USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot -73:sc= 0.836 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.729 USER MOD Single : A 28 HIS : no HD1:sc= -7.37! C(o=-7.4!,f=-8.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= -0.36 (180deg=-1.75!) USER MOD Single : A 42 MET CE :methyl -137:sc= -0.299 (180deg=-2.82!) USER MOD Single : A 43 MET CE :methyl -144:sc= -0.562 (180deg=-1.31) USER MOD Single : A 49 ASN : amide:sc= -2.73! C(o=-2.7!,f=-11!) USER MOD Single : A 51 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0811 K(o=-0.081,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.021 -17.440 15.699 1.00 0.00 N ATOM 177 CA VAL A 15 -0.027 -15.994 15.879 1.00 0.00 C ATOM 178 C VAL A 15 0.463 -15.281 14.623 1.00 0.00 C ATOM 179 O VAL A 15 1.423 -15.702 13.975 1.00 0.00 O ATOM 180 CB VAL A 15 0.851 -15.572 17.071 1.00 0.00 C ATOM 181 CG1 VAL A 15 0.881 -14.057 17.204 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.353 -16.219 18.355 1.00 0.00 C ATOM 0 HA VAL A 15 -1.059 -15.705 16.078 1.00 0.00 H new ATOM 0 HB VAL A 15 1.869 -15.916 16.889 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.507 -13.779 18.052 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.289 -13.620 16.293 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.131 -13.686 17.363 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.985 -15.910 19.187 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.674 -15.908 18.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.391 -17.304 18.254 1.00 0.00 H new ATOM 192 N PRO A 16 -0.209 -14.176 14.269 1.00 0.00 N ATOM 193 CA PRO A 16 0.143 -13.381 13.088 1.00 0.00 C ATOM 194 C PRO A 16 1.464 -12.641 13.259 1.00 0.00 C ATOM 195 O PRO A 16 2.095 -12.711 14.315 1.00 0.00 O ATOM 196 CB PRO A 16 -1.016 -12.386 12.974 1.00 0.00 C ATOM 197 CG PRO A 16 -1.551 -12.267 14.359 1.00 0.00 C ATOM 198 CD PRO A 16 -1.362 -13.617 14.994 1.00 0.00 C ATOM 0 HA PRO A 16 0.279 -14.003 12.203 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.674 -11.422 12.597 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.780 -12.745 12.284 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.020 -11.496 14.917 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.604 -11.985 14.348 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.163 -13.534 16.063 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.248 -14.241 14.882 1.00 0.00 H new ATOM 206 N VAL A 17 1.880 -11.931 12.215 1.00 0.00 N ATOM 207 CA VAL A 17 3.126 -11.176 12.251 1.00 0.00 C ATOM 208 C VAL A 17 2.978 -9.835 11.542 1.00 0.00 C ATOM 209 O VAL A 17 2.078 -9.649 10.722 1.00 0.00 O ATOM 210 CB VAL A 17 4.278 -11.964 11.599 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.787 -13.044 12.541 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.829 -12.566 10.276 1.00 0.00 C ATOM 0 H VAL A 17 1.372 -11.863 11.333 1.00 0.00 H new ATOM 0 HA VAL A 17 3.361 -11.004 13.301 1.00 0.00 H new ATOM 0 HB VAL A 17 5.099 -11.275 11.399 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.600 -13.590 12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.150 -12.584 13.460 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.976 -13.734 12.776 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.655 -13.119 9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.991 -13.242 10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.518 -11.769 9.600 1.00 0.00 H new ATOM 222 N THR A 18 3.868 -8.900 11.862 1.00 0.00 N ATOM 223 CA THR A 18 3.835 -7.575 11.257 1.00 0.00 C ATOM 224 C THR A 18 4.940 -7.418 10.218 1.00 0.00 C ATOM 225 O THR A 18 6.096 -7.757 10.472 1.00 0.00 O ATOM 226 CB THR A 18 3.984 -6.469 12.318 1.00 0.00 C ATOM 227 OG1 THR A 18 3.044 -6.677 13.378 1.00 0.00 O ATOM 228 CG2 THR A 18 3.766 -5.095 11.702 1.00 0.00 C ATOM 0 H THR A 18 4.620 -9.037 12.537 1.00 0.00 H new ATOM 0 HA THR A 18 2.865 -7.474 10.771 1.00 0.00 H new ATOM 0 HB THR A 18 4.997 -6.514 12.718 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.144 -6.446 13.067 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.876 -4.330 12.471 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.502 -4.928 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.763 -5.041 11.278 1.00 0.00 H new ATOM 236 N ILE A 19 4.576 -6.902 9.049 1.00 0.00 N ATOM 237 CA ILE A 19 5.538 -6.698 7.972 1.00 0.00 C ATOM 238 C ILE A 19 5.742 -5.213 7.691 1.00 0.00 C ATOM 239 O ILE A 19 5.136 -4.360 8.338 1.00 0.00 O ATOM 240 CB ILE A 19 5.087 -7.397 6.676 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.692 -6.918 6.270 1.00 0.00 C ATOM 242 CG2 ILE A 19 5.103 -8.908 6.856 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.392 -7.106 4.800 1.00 0.00 C ATOM 0 H ILE A 19 3.623 -6.618 8.823 1.00 0.00 H new ATOM 0 HA ILE A 19 6.480 -7.135 8.303 1.00 0.00 H new ATOM 0 HB ILE A 19 5.785 -7.138 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.947 -7.456 6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.592 -5.862 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.782 -9.388 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.113 -9.234 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.425 -9.185 7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.386 -6.744 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.114 -6.545 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.459 -8.164 4.547 1.00 0.00 H new ATOM 255 N GLU A 20 6.600 -4.913 6.720 1.00 0.00 N ATOM 256 CA GLU A 20 6.883 -3.531 6.353 1.00 0.00 C ATOM 257 C GLU A 20 6.623 -3.299 4.867 1.00 0.00 C ATOM 258 O GLU A 20 7.176 -3.992 4.012 1.00 0.00 O ATOM 259 CB GLU A 20 8.334 -3.178 6.690 1.00 0.00 C ATOM 260 CG GLU A 20 8.528 -2.699 8.118 1.00 0.00 C ATOM 261 CD GLU A 20 9.918 -2.146 8.365 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.518 -1.602 7.415 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.406 -2.258 9.509 1.00 0.00 O ATOM 0 H GLU A 20 7.110 -5.608 6.175 1.00 0.00 H new ATOM 0 HA GLU A 20 6.217 -2.885 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.961 -4.054 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.679 -2.403 6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.790 -1.929 8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.343 -3.527 8.803 1.00 0.00 H new ATOM 270 N VAL A 21 5.777 -2.318 4.568 1.00 0.00 N ATOM 271 CA VAL A 21 5.443 -1.992 3.185 1.00 0.00 C ATOM 272 C VAL A 21 5.922 -0.592 2.820 1.00 0.00 C ATOM 273 O VAL A 21 5.755 0.352 3.591 1.00 0.00 O ATOM 274 CB VAL A 21 3.927 -2.087 2.938 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.633 -2.175 1.448 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.339 -3.279 3.677 1.00 0.00 C ATOM 0 H VAL A 21 5.311 -1.736 5.263 1.00 0.00 H new ATOM 0 HA VAL A 21 5.952 -2.721 2.555 1.00 0.00 H new ATOM 0 HB VAL A 21 3.457 -1.182 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.556 -2.242 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.017 -1.286 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.115 -3.061 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.266 -3.330 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.812 -4.195 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.516 -3.167 4.747 1.00 0.00 H new ATOM 286 N GLU A 22 6.516 -0.465 1.638 1.00 0.00 N ATOM 287 CA GLU A 22 7.018 0.822 1.170 1.00 0.00 C ATOM 288 C GLU A 22 5.898 1.648 0.544 1.00 0.00 C ATOM 289 O GLU A 22 5.554 1.466 -0.624 1.00 0.00 O ATOM 290 CB GLU A 22 8.143 0.616 0.153 1.00 0.00 C ATOM 291 CG GLU A 22 9.500 0.366 0.790 1.00 0.00 C ATOM 292 CD GLU A 22 10.483 -0.281 -0.167 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.890 0.385 -1.141 1.00 0.00 O ATOM 294 OE2 GLU A 22 10.845 -1.454 0.060 1.00 0.00 O ATOM 0 H GLU A 22 6.661 -1.237 0.987 1.00 0.00 H new ATOM 0 HA GLU A 22 7.410 1.365 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.891 -0.228 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.208 1.495 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.911 1.312 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.375 -0.273 1.664 1.00 0.00 H new ATOM 301 N VAL A 23 5.332 2.558 1.332 1.00 0.00 N ATOM 302 CA VAL A 23 4.251 3.414 0.857 1.00 0.00 C ATOM 303 C VAL A 23 4.497 4.870 1.235 1.00 0.00 C ATOM 304 O VAL A 23 4.708 5.207 2.400 1.00 0.00 O ATOM 305 CB VAL A 23 2.891 2.969 1.427 1.00 0.00 C ATOM 306 CG1 VAL A 23 1.792 3.928 0.996 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.570 1.547 0.991 1.00 0.00 C ATOM 0 H VAL A 23 5.604 2.721 2.301 1.00 0.00 H new ATOM 0 HA VAL A 23 4.228 3.323 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 23 2.950 2.986 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.839 3.598 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.018 4.929 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.730 3.945 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.606 1.249 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.530 1.500 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.344 0.871 1.355 1.00 0.00 H new ATOM 317 N PRO A 24 4.469 5.755 0.228 1.00 0.00 N ATOM 318 CA PRO A 24 4.685 7.191 0.430 1.00 0.00 C ATOM 319 C PRO A 24 3.530 7.853 1.173 1.00 0.00 C ATOM 320 O PRO A 24 2.363 7.624 0.857 1.00 0.00 O ATOM 321 CB PRO A 24 4.786 7.739 -0.996 1.00 0.00 C ATOM 322 CG PRO A 24 4.025 6.768 -1.830 1.00 0.00 C ATOM 323 CD PRO A 24 4.223 5.423 -1.186 1.00 0.00 C ATOM 0 HA PRO A 24 5.566 7.388 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.360 8.740 -1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.824 7.811 -1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.968 7.031 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.390 6.766 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.345 4.788 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.064 4.887 -1.625 1.00 0.00 H new ATOM 331 N PHE A 25 3.864 8.674 2.164 1.00 0.00 N ATOM 332 CA PHE A 25 2.853 9.368 2.954 1.00 0.00 C ATOM 333 C PHE A 25 1.906 10.156 2.053 1.00 0.00 C ATOM 334 O PHE A 25 0.732 10.335 2.375 1.00 0.00 O ATOM 335 CB PHE A 25 3.520 10.308 3.960 1.00 0.00 C ATOM 336 CG PHE A 25 2.560 10.902 4.952 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.746 11.965 4.597 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.475 10.396 6.240 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.862 12.513 5.508 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.593 10.940 7.154 1.00 0.00 C ATOM 341 CZ PHE A 25 0.786 12.000 6.789 1.00 0.00 C ATOM 0 H PHE A 25 4.826 8.875 2.439 1.00 0.00 H new ATOM 0 HA PHE A 25 2.273 8.621 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.294 9.761 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.016 11.114 3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.802 12.370 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.104 9.568 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.232 13.341 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.535 10.536 8.154 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.097 12.427 7.503 1.00 0.00 H new ATOM 351 N ASP A 26 2.427 10.627 0.925 1.00 0.00 N ATOM 352 CA ASP A 26 1.630 11.396 -0.023 1.00 0.00 C ATOM 353 C ASP A 26 0.428 10.589 -0.503 1.00 0.00 C ATOM 354 O ASP A 26 -0.538 11.144 -1.028 1.00 0.00 O ATOM 355 CB ASP A 26 2.486 11.819 -1.218 1.00 0.00 C ATOM 356 CG ASP A 26 3.460 12.927 -0.869 1.00 0.00 C ATOM 357 OD1 ASP A 26 3.001 14.011 -0.452 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.681 12.710 -1.011 1.00 0.00 O ATOM 0 H ASP A 26 3.398 10.489 0.645 1.00 0.00 H new ATOM 0 HA ASP A 26 1.266 12.288 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.039 10.956 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.836 12.152 -2.027 1.00 0.00 H new ATOM 363 N LEU A 27 0.495 9.274 -0.322 1.00 0.00 N ATOM 364 CA LEU A 27 -0.588 8.389 -0.738 1.00 0.00 C ATOM 365 C LEU A 27 -1.485 8.034 0.444 1.00 0.00 C ATOM 366 O LEU A 27 -2.693 7.851 0.287 1.00 0.00 O ATOM 367 CB LEU A 27 -0.019 7.113 -1.362 1.00 0.00 C ATOM 368 CG LEU A 27 0.615 7.267 -2.745 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.192 5.943 -3.218 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.407 7.793 -3.743 1.00 0.00 C ATOM 0 H LEU A 27 1.287 8.798 0.110 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.188 8.914 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.730 6.704 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.821 6.378 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 27 1.429 7.989 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.639 6.072 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.954 5.607 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.397 5.199 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.061 7.897 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.241 7.095 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.773 8.765 -3.411 1.00 0.00 H new ATOM 382 N HIS A 28 -0.887 7.940 1.628 1.00 0.00 N ATOM 383 CA HIS A 28 -1.632 7.609 2.837 1.00 0.00 C ATOM 384 C HIS A 28 -2.989 8.308 2.847 1.00 0.00 C ATOM 385 O HIS A 28 -4.033 7.658 2.820 1.00 0.00 O ATOM 386 CB HIS A 28 -0.833 8.005 4.079 1.00 0.00 C ATOM 387 CG HIS A 28 0.433 7.223 4.250 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.086 7.103 5.458 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.165 6.517 3.357 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.166 6.359 5.301 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.237 5.990 4.034 1.00 0.00 N ATOM 0 H HIS A 28 0.111 8.088 1.775 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.797 6.532 2.849 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.590 9.066 4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.457 7.868 4.962 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.946 6.391 2.307 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.871 6.097 6.076 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.969 5.409 3.626 1.00 0.00 H new ATOM 399 N ARG A 29 -2.965 9.637 2.886 1.00 0.00 N ATOM 400 CA ARG A 29 -4.191 10.424 2.902 1.00 0.00 C ATOM 401 C ARG A 29 -5.232 9.828 1.957 1.00 0.00 C ATOM 402 O ARG A 29 -6.432 9.883 2.226 1.00 0.00 O ATOM 403 CB ARG A 29 -3.898 11.873 2.507 1.00 0.00 C ATOM 404 CG ARG A 29 -3.134 12.005 1.200 1.00 0.00 C ATOM 405 CD ARG A 29 -3.114 13.445 0.711 1.00 0.00 C ATOM 406 NE ARG A 29 -2.014 14.207 1.295 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.618 15.391 0.844 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.230 15.947 -0.193 1.00 0.00 N ATOM 409 NH2 ARG A 29 -0.608 16.022 1.429 1.00 0.00 N ATOM 0 H ARG A 29 -2.109 10.191 2.907 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.592 10.405 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.840 12.416 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.325 12.349 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.112 11.652 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.592 11.369 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.027 13.457 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.060 13.925 0.960 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.522 13.807 2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.007 15.465 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.924 16.857 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.135 15.597 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.305 16.932 1.081 1.00 0.00 H new ATOM 423 N TYR A 30 -4.762 9.262 0.851 1.00 0.00 N ATOM 424 CA TYR A 30 -5.650 8.659 -0.135 1.00 0.00 C ATOM 425 C TYR A 30 -5.995 7.223 0.247 1.00 0.00 C ATOM 426 O TYR A 30 -7.128 6.775 0.069 1.00 0.00 O ATOM 427 CB TYR A 30 -5.003 8.688 -1.521 1.00 0.00 C ATOM 428 CG TYR A 30 -4.618 10.076 -1.980 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.475 11.154 -1.797 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.394 10.309 -2.595 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.126 12.423 -2.215 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.035 11.575 -3.015 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.905 12.629 -2.824 1.00 0.00 C ATOM 434 OH TYR A 30 -3.553 13.892 -3.240 1.00 0.00 O ATOM 0 H TYR A 30 -3.771 9.208 0.615 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.572 9.241 -0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.114 8.058 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.693 8.254 -2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.431 10.997 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.711 9.486 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.805 13.250 -2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.079 11.739 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.662 13.866 -3.648 1.00 0.00 H new ATOM 444 N VAL A 31 -5.008 6.505 0.777 1.00 0.00 N ATOM 445 CA VAL A 31 -5.205 5.120 1.187 1.00 0.00 C ATOM 446 C VAL A 31 -6.198 5.025 2.339 1.00 0.00 C ATOM 447 O VAL A 31 -7.186 4.292 2.263 1.00 0.00 O ATOM 448 CB VAL A 31 -3.877 4.467 1.612 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.110 3.037 2.075 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.874 4.509 0.470 1.00 0.00 C ATOM 0 H VAL A 31 -4.065 6.860 0.932 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.603 4.587 0.324 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.465 5.032 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.161 2.591 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.792 3.036 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.544 2.457 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.941 4.043 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.276 3.969 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.685 5.545 0.190 1.00 0.00 H new ATOM 460 N ILE A 32 -5.931 5.770 3.407 1.00 0.00 N ATOM 461 CA ILE A 32 -6.802 5.770 4.575 1.00 0.00 C ATOM 462 C ILE A 32 -8.238 6.110 4.190 1.00 0.00 C ATOM 463 O ILE A 32 -9.170 5.382 4.526 1.00 0.00 O ATOM 464 CB ILE A 32 -6.317 6.772 5.639 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.877 6.456 6.050 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.237 6.745 6.851 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.135 7.646 6.614 1.00 0.00 C ATOM 0 H ILE A 32 -5.118 6.381 3.487 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.769 4.764 4.993 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.342 7.774 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.887 5.659 6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.335 6.078 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.881 7.459 7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.249 7.013 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.241 5.744 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.122 7.348 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.094 8.437 5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.654 8.012 7.500 1.00 0.00 H new ATOM 550 N ILE A 39 -9.160 1.523 3.476 1.00 0.00 N ATOM 551 CA ILE A 39 -8.364 0.491 4.129 1.00 0.00 C ATOM 552 C ILE A 39 -9.252 -0.599 4.719 1.00 0.00 C ATOM 553 O ILE A 39 -8.973 -1.789 4.572 1.00 0.00 O ATOM 554 CB ILE A 39 -7.485 1.082 5.248 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.466 2.061 4.661 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.781 -0.030 6.011 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.546 2.669 5.697 1.00 0.00 C ATOM 0 HA ILE A 39 -7.721 0.057 3.363 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.124 1.625 5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.866 1.543 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.998 2.860 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.164 0.403 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.523 -0.693 6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.151 -0.598 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.851 3.352 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.137 3.216 6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.987 1.878 6.196 1.00 0.00 H new ATOM 569 N ARG A 40 -10.325 -0.184 5.386 1.00 0.00 N ATOM 570 CA ARG A 40 -11.256 -1.125 5.997 1.00 0.00 C ATOM 571 C ARG A 40 -11.567 -2.277 5.047 1.00 0.00 C ATOM 572 O ARG A 40 -11.583 -3.441 5.449 1.00 0.00 O ATOM 573 CB ARG A 40 -12.550 -0.411 6.391 1.00 0.00 C ATOM 574 CG ARG A 40 -13.398 -1.192 7.382 1.00 0.00 C ATOM 575 CD ARG A 40 -14.514 -0.333 7.957 1.00 0.00 C ATOM 576 NE ARG A 40 -15.276 -1.041 8.982 1.00 0.00 N ATOM 577 CZ ARG A 40 -14.849 -1.213 10.229 1.00 0.00 C ATOM 578 NH1 ARG A 40 -13.674 -0.728 10.603 1.00 0.00 N ATOM 579 NH2 ARG A 40 -15.601 -1.868 11.104 1.00 0.00 N ATOM 0 H ARG A 40 -10.571 0.797 5.517 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.786 -1.532 6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.303 0.559 6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.138 -0.221 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.826 -2.064 6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.767 -1.561 8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.089 0.575 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.184 -0.025 7.155 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.186 -1.425 8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.095 -0.221 9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.349 -0.861 11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.507 -2.240 10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.273 -2.000 12.061 1.00 0.00 H new ATOM 593 N LYS A 41 -11.813 -1.946 3.783 1.00 0.00 N ATOM 594 CA LYS A 41 -12.123 -2.951 2.774 1.00 0.00 C ATOM 595 C LYS A 41 -11.128 -4.105 2.832 1.00 0.00 C ATOM 596 O LYS A 41 -11.516 -5.273 2.854 1.00 0.00 O ATOM 597 CB LYS A 41 -12.113 -2.324 1.379 1.00 0.00 C ATOM 598 CG LYS A 41 -12.310 -3.330 0.258 1.00 0.00 C ATOM 599 CD LYS A 41 -12.169 -2.678 -1.108 1.00 0.00 C ATOM 600 CE LYS A 41 -10.719 -2.644 -1.562 1.00 0.00 C ATOM 601 NZ LYS A 41 -9.981 -1.489 -0.981 1.00 0.00 N ATOM 0 H LYS A 41 -11.803 -0.988 3.434 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.119 -3.342 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.899 -1.571 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.165 -1.807 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.579 -4.133 0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.297 -3.785 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.767 -3.225 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.563 -1.663 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.226 -3.572 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.681 -2.589 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.277 -1.146 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.651 -0.724 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.499 -1.788 -0.110 1.00 0.00 H new ATOM 615 N MET A 42 -9.841 -3.770 2.857 1.00 0.00 N ATOM 616 CA MET A 42 -8.790 -4.779 2.916 1.00 0.00 C ATOM 617 C MET A 42 -8.817 -5.516 4.251 1.00 0.00 C ATOM 618 O MET A 42 -9.017 -6.730 4.296 1.00 0.00 O ATOM 619 CB MET A 42 -7.420 -4.131 2.705 1.00 0.00 C ATOM 620 CG MET A 42 -7.266 -3.462 1.350 1.00 0.00 C ATOM 621 SD MET A 42 -6.041 -2.139 1.363 1.00 0.00 S ATOM 622 CE MET A 42 -4.522 -3.085 1.428 1.00 0.00 C ATOM 0 H MET A 42 -9.502 -2.808 2.837 1.00 0.00 H new ATOM 0 HA MET A 42 -8.969 -5.501 2.120 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.253 -3.391 3.487 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.647 -4.891 2.815 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.979 -4.210 0.611 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.229 -3.057 1.038 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.838 -2.626 2.142 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.742 -4.106 1.741 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.060 -3.100 0.441 1.00 0.00 H new ATOM 632 N MET A 43 -8.615 -4.775 5.335 1.00 0.00 N ATOM 633 CA MET A 43 -8.618 -5.360 6.671 1.00 0.00 C ATOM 634 C MET A 43 -9.804 -6.301 6.850 1.00 0.00 C ATOM 635 O MET A 43 -9.704 -7.316 7.539 1.00 0.00 O ATOM 636 CB MET A 43 -8.659 -4.258 7.732 1.00 0.00 C ATOM 637 CG MET A 43 -7.377 -3.446 7.816 1.00 0.00 C ATOM 638 SD MET A 43 -7.302 -2.418 9.295 1.00 0.00 S ATOM 639 CE MET A 43 -8.717 -1.351 9.039 1.00 0.00 C ATOM 0 H MET A 43 -8.447 -3.769 5.315 1.00 0.00 H new ATOM 0 HA MET A 43 -7.701 -5.936 6.791 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.490 -3.587 7.515 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.858 -4.709 8.704 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.522 -4.122 7.804 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.294 -2.812 6.933 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.492 -0.352 9.412 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.945 -1.298 7.974 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.577 -1.753 9.575 1.00 0.00 H new ATOM 649 N ASP A 44 -10.927 -5.956 6.228 1.00 0.00 N ATOM 650 CA ASP A 44 -12.132 -6.771 6.319 1.00 0.00 C ATOM 651 C ASP A 44 -12.112 -7.889 5.280 1.00 0.00 C ATOM 652 O ASP A 44 -12.619 -8.983 5.523 1.00 0.00 O ATOM 653 CB ASP A 44 -13.377 -5.901 6.126 1.00 0.00 C ATOM 654 CG ASP A 44 -13.763 -5.158 7.390 1.00 0.00 C ATOM 655 OD1 ASP A 44 -12.852 -4.723 8.124 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.977 -5.011 7.644 1.00 0.00 O ATOM 0 H ASP A 44 -11.027 -5.118 5.656 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.162 -7.222 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.195 -5.183 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.210 -6.528 5.808 1.00 0.00 H new ATOM 661 N GLU A 45 -11.524 -7.603 4.122 1.00 0.00 N ATOM 662 CA GLU A 45 -11.441 -8.585 3.047 1.00 0.00 C ATOM 663 C GLU A 45 -10.386 -9.644 3.357 1.00 0.00 C ATOM 664 O GLU A 45 -10.700 -10.825 3.497 1.00 0.00 O ATOM 665 CB GLU A 45 -11.113 -7.895 1.721 1.00 0.00 C ATOM 666 CG GLU A 45 -10.866 -8.862 0.577 1.00 0.00 C ATOM 667 CD GLU A 45 -12.130 -9.560 0.118 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.946 -9.940 0.984 1.00 0.00 O ATOM 669 OE2 GLU A 45 -12.306 -9.726 -1.107 1.00 0.00 O ATOM 0 H GLU A 45 -11.099 -6.701 3.905 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.410 -9.077 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.935 -7.231 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.230 -7.270 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.429 -8.321 -0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.136 -9.609 0.889 1.00 0.00 H new ATOM 676 N PHE A 46 -9.135 -9.209 3.462 1.00 0.00 N ATOM 677 CA PHE A 46 -8.032 -10.118 3.753 1.00 0.00 C ATOM 678 C PHE A 46 -8.029 -10.515 5.226 1.00 0.00 C ATOM 679 O PHE A 46 -7.275 -11.394 5.641 1.00 0.00 O ATOM 680 CB PHE A 46 -6.696 -9.468 3.386 1.00 0.00 C ATOM 681 CG PHE A 46 -6.529 -9.237 1.911 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.216 -10.286 1.063 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.682 -7.968 1.374 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.061 -10.076 -0.295 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.529 -7.752 0.018 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.217 -8.807 -0.818 1.00 0.00 C ATOM 0 H PHE A 46 -8.859 -8.233 3.350 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.168 -11.017 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.609 -8.515 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.883 -10.101 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.091 -11.280 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.923 -7.139 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.818 -10.903 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.653 -6.759 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.095 -8.640 -1.878 1.00 0.00 H new ATOM 696 N GLU A 47 -8.878 -9.859 6.012 1.00 0.00 N ATOM 697 CA GLU A 47 -8.972 -10.142 7.439 1.00 0.00 C ATOM 698 C GLU A 47 -7.645 -9.861 8.138 1.00 0.00 C ATOM 699 O GLU A 47 -7.161 -10.675 8.925 1.00 0.00 O ATOM 700 CB GLU A 47 -9.384 -11.597 7.667 1.00 0.00 C ATOM 701 CG GLU A 47 -10.765 -11.930 7.130 1.00 0.00 C ATOM 702 CD GLU A 47 -11.100 -13.404 7.253 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.216 -14.239 6.968 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.245 -13.723 7.633 1.00 0.00 O ATOM 0 H GLU A 47 -9.510 -9.128 5.684 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.732 -9.487 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.652 -12.251 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.358 -11.810 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.511 -11.346 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.824 -11.634 6.083 1.00 0.00 H new ATOM 711 N VAL A 48 -7.060 -8.705 7.844 1.00 0.00 N ATOM 712 CA VAL A 48 -5.789 -8.316 8.443 1.00 0.00 C ATOM 713 C VAL A 48 -5.892 -6.950 9.113 1.00 0.00 C ATOM 714 O VAL A 48 -6.969 -6.357 9.174 1.00 0.00 O ATOM 715 CB VAL A 48 -4.662 -8.276 7.394 1.00 0.00 C ATOM 716 CG1 VAL A 48 -3.990 -9.636 7.281 1.00 0.00 C ATOM 717 CG2 VAL A 48 -5.206 -7.828 6.046 1.00 0.00 C ATOM 0 H VAL A 48 -7.446 -8.021 7.194 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.550 -9.069 9.194 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.913 -7.553 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.196 -9.589 6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.565 -9.913 8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.726 -10.382 6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.397 -7.805 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.975 -8.526 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.637 -6.831 6.141 1.00 0.00 H new ATOM 727 N ASN A 49 -4.765 -6.456 9.615 1.00 0.00 N ATOM 728 CA ASN A 49 -4.729 -5.160 10.282 1.00 0.00 C ATOM 729 C ASN A 49 -3.578 -4.310 9.754 1.00 0.00 C ATOM 730 O ASN A 49 -2.409 -4.661 9.913 1.00 0.00 O ATOM 731 CB ASN A 49 -4.589 -5.344 11.794 1.00 0.00 C ATOM 732 CG ASN A 49 -5.715 -6.173 12.382 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.385 -6.924 11.673 1.00 0.00 O ATOM 734 ND2 ASN A 49 -5.929 -6.039 13.686 1.00 0.00 N ATOM 0 H ASN A 49 -3.865 -6.934 9.572 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.666 -4.645 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.635 -5.825 12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.571 -4.367 12.276 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.673 -6.570 14.138 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.349 -5.405 14.235 1.00 0.00 H new ATOM 741 N ILE A 50 -3.918 -3.189 9.126 1.00 0.00 N ATOM 742 CA ILE A 50 -2.913 -2.287 8.576 1.00 0.00 C ATOM 743 C ILE A 50 -2.757 -1.043 9.443 1.00 0.00 C ATOM 744 O ILE A 50 -3.741 -0.389 9.792 1.00 0.00 O ATOM 745 CB ILE A 50 -3.268 -1.857 7.141 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.453 -3.085 6.247 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.188 -0.944 6.578 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.021 -2.761 4.883 1.00 0.00 C ATOM 0 H ILE A 50 -4.881 -2.884 8.985 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.972 -2.836 8.560 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.207 -1.304 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.491 -3.581 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.114 -3.792 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.454 -0.649 5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.101 -0.055 7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.235 -1.473 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.125 -3.679 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.998 -2.292 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.350 -2.078 4.362 1.00 0.00 H new ATOM 760 N HIS A 51 -1.515 -0.720 9.788 1.00 0.00 N ATOM 761 CA HIS A 51 -1.230 0.448 10.613 1.00 0.00 C ATOM 762 C HIS A 51 -0.367 1.452 9.855 1.00 0.00 C ATOM 763 O HIS A 51 0.694 1.107 9.334 1.00 0.00 O ATOM 764 CB HIS A 51 -0.526 0.027 11.904 1.00 0.00 C ATOM 765 CG HIS A 51 -1.468 -0.278 13.028 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.117 -0.162 14.356 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.756 -0.693 13.016 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.147 -0.495 15.112 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.155 -0.821 14.323 1.00 0.00 N ATOM 0 H HIS A 51 -0.690 -1.251 9.509 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.178 0.925 10.862 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.085 -0.853 11.704 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.152 0.822 12.215 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.358 -0.887 12.141 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.163 -0.500 16.192 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.079 -1.119 14.634 1.00 0.00 H new ATOM 777 N VAL A 52 -0.830 2.697 9.795 1.00 0.00 N ATOM 778 CA VAL A 52 -0.101 3.751 9.100 1.00 0.00 C ATOM 779 C VAL A 52 0.531 4.724 10.088 1.00 0.00 C ATOM 780 O VAL A 52 -0.069 5.105 11.094 1.00 0.00 O ATOM 781 CB VAL A 52 -1.021 4.532 8.143 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.264 5.681 7.493 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.605 3.603 7.089 1.00 0.00 C ATOM 0 H VAL A 52 -1.707 3.000 10.219 1.00 0.00 H new ATOM 0 HA VAL A 52 0.684 3.265 8.521 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.845 4.952 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.930 6.221 6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.101 6.359 8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.581 5.287 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.252 4.172 6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.797 3.152 6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.185 2.819 7.576 1.00 0.00 H new ATOM 793 N PRO A 53 1.773 5.141 9.797 1.00 0.00 N ATOM 794 CA PRO A 53 2.514 6.078 10.646 1.00 0.00 C ATOM 795 C PRO A 53 1.927 7.485 10.606 1.00 0.00 C ATOM 796 O PRO A 53 1.645 8.020 9.534 1.00 0.00 O ATOM 797 CB PRO A 53 3.920 6.067 10.043 1.00 0.00 C ATOM 798 CG PRO A 53 3.719 5.672 8.620 1.00 0.00 C ATOM 799 CD PRO A 53 2.547 4.729 8.614 1.00 0.00 C ATOM 0 HA PRO A 53 2.484 5.788 11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.391 7.047 10.119 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.568 5.361 10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.521 6.544 7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.610 5.189 8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.962 4.821 7.699 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.867 3.689 8.685 1.00 0.00 H new ATOM 807 N ALA A 54 1.747 8.079 11.781 1.00 0.00 N ATOM 808 CA ALA A 54 1.196 9.425 11.880 1.00 0.00 C ATOM 809 C ALA A 54 2.014 10.414 11.056 1.00 0.00 C ATOM 810 O ALA A 54 3.111 10.110 10.587 1.00 0.00 O ATOM 811 CB ALA A 54 1.139 9.866 13.335 1.00 0.00 C ATOM 0 H ALA A 54 1.975 7.649 12.678 1.00 0.00 H new ATOM 0 HA ALA A 54 0.183 9.408 11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.726 10.873 13.394 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.506 9.180 13.899 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.144 9.861 13.756 1.00 0.00 H new ATOM 817 N PRO A 55 1.470 11.627 10.876 1.00 0.00 N ATOM 818 CA PRO A 55 2.132 12.685 10.107 1.00 0.00 C ATOM 819 C PRO A 55 3.362 13.236 10.822 1.00 0.00 C ATOM 820 O PRO A 55 4.297 13.719 10.184 1.00 0.00 O ATOM 821 CB PRO A 55 1.055 13.766 9.989 1.00 0.00 C ATOM 822 CG PRO A 55 0.164 13.541 11.161 1.00 0.00 C ATOM 823 CD PRO A 55 0.165 12.058 11.407 1.00 0.00 C ATOM 0 HA PRO A 55 2.498 12.322 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.492 14.764 10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.506 13.678 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.527 14.081 12.036 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.844 13.902 10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.066 11.826 12.467 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.661 11.565 10.894 1.00 0.00 H new ATOM 831 N GLU A 56 3.355 13.159 12.149 1.00 0.00 N ATOM 832 CA GLU A 56 4.470 13.651 12.949 1.00 0.00 C ATOM 833 C GLU A 56 5.701 12.767 12.768 1.00 0.00 C ATOM 834 O GLU A 56 6.833 13.253 12.756 1.00 0.00 O ATOM 835 CB GLU A 56 4.080 13.707 14.427 1.00 0.00 C ATOM 836 CG GLU A 56 3.740 12.350 15.019 1.00 0.00 C ATOM 837 CD GLU A 56 3.729 12.361 16.535 1.00 0.00 C ATOM 838 OE1 GLU A 56 4.797 12.607 17.133 1.00 0.00 O ATOM 839 OE2 GLU A 56 2.654 12.121 17.123 1.00 0.00 O ATOM 0 H GLU A 56 2.589 12.761 12.693 1.00 0.00 H new ATOM 0 HA GLU A 56 4.714 14.657 12.607 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.901 14.146 14.994 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.222 14.370 14.543 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.763 12.033 14.655 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.464 11.614 14.670 1.00 0.00 H new ATOM 846 N LEU A 57 5.471 11.466 12.627 1.00 0.00 N ATOM 847 CA LEU A 57 6.560 10.512 12.448 1.00 0.00 C ATOM 848 C LEU A 57 7.246 10.716 11.102 1.00 0.00 C ATOM 849 O LEU A 57 8.405 10.343 10.922 1.00 0.00 O ATOM 850 CB LEU A 57 6.032 9.080 12.553 1.00 0.00 C ATOM 851 CG LEU A 57 5.446 8.678 13.906 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.787 7.310 13.818 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.527 8.682 14.978 1.00 0.00 C ATOM 0 H LEU A 57 4.541 11.048 12.633 1.00 0.00 H new ATOM 0 HA LEU A 57 7.292 10.681 13.237 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.265 8.940 11.791 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.846 8.396 12.315 1.00 0.00 H new ATOM 0 HG LEU A 57 4.685 9.408 14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.376 7.041 14.791 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.985 7.339 13.080 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.527 6.568 13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.092 8.393 15.935 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.310 7.974 14.707 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.954 9.681 15.060 1.00 0.00 H new ATOM 865 N GLN A 58 6.522 11.312 10.159 1.00 0.00 N ATOM 866 CA GLN A 58 7.063 11.567 8.829 1.00 0.00 C ATOM 867 C GLN A 58 7.714 10.312 8.257 1.00 0.00 C ATOM 868 O GLN A 58 8.854 10.348 7.794 1.00 0.00 O ATOM 869 CB GLN A 58 8.082 12.706 8.879 1.00 0.00 C ATOM 870 CG GLN A 58 7.449 14.084 8.985 1.00 0.00 C ATOM 871 CD GLN A 58 8.422 15.201 8.661 1.00 0.00 C ATOM 872 OE1 GLN A 58 8.443 15.717 7.543 1.00 0.00 O ATOM 873 NE2 GLN A 58 9.235 15.579 9.640 1.00 0.00 N ATOM 0 H GLN A 58 5.561 11.627 10.291 1.00 0.00 H new ATOM 0 HA GLN A 58 6.238 11.856 8.178 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.744 12.553 9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.702 12.668 7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.597 14.141 8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.063 14.225 9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.183 15.123 10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.912 16.325 9.481 1.00 0.00 H new ATOM 882 N SER A 59 6.982 9.203 8.290 1.00 0.00 N ATOM 883 CA SER A 59 7.490 7.936 7.779 1.00 0.00 C ATOM 884 C SER A 59 6.692 7.484 6.559 1.00 0.00 C ATOM 885 O SER A 59 5.525 7.841 6.399 1.00 0.00 O ATOM 886 CB SER A 59 7.431 6.862 8.866 1.00 0.00 C ATOM 887 OG SER A 59 8.447 5.891 8.680 1.00 0.00 O ATOM 0 H SER A 59 6.035 9.157 8.666 1.00 0.00 H new ATOM 0 HA SER A 59 8.528 8.083 7.480 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.542 7.326 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.454 6.378 8.851 1.00 0.00 H new ATOM 0 HG SER A 59 8.389 5.217 9.389 1.00 0.00 H new ATOM 893 N ASP A 60 7.331 6.696 5.701 1.00 0.00 N ATOM 894 CA ASP A 60 6.683 6.193 4.495 1.00 0.00 C ATOM 895 C ASP A 60 6.625 4.669 4.505 1.00 0.00 C ATOM 896 O ASP A 60 6.516 4.036 3.455 1.00 0.00 O ATOM 897 CB ASP A 60 7.425 6.680 3.250 1.00 0.00 C ATOM 898 CG ASP A 60 7.644 8.180 3.255 1.00 0.00 C ATOM 899 OD1 ASP A 60 6.711 8.913 3.644 1.00 0.00 O ATOM 900 OD2 ASP A 60 8.747 8.621 2.870 1.00 0.00 O ATOM 0 H ASP A 60 8.297 6.392 5.818 1.00 0.00 H new ATOM 0 HA ASP A 60 5.663 6.577 4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.389 6.175 3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.859 6.402 2.361 1.00 0.00 H new ATOM 905 N ILE A 61 6.699 4.087 5.697 1.00 0.00 N ATOM 906 CA ILE A 61 6.655 2.637 5.843 1.00 0.00 C ATOM 907 C ILE A 61 5.412 2.199 6.610 1.00 0.00 C ATOM 908 O ILE A 61 5.237 2.545 7.777 1.00 0.00 O ATOM 909 CB ILE A 61 7.905 2.106 6.569 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.163 2.798 6.038 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.014 0.597 6.401 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.522 2.398 4.625 1.00 0.00 C ATOM 0 H ILE A 61 6.790 4.597 6.576 1.00 0.00 H new ATOM 0 HA ILE A 61 6.624 2.220 4.837 1.00 0.00 H new ATOM 0 HB ILE A 61 7.811 2.329 7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.017 3.878 6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.000 2.567 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.902 0.236 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.129 0.119 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.089 0.353 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.423 2.927 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.700 1.323 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.702 2.655 3.955 1.00 0.00 H new ATOM 924 N ILE A 62 4.553 1.434 5.944 1.00 0.00 N ATOM 925 CA ILE A 62 3.327 0.946 6.563 1.00 0.00 C ATOM 926 C ILE A 62 3.522 -0.451 7.143 1.00 0.00 C ATOM 927 O ILE A 62 4.117 -1.320 6.507 1.00 0.00 O ATOM 928 CB ILE A 62 2.162 0.914 5.557 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.686 2.334 5.247 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.016 0.073 6.101 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.578 2.390 4.220 1.00 0.00 C ATOM 0 H ILE A 62 4.684 1.139 4.976 1.00 0.00 H new ATOM 0 HA ILE A 62 3.082 1.640 7.367 1.00 0.00 H new ATOM 0 HB ILE A 62 2.514 0.459 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.340 2.802 6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.531 2.922 4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.200 0.060 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.363 -0.946 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.664 0.502 7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.291 3.428 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.927 1.952 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.284 1.830 4.584 1.00 0.00 H new ATOM 943 N ALA A 63 3.016 -0.659 8.355 1.00 0.00 N ATOM 944 CA ALA A 63 3.131 -1.950 9.019 1.00 0.00 C ATOM 945 C ALA A 63 1.828 -2.737 8.920 1.00 0.00 C ATOM 946 O ALA A 63 0.777 -2.272 9.359 1.00 0.00 O ATOM 947 CB ALA A 63 3.526 -1.762 10.477 1.00 0.00 C ATOM 0 H ALA A 63 2.523 0.051 8.896 1.00 0.00 H new ATOM 0 HA ALA A 63 3.910 -2.521 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.608 -2.736 10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.486 -1.248 10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.767 -1.167 10.986 1.00 0.00 H new ATOM 953 N ILE A 64 1.906 -3.931 8.340 1.00 0.00 N ATOM 954 CA ILE A 64 0.732 -4.781 8.185 1.00 0.00 C ATOM 955 C ILE A 64 0.849 -6.041 9.036 1.00 0.00 C ATOM 956 O ILE A 64 1.808 -6.804 8.909 1.00 0.00 O ATOM 957 CB ILE A 64 0.523 -5.187 6.714 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.507 -3.947 5.818 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.770 -5.975 6.561 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.335 -4.266 4.349 1.00 0.00 C ATOM 0 H ILE A 64 2.769 -4.331 7.970 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.126 -4.198 8.519 1.00 0.00 H new ATOM 0 HB ILE A 64 1.352 -5.824 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.302 -3.289 6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.438 -3.397 5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.904 -6.255 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.723 -6.875 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.611 -5.360 6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.333 -3.340 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.157 -4.899 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.609 -4.789 4.198 1.00 0.00 H new ATOM 972 N THR A 65 -0.134 -6.254 9.906 1.00 0.00 N ATOM 973 CA THR A 65 -0.142 -7.421 10.779 1.00 0.00 C ATOM 974 C THR A 65 -1.061 -8.509 10.234 1.00 0.00 C ATOM 975 O THR A 65 -2.127 -8.220 9.691 1.00 0.00 O ATOM 976 CB THR A 65 -0.591 -7.053 12.205 1.00 0.00 C ATOM 977 OG1 THR A 65 0.303 -6.086 12.765 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.634 -8.287 13.094 1.00 0.00 C ATOM 0 H THR A 65 -0.935 -5.633 10.024 1.00 0.00 H new ATOM 0 HA THR A 65 0.881 -7.796 10.814 1.00 0.00 H new ATOM 0 HB THR A 65 -1.594 -6.630 12.149 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.010 -5.856 13.671 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.954 -8.002 14.096 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.338 -9.009 12.680 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.359 -8.735 13.143 1.00 0.00 H new ATOM 986 N GLY A 66 -0.641 -9.762 10.383 1.00 0.00 N ATOM 987 CA GLY A 66 -1.440 -10.874 9.900 1.00 0.00 C ATOM 988 C GLY A 66 -0.611 -12.120 9.657 1.00 0.00 C ATOM 989 O GLY A 66 0.617 -12.082 9.732 1.00 0.00 O ATOM 0 H GLY A 66 0.237 -10.027 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.222 -11.097 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.937 -10.585 8.974 1.00 0.00 H new ATOM 993 N LEU A 67 -1.284 -13.227 9.365 1.00 0.00 N ATOM 994 CA LEU A 67 -0.602 -14.491 9.111 1.00 0.00 C ATOM 995 C LEU A 67 0.203 -14.425 7.818 1.00 0.00 C ATOM 996 O LEU A 67 -0.235 -13.834 6.830 1.00 0.00 O ATOM 997 CB LEU A 67 -1.616 -15.634 9.035 1.00 0.00 C ATOM 998 CG LEU A 67 -2.261 -16.047 10.359 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.316 -17.119 10.127 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.204 -16.539 11.337 1.00 0.00 C ATOM 0 H LEU A 67 -2.301 -13.275 9.298 1.00 0.00 H new ATOM 0 HA LEU A 67 0.085 -14.677 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.407 -15.346 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.120 -16.506 8.608 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.749 -15.174 10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.764 -17.401 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.089 -16.731 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.852 -17.994 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.681 -16.828 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.687 -17.399 10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.485 -15.742 11.527 1.00 0.00 H new ATOM 1012 N ALA A 68 1.383 -15.037 7.829 1.00 0.00 N ATOM 1013 CA ALA A 68 2.248 -15.051 6.655 1.00 0.00 C ATOM 1014 C ALA A 68 1.432 -15.186 5.373 1.00 0.00 C ATOM 1015 O ALA A 68 1.716 -14.527 4.374 1.00 0.00 O ATOM 1016 CB ALA A 68 3.261 -16.181 6.760 1.00 0.00 C ATOM 0 H ALA A 68 1.762 -15.530 8.638 1.00 0.00 H new ATOM 0 HA ALA A 68 2.782 -14.102 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.900 -16.180 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.873 -16.040 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.737 -17.134 6.827 1.00 0.00 H new ATOM 1022 N ALA A 69 0.419 -16.045 5.410 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.438 -16.265 4.252 1.00 0.00 C ATOM 1024 C ALA A 69 -1.204 -14.998 3.887 1.00 0.00 C ATOM 1025 O ALA A 69 -1.138 -14.526 2.753 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.405 -17.409 4.521 1.00 0.00 C ATOM 0 H ALA A 69 0.172 -16.600 6.229 1.00 0.00 H new ATOM 0 HA ALA A 69 0.197 -16.531 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.039 -17.562 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.843 -18.320 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.027 -17.165 5.382 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.931 -14.451 4.857 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.711 -13.238 4.636 1.00 0.00 C ATOM 1034 C ASN A 70 -1.809 -12.079 4.226 1.00 0.00 C ATOM 1035 O ASN A 70 -2.043 -11.425 3.208 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.489 -12.871 5.901 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.362 -14.009 6.395 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.584 -14.990 5.683 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.861 -13.884 7.619 1.00 0.00 N ATOM 0 H ASN A 70 -1.996 -14.828 5.802 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.415 -13.430 3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.788 -12.588 6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.112 -11.999 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.455 -14.618 8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.651 -13.054 8.173 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.777 -11.829 5.024 1.00 0.00 N ATOM 1047 CA LEU A 71 0.162 -10.748 4.744 1.00 0.00 C ATOM 1048 C LEU A 71 0.506 -10.696 3.258 1.00 0.00 C ATOM 1049 O LEU A 71 0.545 -9.622 2.657 1.00 0.00 O ATOM 1050 CB LEU A 71 1.438 -10.928 5.568 1.00 0.00 C ATOM 1051 CG LEU A 71 1.250 -11.038 7.082 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.518 -11.557 7.742 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.854 -9.691 7.669 1.00 0.00 C ATOM 0 H LEU A 71 -0.569 -12.360 5.870 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.313 -9.807 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.948 -11.826 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.100 -10.086 5.364 1.00 0.00 H new ATOM 0 HG LEU A 71 0.447 -11.748 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.365 -11.628 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.758 -12.543 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.341 -10.872 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.724 -9.788 8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.635 -8.960 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.082 -9.359 7.219 1.00 0.00 H new ATOM 1065 N ASP A 72 0.752 -11.862 2.673 1.00 0.00 N ATOM 1066 CA ASP A 72 1.090 -11.951 1.257 1.00 0.00 C ATOM 1067 C ASP A 72 -0.024 -11.364 0.396 1.00 0.00 C ATOM 1068 O ASP A 72 0.210 -10.466 -0.414 1.00 0.00 O ATOM 1069 CB ASP A 72 1.346 -13.405 0.862 1.00 0.00 C ATOM 1070 CG ASP A 72 2.800 -13.803 1.025 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.677 -13.044 0.564 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.059 -14.874 1.612 1.00 0.00 O ATOM 0 H ASP A 72 0.724 -12.759 3.157 1.00 0.00 H new ATOM 0 HA ASP A 72 1.998 -11.373 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.723 -14.059 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.046 -13.555 -0.175 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.237 -11.879 0.575 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.387 -11.409 -0.187 1.00 0.00 C ATOM 1079 C ARG A 73 -2.603 -9.912 0.023 1.00 0.00 C ATOM 1080 O ARG A 73 -2.649 -9.141 -0.935 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.645 -12.179 0.219 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.366 -13.599 0.680 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.535 -14.523 0.376 1.00 0.00 C ATOM 1084 NE ARG A 73 -5.676 -14.269 1.252 1.00 0.00 N ATOM 1085 CZ ARG A 73 -6.924 -14.614 0.954 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -7.189 -15.227 -0.192 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -7.908 -14.348 1.802 1.00 0.00 N ATOM 0 H ARG A 73 -1.448 -12.622 1.241 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.188 -11.585 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.149 -11.638 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.332 -12.209 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.468 -13.973 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.167 -13.602 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.839 -14.393 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.216 -15.559 0.487 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.505 -13.801 2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.434 -15.434 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.148 -15.491 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.707 -13.878 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.866 -14.614 1.572 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.737 -9.510 1.282 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.947 -8.108 1.618 1.00 0.00 C ATOM 1103 C ALA A 74 -1.838 -7.234 1.043 1.00 0.00 C ATOM 1104 O ALA A 74 -2.089 -6.358 0.215 1.00 0.00 O ATOM 1105 CB ALA A 74 -3.030 -7.934 3.128 1.00 0.00 C ATOM 0 H ALA A 74 -2.704 -10.136 2.087 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.891 -7.791 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.187 -6.882 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.862 -8.522 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.101 -8.274 3.585 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.610 -7.475 1.489 1.00 0.00 N ATOM 1112 CA LYS A 75 0.539 -6.710 1.019 1.00 0.00 C ATOM 1113 C LYS A 75 0.493 -6.534 -0.496 1.00 0.00 C ATOM 1114 O LYS A 75 0.772 -5.453 -1.013 1.00 0.00 O ATOM 1115 CB LYS A 75 1.841 -7.406 1.422 1.00 0.00 C ATOM 1116 CG LYS A 75 3.083 -6.571 1.162 1.00 0.00 C ATOM 1117 CD LYS A 75 4.353 -7.364 1.422 1.00 0.00 C ATOM 1118 CE LYS A 75 5.586 -6.616 0.940 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.832 -7.405 1.152 1.00 0.00 N ATOM 0 H LYS A 75 -0.385 -8.195 2.176 1.00 0.00 H new ATOM 0 HA LYS A 75 0.502 -5.725 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.797 -7.656 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.925 -8.346 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.077 -6.220 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.068 -5.687 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.444 -7.568 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.291 -8.328 0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.479 -6.384 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.664 -5.666 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.650 -6.861 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.948 -7.605 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.769 -8.301 0.628 1.00 0.00 H new ATOM 1133 N ALA A 76 0.138 -7.604 -1.201 1.00 0.00 N ATOM 1134 CA ALA A 76 0.052 -7.567 -2.655 1.00 0.00 C ATOM 1135 C ALA A 76 -0.880 -6.453 -3.121 1.00 0.00 C ATOM 1136 O ALA A 76 -0.573 -5.730 -4.067 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.419 -8.911 -3.191 1.00 0.00 C ATOM 0 H ALA A 76 -0.095 -8.507 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 76 1.048 -7.361 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.479 -8.868 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.287 -9.688 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.403 -9.141 -2.783 1.00 0.00 H new ATOM 1143 N GLY A 77 -2.020 -6.322 -2.450 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.979 -5.295 -2.811 1.00 0.00 C ATOM 1145 C GLY A 77 -2.410 -3.896 -2.677 1.00 0.00 C ATOM 1146 O GLY A 77 -2.472 -3.099 -3.614 1.00 0.00 O ATOM 0 H GLY A 77 -2.296 -6.909 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.307 -5.454 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.861 -5.387 -2.177 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.854 -3.596 -1.508 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.273 -2.282 -1.253 1.00 0.00 C ATOM 1152 C LEU A 78 -0.185 -1.961 -2.272 1.00 0.00 C ATOM 1153 O LEU A 78 -0.251 -0.948 -2.969 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.694 -2.225 0.163 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.628 -0.840 0.805 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.017 -0.228 0.899 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.015 -0.921 2.182 1.00 0.00 C ATOM 0 H LEU A 78 -1.793 -4.244 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.064 -1.538 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.291 -2.873 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.313 -2.641 0.139 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.012 -0.198 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.950 0.758 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.442 -0.134 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.657 -0.869 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.054 0.074 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.574 -1.579 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.027 -1.316 2.089 1.00 0.00 H new ATOM 1169 N LEU A 79 0.815 -2.832 -2.357 1.00 0.00 N ATOM 1170 CA LEU A 79 1.917 -2.643 -3.294 1.00 0.00 C ATOM 1171 C LEU A 79 1.402 -2.190 -4.656 1.00 0.00 C ATOM 1172 O LEU A 79 1.847 -1.174 -5.192 1.00 0.00 O ATOM 1173 CB LEU A 79 2.713 -3.941 -3.444 1.00 0.00 C ATOM 1174 CG LEU A 79 3.674 -4.275 -2.301 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.357 -5.610 -2.552 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.705 -3.168 -2.131 1.00 0.00 C ATOM 0 H LEU A 79 0.885 -3.676 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 79 2.570 -1.867 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.008 -4.765 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.286 -3.888 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 79 3.099 -4.353 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.037 -5.831 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.605 -6.396 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.920 -5.561 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.380 -3.422 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.276 -3.058 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.198 -2.230 -1.904 1.00 0.00 H new ATOM 1188 N GLU A 80 0.460 -2.947 -5.209 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.116 -2.621 -6.509 1.00 0.00 C ATOM 1190 C GLU A 80 -0.811 -1.263 -6.470 1.00 0.00 C ATOM 1191 O GLU A 80 -0.683 -0.461 -7.396 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.111 -3.701 -6.936 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.458 -5.036 -7.258 1.00 0.00 C ATOM 1194 CD GLU A 80 0.793 -4.886 -8.101 1.00 0.00 C ATOM 1195 OE1 GLU A 80 1.828 -4.450 -7.556 1.00 0.00 O ATOM 1196 OE2 GLU A 80 0.735 -5.204 -9.307 1.00 0.00 O ATOM 0 H GLU A 80 0.079 -3.790 -4.778 1.00 0.00 H new ATOM 0 HA GLU A 80 0.695 -2.576 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.841 -3.846 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.659 -3.353 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.206 -5.546 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.173 -5.668 -7.785 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.546 -1.010 -5.392 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.261 0.250 -5.233 1.00 0.00 C ATOM 1205 C ARG A 81 -1.302 1.434 -5.306 1.00 0.00 C ATOM 1206 O ARG A 81 -1.607 2.456 -5.920 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.012 0.269 -3.900 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.281 1.105 -3.928 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.479 0.283 -4.376 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.713 1.066 -4.375 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.038 1.926 -5.333 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -6.228 2.112 -6.365 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.178 2.602 -5.261 1.00 0.00 N ATOM 0 H ARG A 81 -1.662 -1.661 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.979 0.337 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.267 -0.754 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.350 0.655 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.470 1.515 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.146 1.951 -4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.297 -0.106 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.595 -0.577 -3.717 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.360 0.945 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.352 1.594 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.481 2.773 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.805 2.461 -4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.427 3.262 -5.997 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.142 1.288 -4.674 1.00 0.00 N ATOM 1228 CA VAL A 82 0.863 2.345 -4.667 1.00 0.00 C ATOM 1229 C VAL A 82 1.438 2.566 -6.062 1.00 0.00 C ATOM 1230 O VAL A 82 1.671 3.701 -6.477 1.00 0.00 O ATOM 1231 CB VAL A 82 2.014 2.019 -3.696 1.00 0.00 C ATOM 1232 CG1 VAL A 82 3.096 3.085 -3.774 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.488 1.884 -2.275 1.00 0.00 C ATOM 0 H VAL A 82 0.125 0.448 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 82 0.363 3.255 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 82 2.455 1.066 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.901 2.838 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.491 3.129 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.673 4.053 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.314 1.654 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.021 2.820 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.752 1.081 -2.234 1.00 0.00 H new ATOM 1243 N LYS A 83 1.663 1.473 -6.783 1.00 0.00 N ATOM 1244 CA LYS A 83 2.209 1.545 -8.134 1.00 0.00 C ATOM 1245 C LYS A 83 1.194 2.149 -9.099 1.00 0.00 C ATOM 1246 O LYS A 83 1.543 2.969 -9.947 1.00 0.00 O ATOM 1247 CB LYS A 83 2.619 0.152 -8.615 1.00 0.00 C ATOM 1248 CG LYS A 83 3.745 -0.466 -7.804 1.00 0.00 C ATOM 1249 CD LYS A 83 3.900 -1.947 -8.103 1.00 0.00 C ATOM 1250 CE LYS A 83 4.469 -2.179 -9.493 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.959 -2.216 -9.485 1.00 0.00 N ATOM 0 H LYS A 83 1.476 0.526 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 83 3.089 2.188 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.751 -0.506 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.926 0.213 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.679 0.050 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.548 -0.327 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.555 -2.402 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.931 -2.439 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.085 -3.118 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.129 -1.388 -10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.307 -2.376 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.327 -1.310 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.284 -2.987 -8.868 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.063 1.741 -8.961 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.128 2.244 -9.821 1.00 0.00 C ATOM 1267 C GLU A 84 -1.454 3.697 -9.489 1.00 0.00 C ATOM 1268 O GLU A 84 -1.437 4.564 -10.363 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.383 1.382 -9.673 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.599 1.949 -10.387 1.00 0.00 C ATOM 1271 CD GLU A 84 -3.714 1.461 -11.819 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -2.749 1.645 -12.589 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -4.772 0.896 -12.168 1.00 0.00 O ATOM 0 H GLU A 84 -0.369 1.064 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.781 2.194 -10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.176 0.385 -10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.614 1.270 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.500 1.672 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.545 3.038 -10.381 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.752 3.956 -8.221 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.083 5.304 -7.771 1.00 0.00 C ATOM 1282 C LEU A 85 -1.070 6.317 -8.296 1.00 0.00 C ATOM 1283 O LEU A 85 -1.426 7.250 -9.014 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.130 5.357 -6.244 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.363 4.732 -5.589 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.099 4.447 -4.118 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.572 5.642 -5.748 1.00 0.00 C ATOM 0 H LEU A 85 -1.771 3.250 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.065 5.561 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.243 4.856 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.068 6.400 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.576 3.787 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.987 4.003 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.261 3.756 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.859 5.378 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.439 5.181 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.369 6.603 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.775 5.796 -6.808 1.00 0.00 H new