USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 720 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 69 TYR OH : rot 180:sc= 0.0315 USER MOD Set 1.2: A 104 LYS NZ :NH3+ -119:sc= 0.0291 (180deg=-0.0551) USER MOD Set 2.1: A 66 ASN : amide:sc= -2.87! C(o=-8.7!,f=-12!) USER MOD Set 2.2: A 67 CYS SG : rot -43:sc= -1.58! USER MOD Set 2.3: A 70 CYS SG : rot -17:sc= -0.884! USER MOD Set 2.4: A 84 HIS : no HE2:sc= -2.86 K(o=-8.7,f=-6.3) USER MOD Set 2.5: A 101 CYS SG : rot 89:sc= -0.481 USER MOD Set 3.1: A 60 TYR OH : rot 110:sc= 0.44 USER MOD Set 3.2: A 65 LYS NZ :NH3+ 158:sc= 0.454 (180deg=-0.943!) USER MOD Set 4.1: A 64 SER OG : rot 46:sc= 0.375 USER MOD Set 4.2: A 78 ASN : amide:sc= -6.74! C(o=-6.4!,f=-10!) USER MOD Set 5.1: A 63 GLN : amide:sc= 0.565 X(o=1.6,f=1.8) USER MOD Set 5.2: A 98 TYR OH : rot -113:sc= 1.05 USER MOD Single : A 18 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.029) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= 1.18 (180deg=0.642) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl 144:sc= -1.93! (180deg=-2.98!) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.881) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0476) USER MOD Single : A 29 MET CE :methyl -132:sc= -0.238 (180deg=-1.72!) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.13) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0.746 K(o=0.75,f=-0.37) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0337 (180deg=-0.263) USER MOD Single : A 49 MET CE :methyl -105:sc= -0.223 (180deg=-2.64!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -62:sc= 0.773 USER MOD Single : A 55 ASN : amide:sc= -0.0591 X(o=-0.059,f=-0.023) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -39:sc= 0.262 USER MOD Single : A 71 SER OG : rot 128:sc= 0.0848 USER MOD Single : A 75 ASN : amide:sc= -2.55! K(o=-2.6!,f=-0.0069) USER MOD Single : A 76 CYS SG : rot -43:sc= 1.17 USER MOD Single : A 77 ASN : amide:sc= 0.0606 K(o=0.061,f=-5!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.29) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -18.709 4.599 5.720 1.00 0.00 N ATOM 226 CA ASP A 16 -19.531 5.131 4.642 1.00 0.00 C ATOM 227 C ASP A 16 -19.025 6.470 4.130 1.00 0.00 C ATOM 228 O ASP A 16 -19.570 7.014 3.169 1.00 0.00 O ATOM 229 CB ASP A 16 -20.994 5.244 5.067 1.00 0.00 C ATOM 230 CG ASP A 16 -21.752 3.954 4.828 1.00 0.00 C ATOM 231 OD1 ASP A 16 -22.073 3.657 3.656 1.00 0.00 O ATOM 232 OD2 ASP A 16 -22.026 3.229 5.806 1.00 0.00 O ATOM 0 HA ASP A 16 -19.458 4.420 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.046 5.505 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -21.471 6.053 4.515 1.00 0.00 H new ATOM 237 N PHE A 17 -17.981 6.992 4.756 1.00 0.00 N ATOM 238 CA PHE A 17 -17.330 8.192 4.255 1.00 0.00 C ATOM 239 C PHE A 17 -16.696 7.899 2.903 1.00 0.00 C ATOM 240 O PHE A 17 -16.982 8.572 1.913 1.00 0.00 O ATOM 241 CB PHE A 17 -16.270 8.690 5.238 1.00 0.00 C ATOM 242 CG PHE A 17 -15.470 9.853 4.722 1.00 0.00 C ATOM 243 CD1 PHE A 17 -15.992 11.135 4.748 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.196 9.663 4.206 1.00 0.00 C ATOM 245 CE1 PHE A 17 -15.261 12.204 4.270 1.00 0.00 C ATOM 246 CE2 PHE A 17 -13.460 10.728 3.727 1.00 0.00 C ATOM 247 CZ PHE A 17 -13.992 12.001 3.760 1.00 0.00 C ATOM 0 H PHE A 17 -17.569 6.607 5.606 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.080 8.975 4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -16.757 8.980 6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.592 7.870 5.475 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -16.982 11.301 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.775 8.669 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -15.680 13.199 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.470 10.565 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.418 12.837 3.388 1.00 0.00 H new ATOM 257 N GLN A 18 -15.846 6.873 2.860 1.00 0.00 N ATOM 258 CA GLN A 18 -15.207 6.470 1.616 1.00 0.00 C ATOM 259 C GLN A 18 -16.239 5.918 0.644 1.00 0.00 C ATOM 260 O GLN A 18 -16.080 6.027 -0.565 1.00 0.00 O ATOM 261 CB GLN A 18 -14.120 5.430 1.860 1.00 0.00 C ATOM 262 CG GLN A 18 -14.646 4.065 2.282 1.00 0.00 C ATOM 263 CD GLN A 18 -13.548 3.027 2.391 1.00 0.00 C ATOM 264 OE1 GLN A 18 -13.640 2.095 3.186 1.00 0.00 O ATOM 265 NE2 GLN A 18 -12.508 3.168 1.578 1.00 0.00 N ATOM 0 H GLN A 18 -15.587 6.311 3.671 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.741 7.355 1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.532 5.315 0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.444 5.801 2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.152 4.156 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.390 3.727 1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.469 3.956 0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.748 2.488 1.600 1.00 0.00 H new ATOM 274 N LYS A 19 -17.293 5.320 1.185 1.00 0.00 N ATOM 275 CA LYS A 19 -18.408 4.844 0.373 1.00 0.00 C ATOM 276 C LYS A 19 -18.999 6.000 -0.417 1.00 0.00 C ATOM 277 O LYS A 19 -19.198 5.905 -1.625 1.00 0.00 O ATOM 278 CB LYS A 19 -19.480 4.225 1.267 1.00 0.00 C ATOM 279 CG LYS A 19 -19.053 2.927 1.921 1.00 0.00 C ATOM 280 CD LYS A 19 -19.357 1.723 1.047 1.00 0.00 C ATOM 281 CE LYS A 19 -20.858 1.508 0.892 1.00 0.00 C ATOM 282 NZ LYS A 19 -21.537 1.352 2.210 1.00 0.00 N ATOM 0 H LYS A 19 -17.400 5.152 2.185 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.044 4.085 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.751 4.941 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.376 4.045 0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.984 2.962 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.563 2.818 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.905 1.862 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.904 0.832 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.292 2.353 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.037 0.621 0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.470 0.914 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.960 0.748 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.656 2.286 2.652 1.00 0.00 H new ATOM 296 N ARG A 20 -19.251 7.099 0.281 1.00 0.00 N ATOM 297 CA ARG A 20 -19.757 8.310 -0.341 1.00 0.00 C ATOM 298 C ARG A 20 -18.710 8.904 -1.276 1.00 0.00 C ATOM 299 O ARG A 20 -19.024 9.292 -2.399 1.00 0.00 O ATOM 300 CB ARG A 20 -20.146 9.320 0.741 1.00 0.00 C ATOM 301 CG ARG A 20 -20.394 10.724 0.219 1.00 0.00 C ATOM 302 CD ARG A 20 -21.493 10.757 -0.831 1.00 0.00 C ATOM 303 NE ARG A 20 -22.761 10.230 -0.329 1.00 0.00 N ATOM 304 CZ ARG A 20 -23.944 10.787 -0.571 1.00 0.00 C ATOM 305 NH1 ARG A 20 -24.019 11.941 -1.221 1.00 0.00 N ATOM 306 NH2 ARG A 20 -25.048 10.201 -0.133 1.00 0.00 N ATOM 0 H ARG A 20 -19.111 7.174 1.289 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.640 8.066 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.046 8.967 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.355 9.357 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.666 11.376 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.473 11.120 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.638 11.783 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.180 10.177 -1.699 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.737 9.384 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.167 12.404 -1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.928 12.365 -1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.989 9.326 0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.957 10.625 -0.316 1.00 0.00 H new ATOM 320 N LEU A 21 -17.472 8.964 -0.802 1.00 0.00 N ATOM 321 CA LEU A 21 -16.354 9.470 -1.592 1.00 0.00 C ATOM 322 C LEU A 21 -16.244 8.739 -2.933 1.00 0.00 C ATOM 323 O LEU A 21 -16.170 9.368 -3.982 1.00 0.00 O ATOM 324 CB LEU A 21 -15.056 9.313 -0.790 1.00 0.00 C ATOM 325 CG LEU A 21 -13.759 9.487 -1.584 1.00 0.00 C ATOM 326 CD1 LEU A 21 -13.651 10.897 -2.150 1.00 0.00 C ATOM 327 CD2 LEU A 21 -12.557 9.171 -0.707 1.00 0.00 C ATOM 0 H LEU A 21 -17.214 8.664 0.138 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.527 10.525 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.063 10.039 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.051 8.323 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.775 8.788 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.721 10.994 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.495 11.089 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.660 11.619 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.642 9.299 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.543 9.846 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.624 8.141 -0.356 1.00 0.00 H new ATOM 339 N GLU A 22 -16.271 7.416 -2.887 1.00 0.00 N ATOM 340 CA GLU A 22 -16.227 6.597 -4.094 1.00 0.00 C ATOM 341 C GLU A 22 -17.496 6.776 -4.920 1.00 0.00 C ATOM 342 O GLU A 22 -17.444 6.843 -6.148 1.00 0.00 O ATOM 343 CB GLU A 22 -16.060 5.125 -3.725 1.00 0.00 C ATOM 344 CG GLU A 22 -14.666 4.764 -3.244 1.00 0.00 C ATOM 345 CD GLU A 22 -13.635 4.862 -4.346 1.00 0.00 C ATOM 346 OE1 GLU A 22 -13.688 4.044 -5.289 1.00 0.00 O ATOM 347 OE2 GLU A 22 -12.770 5.756 -4.287 1.00 0.00 O ATOM 0 H GLU A 22 -16.324 6.881 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.374 6.920 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.779 4.872 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.303 4.513 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.384 5.426 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.673 3.750 -2.845 1.00 0.00 H new ATOM 354 N GLN A 23 -18.627 6.848 -4.234 1.00 0.00 N ATOM 355 CA GLN A 23 -19.930 6.994 -4.876 1.00 0.00 C ATOM 356 C GLN A 23 -19.982 8.266 -5.713 1.00 0.00 C ATOM 357 O GLN A 23 -20.341 8.238 -6.893 1.00 0.00 O ATOM 358 CB GLN A 23 -21.014 7.037 -3.800 1.00 0.00 C ATOM 359 CG GLN A 23 -22.416 6.740 -4.298 1.00 0.00 C ATOM 360 CD GLN A 23 -23.438 6.828 -3.182 1.00 0.00 C ATOM 361 OE1 GLN A 23 -24.049 7.874 -2.966 1.00 0.00 O ATOM 362 NE2 GLN A 23 -23.611 5.738 -2.448 1.00 0.00 N ATOM 0 H GLN A 23 -18.670 6.807 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.096 6.144 -5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -20.761 6.319 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.009 8.024 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -22.678 7.444 -5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.442 5.743 -4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.084 4.891 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.271 5.746 -1.670 1.00 0.00 H new ATOM 371 N MET A 24 -19.611 9.382 -5.099 1.00 0.00 N ATOM 372 CA MET A 24 -19.641 10.668 -5.776 1.00 0.00 C ATOM 373 C MET A 24 -18.507 10.781 -6.789 1.00 0.00 C ATOM 374 O MET A 24 -18.692 11.334 -7.868 1.00 0.00 O ATOM 375 CB MET A 24 -19.587 11.817 -4.761 1.00 0.00 C ATOM 376 CG MET A 24 -18.335 11.847 -3.896 1.00 0.00 C ATOM 377 SD MET A 24 -18.506 12.930 -2.462 1.00 0.00 S ATOM 378 CE MET A 24 -18.906 14.489 -3.248 1.00 0.00 C ATOM 0 H MET A 24 -19.286 9.421 -4.133 1.00 0.00 H new ATOM 0 HA MET A 24 -20.582 10.740 -6.321 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.662 12.762 -5.299 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.459 11.750 -4.111 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.108 10.836 -3.558 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.490 12.179 -4.499 1.00 0.00 H new ATOM 0 HE1 MET A 24 -19.619 15.036 -2.630 1.00 0.00 H new ATOM 0 HE2 MET A 24 -17.998 15.081 -3.365 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.345 14.300 -4.228 1.00 0.00 H new ATOM 388 N LYS A 25 -17.345 10.235 -6.445 1.00 0.00 N ATOM 389 CA LYS A 25 -16.196 10.231 -7.350 1.00 0.00 C ATOM 390 C LYS A 25 -16.545 9.493 -8.639 1.00 0.00 C ATOM 391 O LYS A 25 -16.174 9.919 -9.735 1.00 0.00 O ATOM 392 CB LYS A 25 -14.991 9.562 -6.678 1.00 0.00 C ATOM 393 CG LYS A 25 -13.676 9.758 -7.419 1.00 0.00 C ATOM 394 CD LYS A 25 -13.161 11.182 -7.275 1.00 0.00 C ATOM 395 CE LYS A 25 -12.638 11.458 -5.869 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.447 10.630 -5.533 1.00 0.00 N ATOM 0 H LYS A 25 -17.172 9.788 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.939 11.263 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.888 9.956 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.187 8.494 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.933 9.060 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.814 9.525 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.365 11.355 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.962 11.883 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.380 12.513 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.429 11.262 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.018 10.980 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.737 9.639 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.752 10.692 -6.305 1.00 0.00 H new ATOM 410 N GLU A 26 -17.270 8.387 -8.491 1.00 0.00 N ATOM 411 CA GLU A 26 -17.698 7.575 -9.622 1.00 0.00 C ATOM 412 C GLU A 26 -18.618 8.380 -10.534 1.00 0.00 C ATOM 413 O GLU A 26 -18.406 8.449 -11.742 1.00 0.00 O ATOM 414 CB GLU A 26 -18.426 6.320 -9.123 1.00 0.00 C ATOM 415 CG GLU A 26 -18.661 5.277 -10.201 1.00 0.00 C ATOM 416 CD GLU A 26 -17.369 4.675 -10.709 1.00 0.00 C ATOM 417 OE1 GLU A 26 -16.722 5.288 -11.579 1.00 0.00 O ATOM 418 OE2 GLU A 26 -16.991 3.584 -10.236 1.00 0.00 O ATOM 0 H GLU A 26 -17.576 8.031 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.817 7.274 -10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.845 5.871 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.386 6.613 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.297 4.485 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.199 5.732 -11.033 1.00 0.00 H new ATOM 425 N LYS A 27 -19.631 8.998 -9.934 1.00 0.00 N ATOM 426 CA LYS A 27 -20.598 9.807 -10.673 1.00 0.00 C ATOM 427 C LYS A 27 -19.916 10.940 -11.431 1.00 0.00 C ATOM 428 O LYS A 27 -20.185 11.160 -12.611 1.00 0.00 O ATOM 429 CB LYS A 27 -21.647 10.386 -9.720 1.00 0.00 C ATOM 430 CG LYS A 27 -22.635 9.354 -9.193 1.00 0.00 C ATOM 431 CD LYS A 27 -23.607 9.968 -8.197 1.00 0.00 C ATOM 432 CE LYS A 27 -24.568 10.945 -8.862 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.562 10.255 -9.727 1.00 0.00 N ATOM 0 H LYS A 27 -19.805 8.954 -8.930 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.085 9.155 -11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.139 10.853 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -22.198 11.173 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -23.190 8.923 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.091 8.539 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.176 9.176 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.048 10.484 -7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.091 11.516 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.002 11.659 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.276 10.939 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.079 9.844 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.028 9.499 -9.186 1.00 0.00 H new ATOM 447 N VAL A 28 -19.029 11.648 -10.748 1.00 0.00 N ATOM 448 CA VAL A 28 -18.337 12.787 -11.338 1.00 0.00 C ATOM 449 C VAL A 28 -17.477 12.353 -12.523 1.00 0.00 C ATOM 450 O VAL A 28 -17.483 12.993 -13.572 1.00 0.00 O ATOM 451 CB VAL A 28 -17.471 13.517 -10.287 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.633 14.616 -10.922 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.356 14.099 -9.193 1.00 0.00 C ATOM 0 H VAL A 28 -18.770 11.454 -9.781 1.00 0.00 H new ATOM 0 HA VAL A 28 -19.096 13.481 -11.699 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.790 12.787 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.036 15.108 -10.154 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.972 14.182 -11.672 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.289 15.346 -11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.736 14.611 -8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -19.059 14.807 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.908 13.295 -8.706 1.00 0.00 H new ATOM 463 N MET A 29 -16.783 11.233 -12.374 1.00 0.00 N ATOM 464 CA MET A 29 -15.897 10.741 -13.427 1.00 0.00 C ATOM 465 C MET A 29 -16.671 9.956 -14.479 1.00 0.00 C ATOM 466 O MET A 29 -16.083 9.239 -15.288 1.00 0.00 O ATOM 467 CB MET A 29 -14.786 9.873 -12.834 1.00 0.00 C ATOM 468 CG MET A 29 -13.775 10.654 -12.006 1.00 0.00 C ATOM 469 SD MET A 29 -12.868 11.870 -12.983 1.00 0.00 S ATOM 470 CE MET A 29 -11.743 12.529 -11.749 1.00 0.00 C ATOM 0 H MET A 29 -16.814 10.648 -11.539 1.00 0.00 H new ATOM 0 HA MET A 29 -15.447 11.607 -13.912 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.235 9.101 -12.209 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.263 9.364 -13.644 1.00 0.00 H new ATOM 0 HG2 MET A 29 -14.292 11.161 -11.191 1.00 0.00 H new ATOM 0 HG3 MET A 29 -13.069 9.959 -11.552 1.00 0.00 H new ATOM 0 HE1 MET A 29 -11.761 13.618 -11.785 1.00 0.00 H new ATOM 0 HE2 MET A 29 -12.052 12.193 -10.759 1.00 0.00 H new ATOM 0 HE3 MET A 29 -10.732 12.176 -11.953 1.00 0.00 H new ATOM 480 N LYS A 30 -17.984 10.103 -14.474 1.00 0.00 N ATOM 481 CA LYS A 30 -18.824 9.454 -15.467 1.00 0.00 C ATOM 482 C LYS A 30 -19.365 10.464 -16.472 1.00 0.00 C ATOM 483 O LYS A 30 -19.756 10.099 -17.584 1.00 0.00 O ATOM 484 CB LYS A 30 -19.983 8.725 -14.787 1.00 0.00 C ATOM 485 CG LYS A 30 -19.905 7.211 -14.903 1.00 0.00 C ATOM 486 CD LYS A 30 -18.576 6.676 -14.397 1.00 0.00 C ATOM 487 CE LYS A 30 -18.535 5.160 -14.441 1.00 0.00 C ATOM 488 NZ LYS A 30 -17.195 4.629 -14.082 1.00 0.00 N ATOM 0 H LYS A 30 -18.493 10.667 -13.793 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.211 8.730 -16.004 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.004 8.999 -13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.922 9.066 -15.224 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.719 6.760 -14.335 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.043 6.918 -15.944 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.765 7.081 -15.003 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.411 7.016 -13.375 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.280 4.757 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.804 4.819 -15.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.265 3.609 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.535 4.790 -14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.845 5.116 -13.232 1.00 0.00 H new ATOM 502 N ASP A 31 -19.369 11.734 -16.090 1.00 0.00 N ATOM 503 CA ASP A 31 -19.943 12.779 -16.930 1.00 0.00 C ATOM 504 C ASP A 31 -19.005 13.148 -18.068 1.00 0.00 C ATOM 505 O ASP A 31 -17.824 13.406 -17.854 1.00 0.00 O ATOM 506 CB ASP A 31 -20.262 14.026 -16.112 1.00 0.00 C ATOM 507 CG ASP A 31 -20.927 15.099 -16.951 1.00 0.00 C ATOM 508 OD1 ASP A 31 -22.103 14.921 -17.327 1.00 0.00 O ATOM 509 OD2 ASP A 31 -20.276 16.117 -17.257 1.00 0.00 O ATOM 0 H ASP A 31 -18.983 12.066 -15.206 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.867 12.382 -17.350 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.915 13.758 -15.282 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.343 14.421 -15.680 1.00 0.00 H new ATOM 514 N GLN A 32 -19.557 13.194 -19.273 1.00 0.00 N ATOM 515 CA GLN A 32 -18.787 13.473 -20.481 1.00 0.00 C ATOM 516 C GLN A 32 -18.098 14.835 -20.413 1.00 0.00 C ATOM 517 O GLN A 32 -16.918 14.958 -20.751 1.00 0.00 O ATOM 518 CB GLN A 32 -19.705 13.431 -21.704 1.00 0.00 C ATOM 519 CG GLN A 32 -20.380 12.088 -21.922 1.00 0.00 C ATOM 520 CD GLN A 32 -21.447 12.149 -22.996 1.00 0.00 C ATOM 521 OE1 GLN A 32 -21.167 11.954 -24.178 1.00 0.00 O ATOM 522 NE2 GLN A 32 -22.677 12.432 -22.596 1.00 0.00 N ATOM 0 H GLN A 32 -20.551 13.039 -19.442 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.016 12.707 -20.564 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.472 14.199 -21.597 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.124 13.682 -22.591 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.630 11.348 -22.200 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.828 11.753 -20.987 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.868 12.587 -21.606 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.433 12.495 -23.278 1.00 0.00 H new ATOM 531 N ASP A 33 -18.840 15.850 -19.981 1.00 0.00 N ATOM 532 CA ASP A 33 -18.316 17.213 -19.925 1.00 0.00 C ATOM 533 C ASP A 33 -17.229 17.319 -18.874 1.00 0.00 C ATOM 534 O ASP A 33 -16.226 18.002 -19.077 1.00 0.00 O ATOM 535 CB ASP A 33 -19.424 18.222 -19.623 1.00 0.00 C ATOM 536 CG ASP A 33 -20.501 18.255 -20.686 1.00 0.00 C ATOM 537 OD1 ASP A 33 -21.396 17.382 -20.656 1.00 0.00 O ATOM 538 OD2 ASP A 33 -20.478 19.162 -21.543 1.00 0.00 O ATOM 0 H ASP A 33 -19.805 15.756 -19.665 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.896 17.446 -20.903 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.877 17.978 -18.662 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.986 19.216 -19.526 1.00 0.00 H new ATOM 543 N VAL A 34 -17.434 16.647 -17.747 1.00 0.00 N ATOM 544 CA VAL A 34 -16.420 16.571 -16.708 1.00 0.00 C ATOM 545 C VAL A 34 -15.103 16.041 -17.277 1.00 0.00 C ATOM 546 O VAL A 34 -14.051 16.645 -17.087 1.00 0.00 O ATOM 547 CB VAL A 34 -16.881 15.685 -15.530 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.722 15.349 -14.606 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.988 16.381 -14.753 1.00 0.00 C ATOM 0 H VAL A 34 -18.296 16.147 -17.531 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.263 17.582 -16.331 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.265 14.751 -15.940 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.079 14.724 -13.787 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.955 14.812 -15.164 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.299 16.269 -14.203 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.305 15.747 -13.925 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.618 17.329 -14.363 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.835 16.566 -15.413 1.00 0.00 H new ATOM 559 N GLN A 35 -15.172 14.930 -18.005 1.00 0.00 N ATOM 560 CA GLN A 35 -13.976 14.315 -18.579 1.00 0.00 C ATOM 561 C GLN A 35 -13.338 15.240 -19.605 1.00 0.00 C ATOM 562 O GLN A 35 -12.114 15.372 -19.673 1.00 0.00 O ATOM 563 CB GLN A 35 -14.324 12.982 -19.233 1.00 0.00 C ATOM 564 CG GLN A 35 -15.228 12.131 -18.374 1.00 0.00 C ATOM 565 CD GLN A 35 -15.319 10.696 -18.841 1.00 0.00 C ATOM 566 OE1 GLN A 35 -15.178 10.401 -20.029 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.564 9.796 -17.908 1.00 0.00 N ATOM 0 H GLN A 35 -16.041 14.437 -18.212 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.264 14.140 -17.772 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.809 13.168 -20.191 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.406 12.433 -19.442 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.864 12.149 -17.347 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.227 12.567 -18.366 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.674 10.086 -16.936 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.644 8.810 -18.158 1.00 0.00 H new ATOM 576 N ALA A 36 -14.188 15.883 -20.396 1.00 0.00 N ATOM 577 CA ALA A 36 -13.738 16.854 -21.386 1.00 0.00 C ATOM 578 C ALA A 36 -12.992 17.995 -20.707 1.00 0.00 C ATOM 579 O ALA A 36 -11.990 18.490 -21.218 1.00 0.00 O ATOM 580 CB ALA A 36 -14.919 17.393 -22.180 1.00 0.00 C ATOM 0 H ALA A 36 -15.199 15.748 -20.371 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.058 16.354 -22.076 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.564 18.116 -22.914 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.418 16.571 -22.693 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.622 17.878 -21.503 1.00 0.00 H new ATOM 586 N PHE A 37 -13.491 18.397 -19.551 1.00 0.00 N ATOM 587 CA PHE A 37 -12.864 19.435 -18.752 1.00 0.00 C ATOM 588 C PHE A 37 -11.551 18.939 -18.157 1.00 0.00 C ATOM 589 O PHE A 37 -10.543 19.652 -18.174 1.00 0.00 O ATOM 590 CB PHE A 37 -13.814 19.871 -17.641 1.00 0.00 C ATOM 591 CG PHE A 37 -13.214 20.841 -16.671 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.859 22.112 -17.079 1.00 0.00 C ATOM 593 CD2 PHE A 37 -13.025 20.484 -15.348 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.329 23.014 -16.184 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.491 21.381 -14.447 1.00 0.00 C ATOM 596 CZ PHE A 37 -12.145 22.649 -14.865 1.00 0.00 C ATOM 0 H PHE A 37 -14.342 18.013 -19.140 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.646 20.288 -19.395 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.699 20.323 -18.090 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.149 18.988 -17.096 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.999 22.401 -18.110 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.298 19.493 -15.017 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.057 24.006 -16.513 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.344 21.091 -13.417 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.731 23.356 -14.161 1.00 0.00 H new ATOM 606 N LEU A 38 -11.580 17.717 -17.634 1.00 0.00 N ATOM 607 CA LEU A 38 -10.406 17.105 -17.025 1.00 0.00 C ATOM 608 C LEU A 38 -9.224 17.106 -17.979 1.00 0.00 C ATOM 609 O LEU A 38 -8.130 17.506 -17.606 1.00 0.00 O ATOM 610 CB LEU A 38 -10.705 15.672 -16.577 1.00 0.00 C ATOM 611 CG LEU A 38 -10.908 15.485 -15.071 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.729 16.060 -14.306 1.00 0.00 C ATOM 613 CD2 LEU A 38 -12.208 16.125 -14.612 1.00 0.00 C ATOM 0 H LEU A 38 -12.412 17.127 -17.621 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.148 17.703 -16.151 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.601 15.327 -17.093 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.885 15.030 -16.899 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.970 14.416 -14.865 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.886 15.920 -13.236 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.815 15.549 -14.608 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.638 17.124 -14.523 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.327 15.977 -13.539 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.185 17.193 -14.831 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.045 15.665 -15.137 1.00 0.00 H new ATOM 625 N LYS A 39 -9.454 16.680 -19.214 1.00 0.00 N ATOM 626 CA LYS A 39 -8.377 16.606 -20.197 1.00 0.00 C ATOM 627 C LYS A 39 -8.023 17.993 -20.731 1.00 0.00 C ATOM 628 O LYS A 39 -6.895 18.241 -21.152 1.00 0.00 O ATOM 629 CB LYS A 39 -8.763 15.690 -21.363 1.00 0.00 C ATOM 630 CG LYS A 39 -9.962 16.183 -22.152 1.00 0.00 C ATOM 631 CD LYS A 39 -9.958 15.637 -23.565 1.00 0.00 C ATOM 632 CE LYS A 39 -11.060 16.265 -24.400 1.00 0.00 C ATOM 633 NZ LYS A 39 -10.880 15.989 -25.845 1.00 0.00 N ATOM 0 H LYS A 39 -10.367 16.383 -19.558 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.504 16.191 -19.693 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.911 15.593 -22.036 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.978 14.694 -20.976 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.880 15.882 -21.647 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.957 17.273 -22.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.991 15.830 -24.030 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.089 14.555 -23.540 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.027 15.881 -24.074 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.073 17.342 -24.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.651 16.434 -26.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.969 16.377 -26.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.893 14.962 -26.007 1.00 0.00 H new ATOM 647 N GLU A 40 -8.992 18.897 -20.711 1.00 0.00 N ATOM 648 CA GLU A 40 -8.782 20.248 -21.202 1.00 0.00 C ATOM 649 C GLU A 40 -7.774 20.973 -20.324 1.00 0.00 C ATOM 650 O GLU A 40 -6.882 21.663 -20.816 1.00 0.00 O ATOM 651 CB GLU A 40 -10.101 21.014 -21.210 1.00 0.00 C ATOM 652 CG GLU A 40 -10.153 22.136 -22.231 1.00 0.00 C ATOM 653 CD GLU A 40 -10.019 21.639 -23.657 1.00 0.00 C ATOM 654 OE1 GLU A 40 -11.016 21.139 -24.213 1.00 0.00 O ATOM 655 OE2 GLU A 40 -8.920 21.758 -24.231 1.00 0.00 O ATOM 0 H GLU A 40 -9.932 18.717 -20.359 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.395 20.193 -22.219 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.914 20.316 -21.409 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.274 21.430 -20.218 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.095 22.674 -22.125 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.354 22.848 -22.023 1.00 0.00 H new ATOM 662 N ASN A 41 -7.917 20.790 -19.022 1.00 0.00 N ATOM 663 CA ASN A 41 -7.075 21.471 -18.052 1.00 0.00 C ATOM 664 C ASN A 41 -6.227 20.477 -17.265 1.00 0.00 C ATOM 665 O ASN A 41 -5.821 20.759 -16.140 1.00 0.00 O ATOM 666 CB ASN A 41 -7.941 22.289 -17.088 1.00 0.00 C ATOM 667 CG ASN A 41 -8.547 23.512 -17.740 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.943 24.582 -17.758 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.752 23.368 -18.271 1.00 0.00 N ATOM 0 H ASN A 41 -8.614 20.170 -18.610 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.406 22.138 -18.596 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.739 21.657 -16.698 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.335 22.599 -16.236 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.212 24.163 -18.716 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.220 22.462 -18.235 1.00 0.00 H new ATOM 676 N GLU A 42 -5.919 19.332 -17.876 1.00 0.00 N ATOM 677 CA GLU A 42 -5.200 18.257 -17.179 1.00 0.00 C ATOM 678 C GLU A 42 -3.771 18.664 -16.835 1.00 0.00 C ATOM 679 O GLU A 42 -3.116 18.036 -16.001 1.00 0.00 O ATOM 680 CB GLU A 42 -5.181 16.973 -18.016 1.00 0.00 C ATOM 681 CG GLU A 42 -4.441 17.098 -19.338 1.00 0.00 C ATOM 682 CD GLU A 42 -4.385 15.786 -20.090 1.00 0.00 C ATOM 683 OE1 GLU A 42 -3.457 14.990 -19.840 1.00 0.00 O ATOM 684 OE2 GLU A 42 -5.265 15.540 -20.937 1.00 0.00 O ATOM 0 H GLU A 42 -6.153 19.123 -18.846 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.738 18.069 -16.250 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.721 16.178 -17.429 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.208 16.668 -18.216 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.932 17.849 -19.957 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.427 17.452 -19.152 1.00 0.00 H new ATOM 691 N GLU A 43 -3.301 19.721 -17.475 1.00 0.00 N ATOM 692 CA GLU A 43 -1.961 20.229 -17.242 1.00 0.00 C ATOM 693 C GLU A 43 -1.921 21.027 -15.941 1.00 0.00 C ATOM 694 O GLU A 43 -0.860 21.239 -15.355 1.00 0.00 O ATOM 695 CB GLU A 43 -1.541 21.102 -18.427 1.00 0.00 C ATOM 696 CG GLU A 43 -0.125 21.639 -18.342 1.00 0.00 C ATOM 697 CD GLU A 43 0.207 22.569 -19.489 1.00 0.00 C ATOM 698 OE1 GLU A 43 -0.268 23.722 -19.481 1.00 0.00 O ATOM 699 OE2 GLU A 43 0.942 22.152 -20.409 1.00 0.00 O ATOM 0 H GLU A 43 -3.834 20.248 -18.167 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.264 19.396 -17.150 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.641 20.521 -19.344 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.231 21.942 -18.505 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.004 22.169 -17.398 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.578 20.806 -18.338 1.00 0.00 H new ATOM 706 N VAL A 44 -3.089 21.458 -15.485 1.00 0.00 N ATOM 707 CA VAL A 44 -3.183 22.288 -14.292 1.00 0.00 C ATOM 708 C VAL A 44 -3.896 21.545 -13.163 1.00 0.00 C ATOM 709 O VAL A 44 -3.498 21.623 -11.996 1.00 0.00 O ATOM 710 CB VAL A 44 -3.936 23.602 -14.591 1.00 0.00 C ATOM 711 CG1 VAL A 44 -3.929 24.516 -13.376 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.330 24.308 -15.794 1.00 0.00 C ATOM 0 H VAL A 44 -3.985 21.246 -15.924 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.166 22.522 -13.979 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.971 23.353 -14.825 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.465 25.436 -13.610 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.417 24.014 -12.540 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.900 24.754 -13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.876 25.232 -15.987 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.285 24.540 -15.591 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.395 23.659 -16.667 1.00 0.00 H new ATOM 722 N ILE A 45 -4.949 20.822 -13.521 1.00 0.00 N ATOM 723 CA ILE A 45 -5.774 20.121 -12.547 1.00 0.00 C ATOM 724 C ILE A 45 -5.050 18.913 -11.969 1.00 0.00 C ATOM 725 O ILE A 45 -4.328 18.208 -12.671 1.00 0.00 O ATOM 726 CB ILE A 45 -7.111 19.668 -13.174 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.827 20.877 -13.751 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.993 18.970 -12.142 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.127 20.557 -14.447 1.00 0.00 C ATOM 0 H ILE A 45 -5.253 20.706 -14.488 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.979 20.824 -11.740 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.903 18.952 -13.969 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.024 21.586 -12.947 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.163 21.374 -14.458 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.927 18.662 -12.611 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.475 18.093 -11.754 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.207 19.656 -11.323 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.571 21.476 -14.829 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.938 19.874 -15.275 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.812 20.089 -13.740 1.00 0.00 H new ATOM 741 N ASP A 46 -5.252 18.692 -10.685 1.00 0.00 N ATOM 742 CA ASP A 46 -4.664 17.559 -9.989 1.00 0.00 C ATOM 743 C ASP A 46 -5.778 16.641 -9.516 1.00 0.00 C ATOM 744 O ASP A 46 -6.941 17.046 -9.469 1.00 0.00 O ATOM 745 CB ASP A 46 -3.861 18.036 -8.773 1.00 0.00 C ATOM 746 CG ASP A 46 -2.891 16.998 -8.243 1.00 0.00 C ATOM 747 OD1 ASP A 46 -3.336 16.042 -7.576 1.00 0.00 O ATOM 748 OD2 ASP A 46 -1.673 17.156 -8.468 1.00 0.00 O ATOM 0 H ASP A 46 -5.828 19.291 -10.093 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.996 17.031 -10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.307 18.935 -9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.552 18.315 -7.978 1.00 0.00 H new ATOM 753 N GLN A 47 -5.424 15.422 -9.158 1.00 0.00 N ATOM 754 CA GLN A 47 -6.361 14.496 -8.543 1.00 0.00 C ATOM 755 C GLN A 47 -6.886 15.094 -7.245 1.00 0.00 C ATOM 756 O GLN A 47 -8.074 15.002 -6.932 1.00 0.00 O ATOM 757 CB GLN A 47 -5.667 13.168 -8.258 1.00 0.00 C ATOM 758 CG GLN A 47 -5.109 12.492 -9.500 1.00 0.00 C ATOM 759 CD GLN A 47 -4.433 11.170 -9.189 1.00 0.00 C ATOM 760 OE1 GLN A 47 -3.910 10.966 -8.092 1.00 0.00 O ATOM 761 NE2 GLN A 47 -4.420 10.270 -10.159 1.00 0.00 N ATOM 0 H GLN A 47 -4.485 15.045 -9.283 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.194 14.320 -9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.855 13.337 -7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.375 12.494 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.917 12.324 -10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.393 13.158 -9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.865 10.478 -11.053 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.965 9.369 -10.012 1.00 0.00 H new ATOM 770 N LYS A 48 -5.984 15.732 -6.508 1.00 0.00 N ATOM 771 CA LYS A 48 -6.336 16.408 -5.268 1.00 0.00 C ATOM 772 C LYS A 48 -7.274 17.577 -5.541 1.00 0.00 C ATOM 773 O LYS A 48 -8.199 17.835 -4.776 1.00 0.00 O ATOM 774 CB LYS A 48 -5.080 16.912 -4.569 1.00 0.00 C ATOM 775 CG LYS A 48 -4.197 15.803 -4.023 1.00 0.00 C ATOM 776 CD LYS A 48 -4.920 14.974 -2.972 1.00 0.00 C ATOM 777 CE LYS A 48 -4.012 13.902 -2.386 1.00 0.00 C ATOM 778 NZ LYS A 48 -2.832 14.489 -1.695 1.00 0.00 N ATOM 0 H LYS A 48 -4.996 15.794 -6.752 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.845 15.693 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.501 17.513 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.370 17.570 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.878 15.156 -4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.296 16.236 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.277 15.626 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.798 14.505 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.578 13.292 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.673 13.239 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.372 13.760 -1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.158 14.845 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.141 15.273 -1.085 1.00 0.00 H new ATOM 792 N MET A 49 -7.023 18.274 -6.643 1.00 0.00 N ATOM 793 CA MET A 49 -7.855 19.388 -7.068 1.00 0.00 C ATOM 794 C MET A 49 -9.296 18.925 -7.276 1.00 0.00 C ATOM 795 O MET A 49 -10.245 19.608 -6.885 1.00 0.00 O ATOM 796 CB MET A 49 -7.305 19.973 -8.369 1.00 0.00 C ATOM 797 CG MET A 49 -8.092 21.158 -8.876 1.00 0.00 C ATOM 798 SD MET A 49 -7.716 22.678 -7.991 1.00 0.00 S ATOM 799 CE MET A 49 -5.996 22.914 -8.430 1.00 0.00 C ATOM 0 H MET A 49 -6.238 18.081 -7.265 1.00 0.00 H new ATOM 0 HA MET A 49 -7.843 20.154 -6.293 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.269 20.274 -8.213 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.299 19.196 -9.134 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.883 21.300 -9.936 1.00 0.00 H new ATOM 0 HG3 MET A 49 -9.157 20.945 -8.787 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.365 22.654 -7.580 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.746 22.275 -9.277 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.829 23.957 -8.701 1.00 0.00 H new ATOM 809 N ILE A 50 -9.442 17.750 -7.884 1.00 0.00 N ATOM 810 CA ILE A 50 -10.749 17.153 -8.125 1.00 0.00 C ATOM 811 C ILE A 50 -11.468 16.874 -6.812 1.00 0.00 C ATOM 812 O ILE A 50 -12.645 17.186 -6.664 1.00 0.00 O ATOM 813 CB ILE A 50 -10.623 15.839 -8.929 1.00 0.00 C ATOM 814 CG1 ILE A 50 -10.031 16.122 -10.311 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.977 15.152 -9.057 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.878 17.054 -11.155 1.00 0.00 C ATOM 0 H ILE A 50 -8.660 17.189 -8.221 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.330 17.868 -8.707 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.953 15.168 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.039 16.556 -10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.904 15.179 -10.843 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.865 14.229 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.363 14.921 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.673 15.814 -9.572 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.397 17.209 -12.121 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.863 16.613 -11.307 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.984 18.011 -10.645 1.00 0.00 H new ATOM 828 N GLU A 51 -10.748 16.295 -5.861 1.00 0.00 N ATOM 829 CA GLU A 51 -11.324 15.952 -4.568 1.00 0.00 C ATOM 830 C GLU A 51 -11.619 17.204 -3.748 1.00 0.00 C ATOM 831 O GLU A 51 -12.595 17.248 -2.997 1.00 0.00 O ATOM 832 CB GLU A 51 -10.395 15.011 -3.800 1.00 0.00 C ATOM 833 CG GLU A 51 -10.023 13.768 -4.591 1.00 0.00 C ATOM 834 CD GLU A 51 -9.349 12.712 -3.747 1.00 0.00 C ATOM 835 OE1 GLU A 51 -8.241 12.969 -3.234 1.00 0.00 O ATOM 836 OE2 GLU A 51 -9.926 11.613 -3.607 1.00 0.00 O ATOM 0 H GLU A 51 -9.762 16.053 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.269 15.438 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.486 15.548 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.878 14.712 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.923 13.347 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.360 14.049 -5.409 1.00 0.00 H new ATOM 843 N LYS A 52 -10.779 18.218 -3.906 1.00 0.00 N ATOM 844 CA LYS A 52 -10.975 19.493 -3.237 1.00 0.00 C ATOM 845 C LYS A 52 -12.260 20.151 -3.728 1.00 0.00 C ATOM 846 O LYS A 52 -13.036 20.696 -2.943 1.00 0.00 O ATOM 847 CB LYS A 52 -9.778 20.414 -3.503 1.00 0.00 C ATOM 848 CG LYS A 52 -9.829 21.728 -2.742 1.00 0.00 C ATOM 849 CD LYS A 52 -9.767 21.501 -1.242 1.00 0.00 C ATOM 850 CE LYS A 52 -9.758 22.813 -0.476 1.00 0.00 C ATOM 851 NZ LYS A 52 -9.608 22.590 0.983 1.00 0.00 N ATOM 0 H LYS A 52 -9.949 18.179 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.057 19.319 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.861 19.887 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.726 20.626 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.997 22.362 -3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.746 22.261 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.622 20.902 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.871 20.930 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.942 23.440 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.684 23.355 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.606 23.506 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.401 22.013 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.712 22.095 1.168 1.00 0.00 H new ATOM 865 N SER A 53 -12.490 20.071 -5.030 1.00 0.00 N ATOM 866 CA SER A 53 -13.645 20.702 -5.643 1.00 0.00 C ATOM 867 C SER A 53 -14.686 19.662 -6.054 1.00 0.00 C ATOM 868 O SER A 53 -15.474 19.890 -6.972 1.00 0.00 O ATOM 869 CB SER A 53 -13.199 21.514 -6.858 1.00 0.00 C ATOM 870 OG SER A 53 -12.156 22.410 -6.508 1.00 0.00 O ATOM 0 H SER A 53 -11.887 19.572 -5.684 1.00 0.00 H new ATOM 0 HA SER A 53 -14.107 21.366 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.858 20.842 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.045 22.072 -7.259 1.00 0.00 H new ATOM 0 HG SER A 53 -12.483 23.048 -5.839 1.00 0.00 H new ATOM 876 N LEU A 54 -14.699 18.532 -5.346 1.00 0.00 N ATOM 877 CA LEU A 54 -15.634 17.447 -5.631 1.00 0.00 C ATOM 878 C LEU A 54 -17.063 17.969 -5.600 1.00 0.00 C ATOM 879 O LEU A 54 -17.858 17.697 -6.495 1.00 0.00 O ATOM 880 CB LEU A 54 -15.489 16.336 -4.585 1.00 0.00 C ATOM 881 CG LEU A 54 -15.595 14.893 -5.109 1.00 0.00 C ATOM 882 CD1 LEU A 54 -16.733 14.733 -6.100 1.00 0.00 C ATOM 883 CD2 LEU A 54 -14.290 14.454 -5.744 1.00 0.00 C ATOM 0 H LEU A 54 -14.068 18.345 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.409 17.049 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.523 16.452 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.254 16.481 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 54 -15.806 14.256 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -16.772 13.700 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -17.675 14.990 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.570 15.394 -6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.388 13.431 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.051 15.114 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.491 14.501 -5.004 1.00 0.00 H new ATOM 895 N ASN A 55 -17.365 18.743 -4.566 1.00 0.00 N ATOM 896 CA ASN A 55 -18.713 19.262 -4.351 1.00 0.00 C ATOM 897 C ASN A 55 -19.125 20.195 -5.480 1.00 0.00 C ATOM 898 O ASN A 55 -20.305 20.301 -5.804 1.00 0.00 O ATOM 899 CB ASN A 55 -18.807 19.997 -3.010 1.00 0.00 C ATOM 900 CG ASN A 55 -18.327 19.160 -1.844 1.00 0.00 C ATOM 901 OD1 ASN A 55 -19.066 18.337 -1.300 1.00 0.00 O ATOM 902 ND2 ASN A 55 -17.093 19.396 -1.428 1.00 0.00 N ATOM 0 H ASN A 55 -16.690 19.028 -3.857 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.394 18.411 -4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -18.217 20.912 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.841 20.294 -2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.719 18.887 -0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.516 20.086 -1.909 1.00 0.00 H new ATOM 909 N LYS A 56 -18.146 20.865 -6.081 1.00 0.00 N ATOM 910 CA LYS A 56 -18.402 21.744 -7.215 1.00 0.00 C ATOM 911 C LYS A 56 -18.825 20.925 -8.427 1.00 0.00 C ATOM 912 O LYS A 56 -19.881 21.156 -9.012 1.00 0.00 O ATOM 913 CB LYS A 56 -17.148 22.552 -7.561 1.00 0.00 C ATOM 914 CG LYS A 56 -16.726 23.555 -6.501 1.00 0.00 C ATOM 915 CD LYS A 56 -17.633 24.774 -6.483 1.00 0.00 C ATOM 916 CE LYS A 56 -16.964 25.934 -5.765 1.00 0.00 C ATOM 917 NZ LYS A 56 -17.778 27.178 -5.810 1.00 0.00 N ATOM 0 H LYS A 56 -17.167 20.815 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.204 22.430 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.324 21.861 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.322 23.084 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.741 23.077 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.699 23.869 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.878 25.065 -7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.572 24.527 -5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.784 25.659 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.991 26.124 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.278 27.938 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.929 27.459 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.697 27.008 -5.355 1.00 0.00 H new ATOM 931 N LEU A 57 -18.002 19.949 -8.777 1.00 0.00 N ATOM 932 CA LEU A 57 -18.261 19.102 -9.933 1.00 0.00 C ATOM 933 C LEU A 57 -19.512 18.260 -9.715 1.00 0.00 C ATOM 934 O LEU A 57 -20.292 18.036 -10.642 1.00 0.00 O ATOM 935 CB LEU A 57 -17.051 18.207 -10.221 1.00 0.00 C ATOM 936 CG LEU A 57 -15.929 18.861 -11.037 1.00 0.00 C ATOM 937 CD1 LEU A 57 -15.301 20.023 -10.286 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.870 17.835 -11.402 1.00 0.00 C ATOM 0 H LEU A 57 -17.144 19.722 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.430 19.743 -10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.637 17.868 -9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.395 17.320 -10.753 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.371 19.254 -11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.510 20.463 -10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.061 20.776 -10.079 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.881 19.664 -9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.082 18.316 -11.981 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.445 17.411 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.322 17.040 -11.995 1.00 0.00 H new ATOM 950 N TYR A 58 -19.710 17.815 -8.482 1.00 0.00 N ATOM 951 CA TYR A 58 -20.892 17.046 -8.124 1.00 0.00 C ATOM 952 C TYR A 58 -22.138 17.919 -8.251 1.00 0.00 C ATOM 953 O TYR A 58 -23.166 17.484 -8.767 1.00 0.00 O ATOM 954 CB TYR A 58 -20.756 16.507 -6.698 1.00 0.00 C ATOM 955 CG TYR A 58 -21.672 15.348 -6.389 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.504 14.130 -7.030 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.688 15.462 -5.451 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.321 13.058 -6.748 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.515 14.392 -5.163 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.328 13.191 -5.816 1.00 0.00 C ATOM 961 OH TYR A 58 -24.145 12.120 -5.531 1.00 0.00 O ATOM 0 H TYR A 58 -19.063 17.975 -7.710 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.988 16.200 -8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.724 16.195 -6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.959 17.315 -5.995 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.719 14.020 -7.763 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.835 16.401 -4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.173 12.116 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.303 14.496 -4.431 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.802 12.381 -4.852 1.00 0.00 H new ATOM 971 N GLU A 59 -22.027 19.161 -7.794 1.00 0.00 N ATOM 972 CA GLU A 59 -23.100 20.136 -7.941 1.00 0.00 C ATOM 973 C GLU A 59 -23.434 20.310 -9.416 1.00 0.00 C ATOM 974 O GLU A 59 -24.596 20.248 -9.812 1.00 0.00 O ATOM 975 CB GLU A 59 -22.676 21.481 -7.348 1.00 0.00 C ATOM 976 CG GLU A 59 -23.782 22.522 -7.311 1.00 0.00 C ATOM 977 CD GLU A 59 -24.892 22.142 -6.361 1.00 0.00 C ATOM 978 OE1 GLU A 59 -24.669 22.197 -5.132 1.00 0.00 O ATOM 979 OE2 GLU A 59 -25.984 21.772 -6.832 1.00 0.00 O ATOM 0 H GLU A 59 -21.199 19.518 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.980 19.776 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.311 21.319 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.841 21.874 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.364 23.483 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.192 22.650 -8.313 1.00 0.00 H new ATOM 986 N TYR A 60 -22.389 20.496 -10.215 1.00 0.00 N ATOM 987 CA TYR A 60 -22.517 20.730 -11.648 1.00 0.00 C ATOM 988 C TYR A 60 -23.295 19.618 -12.355 1.00 0.00 C ATOM 989 O TYR A 60 -24.210 19.889 -13.129 1.00 0.00 O ATOM 990 CB TYR A 60 -21.120 20.872 -12.267 1.00 0.00 C ATOM 991 CG TYR A 60 -21.114 20.793 -13.774 1.00 0.00 C ATOM 992 CD1 TYR A 60 -21.510 21.873 -14.547 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.737 19.625 -14.422 1.00 0.00 C ATOM 994 CE1 TYR A 60 -21.528 21.795 -15.924 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.759 19.535 -15.797 1.00 0.00 C ATOM 996 CZ TYR A 60 -21.155 20.621 -16.545 1.00 0.00 C ATOM 997 OH TYR A 60 -21.197 20.523 -17.916 1.00 0.00 O ATOM 0 H TYR A 60 -21.424 20.489 -9.884 1.00 0.00 H new ATOM 0 HA TYR A 60 -23.084 21.651 -11.784 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.692 21.826 -11.960 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.474 20.090 -11.868 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.809 22.791 -14.063 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -20.421 18.772 -13.839 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.832 22.648 -16.512 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -20.467 18.617 -16.285 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.284 20.487 -18.270 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.926 18.372 -12.101 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.529 17.251 -12.812 1.00 0.00 C ATOM 1009 C ILE A 61 -24.944 16.948 -12.318 1.00 0.00 C ATOM 1010 O ILE A 61 -25.773 16.451 -13.080 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.660 15.978 -12.738 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.421 15.555 -11.289 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.333 16.210 -13.446 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.588 14.300 -11.160 1.00 0.00 C ATOM 0 H ILE A 61 -22.218 18.111 -11.414 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.591 17.560 -13.855 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.196 15.171 -13.239 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.925 16.368 -10.758 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.383 15.396 -10.801 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.727 15.306 -13.388 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.517 16.457 -14.491 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.804 17.033 -12.966 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.457 14.057 -10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.093 13.475 -11.663 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.613 14.462 -11.619 1.00 0.00 H new ATOM 1026 N GLU A 62 -25.215 17.230 -11.052 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.537 16.979 -10.485 1.00 0.00 C ATOM 1028 C GLU A 62 -27.518 18.089 -10.853 1.00 0.00 C ATOM 1029 O GLU A 62 -28.720 17.849 -10.979 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.452 16.857 -8.969 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.613 15.686 -8.499 1.00 0.00 C ATOM 1032 CD GLU A 62 -26.283 14.349 -8.735 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -27.023 13.888 -7.842 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.077 13.755 -9.812 1.00 0.00 O ATOM 0 H GLU A 62 -24.542 17.631 -10.398 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.902 16.041 -10.904 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -26.035 17.778 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.459 16.757 -8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.654 15.702 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.404 15.799 -7.435 1.00 0.00 H new ATOM 1041 N GLN A 63 -27.003 19.303 -11.017 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.845 20.450 -11.356 1.00 0.00 C ATOM 1043 C GLN A 63 -28.212 20.438 -12.838 1.00 0.00 C ATOM 1044 O GLN A 63 -27.940 19.472 -13.555 1.00 0.00 O ATOM 1045 CB GLN A 63 -27.146 21.775 -11.016 1.00 0.00 C ATOM 1046 CG GLN A 63 -25.968 22.102 -11.920 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.470 23.520 -11.738 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.915 24.439 -12.427 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.552 23.712 -10.806 1.00 0.00 N ATOM 0 H GLN A 63 -26.011 19.520 -10.922 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.754 20.369 -10.760 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.874 22.584 -11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.799 21.736 -9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -25.154 21.406 -11.716 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -26.261 21.954 -12.960 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.210 22.923 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.186 24.649 -10.636 1.00 0.00 H new ATOM 1058 N SER A 64 -28.830 21.518 -13.290 1.00 0.00 N ATOM 1059 CA SER A 64 -29.191 21.654 -14.686 1.00 0.00 C ATOM 1060 C SER A 64 -27.954 21.947 -15.531 1.00 0.00 C ATOM 1061 O SER A 64 -27.526 23.095 -15.645 1.00 0.00 O ATOM 1062 CB SER A 64 -30.238 22.760 -14.857 1.00 0.00 C ATOM 1063 OG SER A 64 -29.809 23.966 -14.246 1.00 0.00 O ATOM 0 H SER A 64 -29.091 22.313 -12.706 1.00 0.00 H new ATOM 0 HA SER A 64 -29.623 20.714 -15.029 1.00 0.00 H new ATOM 0 HB2 SER A 64 -30.421 22.931 -15.918 1.00 0.00 H new ATOM 0 HB3 SER A 64 -31.183 22.442 -14.417 1.00 0.00 H new ATOM 0 HG SER A 64 -28.878 24.145 -14.494 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.361 20.890 -16.080 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.256 21.026 -17.023 1.00 0.00 C ATOM 1071 C LYS A 65 -26.748 21.726 -18.280 1.00 0.00 C ATOM 1072 O LYS A 65 -26.021 22.478 -18.925 1.00 0.00 O ATOM 1073 CB LYS A 65 -25.699 19.642 -17.385 1.00 0.00 C ATOM 1074 CG LYS A 65 -24.731 19.650 -18.560 1.00 0.00 C ATOM 1075 CD LYS A 65 -24.505 18.246 -19.103 1.00 0.00 C ATOM 1076 CE LYS A 65 -23.705 17.385 -18.139 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.264 17.745 -18.148 1.00 0.00 N ATOM 0 H LYS A 65 -27.630 19.925 -15.886 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.463 21.616 -16.563 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -25.193 19.227 -16.514 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -26.531 18.977 -17.618 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -25.122 20.289 -19.351 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -23.779 20.078 -18.246 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -25.468 17.773 -19.298 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -23.980 18.306 -20.057 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.103 17.501 -17.131 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.820 16.335 -18.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -21.822 17.432 -17.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -21.795 17.279 -18.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.164 18.776 -18.239 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.000 21.469 -18.604 1.00 0.00 N ATOM 1092 CA ASN A 66 -28.631 22.062 -19.762 1.00 0.00 C ATOM 1093 C ASN A 66 -29.333 23.350 -19.344 1.00 0.00 C ATOM 1094 O ASN A 66 -29.021 23.921 -18.303 1.00 0.00 O ATOM 1095 CB ASN A 66 -29.644 21.077 -20.339 1.00 0.00 C ATOM 1096 CG ASN A 66 -29.811 21.208 -21.833 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -29.609 22.279 -22.390 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -30.194 20.122 -22.481 1.00 0.00 N ATOM 0 H ASN A 66 -28.606 20.844 -18.072 1.00 0.00 H new ATOM 0 HA ASN A 66 -27.883 22.292 -20.520 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -29.329 20.061 -20.102 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -30.609 21.233 -19.856 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -30.334 20.153 -23.491 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -30.350 19.252 -21.971 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.283 23.812 -20.140 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.056 24.977 -19.758 1.00 0.00 C ATOM 1107 C CYS A 67 -32.413 24.950 -20.420 1.00 0.00 C ATOM 1108 O CYS A 67 -32.552 24.486 -21.554 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.338 26.275 -20.118 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.731 26.927 -21.772 1.00 0.00 S ATOM 0 H CYS A 67 -30.533 23.404 -21.041 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.177 24.944 -18.675 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -30.589 27.032 -19.375 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.263 26.110 -20.053 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.743 25.952 -22.631 1.00 0.00 H new ATOM 1115 N SER A 68 -33.384 25.525 -19.739 1.00 0.00 N ATOM 1116 CA SER A 68 -34.775 25.470 -20.180 1.00 0.00 C ATOM 1117 C SER A 68 -35.010 26.418 -21.358 1.00 0.00 C ATOM 1118 O SER A 68 -36.117 26.535 -21.875 1.00 0.00 O ATOM 1119 CB SER A 68 -35.720 25.805 -19.018 1.00 0.00 C ATOM 1120 OG SER A 68 -37.070 25.527 -19.356 1.00 0.00 O ATOM 0 H SER A 68 -33.240 26.041 -18.871 1.00 0.00 H new ATOM 0 HA SER A 68 -34.987 24.455 -20.515 1.00 0.00 H new ATOM 0 HB2 SER A 68 -35.437 25.228 -18.138 1.00 0.00 H new ATOM 0 HB3 SER A 68 -35.618 26.858 -18.755 1.00 0.00 H new ATOM 0 HG SER A 68 -37.231 25.776 -20.290 1.00 0.00 H new ATOM 1126 N TYR A 69 -33.947 27.094 -21.773 1.00 0.00 N ATOM 1127 CA TYR A 69 -33.987 27.968 -22.931 1.00 0.00 C ATOM 1128 C TYR A 69 -33.818 27.156 -24.209 1.00 0.00 C ATOM 1129 O TYR A 69 -34.019 27.660 -25.310 1.00 0.00 O ATOM 1130 CB TYR A 69 -32.863 28.987 -22.821 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.150 30.297 -23.498 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -33.962 31.238 -22.888 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -32.599 30.602 -24.734 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -34.221 32.446 -23.490 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -32.852 31.814 -25.341 1.00 0.00 C ATOM 1136 CZ TYR A 69 -33.663 32.733 -24.714 1.00 0.00 C ATOM 1137 OH TYR A 69 -33.910 33.945 -25.308 1.00 0.00 O ATOM 0 H TYR A 69 -33.036 27.050 -21.316 1.00 0.00 H new ATOM 0 HA TYR A 69 -34.950 28.478 -22.965 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -32.658 29.173 -21.767 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -31.957 28.560 -23.251 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -34.398 31.019 -21.925 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -31.964 29.881 -25.227 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -34.861 33.168 -23.004 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -32.416 32.041 -26.303 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.441 33.990 -26.167 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.412 25.901 -24.054 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.246 25.013 -25.200 1.00 0.00 C ATOM 1149 C CYS A 70 -34.012 23.709 -24.984 1.00 0.00 C ATOM 1150 O CYS A 70 -34.642 23.190 -25.907 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.762 24.741 -25.478 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.853 24.013 -24.080 1.00 0.00 S ATOM 0 H CYS A 70 -33.193 25.477 -23.153 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.660 25.510 -26.077 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.683 24.072 -26.335 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.281 25.677 -25.760 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.530 24.187 -22.984 1.00 0.00 H new ATOM 1157 N SER A 71 -33.963 23.183 -23.766 1.00 0.00 N ATOM 1158 CA SER A 71 -34.749 22.012 -23.417 1.00 0.00 C ATOM 1159 C SER A 71 -36.017 22.452 -22.696 1.00 0.00 C ATOM 1160 O SER A 71 -36.026 23.482 -22.022 1.00 0.00 O ATOM 1161 CB SER A 71 -33.927 21.056 -22.545 1.00 0.00 C ATOM 1162 OG SER A 71 -33.406 21.713 -21.401 1.00 0.00 O ATOM 0 H SER A 71 -33.388 23.549 -23.007 1.00 0.00 H new ATOM 0 HA SER A 71 -35.027 21.478 -24.326 1.00 0.00 H new ATOM 0 HB2 SER A 71 -34.552 20.219 -22.232 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.108 20.640 -23.132 1.00 0.00 H new ATOM 0 HG SER A 71 -33.641 21.205 -20.597 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.089 21.694 -22.849 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.360 22.070 -22.252 1.00 0.00 C ATOM 1170 C GLU A 72 -38.628 21.255 -20.993 1.00 0.00 C ATOM 1171 O GLU A 72 -39.634 21.467 -20.308 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.502 21.866 -23.250 1.00 0.00 C ATOM 1173 CG GLU A 72 -40.809 22.510 -22.814 1.00 0.00 C ATOM 1174 CD GLU A 72 -42.007 21.931 -23.526 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -42.273 22.331 -24.674 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -42.690 21.068 -22.937 1.00 0.00 O ATOM 0 H GLU A 72 -37.106 20.821 -23.377 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.306 23.125 -21.983 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -39.208 22.277 -24.216 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -39.662 20.797 -23.393 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -40.933 22.381 -21.739 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -40.762 23.582 -23.003 1.00 0.00 H new ATOM 1183 N ASP A 73 -37.729 20.326 -20.686 1.00 0.00 N ATOM 1184 CA ASP A 73 -37.919 19.442 -19.548 1.00 0.00 C ATOM 1185 C ASP A 73 -38.063 20.247 -18.264 1.00 0.00 C ATOM 1186 O ASP A 73 -37.321 21.200 -18.015 1.00 0.00 O ATOM 1187 CB ASP A 73 -36.777 18.422 -19.418 1.00 0.00 C ATOM 1188 CG ASP A 73 -35.501 19.000 -18.831 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -35.352 18.981 -17.588 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -34.631 19.444 -19.614 1.00 0.00 O ATOM 0 H ASP A 73 -36.867 20.168 -21.208 1.00 0.00 H new ATOM 0 HA ASP A 73 -38.839 18.883 -19.719 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -37.111 17.595 -18.792 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -36.558 18.009 -20.403 1.00 0.00 H new ATOM 1195 N GLU A 74 -39.059 19.886 -17.484 1.00 0.00 N ATOM 1196 CA GLU A 74 -39.314 20.540 -16.211 1.00 0.00 C ATOM 1197 C GLU A 74 -38.651 19.771 -15.080 1.00 0.00 C ATOM 1198 O GLU A 74 -38.813 20.103 -13.906 1.00 0.00 O ATOM 1199 CB GLU A 74 -40.820 20.655 -15.969 1.00 0.00 C ATOM 1200 CG GLU A 74 -41.571 19.347 -16.162 1.00 0.00 C ATOM 1201 CD GLU A 74 -43.050 19.475 -15.863 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -43.717 20.331 -16.484 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -43.556 18.714 -15.006 1.00 0.00 O ATOM 0 H GLU A 74 -39.713 19.136 -17.709 1.00 0.00 H new ATOM 0 HA GLU A 74 -38.889 21.543 -16.241 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -40.990 21.015 -14.954 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.232 21.404 -16.646 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -41.440 19.005 -17.189 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -41.138 18.585 -15.514 1.00 0.00 H new ATOM 1210 N ASN A 75 -37.893 18.750 -15.453 1.00 0.00 N ATOM 1211 CA ASN A 75 -37.226 17.889 -14.484 1.00 0.00 C ATOM 1212 C ASN A 75 -36.123 18.642 -13.759 1.00 0.00 C ATOM 1213 O ASN A 75 -35.927 18.472 -12.554 1.00 0.00 O ATOM 1214 CB ASN A 75 -36.647 16.645 -15.161 1.00 0.00 C ATOM 1215 CG ASN A 75 -37.718 15.762 -15.773 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -38.305 14.917 -15.096 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -37.964 15.934 -17.063 1.00 0.00 N ATOM 0 H ASN A 75 -37.723 18.496 -16.426 1.00 0.00 H new ATOM 0 HA ASN A 75 -37.973 17.573 -13.756 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -35.946 16.951 -15.938 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -36.080 16.069 -14.430 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -38.662 15.355 -17.531 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -37.456 16.645 -17.589 1.00 0.00 H new ATOM 1224 N CYS A 76 -35.396 19.466 -14.492 1.00 0.00 N ATOM 1225 CA CYS A 76 -34.374 20.297 -13.892 1.00 0.00 C ATOM 1226 C CYS A 76 -34.798 21.760 -13.928 1.00 0.00 C ATOM 1227 O CYS A 76 -34.954 22.348 -14.998 1.00 0.00 O ATOM 1228 CB CYS A 76 -33.026 20.096 -14.599 1.00 0.00 C ATOM 1229 SG CYS A 76 -33.050 20.378 -16.389 1.00 0.00 S ATOM 0 H CYS A 76 -35.496 19.576 -15.501 1.00 0.00 H new ATOM 0 HA CYS A 76 -34.251 20.001 -12.850 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -32.294 20.768 -14.150 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -32.683 19.079 -14.411 1.00 0.00 H new ATOM 0 HG CYS A 76 -34.112 19.830 -16.900 1.00 0.00 H new ATOM 1235 N ASN A 77 -35.013 22.337 -12.754 1.00 0.00 N ATOM 1236 CA ASN A 77 -35.383 23.738 -12.659 1.00 0.00 C ATOM 1237 C ASN A 77 -34.166 24.615 -12.924 1.00 0.00 C ATOM 1238 O ASN A 77 -33.239 24.694 -12.119 1.00 0.00 O ATOM 1239 CB ASN A 77 -36.019 24.066 -11.296 1.00 0.00 C ATOM 1240 CG ASN A 77 -35.139 23.728 -10.102 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -34.372 22.765 -10.122 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -35.260 24.517 -9.047 1.00 0.00 N ATOM 0 H ASN A 77 -34.937 21.856 -11.858 1.00 0.00 H new ATOM 0 HA ASN A 77 -36.137 23.945 -13.419 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -36.261 25.128 -11.266 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -36.960 23.522 -11.206 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -34.706 24.337 -8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -35.907 25.305 -9.071 1.00 0.00 H new ATOM 1249 N ASN A 78 -34.160 25.244 -14.083 1.00 0.00 N ATOM 1250 CA ASN A 78 -33.035 26.058 -14.505 1.00 0.00 C ATOM 1251 C ASN A 78 -33.185 27.484 -14.006 1.00 0.00 C ATOM 1252 O ASN A 78 -33.977 28.269 -14.527 1.00 0.00 O ATOM 1253 CB ASN A 78 -32.917 26.024 -16.021 1.00 0.00 C ATOM 1254 CG ASN A 78 -31.694 26.738 -16.563 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -31.733 27.292 -17.661 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -30.593 26.695 -15.827 1.00 0.00 N ATOM 0 H ASN A 78 -34.927 25.207 -14.754 1.00 0.00 H new ATOM 0 HA ASN A 78 -32.122 25.650 -14.072 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -32.893 24.985 -16.350 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -33.810 26.475 -16.454 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -29.736 27.132 -16.166 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -30.603 26.225 -14.922 1.00 0.00 H new ATOM 1263 N LEU A 79 -32.423 27.788 -12.974 1.00 0.00 N ATOM 1264 CA LEU A 79 -32.442 29.107 -12.347 1.00 0.00 C ATOM 1265 C LEU A 79 -31.923 30.158 -13.316 1.00 0.00 C ATOM 1266 O LEU A 79 -32.660 31.046 -13.746 1.00 0.00 O ATOM 1267 CB LEU A 79 -31.602 29.126 -11.061 1.00 0.00 C ATOM 1268 CG LEU A 79 -32.235 28.455 -9.836 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -32.268 26.944 -9.987 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -31.484 28.846 -8.572 1.00 0.00 C ATOM 0 H LEU A 79 -31.772 27.132 -12.542 1.00 0.00 H new ATOM 0 HA LEU A 79 -33.475 29.336 -12.084 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -30.649 28.639 -11.266 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -31.382 30.163 -10.809 1.00 0.00 H new ATOM 0 HG LEU A 79 -33.265 28.804 -9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -32.723 26.500 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -32.854 26.679 -10.867 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -31.251 26.567 -10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -31.945 28.362 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -30.444 28.529 -8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -31.524 29.928 -8.445 1.00 0.00 H new ATOM 1282 N LEU A 80 -30.649 30.048 -13.659 1.00 0.00 N ATOM 1283 CA LEU A 80 -30.057 30.922 -14.659 1.00 0.00 C ATOM 1284 C LEU A 80 -30.415 30.414 -16.048 1.00 0.00 C ATOM 1285 O LEU A 80 -29.612 29.760 -16.718 1.00 0.00 O ATOM 1286 CB LEU A 80 -28.530 31.022 -14.500 1.00 0.00 C ATOM 1287 CG LEU A 80 -28.037 31.713 -13.221 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -28.156 30.796 -12.010 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -26.601 32.187 -13.390 1.00 0.00 C ATOM 0 H LEU A 80 -30.006 29.363 -13.260 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.461 31.925 -14.519 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.113 30.015 -14.530 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.128 31.559 -15.359 1.00 0.00 H new ATOM 0 HG LEU A 80 -28.674 32.580 -13.046 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.798 31.317 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.199 30.513 -11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.556 29.901 -12.171 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.268 32.674 -12.473 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -25.958 31.332 -13.600 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.546 32.894 -14.217 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.648 30.683 -16.451 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.163 30.190 -17.712 1.00 0.00 C ATOM 1303 C GLU A 81 -31.560 30.958 -18.871 1.00 0.00 C ATOM 1304 O GLU A 81 -31.524 32.187 -18.874 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.686 30.295 -17.750 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.306 29.602 -18.949 1.00 0.00 C ATOM 1307 CD GLU A 81 -35.781 29.891 -19.084 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -36.570 29.351 -18.283 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -36.157 30.663 -19.990 1.00 0.00 O ATOM 0 H GLU A 81 -32.311 31.244 -15.916 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.884 29.141 -17.805 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.096 29.863 -16.837 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.971 31.347 -17.760 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -33.792 29.922 -19.855 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.156 28.526 -18.860 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.104 30.219 -19.862 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.438 30.824 -20.990 1.00 0.00 C ATOM 1318 C GLY A 82 -28.946 30.623 -20.919 1.00 0.00 C ATOM 1319 O GLY A 82 -28.231 30.931 -21.863 1.00 0.00 O ATOM 0 H GLY A 82 -31.183 29.203 -19.907 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -30.821 30.393 -21.915 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -30.662 31.890 -21.018 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.483 30.086 -19.800 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.070 29.799 -19.611 1.00 0.00 C ATOM 1325 C TYR A 83 -26.872 28.319 -19.307 1.00 0.00 C ATOM 1326 O TYR A 83 -27.827 27.615 -18.976 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.505 30.625 -18.451 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.605 32.118 -18.642 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -27.733 32.818 -18.232 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -25.571 32.826 -19.233 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -27.825 34.185 -18.409 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -25.653 34.191 -19.412 1.00 0.00 C ATOM 1333 CZ TYR A 83 -26.782 34.867 -18.999 1.00 0.00 C ATOM 1334 OH TYR A 83 -26.866 36.230 -19.186 1.00 0.00 O ATOM 0 H TYR A 83 -29.071 29.839 -19.004 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.544 30.060 -20.530 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.031 30.352 -17.536 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.458 30.359 -18.308 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.550 32.285 -17.768 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -24.686 32.300 -19.559 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -28.709 34.716 -18.087 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -24.837 34.728 -19.873 1.00 0.00 H new ATOM 0 HH TYR A 83 -26.045 36.553 -19.614 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.643 27.849 -19.457 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.257 26.519 -18.991 1.00 0.00 C ATOM 1346 C HIS A 84 -24.043 26.660 -18.087 1.00 0.00 C ATOM 1347 O HIS A 84 -23.213 27.552 -18.289 1.00 0.00 O ATOM 1348 CB HIS A 84 -24.905 25.562 -20.143 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.057 25.140 -21.012 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.124 23.922 -21.658 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.133 25.839 -21.427 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.210 23.937 -22.448 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -27.848 25.087 -22.340 1.00 0.00 N ATOM 0 H HIS A 84 -24.888 28.371 -19.901 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.110 26.093 -18.462 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.155 26.040 -20.772 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.445 24.668 -19.721 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.467 23.149 -21.554 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.396 26.833 -21.097 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.519 23.120 -23.084 1.00 0.00 H new ATOM 1361 N PRO A 85 -23.925 25.799 -17.078 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.795 25.827 -16.158 1.00 0.00 C ATOM 1363 C PRO A 85 -21.502 25.337 -16.810 1.00 0.00 C ATOM 1364 O PRO A 85 -21.493 24.351 -17.549 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.232 24.903 -15.023 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.234 23.980 -15.632 1.00 0.00 C ATOM 1367 CD PRO A 85 -24.887 24.735 -16.758 1.00 0.00 C ATOM 0 HA PRO A 85 -22.564 26.838 -15.821 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.385 24.351 -14.616 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.668 25.469 -14.200 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.752 23.074 -16.001 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -24.973 23.670 -14.894 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.070 24.090 -17.618 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -25.851 25.146 -16.457 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.416 26.047 -16.545 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.110 25.690 -17.080 1.00 0.00 C ATOM 1377 C LYS A 86 -18.080 25.615 -15.961 1.00 0.00 C ATOM 1378 O LYS A 86 -17.988 26.515 -15.123 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.660 26.703 -18.143 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.709 28.147 -17.671 1.00 0.00 C ATOM 1381 CD LYS A 86 -18.123 29.110 -18.692 1.00 0.00 C ATOM 1382 CE LYS A 86 -16.628 28.905 -18.863 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.011 29.990 -19.667 1.00 0.00 N ATOM 0 H LYS A 86 -20.414 26.881 -15.958 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.193 24.710 -17.550 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.642 26.465 -18.451 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.292 26.597 -19.024 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.743 28.424 -17.465 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.162 28.239 -16.733 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.622 28.971 -19.651 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.316 30.136 -18.378 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.152 28.863 -17.883 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.446 27.945 -19.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.990 29.815 -19.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.447 30.014 -20.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.163 30.903 -19.193 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.319 24.537 -15.946 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.284 24.347 -14.947 1.00 0.00 C ATOM 1399 C LEU A 87 -15.048 25.162 -15.309 1.00 0.00 C ATOM 1400 O LEU A 87 -14.624 25.183 -16.464 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.918 22.864 -14.843 1.00 0.00 C ATOM 1402 CG LEU A 87 -17.080 21.924 -14.514 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.623 20.474 -14.556 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.665 22.258 -13.151 1.00 0.00 C ATOM 0 H LEU A 87 -17.399 23.775 -16.619 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.662 24.687 -13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.474 22.549 -15.788 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.151 22.749 -14.077 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.857 22.061 -15.266 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.463 19.821 -14.319 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.250 20.239 -15.553 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.828 20.322 -13.826 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -18.490 21.580 -12.933 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.895 22.149 -12.388 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -18.030 23.285 -13.154 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.491 25.849 -14.326 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.264 26.610 -14.519 1.00 0.00 C ATOM 1418 C VAL A 88 -12.280 26.309 -13.399 1.00 0.00 C ATOM 1419 O VAL A 88 -12.674 26.177 -12.245 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.516 28.137 -14.562 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.349 28.519 -15.771 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.194 28.622 -13.288 1.00 0.00 C ATOM 0 H VAL A 88 -14.870 25.896 -13.380 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.854 26.306 -15.482 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.544 28.623 -14.641 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.510 29.597 -15.776 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.825 28.227 -16.681 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.311 28.008 -15.726 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.357 29.698 -13.350 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.152 28.116 -13.170 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.559 28.400 -12.431 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.009 26.181 -13.728 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.003 25.996 -12.701 1.00 0.00 C ATOM 1434 C VAL A 89 -9.500 27.348 -12.229 1.00 0.00 C ATOM 1435 O VAL A 89 -8.892 28.107 -12.986 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.837 25.108 -13.171 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -7.733 25.043 -12.125 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -9.351 23.727 -13.474 1.00 0.00 C ATOM 0 H VAL A 89 -10.652 26.201 -14.683 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.471 25.473 -11.867 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.410 25.546 -14.073 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.925 24.408 -12.488 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.350 26.046 -11.937 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.133 24.628 -11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.526 23.097 -13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.795 23.299 -12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.105 23.783 -14.259 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.778 27.644 -10.975 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.513 28.951 -10.413 1.00 0.00 C ATOM 1450 C ASN A 90 -8.493 28.841 -9.290 1.00 0.00 C ATOM 1451 O ASN A 90 -8.842 28.535 -8.147 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.822 29.543 -9.886 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.052 30.971 -10.333 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -10.113 31.755 -10.464 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.310 31.309 -10.587 1.00 0.00 N ATOM 0 H ASN A 90 -10.194 26.984 -10.318 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.105 29.604 -11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.654 28.925 -10.223 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.818 29.506 -8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -12.530 32.253 -10.905 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.057 30.625 -10.464 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.229 29.066 -9.624 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.174 28.964 -8.636 1.00 0.00 C ATOM 1464 C GLY A 91 -6.013 27.548 -8.119 1.00 0.00 C ATOM 1465 O GLY A 91 -5.628 26.648 -8.863 1.00 0.00 O ATOM 0 H GLY A 91 -6.916 29.317 -10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.234 29.299 -9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.393 29.631 -7.802 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.311 27.351 -6.841 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.200 26.039 -6.225 1.00 0.00 C ATOM 1471 C ARG A 92 -7.570 25.414 -5.999 1.00 0.00 C ATOM 1472 O ARG A 92 -7.714 24.480 -5.207 1.00 0.00 O ATOM 1473 CB ARG A 92 -5.434 26.128 -4.903 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.927 26.052 -5.077 1.00 0.00 C ATOM 1475 CD ARG A 92 -3.385 27.204 -5.903 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.194 26.823 -6.658 1.00 0.00 N ATOM 1477 CZ ARG A 92 -1.225 27.667 -7.009 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.231 28.920 -6.566 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -0.240 27.252 -7.794 1.00 0.00 N ATOM 0 H ARG A 92 -6.632 28.086 -6.211 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.646 25.398 -6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.689 27.064 -4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.759 25.320 -4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.450 26.054 -4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.666 25.109 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.156 27.550 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.146 28.040 -5.246 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.098 25.846 -6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.981 29.241 -5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.486 29.561 -6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.225 26.288 -8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.503 27.897 -8.064 1.00 0.00 H new ATOM 1493 N SER A 93 -8.572 25.927 -6.698 1.00 0.00 N ATOM 1494 CA SER A 93 -9.915 25.387 -6.614 1.00 0.00 C ATOM 1495 C SER A 93 -10.550 25.344 -8.000 1.00 0.00 C ATOM 1496 O SER A 93 -10.021 25.915 -8.950 1.00 0.00 O ATOM 1497 CB SER A 93 -10.765 26.252 -5.682 1.00 0.00 C ATOM 1498 OG SER A 93 -10.107 26.471 -4.443 1.00 0.00 O ATOM 0 H SER A 93 -8.476 26.720 -7.332 1.00 0.00 H new ATOM 0 HA SER A 93 -9.864 24.374 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.974 27.209 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.725 25.767 -5.506 1.00 0.00 H new ATOM 0 HG SER A 93 -10.671 27.028 -3.867 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.667 24.649 -8.121 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.432 24.639 -9.358 1.00 0.00 C ATOM 1506 C ILE A 94 -13.789 25.299 -9.120 1.00 0.00 C ATOM 1507 O ILE A 94 -14.472 24.995 -8.144 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.619 23.198 -9.881 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.247 22.547 -10.095 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.429 23.191 -11.173 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.306 21.064 -10.391 1.00 0.00 C ATOM 0 H ILE A 94 -12.067 24.081 -7.374 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.884 25.199 -10.115 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.173 22.622 -9.140 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.742 23.051 -10.919 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.639 22.705 -9.204 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.548 22.165 -11.522 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.411 23.628 -10.989 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.908 23.775 -11.932 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.295 20.680 -10.529 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.780 20.545 -9.558 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.885 20.897 -11.299 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.165 26.215 -10.001 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.398 26.974 -9.840 1.00 0.00 C ATOM 1525 C ASP A 95 -16.365 26.648 -10.973 1.00 0.00 C ATOM 1526 O ASP A 95 -16.031 25.891 -11.890 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.112 28.483 -9.835 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.068 29.253 -8.942 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.287 29.249 -9.213 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.605 29.876 -7.965 1.00 0.00 O ATOM 0 H ASP A 95 -13.632 26.452 -10.838 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.845 26.696 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.089 28.655 -9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.182 28.866 -10.853 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.548 27.238 -10.915 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.586 26.993 -11.901 1.00 0.00 C ATOM 1537 C ILE A 96 -19.189 28.311 -12.372 1.00 0.00 C ATOM 1538 O ILE A 96 -19.899 28.985 -11.619 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.713 26.115 -11.321 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.136 24.835 -10.713 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.731 25.777 -12.401 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.126 24.079 -9.859 1.00 0.00 C ATOM 0 H ILE A 96 -17.815 27.898 -10.185 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.123 26.472 -12.739 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.216 26.675 -10.533 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.788 24.185 -11.516 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.265 25.089 -10.109 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.520 25.157 -11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.164 26.697 -12.793 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.239 25.235 -13.208 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.652 23.183 -9.459 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.455 24.713 -9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.987 23.795 -10.465 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.891 28.680 -13.605 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.447 29.886 -14.198 1.00 0.00 C ATOM 1556 C GLU A 97 -20.617 29.526 -15.094 1.00 0.00 C ATOM 1557 O GLU A 97 -21.017 28.365 -15.172 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.393 30.632 -15.017 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.166 31.048 -14.229 1.00 0.00 C ATOM 1560 CD GLU A 97 -16.287 31.993 -15.020 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -15.582 31.533 -15.941 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -16.319 33.209 -14.745 1.00 0.00 O ATOM 0 H GLU A 97 -18.264 28.160 -14.219 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.784 30.536 -13.391 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.079 29.998 -15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.850 31.521 -15.451 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.475 31.529 -13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.593 30.163 -13.953 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.151 30.522 -15.779 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.264 30.313 -16.682 1.00 0.00 C ATOM 1571 C TYR A 98 -22.022 31.006 -18.010 1.00 0.00 C ATOM 1572 O TYR A 98 -21.765 32.210 -18.060 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.561 30.827 -16.060 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.225 29.843 -15.129 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -23.883 29.796 -13.785 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.196 28.962 -15.595 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.487 28.902 -12.925 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -25.808 28.063 -14.739 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.446 28.037 -13.404 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.052 27.149 -12.542 1.00 0.00 O ATOM 0 H TYR A 98 -20.828 31.488 -15.725 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.354 29.241 -16.860 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.350 31.745 -15.512 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.258 31.084 -16.858 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.131 30.471 -13.405 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.476 28.980 -16.638 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.209 28.881 -11.882 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -26.563 27.386 -15.111 1.00 0.00 H new ATOM 0 HH TYR A 98 -25.790 26.234 -12.777 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.090 30.233 -19.080 1.00 0.00 N ATOM 1591 CA TYR A 99 -21.991 30.778 -20.423 1.00 0.00 C ATOM 1592 C TYR A 99 -23.363 30.735 -21.067 1.00 0.00 C ATOM 1593 O TYR A 99 -24.188 29.884 -20.723 1.00 0.00 O ATOM 1594 CB TYR A 99 -20.971 30.007 -21.275 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.302 28.544 -21.490 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -20.891 27.585 -20.581 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -22.015 28.126 -22.610 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -21.177 26.248 -20.771 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.306 26.789 -22.812 1.00 0.00 C ATOM 1600 CZ TYR A 99 -21.884 25.853 -21.886 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.169 24.518 -22.080 1.00 0.00 O ATOM 0 H TYR A 99 -22.214 29.221 -19.044 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.639 31.808 -20.361 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.889 30.493 -22.247 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -19.993 30.078 -20.799 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.336 27.889 -19.706 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.346 28.857 -23.333 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -20.848 25.515 -20.049 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -22.859 26.479 -23.686 1.00 0.00 H new ATOM 0 HH TYR A 99 -22.674 24.409 -22.913 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.615 31.642 -21.988 1.00 0.00 N ATOM 1612 CA GLU A 100 -24.926 31.734 -22.593 1.00 0.00 C ATOM 1613 C GLU A 100 -25.146 30.590 -23.571 1.00 0.00 C ATOM 1614 O GLU A 100 -24.289 30.281 -24.402 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.141 33.084 -23.287 1.00 0.00 C ATOM 1616 CG GLU A 100 -24.160 33.378 -24.408 1.00 0.00 C ATOM 1617 CD GLU A 100 -22.801 33.819 -23.905 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -22.630 35.026 -23.640 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -21.905 32.959 -23.767 1.00 0.00 O ATOM 0 H GLU A 100 -22.935 32.320 -22.331 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.661 31.657 -21.792 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -26.153 33.114 -23.690 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -25.071 33.877 -22.542 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -24.042 32.486 -25.023 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -24.573 34.156 -25.050 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.285 29.936 -23.408 1.00 0.00 N ATOM 1627 CA CYS A 101 -26.733 28.887 -24.316 1.00 0.00 C ATOM 1628 C CYS A 101 -26.570 29.329 -25.770 1.00 0.00 C ATOM 1629 O CYS A 101 -27.130 30.346 -26.179 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.209 28.588 -24.029 1.00 0.00 C ATOM 1631 SG CYS A 101 -28.915 27.188 -24.948 1.00 0.00 S ATOM 0 H CYS A 101 -26.930 30.117 -22.639 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.130 27.993 -24.161 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.322 28.394 -22.962 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -28.793 29.480 -24.255 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.725 26.090 -24.279 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.815 28.552 -26.570 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.571 28.856 -27.989 1.00 0.00 C ATOM 1638 C PRO A 102 -26.854 28.904 -28.822 1.00 0.00 C ATOM 1639 O PRO A 102 -26.839 29.314 -29.981 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.670 27.709 -28.464 1.00 0.00 C ATOM 1641 CG PRO A 102 -24.794 26.641 -27.429 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.103 27.338 -26.139 1.00 0.00 C ATOM 0 HA PRO A 102 -25.125 29.844 -28.107 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -24.984 27.344 -29.442 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.636 28.039 -28.564 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -25.585 25.937 -27.690 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -23.870 26.068 -27.349 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -25.720 26.721 -25.486 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.196 27.579 -25.585 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.960 28.481 -28.222 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.263 28.528 -28.873 1.00 0.00 C ATOM 1652 C VAL A 103 -29.836 29.946 -28.831 1.00 0.00 C ATOM 1653 O VAL A 103 -30.636 30.331 -29.685 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.242 27.541 -28.199 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -31.619 27.593 -28.841 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -29.682 26.128 -28.255 1.00 0.00 C ATOM 0 H VAL A 103 -27.979 28.098 -27.277 1.00 0.00 H new ATOM 0 HA VAL A 103 -29.132 28.235 -29.915 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.354 27.839 -27.157 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -32.281 26.886 -28.341 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -32.026 28.600 -28.747 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.539 27.331 -29.896 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -30.380 25.441 -27.777 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -29.538 25.835 -29.295 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -28.726 26.095 -27.733 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.405 30.731 -27.845 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.872 32.106 -27.705 1.00 0.00 C ATOM 1668 C LYS A 104 -29.386 32.930 -28.894 1.00 0.00 C ATOM 1669 O LYS A 104 -30.126 33.740 -29.454 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.372 32.703 -26.387 1.00 0.00 C ATOM 1671 CG LYS A 104 -30.013 34.036 -26.029 1.00 0.00 C ATOM 1672 CD LYS A 104 -29.589 34.494 -24.643 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.186 35.845 -24.286 1.00 0.00 C ATOM 1674 NZ LYS A 104 -31.672 35.807 -24.185 1.00 0.00 N ATOM 0 H LYS A 104 -28.735 30.438 -27.134 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.962 32.120 -27.689 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -29.562 31.992 -25.583 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -28.292 32.835 -26.447 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.731 34.788 -26.766 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -31.098 33.943 -26.068 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -29.899 33.754 -23.905 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -28.502 34.554 -24.597 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -29.770 36.182 -23.337 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -29.895 36.577 -25.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -32.084 36.454 -24.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -32.008 34.840 -24.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -31.963 36.101 -23.231 1.00 0.00 H new