0.00 H new ATOM 0 HA PHE A 34 3.043 9.550 -9.216 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.796 7.186 -10.313 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.382 7.915 -10.151 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.949 7.112 -8.396 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.211 5.194 -9.100 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.731 5.136 -7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.988 3.218 -7.864 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.253 3.186 -6.895 1.00 0.00 H new ATOM 556 N PRO A 35 0.613 8.579 -9.439 1.00 0.00 N ATOM 557 CA PRO A 35 -0.832 8.357 -9.318 1.00 0.00 C ATOM 558 C PRO A 35 -1.176 6.909 -8.981 1.00 0.00 C ATOM 559 O PRO A 35 -1.030 6.015 -9.815 1.00 0.00 O ATOM 560 CB PRO A 35 -1.382 8.731 -10.703 1.00 0.00 C ATOM 561 CG PRO A 35 -0.199 8.725 -11.611 1.00 0.00 C ATOM 562 CD PRO A 35 0.974 9.117 -10.761 1.00 0.00 C ATOM 0 HA PRO A 35 -1.259 8.946 -8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.135 8.016 -11.033 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.859 9.711 -10.685 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.050 7.739 -12.052 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.336 9.425 -12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.904 8.687 -11.132 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.111 10.198 -10.734 1.00 0.00 H new ATOM 570 N THR A 36 -1.645 6.691 -7.757 1.00 0.00 N ATOM 571 CA THR A 36 -2.026 5.360 -7.304 1.00 0.00 C ATOM 572 C THR A 36 -3.488 5.357 -6.868 1.00 0.00 C ATOM 573 O THR A 36 -3.930 6.247 -6.141 1.00 0.00 O ATOM 574 CB THR A 36 -1.112 4.909 -6.155 1.00 0.00 C ATOM 575 OG1 THR A 36 0.138 4.474 -6.656 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.687 3.779 -5.324 1.00 0.00 C ATOM 0 H THR A 36 -1.770 7.424 -7.059 1.00 0.00 H new ATOM 0 HA THR A 36 -1.910 4.656 -8.128 1.00 0.00 H new ATOM 0 HB THR A 36 -1.007 5.785 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.789 4.439 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.985 3.516 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.631 4.097 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.859 2.911 -5.960 1.00 0.00 H new ATOM 584 N ASN A 37 -4.239 4.362 -7.326 1.00 0.00 N ATOM 585 CA ASN A 37 -5.654 4.259 -6.992 1.00 0.00 C ATOM 586 C ASN A 37 -5.880 3.358 -5.782 1.00 0.00 C ATOM 587 O ASN A 37 -5.639 2.151 -5.838 1.00 0.00 O ATOM 588 CB ASN A 37 -6.441 3.726 -8.191 1.00 0.00 C ATOM 589 CG ASN A 37 -6.582 4.757 -9.293 1.00 0.00 C ATOM 590 OD1 ASN A 37 -7.524 5.550 -9.300 1.00 0.00 O ATOM 591 ND2 ASN A 37 -5.645 4.750 -10.232 1.00 0.00 N ATOM 0 H ASN A 37 -3.892 3.616 -7.929 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.009 5.258 -6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.941 2.842 -8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.432 3.412 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.687 5.420 -11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.882 4.075 -10.186 1.00 0.00 H new ATOM 598 N CYS A 38 -6.359 3.952 -4.692 1.00 0.00 N ATOM 599 CA CYS A 38 -6.638 3.203 -3.471 1.00 0.00 C ATOM 600 C CYS A 38 -7.665 2.106 -3.756 1.00 0.00 C ATOM 601 O CYS A 38 -8.347 2.136 -4.781 1.00 0.00 O ATOM 602 CB CYS A 38 -7.126 4.165 -2.372 1.00 0.00 C ATOM 603 SG CYS A 38 -8.690 3.692 -1.553 1.00 0.00 S ATOM 0 H CYS A 38 -6.562 4.950 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.726 2.722 -3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.348 4.246 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.250 5.156 -2.809 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.464 4.732 -1.462 1.00 0.00 H new ATOM 608 N GLU A 39 -7.765 1.137 -2.854 1.00 0.00 N ATOM 609 CA GLU A 39 -8.702 0.030 -3.023 1.00 0.00 C ATOM 610 C GLU A 39 -9.993 0.264 -2.239 1.00 0.00 C ATOM 611 O GLU A 39 -11.075 -0.127 -2.679 1.00 0.00 O ATOM 612 CB GLU A 39 -8.052 -1.281 -2.578 1.00 0.00 C ATOM 613 CG GLU A 39 -8.179 -2.400 -3.600 1.00 0.00 C ATOM 614 CD GLU A 39 -9.619 -2.669 -3.994 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.108 -2.016 -4.940 1.00 0.00 O ATOM 616 OE2 GLU A 39 -10.257 -3.534 -3.357 1.00 0.00 O ATOM 0 H GLU A 39 -7.210 1.094 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.957 -0.032 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.996 -1.103 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.506 -1.603 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.605 -2.141 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.741 -3.311 -3.192 1.00 0.00 H new ATOM 623 N ALA A 40 -9.873 0.895 -1.077 1.00 0.00 N ATOM 624 CA ALA A 40 -11.030 1.169 -0.233 1.00 0.00 C ATOM 625 C ALA A 40 -12.049 2.056 -0.948 1.00 0.00 C ATOM 626 O ALA A 40 -12.997 1.558 -1.555 1.00 0.00 O ATOM 627 CB ALA A 40 -10.585 1.803 1.079 1.00 0.00 C ATOM 0 H ALA A 40 -8.986 1.227 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.521 0.221 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.458 2.003 1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.914 1.122 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.064 2.738 0.873 1.00 0.00 H new ATOM 633 N CYS A 41 -11.855 3.372 -0.868 1.00 0.00 N ATOM 634 CA CYS A 41 -12.764 4.317 -1.507 1.00 0.00 C ATOM 635 C CYS A 41 -12.461 4.449 -2.996 1.00 0.00 C ATOM 636 O CYS A 41 -11.715 3.650 -3.563 1.00 0.00 O ATOM 637 CB CYS A 41 -12.680 5.686 -0.821 1.00 0.00 C ATOM 638 SG CYS A 41 -11.152 6.616 -1.173 1.00 0.00 S ATOM 0 H CYS A 41 -11.078 3.805 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.779 3.933 -1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.535 6.287 -1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.764 5.544 0.256 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.202 7.773 -0.582 1.00 0.00 H new ATOM 643 N MET A 42 -13.049 5.461 -3.626 1.00 0.00 N ATOM 644 CA MET A 42 -12.844 5.697 -5.051 1.00 0.00 C ATOM 645 C MET A 42 -11.832 6.814 -5.287 1.00 0.00 C ATOM 646 O MET A 42 -11.183 6.863 -6.331 1.00 0.00 O ATOM 647 CB MET A 42 -14.173 6.045 -5.726 1.00 0.00 C ATOM 648 CG MET A 42 -15.224 4.955 -5.594 1.00 0.00 C ATOM 649 SD MET A 42 -15.023 3.644 -6.815 1.00 0.00 S ATOM 650 CE MET A 42 -14.022 2.476 -5.896 1.00 0.00 C ATOM 0 H MET A 42 -13.671 6.130 -3.173 1.00 0.00 H new ATOM 0 HA MET A 42 -12.447 4.781 -5.489 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.561 6.967 -5.293 1.00 0.00 H new ATOM 0 HB3 MET A 42 -13.994 6.240 -6.783 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.172 4.525 -4.594 1.00 0.00 H new ATOM 0 HG3 MET A 42 -16.215 5.396 -5.701 1.00 0.00 H new ATOM 0 HE1 MET A 42 -13.101 2.277 -6.443 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.780 2.894 -4.919 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.575 1.546 -5.766 1.00 0.00 H new ATOM 660 N LYS A 43 -11.701 7.713 -4.313 1.00 0.00 N ATOM 661 CA LYS A 43 -10.766 8.828 -4.423 1.00 0.00 C ATOM 662 C LYS A 43 -9.361 8.331 -4.759 1.00 0.00 C ATOM 663 O LYS A 43 -9.006 7.193 -4.455 1.00 0.00 O ATOM 664 CB LYS A 43 -10.742 9.632 -3.121 1.00 0.00 C ATOM 665 CG LYS A 43 -11.597 10.888 -3.167 1.00 0.00 C ATOM 666 CD LYS A 43 -13.079 10.555 -3.101 1.00 0.00 C ATOM 667 CE LYS A 43 -13.872 11.674 -2.444 1.00 0.00 C ATOM 668 NZ LYS A 43 -15.170 11.189 -1.900 1.00 0.00 N ATOM 0 H LYS A 43 -12.230 7.690 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.104 9.475 -5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.087 8.997 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.713 9.911 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.332 11.541 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.387 11.439 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.459 10.381 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.221 9.630 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.282 12.113 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.056 12.464 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.680 11.982 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.744 10.793 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.994 10.453 -1.187 1.00 0.00 H new ATOM 682 N PRO A 44 -8.540 9.182 -5.398 1.00 0.00 N ATOM 683 CA PRO A 44 -7.171 8.822 -5.780 1.00 0.00 C ATOM 684 C PRO A 44 -6.240 8.706 -4.578 1.00 0.00 C ATOM 685 O PRO A 44 -6.608 9.059 -3.457 1.00 0.00 O ATOM 686 CB PRO A 44 -6.736 9.980 -6.680 1.00 0.00 C ATOM 687 CG PRO A 44 -7.563 11.136 -6.233 1.00 0.00 C ATOM 688 CD PRO A 44 -8.883 10.559 -5.804 1.00 0.00 C ATOM 0 HA PRO A 44 -7.130 7.847 -6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.672 10.188 -6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.910 9.752 -7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.082 11.665 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.696 11.856 -7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.319 11.124 -4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.609 10.569 -6.617 1.00 0.00 H new ATOM 696 N LEU A 45 -5.031 8.211 -4.821 1.00 0.00 N ATOM 697 CA LEU A 45 -4.041 8.048 -3.765 1.00 0.00 C ATOM 698 C LEU A 45 -2.639 8.358 -4.285 1.00 0.00 C ATOM 699 O LEU A 45 -2.017 7.527 -4.944 1.00 0.00 O ATOM 700 CB LEU A 45 -4.086 6.623 -3.209 1.00 0.00 C ATOM 701 CG LEU A 45 -3.328 6.417 -1.896 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.045 5.411 -1.012 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.906 5.958 -2.169 1.00 0.00 C ATOM 0 H LEU A 45 -4.713 7.915 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.279 8.750 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.128 6.341 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.677 5.944 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.292 7.372 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.488 5.280 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.047 5.775 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.115 4.455 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.382 5.816 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.927 5.016 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.388 6.712 -2.762 1.00 0.00 H new ATOM 715 N TRP A 46 -2.145 9.560 -3.989 1.00 0.00 N ATOM 716 CA TRP A 46 -0.814 9.971 -4.433 1.00 0.00 C ATOM 717 C TRP A 46 -0.509 11.405 -4.009 1.00 0.00 C ATOM 718 O TRP A 46 -1.302 12.046 -3.322 1.00 0.00 O ATOM 719 CB TRP A 46 -0.689 9.851 -5.953 1.00 0.00 C ATOM 720 CG TRP A 46 -1.684 10.688 -6.700 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.042 10.669 -6.561 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.397 11.669 -7.704 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.616 11.579 -7.416 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.628 12.205 -8.128 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.218 12.149 -8.284 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -2.711 13.194 -9.103 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.303 13.130 -9.252 1.00 0.00 C ATOM 728 CH2 TRP A 46 -1.542 13.644 -9.654 1.00 0.00 C ATOM 0 H TRP A 46 -2.645 10.264 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.092 9.305 -3.960 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.318 10.143 -6.252 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.816 8.807 -6.239 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.586 10.032 -5.879 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.616 11.759 -7.506 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.742 11.759 -7.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.665 13.593 -9.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.601 13.507 -9.707 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.576 14.411 -10.414 1.00 0.00 H new ATOM 739 N HIS A 47 0.652 11.900 -4.432 1.00 0.00 N ATOM 740 CA HIS A 47 1.077 13.257 -4.109 1.00 0.00 C ATOM 741 C HIS A 47 2.432 13.559 -4.744 1.00 0.00 C ATOM 742 O HIS A 47 3.317 12.703 -4.774 1.00 0.00 O ATOM 743 CB HIS A 47 1.153 13.447 -2.592 1.00 0.00 C ATOM 744 CG HIS A 47 0.457 14.683 -2.109 1.00 0.00 C ATOM 745 ND1 HIS A 47 -0.614 14.653 -1.241 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.686 15.990 -2.376 1.00 0.00 C ATOM 747 CE1 HIS A 47 -1.015 15.888 -0.996 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.241 16.717 -1.673 1.00 0.00 N ATOM 0 H HIS A 47 1.317 11.377 -5.002 1.00 0.00 H new ATOM 0 HA HIS A 47 0.340 13.951 -4.512 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.714 12.578 -2.102 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.200 13.488 -2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.455 16.387 -3.022 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.835 16.171 -0.353 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.320 17.734 -1.673 1.00 0.00 H new ATOM 757 N MET A 48 2.586 14.775 -5.254 1.00 0.00 N ATOM 758 CA MET A 48 3.832 15.182 -5.894 1.00 0.00 C ATOM 759 C MET A 48 4.810 15.763 -4.878 1.00 0.00 C ATOM 760 O MET A 48 6.010 15.494 -4.932 1.00 0.00 O ATOM 761 CB MET A 48 3.553 16.209 -6.994 1.00 0.00 C ATOM 762 CG MET A 48 2.484 15.769 -7.979 1.00 0.00 C ATOM 763 SD MET A 48 1.990 17.091 -9.103 1.00 0.00 S ATOM 764 CE MET A 48 1.005 18.114 -8.012 1.00 0.00 C ATOM 0 H MET A 48 1.865 15.496 -5.237 1.00 0.00 H new ATOM 0 HA MET A 48 4.285 14.295 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.247 17.148 -6.533 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.477 16.407 -7.538 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.855 14.924 -8.559 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.610 15.419 -7.429 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.220 18.607 -8.586 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.553 17.492 -7.239 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.641 18.866 -7.546 1.00 0.00 H new ATOM 774 N PHE A 49 4.291 16.565 -3.954 1.00 0.00 N ATOM 775 CA PHE A 49 5.124 17.186 -2.930 1.00 0.00 C ATOM 776 C PHE A 49 5.380 16.228 -1.771 1.00 0.00 C ATOM 777 O PHE A 49 6.462 15.648 -1.663 1.00 0.00 O ATOM 778 CB PHE A 49 4.462 18.466 -2.413 1.00 0.00 C ATOM 779 CG PHE A 49 4.458 19.584 -3.416 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.645 20.177 -3.815 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.269 20.043 -3.959 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.645 21.207 -4.739 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.263 21.071 -4.883 1.00 0.00 C ATOM 784 CZ PHE A 49 4.452 21.653 -5.273 1.00 0.00 C ATOM 0 H PHE A 49 3.300 16.800 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 49 6.083 17.436 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.435 18.244 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.981 18.797 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.580 19.832 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.335 19.592 -3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.577 21.662 -5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.329 21.418 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.450 22.456 -5.995 1.00 0.00 H new ATOM 794 N LYS A 50 4.385 16.069 -0.907 1.00 0.00 N ATOM 795 CA LYS A 50 4.509 15.184 0.246 1.00 0.00 C ATOM 796 C LYS A 50 3.550 13.999 0.135 1.00 0.00 C ATOM 797 O LYS A 50 2.377 14.108 0.490 1.00 0.00 O ATOM 798 CB LYS A 50 4.233 15.956 1.537 1.00 0.00 C ATOM 799 CG LYS A 50 5.203 17.099 1.781 1.00 0.00 C ATOM 800 CD LYS A 50 6.491 16.610 2.424 1.00 0.00 C ATOM 801 CE LYS A 50 7.398 17.767 2.807 1.00 0.00 C ATOM 802 NZ LYS A 50 6.879 18.516 3.984 1.00 0.00 N ATOM 0 H LYS A 50 3.484 16.541 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 50 5.529 14.800 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.218 16.353 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.278 15.266 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.431 17.592 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.734 17.844 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.255 16.022 3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.015 15.949 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.395 17.388 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.497 18.446 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.596 19.197 4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.013 19.026 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.664 17.849 4.753 1.00 0.00 H new ATOM 816 N PRO A 51 4.037 12.845 -0.359 1.00 0.00 N ATOM 817 CA PRO A 51 3.209 11.643 -0.507 1.00 0.00 C ATOM 818 C PRO A 51 2.704 11.124 0.837 1.00 0.00 C ATOM 819 O PRO A 51 3.496 10.833 1.734 1.00 0.00 O ATOM 820 CB PRO A 51 4.156 10.624 -1.155 1.00 0.00 C ATOM 821 CG PRO A 51 5.527 11.122 -0.850 1.00 0.00 C ATOM 822 CD PRO A 51 5.422 12.620 -0.806 1.00 0.00 C ATOM 0 HA PRO A 51 2.313 11.838 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.999 9.625 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.990 10.559 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.883 10.728 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.237 10.803 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.144 13.055 -0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.608 13.066 -1.783 1.00 0.00 H new ATOM 830 N PRO A 52 1.377 11.001 0.996 1.00 0.00 N ATOM 831 CA PRO A 52 0.772 10.515 2.241 1.00 0.00 C ATOM 832 C PRO A 52 1.113 9.053 2.515 1.00 0.00 C ATOM 833 O PRO A 52 1.419 8.295 1.593 1.00 0.00 O ATOM 834 CB PRO A 52 -0.732 10.677 2.002 1.00 0.00 C ATOM 835 CG PRO A 52 -0.885 10.681 0.520 1.00 0.00 C ATOM 836 CD PRO A 52 0.359 11.324 -0.020 1.00 0.00 C ATOM 0 HA PRO A 52 1.136 11.063 3.110 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.294 9.861 2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.105 11.603 2.440 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.999 9.667 0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.774 11.237 0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.626 10.924 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.236 12.401 -0.138 1.00 0.00 H new ATOM 844 N PRO A 53 1.067 8.637 3.791 1.00 0.00 N ATOM 845 CA PRO A 53 1.371 7.257 4.182 1.00 0.00 C ATOM 846 C PRO A 53 0.349 6.264 3.641 1.00 0.00 C ATOM 847 O PRO A 53 -0.685 6.025 4.262 1.00 0.00 O ATOM 848 CB PRO A 53 1.323 7.295 5.711 1.00 0.00 C ATOM 849 CG PRO A 53 0.464 8.467 6.038 1.00 0.00 C ATOM 850 CD PRO A 53 0.710 9.474 4.950 1.00 0.00 C ATOM 0 HA PRO A 53 2.330 6.925 3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.905 6.373 6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.321 7.406 6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.587 8.182 6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.719 8.878 7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.176 10.078 4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.513 10.162 5.212 1.00 0.00 H new ATOM 858 N ALA A 54 0.646 5.687 2.481 1.00 0.00 N ATOM 859 CA ALA A 54 -0.245 4.717 1.860 1.00 0.00 C ATOM 860 C ALA A 54 0.094 3.303 2.313 1.00 0.00 C ATOM 861 O ALA A 54 1.216 3.032 2.742 1.00 0.00 O ATOM 862 CB ALA A 54 -0.168 4.824 0.345 1.00 0.00 C ATOM 0 H ALA A 54 1.498 5.875 1.953 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.265 4.938 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.839 4.093 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.463 5.827 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.853 4.629 0.018 1.00 0.00 H new ATOM 868 N LEU A 55 -0.880 2.405 2.219 1.00 0.00 N ATOM 869 CA LEU A 55 -0.677 1.021 2.628 1.00 0.00 C ATOM 870 C LEU A 55 -0.857 0.067 1.452 1.00 0.00 C ATOM 871 O LEU A 55 -1.945 -0.040 0.888 1.00 0.00 O ATOM 872 CB LEU A 55 -1.640 0.654 3.757 1.00 0.00 C ATOM 873 CG LEU A 55 -1.667 1.640 4.926 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.621 1.159 6.008 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.266 1.828 5.491 1.00 0.00 C ATOM 0 H LEU A 55 -1.814 2.610 1.865 1.00 0.00 H new ATOM 0 HA LEU A 55 0.347 0.924 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.646 0.574 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.372 -0.331 4.138 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.024 2.603 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.627 1.873 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.626 1.073 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.295 0.186 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.300 2.532 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.116 0.870 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.391 2.217 4.713 1.00 0.00 H new ATOM 887 N GLU A 56 0.220 -0.623 1.090 1.00 0.00 N ATOM 888 CA GLU A 56 0.189 -1.569 -0.019 1.00 0.00 C ATOM 889 C GLU A 56 0.088 -3.005 0.489 1.00 0.00 C ATOM 890 O GLU A 56 0.767 -3.386 1.440 1.00 0.00 O ATOM 891 CB GLU A 56 1.442 -1.415 -0.881 1.00 0.00 C ATOM 892 CG GLU A 56 1.360 -2.150 -2.210 1.00 0.00 C ATOM 893 CD GLU A 56 2.663 -2.832 -2.580 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.705 -2.146 -2.606 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.639 -4.052 -2.845 1.00 0.00 O ATOM 0 H GLU A 56 1.127 -0.544 1.550 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.693 -1.351 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.614 -0.356 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.304 -1.783 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.566 -2.895 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.088 -1.445 -2.995 1.00 0.00 H new ATOM 902 N CYS A 57 -0.759 -3.798 -0.158 1.00 0.00 N ATOM 903 CA CYS A 57 -0.941 -5.192 0.224 1.00 0.00 C ATOM 904 C CYS A 57 0.212 -6.045 -0.285 1.00 0.00 C ATOM 905 O CYS A 57 0.625 -5.921 -1.438 1.00 0.00 O ATOM 906 CB CYS A 57 -2.262 -5.732 -0.327 1.00 0.00 C ATOM 907 SG CYS A 57 -2.666 -7.418 0.222 1.00 0.00 S ATOM 0 H CYS A 57 -1.330 -3.499 -0.949 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.963 -5.241 1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.068 -5.062 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.222 -5.717 -1.416 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.425 -7.529 1.495 1.00 0.00 H new ATOM 912 N ARG A 58 0.724 -6.916 0.575 1.00 0.00 N ATOM 913 CA ARG A 58 1.823 -7.794 0.202 1.00 0.00 C ATOM 914 C ARG A 58 1.298 -9.159 -0.230 1.00 0.00 C ATOM 915 O ARG A 58 1.976 -10.175 -0.076 1.00 0.00 O ATOM 916 CB ARG A 58 2.803 -7.944 1.369 1.00 0.00 C ATOM 917 CG ARG A 58 2.184 -8.568 2.610 1.00 0.00 C ATOM 918 CD ARG A 58 3.158 -8.576 3.778 1.00 0.00 C ATOM 919 NE ARG A 58 3.341 -9.917 4.331 1.00 0.00 N ATOM 920 CZ ARG A 58 4.146 -10.835 3.801 1.00 0.00 C ATOM 921 NH1 ARG A 58 4.838 -10.566 2.701 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.257 -12.026 4.372 1.00 0.00 N ATOM 0 H ARG A 58 0.396 -7.033 1.534 1.00 0.00 H new ATOM 0 HA ARG A 58 2.350 -7.347 -0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.646 -8.555 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.201 -6.962 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.287 -8.014 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.873 -9.589 2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.121 -8.185 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.793 -7.909 4.559 1.00 0.00 H new ATOM 0 HE ARG A 58 2.821 -10.164 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.755 -9.652 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.453 -11.274 2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.726 -12.238 5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.874 -12.730 3.967 1.00 0.00 H new ATOM 936 N ARG A 59 0.081 -9.174 -0.774 1.00 0.00 N ATOM 937 CA ARG A 59 -0.541 -10.414 -1.231 1.00 0.00 C ATOM 938 C ARG A 59 -1.205 -10.220 -2.595 1.00 0.00 C ATOM 939 O ARG A 59 -0.699 -10.693 -3.612 1.00 0.00 O ATOM 940 CB ARG A 59 -1.576 -10.918 -0.212 1.00 0.00 C ATOM 941 CG ARG A 59 -1.496 -10.249 1.153 1.00 0.00 C ATOM 942 CD ARG A 59 -0.427 -10.873 2.024 1.00 0.00 C ATOM 943 NE ARG A 59 -0.634 -12.309 2.207 1.00 0.00 N ATOM 944 CZ ARG A 59 0.212 -13.102 2.861 1.00 0.00 C ATOM 945 NH1 ARG A 59 1.323 -12.606 3.393 1.00 0.00 N ATOM 946 NH2 ARG A 59 -0.052 -14.396 2.982 1.00 0.00 N ATOM 0 H ARG A 59 -0.492 -8.341 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 59 0.246 -11.162 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.575 -10.763 -0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.447 -11.993 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.286 -9.187 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.462 -10.326 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.551 -10.703 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.420 -10.381 2.997 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.476 -12.727 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.532 -11.612 3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.967 -13.219 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.903 -14.783 2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.596 -15.004 3.483 1.00 0.00 H new ATOM 960 N CYS A 60 -2.341 -9.521 -2.612 1.00 0.00 N ATOM 961 CA CYS A 60 -3.068 -9.272 -3.856 1.00 0.00 C ATOM 962 C CYS A 60 -2.609 -7.975 -4.525 1.00 0.00 C ATOM 963 O CYS A 60 -3.048 -7.650 -5.629 1.00 0.00 O ATOM 964 CB CYS A 60 -4.579 -9.218 -3.597 1.00 0.00 C ATOM 965 SG CYS A 60 -5.145 -7.724 -2.717 1.00 0.00 S ATOM 0 H CYS A 60 -2.776 -9.119 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.850 -10.099 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.101 -9.281 -4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.867 -10.096 -3.018 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.367 -7.498 -1.700 1.00 0.00 H new ATOM 970 N HIS A 61 -1.726 -7.238 -3.855 1.00 0.00 N ATOM 971 CA HIS A 61 -1.210 -5.980 -4.391 1.00 0.00 C ATOM 972 C HIS A 61 -2.312 -4.929 -4.496 1.00 0.00 C ATOM 973 O HIS A 61 -2.980 -4.813 -5.524 1.00 0.00 O ATOM 974 CB HIS A 61 -0.570 -6.207 -5.764 1.00 0.00 C ATOM 975 CG HIS A 61 0.913 -6.401 -5.705 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.519 -7.323 -4.878 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.915 -5.785 -6.376 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.829 -7.265 -5.042 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.095 -6.340 -5.947 1.00 0.00 N ATOM 0 H HIS A 61 -1.353 -7.490 -2.940 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.452 -5.610 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.025 -7.082 -6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.792 -5.354 -6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.806 -5.002 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.558 -7.871 -4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.026 -6.080 -6.274 1.00 0.00 H new ATOM 988 N ILE A 62 -2.483 -4.156 -3.429 1.00 0.00 N ATOM 989 CA ILE A 62 -3.488 -3.100 -3.392 1.00 0.00 C ATOM 990 C ILE A 62 -3.049 -1.985 -2.454 1.00 0.00 C ATOM 991 O ILE A 62 -2.510 -2.247 -1.380 1.00 0.00 O ATOM 992 CB ILE A 62 -4.864 -3.624 -2.935 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.779 -4.230 -1.534 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.392 -4.648 -3.923 1.00 0.00 C ATOM 995 CD1 ILE A 62 -6.105 -4.246 -0.804 1.00 0.00 C ATOM 0 H ILE A 62 -1.935 -4.242 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.586 -2.720 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.555 -2.782 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.402 -5.250 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.056 -3.666 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.364 -5.009 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.495 -4.186 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.696 -5.485 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.972 -4.689 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.474 -3.226 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.826 -4.835 -1.372 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.267 -0.741 -2.860 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.872 0.390 -2.035 1.00 0.00 C ATOM 1009 C LYS A 63 -4.071 1.017 -1.336 1.00 0.00 C ATOM 1010 O LYS A 63 -5.180 1.026 -1.867 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.146 1.446 -2.869 1.00 0.00 C ATOM 1012 CG LYS A 63 -1.234 0.863 -3.937 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.925 0.796 -5.292 1.00 0.00 C ATOM 1014 CE LYS A 63 -1.964 -0.626 -5.830 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.602 -1.137 -6.150 1.00 0.00 N ATOM 0 H LYS A 63 -3.710 -0.492 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.191 0.011 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.885 2.089 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.555 2.077 -2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.333 1.471 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.918 -0.137 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.941 1.180 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.403 1.439 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.433 -1.279 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.584 -0.658 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.681 -2.027 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.093 -0.434 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.079 -1.307 -5.267 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.829 1.543 -0.141 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.875 2.179 0.652 1.00 0.00 C ATOM 1031 C CYS A 64 -4.261 3.137 1.669 1.00 0.00 C ATOM 1032 O CYS A 64 -3.439 2.731 2.490 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.702 1.122 1.385 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.823 0.175 0.329 1.00 0.00 S ATOM 0 H CYS A 64 -2.911 1.541 0.303 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.523 2.739 -0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.023 0.430 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.286 1.613 2.164 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.316 0.077 -0.864 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.658 4.407 1.612 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.128 5.412 2.541 1.00 0.00 C ATOM 1042 C HIS A 65 -4.136 4.890 3.965 1.00 0.00 C ATOM 1043 O HIS A 65 -5.123 4.311 4.421 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.922 6.735 2.514 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.940 6.846 1.425 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.957 7.811 0.440 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -7.021 6.083 1.214 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -7.048 7.596 -0.321 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.725 6.550 0.118 1.00 0.00 N ATOM 0 H HIS A 65 -5.338 4.765 0.941 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.109 5.610 2.208 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.425 6.857 3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.217 7.561 2.416 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.269 8.553 0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.302 5.229 1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.330 8.197 -1.173 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.048 5.130 4.675 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.949 4.719 6.064 1.00 0.00 C ATOM 1059 C LYS A 66 -4.173 5.220 6.822 1.00 0.00 C ATOM 1060 O LYS A 66 -4.627 4.600 7.784 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.666 5.266 6.695 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.543 4.972 8.182 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.328 4.107 8.488 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.694 2.913 9.355 1.00 0.00 C ATOM 1065 NZ LYS A 66 -1.351 3.327 10.624 1.00 0.00 N ATOM 0 H LYS A 66 -2.222 5.607 4.313 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.912 3.631 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.807 4.840 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.628 6.345 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.470 5.910 8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.445 4.468 8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.115 3.758 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.428 4.707 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.361 2.253 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.205 2.341 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.235 2.577 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.914 4.204 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.364 3.489 10.454 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.698 6.360 6.372 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.869 6.971 6.987 1.00 0.00 C ATOM 1081 C ASP A 67 -7.022 5.978 7.126 1.00 0.00 C ATOM 1082 O ASP A 67 -7.651 5.900 8.180 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.324 8.179 6.166 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.367 9.350 6.279 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -5.077 9.770 7.419 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -4.908 9.845 5.228 1.00 0.00 O ATOM 0 H ASP A 67 -4.325 6.880 5.578 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.583 7.294 7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.417 7.889 5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.314 8.489 6.500 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.310 5.222 6.063 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.412 4.249 6.115 1.00 0.00 C ATOM 1093 C HIS A 68 -8.260 3.310 7.308 1.00 0.00 C ATOM 1094 O HIS A 68 -9.181 3.161 8.113 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.507 3.426 4.825 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.117 4.175 3.684 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.111 5.120 3.822 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.794 4.161 2.370 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.349 5.647 2.611 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.574 5.098 1.696 1.00 0.00 N ATOM 0 H HIS A 68 -6.811 5.260 5.174 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.332 4.823 6.226 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.508 3.095 4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.097 2.530 5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.049 3.524 1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.078 6.418 2.412 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.551 5.315 0.700 1.00 0.00 H new ATOM 1108 N MET A 69 -7.096 2.679 7.418 1.00 0.00 N ATOM 1109 CA MET A 69 -6.831 1.754 8.515 1.00 0.00 C ATOM 1110 C MET A 69 -6.813 2.487 9.852 1.00 0.00 C ATOM 1111 O MET A 69 -7.393 2.023 10.834 1.00 0.00 O ATOM 1112 CB MET A 69 -5.500 1.035 8.295 1.00 0.00 C ATOM 1113 CG MET A 69 -5.197 -0.020 9.349 1.00 0.00 C ATOM 1114 SD MET A 69 -5.629 -1.684 8.809 1.00 0.00 S ATOM 1115 CE MET A 69 -7.256 -1.406 8.113 1.00 0.00 C ATOM 0 H MET A 69 -6.322 2.790 6.763 1.00 0.00 H new ATOM 0 HA MET A 69 -7.633 1.016 8.537 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.509 0.563 7.313 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.696 1.771 8.287 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.136 0.014 9.597 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.745 0.216 10.261 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.529 -2.249 7.478 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.984 -1.308 8.918 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.246 -0.492 7.519 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.145 3.637 9.883 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.055 4.434 11.100 1.00 0.00 C ATOM 1127 C ASP A 70 -7.439 4.866 11.571 1.00 0.00 C ATOM 1128 O ASP A 70 -7.676 5.031 12.768 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.177 5.665 10.863 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.224 5.926 12.012 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.683 6.417 13.066 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.018 5.639 11.860 1.00 0.00 O ATOM 0 H ASP A 70 -5.659 4.036 9.080 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.603 3.817 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.606 5.529 9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.813 6.538 10.716 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.351 5.047 10.621 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.714 5.458 10.936 1.00 0.00 C ATOM 1139 C LYS A 71 -10.632 4.249 11.114 1.00 0.00 C ATOM 1140 O LYS A 71 -11.750 4.379 11.613 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.259 6.370 9.835 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.382 7.581 9.561 1.00 0.00 C ATOM 1143 CD LYS A 71 -9.878 8.808 10.307 1.00 0.00 C ATOM 1144 CE LYS A 71 -8.806 9.882 10.390 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.378 11.216 10.723 1.00 0.00 N ATOM 0 H LYS A 71 -8.170 4.915 9.626 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.689 6.006 11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.366 5.793 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.256 6.709 10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.356 7.363 9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.367 7.786 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.758 9.209 9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.187 8.523 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.071 9.604 11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.278 9.941 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.614 11.920 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.060 11.494 9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.860 11.167 11.643 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.158 3.076 10.701 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.944 1.851 10.816 1.00 0.00 C ATOM 1161 C LYS A 72 -12.185 1.922 9.933 1.00 0.00 C ATOM 1162 O LYS A 72 -13.255 1.441 10.307 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.343 1.610 12.275 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.824 0.298 12.839 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.256 -0.885 11.986 1.00 0.00 C ATOM 1166 CE LYS A 72 -11.229 -2.183 12.777 1.00 0.00 C ATOM 1167 NZ LYS A 72 -11.466 -3.369 11.908 1.00 0.00 N ATOM 0 H LYS A 72 -9.236 2.948 10.285 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.330 1.016 10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.969 2.432 12.886 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.430 1.624 12.353 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.736 0.330 12.895 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.192 0.168 13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.262 -0.711 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.598 -0.971 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.265 -2.285 13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.989 -2.148 13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.389 -4.237 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.418 -3.310 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.757 -3.389 11.148 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.033 2.526 8.759 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.134 2.665 7.816 1.00 0.00 C ATOM 1183 C GLU A 73 -13.764 1.315 7.501 1.00 0.00 C ATOM 1184 O GLU A 73 -13.069 0.305 7.379 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.645 3.323 6.525 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.324 4.800 6.678 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.879 5.639 5.545 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.038 5.400 5.142 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.158 6.536 5.061 1.00 0.00 O ATOM 0 H GLU A 73 -11.153 2.929 8.438 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.892 3.297 8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.754 2.801 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.407 3.203 5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.730 5.160 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.243 4.930 6.725 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.083 1.309 7.359 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.816 0.089 7.044 1.00 0.00 C ATOM 1198 C GLU A 74 -15.980 -0.056 5.535 1.00 0.00 C ATOM 1199 O GLU A 74 -17.018 -0.507 5.048 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.188 0.099 7.721 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.108 1.201 7.218 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.315 1.407 8.112 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.145 1.949 9.223 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -20.430 1.025 7.701 1.00 0.00 O ATOM 0 H GLU A 74 -15.669 2.138 7.457 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.246 -0.761 7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.670 -0.866 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.052 0.213 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.548 2.134 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.444 0.957 6.210 1.00 0.00 H new ATOM 1211 N ILE A 75 -14.945 0.337 4.800 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.959 0.266 3.346 1.00 0.00 C ATOM 1213 C ILE A 75 -13.967 -0.776 2.833 1.00 0.00 C ATOM 1214 O ILE A 75 -14.100 -1.277 1.717 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.627 1.638 2.726 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.228 2.096 3.158 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.677 2.662 3.135 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.920 3.537 2.809 1.00 0.00 C ATOM 0 H ILE A 75 -14.081 0.710 5.192 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.965 -0.029 3.046 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.635 1.545 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.130 1.964 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.484 1.452 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.435 3.628 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.657 2.338 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.692 2.754 4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.914 3.786 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.984 3.672 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.640 4.192 3.300 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.976 -1.105 3.659 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.968 -2.091 3.292 1.00 0.00 C ATOM 1232 C ILE A 76 -12.522 -3.507 3.407 1.00 0.00 C ATOM 1233 O ILE A 76 -13.377 -3.782 4.249 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.716 -1.974 4.182 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.203 -0.533 4.197 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.628 -2.923 3.699 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.250 -0.244 5.338 1.00 0.00 C ATOM 0 H ILE A 76 -12.851 -0.701 4.587 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.691 -1.890 2.257 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.989 -2.253 5.200 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.700 -0.325 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.053 0.146 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.751 -2.827 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.996 -3.948 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.357 -2.674 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.926 0.795 5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.755 -0.421 6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.382 -0.899 5.262 1.00 0.00 H new ATOM 1249 N ALA A 77 -12.025 -4.403 2.562 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.467 -5.791 2.576 1.00 0.00 C ATOM 1251 C ALA A 77 -11.288 -6.739 2.751 1.00 0.00 C ATOM 1252 O ALA A 77 -10.133 -6.354 2.566 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.221 -6.131 1.301 1.00 0.00 C ATOM 0 H ALA A 77 -11.316 -4.193 1.859 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.140 -5.914 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.541 -7.172 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.095 -5.485 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.569 -5.979 0.441 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.568 -8.002 3.109 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.528 -9.014 3.304 1.00 0.00 C ATOM 1261 C PRO A 78 -9.787 -9.337 2.013 1.00 0.00 C ATOM 1262 O PRO A 78 -10.360 -9.274 0.926 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.304 -10.241 3.790 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.707 -10.023 3.341 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.920 -8.538 3.345 1.00 0.00 C ATOM 0 HA PRO A 78 -9.761 -8.676 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.894 -11.158 3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.249 -10.337 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.866 -10.437 2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.411 -10.519 4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.617 -8.229 2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.330 -8.193 4.294 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.508 -9.690 2.136 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.699 -10.029 0.967 1.00 0.00 C ATOM 1275 C CYS A 79 -8.368 -11.131 0.147 1.00 0.00 C ATOM 1276 O CYS A 79 -9.034 -12.008 0.698 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.299 -10.472 1.392 1.00 0.00 C ATOM 1278 SG CYS A 79 -5.053 -10.355 0.064 1.00 0.00 S ATOM 0 H CYS A 79 -8.013 -9.748 3.026 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.612 -9.137 0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.976 -9.862 2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.346 -11.503 1.744 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.315 -9.302 0.253 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.194 -11.077 -1.169 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.791 -12.066 -2.058 1.00 0.00 C ATOM 1285 C LYS A 80 -7.840 -13.231 -2.315 1.00 0.00 C ATOM 1286 O LYS A 80 -8.259 -14.388 -2.355 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.191 -11.418 -3.386 1.00 0.00 C ATOM 1288 CG LYS A 80 -8.021 -10.828 -4.157 1.00 0.00 C ATOM 1289 CD LYS A 80 -7.483 -11.807 -5.188 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.451 -11.987 -6.344 1.00 0.00 C ATOM 1291 NZ LYS A 80 -9.225 -13.253 -6.229 1.00 0.00 N ATOM 0 H LYS A 80 -7.645 -10.360 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.682 -12.456 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.686 -12.163 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.920 -10.631 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.337 -9.911 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.226 -10.556 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.526 -11.449 -5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.298 -12.771 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.139 -11.142 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.899 -11.983 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.189 -13.765 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.813 -13.845 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.214 -13.035 -5.994 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.560 -12.923 -2.497 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.559 -13.951 -2.755 1.00 0.00 C ATOM 1307 C VAL A 81 -5.389 -14.879 -1.555 1.00 0.00 C ATOM 1308 O VAL A 81 -5.000 -16.037 -1.706 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.192 -13.333 -3.112 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.298 -12.501 -4.380 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.660 -12.496 -1.957 1.00 0.00 C ATOM 0 H VAL A 81 -6.192 -11.972 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.921 -14.530 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.486 -14.143 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.324 -12.073 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.626 -13.134 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.020 -11.699 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.695 -12.070 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.362 -11.692 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.541 -13.126 -1.075 1.00 0.00 H new