USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 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 72 LYS NZ :NH3+ -122:sc= 0.22 (180deg=-0.945) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.544 K(o=-0.32,f=-2.5) USER MOD Set 2.1: A 65 CYS SG : rot 80:sc= -2.9 USER MOD Set 2.2: A 70 THR OG1 : rot -105:sc= 1.27 USER MOD Set 2.3: A 106 MET CE :methyl -156:sc= -3.4 (180deg=-1.79) USER MOD Set 3.1: A 61 THR OG1 : rot 94:sc= 0.25 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -1.01 K(o=-0.76,f=-17!) USER MOD Set 3.3: A 101 SER OG : rot 170:sc= 0 USER MOD Set 4.1: A 57 THR OG1 : rot 180:sc= 0.434 USER MOD Set 4.2: A 60 SER OG : rot 60:sc= 0.0641 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -3.11! C(o=-3.1!,f=-3.2!) USER MOD Single : A 31 SER OG : rot -47:sc= 0.572 USER MOD Single : A 34 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.1!) USER MOD Single : A 35 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.86) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.055 X(o=-0.055,f=-0.055) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 94:sc= -0.025 USER MOD Single : A 93 HIS : no HE2:sc= -2.73 K(o=-2.7,f=-5.3!) USER MOD Single : A 95 MET CE :methyl -161:sc= -0.0299 (180deg=-0.538) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 104 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 6.356 18.024 -0.418 1.00 0.00 N ATOM 228 CA GLU A 18 7.327 16.938 -0.359 1.00 0.00 C ATOM 229 C GLU A 18 6.631 15.581 -0.424 1.00 0.00 C ATOM 230 O GLU A 18 7.019 14.709 -1.202 1.00 0.00 O ATOM 231 CB GLU A 18 8.157 17.036 0.923 1.00 0.00 C ATOM 232 CG GLU A 18 7.554 16.286 2.098 1.00 0.00 C ATOM 233 CD GLU A 18 8.446 16.306 3.324 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.682 16.381 3.156 1.00 0.00 O ATOM 235 OE2 GLU A 18 7.910 16.249 4.450 1.00 0.00 O ATOM 0 HA GLU A 18 7.989 17.029 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.157 16.647 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.270 18.086 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.589 16.727 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.367 15.252 1.807 1.00 0.00 H new ATOM 242 N LEU A 19 5.602 15.411 0.398 1.00 0.00 N ATOM 243 CA LEU A 19 4.850 14.161 0.435 1.00 0.00 C ATOM 244 C LEU A 19 4.199 13.877 -0.914 1.00 0.00 C ATOM 245 O LEU A 19 4.413 12.822 -1.509 1.00 0.00 O ATOM 246 CB LEU A 19 3.782 14.218 1.529 1.00 0.00 C ATOM 247 CG LEU A 19 4.289 14.117 2.968 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.621 15.496 3.515 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.258 13.426 3.849 1.00 0.00 C ATOM 0 H LEU A 19 5.269 16.123 1.048 1.00 0.00 H new ATOM 0 HA LEU A 19 5.547 13.353 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.232 15.153 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.071 13.409 1.358 1.00 0.00 H new ATOM 0 HG LEU A 19 5.200 13.519 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.980 15.404 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.394 15.955 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.727 16.119 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.635 13.363 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.330 13.998 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.069 12.422 3.469 1.00 0.00 H new ATOM 261 N GLY A 20 3.403 14.829 -1.393 1.00 0.00 N ATOM 262 CA GLY A 20 2.734 14.663 -2.670 1.00 0.00 C ATOM 263 C GLY A 20 3.686 14.247 -3.774 1.00 0.00 C ATOM 264 O GLY A 20 3.260 13.758 -4.821 1.00 0.00 O ATOM 0 H GLY A 20 3.210 15.712 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.949 13.914 -2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.249 15.599 -2.947 1.00 0.00 H new ATOM 268 N LYS A 21 4.979 14.443 -3.542 1.00 0.00 N ATOM 269 CA LYS A 21 5.996 14.086 -4.525 1.00 0.00 C ATOM 270 C LYS A 21 6.465 12.648 -4.324 1.00 0.00 C ATOM 271 O LYS A 21 6.909 11.994 -5.268 1.00 0.00 O ATOM 272 CB LYS A 21 7.188 15.041 -4.426 1.00 0.00 C ATOM 273 CG LYS A 21 7.036 16.293 -5.272 1.00 0.00 C ATOM 274 CD LYS A 21 7.513 16.065 -6.697 1.00 0.00 C ATOM 275 CE LYS A 21 8.050 17.345 -7.316 1.00 0.00 C ATOM 276 NZ LYS A 21 6.980 18.364 -7.501 1.00 0.00 N ATOM 0 H LYS A 21 5.348 14.847 -2.681 1.00 0.00 H new ATOM 0 HA LYS A 21 5.553 14.170 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.325 15.331 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.092 14.514 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.991 16.601 -5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.604 17.108 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.291 15.302 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.689 15.685 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.835 17.754 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.506 17.119 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.387 19.222 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.243 17.983 -8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.562 18.599 -6.578 1.00 0.00 H new ATOM 290 N ILE A 22 6.361 12.164 -3.092 1.00 0.00 N ATOM 291 CA ILE A 22 6.773 10.803 -2.770 1.00 0.00 C ATOM 292 C ILE A 22 6.025 9.786 -3.625 1.00 0.00 C ATOM 293 O ILE A 22 6.636 8.994 -4.344 1.00 0.00 O ATOM 294 CB ILE A 22 6.534 10.480 -1.283 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.314 11.453 -0.396 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.936 9.043 -0.982 1.00 0.00 C ATOM 297 CD1 ILE A 22 7.201 11.147 1.081 1.00 0.00 C ATOM 0 H ILE A 22 5.995 12.693 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 22 7.840 10.738 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 22 5.471 10.593 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.365 11.432 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.954 12.466 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.761 8.830 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.342 8.363 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.993 8.906 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.778 11.876 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.155 11.197 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.588 10.147 1.276 1.00 0.00 H new ATOM 309 N LEU A 23 4.700 9.813 -3.545 1.00 0.00 N ATOM 310 CA LEU A 23 3.867 8.895 -4.314 1.00 0.00 C ATOM 311 C LEU A 23 3.175 9.620 -5.464 1.00 0.00 C ATOM 312 O LEU A 23 1.949 9.611 -5.567 1.00 0.00 O ATOM 313 CB LEU A 23 2.823 8.241 -3.407 1.00 0.00 C ATOM 314 CG LEU A 23 3.360 7.253 -2.370 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.219 6.473 -1.735 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.367 6.306 -3.006 1.00 0.00 C ATOM 0 H LEU A 23 4.178 10.461 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 23 4.512 8.122 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.282 9.029 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.100 7.721 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 23 3.867 7.817 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.620 5.775 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.535 7.165 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.683 5.920 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.738 5.611 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.885 5.748 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.200 6.880 -3.412 1.00 0.00 H new ATOM 328 N GLN A 24 3.970 10.244 -6.326 1.00 0.00 N ATOM 329 CA GLN A 24 3.433 10.973 -7.470 1.00 0.00 C ATOM 330 C GLN A 24 3.050 10.015 -8.594 1.00 0.00 C ATOM 331 O GLN A 24 3.910 9.383 -9.205 1.00 0.00 O ATOM 332 CB GLN A 24 4.455 11.991 -7.978 1.00 0.00 C ATOM 333 CG GLN A 24 4.065 12.639 -9.297 1.00 0.00 C ATOM 334 CD GLN A 24 4.374 11.760 -10.493 1.00 0.00 C ATOM 335 OE1 GLN A 24 5.510 11.321 -10.678 1.00 0.00 O ATOM 336 NE2 GLN A 24 3.363 11.498 -11.313 1.00 0.00 N ATOM 0 H GLN A 24 4.987 10.260 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 24 2.536 11.500 -7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.586 12.769 -7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.419 11.497 -8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.999 12.867 -9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.593 13.587 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.438 11.883 -11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.511 10.912 -12.135 1.00 0.00 H new ATOM 345 N GLY A 25 1.751 9.914 -8.860 1.00 0.00 N ATOM 346 CA GLY A 25 1.276 9.031 -9.910 1.00 0.00 C ATOM 347 C GLY A 25 1.056 7.613 -9.420 1.00 0.00 C ATOM 348 O GLY A 25 1.084 6.666 -10.205 1.00 0.00 O ATOM 0 H GLY A 25 1.020 10.427 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.342 9.422 -10.314 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.998 9.022 -10.727 1.00 0.00 H new ATOM 352 N VAL A 26 0.839 7.466 -8.117 1.00 0.00 N ATOM 353 CA VAL A 26 0.615 6.154 -7.522 1.00 0.00 C ATOM 354 C VAL A 26 -0.828 6.003 -7.053 1.00 0.00 C ATOM 355 O VAL A 26 -1.452 6.967 -6.611 1.00 0.00 O ATOM 356 CB VAL A 26 1.559 5.908 -6.331 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.306 4.537 -5.722 1.00 0.00 C ATOM 358 CG2 VAL A 26 3.011 6.049 -6.764 1.00 0.00 C ATOM 0 H VAL A 26 0.814 8.240 -7.453 1.00 0.00 H new ATOM 0 HA VAL A 26 0.822 5.416 -8.297 1.00 0.00 H new ATOM 0 HB VAL A 26 1.356 6.660 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.983 4.382 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.275 4.478 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.479 3.767 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.664 5.872 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.230 5.321 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.180 7.055 -7.148 1.00 0.00 H new ATOM 368 N VAL A 27 -1.352 4.785 -7.151 1.00 0.00 N ATOM 369 CA VAL A 27 -2.721 4.507 -6.735 1.00 0.00 C ATOM 370 C VAL A 27 -2.764 3.388 -5.701 1.00 0.00 C ATOM 371 O VAL A 27 -2.420 2.243 -5.994 1.00 0.00 O ATOM 372 CB VAL A 27 -3.604 4.115 -7.935 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.026 3.824 -7.480 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.587 5.213 -8.989 1.00 0.00 C ATOM 0 H VAL A 27 -0.849 3.976 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.109 5.424 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.198 3.207 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.635 3.549 -8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.018 3.002 -6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.446 4.712 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.216 4.920 -9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.967 6.138 -8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.566 5.368 -9.336 1.00 0.00 H new ATOM 384 N VAL A 28 -3.190 3.727 -4.488 1.00 0.00 N ATOM 385 CA VAL A 28 -3.280 2.751 -3.409 1.00 0.00 C ATOM 386 C VAL A 28 -4.729 2.357 -3.142 1.00 0.00 C ATOM 387 O VAL A 28 -5.652 3.126 -3.413 1.00 0.00 O ATOM 388 CB VAL A 28 -2.659 3.293 -2.108 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.185 3.606 -2.309 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.414 4.525 -1.631 1.00 0.00 C ATOM 0 H VAL A 28 -3.478 4.670 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.721 1.872 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.740 2.524 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.764 3.988 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.657 2.698 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.076 4.357 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.962 4.895 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.366 5.300 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.456 4.264 -1.444 1.00 0.00 H new ATOM 400 N VAL A 29 -4.922 1.155 -2.610 1.00 0.00 N ATOM 401 CA VAL A 29 -6.259 0.659 -2.305 1.00 0.00 C ATOM 402 C VAL A 29 -6.344 0.158 -0.868 1.00 0.00 C ATOM 403 O VAL A 29 -5.554 -0.687 -0.446 1.00 0.00 O ATOM 404 CB VAL A 29 -6.667 -0.478 -3.260 1.00 0.00 C ATOM 405 CG1 VAL A 29 -7.846 -1.254 -2.693 1.00 0.00 C ATOM 406 CG2 VAL A 29 -6.995 0.075 -4.638 1.00 0.00 C ATOM 0 H VAL A 29 -4.169 0.506 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.945 1.496 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.826 -1.164 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.120 -2.053 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.570 -1.683 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.694 -0.582 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.281 -0.743 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.820 0.783 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.120 0.581 -5.045 1.00 0.00 H new ATOM 416 N LEU A 30 -7.309 0.683 -0.121 1.00 0.00 N ATOM 417 CA LEU A 30 -7.500 0.288 1.270 1.00 0.00 C ATOM 418 C LEU A 30 -8.399 -0.940 1.370 1.00 0.00 C ATOM 419 O LEU A 30 -9.557 -0.909 0.954 1.00 0.00 O ATOM 420 CB LEU A 30 -8.104 1.443 2.071 1.00 0.00 C ATOM 421 CG LEU A 30 -7.234 2.693 2.207 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.002 3.805 2.904 1.00 0.00 C ATOM 423 CD2 LEU A 30 -5.954 2.371 2.965 1.00 0.00 C ATOM 0 H LEU A 30 -7.971 1.383 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.525 0.036 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.046 1.730 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.342 1.080 3.071 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.966 3.036 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.367 4.686 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.890 4.054 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.301 3.473 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.347 3.272 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.203 2.003 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.394 1.607 2.426 1.00 0.00 H new ATOM 435 N SER A 31 -7.858 -2.020 1.926 1.00 0.00 N ATOM 436 CA SER A 31 -8.611 -3.259 2.079 1.00 0.00 C ATOM 437 C SER A 31 -8.519 -3.778 3.510 1.00 0.00 C ATOM 438 O SER A 31 -7.437 -3.834 4.094 1.00 0.00 O ATOM 439 CB SER A 31 -8.092 -4.320 1.106 1.00 0.00 C ATOM 440 OG SER A 31 -6.784 -4.738 1.457 1.00 0.00 O ATOM 0 H SER A 31 -6.901 -2.062 2.278 1.00 0.00 H new ATOM 0 HA SER A 31 -9.657 -3.049 1.853 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.764 -5.178 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.089 -3.918 0.093 1.00 0.00 H new ATOM 0 HG SER A 31 -6.226 -3.952 1.633 1.00 0.00 H new ATOM 446 N GLY A 32 -9.664 -4.156 4.071 1.00 0.00 N ATOM 447 CA GLY A 32 -9.691 -4.665 5.430 1.00 0.00 C ATOM 448 C GLY A 32 -9.337 -3.604 6.454 1.00 0.00 C ATOM 449 O GLY A 32 -8.578 -3.862 7.388 1.00 0.00 O ATOM 0 H GLY A 32 -10.573 -4.119 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.684 -5.059 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.992 -5.497 5.517 1.00 0.00 H new ATOM 453 N PHE A 33 -9.887 -2.407 6.278 1.00 0.00 N ATOM 454 CA PHE A 33 -9.622 -1.303 7.192 1.00 0.00 C ATOM 455 C PHE A 33 -10.925 -0.710 7.720 1.00 0.00 C ATOM 456 O PHE A 33 -11.953 -0.744 7.044 1.00 0.00 O ATOM 457 CB PHE A 33 -8.802 -0.218 6.492 1.00 0.00 C ATOM 458 CG PHE A 33 -7.390 -0.633 6.192 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.481 -0.835 7.218 1.00 0.00 C ATOM 460 CD2 PHE A 33 -6.972 -0.821 4.885 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.181 -1.218 6.946 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.673 -1.204 4.607 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.776 -1.402 5.639 1.00 0.00 C ATOM 0 H PHE A 33 -10.519 -2.177 5.511 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.051 -1.692 8.035 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.297 0.056 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.785 0.674 7.118 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.792 -0.692 8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.668 -0.667 4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.483 -1.373 7.755 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.360 -1.348 3.584 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.760 -1.700 5.424 1.00 0.00 H new ATOM 473 N GLN A 34 -10.874 -0.167 8.932 1.00 0.00 N ATOM 474 CA GLN A 34 -12.050 0.432 9.552 1.00 0.00 C ATOM 475 C GLN A 34 -11.680 1.709 10.300 1.00 0.00 C ATOM 476 O GLN A 34 -10.637 1.780 10.947 1.00 0.00 O ATOM 477 CB GLN A 34 -12.710 -0.561 10.509 1.00 0.00 C ATOM 478 CG GLN A 34 -11.860 -0.892 11.725 1.00 0.00 C ATOM 479 CD GLN A 34 -10.855 -1.995 11.452 1.00 0.00 C ATOM 480 OE1 GLN A 34 -11.011 -2.773 10.511 1.00 0.00 O ATOM 481 NE2 GLN A 34 -9.816 -2.066 12.275 1.00 0.00 N ATOM 0 H GLN A 34 -10.031 -0.130 9.504 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.756 0.687 8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.663 -0.152 10.843 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.930 -1.482 9.969 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.331 0.004 12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.510 -1.193 12.547 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.727 -1.400 13.042 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.107 -2.787 12.140 1.00 0.00 H new ATOM 490 N ASN A 35 -12.544 2.715 10.206 1.00 0.00 N ATOM 491 CA ASN A 35 -12.307 3.989 10.874 1.00 0.00 C ATOM 492 C ASN A 35 -12.252 3.809 12.388 1.00 0.00 C ATOM 493 O ASN A 35 -12.831 2.877 12.948 1.00 0.00 O ATOM 494 CB ASN A 35 -13.404 4.991 10.509 1.00 0.00 C ATOM 495 CG ASN A 35 -14.570 4.951 11.478 1.00 0.00 C ATOM 496 OD1 ASN A 35 -15.084 3.881 11.804 1.00 0.00 O ATOM 497 ND2 ASN A 35 -14.993 6.121 11.943 1.00 0.00 N ATOM 0 H ASN A 35 -13.413 2.672 9.674 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.344 4.373 10.537 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.983 5.996 10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.765 4.780 9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.774 6.157 12.598 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.537 6.983 11.645 1.00 0.00 H new ATOM 504 N PRO A 36 -11.540 4.720 13.067 1.00 0.00 N ATOM 505 CA PRO A 36 -10.847 5.832 12.411 1.00 0.00 C ATOM 506 C PRO A 36 -9.650 5.366 11.590 1.00 0.00 C ATOM 507 O PRO A 36 -9.254 6.019 10.624 1.00 0.00 O ATOM 508 CB PRO A 36 -10.385 6.703 13.582 1.00 0.00 C ATOM 509 CG PRO A 36 -10.280 5.764 14.734 1.00 0.00 C ATOM 510 CD PRO A 36 -11.357 4.735 14.528 1.00 0.00 C ATOM 0 HA PRO A 36 -11.492 6.352 11.703 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.427 7.177 13.369 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.098 7.502 13.786 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.296 5.297 14.769 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.417 6.289 15.679 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.056 3.758 14.905 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.277 5.007 15.045 1.00 0.00 H new ATOM 518 N PHE A 37 -9.077 4.231 11.979 1.00 0.00 N ATOM 519 CA PHE A 37 -7.924 3.677 11.278 1.00 0.00 C ATOM 520 C PHE A 37 -8.015 3.950 9.780 1.00 0.00 C ATOM 521 O PHE A 37 -7.067 4.444 9.169 1.00 0.00 O ATOM 522 CB PHE A 37 -7.824 2.171 11.529 1.00 0.00 C ATOM 523 CG PHE A 37 -6.416 1.650 11.497 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.411 2.290 12.204 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.097 0.521 10.760 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.114 1.813 12.176 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.802 0.040 10.728 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.809 0.686 11.438 1.00 0.00 C ATOM 0 H PHE A 37 -9.392 3.677 12.776 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.028 4.163 11.663 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.265 1.942 12.499 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.414 1.646 10.778 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.644 3.171 12.783 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.870 0.011 10.204 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.339 2.321 12.731 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.567 -0.840 10.148 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.796 0.311 11.416 1.00 0.00 H new ATOM 538 N ARG A 38 -9.163 3.625 9.194 1.00 0.00 N ATOM 539 CA ARG A 38 -9.378 3.833 7.767 1.00 0.00 C ATOM 540 C ARG A 38 -9.110 5.285 7.383 1.00 0.00 C ATOM 541 O ARG A 38 -8.410 5.560 6.409 1.00 0.00 O ATOM 542 CB ARG A 38 -10.809 3.449 7.384 1.00 0.00 C ATOM 543 CG ARG A 38 -11.104 3.600 5.901 1.00 0.00 C ATOM 544 CD ARG A 38 -12.456 3.006 5.538 1.00 0.00 C ATOM 545 NE ARG A 38 -12.355 1.592 5.184 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.328 0.914 4.586 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.468 1.516 4.277 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.161 -0.370 4.296 1.00 0.00 N ATOM 0 H ARG A 38 -9.958 3.217 9.685 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.680 3.196 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.990 2.415 7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.506 4.068 7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.085 4.656 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.322 3.109 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.140 3.121 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.883 3.560 4.702 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.491 1.099 5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.600 2.503 4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.213 0.992 3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.285 -0.837 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.908 -0.891 3.837 1.00 0.00 H new ATOM 562 N SER A 39 -9.672 6.210 8.155 1.00 0.00 N ATOM 563 CA SER A 39 -9.496 7.634 7.893 1.00 0.00 C ATOM 564 C SER A 39 -8.025 8.027 7.990 1.00 0.00 C ATOM 565 O SER A 39 -7.493 8.698 7.106 1.00 0.00 O ATOM 566 CB SER A 39 -10.323 8.461 8.880 1.00 0.00 C ATOM 567 OG SER A 39 -10.686 9.710 8.319 1.00 0.00 O ATOM 0 H SER A 39 -10.253 5.999 8.967 1.00 0.00 H new ATOM 0 HA SER A 39 -9.842 7.837 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.221 7.909 9.159 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.751 8.622 9.794 1.00 0.00 H new ATOM 0 HG SER A 39 -11.215 10.219 8.968 1.00 0.00 H new ATOM 573 N GLU A 40 -7.376 7.603 9.069 1.00 0.00 N ATOM 574 CA GLU A 40 -5.967 7.912 9.282 1.00 0.00 C ATOM 575 C GLU A 40 -5.121 7.429 8.107 1.00 0.00 C ATOM 576 O GLU A 40 -4.287 8.169 7.582 1.00 0.00 O ATOM 577 CB GLU A 40 -5.471 7.269 10.579 1.00 0.00 C ATOM 578 CG GLU A 40 -4.134 7.812 11.055 1.00 0.00 C ATOM 579 CD GLU A 40 -4.280 9.066 11.896 1.00 0.00 C ATOM 580 OE1 GLU A 40 -5.345 9.713 11.815 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.329 9.401 12.633 1.00 0.00 O ATOM 0 H GLU A 40 -7.803 7.045 9.809 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.867 8.995 9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.216 7.425 11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.385 6.193 10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.621 7.046 11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.506 8.029 10.191 1.00 0.00 H new ATOM 588 N LEU A 41 -5.341 6.184 7.700 1.00 0.00 N ATOM 589 CA LEU A 41 -4.599 5.601 6.587 1.00 0.00 C ATOM 590 C LEU A 41 -4.853 6.375 5.298 1.00 0.00 C ATOM 591 O LEU A 41 -3.921 6.877 4.669 1.00 0.00 O ATOM 592 CB LEU A 41 -4.990 4.134 6.401 1.00 0.00 C ATOM 593 CG LEU A 41 -4.164 3.114 7.185 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.539 1.697 6.778 1.00 0.00 C ATOM 595 CD2 LEU A 41 -2.677 3.356 6.974 1.00 0.00 C ATOM 0 H LEU A 41 -6.027 5.559 8.123 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.536 5.660 6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.036 4.019 6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.918 3.891 5.341 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.384 3.235 8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.941 0.985 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.596 1.527 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.349 1.562 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.105 2.621 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.440 3.263 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.419 4.358 7.317 1.00 0.00 H new ATOM 607 N ARG A 42 -6.121 6.469 4.911 1.00 0.00 N ATOM 608 CA ARG A 42 -6.498 7.183 3.697 1.00 0.00 C ATOM 609 C ARG A 42 -5.908 8.590 3.688 1.00 0.00 C ATOM 610 O ARG A 42 -5.343 9.031 2.687 1.00 0.00 O ATOM 611 CB ARG A 42 -8.022 7.257 3.575 1.00 0.00 C ATOM 612 CG ARG A 42 -8.499 7.959 2.315 1.00 0.00 C ATOM 613 CD ARG A 42 -9.955 8.382 2.430 1.00 0.00 C ATOM 614 NE ARG A 42 -10.115 9.570 3.265 1.00 0.00 N ATOM 615 CZ ARG A 42 -11.289 10.139 3.516 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.400 9.630 3.000 1.00 0.00 N ATOM 617 NH2 ARG A 42 -11.354 11.218 4.286 1.00 0.00 N ATOM 0 H ARG A 42 -6.904 6.060 5.420 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.098 6.634 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.429 6.246 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.423 7.778 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.878 8.835 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.379 7.295 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.354 8.581 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.539 7.563 2.850 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.280 9.985 3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.354 8.800 2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.300 10.069 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.502 11.611 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.256 11.654 4.478 1.00 0.00 H new ATOM 631 N ASP A 43 -6.045 9.290 4.809 1.00 0.00 N ATOM 632 CA ASP A 43 -5.525 10.647 4.931 1.00 0.00 C ATOM 633 C ASP A 43 -4.047 10.699 4.558 1.00 0.00 C ATOM 634 O ASP A 43 -3.652 11.416 3.638 1.00 0.00 O ATOM 635 CB ASP A 43 -5.723 11.166 6.356 1.00 0.00 C ATOM 636 CG ASP A 43 -7.052 11.873 6.536 1.00 0.00 C ATOM 637 OD1 ASP A 43 -7.966 11.634 5.720 1.00 0.00 O ATOM 638 OD2 ASP A 43 -7.178 12.665 7.493 1.00 0.00 O ATOM 0 H ASP A 43 -6.512 8.940 5.646 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.078 11.284 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.661 10.332 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.913 11.852 6.605 1.00 0.00 H new ATOM 643 N LYS A 44 -3.233 9.934 5.278 1.00 0.00 N ATOM 644 CA LYS A 44 -1.798 9.891 5.024 1.00 0.00 C ATOM 645 C LYS A 44 -1.513 9.492 3.580 1.00 0.00 C ATOM 646 O LYS A 44 -0.593 10.016 2.952 1.00 0.00 O ATOM 647 CB LYS A 44 -1.120 8.907 5.980 1.00 0.00 C ATOM 648 CG LYS A 44 -1.194 9.326 7.438 1.00 0.00 C ATOM 649 CD LYS A 44 -0.964 8.147 8.369 1.00 0.00 C ATOM 650 CE LYS A 44 -0.806 8.599 9.812 1.00 0.00 C ATOM 651 NZ LYS A 44 -0.703 7.445 10.747 1.00 0.00 N ATOM 0 H LYS A 44 -3.543 9.335 6.043 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.394 10.889 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.584 7.927 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.074 8.799 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.449 10.097 7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.170 9.767 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.802 7.454 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.072 7.604 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.085 9.220 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.657 9.219 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.596 7.795 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.564 6.866 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.124 6.867 10.495 1.00 0.00 H new ATOM 665 N ALA A 45 -2.309 8.564 3.059 1.00 0.00 N ATOM 666 CA ALA A 45 -2.143 8.099 1.688 1.00 0.00 C ATOM 667 C ALA A 45 -2.332 9.240 0.694 1.00 0.00 C ATOM 668 O ALA A 45 -1.671 9.289 -0.344 1.00 0.00 O ATOM 669 CB ALA A 45 -3.121 6.971 1.392 1.00 0.00 C ATOM 0 H ALA A 45 -3.075 8.120 3.566 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.126 7.722 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.986 6.633 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.937 6.141 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.142 7.330 1.525 1.00 0.00 H new ATOM 675 N LEU A 46 -3.239 10.155 1.017 1.00 0.00 N ATOM 676 CA LEU A 46 -3.516 11.296 0.152 1.00 0.00 C ATOM 677 C LEU A 46 -2.338 12.265 0.135 1.00 0.00 C ATOM 678 O LEU A 46 -1.989 12.815 -0.909 1.00 0.00 O ATOM 679 CB LEU A 46 -4.780 12.020 0.618 1.00 0.00 C ATOM 680 CG LEU A 46 -6.084 11.229 0.513 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.198 11.933 1.272 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.472 11.032 -0.945 1.00 0.00 C ATOM 0 H LEU A 46 -3.795 10.129 1.872 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.671 10.923 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.642 12.318 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.886 12.935 0.036 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.929 10.248 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.118 11.355 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.922 12.022 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.353 12.927 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.402 10.467 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.608 12.004 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.683 10.484 -1.461 1.00 0.00 H new ATOM 694 N GLU A 47 -1.729 12.468 1.299 1.00 0.00 N ATOM 695 CA GLU A 47 -0.589 13.370 1.417 1.00 0.00 C ATOM 696 C GLU A 47 0.489 13.021 0.395 1.00 0.00 C ATOM 697 O GLU A 47 0.950 13.881 -0.357 1.00 0.00 O ATOM 698 CB GLU A 47 -0.006 13.308 2.831 1.00 0.00 C ATOM 699 CG GLU A 47 -0.652 14.285 3.799 1.00 0.00 C ATOM 700 CD GLU A 47 -0.858 15.659 3.191 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.060 16.142 2.494 1.00 0.00 O ATOM 702 OE2 GLU A 47 -1.935 16.251 3.411 1.00 0.00 O ATOM 0 H GLU A 47 -2.006 12.021 2.173 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.938 14.384 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.121 12.296 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.064 13.511 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.614 13.887 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.028 14.375 4.688 1.00 0.00 H new ATOM 709 N LEU A 48 0.887 11.754 0.373 1.00 0.00 N ATOM 710 CA LEU A 48 1.911 11.290 -0.556 1.00 0.00 C ATOM 711 C LEU A 48 1.507 11.574 -1.999 1.00 0.00 C ATOM 712 O LEU A 48 2.345 11.585 -2.899 1.00 0.00 O ATOM 713 CB LEU A 48 2.156 9.791 -0.369 1.00 0.00 C ATOM 714 CG LEU A 48 2.470 9.335 1.057 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.411 7.819 1.157 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.835 9.848 1.492 1.00 0.00 C ATOM 0 H LEU A 48 0.516 11.030 0.988 1.00 0.00 H new ATOM 0 HA LEU A 48 2.832 11.832 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.273 9.253 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.983 9.495 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 48 1.717 9.752 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.637 7.513 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.412 7.475 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.141 7.381 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.042 9.514 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.601 9.460 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.842 10.937 1.459 1.00 0.00 H new ATOM 728 N GLY A 49 0.215 11.806 -2.211 1.00 0.00 N ATOM 729 CA GLY A 49 -0.278 12.090 -3.546 1.00 0.00 C ATOM 730 C GLY A 49 -0.799 10.851 -4.247 1.00 0.00 C ATOM 731 O GLY A 49 -0.870 10.808 -5.475 1.00 0.00 O ATOM 0 H GLY A 49 -0.499 11.802 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.074 12.832 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.523 12.530 -4.140 1.00 0.00 H new ATOM 735 N ALA A 50 -1.162 9.839 -3.466 1.00 0.00 N ATOM 736 CA ALA A 50 -1.679 8.594 -4.019 1.00 0.00 C ATOM 737 C ALA A 50 -3.204 8.595 -4.044 1.00 0.00 C ATOM 738 O ALA A 50 -3.847 9.292 -3.260 1.00 0.00 O ATOM 739 CB ALA A 50 -1.163 7.407 -3.219 1.00 0.00 C ATOM 0 H ALA A 50 -1.107 9.857 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.325 8.507 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.557 6.483 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.074 7.388 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.488 7.498 -2.183 1.00 0.00 H new ATOM 745 N LYS A 51 -3.777 7.810 -4.950 1.00 0.00 N ATOM 746 CA LYS A 51 -5.227 7.719 -5.077 1.00 0.00 C ATOM 747 C LYS A 51 -5.780 6.595 -4.207 1.00 0.00 C ATOM 748 O LYS A 51 -5.166 5.535 -4.082 1.00 0.00 O ATOM 749 CB LYS A 51 -5.617 7.488 -6.538 1.00 0.00 C ATOM 750 CG LYS A 51 -5.876 8.771 -7.309 1.00 0.00 C ATOM 751 CD LYS A 51 -5.498 8.627 -8.774 1.00 0.00 C ATOM 752 CE LYS A 51 -6.670 8.132 -9.607 1.00 0.00 C ATOM 753 NZ LYS A 51 -6.548 8.540 -11.034 1.00 0.00 N ATOM 0 H LYS A 51 -3.259 7.227 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.657 8.661 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.822 6.930 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.512 6.866 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.930 9.038 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.305 9.586 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.157 9.588 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.664 7.932 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.727 7.045 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.600 8.525 -9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.366 8.183 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.519 9.578 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.674 8.144 -11.435 1.00 0.00 H new ATOM 767 N TYR A 52 -6.943 6.832 -3.611 1.00 0.00 N ATOM 768 CA TYR A 52 -7.578 5.839 -2.753 1.00 0.00 C ATOM 769 C TYR A 52 -8.854 5.302 -3.393 1.00 0.00 C ATOM 770 O TYR A 52 -9.841 6.024 -3.539 1.00 0.00 O ATOM 771 CB TYR A 52 -7.897 6.445 -1.385 1.00 0.00 C ATOM 772 CG TYR A 52 -9.083 5.805 -0.700 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.120 4.435 -0.468 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.166 6.569 -0.284 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.202 3.846 0.156 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.252 5.989 0.342 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.266 4.627 0.560 1.00 0.00 C ATOM 778 OH TYR A 52 -12.345 4.044 1.184 1.00 0.00 O ATOM 0 H TYR A 52 -7.465 7.703 -3.706 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.882 5.011 -2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.022 6.350 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.090 7.511 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.289 3.821 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.159 7.636 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.216 2.780 0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.085 6.598 0.659 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.006 4.733 1.405 1.00 0.00 H new ATOM 788 N ARG A 53 -8.827 4.029 -3.774 1.00 0.00 N ATOM 789 CA ARG A 53 -9.980 3.393 -4.400 1.00 0.00 C ATOM 790 C ARG A 53 -10.531 2.276 -3.518 1.00 0.00 C ATOM 791 O ARG A 53 -9.788 1.558 -2.848 1.00 0.00 O ATOM 792 CB ARG A 53 -9.599 2.833 -5.772 1.00 0.00 C ATOM 793 CG ARG A 53 -9.028 3.877 -6.718 1.00 0.00 C ATOM 794 CD ARG A 53 -10.127 4.717 -7.349 1.00 0.00 C ATOM 795 NE ARG A 53 -11.107 3.896 -8.055 1.00 0.00 N ATOM 796 CZ ARG A 53 -12.093 4.398 -8.791 1.00 0.00 C ATOM 797 NH1 ARG A 53 -12.228 5.711 -8.916 1.00 0.00 N ATOM 798 NH2 ARG A 53 -12.945 3.586 -9.403 1.00 0.00 N ATOM 0 H ARG A 53 -8.019 3.417 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.755 4.149 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.867 2.036 -5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.480 2.384 -6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.340 4.525 -6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.451 3.384 -7.500 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.630 5.296 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.684 5.430 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.030 2.882 -7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.574 6.338 -8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.986 6.094 -9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.844 2.575 -9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.702 3.972 -9.968 1.00 0.00 H new ATOM 812 N PRO A 54 -11.864 2.126 -3.516 1.00 0.00 N ATOM 813 CA PRO A 54 -12.543 1.099 -2.721 1.00 0.00 C ATOM 814 C PRO A 54 -12.287 -0.308 -3.250 1.00 0.00 C ATOM 815 O PRO A 54 -12.579 -1.297 -2.578 1.00 0.00 O ATOM 816 CB PRO A 54 -14.023 1.462 -2.862 1.00 0.00 C ATOM 817 CG PRO A 54 -14.110 2.203 -4.152 1.00 0.00 C ATOM 818 CD PRO A 54 -12.810 2.947 -4.290 1.00 0.00 C ATOM 0 HA PRO A 54 -12.190 1.083 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.650 0.570 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.361 2.078 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.258 1.518 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.955 2.891 -4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.506 3.035 -5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.882 3.959 -3.893 1.00 0.00 H new ATOM 826 N ASP A 55 -11.739 -0.390 -4.458 1.00 0.00 N ATOM 827 CA ASP A 55 -11.442 -1.676 -5.077 1.00 0.00 C ATOM 828 C ASP A 55 -10.266 -1.557 -6.041 1.00 0.00 C ATOM 829 O ASP A 55 -9.820 -0.454 -6.358 1.00 0.00 O ATOM 830 CB ASP A 55 -12.671 -2.207 -5.816 1.00 0.00 C ATOM 831 CG ASP A 55 -12.388 -3.498 -6.558 1.00 0.00 C ATOM 832 OD1 ASP A 55 -11.817 -3.433 -7.667 1.00 0.00 O ATOM 833 OD2 ASP A 55 -12.737 -4.574 -6.030 1.00 0.00 O ATOM 0 H ASP A 55 -11.492 0.419 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.172 -2.377 -4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.478 -2.371 -5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.020 -1.454 -6.523 1.00 0.00 H new ATOM 838 N TRP A 56 -9.768 -2.698 -6.502 1.00 0.00 N ATOM 839 CA TRP A 56 -8.642 -2.721 -7.430 1.00 0.00 C ATOM 840 C TRP A 56 -9.081 -2.304 -8.829 1.00 0.00 C ATOM 841 O TRP A 56 -9.967 -2.920 -9.423 1.00 0.00 O ATOM 842 CB TRP A 56 -8.018 -4.116 -7.472 1.00 0.00 C ATOM 843 CG TRP A 56 -6.739 -4.171 -8.251 1.00 0.00 C ATOM 844 CD1 TRP A 56 -6.572 -4.644 -9.521 1.00 0.00 C ATOM 845 CD2 TRP A 56 -5.447 -3.741 -7.808 1.00 0.00 C ATOM 846 NE1 TRP A 56 -5.254 -4.533 -9.895 1.00 0.00 N ATOM 847 CE2 TRP A 56 -4.544 -3.981 -8.863 1.00 0.00 C ATOM 848 CE3 TRP A 56 -4.965 -3.174 -6.625 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -3.189 -3.674 -8.766 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -3.621 -2.870 -6.531 1.00 0.00 C ATOM 851 CH2 TRP A 56 -2.745 -3.120 -7.597 1.00 0.00 C ATOM 0 H TRP A 56 -10.125 -3.619 -6.249 1.00 0.00 H new ATOM 0 HA TRP A 56 -7.897 -2.008 -7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -7.829 -4.453 -6.453 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -8.732 -4.813 -7.910 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.360 -5.046 -10.141 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.868 -4.816 -10.796 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.632 -2.977 -5.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.512 -3.867 -9.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -3.238 -2.432 -5.621 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.699 -2.870 -7.493 1.00 0.00 H new ATOM 862 N THR A 57 -8.456 -1.254 -9.353 1.00 0.00 N ATOM 863 CA THR A 57 -8.783 -0.754 -10.682 1.00 0.00 C ATOM 864 C THR A 57 -7.649 -1.022 -11.665 1.00 0.00 C ATOM 865 O THR A 57 -6.636 -1.625 -11.309 1.00 0.00 O ATOM 866 CB THR A 57 -9.079 0.757 -10.657 1.00 0.00 C ATOM 867 OG1 THR A 57 -7.853 1.496 -10.603 1.00 0.00 O ATOM 868 CG2 THR A 57 -9.948 1.119 -9.462 1.00 0.00 C ATOM 0 H THR A 57 -7.720 -0.733 -8.876 1.00 0.00 H new ATOM 0 HA THR A 57 -9.676 -1.286 -11.008 1.00 0.00 H new ATOM 0 HB THR A 57 -9.618 1.014 -11.569 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.050 2.456 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.144 2.191 -9.466 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.892 0.578 -9.522 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.432 0.848 -8.541 1.00 0.00 H new ATOM 876 N ARG A 58 -7.824 -0.570 -12.902 1.00 0.00 N ATOM 877 CA ARG A 58 -6.815 -0.762 -13.936 1.00 0.00 C ATOM 878 C ARG A 58 -5.632 0.177 -13.722 1.00 0.00 C ATOM 879 O ARG A 58 -4.636 0.112 -14.442 1.00 0.00 O ATOM 880 CB ARG A 58 -7.422 -0.527 -15.321 1.00 0.00 C ATOM 881 CG ARG A 58 -7.945 0.885 -15.525 1.00 0.00 C ATOM 882 CD ARG A 58 -8.017 1.245 -17.001 1.00 0.00 C ATOM 883 NE ARG A 58 -7.863 2.680 -17.223 1.00 0.00 N ATOM 884 CZ ARG A 58 -6.707 3.323 -17.099 1.00 0.00 C ATOM 885 NH1 ARG A 58 -5.610 2.661 -16.758 1.00 0.00 N ATOM 886 NH2 ARG A 58 -6.646 4.630 -17.318 1.00 0.00 N ATOM 0 H ARG A 58 -8.656 -0.068 -13.213 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.457 -1.790 -13.873 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.668 -0.739 -16.079 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.238 -1.233 -15.476 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.935 0.975 -15.079 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.297 1.592 -15.008 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.238 0.709 -17.543 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.973 0.916 -17.408 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.688 3.218 -17.488 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.652 1.656 -16.590 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.724 3.157 -16.663 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.487 5.143 -17.582 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.758 5.122 -17.222 1.00 0.00 H new ATOM 900 N ASP A 59 -5.748 1.050 -12.727 1.00 0.00 N ATOM 901 CA ASP A 59 -4.689 2.002 -12.417 1.00 0.00 C ATOM 902 C ASP A 59 -4.020 1.658 -11.090 1.00 0.00 C ATOM 903 O ASP A 59 -2.876 2.041 -10.842 1.00 0.00 O ATOM 904 CB ASP A 59 -5.250 3.424 -12.366 1.00 0.00 C ATOM 905 CG ASP A 59 -4.221 4.467 -12.755 1.00 0.00 C ATOM 906 OD1 ASP A 59 -3.011 4.181 -12.636 1.00 0.00 O ATOM 907 OD2 ASP A 59 -4.626 5.569 -13.181 1.00 0.00 O ATOM 0 H ASP A 59 -6.566 1.118 -12.121 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.940 1.944 -13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.108 3.497 -13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.612 3.633 -11.359 1.00 0.00 H new ATOM 912 N SER A 60 -4.741 0.934 -10.240 1.00 0.00 N ATOM 913 CA SER A 60 -4.220 0.542 -8.935 1.00 0.00 C ATOM 914 C SER A 60 -2.855 -0.125 -9.074 1.00 0.00 C ATOM 915 O SER A 60 -2.752 -1.269 -9.519 1.00 0.00 O ATOM 916 CB SER A 60 -5.195 -0.406 -8.236 1.00 0.00 C ATOM 917 OG SER A 60 -6.228 0.313 -7.586 1.00 0.00 O ATOM 0 H SER A 60 -5.688 0.607 -10.431 1.00 0.00 H new ATOM 0 HA SER A 60 -4.106 1.442 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.628 -1.090 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.657 -1.014 -7.508 1.00 0.00 H new ATOM 0 HG SER A 60 -6.723 0.843 -8.245 1.00 0.00 H new ATOM 923 N THR A 61 -1.807 0.598 -8.691 1.00 0.00 N ATOM 924 CA THR A 61 -0.448 0.078 -8.773 1.00 0.00 C ATOM 925 C THR A 61 -0.092 -0.729 -7.529 1.00 0.00 C ATOM 926 O THR A 61 0.475 -1.813 -7.657 1.00 0.00 O ATOM 927 CB THR A 61 0.578 1.213 -8.945 1.00 0.00 C ATOM 928 OG1 THR A 61 0.563 2.066 -7.796 1.00 0.00 O ATOM 929 CG2 THR A 61 0.277 2.030 -10.193 1.00 0.00 C ATOM 0 H THR A 61 -1.874 1.546 -8.321 1.00 0.00 H new ATOM 0 HA THR A 61 -0.410 -0.572 -9.647 1.00 0.00 H new ATOM 0 HB THR A 61 1.566 0.766 -9.052 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.246 1.768 -7.159 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.015 2.826 -10.294 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.319 1.384 -11.070 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.718 2.466 -10.111 1.00 0.00 H new ATOM 937 N HIS A 62 -0.429 -0.191 -6.366 1.00 0.00 N ATOM 938 CA HIS A 62 -0.139 -0.871 -5.115 1.00 0.00 C ATOM 939 C HIS A 62 -1.438 -1.087 -4.336 1.00 0.00 C ATOM 940 O HIS A 62 -2.379 -0.295 -4.402 1.00 0.00 O ATOM 941 CB HIS A 62 0.914 -0.105 -4.312 1.00 0.00 C ATOM 942 CG HIS A 62 2.181 0.184 -5.079 1.00 0.00 C ATOM 943 ND1 HIS A 62 2.188 0.854 -6.290 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.483 -0.110 -4.795 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.442 0.951 -6.708 1.00 0.00 C ATOM 946 NE2 HIS A 62 4.242 0.352 -5.780 1.00 0.00 N ATOM 0 H HIS A 62 -0.900 0.708 -6.264 1.00 0.00 H new ATOM 0 HA HIS A 62 0.288 -1.852 -5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.483 0.837 -3.974 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.164 -0.679 -3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.836 -0.631 -3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.772 1.421 -7.622 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.257 0.272 -5.834 1.00 0.00 H new ATOM 954 N LEU A 63 -1.469 -2.186 -3.590 1.00 0.00 N ATOM 955 CA LEU A 63 -2.637 -2.533 -2.788 1.00 0.00 C ATOM 956 C LEU A 63 -2.287 -2.569 -1.304 1.00 0.00 C ATOM 957 O LEU A 63 -1.325 -3.223 -0.898 1.00 0.00 O ATOM 958 CB LEU A 63 -3.195 -3.888 -3.224 1.00 0.00 C ATOM 959 CG LEU A 63 -4.192 -4.544 -2.267 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.612 -4.115 -2.600 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.063 -6.059 -2.319 1.00 0.00 C ATOM 0 H LEU A 63 -0.699 -2.852 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.396 -1.766 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.680 -3.764 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.359 -4.572 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.964 -4.215 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.308 -4.591 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.696 -3.032 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.852 -4.414 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.780 -6.509 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.264 -6.407 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.053 -6.348 -2.030 1.00 0.00 H new ATOM 973 N ILE A 64 -3.073 -1.863 -0.498 1.00 0.00 N ATOM 974 CA ILE A 64 -2.848 -1.817 0.941 1.00 0.00 C ATOM 975 C ILE A 64 -3.591 -2.945 1.650 1.00 0.00 C ATOM 976 O ILE A 64 -4.752 -2.793 2.031 1.00 0.00 O ATOM 977 CB ILE A 64 -3.293 -0.469 1.538 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.892 0.681 0.612 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.690 -0.277 2.921 1.00 0.00 C ATOM 980 CD1 ILE A 64 -1.433 1.064 0.720 1.00 0.00 C ATOM 0 H ILE A 64 -3.872 -1.315 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.776 -1.937 1.097 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.379 -0.472 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.110 0.400 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.506 1.552 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.014 0.680 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.021 -1.082 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.602 -0.291 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.221 1.885 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.214 1.377 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.812 0.207 0.462 1.00 0.00 H new ATOM 992 N CYS A 65 -2.913 -4.074 1.826 1.00 0.00 N ATOM 993 CA CYS A 65 -3.509 -5.227 2.490 1.00 0.00 C ATOM 994 C CYS A 65 -3.145 -5.249 3.971 1.00 0.00 C ATOM 995 O CYS A 65 -1.981 -5.416 4.333 1.00 0.00 O ATOM 996 CB CYS A 65 -3.047 -6.522 1.821 1.00 0.00 C ATOM 997 SG CYS A 65 -3.685 -8.024 2.599 1.00 0.00 S ATOM 0 H CYS A 65 -1.951 -4.215 1.518 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.592 -5.147 2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.355 -6.508 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.958 -6.555 1.832 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.903 -8.237 2.198 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.150 -5.077 4.824 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.936 -5.077 6.266 1.00 0.00 C ATOM 1005 C ALA A 66 -3.515 -6.458 6.759 1.00 0.00 C ATOM 1006 O ALA A 66 -2.712 -6.579 7.684 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.196 -4.619 6.987 1.00 0.00 C ATOM 0 H ALA A 66 -5.120 -4.936 4.541 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.129 -4.379 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.022 -4.624 8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.453 -3.610 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.017 -5.295 6.749 1.00 0.00 H new ATOM 1013 N PHE A 67 -4.062 -7.496 6.135 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.744 -8.868 6.511 1.00 0.00 C ATOM 1015 C PHE A 67 -4.111 -9.838 5.392 1.00 0.00 C ATOM 1016 O PHE A 67 -5.124 -9.665 4.715 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.481 -9.251 7.796 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.843 -8.628 7.914 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.999 -7.376 8.487 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -6.966 -9.295 7.453 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.251 -6.800 8.597 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -8.220 -8.724 7.560 1.00 0.00 C ATOM 1023 CZ PHE A 67 -8.363 -7.476 8.134 1.00 0.00 C ATOM 0 H PHE A 67 -4.728 -7.413 5.367 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.670 -8.931 6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.581 -10.336 7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.878 -8.953 8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.133 -6.844 8.852 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.861 -10.272 7.005 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.359 -5.823 9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.088 -9.253 7.195 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.343 -7.029 8.221 1.00 0.00 H new ATOM 1033 N ALA A 68 -3.280 -10.858 5.205 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.518 -11.857 4.170 1.00 0.00 C ATOM 1035 C ALA A 68 -4.841 -12.579 4.398 1.00 0.00 C ATOM 1036 O ALA A 68 -5.597 -12.239 5.307 1.00 0.00 O ATOM 1037 CB ALA A 68 -2.370 -12.854 4.125 1.00 0.00 C ATOM 0 H ALA A 68 -2.436 -11.014 5.756 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.576 -11.344 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.561 -13.594 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.440 -12.329 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.285 -13.355 5.090 1.00 0.00 H new ATOM 1043 N ASN A 69 -5.115 -13.579 3.565 1.00 0.00 N ATOM 1044 CA ASN A 69 -6.349 -14.349 3.676 1.00 0.00 C ATOM 1045 C ASN A 69 -7.566 -13.469 3.405 1.00 0.00 C ATOM 1046 O ASN A 69 -8.665 -13.745 3.886 1.00 0.00 O ATOM 1047 CB ASN A 69 -6.459 -14.977 5.067 1.00 0.00 C ATOM 1048 CG ASN A 69 -5.149 -15.582 5.534 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -4.574 -15.149 6.533 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -4.671 -16.588 4.811 1.00 0.00 N ATOM 0 H ASN A 69 -4.500 -13.874 2.807 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.322 -15.141 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.780 -14.218 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.228 -15.749 5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.793 -17.035 5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.182 -16.914 3.990 1.00 0.00 H new ATOM 1057 N THR A 70 -7.362 -12.409 2.630 1.00 0.00 N ATOM 1058 CA THR A 70 -8.440 -11.488 2.295 1.00 0.00 C ATOM 1059 C THR A 70 -8.820 -11.598 0.823 1.00 0.00 C ATOM 1060 O THR A 70 -8.051 -12.086 -0.007 1.00 0.00 O ATOM 1061 CB THR A 70 -8.052 -10.030 2.605 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.640 -9.855 2.444 1.00 0.00 O ATOM 1063 CG2 THR A 70 -8.456 -9.652 4.022 1.00 0.00 C ATOM 0 H THR A 70 -6.459 -12.167 2.222 1.00 0.00 H new ATOM 0 HA THR A 70 -9.295 -11.767 2.911 1.00 0.00 H new ATOM 0 HB THR A 70 -8.581 -9.380 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.215 -9.800 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.172 -8.618 4.218 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.535 -9.759 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.951 -10.308 4.731 1.00 0.00 H new ATOM 1071 N PRO A 71 -10.033 -11.135 0.487 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.542 -11.170 -0.887 1.00 0.00 C ATOM 1073 C PRO A 71 -9.808 -10.194 -1.801 1.00 0.00 C ATOM 1074 O PRO A 71 -9.844 -10.327 -3.025 1.00 0.00 O ATOM 1075 CB PRO A 71 -12.008 -10.759 -0.734 1.00 0.00 C ATOM 1076 CG PRO A 71 -12.046 -9.950 0.517 1.00 0.00 C ATOM 1077 CD PRO A 71 -11.002 -10.541 1.424 1.00 0.00 C ATOM 0 HA PRO A 71 -10.406 -12.149 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.348 -10.178 -1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.658 -11.631 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.834 -8.901 0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.033 -9.991 0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.539 -9.781 2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.427 -11.291 2.091 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.143 -9.213 -1.201 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.399 -8.215 -1.960 1.00 0.00 C ATOM 1087 C LYS A 72 -6.953 -8.654 -2.163 1.00 0.00 C ATOM 1088 O LYS A 72 -6.256 -8.141 -3.039 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.438 -6.865 -1.241 1.00 0.00 C ATOM 1090 CG LYS A 72 -9.610 -5.990 -1.651 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.244 -5.073 -2.806 1.00 0.00 C ATOM 1092 CE LYS A 72 -9.542 -5.722 -4.149 1.00 0.00 C ATOM 1093 NZ LYS A 72 -10.981 -6.080 -4.285 1.00 0.00 N ATOM 0 H LYS A 72 -9.104 -9.088 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.870 -8.112 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.483 -7.037 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.509 -6.330 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.452 -6.619 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.934 -5.392 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.800 -4.139 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.185 -4.820 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.260 -5.041 -4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.932 -6.619 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.069 -7.101 -4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.483 -5.838 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.397 -5.552 -5.078 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.508 -9.606 -1.351 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.144 -10.113 -1.441 1.00 0.00 C ATOM 1109 C TYR A 73 -4.991 -11.057 -2.630 1.00 0.00 C ATOM 1110 O TYR A 73 -4.061 -10.927 -3.425 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.759 -10.835 -0.149 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.589 -11.779 -0.309 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -3.783 -13.098 -0.699 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -2.288 -11.352 -0.069 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -2.717 -13.965 -0.845 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.216 -12.211 -0.214 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.436 -13.516 -0.602 1.00 0.00 C ATOM 1118 OH TYR A 73 -0.371 -14.375 -0.747 1.00 0.00 O ATOM 0 H TYR A 73 -7.073 -10.043 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.477 -9.263 -1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.516 -10.094 0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.620 -11.395 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.785 -13.452 -0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.112 -10.331 0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.886 -14.988 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.211 -11.863 -0.025 1.00 0.00 H new ATOM 0 HH TYR A 73 0.462 -13.902 -0.539 1.00 0.00 H new ATOM 1128 N SER A 74 -5.913 -12.007 -2.744 1.00 0.00 N ATOM 1129 CA SER A 74 -5.881 -12.977 -3.833 1.00 0.00 C ATOM 1130 C SER A 74 -6.291 -12.327 -5.151 1.00 0.00 C ATOM 1131 O SER A 74 -5.818 -12.714 -6.219 1.00 0.00 O ATOM 1132 CB SER A 74 -6.806 -14.155 -3.523 1.00 0.00 C ATOM 1133 OG SER A 74 -6.126 -15.158 -2.789 1.00 0.00 O ATOM 0 H SER A 74 -6.692 -12.126 -2.096 1.00 0.00 H new ATOM 0 HA SER A 74 -4.859 -13.343 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.668 -13.805 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.188 -14.576 -4.453 1.00 0.00 H new ATOM 0 HG SER A 74 -6.739 -15.899 -2.602 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.175 -11.337 -5.066 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.650 -10.634 -6.252 1.00 0.00 C ATOM 1141 C GLN A 75 -6.496 -9.946 -6.975 1.00 0.00 C ATOM 1142 O GLN A 75 -6.216 -10.238 -8.138 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.713 -9.604 -5.868 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.303 -8.866 -7.058 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.464 -7.970 -6.673 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -11.360 -8.378 -5.933 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -10.454 -6.740 -7.173 1.00 0.00 N ATOM 0 H GLN A 75 -7.576 -11.004 -4.189 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.092 -11.368 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.516 -10.107 -5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.274 -8.879 -5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.526 -8.264 -7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.639 -9.591 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.692 -6.443 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.209 -6.092 -6.948 1.00 0.00 H new ATOM 1156 N VAL A 76 -5.830 -9.030 -6.279 1.00 0.00 N ATOM 1157 CA VAL A 76 -4.706 -8.301 -6.854 1.00 0.00 C ATOM 1158 C VAL A 76 -3.525 -9.228 -7.115 1.00 0.00 C ATOM 1159 O VAL A 76 -2.593 -8.876 -7.840 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.251 -7.154 -5.932 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.164 -6.328 -6.604 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -5.434 -6.279 -5.546 1.00 0.00 C ATOM 0 H VAL A 76 -6.050 -8.775 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.051 -7.882 -7.800 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.836 -7.586 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.855 -5.522 -5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.307 -6.965 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.550 -5.904 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.094 -5.474 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.881 -5.854 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.176 -6.881 -5.022 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.570 -10.416 -6.522 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.503 -11.396 -6.690 1.00 0.00 C ATOM 1174 C LEU A 77 -2.628 -12.112 -8.031 1.00 0.00 C ATOM 1175 O LEU A 77 -1.665 -12.200 -8.792 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.535 -12.416 -5.550 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.571 -13.596 -5.677 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -0.143 -13.102 -5.845 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.684 -14.509 -4.465 1.00 0.00 C ATOM 0 H LEU A 77 -4.334 -10.724 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.551 -10.866 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.319 -11.895 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.549 -12.808 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.841 -14.169 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.529 -13.955 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.073 -12.490 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.140 -12.506 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.991 -15.343 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.440 -13.948 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.702 -14.890 -4.391 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.824 -12.620 -8.316 1.00 0.00 N ATOM 1192 CA GLY A 78 -4.054 -13.320 -9.567 1.00 0.00 C ATOM 1193 C GLY A 78 -3.846 -12.430 -10.776 1.00 0.00 C ATOM 1194 O GLY A 78 -3.409 -12.893 -11.830 1.00 0.00 O ATOM 0 H GLY A 78 -4.637 -12.559 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.382 -14.176 -9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.071 -13.712 -9.579 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.161 -11.148 -10.625 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.008 -10.190 -11.715 1.00 0.00 C ATOM 1200 C LEU A 79 -2.534 -9.907 -11.989 1.00 0.00 C ATOM 1201 O LEU A 79 -2.051 -10.105 -13.103 1.00 0.00 O ATOM 1202 CB LEU A 79 -4.735 -8.886 -11.380 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.250 -8.990 -11.198 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -6.742 -7.943 -10.211 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -6.959 -8.839 -12.536 1.00 0.00 C ATOM 0 H LEU A 79 -4.524 -10.748 -9.759 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.449 -10.625 -12.612 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.306 -8.479 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.533 -8.167 -12.173 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.482 -9.976 -10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.822 -8.032 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.259 -8.097 -9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.498 -6.948 -10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.036 -8.916 -12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.720 -7.867 -12.967 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.629 -9.627 -13.213 1.00 0.00 H new ATOM 1217 N GLY A 80 -1.825 -9.446 -10.964 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.413 -9.146 -11.114 1.00 0.00 C ATOM 1219 C GLY A 80 -0.049 -7.779 -10.569 1.00 0.00 C ATOM 1220 O GLY A 80 0.892 -7.144 -11.042 1.00 0.00 O ATOM 0 H GLY A 80 -2.203 -9.275 -10.032 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.174 -9.907 -10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.144 -9.196 -12.169 1.00 0.00 H new ATOM 1224 N GLY A 81 -0.799 -7.323 -9.570 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.536 -6.025 -8.977 1.00 0.00 C ATOM 1226 C GLY A 81 0.479 -6.095 -7.853 1.00 0.00 C ATOM 1227 O GLY A 81 0.900 -7.181 -7.456 1.00 0.00 O ATOM 0 H GLY A 81 -1.584 -7.830 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.174 -5.344 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.468 -5.608 -8.595 1.00 0.00 H new ATOM 1231 N ARG A 82 0.874 -4.934 -7.341 1.00 0.00 N ATOM 1232 CA ARG A 82 1.848 -4.868 -6.258 1.00 0.00 C ATOM 1233 C ARG A 82 1.157 -4.949 -4.900 1.00 0.00 C ATOM 1234 O ARG A 82 0.703 -3.939 -4.363 1.00 0.00 O ATOM 1235 CB ARG A 82 2.661 -3.576 -6.353 1.00 0.00 C ATOM 1236 CG ARG A 82 4.054 -3.687 -5.755 1.00 0.00 C ATOM 1237 CD ARG A 82 5.034 -2.755 -6.449 1.00 0.00 C ATOM 1238 NE ARG A 82 5.659 -3.384 -7.609 1.00 0.00 N ATOM 1239 CZ ARG A 82 6.178 -2.702 -8.624 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.147 -1.376 -8.621 1.00 0.00 N ATOM 1241 NH2 ARG A 82 6.729 -3.346 -9.645 1.00 0.00 N ATOM 0 H ARG A 82 0.535 -4.026 -7.659 1.00 0.00 H new ATOM 0 HA ARG A 82 2.521 -5.720 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.747 -3.287 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.119 -2.778 -5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.015 -3.449 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.406 -4.715 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.513 -1.851 -6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.806 -2.449 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 82 5.699 -4.403 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.724 -0.878 -7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.546 -0.855 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.754 -4.366 -9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.127 -2.821 -10.424 1.00 0.00 H new ATOM 1255 N ILE A 83 1.082 -6.157 -4.352 1.00 0.00 N ATOM 1256 CA ILE A 83 0.447 -6.370 -3.057 1.00 0.00 C ATOM 1257 C ILE A 83 1.421 -6.096 -1.916 1.00 0.00 C ATOM 1258 O ILE A 83 2.470 -6.732 -1.814 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.092 -7.806 -2.923 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -0.954 -8.166 -4.134 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.889 -7.955 -1.636 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.232 -9.647 -4.260 1.00 0.00 C ATOM 0 H ILE A 83 1.453 -7.003 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.387 -5.671 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 83 0.753 -8.493 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.901 -7.631 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.456 -7.820 -5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.263 -8.976 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.247 -7.736 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.729 -7.260 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.848 -9.828 -5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.290 -10.187 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.758 -9.995 -3.371 1.00 0.00 H new ATOM 1274 N VAL A 84 1.066 -5.145 -1.058 1.00 0.00 N ATOM 1275 CA VAL A 84 1.907 -4.788 0.079 1.00 0.00 C ATOM 1276 C VAL A 84 1.069 -4.558 1.331 1.00 0.00 C ATOM 1277 O VAL A 84 -0.160 -4.617 1.288 1.00 0.00 O ATOM 1278 CB VAL A 84 2.735 -3.522 -0.212 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.810 -3.813 -1.248 1.00 0.00 C ATOM 1280 CG2 VAL A 84 1.831 -2.389 -0.673 1.00 0.00 C ATOM 0 H VAL A 84 0.202 -4.608 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 84 2.584 -5.625 0.248 1.00 0.00 H new ATOM 0 HB VAL A 84 3.228 -3.211 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.385 -2.907 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.475 -4.592 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.342 -4.149 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.432 -1.502 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.309 -2.687 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.103 -2.164 0.106 1.00 0.00 H new ATOM 1290 N ARG A 85 1.742 -4.295 2.447 1.00 0.00 N ATOM 1291 CA ARG A 85 1.060 -4.057 3.713 1.00 0.00 C ATOM 1292 C ARG A 85 0.855 -2.563 3.947 1.00 0.00 C ATOM 1293 O ARG A 85 1.215 -1.736 3.108 1.00 0.00 O ATOM 1294 CB ARG A 85 1.859 -4.660 4.869 1.00 0.00 C ATOM 1295 CG ARG A 85 1.715 -6.169 4.987 1.00 0.00 C ATOM 1296 CD ARG A 85 2.640 -6.735 6.053 1.00 0.00 C ATOM 1297 NE ARG A 85 2.235 -8.073 6.475 1.00 0.00 N ATOM 1298 CZ ARG A 85 2.699 -8.672 7.566 1.00 0.00 C ATOM 1299 NH1 ARG A 85 3.578 -8.054 8.342 1.00 0.00 N ATOM 1300 NH2 ARG A 85 2.282 -9.891 7.883 1.00 0.00 N ATOM 0 H ARG A 85 2.759 -4.241 2.500 1.00 0.00 H new ATOM 0 HA ARG A 85 0.083 -4.538 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.913 -4.413 4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.536 -4.199 5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.682 -6.419 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.938 -6.633 4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.659 -6.769 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.648 -6.070 6.916 1.00 0.00 H new ATOM 0 HE ARG A 85 1.558 -8.575 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.900 -7.116 8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.933 -8.516 9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.605 -10.369 7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.639 -10.350 8.721 1.00 0.00 H new ATOM 1314 N LYS A 86 0.275 -2.223 5.093 1.00 0.00 N ATOM 1315 CA LYS A 86 0.022 -0.829 5.440 1.00 0.00 C ATOM 1316 C LYS A 86 1.301 -0.145 5.911 1.00 0.00 C ATOM 1317 O LYS A 86 1.470 1.061 5.737 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.048 -0.739 6.530 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.768 -1.625 7.732 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.699 -1.305 8.889 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.145 -1.821 10.209 1.00 0.00 C ATOM 1322 NZ LYS A 86 -1.462 -3.261 10.418 1.00 0.00 N ATOM 0 H LYS A 86 -0.029 -2.894 5.798 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.335 -0.317 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.129 0.296 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.013 -1.013 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.884 -2.671 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.267 -1.493 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.846 -0.227 8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.677 -1.750 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.064 -1.680 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.558 -1.235 11.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.068 -3.575 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.494 -3.392 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.046 -3.823 9.648 1.00 0.00 H new ATOM 1336 N GLU A 87 2.199 -0.924 6.506 1.00 0.00 N ATOM 1337 CA GLU A 87 3.463 -0.392 7.001 1.00 0.00 C ATOM 1338 C GLU A 87 4.087 0.562 5.986 1.00 0.00 C ATOM 1339 O GLU A 87 4.761 1.524 6.354 1.00 0.00 O ATOM 1340 CB GLU A 87 4.436 -1.532 7.310 1.00 0.00 C ATOM 1341 CG GLU A 87 3.977 -2.434 8.443 1.00 0.00 C ATOM 1342 CD GLU A 87 3.730 -1.672 9.731 1.00 0.00 C ATOM 1343 OE1 GLU A 87 4.430 -0.666 9.969 1.00 0.00 O ATOM 1344 OE2 GLU A 87 2.837 -2.083 10.501 1.00 0.00 O ATOM 0 H GLU A 87 2.075 -1.925 6.657 1.00 0.00 H new ATOM 0 HA GLU A 87 3.260 0.162 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.575 -2.133 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.408 -1.110 7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.062 -2.946 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.730 -3.203 8.618 1.00 0.00 H new ATOM 1351 N TRP A 88 3.857 0.287 4.707 1.00 0.00 N ATOM 1352 CA TRP A 88 4.396 1.120 3.638 1.00 0.00 C ATOM 1353 C TRP A 88 3.908 2.559 3.769 1.00 0.00 C ATOM 1354 O TRP A 88 4.706 3.485 3.916 1.00 0.00 O ATOM 1355 CB TRP A 88 3.997 0.556 2.273 1.00 0.00 C ATOM 1356 CG TRP A 88 4.663 1.252 1.125 1.00 0.00 C ATOM 1357 CD1 TRP A 88 5.998 1.500 0.980 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.025 1.790 -0.038 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.228 2.160 -0.203 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.034 2.349 -0.846 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.699 1.852 -0.477 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.757 2.963 -2.065 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.426 2.462 -1.686 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.450 3.010 -2.470 1.00 0.00 C ATOM 0 H TRP A 88 3.301 -0.506 4.385 1.00 0.00 H new ATOM 0 HA TRP A 88 5.483 1.116 3.722 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.246 -0.505 2.239 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.916 0.634 2.158 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.761 1.219 1.691 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.140 2.460 -0.546 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.903 1.431 0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.545 3.387 -2.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.405 2.518 -2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.204 3.478 -3.411 1.00 0.00 H new ATOM 1375 N VAL A 89 2.592 2.740 3.717 1.00 0.00 N ATOM 1376 CA VAL A 89 1.997 4.066 3.832 1.00 0.00 C ATOM 1377 C VAL A 89 2.361 4.718 5.161 1.00 0.00 C ATOM 1378 O VAL A 89 2.850 5.848 5.198 1.00 0.00 O ATOM 1379 CB VAL A 89 0.464 4.007 3.704 1.00 0.00 C ATOM 1380 CG1 VAL A 89 -0.140 5.393 3.870 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.064 3.399 2.368 1.00 0.00 C ATOM 0 H VAL A 89 1.918 1.984 3.596 1.00 0.00 H new ATOM 0 HA VAL A 89 2.399 4.665 3.015 1.00 0.00 H new ATOM 0 HB VAL A 89 0.075 3.370 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.224 5.331 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.117 5.787 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.253 6.056 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.023 3.365 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.464 4.008 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.464 2.388 2.294 1.00 0.00 H new ATOM 1391 N LEU A 90 2.118 3.999 6.252 1.00 0.00 N ATOM 1392 CA LEU A 90 2.421 4.507 7.586 1.00 0.00 C ATOM 1393 C LEU A 90 3.845 5.049 7.652 1.00 0.00 C ATOM 1394 O LEU A 90 4.061 6.214 7.987 1.00 0.00 O ATOM 1395 CB LEU A 90 2.234 3.402 8.627 1.00 0.00 C ATOM 1396 CG LEU A 90 0.844 2.769 8.693 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.893 1.450 9.448 1.00 0.00 C ATOM 1398 CD2 LEU A 90 -0.147 3.722 9.345 1.00 0.00 C ATOM 0 H LEU A 90 1.712 3.063 6.239 1.00 0.00 H new ATOM 0 HA LEU A 90 1.732 5.323 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.960 2.615 8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.471 3.812 9.609 1.00 0.00 H new ATOM 0 HG LEU A 90 0.509 2.569 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.106 1.014 9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.570 0.764 8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.250 1.625 10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.131 3.254 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.184 3.954 10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.205 4.641 8.762 1.00 0.00 H new ATOM 1410 N ASP A 91 4.812 4.198 7.329 1.00 0.00 N ATOM 1411 CA ASP A 91 6.216 4.592 7.349 1.00 0.00 C ATOM 1412 C ASP A 91 6.480 5.712 6.347 1.00 0.00 C ATOM 1413 O ASP A 91 7.211 6.659 6.639 1.00 0.00 O ATOM 1414 CB ASP A 91 7.110 3.391 7.036 1.00 0.00 C ATOM 1415 CG ASP A 91 7.136 2.380 8.166 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.112 2.249 8.868 1.00 0.00 O ATOM 1417 OD2 ASP A 91 8.180 1.719 8.347 1.00 0.00 O ATOM 0 H ASP A 91 4.650 3.230 7.050 1.00 0.00 H new ATOM 0 HA ASP A 91 6.450 4.959 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.757 2.906 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.124 3.738 6.839 1.00 0.00 H new ATOM 1422 N CYS A 92 5.881 5.597 5.167 1.00 0.00 N ATOM 1423 CA CYS A 92 6.052 6.599 4.122 1.00 0.00 C ATOM 1424 C CYS A 92 5.653 7.983 4.624 1.00 0.00 C ATOM 1425 O CYS A 92 6.375 8.946 4.373 1.00 0.00 O ATOM 1426 CB CYS A 92 5.222 6.230 2.892 1.00 0.00 C ATOM 1427 SG CYS A 92 6.080 5.157 1.717 1.00 0.00 S ATOM 0 H CYS A 92 5.273 4.820 4.910 1.00 0.00 H new ATOM 0 HA CYS A 92 7.106 6.623 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.308 5.735 3.219 1.00 0.00 H new ATOM 0 HB3 CYS A 92 4.923 7.145 2.381 1.00 0.00 H new ATOM 0 HG CYS A 92 5.793 3.915 1.974 1.00 0.00 H new ATOM 1433 N HIS A 93 4.523 8.051 5.312 1.00 0.00 N ATOM 1434 CA HIS A 93 4.042 9.318 5.838 1.00 0.00 C ATOM 1435 C HIS A 93 4.845 9.693 7.086 1.00 0.00 C ATOM 1436 O HIS A 93 5.515 10.724 7.145 1.00 0.00 O ATOM 1437 CB HIS A 93 2.536 9.262 6.097 1.00 0.00 C ATOM 1438 CG HIS A 93 1.907 10.610 6.356 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.722 11.119 7.629 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.423 11.548 5.492 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.151 12.310 7.525 1.00 0.00 C ATOM 1442 NE2 HIS A 93 0.966 12.574 6.200 1.00 0.00 N ATOM 0 H HIS A 93 3.926 7.250 5.518 1.00 0.00 H new ATOM 0 HA HIS A 93 4.195 10.105 5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.047 8.803 5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.349 8.615 6.954 1.00 0.00 H new ATOM 0 HD1 HIS A 93 1.981 10.656 8.500 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.413 11.469 4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.880 12.958 8.345 1.00 0.00 H new ATOM 1450 N ARG A 94 4.762 8.825 8.089 1.00 0.00 N ATOM 1451 CA ARG A 94 5.468 9.041 9.346 1.00 0.00 C ATOM 1452 C ARG A 94 6.891 9.531 9.093 1.00 0.00 C ATOM 1453 O ARG A 94 7.431 10.323 9.865 1.00 0.00 O ATOM 1454 CB ARG A 94 5.500 7.750 10.165 1.00 0.00 C ATOM 1455 CG ARG A 94 6.000 7.943 11.588 1.00 0.00 C ATOM 1456 CD ARG A 94 4.937 8.580 12.470 1.00 0.00 C ATOM 1457 NE ARG A 94 3.925 7.615 12.891 1.00 0.00 N ATOM 1458 CZ ARG A 94 2.846 7.941 13.594 1.00 0.00 C ATOM 1459 NH1 ARG A 94 2.639 9.200 13.951 1.00 0.00 N ATOM 1460 NH2 ARG A 94 1.970 7.005 13.939 1.00 0.00 N ATOM 0 H ARG A 94 4.213 7.966 8.056 1.00 0.00 H new ATOM 0 HA ARG A 94 4.933 9.807 9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.497 7.325 10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.138 7.025 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.292 6.980 12.006 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.891 8.570 11.580 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.410 9.017 13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.457 9.395 11.928 1.00 0.00 H new ATOM 0 HE ARG A 94 4.054 6.637 12.631 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.309 9.922 13.686 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.810 9.447 14.491 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.125 6.035 13.664 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.142 7.256 14.479 1.00 0.00 H new ATOM 1474 N MET A 95 7.492 9.054 8.008 1.00 0.00 N ATOM 1475 CA MET A 95 8.851 9.445 7.654 1.00 0.00 C ATOM 1476 C MET A 95 8.848 10.431 6.490 1.00 0.00 C ATOM 1477 O MET A 95 9.869 11.045 6.181 1.00 0.00 O ATOM 1478 CB MET A 95 9.680 8.212 7.290 1.00 0.00 C ATOM 1479 CG MET A 95 9.796 7.202 8.420 1.00 0.00 C ATOM 1480 SD MET A 95 11.303 6.217 8.321 1.00 0.00 S ATOM 1481 CE MET A 95 10.622 4.578 8.084 1.00 0.00 C ATOM 0 H MET A 95 7.059 8.396 7.359 1.00 0.00 H new ATOM 0 HA MET A 95 9.299 9.933 8.519 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.232 7.726 6.424 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.680 8.531 6.995 1.00 0.00 H new ATOM 0 HG2 MET A 95 9.772 7.727 9.375 1.00 0.00 H new ATOM 0 HG3 MET A 95 8.931 6.539 8.399 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.374 3.831 8.338 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.751 4.449 8.727 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.325 4.454 7.043 1.00 0.00 H new ATOM 1491 N ARG A 96 7.693 10.577 5.847 1.00 0.00 N ATOM 1492 CA ARG A 96 7.558 11.488 4.717 1.00 0.00 C ATOM 1493 C ARG A 96 8.631 11.214 3.667 1.00 0.00 C ATOM 1494 O ARG A 96 9.215 12.141 3.105 1.00 0.00 O ATOM 1495 CB ARG A 96 7.652 12.940 5.190 1.00 0.00 C ATOM 1496 CG ARG A 96 6.899 13.208 6.483 1.00 0.00 C ATOM 1497 CD ARG A 96 7.281 14.553 7.080 1.00 0.00 C ATOM 1498 NE ARG A 96 8.666 14.572 7.546 1.00 0.00 N ATOM 1499 CZ ARG A 96 9.230 15.623 8.130 1.00 0.00 C ATOM 1500 NH1 ARG A 96 8.533 16.735 8.320 1.00 0.00 N ATOM 1501 NH2 ARG A 96 10.495 15.563 8.526 1.00 0.00 N ATOM 0 H ARG A 96 6.838 10.076 6.090 1.00 0.00 H new ATOM 0 HA ARG A 96 6.580 11.323 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.701 13.201 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.262 13.594 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.826 13.185 6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.112 12.416 7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.139 15.334 6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.615 14.782 7.912 1.00 0.00 H new ATOM 0 HE ARG A 96 9.230 13.732 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.560 16.785 8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.970 17.540 8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.035 14.709 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.928 16.370 8.974 1.00 0.00 H new ATOM 1515 N ARG A 97 8.885 9.935 3.408 1.00 0.00 N ATOM 1516 CA ARG A 97 9.889 9.539 2.427 1.00 0.00 C ATOM 1517 C ARG A 97 9.385 8.381 1.571 1.00 0.00 C ATOM 1518 O ARG A 97 8.388 7.740 1.902 1.00 0.00 O ATOM 1519 CB ARG A 97 11.189 9.140 3.129 1.00 0.00 C ATOM 1520 CG ARG A 97 11.032 7.964 4.078 1.00 0.00 C ATOM 1521 CD ARG A 97 12.374 7.518 4.639 1.00 0.00 C ATOM 1522 NE ARG A 97 12.954 8.518 5.531 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.132 8.376 6.128 1.00 0.00 C ATOM 1524 NH1 ARG A 97 14.852 7.281 5.928 1.00 0.00 N ATOM 1525 NH2 ARG A 97 14.592 9.330 6.927 1.00 0.00 N ATOM 0 H ARG A 97 8.410 9.156 3.863 1.00 0.00 H new ATOM 0 HA ARG A 97 10.082 10.392 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.937 8.891 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.569 9.997 3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.368 8.242 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.561 7.132 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.247 6.580 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.063 7.322 3.818 1.00 0.00 H new ATOM 0 HE ARG A 97 12.425 9.373 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.502 6.545 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.756 7.174 6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.041 10.174 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.497 9.220 7.385 1.00 0.00 H new ATOM 1539 N ARG A 98 10.080 8.121 0.469 1.00 0.00 N ATOM 1540 CA ARG A 98 9.702 7.042 -0.436 1.00 0.00 C ATOM 1541 C ARG A 98 10.435 5.752 -0.080 1.00 0.00 C ATOM 1542 O ARG A 98 11.660 5.673 -0.180 1.00 0.00 O ATOM 1543 CB ARG A 98 10.007 7.432 -1.884 1.00 0.00 C ATOM 1544 CG ARG A 98 9.569 6.390 -2.900 1.00 0.00 C ATOM 1545 CD ARG A 98 9.549 6.960 -4.310 1.00 0.00 C ATOM 1546 NE ARG A 98 9.316 5.927 -5.315 1.00 0.00 N ATOM 1547 CZ ARG A 98 8.130 5.371 -5.535 1.00 0.00 C ATOM 1548 NH1 ARG A 98 7.075 5.746 -4.825 1.00 0.00 N ATOM 1549 NH2 ARG A 98 7.997 4.436 -6.468 1.00 0.00 N ATOM 0 H ARG A 98 10.908 8.643 0.181 1.00 0.00 H new ATOM 0 HA ARG A 98 8.631 6.872 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.512 8.377 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.079 7.601 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.245 5.536 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.576 6.023 -2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.770 7.719 -4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.498 7.456 -4.514 1.00 0.00 H new ATOM 0 HE ARG A 98 10.107 5.615 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.173 6.464 -4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.166 5.317 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.806 4.144 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.086 4.009 -6.636 1.00 0.00 H new ATOM 1563 N LEU A 99 9.677 4.743 0.336 1.00 0.00 N ATOM 1564 CA LEU A 99 10.254 3.456 0.708 1.00 0.00 C ATOM 1565 C LEU A 99 10.041 2.425 -0.396 1.00 0.00 C ATOM 1566 O LEU A 99 9.011 2.404 -1.069 1.00 0.00 O ATOM 1567 CB LEU A 99 9.635 2.956 2.015 1.00 0.00 C ATOM 1568 CG LEU A 99 9.662 3.936 3.188 1.00 0.00 C ATOM 1569 CD1 LEU A 99 8.970 3.336 4.401 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.095 4.324 3.526 1.00 0.00 C ATOM 0 H LEU A 99 8.662 4.791 0.424 1.00 0.00 H new ATOM 0 HA LEU A 99 11.326 3.593 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.598 2.681 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.155 2.046 2.315 1.00 0.00 H new ATOM 0 HG LEU A 99 9.122 4.837 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.999 4.048 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.933 3.110 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.481 2.419 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.095 5.022 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.659 3.432 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.558 4.796 2.660 1.00 0.00 H new ATOM 1582 N PRO A 100 11.037 1.546 -0.585 1.00 0.00 N ATOM 1583 CA PRO A 100 10.981 0.494 -1.604 1.00 0.00 C ATOM 1584 C PRO A 100 9.960 -0.587 -1.266 1.00 0.00 C ATOM 1585 O PRO A 100 10.267 -1.544 -0.555 1.00 0.00 O ATOM 1586 CB PRO A 100 12.397 -0.086 -1.593 1.00 0.00 C ATOM 1587 CG PRO A 100 12.915 0.205 -0.227 1.00 0.00 C ATOM 1588 CD PRO A 100 12.293 1.512 0.181 1.00 0.00 C ATOM 0 HA PRO A 100 10.672 0.883 -2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.387 -1.157 -1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.020 0.376 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.647 -0.589 0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.003 0.274 -0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.110 1.552 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.936 2.357 -0.064 1.00 0.00 H new ATOM 1596 N SER A 101 8.744 -0.428 -1.779 1.00 0.00 N ATOM 1597 CA SER A 101 7.677 -1.389 -1.528 1.00 0.00 C ATOM 1598 C SER A 101 8.153 -2.813 -1.798 1.00 0.00 C ATOM 1599 O SER A 101 7.575 -3.777 -1.298 1.00 0.00 O ATOM 1600 CB SER A 101 6.461 -1.072 -2.401 1.00 0.00 C ATOM 1601 OG SER A 101 6.839 -0.885 -3.754 1.00 0.00 O ATOM 0 H SER A 101 8.474 0.357 -2.371 1.00 0.00 H new ATOM 0 HA SER A 101 7.393 -1.313 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.738 -1.884 -2.331 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.968 -0.173 -2.030 1.00 0.00 H new ATOM 0 HG SER A 101 6.037 -0.844 -4.315 1.00 0.00 H new ATOM 1607 N GLN A 102 9.212 -2.935 -2.592 1.00 0.00 N ATOM 1608 CA GLN A 102 9.766 -4.241 -2.930 1.00 0.00 C ATOM 1609 C GLN A 102 10.075 -5.044 -1.670 1.00 0.00 C ATOM 1610 O GLN A 102 10.104 -6.274 -1.698 1.00 0.00 O ATOM 1611 CB GLN A 102 11.035 -4.079 -3.769 1.00 0.00 C ATOM 1612 CG GLN A 102 11.806 -5.374 -3.963 1.00 0.00 C ATOM 1613 CD GLN A 102 13.072 -5.184 -4.775 1.00 0.00 C ATOM 1614 OE1 GLN A 102 13.387 -4.074 -5.205 1.00 0.00 O ATOM 1615 NE2 GLN A 102 13.808 -6.269 -4.988 1.00 0.00 N ATOM 0 H GLN A 102 9.703 -2.146 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 102 9.021 -4.784 -3.512 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.766 -3.677 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.686 -3.347 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.063 -5.789 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.166 -6.102 -4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.510 -7.169 -4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.672 -6.202 -5.526 1.00 0.00 H new ATOM 1624 N ARG A 103 10.305 -4.339 -0.567 1.00 0.00 N ATOM 1625 CA ARG A 103 10.613 -4.986 0.702 1.00 0.00 C ATOM 1626 C ARG A 103 9.344 -5.214 1.518 1.00 0.00 C ATOM 1627 O ARG A 103 9.344 -5.976 2.485 1.00 0.00 O ATOM 1628 CB ARG A 103 11.603 -4.138 1.504 1.00 0.00 C ATOM 1629 CG ARG A 103 13.043 -4.281 1.040 1.00 0.00 C ATOM 1630 CD ARG A 103 14.023 -3.922 2.147 1.00 0.00 C ATOM 1631 NE ARG A 103 15.364 -3.666 1.628 1.00 0.00 N ATOM 1632 CZ ARG A 103 16.355 -3.175 2.364 1.00 0.00 C ATOM 1633 NH1 ARG A 103 16.157 -2.890 3.643 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.548 -2.970 1.820 1.00 0.00 N ATOM 0 H ARG A 103 10.284 -3.320 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 103 11.065 -5.954 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.310 -3.090 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.540 -4.418 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.221 -5.305 0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.214 -3.637 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.664 -3.039 2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.064 -4.734 2.873 1.00 0.00 H new ATOM 0 HE ARG A 103 15.550 -3.876 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.242 -3.048 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.920 -2.513 4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.704 -3.189 0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.308 -2.593 2.386 1.00 0.00 H new ATOM 1648 N TYR A 104 8.265 -4.548 1.123 1.00 0.00 N ATOM 1649 CA TYR A 104 6.990 -4.675 1.819 1.00 0.00 C ATOM 1650 C TYR A 104 5.997 -5.487 0.993 1.00 0.00 C ATOM 1651 O TYR A 104 4.784 -5.368 1.166 1.00 0.00 O ATOM 1652 CB TYR A 104 6.410 -3.293 2.121 1.00 0.00 C ATOM 1653 CG TYR A 104 7.303 -2.438 2.991 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.257 -2.536 4.376 1.00 0.00 C ATOM 1655 CD2 TYR A 104 8.194 -1.532 2.428 1.00 0.00 C ATOM 1656 CE1 TYR A 104 8.071 -1.756 5.175 1.00 0.00 C ATOM 1657 CE2 TYR A 104 9.012 -0.749 3.218 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.947 -0.864 4.591 1.00 0.00 C ATOM 1659 OH TYR A 104 9.760 -0.087 5.383 1.00 0.00 O ATOM 0 H TYR A 104 8.248 -3.914 0.324 1.00 0.00 H new ATOM 0 HA TYR A 104 7.168 -5.199 2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.226 -2.772 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.445 -3.413 2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 104 6.573 -3.234 4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 104 8.247 -1.439 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 104 8.022 -1.844 6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.699 -0.050 2.763 1.00 0.00 H new ATOM 0 HH TYR A 104 10.473 0.303 4.836 1.00 0.00 H new ATOM 1669 N LEU A 105 6.522 -6.313 0.094 1.00 0.00 N ATOM 1670 CA LEU A 105 5.683 -7.147 -0.760 1.00 0.00 C ATOM 1671 C LEU A 105 5.290 -8.436 -0.046 1.00 0.00 C ATOM 1672 O LEU A 105 6.130 -9.106 0.555 1.00 0.00 O ATOM 1673 CB LEU A 105 6.415 -7.475 -2.063 1.00 0.00 C ATOM 1674 CG LEU A 105 6.513 -6.339 -3.081 1.00 0.00 C ATOM 1675 CD1 LEU A 105 7.424 -6.733 -4.234 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.131 -5.963 -3.596 1.00 0.00 C ATOM 0 H LEU A 105 7.524 -6.423 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 105 4.775 -6.590 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.425 -7.803 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.912 -8.318 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 105 6.943 -5.469 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.482 -5.912 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.421 -6.952 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.023 -7.617 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.220 -5.153 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.673 -6.829 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.508 -5.638 -2.763 1.00 0.00 H new ATOM 1688 N MET A 106 4.008 -8.779 -0.117 1.00 0.00 N ATOM 1689 CA MET A 106 3.505 -9.990 0.520 1.00 0.00 C ATOM 1690 C MET A 106 3.566 -11.175 -0.439 1.00 0.00 C ATOM 1691 O MET A 106 4.258 -12.159 -0.180 1.00 0.00 O ATOM 1692 CB MET A 106 2.066 -9.781 0.998 1.00 0.00 C ATOM 1693 CG MET A 106 1.970 -9.248 2.418 1.00 0.00 C ATOM 1694 SD MET A 106 0.471 -9.789 3.263 1.00 0.00 S ATOM 1695 CE MET A 106 -0.576 -8.352 3.047 1.00 0.00 C ATOM 0 H MET A 106 3.299 -8.235 -0.609 1.00 0.00 H new ATOM 0 HA MET A 106 4.139 -10.207 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.565 -9.087 0.323 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.530 -10.728 0.937 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.841 -9.577 2.985 1.00 0.00 H new ATOM 0 HG3 MET A 106 1.997 -8.159 2.396 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.333 -8.332 3.831 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.030 -7.448 3.105 1.00 0.00 H new ATOM 0 HE3 MET A 106 -1.063 -8.400 2.073 1.00 0.00 H new