USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 Single : A 21 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.64! C(o=-3.6!,f=-6.1!) USER MOD Single : A 37 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= 0.738 (180deg=-0.122) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -143:sc= 0.0386 USER MOD Single : A 51 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.014) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.81 K(o=-1.8,f=-6!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 17 10.149 -5.737 -2.303 1.00 0.00 N ATOM 211 CA PRO A 17 8.906 -5.269 -1.682 1.00 0.00 C ATOM 212 C PRO A 17 7.673 -5.939 -2.277 1.00 0.00 C ATOM 213 O PRO A 17 7.785 -6.836 -3.113 1.00 0.00 O ATOM 214 CB PRO A 17 8.900 -3.769 -1.987 1.00 0.00 C ATOM 215 CG PRO A 17 9.727 -3.629 -3.218 1.00 0.00 C ATOM 216 CD PRO A 17 10.783 -4.697 -3.130 1.00 0.00 C ATOM 0 HA PRO A 17 8.869 -5.501 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.886 -3.402 -2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.320 -3.195 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.118 -3.755 -4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.178 -2.638 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.053 -5.077 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.697 -4.321 -2.671 1.00 0.00 H new ATOM 224 N ILE A 18 6.498 -5.498 -1.841 1.00 0.00 N ATOM 225 CA ILE A 18 5.243 -6.055 -2.333 1.00 0.00 C ATOM 226 C ILE A 18 4.375 -4.976 -2.970 1.00 0.00 C ATOM 227 O ILE A 18 4.401 -3.819 -2.554 1.00 0.00 O ATOM 228 CB ILE A 18 4.449 -6.736 -1.203 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.389 -7.535 -0.298 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.370 -7.638 -1.783 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.719 -8.068 0.949 1.00 0.00 C ATOM 0 H ILE A 18 6.388 -4.757 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 18 5.502 -6.800 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 18 3.967 -5.965 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.802 -8.370 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.227 -6.901 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.817 -8.112 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.686 -7.044 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.832 -8.405 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.445 -8.624 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.330 -7.237 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.899 -8.728 0.667 1.00 0.00 H new ATOM 243 N GLU A 19 3.606 -5.364 -3.982 1.00 0.00 N ATOM 244 CA GLU A 19 2.729 -4.429 -4.677 1.00 0.00 C ATOM 245 C GLU A 19 1.288 -4.576 -4.197 1.00 0.00 C ATOM 246 O GLU A 19 0.707 -5.660 -4.262 1.00 0.00 O ATOM 247 CB GLU A 19 2.800 -4.655 -6.189 1.00 0.00 C ATOM 248 CG GLU A 19 3.900 -3.860 -6.872 1.00 0.00 C ATOM 249 CD GLU A 19 3.849 -3.974 -8.383 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.361 -5.009 -8.884 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.297 -3.029 -9.065 1.00 0.00 O ATOM 0 H GLU A 19 3.572 -6.319 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 19 3.068 -3.418 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.957 -5.716 -6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.841 -4.388 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.816 -2.811 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.870 -4.210 -6.517 1.00 0.00 H new ATOM 258 N VAL A 20 0.716 -3.477 -3.715 1.00 0.00 N ATOM 259 CA VAL A 20 -0.657 -3.482 -3.224 1.00 0.00 C ATOM 260 C VAL A 20 -1.475 -2.368 -3.868 1.00 0.00 C ATOM 261 O VAL A 20 -0.988 -1.253 -4.055 1.00 0.00 O ATOM 262 CB VAL A 20 -0.707 -3.321 -1.693 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.086 -4.529 -1.008 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.005 -2.039 -1.270 1.00 0.00 C ATOM 0 H VAL A 20 1.182 -2.572 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.086 -4.447 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.751 -3.256 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.130 -4.397 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.636 -5.428 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.954 -4.629 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.050 -1.941 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.037 -2.072 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.499 -1.184 -1.732 1.00 0.00 H new ATOM 274 N THR A 21 -2.723 -2.678 -4.206 1.00 0.00 N ATOM 275 CA THR A 21 -3.610 -1.704 -4.830 1.00 0.00 C ATOM 276 C THR A 21 -4.530 -1.059 -3.800 1.00 0.00 C ATOM 277 O THR A 21 -5.293 -1.745 -3.120 1.00 0.00 O ATOM 278 CB THR A 21 -4.467 -2.351 -5.934 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.621 -2.952 -6.921 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.369 -1.318 -6.593 1.00 0.00 C ATOM 0 H THR A 21 -3.142 -3.596 -4.058 1.00 0.00 H new ATOM 0 HA THR A 21 -2.975 -0.938 -5.276 1.00 0.00 H new ATOM 0 HB THR A 21 -5.092 -3.118 -5.477 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.173 -3.363 -7.619 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.965 -1.798 -7.369 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.031 -0.883 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.758 -0.532 -7.038 1.00 0.00 H new ATOM 288 N ALA A 22 -4.454 0.263 -3.690 1.00 0.00 N ATOM 289 CA ALA A 22 -5.283 1.000 -2.745 1.00 0.00 C ATOM 290 C ALA A 22 -6.765 0.790 -3.034 1.00 0.00 C ATOM 291 O ALA A 22 -7.279 1.244 -4.058 1.00 0.00 O ATOM 292 CB ALA A 22 -4.940 2.482 -2.786 1.00 0.00 C ATOM 0 H ALA A 22 -3.826 0.846 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.077 0.618 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.567 3.020 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.891 2.620 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.116 2.868 -3.790 1.00 0.00 H new ATOM 298 N LEU A 23 -7.448 0.100 -2.128 1.00 0.00 N ATOM 299 CA LEU A 23 -8.873 -0.171 -2.287 1.00 0.00 C ATOM 300 C LEU A 23 -9.687 1.115 -2.185 1.00 0.00 C ATOM 301 O LEU A 23 -10.726 1.257 -2.830 1.00 0.00 O ATOM 302 CB LEU A 23 -9.343 -1.171 -1.229 1.00 0.00 C ATOM 303 CG LEU A 23 -8.542 -2.469 -1.129 1.00 0.00 C ATOM 304 CD1 LEU A 23 -8.981 -3.276 0.084 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.695 -3.290 -2.401 1.00 0.00 C ATOM 0 H LEU A 23 -7.039 -0.282 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.028 -0.599 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.321 -0.678 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.383 -1.424 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.489 -2.214 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.400 -4.196 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.819 -2.690 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.040 -3.520 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.118 -4.210 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.746 -3.534 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.330 -2.714 -3.252 1.00 0.00 H new ATOM 317 N TYR A 24 -9.207 2.049 -1.372 1.00 0.00 N ATOM 318 CA TYR A 24 -9.889 3.324 -1.186 1.00 0.00 C ATOM 319 C TYR A 24 -8.886 4.466 -1.055 1.00 0.00 C ATOM 320 O TYR A 24 -7.686 4.238 -0.897 1.00 0.00 O ATOM 321 CB TYR A 24 -10.783 3.271 0.055 1.00 0.00 C ATOM 322 CG TYR A 24 -11.611 2.010 0.151 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.812 1.890 -0.537 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.193 0.939 0.931 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.572 0.740 -0.451 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.946 -0.216 1.021 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.135 -0.311 0.329 1.00 0.00 C ATOM 328 OH TYR A 24 -13.889 -1.458 0.417 1.00 0.00 O ATOM 0 H TYR A 24 -8.348 1.947 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.507 3.508 -2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.160 3.355 0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.449 4.134 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.157 2.710 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.264 1.010 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.504 0.664 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.605 -1.040 1.630 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.440 -2.100 1.005 1.00 0.00 H new ATOM 338 N SER A 25 -9.386 5.695 -1.121 1.00 0.00 N ATOM 339 CA SER A 25 -8.534 6.874 -1.013 1.00 0.00 C ATOM 340 C SER A 25 -8.141 7.129 0.439 1.00 0.00 C ATOM 341 O SER A 25 -8.880 6.790 1.363 1.00 0.00 O ATOM 342 CB SER A 25 -9.250 8.100 -1.582 1.00 0.00 C ATOM 343 OG SER A 25 -10.451 8.362 -0.878 1.00 0.00 O ATOM 0 H SER A 25 -10.377 5.901 -1.249 1.00 0.00 H new ATOM 0 HA SER A 25 -7.627 6.691 -1.590 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.594 8.968 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.471 7.939 -2.637 1.00 0.00 H new ATOM 0 HG SER A 25 -10.889 9.151 -1.260 1.00 0.00 H new ATOM 349 N PHE A 26 -6.971 7.729 0.631 1.00 0.00 N ATOM 350 CA PHE A 26 -6.477 8.030 1.970 1.00 0.00 C ATOM 351 C PHE A 26 -5.579 9.264 1.954 1.00 0.00 C ATOM 352 O PHE A 26 -4.984 9.597 0.931 1.00 0.00 O ATOM 353 CB PHE A 26 -5.707 6.833 2.533 1.00 0.00 C ATOM 354 CG PHE A 26 -5.003 7.128 3.827 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.708 7.178 5.019 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.637 7.356 3.851 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.063 7.449 6.211 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.986 7.626 5.040 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.700 7.674 6.221 1.00 0.00 C ATOM 0 H PHE A 26 -6.347 8.016 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.336 8.235 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.399 6.005 2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.974 6.504 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.774 7.003 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.074 7.322 2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.624 7.485 7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.920 7.799 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.194 7.887 7.151 1.00 0.00 H new ATOM 369 N GLU A 27 -5.489 9.937 3.097 1.00 0.00 N ATOM 370 CA GLU A 27 -4.666 11.135 3.214 1.00 0.00 C ATOM 371 C GLU A 27 -3.986 11.196 4.579 1.00 0.00 C ATOM 372 O GLU A 27 -4.636 11.419 5.599 1.00 0.00 O ATOM 373 CB GLU A 27 -5.517 12.388 3.000 1.00 0.00 C ATOM 374 CG GLU A 27 -5.702 12.755 1.537 1.00 0.00 C ATOM 375 CD GLU A 27 -6.719 13.863 1.338 1.00 0.00 C ATOM 376 OE1 GLU A 27 -6.316 15.045 1.349 1.00 0.00 O ATOM 377 OE2 GLU A 27 -7.915 13.548 1.170 1.00 0.00 O ATOM 0 H GLU A 27 -5.975 9.673 3.954 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.895 11.092 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.496 12.234 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.053 13.226 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.744 13.067 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.019 11.872 0.982 1.00 0.00 H new ATOM 384 N GLY A 28 -2.671 10.996 4.588 1.00 0.00 N ATOM 385 CA GLY A 28 -1.924 11.031 5.831 1.00 0.00 C ATOM 386 C GLY A 28 -2.278 12.231 6.687 1.00 0.00 C ATOM 387 O GLY A 28 -1.834 13.347 6.415 1.00 0.00 O ATOM 0 H GLY A 28 -2.110 10.810 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.118 10.118 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.857 11.049 5.610 1.00 0.00 H new ATOM 439 N GLY A 32 4.236 12.228 8.591 1.00 0.00 N ATOM 440 CA GLY A 32 5.042 11.047 8.344 1.00 0.00 C ATOM 441 C GLY A 32 4.291 9.984 7.567 1.00 0.00 C ATOM 442 O GLY A 32 4.900 9.147 6.900 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.938 11.331 7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.373 10.631 9.296 1.00 0.00 H new ATOM 446 N ASP A 33 2.966 10.016 7.654 1.00 0.00 N ATOM 447 CA ASP A 33 2.131 9.047 6.954 1.00 0.00 C ATOM 448 C ASP A 33 2.267 9.204 5.443 1.00 0.00 C ATOM 449 O ASP A 33 3.006 10.064 4.961 1.00 0.00 O ATOM 450 CB ASP A 33 0.667 9.212 7.366 1.00 0.00 C ATOM 451 CG ASP A 33 0.481 9.172 8.870 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.166 9.945 9.573 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.348 8.368 9.345 1.00 0.00 O ATOM 0 H ASP A 33 2.447 10.702 8.202 1.00 0.00 H new ATOM 0 HA ASP A 33 2.468 8.048 7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.289 10.159 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.072 8.422 6.908 1.00 0.00 H new ATOM 458 N LEU A 34 1.551 8.368 4.699 1.00 0.00 N ATOM 459 CA LEU A 34 1.593 8.412 3.242 1.00 0.00 C ATOM 460 C LEU A 34 0.208 8.691 2.666 1.00 0.00 C ATOM 461 O LEU A 34 -0.800 8.219 3.190 1.00 0.00 O ATOM 462 CB LEU A 34 2.132 7.093 2.686 1.00 0.00 C ATOM 463 CG LEU A 34 2.119 6.950 1.164 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.384 7.542 0.562 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.971 5.489 0.767 1.00 0.00 C ATOM 0 H LEU A 34 0.934 7.651 5.081 1.00 0.00 H new ATOM 0 HA LEU A 34 2.260 9.222 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.157 6.967 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.549 6.277 3.112 1.00 0.00 H new ATOM 0 HG LEU A 34 1.263 7.500 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.357 7.431 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.448 8.600 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.255 7.020 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.964 5.406 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.807 4.916 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.036 5.096 1.167 1.00 0.00 H new ATOM 477 N ASN A 35 0.167 9.461 1.583 1.00 0.00 N ATOM 478 CA ASN A 35 -1.094 9.801 0.934 1.00 0.00 C ATOM 479 C ASN A 35 -1.236 9.070 -0.398 1.00 0.00 C ATOM 480 O ASN A 35 -0.346 9.127 -1.247 1.00 0.00 O ATOM 481 CB ASN A 35 -1.185 11.312 0.712 1.00 0.00 C ATOM 482 CG ASN A 35 -1.379 12.076 2.007 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.407 12.721 2.213 1.00 0.00 O ATOM 484 ND2 ASN A 35 -0.387 12.008 2.888 1.00 0.00 N ATOM 0 H ASN A 35 0.992 9.861 1.137 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.907 9.486 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.276 11.660 0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.014 11.528 0.038 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.460 12.503 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.447 11.461 2.675 1.00 0.00 H new ATOM 491 N PHE A 36 -2.360 8.385 -0.573 1.00 0.00 N ATOM 492 CA PHE A 36 -2.619 7.642 -1.802 1.00 0.00 C ATOM 493 C PHE A 36 -4.086 7.754 -2.206 1.00 0.00 C ATOM 494 O PHE A 36 -4.881 8.396 -1.521 1.00 0.00 O ATOM 495 CB PHE A 36 -2.238 6.171 -1.623 1.00 0.00 C ATOM 496 CG PHE A 36 -2.917 5.513 -0.456 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.368 5.587 0.814 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.105 4.822 -0.629 1.00 0.00 C ATOM 499 CE1 PHE A 36 -2.991 4.982 1.889 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.733 4.215 0.443 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.176 4.296 1.704 1.00 0.00 C ATOM 0 H PHE A 36 -3.107 8.328 0.120 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.008 8.074 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.488 5.626 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.158 6.097 -1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.443 6.123 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.546 4.757 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.552 5.045 2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.658 3.678 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.665 3.824 2.543 1.00 0.00 H new ATOM 511 N GLN A 37 -4.435 7.124 -3.323 1.00 0.00 N ATOM 512 CA GLN A 37 -5.806 7.154 -3.819 1.00 0.00 C ATOM 513 C GLN A 37 -6.267 5.758 -4.228 1.00 0.00 C ATOM 514 O GLN A 37 -5.453 4.899 -4.566 1.00 0.00 O ATOM 515 CB GLN A 37 -5.920 8.110 -5.008 1.00 0.00 C ATOM 516 CG GLN A 37 -5.616 9.557 -4.655 1.00 0.00 C ATOM 517 CD GLN A 37 -4.147 9.899 -4.804 1.00 0.00 C ATOM 518 OE1 GLN A 37 -3.381 9.146 -5.407 1.00 0.00 O ATOM 519 NE2 GLN A 37 -3.745 11.038 -4.254 1.00 0.00 N ATOM 0 H GLN A 37 -3.788 6.587 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.450 7.509 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.237 7.785 -5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.928 8.049 -5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.205 10.214 -5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.927 9.749 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.414 11.632 -3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.767 11.320 -4.322 1.00 0.00 H new ATOM 528 N ALA A 38 -7.578 5.541 -4.196 1.00 0.00 N ATOM 529 CA ALA A 38 -8.147 4.251 -4.565 1.00 0.00 C ATOM 530 C ALA A 38 -7.653 3.805 -5.937 1.00 0.00 C ATOM 531 O ALA A 38 -8.114 4.299 -6.964 1.00 0.00 O ATOM 532 CB ALA A 38 -9.667 4.320 -4.546 1.00 0.00 C ATOM 0 H ALA A 38 -8.265 6.242 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.818 3.514 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.079 3.350 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.007 4.585 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.006 5.074 -5.256 1.00 0.00 H new ATOM 538 N GLY A 39 -6.711 2.867 -5.946 1.00 0.00 N ATOM 539 CA GLY A 39 -6.169 2.370 -7.197 1.00 0.00 C ATOM 540 C GLY A 39 -4.664 2.525 -7.280 1.00 0.00 C ATOM 541 O GLY A 39 -3.986 1.734 -7.935 1.00 0.00 O ATOM 0 H GLY A 39 -6.313 2.442 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.429 1.318 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.632 2.903 -8.027 1.00 0.00 H new ATOM 545 N ASP A 40 -4.139 3.548 -6.614 1.00 0.00 N ATOM 546 CA ASP A 40 -2.703 3.805 -6.616 1.00 0.00 C ATOM 547 C ASP A 40 -1.943 2.642 -5.987 1.00 0.00 C ATOM 548 O ASP A 40 -2.253 2.212 -4.876 1.00 0.00 O ATOM 549 CB ASP A 40 -2.395 5.100 -5.861 1.00 0.00 C ATOM 550 CG ASP A 40 -2.469 6.322 -6.754 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.471 6.461 -7.486 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.525 7.140 -6.722 1.00 0.00 O ATOM 0 H ASP A 40 -4.686 4.212 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.378 3.911 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.099 5.213 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.399 5.034 -5.423 1.00 0.00 H new ATOM 557 N ARG A 41 -0.946 2.136 -6.706 1.00 0.00 N ATOM 558 CA ARG A 41 -0.143 1.020 -6.220 1.00 0.00 C ATOM 559 C ARG A 41 0.934 1.506 -5.254 1.00 0.00 C ATOM 560 O ARG A 41 1.664 2.454 -5.548 1.00 0.00 O ATOM 561 CB ARG A 41 0.505 0.282 -7.393 1.00 0.00 C ATOM 562 CG ARG A 41 -0.479 -0.530 -8.220 1.00 0.00 C ATOM 563 CD ARG A 41 -1.170 0.332 -9.266 1.00 0.00 C ATOM 564 NE ARG A 41 -1.586 -0.448 -10.428 1.00 0.00 N ATOM 565 CZ ARG A 41 -2.589 -1.319 -10.409 1.00 0.00 C ATOM 566 NH1 ARG A 41 -3.275 -1.520 -9.293 1.00 0.00 N ATOM 567 NH2 ARG A 41 -2.908 -1.990 -11.508 1.00 0.00 N ATOM 0 H ARG A 41 -0.675 2.481 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.802 0.335 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.998 1.007 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.280 -0.382 -7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.046 -1.350 -8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.226 -0.977 -7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.041 0.813 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.495 1.126 -9.585 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.078 -0.317 -11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.033 -1.005 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.045 -2.189 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.383 -1.838 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.678 -2.658 -11.492 1.00 0.00 H new ATOM 581 N ILE A 42 1.026 0.852 -4.102 1.00 0.00 N ATOM 582 CA ILE A 42 2.013 1.217 -3.093 1.00 0.00 C ATOM 583 C ILE A 42 3.072 0.130 -2.942 1.00 0.00 C ATOM 584 O ILE A 42 2.751 -1.051 -2.804 1.00 0.00 O ATOM 585 CB ILE A 42 1.353 1.469 -1.725 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.261 2.533 -1.849 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.398 1.892 -0.703 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.861 2.368 -0.848 1.00 0.00 C ATOM 0 H ILE A 42 0.429 0.066 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 42 2.487 2.138 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 42 0.893 0.542 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.709 3.518 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.154 2.500 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.916 2.067 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.144 1.104 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.884 2.809 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.599 3.157 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.335 1.397 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.459 2.431 0.163 1.00 0.00 H new ATOM 600 N THR A 43 4.337 0.537 -2.966 1.00 0.00 N ATOM 601 CA THR A 43 5.444 -0.401 -2.831 1.00 0.00 C ATOM 602 C THR A 43 5.722 -0.717 -1.366 1.00 0.00 C ATOM 603 O THR A 43 6.420 0.031 -0.681 1.00 0.00 O ATOM 604 CB THR A 43 6.729 0.149 -3.478 1.00 0.00 C ATOM 605 OG1 THR A 43 6.497 0.437 -4.862 1.00 0.00 O ATOM 606 CG2 THR A 43 7.871 -0.848 -3.348 1.00 0.00 C ATOM 0 H THR A 43 4.620 1.510 -3.078 1.00 0.00 H new ATOM 0 HA THR A 43 5.148 -1.314 -3.347 1.00 0.00 H new ATOM 0 HB THR A 43 7.007 1.066 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.318 0.788 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.767 -0.437 -3.812 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.065 -1.043 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.599 -1.779 -3.845 1.00 0.00 H new ATOM 614 N VAL A 44 5.172 -1.829 -0.890 1.00 0.00 N ATOM 615 CA VAL A 44 5.362 -2.245 0.494 1.00 0.00 C ATOM 616 C VAL A 44 6.825 -2.572 0.774 1.00 0.00 C ATOM 617 O VAL A 44 7.356 -3.563 0.271 1.00 0.00 O ATOM 618 CB VAL A 44 4.498 -3.473 0.836 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.681 -3.867 2.293 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.034 -3.196 0.530 1.00 0.00 C ATOM 0 H VAL A 44 4.591 -2.459 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 44 5.053 -1.408 1.120 1.00 0.00 H new ATOM 0 HB VAL A 44 4.824 -4.308 0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.062 -4.737 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.728 -4.110 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.384 -3.037 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.438 -4.074 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.693 -2.347 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.921 -2.968 -0.530 1.00 0.00 H new ATOM 630 N ILE A 45 7.469 -1.735 1.579 1.00 0.00 N ATOM 631 CA ILE A 45 8.870 -1.937 1.927 1.00 0.00 C ATOM 632 C ILE A 45 9.007 -2.636 3.275 1.00 0.00 C ATOM 633 O ILE A 45 9.882 -3.481 3.462 1.00 0.00 O ATOM 634 CB ILE A 45 9.636 -0.602 1.975 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.774 0.484 2.623 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.059 -0.184 0.574 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.516 1.778 2.870 1.00 0.00 C ATOM 0 H ILE A 45 7.043 -0.910 2.003 1.00 0.00 H new ATOM 0 HA ILE A 45 9.300 -2.567 1.148 1.00 0.00 H new ATOM 0 HB ILE A 45 10.533 -0.736 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.915 0.684 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.386 0.111 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.599 0.761 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.706 -0.950 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.175 -0.064 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.843 2.501 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.360 1.592 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.881 2.175 1.923 1.00 0.00 H new ATOM 649 N SER A 46 8.134 -2.280 4.212 1.00 0.00 N ATOM 650 CA SER A 46 8.158 -2.872 5.544 1.00 0.00 C ATOM 651 C SER A 46 6.742 -3.070 6.076 1.00 0.00 C ATOM 652 O SER A 46 6.017 -2.106 6.322 1.00 0.00 O ATOM 653 CB SER A 46 8.956 -1.988 6.504 1.00 0.00 C ATOM 654 OG SER A 46 9.399 -2.727 7.630 1.00 0.00 O ATOM 0 H SER A 46 7.401 -1.584 4.073 1.00 0.00 H new ATOM 0 HA SER A 46 8.641 -3.847 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.814 -1.563 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.338 -1.153 6.834 1.00 0.00 H new ATOM 0 HG SER A 46 9.908 -2.140 8.227 1.00 0.00 H new ATOM 660 N LYS A 47 6.353 -4.329 6.252 1.00 0.00 N ATOM 661 CA LYS A 47 5.025 -4.657 6.756 1.00 0.00 C ATOM 662 C LYS A 47 5.111 -5.655 7.906 1.00 0.00 C ATOM 663 O LYS A 47 6.146 -6.286 8.119 1.00 0.00 O ATOM 664 CB LYS A 47 4.158 -5.231 5.632 1.00 0.00 C ATOM 665 CG LYS A 47 4.474 -6.679 5.300 1.00 0.00 C ATOM 666 CD LYS A 47 3.667 -7.166 4.108 1.00 0.00 C ATOM 667 CE LYS A 47 2.271 -7.605 4.522 1.00 0.00 C ATOM 668 NZ LYS A 47 1.474 -8.086 3.360 1.00 0.00 N ATOM 0 H LYS A 47 6.940 -5.139 6.053 1.00 0.00 H new ATOM 0 HA LYS A 47 4.568 -3.740 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.109 -5.153 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.290 -4.624 4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.538 -6.781 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.261 -7.307 6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.594 -6.370 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.185 -7.999 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.345 -8.399 5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.754 -6.771 4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.541 -7.628 3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.970 -7.850 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.354 -9.117 3.424 1.00 0.00 H new ATOM 682 N THR A 48 4.014 -5.794 8.646 1.00 0.00 N ATOM 683 CA THR A 48 3.966 -6.715 9.774 1.00 0.00 C ATOM 684 C THR A 48 3.059 -7.904 9.475 1.00 0.00 C ATOM 685 O THR A 48 2.434 -7.969 8.416 1.00 0.00 O ATOM 686 CB THR A 48 3.468 -6.013 11.051 1.00 0.00 C ATOM 687 OG1 THR A 48 2.094 -5.637 10.900 1.00 0.00 O ATOM 688 CG2 THR A 48 4.306 -4.780 11.353 1.00 0.00 C ATOM 0 H THR A 48 3.148 -5.280 8.484 1.00 0.00 H new ATOM 0 HA THR A 48 4.984 -7.070 9.936 1.00 0.00 H new ATOM 0 HB THR A 48 3.564 -6.711 11.883 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.785 -5.193 11.717 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.935 -4.301 12.259 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.346 -5.073 11.497 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.238 -4.081 10.519 1.00 0.00 H new ATOM 696 N ASP A 49 2.993 -8.842 10.413 1.00 0.00 N ATOM 697 CA ASP A 49 2.161 -10.029 10.250 1.00 0.00 C ATOM 698 C ASP A 49 0.744 -9.772 10.753 1.00 0.00 C ATOM 699 O ASP A 49 0.269 -10.441 11.671 1.00 0.00 O ATOM 700 CB ASP A 49 2.774 -11.214 10.998 1.00 0.00 C ATOM 701 CG ASP A 49 3.996 -11.772 10.296 1.00 0.00 C ATOM 702 OD1 ASP A 49 3.828 -12.631 9.406 1.00 0.00 O ATOM 703 OD2 ASP A 49 5.121 -11.350 10.638 1.00 0.00 O ATOM 0 H ASP A 49 3.505 -8.804 11.294 1.00 0.00 H new ATOM 0 HA ASP A 49 2.113 -10.266 9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.048 -10.901 12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.027 -12.001 11.101 1.00 0.00 H new ATOM 708 N SER A 50 0.073 -8.797 10.146 1.00 0.00 N ATOM 709 CA SER A 50 -1.288 -8.449 10.535 1.00 0.00 C ATOM 710 C SER A 50 -1.909 -7.483 9.531 1.00 0.00 C ATOM 711 O SER A 50 -1.235 -6.596 9.006 1.00 0.00 O ATOM 712 CB SER A 50 -1.298 -7.826 11.933 1.00 0.00 C ATOM 713 OG SER A 50 -2.621 -7.683 12.418 1.00 0.00 O ATOM 0 H SER A 50 0.450 -8.235 9.383 1.00 0.00 H new ATOM 0 HA SER A 50 -1.881 -9.363 10.548 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.722 -8.450 12.617 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.811 -6.851 11.904 1.00 0.00 H new ATOM 0 HG SER A 50 -2.692 -6.853 12.934 1.00 0.00 H new ATOM 719 N HIS A 51 -3.200 -7.661 9.269 1.00 0.00 N ATOM 720 CA HIS A 51 -3.915 -6.805 8.328 1.00 0.00 C ATOM 721 C HIS A 51 -4.218 -5.446 8.952 1.00 0.00 C ATOM 722 O HIS A 51 -3.722 -4.417 8.495 1.00 0.00 O ATOM 723 CB HIS A 51 -5.214 -7.476 7.881 1.00 0.00 C ATOM 724 CG HIS A 51 -5.034 -8.896 7.441 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.873 -9.917 7.832 1.00 0.00 N ATOM 726 CD2 HIS A 51 -4.105 -9.462 6.636 1.00 0.00 C ATOM 727 CE1 HIS A 51 -5.467 -11.051 7.289 1.00 0.00 C ATOM 728 NE2 HIS A 51 -4.396 -10.802 6.557 1.00 0.00 N ATOM 0 H HIS A 51 -3.773 -8.390 9.695 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.277 -6.651 7.458 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.930 -7.447 8.703 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.646 -6.902 7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.287 -8.954 6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.932 -12.017 7.421 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.871 -11.492 6.021 1.00 0.00 H new ATOM 737 N PHE A 52 -5.037 -5.451 9.999 1.00 0.00 N ATOM 738 CA PHE A 52 -5.409 -4.219 10.685 1.00 0.00 C ATOM 739 C PHE A 52 -4.192 -3.320 10.885 1.00 0.00 C ATOM 740 O PHE A 52 -4.206 -2.146 10.512 1.00 0.00 O ATOM 741 CB PHE A 52 -6.050 -4.537 12.038 1.00 0.00 C ATOM 742 CG PHE A 52 -6.515 -3.318 12.781 1.00 0.00 C ATOM 743 CD1 PHE A 52 -7.556 -2.546 12.292 1.00 0.00 C ATOM 744 CD2 PHE A 52 -5.910 -2.943 13.971 1.00 0.00 C ATOM 745 CE1 PHE A 52 -7.987 -1.424 12.974 1.00 0.00 C ATOM 746 CE2 PHE A 52 -6.337 -1.822 14.657 1.00 0.00 C ATOM 747 CZ PHE A 52 -7.376 -1.061 14.158 1.00 0.00 C ATOM 0 H PHE A 52 -5.456 -6.295 10.391 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.132 -3.690 10.064 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.898 -5.203 11.882 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.331 -5.076 12.654 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.037 -2.824 11.366 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.096 -3.533 14.366 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.801 -0.832 12.582 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.858 -1.541 15.583 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.710 -0.184 14.693 1.00 0.00 H new ATOM 757 N ASP A 53 -3.142 -3.879 11.475 1.00 0.00 N ATOM 758 CA ASP A 53 -1.916 -3.129 11.725 1.00 0.00 C ATOM 759 C ASP A 53 -1.546 -2.274 10.516 1.00 0.00 C ATOM 760 O ASP A 53 -1.940 -2.573 9.389 1.00 0.00 O ATOM 761 CB ASP A 53 -0.768 -4.082 12.060 1.00 0.00 C ATOM 762 CG ASP A 53 -0.945 -4.747 13.412 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.099 -4.847 13.878 1.00 0.00 O ATOM 764 OD2 ASP A 53 0.072 -5.167 14.003 1.00 0.00 O ATOM 0 H ASP A 53 -3.115 -4.849 11.789 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.090 -2.470 12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.698 -4.848 11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.173 -3.531 12.049 1.00 0.00 H new ATOM 769 N TRP A 54 -0.790 -1.210 10.760 1.00 0.00 N ATOM 770 CA TRP A 54 -0.368 -0.312 9.691 1.00 0.00 C ATOM 771 C TRP A 54 0.977 -0.743 9.116 1.00 0.00 C ATOM 772 O TRP A 54 1.863 -1.183 9.849 1.00 0.00 O ATOM 773 CB TRP A 54 -0.278 1.124 10.210 1.00 0.00 C ATOM 774 CG TRP A 54 -1.615 1.777 10.388 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.739 1.210 10.919 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.969 3.118 10.033 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.770 2.119 10.915 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.323 3.297 10.378 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.273 4.185 9.460 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.992 4.500 10.166 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.938 5.378 9.250 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.286 5.528 9.602 1.00 0.00 C ATOM 0 H TRP A 54 -0.457 -0.948 11.688 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.113 -0.358 8.896 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.249 1.125 11.164 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.318 1.717 9.516 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.807 0.197 11.287 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.715 1.944 11.257 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.234 4.079 9.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.031 4.618 10.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.410 6.209 8.807 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.777 6.473 9.425 1.00 0.00 H new ATOM 793 N TRP A 55 1.122 -0.613 7.802 1.00 0.00 N ATOM 794 CA TRP A 55 2.360 -0.990 7.130 1.00 0.00 C ATOM 795 C TRP A 55 3.069 0.237 6.567 1.00 0.00 C ATOM 796 O TRP A 55 2.532 1.344 6.600 1.00 0.00 O ATOM 797 CB TRP A 55 2.072 -1.988 6.007 1.00 0.00 C ATOM 798 CG TRP A 55 1.454 -3.264 6.491 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.491 -3.762 7.762 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.710 -4.206 5.711 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.814 -4.957 7.819 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.324 -5.250 6.574 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.329 -4.268 4.368 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.421 -6.342 6.136 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.410 -5.352 3.934 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.779 -6.376 4.815 1.00 0.00 C ATOM 0 H TRP A 55 0.398 -0.250 7.182 1.00 0.00 H new ATOM 0 HA TRP A 55 3.014 -1.460 7.865 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.406 -1.523 5.280 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.002 -2.217 5.487 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.980 -3.287 8.599 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.696 -5.532 8.653 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.607 -3.482 3.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.706 -7.133 6.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.708 -5.410 2.898 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.358 -7.209 4.445 1.00 0.00 H new ATOM 817 N GLU A 56 4.277 0.033 6.050 1.00 0.00 N ATOM 818 CA GLU A 56 5.058 1.125 5.480 1.00 0.00 C ATOM 819 C GLU A 56 5.409 0.839 4.023 1.00 0.00 C ATOM 820 O GLU A 56 6.134 -0.108 3.722 1.00 0.00 O ATOM 821 CB GLU A 56 6.336 1.344 6.292 1.00 0.00 C ATOM 822 CG GLU A 56 7.129 2.567 5.860 1.00 0.00 C ATOM 823 CD GLU A 56 8.392 2.761 6.676 1.00 0.00 C ATOM 824 OE1 GLU A 56 8.306 3.357 7.770 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.467 2.316 6.221 1.00 0.00 O ATOM 0 H GLU A 56 4.736 -0.877 6.014 1.00 0.00 H new ATOM 0 HA GLU A 56 4.453 2.031 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.075 1.444 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.969 0.461 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.393 2.471 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.502 3.454 5.952 1.00 0.00 H new ATOM 832 N GLY A 57 4.889 1.667 3.122 1.00 0.00 N ATOM 833 CA GLY A 57 5.158 1.487 1.707 1.00 0.00 C ATOM 834 C GLY A 57 5.672 2.752 1.049 1.00 0.00 C ATOM 835 O GLY A 57 5.855 3.775 1.710 1.00 0.00 O ATOM 0 H GLY A 57 4.287 2.459 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.891 0.691 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.246 1.165 1.205 1.00 0.00 H new ATOM 839 N LYS A 58 5.909 2.684 -0.256 1.00 0.00 N ATOM 840 CA LYS A 58 6.406 3.832 -1.005 1.00 0.00 C ATOM 841 C LYS A 58 5.524 4.115 -2.217 1.00 0.00 C ATOM 842 O LYS A 58 5.183 3.207 -2.975 1.00 0.00 O ATOM 843 CB LYS A 58 7.848 3.587 -1.457 1.00 0.00 C ATOM 844 CG LYS A 58 8.886 4.005 -0.430 1.00 0.00 C ATOM 845 CD LYS A 58 10.160 3.187 -0.562 1.00 0.00 C ATOM 846 CE LYS A 58 11.140 3.833 -1.530 1.00 0.00 C ATOM 847 NZ LYS A 58 12.058 4.781 -0.840 1.00 0.00 N ATOM 0 H LYS A 58 5.765 1.845 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 58 6.380 4.701 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.975 2.528 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.027 4.131 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.117 5.063 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.477 3.884 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.629 3.082 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.915 2.183 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.724 3.058 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.588 4.362 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.710 5.200 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.503 5.535 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.604 4.271 -0.116 1.00 0.00 H new ATOM 861 N LEU A 59 5.157 5.380 -2.393 1.00 0.00 N ATOM 862 CA LEU A 59 4.315 5.783 -3.515 1.00 0.00 C ATOM 863 C LEU A 59 4.735 7.149 -4.047 1.00 0.00 C ATOM 864 O LEU A 59 5.136 8.028 -3.284 1.00 0.00 O ATOM 865 CB LEU A 59 2.847 5.818 -3.088 1.00 0.00 C ATOM 866 CG LEU A 59 1.920 6.684 -3.942 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.590 5.983 -5.250 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.648 7.019 -3.178 1.00 0.00 C ATOM 0 H LEU A 59 5.429 6.144 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 59 4.438 5.050 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.464 4.798 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.797 6.173 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 59 2.436 7.616 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.929 6.614 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.509 5.796 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.094 5.035 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.001 7.636 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.128 6.098 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.902 7.564 -2.269 1.00 0.00 H new ATOM 880 N ARG A 60 4.638 7.321 -5.361 1.00 0.00 N ATOM 881 CA ARG A 60 5.007 8.581 -5.996 1.00 0.00 C ATOM 882 C ARG A 60 6.311 9.120 -5.417 1.00 0.00 C ATOM 883 O ARG A 60 6.416 10.302 -5.090 1.00 0.00 O ATOM 884 CB ARG A 60 3.892 9.613 -5.817 1.00 0.00 C ATOM 885 CG ARG A 60 2.599 9.242 -6.526 1.00 0.00 C ATOM 886 CD ARG A 60 2.865 8.696 -7.920 1.00 0.00 C ATOM 887 NE ARG A 60 3.725 9.582 -8.700 1.00 0.00 N ATOM 888 CZ ARG A 60 4.112 9.323 -9.944 1.00 0.00 C ATOM 889 NH1 ARG A 60 3.718 8.210 -10.546 1.00 0.00 N ATOM 890 NH2 ARG A 60 4.895 10.179 -10.588 1.00 0.00 N ATOM 0 H ARG A 60 4.307 6.604 -6.007 1.00 0.00 H new ATOM 0 HA ARG A 60 5.152 8.394 -7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.690 9.737 -4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.237 10.577 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.062 8.497 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.956 10.119 -6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.332 7.714 -7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.918 8.558 -8.442 1.00 0.00 H new ATOM 0 HE ARG A 60 4.046 10.447 -8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.116 7.550 -10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.017 8.014 -11.501 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.200 11.037 -10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.192 9.979 -11.543 1.00 0.00 H new ATOM 904 N GLY A 61 7.304 8.245 -5.292 1.00 0.00 N ATOM 905 CA GLY A 61 8.588 8.651 -4.751 1.00 0.00 C ATOM 906 C GLY A 61 8.476 9.204 -3.344 1.00 0.00 C ATOM 907 O GLY A 61 9.109 10.206 -3.012 1.00 0.00 O ATOM 0 H GLY A 61 7.242 7.262 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.265 7.796 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.030 9.406 -5.401 1.00 0.00 H new ATOM 911 N GLN A 62 7.668 8.550 -2.516 1.00 0.00 N ATOM 912 CA GLN A 62 7.474 8.985 -1.138 1.00 0.00 C ATOM 913 C GLN A 62 7.460 7.792 -0.188 1.00 0.00 C ATOM 914 O GLN A 62 7.394 6.640 -0.620 1.00 0.00 O ATOM 915 CB GLN A 62 6.167 9.770 -1.007 1.00 0.00 C ATOM 916 CG GLN A 62 6.160 11.073 -1.790 1.00 0.00 C ATOM 917 CD GLN A 62 4.959 11.941 -1.468 1.00 0.00 C ATOM 918 OE1 GLN A 62 4.209 11.660 -0.533 1.00 0.00 O ATOM 919 NE2 GLN A 62 4.771 13.003 -2.243 1.00 0.00 N ATOM 0 H GLN A 62 7.138 7.718 -2.775 1.00 0.00 H new ATOM 0 HA GLN A 62 8.308 9.633 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.342 9.146 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.987 9.987 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.073 11.628 -1.573 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.168 10.851 -2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.418 13.198 -3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.980 13.624 -2.074 1.00 0.00 H new ATOM 928 N THR A 63 7.524 8.074 1.110 1.00 0.00 N ATOM 929 CA THR A 63 7.521 7.025 2.122 1.00 0.00 C ATOM 930 C THR A 63 6.639 7.404 3.305 1.00 0.00 C ATOM 931 O THR A 63 6.655 8.546 3.763 1.00 0.00 O ATOM 932 CB THR A 63 8.945 6.731 2.631 1.00 0.00 C ATOM 933 OG1 THR A 63 9.883 6.845 1.555 1.00 0.00 O ATOM 934 CG2 THR A 63 9.027 5.338 3.236 1.00 0.00 C ATOM 0 H THR A 63 7.579 9.021 1.485 1.00 0.00 H new ATOM 0 HA THR A 63 7.121 6.129 1.647 1.00 0.00 H new ATOM 0 HB THR A 63 9.188 7.460 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.786 6.658 1.887 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.042 5.153 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.333 5.264 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.765 4.597 2.481 1.00 0.00 H new ATOM 942 N GLY A 64 5.869 6.438 3.798 1.00 0.00 N ATOM 943 CA GLY A 64 4.991 6.692 4.925 1.00 0.00 C ATOM 944 C GLY A 64 4.221 5.457 5.349 1.00 0.00 C ATOM 945 O GLY A 64 4.267 4.427 4.675 1.00 0.00 O ATOM 0 H GLY A 64 5.838 5.485 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.581 7.056 5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.288 7.483 4.663 1.00 0.00 H new ATOM 949 N ILE A 65 3.513 5.558 6.468 1.00 0.00 N ATOM 950 CA ILE A 65 2.730 4.441 6.981 1.00 0.00 C ATOM 951 C ILE A 65 1.267 4.558 6.568 1.00 0.00 C ATOM 952 O ILE A 65 0.775 5.653 6.292 1.00 0.00 O ATOM 953 CB ILE A 65 2.813 4.353 8.516 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.400 5.684 9.148 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.220 3.968 8.950 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.768 5.534 10.514 1.00 0.00 C ATOM 0 H ILE A 65 3.465 6.403 7.038 1.00 0.00 H new ATOM 0 HA ILE A 65 3.155 3.535 6.550 1.00 0.00 H new ATOM 0 HB ILE A 65 2.124 3.580 8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.277 6.325 9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.698 6.189 8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.262 3.910 10.038 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.480 2.999 8.525 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.927 4.719 8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.501 6.517 10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.871 4.919 10.435 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.476 5.057 11.192 1.00 0.00 H new ATOM 968 N PHE A 66 0.576 3.424 6.528 1.00 0.00 N ATOM 969 CA PHE A 66 -0.832 3.399 6.150 1.00 0.00 C ATOM 970 C PHE A 66 -1.479 2.076 6.549 1.00 0.00 C ATOM 971 O PHE A 66 -0.825 1.037 6.635 1.00 0.00 O ATOM 972 CB PHE A 66 -0.981 3.619 4.643 1.00 0.00 C ATOM 973 CG PHE A 66 -0.442 2.487 3.816 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.884 2.476 3.412 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.260 1.433 3.443 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.381 1.436 2.651 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.768 0.389 2.682 1.00 0.00 C ATOM 978 CZ PHE A 66 0.555 0.390 2.286 1.00 0.00 C ATOM 0 H PHE A 66 0.968 2.510 6.753 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.339 4.205 6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.036 3.761 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.466 4.539 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.536 3.289 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.295 1.427 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.416 1.440 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.417 -0.426 2.398 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.943 -0.425 1.693 1.00 0.00 H new ATOM 988 N PRO A 67 -2.797 2.115 6.799 1.00 0.00 N ATOM 989 CA PRO A 67 -3.562 0.928 7.193 1.00 0.00 C ATOM 990 C PRO A 67 -3.709 -0.072 6.052 1.00 0.00 C ATOM 991 O PRO A 67 -4.218 0.262 4.983 1.00 0.00 O ATOM 992 CB PRO A 67 -4.928 1.501 7.582 1.00 0.00 C ATOM 993 CG PRO A 67 -5.037 2.773 6.815 1.00 0.00 C ATOM 994 CD PRO A 67 -3.640 3.319 6.716 1.00 0.00 C ATOM 0 HA PRO A 67 -3.072 0.374 7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.734 0.813 7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.992 1.679 8.655 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.458 2.597 5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.696 3.478 7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.484 3.855 5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.423 4.018 7.524 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.260 -1.301 6.287 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.344 -2.351 5.280 1.00 0.00 C ATOM 1004 C ALA A 68 -4.791 -2.608 4.874 1.00 0.00 C ATOM 1005 O ALA A 68 -5.057 -3.232 3.848 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.703 -3.630 5.796 1.00 0.00 C ATOM 0 H ALA A 68 -2.834 -1.593 7.167 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.800 -2.017 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.773 -4.406 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.655 -3.443 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.221 -3.959 6.697 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.724 -2.124 5.688 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.145 -2.304 5.415 1.00 0.00 C ATOM 1014 C ASN A 69 -7.588 -1.431 4.244 1.00 0.00 C ATOM 1015 O ASN A 69 -8.677 -1.612 3.699 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.972 -1.967 6.658 1.00 0.00 C ATOM 1017 CG ASN A 69 -7.336 -2.487 7.933 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -6.916 -3.642 8.004 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -7.264 -1.634 8.948 1.00 0.00 N ATOM 0 H ASN A 69 -5.521 -1.604 6.542 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.309 -3.349 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.092 -0.886 6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.970 -2.392 6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.847 -1.927 9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.625 -0.686 8.844 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.737 -0.486 3.863 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.041 0.416 2.759 1.00 0.00 C ATOM 1028 C TYR A 70 -6.446 -0.102 1.453 1.00 0.00 C ATOM 1029 O TYR A 70 -6.666 0.472 0.386 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.505 1.818 3.055 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.482 2.693 3.808 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -7.993 2.299 5.038 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.892 3.915 3.289 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -8.886 3.094 5.729 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.784 4.718 3.974 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.278 4.303 5.193 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.166 5.100 5.879 1.00 0.00 O ATOM 0 H TYR A 70 -5.831 -0.324 4.302 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.125 0.464 2.651 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.586 1.732 3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.244 2.304 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.686 1.354 5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.507 4.243 2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.275 2.771 6.683 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.093 5.665 3.557 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.337 5.917 5.365 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.692 -1.193 1.545 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.066 -1.791 0.372 1.00 0.00 C ATOM 1049 C VAL A 71 -5.343 -3.289 0.306 1.00 0.00 C ATOM 1050 O VAL A 71 -5.977 -3.855 1.197 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.543 -1.562 0.370 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.227 -0.079 0.494 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.884 -2.352 1.490 1.00 0.00 C ATOM 0 H VAL A 71 -5.500 -1.681 2.420 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.500 -1.304 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.140 -1.917 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.146 0.064 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.667 0.458 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.641 0.305 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.808 -2.178 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.289 -2.030 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.082 -3.415 1.351 1.00 0.00 H new ATOM 1063 N THR A 72 -4.864 -3.928 -0.757 1.00 0.00 N ATOM 1064 CA THR A 72 -5.060 -5.360 -0.941 1.00 0.00 C ATOM 1065 C THR A 72 -3.918 -5.973 -1.744 1.00 0.00 C ATOM 1066 O THR A 72 -3.152 -5.261 -2.394 1.00 0.00 O ATOM 1067 CB THR A 72 -6.392 -5.657 -1.656 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.672 -7.061 -1.606 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.343 -5.196 -3.105 1.00 0.00 C ATOM 0 H THR A 72 -4.337 -3.475 -1.504 1.00 0.00 H new ATOM 0 HA THR A 72 -5.082 -5.806 0.053 1.00 0.00 H new ATOM 0 HB THR A 72 -7.184 -5.110 -1.144 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.521 -7.242 -2.061 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.294 -5.416 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.158 -4.122 -3.139 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.541 -5.719 -3.626 1.00 0.00 H new