USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 579 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 27 ASN : amide:sc= 1.3 K(o=2.5,f=-2.8!) USER MOD Set 1.2: A 29 THR OG1 : rot 53:sc= 1.22 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 19 MET CE :methyl -170:sc= 0 (180deg=-0.137) USER MOD Single : A 20 MET CE :methyl -111:sc= -1.03 (180deg=-6.72!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -35:sc= 0.121 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.08) USER MOD Single : A 33 THR OG1 : rot 99:sc= 0.0472! USER MOD Single : A 37 THR OG1 : rot -84:sc= 1.29 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.14 K(o=1.1,f=-0.31) USER MOD Single : A 43 SER OG : rot -87:sc= 1.27 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.137 K(o=-0.14,f=-0.9) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.921 K(o=-0.92,f=-0.3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 162:sc= -0.0087 (180deg=-0.749) USER MOD Single : A 69 SER OG : rot 180:sc= -0.212 USER MOD Single : A 70 TYR OH : rot 158:sc= -1.34! USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0346 (180deg=-0.323) USER MOD Single : A 80 SER OG : rot 90:sc= 0.0386 USER MOD Single : A 81 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.49) USER MOD Single : A 84 CYS SG : rot -80:sc= 0.00964 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 0.132 14.876 -0.234 1.00 0.00 N ATOM 234 CA LYS A 16 0.710 14.272 -1.440 1.00 0.00 C ATOM 235 C LYS A 16 0.099 12.885 -1.759 1.00 0.00 C ATOM 236 O LYS A 16 -0.085 12.054 -0.873 1.00 0.00 O ATOM 237 CB LYS A 16 2.251 14.173 -1.285 1.00 0.00 C ATOM 238 CG LYS A 16 2.988 13.466 -2.429 1.00 0.00 C ATOM 239 CD LYS A 16 2.853 14.186 -3.771 1.00 0.00 C ATOM 240 CE LYS A 16 3.578 15.525 -3.800 1.00 0.00 C ATOM 241 NZ LYS A 16 3.486 16.163 -5.135 1.00 0.00 N ATOM 0 HA LYS A 16 0.469 14.918 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.654 15.181 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.472 13.648 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.044 13.382 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.602 12.451 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.248 13.548 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.797 14.346 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.150 16.188 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.626 15.379 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.990 17.073 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.917 15.540 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.487 16.324 -5.374 1.00 0.00 H new ATOM 255 N THR A 17 -0.253 12.689 -3.028 1.00 0.00 N ATOM 256 CA THR A 17 -0.764 11.419 -3.534 1.00 0.00 C ATOM 257 C THR A 17 0.436 10.461 -3.746 1.00 0.00 C ATOM 258 O THR A 17 1.379 10.803 -4.484 1.00 0.00 O ATOM 259 CB THR A 17 -1.452 11.664 -4.900 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.112 12.937 -4.875 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.498 10.599 -5.185 1.00 0.00 C ATOM 0 H THR A 17 -0.190 13.416 -3.741 1.00 0.00 H new ATOM 0 HA THR A 17 -1.477 10.989 -2.830 1.00 0.00 H new ATOM 0 HB THR A 17 -0.686 11.633 -5.674 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.547 13.097 -5.738 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.965 10.796 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.023 9.618 -5.205 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.258 10.617 -4.404 1.00 0.00 H new ATOM 269 N LEU A 18 0.410 9.287 -3.137 1.00 0.00 N ATOM 270 CA LEU A 18 1.573 8.389 -3.201 1.00 0.00 C ATOM 271 C LEU A 18 1.149 6.967 -3.589 1.00 0.00 C ATOM 272 O LEU A 18 0.382 6.315 -2.872 1.00 0.00 O ATOM 273 CB LEU A 18 2.338 8.383 -1.838 1.00 0.00 C ATOM 274 CG LEU A 18 3.715 7.715 -1.817 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.633 8.457 -2.687 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.317 7.652 -0.433 1.00 0.00 C ATOM 0 H LEU A 18 -0.381 8.930 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 18 2.246 8.762 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.458 9.416 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.709 7.887 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 18 3.573 6.693 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.613 7.981 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.247 8.459 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.722 9.483 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.292 7.168 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.432 8.662 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.661 7.080 0.223 1.00 0.00 H new ATOM 288 N MET A 19 1.604 6.520 -4.745 1.00 0.00 N ATOM 289 CA MET A 19 1.347 5.169 -5.218 1.00 0.00 C ATOM 290 C MET A 19 2.341 4.163 -4.658 1.00 0.00 C ATOM 291 O MET A 19 3.497 4.110 -5.061 1.00 0.00 O ATOM 292 CB MET A 19 1.317 5.112 -6.768 1.00 0.00 C ATOM 293 CG MET A 19 2.512 5.761 -7.466 1.00 0.00 C ATOM 294 SD MET A 19 2.385 5.752 -9.271 1.00 0.00 S ATOM 295 CE MET A 19 2.545 4.002 -9.633 1.00 0.00 C ATOM 0 H MET A 19 2.164 7.084 -5.385 1.00 0.00 H new ATOM 0 HA MET A 19 0.361 4.888 -4.846 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.259 4.068 -7.076 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.405 5.598 -7.116 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.609 6.791 -7.122 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.422 5.239 -7.171 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.664 3.862 -10.707 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.417 3.602 -9.116 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.651 3.477 -9.295 1.00 0.00 H new ATOM 305 N MET A 20 1.892 3.372 -3.733 1.00 0.00 N ATOM 306 CA MET A 20 2.737 2.328 -3.188 1.00 0.00 C ATOM 307 C MET A 20 2.679 1.077 -3.994 1.00 0.00 C ATOM 308 O MET A 20 1.611 0.492 -4.204 1.00 0.00 O ATOM 309 CB MET A 20 2.421 1.992 -1.756 1.00 0.00 C ATOM 310 CG MET A 20 3.138 2.840 -0.748 1.00 0.00 C ATOM 311 SD MET A 20 2.620 4.541 -0.778 1.00 0.00 S ATOM 312 CE MET A 20 0.941 4.304 -0.278 1.00 0.00 C ATOM 0 H MET A 20 0.954 3.420 -3.335 1.00 0.00 H new ATOM 0 HA MET A 20 3.744 2.743 -3.230 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.347 2.094 -1.600 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.671 0.946 -1.577 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.969 2.432 0.248 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.211 2.789 -0.935 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.278 4.523 -1.115 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.798 3.271 0.038 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.711 4.972 0.552 1.00 0.00 H new ATOM 322 N PHE A 21 3.858 0.678 -4.377 1.00 0.00 N ATOM 323 CA PHE A 21 4.164 -0.438 -5.226 1.00 0.00 C ATOM 324 C PHE A 21 4.736 -1.525 -4.310 1.00 0.00 C ATOM 325 O PHE A 21 5.811 -1.366 -3.701 1.00 0.00 O ATOM 326 CB PHE A 21 5.185 0.117 -6.213 1.00 0.00 C ATOM 327 CG PHE A 21 5.696 -0.717 -7.335 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.746 -1.587 -7.156 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.175 -0.550 -8.610 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.272 -2.282 -8.218 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.690 -1.255 -9.676 1.00 0.00 C ATOM 332 CZ PHE A 21 6.741 -2.118 -9.477 1.00 0.00 C ATOM 0 H PHE A 21 4.702 1.167 -4.078 1.00 0.00 H new ATOM 0 HA PHE A 21 3.328 -0.874 -5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.749 1.013 -6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.050 0.436 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.162 -1.725 -6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.358 0.139 -8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.101 -2.956 -8.065 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.270 -1.130 -10.663 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.151 -2.669 -10.311 1.00 0.00 H new ATOM 342 N VAL A 22 4.008 -2.588 -4.177 1.00 0.00 N ATOM 343 CA VAL A 22 4.291 -3.592 -3.165 1.00 0.00 C ATOM 344 C VAL A 22 4.491 -5.022 -3.736 1.00 0.00 C ATOM 345 O VAL A 22 3.709 -5.488 -4.589 1.00 0.00 O ATOM 346 CB VAL A 22 3.204 -3.460 -2.012 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.867 -3.008 -2.594 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.009 -4.744 -1.197 1.00 0.00 C ATOM 0 H VAL A 22 3.198 -2.797 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 22 5.269 -3.400 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 22 3.588 -2.709 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.132 -2.922 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.990 -2.040 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.523 -3.739 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.253 -4.577 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.684 -5.548 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.951 -5.021 -0.724 1.00 0.00 H new ATOM 358 N THR A 23 5.609 -5.650 -3.296 1.00 0.00 N ATOM 359 CA THR A 23 6.058 -6.978 -3.687 1.00 0.00 C ATOM 360 C THR A 23 5.529 -8.113 -2.674 1.00 0.00 C ATOM 361 O THR A 23 5.696 -7.956 -1.425 1.00 0.00 O ATOM 362 CB THR A 23 7.613 -6.982 -3.668 1.00 0.00 C ATOM 363 OG1 THR A 23 8.126 -5.992 -4.571 1.00 0.00 O ATOM 364 CG2 THR A 23 8.180 -8.342 -4.018 1.00 0.00 C ATOM 0 H THR A 23 6.241 -5.210 -2.627 1.00 0.00 H new ATOM 0 HA THR A 23 5.663 -7.202 -4.678 1.00 0.00 H new ATOM 0 HB THR A 23 7.925 -6.743 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.106 -6.004 -4.548 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.269 -8.300 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.829 -9.079 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.851 -8.627 -5.017 1.00 0.00 H new ATOM 372 N VAL A 24 4.928 -9.248 -3.202 1.00 0.00 N ATOM 373 CA VAL A 24 4.368 -10.337 -2.419 1.00 0.00 C ATOM 374 C VAL A 24 4.930 -11.680 -3.049 1.00 0.00 C ATOM 375 O VAL A 24 4.553 -11.989 -4.168 1.00 0.00 O ATOM 376 CB VAL A 24 2.819 -10.272 -2.591 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.137 -11.435 -1.951 1.00 0.00 C ATOM 378 CG2 VAL A 24 2.273 -8.986 -2.005 1.00 0.00 C ATOM 0 H VAL A 24 4.837 -9.397 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 24 4.624 -10.281 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 24 2.616 -10.304 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.060 -11.349 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.491 -12.360 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.361 -11.446 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.191 -8.958 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.513 -8.939 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.722 -8.134 -2.516 1.00 0.00 H new ATOM 388 N SER A 25 5.792 -12.499 -2.365 1.00 0.00 N ATOM 389 CA SER A 25 6.523 -13.511 -3.123 1.00 0.00 C ATOM 390 C SER A 25 6.026 -14.951 -2.938 1.00 0.00 C ATOM 391 O SER A 25 6.372 -15.803 -3.762 1.00 0.00 O ATOM 392 CB SER A 25 8.023 -13.422 -2.821 1.00 0.00 C ATOM 393 OG SER A 25 8.804 -14.165 -3.755 1.00 0.00 O ATOM 0 H SER A 25 5.975 -12.469 -1.362 1.00 0.00 H new ATOM 0 HA SER A 25 6.330 -13.276 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.334 -12.378 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.212 -13.794 -1.814 1.00 0.00 H new ATOM 0 HG SER A 25 8.316 -14.972 -4.021 1.00 0.00 H new ATOM 399 N GLY A 26 5.271 -15.228 -1.856 1.00 0.00 N ATOM 400 CA GLY A 26 4.732 -16.586 -1.582 1.00 0.00 C ATOM 401 C GLY A 26 4.249 -17.319 -2.837 1.00 0.00 C ATOM 402 O GLY A 26 4.637 -18.467 -3.075 1.00 0.00 O ATOM 0 H GLY A 26 5.018 -14.533 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.504 -17.183 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.904 -16.504 -0.878 1.00 0.00 H new ATOM 406 N ASN A 27 3.446 -16.664 -3.656 1.00 0.00 N ATOM 407 CA ASN A 27 3.087 -17.206 -4.920 1.00 0.00 C ATOM 408 C ASN A 27 3.660 -16.270 -5.964 1.00 0.00 C ATOM 409 O ASN A 27 3.149 -15.170 -6.163 1.00 0.00 O ATOM 410 CB ASN A 27 1.570 -17.345 -5.051 1.00 0.00 C ATOM 411 CG ASN A 27 1.120 -17.888 -6.388 1.00 0.00 C ATOM 412 OD1 ASN A 27 0.882 -17.125 -7.340 1.00 0.00 O ATOM 413 ND2 ASN A 27 0.969 -19.185 -6.477 1.00 0.00 N ATOM 0 H ASN A 27 3.037 -15.752 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 27 3.487 -18.212 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.205 -18.002 -4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.110 -16.370 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.646 -19.602 -7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.175 -19.779 -5.673 1.00 0.00 H new ATOM 420 N PRO A 28 4.751 -16.673 -6.622 1.00 0.00 N ATOM 421 CA PRO A 28 5.492 -15.829 -7.587 1.00 0.00 C ATOM 422 C PRO A 28 4.783 -15.712 -8.933 1.00 0.00 C ATOM 423 O PRO A 28 5.426 -15.558 -9.971 1.00 0.00 O ATOM 424 CB PRO A 28 6.814 -16.609 -7.782 1.00 0.00 C ATOM 425 CG PRO A 28 6.798 -17.702 -6.773 1.00 0.00 C ATOM 426 CD PRO A 28 5.366 -17.994 -6.499 1.00 0.00 C ATOM 0 HA PRO A 28 5.605 -14.808 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.884 -17.012 -8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.676 -15.958 -7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.310 -18.587 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.314 -17.398 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.951 -18.704 -7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.220 -18.420 -5.506 1.00 0.00 H new ATOM 434 N THR A 29 3.474 -15.713 -8.905 1.00 0.00 N ATOM 435 CA THR A 29 2.684 -15.739 -10.093 1.00 0.00 C ATOM 436 C THR A 29 1.376 -14.979 -9.852 1.00 0.00 C ATOM 437 O THR A 29 1.259 -14.236 -8.854 1.00 0.00 O ATOM 438 CB THR A 29 2.432 -17.204 -10.558 1.00 0.00 C ATOM 439 OG1 THR A 29 2.278 -18.064 -9.421 1.00 0.00 O ATOM 440 CG2 THR A 29 3.555 -17.724 -11.453 1.00 0.00 C ATOM 0 H THR A 29 2.928 -15.696 -8.043 1.00 0.00 H new ATOM 0 HA THR A 29 3.223 -15.242 -10.899 1.00 0.00 H new ATOM 0 HB THR A 29 1.514 -17.204 -11.146 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.596 -17.695 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.336 -18.749 -11.753 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.634 -17.095 -12.340 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.497 -17.699 -10.906 1.00 0.00 H new ATOM 448 N GLU A 30 0.401 -15.136 -10.710 1.00 0.00 N ATOM 449 CA GLU A 30 -0.788 -14.347 -10.602 1.00 0.00 C ATOM 450 C GLU A 30 -1.769 -14.876 -9.566 1.00 0.00 C ATOM 451 O GLU A 30 -2.581 -14.136 -9.108 1.00 0.00 O ATOM 452 CB GLU A 30 -1.445 -14.147 -11.971 1.00 0.00 C ATOM 453 CG GLU A 30 -2.641 -13.207 -11.964 1.00 0.00 C ATOM 454 CD GLU A 30 -3.111 -12.877 -13.340 1.00 0.00 C ATOM 455 OE1 GLU A 30 -3.840 -13.679 -13.937 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.733 -11.818 -13.863 1.00 0.00 O ATOM 0 H GLU A 30 0.411 -15.800 -11.485 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.479 -13.368 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.699 -13.760 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.763 -15.117 -12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.457 -13.665 -11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.374 -12.287 -11.444 1.00 0.00 H new ATOM 463 N LYS A 31 -1.655 -16.130 -9.154 1.00 0.00 N ATOM 464 CA LYS A 31 -2.619 -16.693 -8.200 1.00 0.00 C ATOM 465 C LYS A 31 -2.643 -15.890 -6.878 1.00 0.00 C ATOM 466 O LYS A 31 -3.732 -15.600 -6.324 1.00 0.00 O ATOM 467 CB LYS A 31 -2.387 -18.214 -7.973 1.00 0.00 C ATOM 468 CG LYS A 31 -3.563 -18.943 -7.294 1.00 0.00 C ATOM 469 CD LYS A 31 -3.621 -18.695 -5.795 1.00 0.00 C ATOM 470 CE LYS A 31 -5.050 -18.556 -5.308 1.00 0.00 C ATOM 471 NZ LYS A 31 -5.110 -18.298 -3.860 1.00 0.00 N ATOM 0 H LYS A 31 -0.922 -16.772 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.611 -16.598 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.189 -18.687 -8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.493 -18.346 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.498 -18.617 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.476 -20.014 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.135 -19.518 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.064 -17.790 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.539 -17.742 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.603 -19.467 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.096 -18.125 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.743 -19.123 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.533 -17.463 -3.632 1.00 0.00 H new ATOM 485 N GLU A 32 -1.477 -15.496 -6.402 1.00 0.00 N ATOM 486 CA GLU A 32 -1.414 -14.704 -5.171 1.00 0.00 C ATOM 487 C GLU A 32 -2.052 -13.387 -5.478 1.00 0.00 C ATOM 488 O GLU A 32 -3.046 -13.011 -4.896 1.00 0.00 O ATOM 489 CB GLU A 32 0.038 -14.462 -4.734 1.00 0.00 C ATOM 490 CG GLU A 32 0.235 -14.054 -3.285 1.00 0.00 C ATOM 491 CD GLU A 32 -0.026 -15.206 -2.373 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.907 -15.977 -2.128 1.00 0.00 O ATOM 493 OE2 GLU A 32 -1.176 -15.375 -1.903 1.00 0.00 O ATOM 0 H GLU A 32 -0.575 -15.701 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.919 -15.233 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.608 -15.373 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.464 -13.687 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.253 -13.691 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.435 -13.230 -3.040 1.00 0.00 H new ATOM 500 N THR A 33 -1.431 -12.735 -6.410 1.00 0.00 N ATOM 501 CA THR A 33 -1.852 -11.518 -7.045 1.00 0.00 C ATOM 502 C THR A 33 -3.377 -11.419 -7.203 1.00 0.00 C ATOM 503 O THR A 33 -3.947 -10.448 -6.819 1.00 0.00 O ATOM 504 CB THR A 33 -1.209 -11.486 -8.425 1.00 0.00 C ATOM 505 OG1 THR A 33 0.207 -11.682 -8.270 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.495 -10.179 -9.144 1.00 0.00 C ATOM 0 H THR A 33 -0.540 -13.066 -6.780 1.00 0.00 H new ATOM 0 HA THR A 33 -1.547 -10.678 -6.421 1.00 0.00 H new ATOM 0 HB THR A 33 -1.633 -12.282 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.430 -12.618 -8.456 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.021 -10.192 -10.125 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.572 -10.057 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.098 -9.348 -8.560 1.00 0.00 H new ATOM 514 N GLU A 34 -4.009 -12.433 -7.737 1.00 0.00 N ATOM 515 CA GLU A 34 -5.433 -12.409 -7.973 1.00 0.00 C ATOM 516 C GLU A 34 -6.234 -12.509 -6.669 1.00 0.00 C ATOM 517 O GLU A 34 -7.122 -11.660 -6.417 1.00 0.00 O ATOM 518 CB GLU A 34 -5.828 -13.483 -8.980 1.00 0.00 C ATOM 519 CG GLU A 34 -5.580 -14.916 -8.533 1.00 0.00 C ATOM 520 CD GLU A 34 -5.895 -15.903 -9.627 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.094 -16.057 -10.556 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.976 -16.538 -9.588 1.00 0.00 O ATOM 0 H GLU A 34 -3.552 -13.300 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.685 -11.442 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.887 -13.370 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.280 -13.309 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.539 -15.028 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.192 -15.135 -7.658 1.00 0.00 H new ATOM 529 N GLU A 35 -5.879 -13.505 -5.826 1.00 0.00 N ATOM 530 CA GLU A 35 -6.529 -13.739 -4.514 1.00 0.00 C ATOM 531 C GLU A 35 -6.459 -12.435 -3.736 1.00 0.00 C ATOM 532 O GLU A 35 -7.483 -11.836 -3.302 1.00 0.00 O ATOM 533 CB GLU A 35 -5.685 -14.813 -3.735 1.00 0.00 C ATOM 534 CG GLU A 35 -6.293 -15.299 -2.437 1.00 0.00 C ATOM 535 CD GLU A 35 -7.578 -16.031 -2.664 1.00 0.00 C ATOM 536 OE1 GLU A 35 -7.539 -17.131 -3.267 1.00 0.00 O ATOM 537 OE2 GLU A 35 -8.643 -15.523 -2.285 1.00 0.00 O ATOM 0 H GLU A 35 -5.134 -14.170 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.559 -14.074 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.530 -15.672 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.702 -14.393 -3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.586 -15.955 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.471 -14.449 -1.778 1.00 0.00 H new ATOM 544 N ILE A 36 -5.262 -11.998 -3.657 1.00 0.00 N ATOM 545 CA ILE A 36 -4.861 -10.862 -2.969 1.00 0.00 C ATOM 546 C ILE A 36 -5.400 -9.550 -3.578 1.00 0.00 C ATOM 547 O ILE A 36 -5.832 -8.730 -2.849 1.00 0.00 O ATOM 548 CB ILE A 36 -3.326 -10.913 -2.818 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.854 -11.510 -1.468 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.606 -9.673 -3.186 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.380 -11.791 -1.466 1.00 0.00 C ATOM 0 H ILE A 36 -4.483 -12.473 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.308 -10.860 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.027 -11.625 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.093 -10.817 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.400 -12.432 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.535 -9.818 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.803 -9.434 -4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.949 -8.853 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.090 -12.208 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.145 -12.505 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.833 -10.864 -1.639 1.00 0.00 H new ATOM 563 N THR A 37 -5.474 -9.377 -4.906 1.00 0.00 N ATOM 564 CA THR A 37 -5.922 -8.074 -5.415 1.00 0.00 C ATOM 565 C THR A 37 -7.384 -7.903 -5.222 1.00 0.00 C ATOM 566 O THR A 37 -7.841 -6.805 -4.847 1.00 0.00 O ATOM 567 CB THR A 37 -5.566 -7.773 -6.886 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.838 -8.915 -7.713 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.115 -7.291 -7.052 1.00 0.00 C ATOM 0 H THR A 37 -5.244 -10.078 -5.611 1.00 0.00 H new ATOM 0 HA THR A 37 -5.361 -7.354 -4.820 1.00 0.00 H new ATOM 0 HB THR A 37 -6.202 -6.950 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.079 -9.533 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.916 -7.093 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.967 -6.377 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.432 -8.061 -6.692 1.00 0.00 H new ATOM 577 N SER A 38 -8.130 -8.987 -5.438 1.00 0.00 N ATOM 578 CA SER A 38 -9.528 -8.927 -5.248 1.00 0.00 C ATOM 579 C SER A 38 -9.836 -8.655 -3.774 1.00 0.00 C ATOM 580 O SER A 38 -10.563 -7.692 -3.471 1.00 0.00 O ATOM 581 CB SER A 38 -10.266 -10.170 -5.829 1.00 0.00 C ATOM 582 OG SER A 38 -11.670 -10.085 -5.602 1.00 0.00 O ATOM 0 H SER A 38 -7.770 -9.892 -5.740 1.00 0.00 H new ATOM 0 HA SER A 38 -9.926 -8.091 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.071 -10.245 -6.899 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.874 -11.077 -5.369 1.00 0.00 H new ATOM 0 HG SER A 38 -12.111 -10.876 -5.977 1.00 0.00 H new ATOM 588 N LEU A 39 -9.193 -9.400 -2.843 1.00 0.00 N ATOM 589 CA LEU A 39 -9.463 -9.173 -1.443 1.00 0.00 C ATOM 590 C LEU A 39 -8.922 -7.818 -1.001 1.00 0.00 C ATOM 591 O LEU A 39 -9.639 -7.060 -0.364 1.00 0.00 O ATOM 592 CB LEU A 39 -8.955 -10.324 -0.537 1.00 0.00 C ATOM 593 CG LEU A 39 -9.077 -10.091 0.981 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.532 -9.997 1.414 1.00 0.00 C ATOM 595 CD2 LEU A 39 -8.352 -11.176 1.753 1.00 0.00 C ATOM 0 H LEU A 39 -8.512 -10.132 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.546 -9.160 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.505 -11.230 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.907 -10.511 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.603 -9.136 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.581 -9.833 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.012 -9.166 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.046 -10.925 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.452 -10.990 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.786 -12.146 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.296 -11.172 1.481 1.00 0.00 H new ATOM 607 N TRP A 40 -7.697 -7.483 -1.412 1.00 0.00 N ATOM 608 CA TRP A 40 -7.074 -6.242 -1.012 1.00 0.00 C ATOM 609 C TRP A 40 -7.791 -5.055 -1.577 1.00 0.00 C ATOM 610 O TRP A 40 -8.554 -4.436 -0.865 1.00 0.00 O ATOM 611 CB TRP A 40 -5.568 -6.175 -1.334 1.00 0.00 C ATOM 612 CG TRP A 40 -4.717 -7.146 -0.555 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.125 -7.999 0.429 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.305 -7.340 -0.690 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.060 -8.700 0.911 1.00 0.00 N ATOM 616 CE2 TRP A 40 -2.928 -8.314 0.250 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.319 -6.780 -1.514 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.602 -8.741 0.404 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.002 -7.202 -1.359 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.654 -8.174 -0.403 1.00 0.00 C ATOM 0 H TRP A 40 -7.124 -8.064 -2.024 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.158 -6.214 0.074 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.429 -6.363 -2.399 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.213 -5.163 -1.139 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.143 -8.103 0.775 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.101 -9.403 1.649 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.576 -6.036 -2.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.338 -9.492 1.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.232 -6.775 -1.985 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.378 -8.477 -0.305 1.00 0.00 H new ATOM 631 N GLN A 41 -7.655 -4.772 -2.880 1.00 0.00 N ATOM 632 CA GLN A 41 -8.220 -3.536 -3.369 1.00 0.00 C ATOM 633 C GLN A 41 -9.750 -3.577 -3.390 1.00 0.00 C ATOM 634 O GLN A 41 -10.398 -2.512 -3.359 1.00 0.00 O ATOM 635 CB GLN A 41 -7.528 -2.946 -4.665 1.00 0.00 C ATOM 636 CG GLN A 41 -7.953 -3.480 -6.034 1.00 0.00 C ATOM 637 CD GLN A 41 -9.073 -2.632 -6.642 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.252 -2.894 -6.420 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.717 -1.603 -7.406 1.00 0.00 N ATOM 0 H GLN A 41 -7.183 -5.355 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.964 -2.775 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.692 -1.868 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.454 -3.105 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.095 -3.487 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.289 -4.512 -5.935 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.730 -1.409 -7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.431 -1.008 -7.825 1.00 0.00 H new ATOM 648 N GLY A 42 -10.332 -4.801 -3.361 1.00 0.00 N ATOM 649 CA GLY A 42 -11.754 -4.922 -3.220 1.00 0.00 C ATOM 650 C GLY A 42 -12.192 -4.400 -1.868 1.00 0.00 C ATOM 651 O GLY A 42 -13.075 -3.566 -1.795 1.00 0.00 O ATOM 0 H GLY A 42 -9.828 -5.685 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.254 -4.365 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.050 -5.965 -3.328 1.00 0.00 H new ATOM 655 N SER A 43 -11.524 -4.836 -0.792 1.00 0.00 N ATOM 656 CA SER A 43 -11.851 -4.337 0.536 1.00 0.00 C ATOM 657 C SER A 43 -11.421 -2.868 0.673 1.00 0.00 C ATOM 658 O SER A 43 -12.057 -2.079 1.407 1.00 0.00 O ATOM 659 CB SER A 43 -11.239 -5.218 1.650 1.00 0.00 C ATOM 660 OG SER A 43 -9.822 -5.299 1.552 1.00 0.00 O ATOM 0 H SER A 43 -10.768 -5.521 -0.820 1.00 0.00 H new ATOM 0 HA SER A 43 -12.933 -4.389 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.512 -4.811 2.624 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.664 -6.220 1.593 1.00 0.00 H new ATOM 0 HG SER A 43 -9.577 -6.030 0.947 1.00 0.00 H new ATOM 666 N LEU A 44 -10.358 -2.495 -0.066 1.00 0.00 N ATOM 667 CA LEU A 44 -9.879 -1.121 -0.103 1.00 0.00 C ATOM 668 C LEU A 44 -10.977 -0.196 -0.652 1.00 0.00 C ATOM 669 O LEU A 44 -11.104 0.957 -0.222 1.00 0.00 O ATOM 670 CB LEU A 44 -8.531 -0.961 -0.900 1.00 0.00 C ATOM 671 CG LEU A 44 -7.345 -1.866 -0.500 1.00 0.00 C ATOM 672 CD1 LEU A 44 -5.981 -1.446 -1.175 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.247 -1.972 1.016 1.00 0.00 C ATOM 0 H LEU A 44 -9.819 -3.139 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.650 -0.827 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.743 -1.134 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.208 0.076 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.549 -2.862 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.191 -2.123 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.081 -1.497 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.728 -0.427 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.407 -2.613 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.096 -0.980 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.169 -2.399 1.411 1.00 0.00 H new ATOM 685 N PHE A 45 -11.799 -0.721 -1.565 1.00 0.00 N ATOM 686 CA PHE A 45 -12.926 0.036 -2.097 1.00 0.00 C ATOM 687 C PHE A 45 -14.198 -0.231 -1.281 1.00 0.00 C ATOM 688 O PHE A 45 -15.069 0.627 -1.190 1.00 0.00 O ATOM 689 CB PHE A 45 -13.161 -0.307 -3.572 1.00 0.00 C ATOM 690 CG PHE A 45 -14.257 0.485 -4.237 1.00 0.00 C ATOM 691 CD1 PHE A 45 -14.069 1.822 -4.549 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.475 -0.105 -4.544 1.00 0.00 C ATOM 693 CE1 PHE A 45 -15.071 2.554 -5.154 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.479 0.621 -5.148 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.278 1.953 -5.454 1.00 0.00 C ATOM 0 H PHE A 45 -11.703 -1.662 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.684 1.096 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.232 -0.147 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.399 -1.368 -3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.127 2.297 -4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.638 -1.146 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.911 3.595 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.422 0.149 -5.382 1.00 0.00 H new ATOM 0 HZ PHE A 45 -17.063 2.524 -5.927 1.00 0.00 H new ATOM 705 N ASN A 46 -14.288 -1.401 -0.666 1.00 0.00 N ATOM 706 CA ASN A 46 -15.476 -1.773 0.108 1.00 0.00 C ATOM 707 C ASN A 46 -15.604 -0.911 1.363 1.00 0.00 C ATOM 708 O ASN A 46 -16.701 -0.624 1.810 1.00 0.00 O ATOM 709 CB ASN A 46 -15.489 -3.280 0.457 1.00 0.00 C ATOM 710 CG ASN A 46 -16.813 -3.722 1.057 1.00 0.00 C ATOM 711 OD1 ASN A 46 -17.014 -3.682 2.278 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.710 -4.153 0.210 1.00 0.00 N ATOM 0 H ASN A 46 -13.557 -2.112 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.346 -1.584 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.289 -3.861 -0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.684 -3.495 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.618 -4.473 0.547 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.502 -4.169 -0.789 1.00 0.00 H new ATOM 719 N ALA A 47 -14.470 -0.478 1.909 1.00 0.00 N ATOM 720 CA ALA A 47 -14.481 0.426 3.054 1.00 0.00 C ATOM 721 C ALA A 47 -14.394 1.866 2.556 1.00 0.00 C ATOM 722 O ALA A 47 -14.391 2.822 3.347 1.00 0.00 O ATOM 723 CB ALA A 47 -13.327 0.109 3.988 1.00 0.00 C ATOM 0 H ALA A 47 -13.540 -0.736 1.580 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.409 0.297 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.348 0.792 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.419 -0.917 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.384 0.224 3.453 1.00 0.00 H new ATOM 729 N ASN A 48 -14.329 1.981 1.232 1.00 0.00 N ATOM 730 CA ASN A 48 -14.235 3.230 0.479 1.00 0.00 C ATOM 731 C ASN A 48 -13.167 4.174 1.059 1.00 0.00 C ATOM 732 O ASN A 48 -13.472 5.307 1.448 1.00 0.00 O ATOM 733 CB ASN A 48 -15.611 3.940 0.399 1.00 0.00 C ATOM 734 CG ASN A 48 -15.607 5.119 -0.582 1.00 0.00 C ATOM 735 OD1 ASN A 48 -14.858 5.120 -1.572 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.432 6.108 -0.330 1.00 0.00 N ATOM 0 H ASN A 48 -14.341 1.163 0.623 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.925 2.969 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.371 3.220 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.890 4.297 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.472 6.911 -0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.033 6.073 0.493 1.00 0.00 H new ATOM 743 N TYR A 49 -11.917 3.695 1.221 1.00 0.00 N ATOM 744 CA TYR A 49 -10.863 4.600 1.679 1.00 0.00 C ATOM 745 C TYR A 49 -10.469 5.774 0.698 1.00 0.00 C ATOM 746 O TYR A 49 -9.627 6.574 1.054 1.00 0.00 O ATOM 747 CB TYR A 49 -9.642 3.821 2.129 1.00 0.00 C ATOM 748 CG TYR A 49 -9.673 3.333 3.526 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.753 4.204 4.582 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.592 1.994 3.779 1.00 0.00 C ATOM 751 CE1 TYR A 49 -9.753 3.748 5.877 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.584 1.501 5.054 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.667 2.389 6.118 1.00 0.00 C ATOM 754 OH TYR A 49 -9.661 1.924 7.416 1.00 0.00 O ATOM 0 H TYR A 49 -11.628 2.732 1.049 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.308 5.119 2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.515 2.965 1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.763 4.454 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.817 5.265 4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.533 1.305 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.820 4.444 6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.514 0.438 5.231 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.597 0.946 7.413 1.00 0.00 H new ATOM 764 N ASP A 50 -11.117 5.894 -0.483 1.00 0.00 N ATOM 765 CA ASP A 50 -10.835 6.940 -1.483 1.00 0.00 C ATOM 766 C ASP A 50 -9.388 6.880 -1.956 1.00 0.00 C ATOM 767 O ASP A 50 -8.555 7.707 -1.614 1.00 0.00 O ATOM 768 CB ASP A 50 -11.235 8.342 -0.999 1.00 0.00 C ATOM 769 CG ASP A 50 -11.064 9.393 -2.063 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.882 9.435 -3.008 1.00 0.00 O ATOM 771 OD2 ASP A 50 -10.123 10.204 -1.985 1.00 0.00 O ATOM 0 H ASP A 50 -11.860 5.256 -0.769 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.466 6.733 -2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.275 8.327 -0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.632 8.608 -0.131 1.00 0.00 H new ATOM 776 N VAL A 51 -9.114 5.851 -2.707 1.00 0.00 N ATOM 777 CA VAL A 51 -7.767 5.510 -3.149 1.00 0.00 C ATOM 778 C VAL A 51 -7.793 4.882 -4.517 1.00 0.00 C ATOM 779 O VAL A 51 -8.853 4.587 -5.050 1.00 0.00 O ATOM 780 CB VAL A 51 -7.108 4.500 -2.188 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.324 5.172 -1.105 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.162 3.652 -1.563 1.00 0.00 C ATOM 0 H VAL A 51 -9.828 5.204 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.198 6.439 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.418 3.895 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.880 4.418 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.534 5.778 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.985 5.811 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.698 2.937 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.855 4.284 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.704 3.114 -2.340 1.00 0.00 H new ATOM 792 N GLN A 52 -6.633 4.615 -5.041 1.00 0.00 N ATOM 793 CA GLN A 52 -6.487 3.993 -6.352 1.00 0.00 C ATOM 794 C GLN A 52 -5.514 2.843 -6.199 1.00 0.00 C ATOM 795 O GLN A 52 -4.396 3.034 -5.825 1.00 0.00 O ATOM 796 CB GLN A 52 -5.969 5.062 -7.294 1.00 0.00 C ATOM 797 CG GLN A 52 -5.662 4.631 -8.694 1.00 0.00 C ATOM 798 CD GLN A 52 -5.101 5.784 -9.475 1.00 0.00 C ATOM 799 OE1 GLN A 52 -5.823 6.521 -10.134 1.00 0.00 O ATOM 800 NE2 GLN A 52 -3.824 5.983 -9.355 1.00 0.00 N ATOM 0 H GLN A 52 -5.747 4.819 -4.579 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.421 3.600 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.707 5.863 -7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.063 5.487 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.948 3.808 -8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.567 4.261 -9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.259 5.344 -8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.386 6.778 -9.820 1.00 0.00 H new ATOM 809 N ARG A 53 -5.964 1.648 -6.413 1.00 0.00 N ATOM 810 CA ARG A 53 -5.138 0.490 -6.124 1.00 0.00 C ATOM 811 C ARG A 53 -5.150 -0.417 -7.325 1.00 0.00 C ATOM 812 O ARG A 53 -6.189 -0.583 -7.957 1.00 0.00 O ATOM 813 CB ARG A 53 -5.598 -0.253 -4.832 1.00 0.00 C ATOM 814 CG ARG A 53 -5.849 0.624 -3.611 1.00 0.00 C ATOM 815 CD ARG A 53 -7.144 1.328 -3.747 1.00 0.00 C ATOM 816 NE ARG A 53 -8.281 0.416 -3.945 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.402 0.728 -4.628 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.620 1.966 -5.041 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.311 -0.190 -4.856 1.00 0.00 N ATOM 0 H ARG A 53 -6.890 1.436 -6.784 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.118 0.819 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.514 -0.799 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.841 -0.994 -4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.852 0.012 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.042 1.349 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.319 1.928 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.089 2.018 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.218 -0.517 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.937 2.697 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.471 2.189 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.171 -1.142 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.158 0.048 -5.373 1.00 0.00 H new ATOM 833 N PHE A 54 -4.026 -0.999 -7.639 1.00 0.00 N ATOM 834 CA PHE A 54 -3.887 -1.676 -8.931 1.00 0.00 C ATOM 835 C PHE A 54 -3.261 -3.031 -8.883 1.00 0.00 C ATOM 836 O PHE A 54 -2.470 -3.353 -7.977 1.00 0.00 O ATOM 837 CB PHE A 54 -3.112 -0.829 -9.956 1.00 0.00 C ATOM 838 CG PHE A 54 -3.920 0.176 -10.722 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.608 -0.212 -11.860 1.00 0.00 C ATOM 840 CD2 PHE A 54 -3.973 1.500 -10.337 1.00 0.00 C ATOM 841 CE1 PHE A 54 -5.337 0.697 -12.594 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.697 2.416 -11.071 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.381 2.016 -12.201 1.00 0.00 C ATOM 0 H PHE A 54 -3.199 -1.028 -7.043 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.924 -1.808 -9.241 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.314 -0.302 -9.433 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.636 -1.502 -10.669 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.572 -1.244 -12.177 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.443 1.822 -9.453 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.873 0.376 -13.475 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.729 3.450 -10.760 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.948 2.734 -12.774 1.00 0.00 H new ATOM 853 N ILE A 55 -3.651 -3.824 -9.854 1.00 0.00 N ATOM 854 CA ILE A 55 -3.018 -5.064 -10.179 1.00 0.00 C ATOM 855 C ILE A 55 -1.998 -4.716 -11.246 1.00 0.00 C ATOM 856 O ILE A 55 -2.351 -4.534 -12.412 1.00 0.00 O ATOM 857 CB ILE A 55 -3.997 -6.079 -10.813 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.294 -6.171 -10.015 1.00 0.00 C ATOM 859 CG2 ILE A 55 -3.330 -7.453 -10.919 1.00 0.00 C ATOM 860 CD1 ILE A 55 -6.289 -7.143 -10.590 1.00 0.00 C ATOM 0 H ILE A 55 -4.446 -3.608 -10.455 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.607 -5.513 -9.275 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.250 -5.730 -11.814 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.061 -6.466 -8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.751 -5.183 -9.966 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.026 -8.162 -11.367 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.439 -7.378 -11.542 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.049 -7.799 -9.924 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.186 -7.155 -9.970 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.552 -6.838 -11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.851 -8.141 -10.614 1.00 0.00 H new ATOM 872 N VAL A 56 -0.786 -4.534 -10.857 1.00 0.00 N ATOM 873 CA VAL A 56 0.236 -4.155 -11.778 1.00 0.00 C ATOM 874 C VAL A 56 1.057 -5.337 -12.211 1.00 0.00 C ATOM 875 O VAL A 56 1.684 -5.300 -13.275 1.00 0.00 O ATOM 876 CB VAL A 56 1.122 -3.003 -11.244 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.354 -1.691 -11.294 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.559 -3.288 -9.816 1.00 0.00 C ATOM 0 H VAL A 56 -0.471 -4.642 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.270 -3.767 -12.662 1.00 0.00 H new ATOM 0 HB VAL A 56 2.008 -2.926 -11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.984 -0.886 -10.917 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.068 -1.476 -12.324 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.542 -1.770 -10.678 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.181 -2.469 -9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.680 -3.384 -9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.130 -4.216 -9.789 1.00 0.00 H new ATOM 888 N GLY A 57 1.071 -6.388 -11.414 1.00 0.00 N ATOM 889 CA GLY A 57 1.765 -7.564 -11.855 1.00 0.00 C ATOM 890 C GLY A 57 1.676 -8.701 -10.908 1.00 0.00 C ATOM 891 O GLY A 57 1.220 -8.550 -9.786 1.00 0.00 O ATOM 0 H GLY A 57 0.628 -6.446 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.361 -7.873 -12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.815 -7.317 -12.014 1.00 0.00 H new ATOM 895 N SER A 58 2.095 -9.844 -11.360 1.00 0.00 N ATOM 896 CA SER A 58 2.174 -11.007 -10.528 1.00 0.00 C ATOM 897 C SER A 58 3.225 -10.729 -9.453 1.00 0.00 C ATOM 898 O SER A 58 4.367 -10.379 -9.812 1.00 0.00 O ATOM 899 CB SER A 58 2.591 -12.193 -11.395 1.00 0.00 C ATOM 900 OG SER A 58 1.684 -12.375 -12.487 1.00 0.00 O ATOM 0 H SER A 58 2.394 -9.997 -12.323 1.00 0.00 H new ATOM 0 HA SER A 58 1.218 -11.236 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.599 -12.031 -11.778 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.622 -13.098 -10.789 1.00 0.00 H new ATOM 0 HG SER A 58 1.973 -13.139 -13.028 1.00 0.00 H new ATOM 906 N ASP A 59 2.825 -10.775 -8.142 1.00 0.00 N ATOM 907 CA ASP A 59 3.742 -10.496 -7.040 1.00 0.00 C ATOM 908 C ASP A 59 3.914 -8.956 -6.908 1.00 0.00 C ATOM 909 O ASP A 59 4.769 -8.443 -6.188 1.00 0.00 O ATOM 910 CB ASP A 59 5.089 -11.338 -7.211 1.00 0.00 C ATOM 911 CG ASP A 59 6.390 -10.726 -6.666 1.00 0.00 C ATOM 912 OD1 ASP A 59 7.003 -9.898 -7.372 1.00 0.00 O ATOM 913 OD2 ASP A 59 6.880 -11.146 -5.606 1.00 0.00 O ATOM 0 H ASP A 59 1.875 -11.003 -7.848 1.00 0.00 H new ATOM 0 HA ASP A 59 3.341 -10.831 -6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.944 -12.304 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.230 -11.533 -8.274 1.00 0.00 H new ATOM 918 N ARG A 60 3.004 -8.205 -7.565 1.00 0.00 N ATOM 919 CA ARG A 60 3.078 -6.759 -7.557 1.00 0.00 C ATOM 920 C ARG A 60 1.658 -6.121 -7.522 1.00 0.00 C ATOM 921 O ARG A 60 0.870 -6.237 -8.473 1.00 0.00 O ATOM 922 CB ARG A 60 3.840 -6.325 -8.805 1.00 0.00 C ATOM 923 CG ARG A 60 4.562 -5.007 -8.681 1.00 0.00 C ATOM 924 CD ARG A 60 5.534 -5.032 -7.506 1.00 0.00 C ATOM 925 NE ARG A 60 6.332 -6.286 -7.452 1.00 0.00 N ATOM 926 CZ ARG A 60 7.657 -6.410 -7.705 1.00 0.00 C ATOM 927 NH1 ARG A 60 8.400 -5.346 -7.998 1.00 0.00 N ATOM 928 NH2 ARG A 60 8.225 -7.602 -7.647 1.00 0.00 N ATOM 0 H ARG A 60 2.223 -8.587 -8.098 1.00 0.00 H new ATOM 0 HA ARG A 60 3.596 -6.418 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.566 -7.098 -9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.139 -6.262 -9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.104 -4.796 -9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.839 -4.202 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.209 -4.179 -7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.977 -4.919 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 60 5.831 -7.138 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.973 -4.420 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.396 -5.456 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.666 -8.422 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.222 -7.701 -7.837 1.00 0.00 H new ATOM 942 N ALA A 61 1.384 -5.398 -6.465 1.00 0.00 N ATOM 943 CA ALA A 61 0.066 -4.796 -6.221 1.00 0.00 C ATOM 944 C ALA A 61 0.297 -3.343 -5.896 1.00 0.00 C ATOM 945 O ALA A 61 1.466 -2.960 -5.681 1.00 0.00 O ATOM 946 CB ALA A 61 -0.572 -5.483 -5.012 1.00 0.00 C ATOM 0 H ALA A 61 2.066 -5.200 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.587 -4.905 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.552 -5.045 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.684 -6.548 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.064 -5.346 -4.138 1.00 0.00 H new ATOM 952 N ILE A 62 -0.736 -2.496 -5.897 1.00 0.00 N ATOM 953 CA ILE A 62 -0.513 -1.148 -5.429 1.00 0.00 C ATOM 954 C ILE A 62 -1.642 -0.719 -4.607 1.00 0.00 C ATOM 955 O ILE A 62 -2.790 -1.183 -4.831 1.00 0.00 O ATOM 956 CB ILE A 62 -0.379 -0.024 -6.545 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.711 0.781 -6.717 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.043 -0.597 -7.865 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.601 1.968 -7.638 1.00 0.00 C ATOM 0 H ILE A 62 -1.685 -2.713 -6.202 1.00 0.00 H new ATOM 0 HA ILE A 62 0.440 -1.224 -4.905 1.00 0.00 H new ATOM 0 HB ILE A 62 0.398 0.660 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.481 0.110 -7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.044 1.125 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.123 0.204 -8.600 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.010 -1.088 -7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.697 -1.324 -8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.567 2.470 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.856 2.662 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.301 1.632 -8.630 1.00 0.00 H new ATOM 971 N PHE A 63 -1.339 0.221 -3.746 1.00 0.00 N ATOM 972 CA PHE A 63 -2.319 1.011 -3.095 1.00 0.00 C ATOM 973 C PHE A 63 -1.845 2.462 -3.153 1.00 0.00 C ATOM 974 O PHE A 63 -0.817 2.841 -2.567 1.00 0.00 O ATOM 975 CB PHE A 63 -2.718 0.521 -1.670 1.00 0.00 C ATOM 976 CG PHE A 63 -1.708 0.658 -0.570 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.524 -0.071 -0.586 1.00 0.00 C ATOM 978 CD2 PHE A 63 -1.966 1.493 0.520 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.382 0.033 0.454 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.060 1.587 1.538 1.00 0.00 C ATOM 981 CZ PHE A 63 0.111 0.860 1.510 1.00 0.00 C ATOM 0 H PHE A 63 -0.381 0.452 -3.482 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.267 0.912 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.615 1.063 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.991 -0.532 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.310 -0.725 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.882 2.064 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.300 -0.536 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.264 2.239 2.375 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.816 0.943 2.324 1.00 0.00 H new ATOM 991 N MET A 64 -2.486 3.217 -3.990 1.00 0.00 N ATOM 992 CA MET A 64 -2.153 4.635 -4.153 1.00 0.00 C ATOM 993 C MET A 64 -3.002 5.487 -3.233 1.00 0.00 C ATOM 994 O MET A 64 -4.238 5.599 -3.427 1.00 0.00 O ATOM 995 CB MET A 64 -2.237 5.080 -5.637 1.00 0.00 C ATOM 996 CG MET A 64 -1.897 6.545 -5.918 1.00 0.00 C ATOM 997 SD MET A 64 -1.455 6.821 -7.644 1.00 0.00 S ATOM 998 CE MET A 64 -0.956 8.537 -7.609 1.00 0.00 C ATOM 0 H MET A 64 -3.250 2.892 -4.583 1.00 0.00 H new ATOM 0 HA MET A 64 -1.113 4.781 -3.860 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.565 4.453 -6.222 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.247 4.887 -5.997 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.751 7.171 -5.659 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.070 6.854 -5.279 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.366 8.763 -8.497 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.841 9.173 -7.590 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.356 8.723 -6.718 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.310 6.045 -2.229 1.00 0.00 N ATOM 1009 CA LEU A 65 -2.867 6.842 -1.136 1.00 0.00 C ATOM 1010 C LEU A 65 -3.239 8.218 -1.610 1.00 0.00 C ATOM 1011 O LEU A 65 -2.473 8.865 -2.363 1.00 0.00 O ATOM 1012 CB LEU A 65 -1.839 6.817 0.081 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.224 8.089 0.756 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.256 7.642 1.831 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.437 8.899 -0.203 1.00 0.00 C ATOM 0 H LEU A 65 -1.297 5.945 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.803 6.414 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.331 6.261 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.994 6.215 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.049 8.684 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.182 8.516 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.787 7.047 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.534 7.041 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.029 9.771 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.379 8.298 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.082 9.225 -1.019 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.427 8.622 -1.249 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.912 9.940 -1.614 1.00 0.00 C ATOM 1029 C ARG A 66 -4.993 10.938 -0.426 1.00 0.00 C ATOM 1030 O ARG A 66 -4.428 12.018 -0.541 1.00 0.00 O ATOM 1031 CB ARG A 66 -6.156 9.845 -2.556 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.650 11.126 -3.234 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.358 12.120 -2.322 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.992 13.173 -3.133 1.00 0.00 N ATOM 1035 CZ ARG A 66 -8.215 14.440 -2.769 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -7.851 14.877 -1.563 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -8.817 15.269 -3.622 1.00 0.00 N ATOM 0 H ARG A 66 -5.082 8.063 -0.703 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.151 10.424 -2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.927 9.121 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.983 9.436 -1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.797 11.625 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.330 10.851 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.110 11.607 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.644 12.563 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.293 12.908 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.397 14.242 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.027 15.846 -1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.103 14.935 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.992 16.238 -3.354 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.698 10.608 0.678 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.690 11.433 1.915 1.00 0.00 C ATOM 1053 C ASP A 67 -4.308 12.013 2.341 1.00 0.00 C ATOM 1054 O ASP A 67 -4.248 13.142 2.806 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.325 10.650 3.086 1.00 0.00 C ATOM 1056 CG ASP A 67 -5.998 11.207 4.461 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -6.728 12.091 4.949 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -5.015 10.737 5.087 1.00 0.00 O ATOM 0 H ASP A 67 -6.283 9.775 0.742 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.288 12.309 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.407 10.642 2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.991 9.613 3.038 1.00 0.00 H new ATOM 1063 N GLY A 68 -3.192 11.307 2.117 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.970 11.811 2.651 1.00 0.00 C ATOM 1065 C GLY A 68 -1.396 11.012 3.824 1.00 0.00 C ATOM 1066 O GLY A 68 -0.185 10.960 3.988 1.00 0.00 O ATOM 0 H GLY A 68 -3.130 10.433 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.228 11.840 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.130 12.839 2.975 1.00 0.00 H new ATOM 1070 N SER A 69 -2.239 10.382 4.653 1.00 0.00 N ATOM 1071 CA SER A 69 -1.728 9.769 5.902 1.00 0.00 C ATOM 1072 C SER A 69 -2.646 8.647 6.507 1.00 0.00 C ATOM 1073 O SER A 69 -3.129 8.793 7.637 1.00 0.00 O ATOM 1074 CB SER A 69 -1.554 10.880 6.970 1.00 0.00 C ATOM 1075 OG SER A 69 -0.623 11.881 6.550 1.00 0.00 O ATOM 0 H SER A 69 -3.242 10.281 4.498 1.00 0.00 H new ATOM 0 HA SER A 69 -0.786 9.290 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.519 11.344 7.172 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.212 10.435 7.905 1.00 0.00 H new ATOM 0 HG SER A 69 -0.541 12.565 7.247 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.909 7.558 5.776 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.733 6.464 6.296 1.00 0.00 C ATOM 1083 C TYR A 70 -3.345 5.146 5.624 1.00 0.00 C ATOM 1084 O TYR A 70 -4.086 4.180 5.642 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.227 6.772 6.032 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.656 6.973 4.556 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.750 6.940 3.482 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.979 7.192 4.257 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.160 7.115 2.191 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.392 7.376 2.958 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.469 7.330 1.932 1.00 0.00 C ATOM 1092 OH TYR A 70 -6.847 7.550 0.646 1.00 0.00 O ATOM 0 H TYR A 70 -2.565 7.412 4.827 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.567 6.371 7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.819 5.957 6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.490 7.673 6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.702 6.772 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.706 7.220 5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.444 7.082 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.435 7.556 2.741 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.800 7.346 0.546 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.153 5.111 5.092 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.755 4.047 4.224 1.00 0.00 C ATOM 1104 C ALA A 71 -0.850 3.021 4.857 1.00 0.00 C ATOM 1105 O ALA A 71 -0.873 1.873 4.471 1.00 0.00 O ATOM 1106 CB ALA A 71 -1.078 4.619 3.013 1.00 0.00 C ATOM 0 H ALA A 71 -1.436 5.819 5.250 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.672 3.519 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.774 3.809 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.769 5.278 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.199 5.185 3.321 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.055 3.372 5.816 1.00 0.00 N ATOM 1113 CA TRP A 72 0.902 2.391 6.240 1.00 0.00 C ATOM 1114 C TRP A 72 0.381 1.448 7.300 1.00 0.00 C ATOM 1115 O TRP A 72 0.929 0.367 7.566 1.00 0.00 O ATOM 1116 CB TRP A 72 2.342 2.950 6.295 1.00 0.00 C ATOM 1117 CG TRP A 72 2.608 3.504 4.899 1.00 0.00 C ATOM 1118 CD1 TRP A 72 2.332 2.842 3.736 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.124 4.796 4.486 1.00 0.00 C ATOM 1120 NE1 TRP A 72 2.557 3.644 2.672 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.046 4.818 3.078 1.00 0.00 C ATOM 1122 CE3 TRP A 72 3.618 5.927 5.129 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.420 5.903 2.309 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 4.014 7.021 4.331 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.900 6.984 2.933 1.00 0.00 C ATOM 0 H TRP A 72 -0.040 4.271 6.298 1.00 0.00 H new ATOM 0 HA TRP A 72 1.044 1.645 5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.434 3.729 7.052 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.058 2.170 6.552 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.983 1.822 3.676 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.379 3.390 1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.696 5.966 6.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.327 5.879 1.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 4.413 7.905 4.806 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.205 7.842 2.352 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.777 1.818 7.793 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.604 0.963 8.589 1.00 0.00 C ATOM 1138 C GLU A 73 -2.200 -0.055 7.597 1.00 0.00 C ATOM 1139 O GLU A 73 -2.195 -1.313 7.830 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.689 1.834 9.217 1.00 0.00 C ATOM 1141 CG GLU A 73 -3.598 1.158 10.199 1.00 0.00 C ATOM 1142 CD GLU A 73 -4.524 2.144 10.839 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -4.114 2.815 11.808 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -5.677 2.294 10.395 1.00 0.00 O ATOM 0 H GLU A 73 -1.174 2.746 7.644 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.076 0.447 9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.207 2.673 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.300 2.250 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.177 0.386 9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.005 0.660 10.966 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.627 0.497 6.428 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.087 -0.304 5.320 1.00 0.00 C ATOM 1153 C ILE A 74 -2.021 -1.405 5.018 1.00 0.00 C ATOM 1154 O ILE A 74 -2.352 -2.639 4.988 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.437 0.550 4.001 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.738 1.340 4.134 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.590 -0.376 2.876 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -5.024 2.352 3.051 1.00 0.00 C ATOM 0 H ILE A 74 -2.652 1.502 6.254 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.031 -0.763 5.615 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.624 1.260 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.566 0.632 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.725 1.860 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.828 0.185 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.660 -0.925 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.396 -1.078 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.973 2.847 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.226 3.094 3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.079 1.847 2.087 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.726 -0.947 4.960 1.00 0.00 N ATOM 1171 CA LYS A 75 0.458 -1.762 4.698 1.00 0.00 C ATOM 1172 C LYS A 75 0.547 -2.891 5.696 1.00 0.00 C ATOM 1173 O LYS A 75 0.675 -4.060 5.330 1.00 0.00 O ATOM 1174 CB LYS A 75 1.712 -0.865 4.766 1.00 0.00 C ATOM 1175 CG LYS A 75 3.050 -1.592 4.819 1.00 0.00 C ATOM 1176 CD LYS A 75 4.199 -0.594 4.934 1.00 0.00 C ATOM 1177 CE LYS A 75 5.536 -1.281 5.201 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.534 -1.993 6.491 1.00 0.00 N ATOM 0 H LYS A 75 -0.497 0.037 5.103 1.00 0.00 H new ATOM 0 HA LYS A 75 0.389 -2.202 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.712 -0.208 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.632 -0.228 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.066 -2.273 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.176 -2.199 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.268 -0.014 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.987 0.110 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.751 -1.985 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.334 -0.539 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.514 -2.183 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.065 -1.407 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.022 -2.893 6.390 1.00 0.00 H new ATOM 1192 N ASP A 76 0.441 -2.558 6.942 1.00 0.00 N ATOM 1193 CA ASP A 76 0.465 -3.574 7.967 1.00 0.00 C ATOM 1194 C ASP A 76 -0.689 -4.569 7.850 1.00 0.00 C ATOM 1195 O ASP A 76 -0.524 -5.741 8.219 1.00 0.00 O ATOM 1196 CB ASP A 76 0.560 -3.002 9.383 1.00 0.00 C ATOM 1197 CG ASP A 76 1.934 -2.469 9.709 1.00 0.00 C ATOM 1198 OD1 ASP A 76 2.887 -3.287 9.837 1.00 0.00 O ATOM 1199 OD2 ASP A 76 2.101 -1.238 9.878 1.00 0.00 O ATOM 0 H ASP A 76 0.338 -1.602 7.282 1.00 0.00 H new ATOM 0 HA ASP A 76 1.386 -4.128 7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.171 -2.202 9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.297 -3.778 10.102 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.824 -4.171 7.245 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.964 -5.096 7.222 1.00 0.00 C ATOM 1206 C PHE A 77 -2.673 -6.170 6.246 1.00 0.00 C ATOM 1207 O PHE A 77 -2.527 -7.332 6.596 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.319 -4.486 6.799 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.830 -3.320 7.585 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.810 -3.329 8.970 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.353 -2.213 6.931 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.297 -2.258 9.689 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.842 -1.139 7.644 1.00 0.00 C ATOM 1214 CZ PHE A 77 -5.814 -1.163 9.024 1.00 0.00 C ATOM 0 H PHE A 77 -1.971 -3.269 6.791 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.072 -5.432 8.253 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.238 -4.179 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.070 -5.275 6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.408 -4.185 9.493 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.377 -2.193 5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.274 -2.275 10.769 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.245 -0.282 7.125 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.197 -0.324 9.585 1.00 0.00 H new ATOM 1224 N LEU A 78 -2.503 -5.770 5.028 1.00 0.00 N ATOM 1225 CA LEU A 78 -2.343 -6.745 3.959 1.00 0.00 C ATOM 1226 C LEU A 78 -1.029 -7.546 4.098 1.00 0.00 C ATOM 1227 O LEU A 78 -0.982 -8.820 3.859 1.00 0.00 O ATOM 1228 CB LEU A 78 -2.462 -6.074 2.607 1.00 0.00 C ATOM 1229 CG LEU A 78 -1.323 -5.232 2.105 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -1.604 -4.749 0.775 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -1.070 -4.094 2.911 1.00 0.00 C ATOM 0 H LEU A 78 -2.469 -4.794 4.735 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.151 -7.471 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.644 -6.854 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.351 -5.444 2.630 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.449 -5.884 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.770 -4.141 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.743 -5.595 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.511 -4.145 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.236 -3.530 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.958 -3.462 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.821 -4.413 3.923 1.00 0.00 H new ATOM 1243 N VAL A 79 -0.006 -6.874 4.630 1.00 0.00 N ATOM 1244 CA VAL A 79 1.273 -7.476 4.759 1.00 0.00 C ATOM 1245 C VAL A 79 1.292 -8.437 5.945 1.00 0.00 C ATOM 1246 O VAL A 79 2.079 -9.370 5.997 1.00 0.00 O ATOM 1247 CB VAL A 79 2.413 -6.402 4.716 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.767 -6.943 5.101 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.466 -5.871 3.293 1.00 0.00 C ATOM 0 H VAL A 79 -0.063 -5.914 4.971 1.00 0.00 H new ATOM 0 HA VAL A 79 1.484 -8.106 3.895 1.00 0.00 H new ATOM 0 HB VAL A 79 2.184 -5.626 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.506 -6.144 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.727 -7.334 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.048 -7.743 4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.249 -5.117 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.681 -6.690 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.506 -5.425 3.035 1.00 0.00 H new ATOM 1259 N SER A 80 0.379 -8.248 6.872 1.00 0.00 N ATOM 1260 CA SER A 80 0.180 -9.236 7.870 1.00 0.00 C ATOM 1261 C SER A 80 -1.101 -10.033 7.547 1.00 0.00 C ATOM 1262 O SER A 80 -1.526 -10.886 8.347 1.00 0.00 O ATOM 1263 CB SER A 80 0.110 -8.603 9.256 1.00 0.00 C ATOM 1264 OG SER A 80 1.294 -7.840 9.531 1.00 0.00 O ATOM 0 H SER A 80 -0.222 -7.427 6.943 1.00 0.00 H new ATOM 0 HA SER A 80 1.028 -9.921 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.766 -7.958 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.009 -9.381 10.010 1.00 0.00 H new ATOM 0 HG SER A 80 1.167 -6.917 9.226 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.719 -9.780 6.351 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.927 -10.479 5.990 1.00 0.00 C ATOM 1272 C GLN A 81 -2.492 -11.810 5.565 1.00 0.00 C ATOM 1273 O GLN A 81 -3.048 -12.827 5.995 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.673 -9.772 4.853 1.00 0.00 C ATOM 1275 CG GLN A 81 -5.069 -10.285 4.599 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.971 -10.060 5.783 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.096 -10.909 6.662 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -6.555 -8.909 5.851 1.00 0.00 N ATOM 0 H GLN A 81 -1.386 -9.109 5.658 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.622 -10.518 6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.728 -8.707 5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.091 -9.873 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.486 -9.786 3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.029 -11.350 4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.429 -8.228 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.142 -8.682 6.653 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.454 -11.811 4.736 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.791 -13.086 4.375 1.00 0.00 C ATOM 1289 C ASP A 82 0.562 -12.960 3.722 1.00 0.00 C ATOM 1290 O ASP A 82 1.551 -12.828 4.438 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.687 -14.219 3.767 1.00 0.00 C ATOM 1292 CG ASP A 82 -2.448 -13.837 2.536 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -1.845 -13.603 1.484 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -3.698 -13.778 2.607 1.00 0.00 O ATOM 0 H ASP A 82 -1.053 -10.978 4.306 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.580 -13.468 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.054 -15.075 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.397 -14.546 4.527 1.00 0.00 H new ATOM 1299 N ARG A 83 0.659 -12.964 2.405 1.00 0.00 N ATOM 1300 CA ARG A 83 1.988 -12.973 1.821 1.00 0.00 C ATOM 1301 C ARG A 83 2.560 -11.590 1.710 1.00 0.00 C ATOM 1302 O ARG A 83 1.875 -10.645 1.324 1.00 0.00 O ATOM 1303 CB ARG A 83 2.113 -13.794 0.528 1.00 0.00 C ATOM 1304 CG ARG A 83 1.991 -15.312 0.720 1.00 0.00 C ATOM 1305 CD ARG A 83 0.578 -15.736 1.073 1.00 0.00 C ATOM 1306 NE ARG A 83 0.449 -17.178 1.283 1.00 0.00 N ATOM 1307 CZ ARG A 83 -0.577 -17.908 0.835 1.00 0.00 C ATOM 1308 NH1 ARG A 83 -1.400 -17.409 -0.081 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -0.709 -19.167 1.217 1.00 0.00 N ATOM 0 H ARG A 83 -0.121 -12.961 1.748 1.00 0.00 H new ATOM 0 HA ARG A 83 2.613 -13.516 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.343 -13.466 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.076 -13.576 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.302 -15.818 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.672 -15.632 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.263 -15.213 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.098 -15.429 0.275 1.00 0.00 H new ATOM 0 HE ARG A 83 1.186 -17.655 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.249 -16.468 -0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.183 -17.967 -0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.028 -19.581 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.492 -19.724 0.875 1.00 0.00 H new ATOM 1323 N CYS A 84 3.814 -11.473 2.064 1.00 0.00 N ATOM 1324 CA CYS A 84 4.453 -10.204 2.204 1.00 0.00 C ATOM 1325 C CYS A 84 5.958 -10.307 1.957 1.00 0.00 C ATOM 1326 O CYS A 84 6.551 -11.365 2.200 1.00 0.00 O ATOM 1327 CB CYS A 84 4.210 -9.783 3.636 1.00 0.00 C ATOM 1328 SG CYS A 84 4.636 -11.065 4.851 1.00 0.00 S ATOM 0 H CYS A 84 4.420 -12.268 2.264 1.00 0.00 H new ATOM 0 HA CYS A 84 4.057 -9.491 1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.793 -8.886 3.847 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.160 -9.516 3.755 1.00 0.00 H new ATOM 0 HG CYS A 84 3.667 -11.928 4.929 1.00 0.00 H new ATOM 1334 N ALA A 85 6.569 -9.219 1.469 1.00 0.00 N ATOM 1335 CA ALA A 85 8.009 -9.150 1.291 1.00 0.00 C ATOM 1336 C ALA A 85 8.507 -7.723 1.149 1.00 0.00 C ATOM 1337 O ALA A 85 9.530 -7.374 1.730 1.00 0.00 O ATOM 1338 CB ALA A 85 8.501 -10.019 0.148 1.00 0.00 C ATOM 0 H ALA A 85 6.074 -8.371 1.191 1.00 0.00 H new ATOM 0 HA ALA A 85 8.438 -9.555 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.584 -9.928 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.239 -11.059 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.034 -9.695 -0.782 1.00 0.00 H new ATOM 1344 N GLU A 86 7.799 -6.876 0.411 1.00 0.00 N ATOM 1345 CA GLU A 86 8.302 -5.534 0.194 1.00 0.00 C ATOM 1346 C GLU A 86 7.166 -4.587 -0.074 1.00 0.00 C ATOM 1347 O GLU A 86 6.239 -4.929 -0.772 1.00 0.00 O ATOM 1348 CB GLU A 86 9.318 -5.519 -0.976 1.00 0.00 C ATOM 1349 CG GLU A 86 9.949 -4.158 -1.279 1.00 0.00 C ATOM 1350 CD GLU A 86 10.681 -3.568 -0.088 1.00 0.00 C ATOM 1351 OE1 GLU A 86 10.029 -3.099 0.855 1.00 0.00 O ATOM 1352 OE2 GLU A 86 11.937 -3.572 -0.076 1.00 0.00 O ATOM 0 H GLU A 86 6.905 -7.088 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 86 8.817 -5.205 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.115 -6.228 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.816 -5.876 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.645 -4.263 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.171 -3.466 -1.600 1.00 0.00 H new ATOM 1359 N VAL A 87 7.227 -3.431 0.509 1.00 0.00 N ATOM 1360 CA VAL A 87 6.256 -2.398 0.274 1.00 0.00 C ATOM 1361 C VAL A 87 7.018 -1.122 -0.001 1.00 0.00 C ATOM 1362 O VAL A 87 7.452 -0.452 0.940 1.00 0.00 O ATOM 1363 CB VAL A 87 5.330 -2.156 1.521 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.253 -1.098 1.244 1.00 0.00 C ATOM 1365 CG2 VAL A 87 4.691 -3.446 2.007 1.00 0.00 C ATOM 0 H VAL A 87 7.959 -3.171 1.170 1.00 0.00 H new ATOM 0 HA VAL A 87 5.621 -2.698 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 87 5.976 -1.776 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.637 -0.964 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.730 -0.152 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.626 -1.425 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.059 -3.236 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.085 -3.875 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.470 -4.153 2.291 1.00 0.00 H new ATOM 1375 N THR A 88 7.270 -0.800 -1.244 1.00 0.00 N ATOM 1376 CA THR A 88 7.913 0.433 -1.486 1.00 0.00 C ATOM 1377 C THR A 88 6.981 1.502 -1.858 1.00 0.00 C ATOM 1378 O THR A 88 6.125 1.387 -2.746 1.00 0.00 O ATOM 1379 CB THR A 88 9.173 0.427 -2.368 1.00 0.00 C ATOM 1380 OG1 THR A 88 9.109 -0.613 -3.365 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.440 0.299 -1.514 1.00 0.00 C ATOM 0 H THR A 88 7.044 -1.360 -2.066 1.00 0.00 H new ATOM 0 HA THR A 88 8.322 0.656 -0.500 1.00 0.00 H new ATOM 0 HB THR A 88 9.217 1.382 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.922 -0.592 -3.912 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.317 0.297 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.500 1.141 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.405 -0.632 -0.948 1.00 0.00 H new ATOM 1389 N LEU A 89 7.122 2.498 -1.125 1.00 0.00 N ATOM 1390 CA LEU A 89 6.428 3.678 -1.237 1.00 0.00 C ATOM 1391 C LEU A 89 7.032 4.414 -2.427 1.00 0.00 C ATOM 1392 O LEU A 89 8.175 4.119 -2.837 1.00 0.00 O ATOM 1393 CB LEU A 89 6.579 4.428 0.107 1.00 0.00 C ATOM 1394 CG LEU A 89 5.831 3.879 1.367 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.945 2.372 1.569 1.00 0.00 C ATOM 1396 CD2 LEU A 89 6.398 4.527 2.579 1.00 0.00 C ATOM 0 H LEU A 89 7.792 2.510 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 89 5.360 3.562 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.642 4.466 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.250 5.455 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 89 4.777 4.106 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.396 2.082 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.526 1.856 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.994 2.098 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.885 4.153 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.461 4.297 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.264 5.607 2.511 1.00 0.00 H new