USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=12 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 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 :FLIP amide:sc= 0.19 F(o=-1.3,f=0.19) USER MOD Single : A 37 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.63) 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+ 158:sc= 0 (180deg=-0.0244) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 50 SER OG : rot 42:sc= 1.21 USER MOD Single : A 51 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.11) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.558 USER MOD Single : A 69 ASN : amide:sc= -1.05 K(o=-1,f=-4.3!) 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 10.390 -5.337 -2.042 1.00 0.00 N ATOM 211 CA PRO A 17 9.121 -4.920 -1.438 1.00 0.00 C ATOM 212 C PRO A 17 7.923 -5.625 -2.064 1.00 0.00 C ATOM 213 O PRO A 17 8.081 -6.535 -2.878 1.00 0.00 O ATOM 214 CB PRO A 17 9.068 -3.417 -1.727 1.00 0.00 C ATOM 215 CG PRO A 17 9.913 -3.235 -2.941 1.00 0.00 C ATOM 216 CD PRO A 17 11.003 -4.266 -2.845 1.00 0.00 C ATOM 0 HA PRO A 17 9.074 -5.166 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.045 -3.083 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.452 -2.838 -0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.326 -3.371 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.330 -2.229 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.305 -4.624 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.895 -3.864 -2.365 1.00 0.00 H new ATOM 224 N ILE A 18 6.724 -5.199 -1.679 1.00 0.00 N ATOM 225 CA ILE A 18 5.499 -5.789 -2.203 1.00 0.00 C ATOM 226 C ILE A 18 4.637 -4.740 -2.897 1.00 0.00 C ATOM 227 O ILE A 18 4.814 -3.541 -2.688 1.00 0.00 O ATOM 228 CB ILE A 18 4.675 -6.460 -1.089 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.601 -7.154 -0.087 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.689 -7.454 -1.684 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.886 -7.659 1.146 1.00 0.00 C ATOM 0 H ILE A 18 6.576 -4.447 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 18 5.799 -6.547 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 18 4.111 -5.691 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.094 -7.992 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.383 -6.457 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.114 -7.920 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.012 -6.934 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.233 -8.222 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.603 -8.139 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.416 -6.822 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.123 -8.380 0.854 1.00 0.00 H new ATOM 243 N GLU A 19 3.702 -5.202 -3.722 1.00 0.00 N ATOM 244 CA GLU A 19 2.811 -4.302 -4.445 1.00 0.00 C ATOM 245 C GLU A 19 1.362 -4.506 -4.011 1.00 0.00 C ATOM 246 O GLU A 19 0.823 -5.609 -4.107 1.00 0.00 O ATOM 247 CB GLU A 19 2.940 -4.525 -5.953 1.00 0.00 C ATOM 248 CG GLU A 19 4.039 -3.699 -6.600 1.00 0.00 C ATOM 249 CD GLU A 19 4.015 -3.779 -8.114 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.564 -4.815 -8.645 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.449 -2.807 -8.767 1.00 0.00 O ATOM 0 H GLU A 19 3.542 -6.192 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 19 3.101 -3.278 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.133 -5.581 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.989 -4.286 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.934 -2.658 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.008 -4.042 -6.237 1.00 0.00 H new ATOM 258 N VAL A 20 0.737 -3.435 -3.533 1.00 0.00 N ATOM 259 CA VAL A 20 -0.649 -3.495 -3.085 1.00 0.00 C ATOM 260 C VAL A 20 -1.483 -2.394 -3.729 1.00 0.00 C ATOM 261 O VAL A 20 -1.019 -1.266 -3.900 1.00 0.00 O ATOM 262 CB VAL A 20 -0.749 -3.370 -1.553 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.110 -4.573 -0.876 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.102 -2.076 -1.081 1.00 0.00 C ATOM 0 H VAL A 20 1.169 -2.515 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.038 -4.467 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.803 -3.345 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.190 -4.467 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.622 -5.482 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.941 -4.633 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.182 -2.004 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.949 -2.069 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.610 -1.227 -1.539 1.00 0.00 H new ATOM 274 N THR A 21 -2.719 -2.727 -4.086 1.00 0.00 N ATOM 275 CA THR A 21 -3.619 -1.767 -4.713 1.00 0.00 C ATOM 276 C THR A 21 -4.554 -1.138 -3.686 1.00 0.00 C ATOM 277 O THR A 21 -5.336 -1.832 -3.038 1.00 0.00 O ATOM 278 CB THR A 21 -4.462 -2.428 -5.820 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.613 -3.152 -6.717 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.252 -1.383 -6.595 1.00 0.00 C ATOM 0 H THR A 21 -3.120 -3.655 -3.952 1.00 0.00 H new ATOM 0 HA THR A 21 -2.995 -0.991 -5.156 1.00 0.00 H new ATOM 0 HB THR A 21 -5.163 -3.117 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.157 -3.570 -7.416 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.840 -1.873 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.919 -0.853 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.564 -0.673 -7.054 1.00 0.00 H new ATOM 288 N ALA A 22 -4.467 0.180 -3.543 1.00 0.00 N ATOM 289 CA ALA A 22 -5.306 0.903 -2.597 1.00 0.00 C ATOM 290 C ALA A 22 -6.783 0.754 -2.948 1.00 0.00 C ATOM 291 O ALA A 22 -7.257 1.320 -3.934 1.00 0.00 O ATOM 292 CB ALA A 22 -4.916 2.373 -2.560 1.00 0.00 C ATOM 0 H ALA A 22 -3.823 0.769 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.149 0.473 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.552 2.900 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.874 2.465 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.042 2.808 -3.551 1.00 0.00 H new ATOM 298 N LEU A 23 -7.505 -0.009 -2.136 1.00 0.00 N ATOM 299 CA LEU A 23 -8.929 -0.233 -2.361 1.00 0.00 C ATOM 300 C LEU A 23 -9.716 1.063 -2.200 1.00 0.00 C ATOM 301 O LEU A 23 -10.764 1.246 -2.820 1.00 0.00 O ATOM 302 CB LEU A 23 -9.459 -1.289 -1.389 1.00 0.00 C ATOM 303 CG LEU A 23 -8.695 -2.613 -1.354 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.257 -3.525 -0.274 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.749 -3.296 -2.712 1.00 0.00 C ATOM 0 H LEU A 23 -7.128 -0.483 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.059 -0.591 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.456 -0.864 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.498 -1.499 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.652 -2.402 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.701 -4.462 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.166 -3.038 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.308 -3.729 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.200 -4.237 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.787 -3.494 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.299 -2.648 -3.464 1.00 0.00 H new ATOM 317 N TYR A 24 -9.203 1.961 -1.367 1.00 0.00 N ATOM 318 CA TYR A 24 -9.858 3.241 -1.125 1.00 0.00 C ATOM 319 C TYR A 24 -8.831 4.360 -0.982 1.00 0.00 C ATOM 320 O TYR A 24 -7.631 4.107 -0.883 1.00 0.00 O ATOM 321 CB TYR A 24 -10.724 3.165 0.134 1.00 0.00 C ATOM 322 CG TYR A 24 -11.566 1.912 0.215 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.769 1.815 -0.473 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.160 0.826 0.980 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.543 0.672 -0.402 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.926 -0.321 1.056 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.116 -0.393 0.364 1.00 0.00 C ATOM 328 OH TYR A 24 -13.883 -1.533 0.438 1.00 0.00 O ATOM 0 H TYR A 24 -8.335 1.826 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.494 3.463 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.080 3.217 1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.379 4.036 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.105 2.647 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.229 0.879 1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.476 0.613 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.594 -1.157 1.654 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.440 -2.188 1.017 1.00 0.00 H new ATOM 338 N SER A 25 -9.313 5.599 -0.974 1.00 0.00 N ATOM 339 CA SER A 25 -8.438 6.759 -0.847 1.00 0.00 C ATOM 340 C SER A 25 -7.993 6.948 0.600 1.00 0.00 C ATOM 341 O SER A 25 -8.590 6.394 1.523 1.00 0.00 O ATOM 342 CB SER A 25 -9.151 8.019 -1.342 1.00 0.00 C ATOM 343 OG SER A 25 -10.085 8.486 -0.383 1.00 0.00 O ATOM 0 H SER A 25 -10.304 5.825 -1.054 1.00 0.00 H new ATOM 0 HA SER A 25 -7.554 6.585 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.417 8.798 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.664 7.806 -2.280 1.00 0.00 H new ATOM 0 HG SER A 25 -10.526 9.293 -0.722 1.00 0.00 H new ATOM 349 N PHE A 26 -6.939 7.734 0.790 1.00 0.00 N ATOM 350 CA PHE A 26 -6.411 7.996 2.124 1.00 0.00 C ATOM 351 C PHE A 26 -5.729 9.360 2.181 1.00 0.00 C ATOM 352 O PHE A 26 -5.429 9.958 1.148 1.00 0.00 O ATOM 353 CB PHE A 26 -5.422 6.901 2.529 1.00 0.00 C ATOM 354 CG PHE A 26 -4.738 7.166 3.840 1.00 0.00 C ATOM 355 CD1 PHE A 26 -3.565 7.901 3.888 1.00 0.00 C ATOM 356 CD2 PHE A 26 -5.269 6.680 5.024 1.00 0.00 C ATOM 357 CE1 PHE A 26 -2.934 8.145 5.093 1.00 0.00 C ATOM 358 CE2 PHE A 26 -4.643 6.921 6.232 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.474 7.656 6.266 1.00 0.00 C ATOM 0 H PHE A 26 -6.433 8.201 0.037 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.247 7.998 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.950 5.950 2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.668 6.797 1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.139 8.288 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.183 6.106 5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.019 8.718 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.067 6.536 7.148 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.983 7.848 7.209 1.00 0.00 H new ATOM 369 N GLU A 27 -5.487 9.844 3.395 1.00 0.00 N ATOM 370 CA GLU A 27 -4.841 11.138 3.586 1.00 0.00 C ATOM 371 C GLU A 27 -4.076 11.174 4.905 1.00 0.00 C ATOM 372 O GLU A 27 -4.672 11.177 5.982 1.00 0.00 O ATOM 373 CB GLU A 27 -5.881 12.261 3.556 1.00 0.00 C ATOM 374 CG GLU A 27 -6.417 12.556 2.165 1.00 0.00 C ATOM 375 CD GLU A 27 -7.528 13.588 2.175 1.00 0.00 C ATOM 376 OE1 GLU A 27 -7.214 14.797 2.191 1.00 0.00 O ATOM 377 OE2 GLU A 27 -8.711 13.188 2.168 1.00 0.00 O ATOM 0 H GLU A 27 -5.728 9.361 4.260 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.133 11.286 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.713 11.992 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.436 13.168 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.602 12.911 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.788 11.633 1.719 1.00 0.00 H new ATOM 384 N GLY A 28 -2.750 11.201 4.813 1.00 0.00 N ATOM 385 CA GLY A 28 -1.923 11.236 6.006 1.00 0.00 C ATOM 386 C GLY A 28 -2.217 12.439 6.879 1.00 0.00 C ATOM 387 O GLY A 28 -2.086 13.580 6.438 1.00 0.00 O ATOM 0 H GLY A 28 -2.233 11.199 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.083 10.325 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.872 11.249 5.716 1.00 0.00 H new ATOM 439 N GLY A 32 4.285 12.279 9.066 1.00 0.00 N ATOM 440 CA GLY A 32 5.031 11.063 8.799 1.00 0.00 C ATOM 441 C GLY A 32 4.168 9.973 8.194 1.00 0.00 C ATOM 442 O GLY A 32 4.461 8.787 8.341 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.855 11.287 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.472 10.700 9.727 1.00 0.00 H new ATOM 446 N ASP A 33 3.100 10.376 7.515 1.00 0.00 N ATOM 447 CA ASP A 33 2.190 9.425 6.886 1.00 0.00 C ATOM 448 C ASP A 33 2.374 9.417 5.372 1.00 0.00 C ATOM 449 O ASP A 33 3.265 10.082 4.840 1.00 0.00 O ATOM 450 CB ASP A 33 0.741 9.767 7.234 1.00 0.00 C ATOM 451 CG ASP A 33 0.407 9.467 8.682 1.00 0.00 C ATOM 452 OD1 ASP A 33 1.336 9.466 9.517 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.783 9.232 8.981 1.00 0.00 O ATOM 0 H ASP A 33 2.843 11.355 7.386 1.00 0.00 H new ATOM 0 HA ASP A 33 2.422 8.431 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.562 10.824 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.072 9.202 6.585 1.00 0.00 H new ATOM 458 N LEU A 34 1.528 8.660 4.682 1.00 0.00 N ATOM 459 CA LEU A 34 1.597 8.565 3.228 1.00 0.00 C ATOM 460 C LEU A 34 0.277 8.987 2.591 1.00 0.00 C ATOM 461 O LEU A 34 -0.782 8.884 3.208 1.00 0.00 O ATOM 462 CB LEU A 34 1.945 7.136 2.808 1.00 0.00 C ATOM 463 CG LEU A 34 1.925 6.854 1.305 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.076 7.569 0.613 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.989 5.357 1.041 1.00 0.00 C ATOM 0 H LEU A 34 0.786 8.103 5.106 1.00 0.00 H new ATOM 0 HA LEU A 34 2.379 9.241 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.938 6.899 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.246 6.455 3.294 1.00 0.00 H new ATOM 0 HG LEU A 34 0.989 7.234 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.046 7.357 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.985 8.643 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.022 7.219 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.974 5.176 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.908 4.952 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.131 4.869 1.503 1.00 0.00 H new ATOM 477 N ASN A 35 0.349 9.461 1.351 1.00 0.00 N ATOM 478 CA ASN A 35 -0.840 9.898 0.629 1.00 0.00 C ATOM 479 C ASN A 35 -1.037 9.076 -0.641 1.00 0.00 C ATOM 480 O ASN A 35 -0.188 9.078 -1.532 1.00 0.00 O ATOM 481 CB ASN A 35 -0.733 11.383 0.278 1.00 0.00 C ATOM 482 CG ASN A 35 -0.360 12.235 1.476 1.00 0.00 C ATOM 483 OD1 ASN A 35 -1.296 12.391 2.405 1.00 0.00 O flip ATOM 484 ND2 ASN A 35 0.756 12.746 1.566 1.00 0.00 N flip ATOM 0 H ASN A 35 1.218 9.552 0.826 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.704 9.747 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.013 11.516 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.685 11.727 -0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.445 12.600 0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.992 13.316 2.378 1.00 0.00 H new ATOM 491 N PHE A 36 -2.164 8.376 -0.717 1.00 0.00 N ATOM 492 CA PHE A 36 -2.474 7.550 -1.879 1.00 0.00 C ATOM 493 C PHE A 36 -3.949 7.667 -2.252 1.00 0.00 C ATOM 494 O PHE A 36 -4.726 8.318 -1.554 1.00 0.00 O ATOM 495 CB PHE A 36 -2.121 6.087 -1.599 1.00 0.00 C ATOM 496 CG PHE A 36 -2.881 5.498 -0.445 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.381 5.580 0.845 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.095 4.862 -0.649 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.077 5.038 1.908 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.796 4.318 0.410 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.287 4.407 1.691 1.00 0.00 C ATOM 0 H PHE A 36 -2.878 8.364 0.012 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.876 7.907 -2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.319 5.496 -2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.053 6.012 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.437 6.073 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.498 4.791 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.676 5.107 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.741 3.824 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.834 3.984 2.521 1.00 0.00 H new ATOM 511 N GLN A 37 -4.326 7.031 -3.356 1.00 0.00 N ATOM 512 CA GLN A 37 -5.707 7.065 -3.823 1.00 0.00 C ATOM 513 C GLN A 37 -6.191 5.666 -4.191 1.00 0.00 C ATOM 514 O GLN A 37 -5.391 4.745 -4.357 1.00 0.00 O ATOM 515 CB GLN A 37 -5.837 7.996 -5.029 1.00 0.00 C ATOM 516 CG GLN A 37 -6.084 9.448 -4.652 1.00 0.00 C ATOM 517 CD GLN A 37 -7.558 9.776 -4.525 1.00 0.00 C ATOM 518 OE1 GLN A 37 -8.011 10.264 -3.489 1.00 0.00 O ATOM 519 NE2 GLN A 37 -8.317 9.509 -5.582 1.00 0.00 N ATOM 0 H GLN A 37 -3.695 6.486 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.329 7.444 -3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.927 7.934 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.656 7.649 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.585 9.664 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.635 10.096 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.900 9.105 -6.420 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.317 9.708 -5.555 1.00 0.00 H new ATOM 528 N ALA A 38 -7.505 5.514 -4.317 1.00 0.00 N ATOM 529 CA ALA A 38 -8.096 4.229 -4.668 1.00 0.00 C ATOM 530 C ALA A 38 -7.595 3.746 -6.025 1.00 0.00 C ATOM 531 O ALA A 38 -8.026 4.237 -7.067 1.00 0.00 O ATOM 532 CB ALA A 38 -9.614 4.328 -4.668 1.00 0.00 C ATOM 0 H ALA A 38 -8.181 6.266 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.791 3.500 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.042 3.361 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.960 4.619 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.930 5.075 -5.396 1.00 0.00 H new ATOM 538 N GLY A 39 -6.680 2.781 -6.004 1.00 0.00 N ATOM 539 CA GLY A 39 -6.135 2.249 -7.239 1.00 0.00 C ATOM 540 C GLY A 39 -4.631 2.412 -7.326 1.00 0.00 C ATOM 541 O GLY A 39 -3.953 1.637 -8.001 1.00 0.00 O ATOM 0 H GLY A 39 -6.307 2.359 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.388 1.192 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.602 2.753 -8.085 1.00 0.00 H new ATOM 545 N ASP A 40 -4.106 3.424 -6.644 1.00 0.00 N ATOM 546 CA ASP A 40 -2.672 3.688 -6.647 1.00 0.00 C ATOM 547 C ASP A 40 -1.907 2.541 -5.993 1.00 0.00 C ATOM 548 O ASP A 40 -2.234 2.118 -4.884 1.00 0.00 O ATOM 549 CB ASP A 40 -2.371 4.999 -5.920 1.00 0.00 C ATOM 550 CG ASP A 40 -2.402 6.197 -6.849 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.513 6.636 -7.213 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.316 6.695 -7.212 1.00 0.00 O ATOM 0 H ASP A 40 -4.653 4.076 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.346 3.774 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.099 5.143 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.390 4.933 -5.449 1.00 0.00 H new ATOM 557 N ARG A 41 -0.890 2.043 -6.688 1.00 0.00 N ATOM 558 CA ARG A 41 -0.080 0.944 -6.176 1.00 0.00 C ATOM 559 C ARG A 41 0.959 1.453 -5.180 1.00 0.00 C ATOM 560 O ARG A 41 1.716 2.377 -5.476 1.00 0.00 O ATOM 561 CB ARG A 41 0.615 0.215 -7.327 1.00 0.00 C ATOM 562 CG ARG A 41 -0.308 -0.703 -8.112 1.00 0.00 C ATOM 563 CD ARG A 41 -1.204 0.084 -9.056 1.00 0.00 C ATOM 564 NE ARG A 41 -0.459 0.638 -10.183 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.960 1.536 -11.024 1.00 0.00 C ATOM 566 NH1 ARG A 41 -2.199 1.979 -10.866 1.00 0.00 N ATOM 567 NH2 ARG A 41 -0.220 1.993 -12.026 1.00 0.00 N ATOM 0 H ARG A 41 -0.607 2.383 -7.607 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.741 0.247 -5.661 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.044 0.952 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.443 -0.371 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.286 -1.417 -8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.923 -1.280 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.996 -0.565 -9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.686 0.893 -8.508 1.00 0.00 H new ATOM 0 HE ARG A 41 0.498 0.318 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.771 1.630 -10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.581 2.669 -11.514 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.734 1.655 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.605 2.682 -12.671 1.00 0.00 H new ATOM 581 N ILE A 42 0.988 0.843 -4.000 1.00 0.00 N ATOM 582 CA ILE A 42 1.934 1.233 -2.962 1.00 0.00 C ATOM 583 C ILE A 42 2.997 0.160 -2.756 1.00 0.00 C ATOM 584 O ILE A 42 2.688 -0.978 -2.401 1.00 0.00 O ATOM 585 CB ILE A 42 1.222 1.498 -1.622 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.135 2.561 -1.799 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.226 1.932 -0.565 1.00 0.00 C ATOM 588 CD1 ILE A 42 -1.032 2.395 -0.850 1.00 0.00 C ATOM 0 H ILE A 42 0.367 0.077 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 42 2.411 2.153 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 42 0.750 0.573 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.575 3.547 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.233 2.526 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.707 2.115 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.968 1.146 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.723 2.846 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.764 3.182 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.497 1.423 -1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.677 2.460 0.178 1.00 0.00 H new ATOM 600 N THR A 43 4.255 0.530 -2.978 1.00 0.00 N ATOM 601 CA THR A 43 5.365 -0.399 -2.816 1.00 0.00 C ATOM 602 C THR A 43 5.677 -0.632 -1.342 1.00 0.00 C ATOM 603 O THR A 43 6.372 0.164 -0.711 1.00 0.00 O ATOM 604 CB THR A 43 6.635 0.113 -3.523 1.00 0.00 C ATOM 605 OG1 THR A 43 6.336 0.451 -4.882 1.00 0.00 O ATOM 606 CG2 THR A 43 7.736 -0.936 -3.485 1.00 0.00 C ATOM 0 H THR A 43 4.530 1.468 -3.271 1.00 0.00 H new ATOM 0 HA THR A 43 5.058 -1.340 -3.273 1.00 0.00 H new ATOM 0 HB THR A 43 6.984 1.001 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.148 0.777 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.622 -0.552 -3.990 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.981 -1.169 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.395 -1.840 -3.989 1.00 0.00 H new ATOM 614 N VAL A 44 5.159 -1.730 -0.799 1.00 0.00 N ATOM 615 CA VAL A 44 5.384 -2.069 0.601 1.00 0.00 C ATOM 616 C VAL A 44 6.850 -2.396 0.859 1.00 0.00 C ATOM 617 O VAL A 44 7.402 -3.324 0.267 1.00 0.00 O ATOM 618 CB VAL A 44 4.518 -3.266 1.035 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.685 -3.536 2.522 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.057 -3.019 0.691 1.00 0.00 C ATOM 0 H VAL A 44 4.581 -2.399 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 44 5.102 -1.195 1.187 1.00 0.00 H new ATOM 0 HB VAL A 44 4.852 -4.149 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.065 -4.385 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.730 -3.760 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.380 -2.656 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.460 -3.875 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.708 -2.124 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.955 -2.880 -0.385 1.00 0.00 H new ATOM 630 N ILE A 45 7.475 -1.629 1.746 1.00 0.00 N ATOM 631 CA ILE A 45 8.877 -1.839 2.083 1.00 0.00 C ATOM 632 C ILE A 45 9.020 -2.520 3.440 1.00 0.00 C ATOM 633 O ILE A 45 9.906 -3.352 3.638 1.00 0.00 O ATOM 634 CB ILE A 45 9.656 -0.511 2.103 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.773 0.616 2.642 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.163 -0.173 0.708 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.498 1.936 2.787 1.00 0.00 C ATOM 0 H ILE A 45 7.032 -0.857 2.244 1.00 0.00 H new ATOM 0 HA ILE A 45 9.294 -2.484 1.310 1.00 0.00 H new ATOM 0 HB ILE A 45 10.515 -0.621 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.921 0.750 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.374 0.321 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.712 0.768 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.823 -0.967 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.318 -0.078 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.810 2.688 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.333 1.818 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.873 2.254 1.814 1.00 0.00 H new ATOM 649 N SER A 46 8.142 -2.162 4.371 1.00 0.00 N ATOM 650 CA SER A 46 8.171 -2.736 5.711 1.00 0.00 C ATOM 651 C SER A 46 6.758 -2.910 6.258 1.00 0.00 C ATOM 652 O SER A 46 6.094 -1.938 6.618 1.00 0.00 O ATOM 653 CB SER A 46 8.989 -1.849 6.652 1.00 0.00 C ATOM 654 OG SER A 46 9.582 -2.614 7.687 1.00 0.00 O ATOM 0 H SER A 46 7.401 -1.477 4.222 1.00 0.00 H new ATOM 0 HA SER A 46 8.641 -3.717 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.765 -1.333 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.346 -1.082 7.085 1.00 0.00 H new ATOM 0 HG SER A 46 10.100 -2.024 8.274 1.00 0.00 H new ATOM 660 N LYS A 47 6.303 -4.157 6.319 1.00 0.00 N ATOM 661 CA LYS A 47 4.969 -4.462 6.823 1.00 0.00 C ATOM 662 C LYS A 47 5.005 -5.662 7.765 1.00 0.00 C ATOM 663 O LYS A 47 6.070 -6.210 8.049 1.00 0.00 O ATOM 664 CB LYS A 47 4.014 -4.741 5.661 1.00 0.00 C ATOM 665 CG LYS A 47 4.360 -5.994 4.876 1.00 0.00 C ATOM 666 CD LYS A 47 3.771 -7.237 5.522 1.00 0.00 C ATOM 667 CE LYS A 47 3.460 -8.309 4.488 1.00 0.00 C ATOM 668 NZ LYS A 47 3.557 -9.679 5.063 1.00 0.00 N ATOM 0 H LYS A 47 6.839 -4.974 6.025 1.00 0.00 H new ATOM 0 HA LYS A 47 4.611 -3.596 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.000 -4.835 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.019 -3.886 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.986 -5.901 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.443 -6.096 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.471 -7.632 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.860 -6.972 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.457 -8.152 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.151 -8.217 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.001 -10.339 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.552 -9.981 5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.186 -9.675 6.035 1.00 0.00 H new ATOM 682 N THR A 48 3.833 -6.066 8.245 1.00 0.00 N ATOM 683 CA THR A 48 3.730 -7.201 9.154 1.00 0.00 C ATOM 684 C THR A 48 2.771 -8.254 8.612 1.00 0.00 C ATOM 685 O THR A 48 1.891 -7.950 7.807 1.00 0.00 O ATOM 686 CB THR A 48 3.255 -6.760 10.551 1.00 0.00 C ATOM 687 OG1 THR A 48 1.864 -6.420 10.511 1.00 0.00 O ATOM 688 CG2 THR A 48 4.060 -5.568 11.045 1.00 0.00 C ATOM 0 H THR A 48 2.942 -5.624 8.019 1.00 0.00 H new ATOM 0 HA THR A 48 4.728 -7.631 9.237 1.00 0.00 H new ATOM 0 HB THR A 48 3.406 -7.590 11.241 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.569 -6.142 11.403 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.706 -5.275 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.114 -5.839 11.103 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.937 -4.734 10.354 1.00 0.00 H new ATOM 696 N ASP A 49 2.946 -9.493 9.059 1.00 0.00 N ATOM 697 CA ASP A 49 2.094 -10.592 8.620 1.00 0.00 C ATOM 698 C ASP A 49 0.793 -10.623 9.416 1.00 0.00 C ATOM 699 O ASP A 49 0.519 -11.580 10.139 1.00 0.00 O ATOM 700 CB ASP A 49 2.828 -11.925 8.767 1.00 0.00 C ATOM 701 CG ASP A 49 3.182 -12.235 10.209 1.00 0.00 C ATOM 702 OD1 ASP A 49 4.000 -11.493 10.791 1.00 0.00 O ATOM 703 OD2 ASP A 49 2.641 -13.220 10.754 1.00 0.00 O ATOM 0 H ASP A 49 3.670 -9.761 9.725 1.00 0.00 H new ATOM 0 HA ASP A 49 1.852 -10.434 7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.205 -12.726 8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.739 -11.903 8.169 1.00 0.00 H new ATOM 708 N SER A 50 -0.004 -9.568 9.279 1.00 0.00 N ATOM 709 CA SER A 50 -1.274 -9.471 9.990 1.00 0.00 C ATOM 710 C SER A 50 -2.058 -8.243 9.538 1.00 0.00 C ATOM 711 O SER A 50 -1.509 -7.145 9.434 1.00 0.00 O ATOM 712 CB SER A 50 -1.034 -9.410 11.500 1.00 0.00 C ATOM 713 OG SER A 50 -0.941 -10.710 12.055 1.00 0.00 O ATOM 0 H SER A 50 0.207 -8.768 8.682 1.00 0.00 H new ATOM 0 HA SER A 50 -1.861 -10.360 9.758 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.116 -8.858 11.703 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.847 -8.864 11.979 1.00 0.00 H new ATOM 0 HG SER A 50 -0.410 -11.282 11.462 1.00 0.00 H new ATOM 719 N HIS A 51 -3.345 -8.436 9.269 1.00 0.00 N ATOM 720 CA HIS A 51 -4.206 -7.345 8.828 1.00 0.00 C ATOM 721 C HIS A 51 -4.588 -6.447 10.000 1.00 0.00 C ATOM 722 O HIS A 51 -4.156 -6.667 11.132 1.00 0.00 O ATOM 723 CB HIS A 51 -5.467 -7.899 8.163 1.00 0.00 C ATOM 724 CG HIS A 51 -6.322 -8.713 9.084 1.00 0.00 C ATOM 725 ND1 HIS A 51 -7.390 -8.187 9.781 1.00 0.00 N ATOM 726 CD2 HIS A 51 -6.263 -10.023 9.421 1.00 0.00 C ATOM 727 CE1 HIS A 51 -7.950 -9.138 10.507 1.00 0.00 C ATOM 728 NE2 HIS A 51 -7.285 -10.262 10.306 1.00 0.00 N ATOM 0 H HIS A 51 -3.815 -9.338 9.349 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.653 -6.749 8.102 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.056 -7.069 7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.178 -8.514 7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.546 -10.745 9.061 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.806 -9.017 11.155 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.497 -11.161 10.738 1.00 0.00 H new ATOM 737 N PHE A 52 -5.401 -5.432 9.722 1.00 0.00 N ATOM 738 CA PHE A 52 -5.840 -4.499 10.753 1.00 0.00 C ATOM 739 C PHE A 52 -4.646 -3.806 11.403 1.00 0.00 C ATOM 740 O PHE A 52 -4.681 -3.463 12.585 1.00 0.00 O ATOM 741 CB PHE A 52 -6.659 -5.231 11.818 1.00 0.00 C ATOM 742 CG PHE A 52 -7.188 -4.327 12.894 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.176 -3.397 12.613 1.00 0.00 C ATOM 744 CD2 PHE A 52 -6.697 -4.407 14.188 1.00 0.00 C ATOM 745 CE1 PHE A 52 -8.665 -2.563 13.601 1.00 0.00 C ATOM 746 CE2 PHE A 52 -7.182 -3.576 15.180 1.00 0.00 C ATOM 747 CZ PHE A 52 -8.166 -2.653 14.886 1.00 0.00 C ATOM 0 H PHE A 52 -5.769 -5.235 8.791 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.465 -3.742 10.280 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.495 -5.738 11.337 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.039 -6.002 12.275 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.569 -3.323 11.610 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.927 -5.127 14.423 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.435 -1.843 13.369 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.792 -3.648 16.184 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.545 -2.002 15.660 1.00 0.00 H new ATOM 757 N ASP A 53 -3.591 -3.603 10.622 1.00 0.00 N ATOM 758 CA ASP A 53 -2.385 -2.950 11.119 1.00 0.00 C ATOM 759 C ASP A 53 -1.824 -1.982 10.082 1.00 0.00 C ATOM 760 O ASP A 53 -2.085 -2.118 8.887 1.00 0.00 O ATOM 761 CB ASP A 53 -1.328 -3.993 11.486 1.00 0.00 C ATOM 762 CG ASP A 53 -1.865 -5.055 12.425 1.00 0.00 C ATOM 763 OD1 ASP A 53 -2.427 -4.687 13.478 1.00 0.00 O ATOM 764 OD2 ASP A 53 -1.722 -6.255 12.108 1.00 0.00 O ATOM 0 H ASP A 53 -3.546 -3.881 9.642 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.650 -2.384 12.012 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.960 -4.468 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.478 -3.496 11.953 1.00 0.00 H new ATOM 769 N TRP A 54 -1.055 -1.005 10.548 1.00 0.00 N ATOM 770 CA TRP A 54 -0.458 -0.013 9.660 1.00 0.00 C ATOM 771 C TRP A 54 0.888 -0.496 9.131 1.00 0.00 C ATOM 772 O TRP A 54 1.744 -0.939 9.897 1.00 0.00 O ATOM 773 CB TRP A 54 -0.283 1.318 10.393 1.00 0.00 C ATOM 774 CG TRP A 54 -1.577 2.029 10.649 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.640 1.564 11.370 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.946 3.332 10.184 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.647 2.499 11.381 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.245 3.593 10.661 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.304 4.305 9.413 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.912 4.785 10.390 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.967 5.487 9.144 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.260 5.719 9.632 1.00 0.00 C ATOM 0 H TRP A 54 -0.830 -0.878 11.535 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.130 0.131 8.814 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.219 1.138 11.344 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.369 1.965 9.806 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.683 0.602 11.860 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.547 2.395 11.849 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.307 4.136 9.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.909 4.966 10.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.481 6.245 8.548 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.752 6.654 9.405 1.00 0.00 H new ATOM 793 N TRP A 55 1.068 -0.408 7.818 1.00 0.00 N ATOM 794 CA TRP A 55 2.311 -0.837 7.187 1.00 0.00 C ATOM 795 C TRP A 55 3.059 0.352 6.595 1.00 0.00 C ATOM 796 O TRP A 55 2.537 1.465 6.552 1.00 0.00 O ATOM 797 CB TRP A 55 2.024 -1.870 6.096 1.00 0.00 C ATOM 798 CG TRP A 55 1.418 -3.136 6.622 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.420 -3.569 7.917 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.725 -4.133 5.864 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.769 -4.776 8.010 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.333 -5.143 6.764 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.396 -4.271 4.513 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.370 -6.273 6.355 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.301 -5.393 4.108 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.679 -6.382 5.026 1.00 0.00 C ATOM 0 H TRP A 55 0.370 -0.044 7.170 1.00 0.00 H new ATOM 0 HA TRP A 55 2.939 -1.293 7.952 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.351 -1.432 5.359 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.953 -2.108 5.578 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.867 -3.041 8.746 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.633 -5.312 8.867 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.682 -3.514 3.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.661 -7.036 7.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.559 -5.510 3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.225 -7.247 4.678 1.00 0.00 H new ATOM 817 N GLU A 56 4.284 0.108 6.139 1.00 0.00 N ATOM 818 CA GLU A 56 5.103 1.161 5.549 1.00 0.00 C ATOM 819 C GLU A 56 5.376 0.877 4.075 1.00 0.00 C ATOM 820 O GLU A 56 6.067 -0.082 3.734 1.00 0.00 O ATOM 821 CB GLU A 56 6.425 1.294 6.307 1.00 0.00 C ATOM 822 CG GLU A 56 7.126 2.623 6.080 1.00 0.00 C ATOM 823 CD GLU A 56 8.379 2.773 6.921 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.390 2.115 6.602 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.347 3.551 7.898 1.00 0.00 O ATOM 0 H GLU A 56 4.731 -0.809 6.167 1.00 0.00 H new ATOM 0 HA GLU A 56 4.553 2.099 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.237 1.170 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.090 0.485 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.387 2.716 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.438 3.436 6.311 1.00 0.00 H new ATOM 832 N GLY A 57 4.825 1.718 3.204 1.00 0.00 N ATOM 833 CA GLY A 57 5.020 1.540 1.777 1.00 0.00 C ATOM 834 C GLY A 57 5.529 2.797 1.100 1.00 0.00 C ATOM 835 O GLY A 57 5.729 3.824 1.750 1.00 0.00 O ATOM 0 H GLY A 57 4.248 2.519 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.728 0.728 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.077 1.241 1.319 1.00 0.00 H new ATOM 839 N LYS A 58 5.741 2.718 -0.209 1.00 0.00 N ATOM 840 CA LYS A 58 6.231 3.858 -0.975 1.00 0.00 C ATOM 841 C LYS A 58 5.355 4.107 -2.199 1.00 0.00 C ATOM 842 O LYS A 58 4.921 3.167 -2.867 1.00 0.00 O ATOM 843 CB LYS A 58 7.679 3.621 -1.410 1.00 0.00 C ATOM 844 CG LYS A 58 8.701 3.988 -0.348 1.00 0.00 C ATOM 845 CD LYS A 58 9.958 3.144 -0.469 1.00 0.00 C ATOM 846 CE LYS A 58 10.917 3.717 -1.501 1.00 0.00 C ATOM 847 NZ LYS A 58 11.851 4.709 -0.900 1.00 0.00 N ATOM 0 H LYS A 58 5.581 1.876 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 58 6.190 4.740 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.803 2.571 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.879 4.202 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.960 5.043 -0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.264 3.852 0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.455 3.089 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.688 2.125 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.489 2.907 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.349 4.192 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.488 5.076 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.306 5.495 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.412 4.250 -0.154 1.00 0.00 H new ATOM 861 N LEU A 59 5.100 5.378 -2.490 1.00 0.00 N ATOM 862 CA LEU A 59 4.278 5.751 -3.636 1.00 0.00 C ATOM 863 C LEU A 59 4.833 6.994 -4.323 1.00 0.00 C ATOM 864 O LEU A 59 5.091 8.010 -3.677 1.00 0.00 O ATOM 865 CB LEU A 59 2.835 6.000 -3.193 1.00 0.00 C ATOM 866 CG LEU A 59 1.870 6.471 -4.282 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.641 5.368 -5.304 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.550 6.915 -3.669 1.00 0.00 C ATOM 0 H LEU A 59 5.451 6.168 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 59 4.296 4.927 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.444 5.078 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.844 6.744 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 59 2.316 7.325 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.952 5.720 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.590 5.097 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.216 4.495 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.124 7.247 -4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.098 6.080 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.729 7.737 -2.976 1.00 0.00 H new ATOM 880 N ARG A 60 5.013 6.906 -5.637 1.00 0.00 N ATOM 881 CA ARG A 60 5.537 8.024 -6.413 1.00 0.00 C ATOM 882 C ARG A 60 6.755 8.637 -5.729 1.00 0.00 C ATOM 883 O ARG A 60 6.965 9.848 -5.780 1.00 0.00 O ATOM 884 CB ARG A 60 4.456 9.090 -6.604 1.00 0.00 C ATOM 885 CG ARG A 60 3.464 8.760 -7.708 1.00 0.00 C ATOM 886 CD ARG A 60 2.099 9.371 -7.430 1.00 0.00 C ATOM 887 NE ARG A 60 1.975 10.712 -7.993 1.00 0.00 N ATOM 888 CZ ARG A 60 0.812 11.275 -8.303 1.00 0.00 C ATOM 889 NH1 ARG A 60 -0.320 10.615 -8.105 1.00 0.00 N ATOM 890 NH2 ARG A 60 0.781 12.500 -8.812 1.00 0.00 N ATOM 0 H ARG A 60 4.804 6.072 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 60 5.842 7.646 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.914 9.218 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.934 10.044 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.842 9.130 -8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.368 7.678 -7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.323 8.729 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.933 9.413 -6.354 1.00 0.00 H new ATOM 0 HE ARG A 60 2.828 11.246 -8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.300 9.673 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.212 11.049 -8.344 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.651 13.011 -8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.112 12.931 -9.050 1.00 0.00 H new ATOM 904 N GLY A 61 7.556 7.790 -5.088 1.00 0.00 N ATOM 905 CA GLY A 61 8.743 8.267 -4.402 1.00 0.00 C ATOM 906 C GLY A 61 8.480 8.592 -2.945 1.00 0.00 C ATOM 907 O GLY A 61 9.380 8.502 -2.111 1.00 0.00 O ATOM 0 H GLY A 61 7.404 6.783 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.525 7.510 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.118 9.157 -4.908 1.00 0.00 H new ATOM 911 N GLN A 62 7.243 8.971 -2.639 1.00 0.00 N ATOM 912 CA GLN A 62 6.866 9.313 -1.273 1.00 0.00 C ATOM 913 C GLN A 62 6.904 8.082 -0.374 1.00 0.00 C ATOM 914 O GLN A 62 6.928 6.948 -0.855 1.00 0.00 O ATOM 915 CB GLN A 62 5.468 9.935 -1.248 1.00 0.00 C ATOM 916 CG GLN A 62 5.374 11.251 -2.003 1.00 0.00 C ATOM 917 CD GLN A 62 3.943 11.654 -2.296 1.00 0.00 C ATOM 918 OE1 GLN A 62 3.162 11.923 -1.383 1.00 0.00 O ATOM 919 NE2 GLN A 62 3.590 11.700 -3.575 1.00 0.00 N ATOM 0 H GLN A 62 6.486 9.049 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 62 7.586 10.039 -0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.757 9.228 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.170 10.098 -0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.856 12.035 -1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.923 11.168 -2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.269 11.469 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.640 11.966 -3.833 1.00 0.00 H new ATOM 928 N THR A 63 6.909 8.311 0.936 1.00 0.00 N ATOM 929 CA THR A 63 6.945 7.221 1.903 1.00 0.00 C ATOM 930 C THR A 63 6.200 7.593 3.179 1.00 0.00 C ATOM 931 O THR A 63 6.249 8.738 3.628 1.00 0.00 O ATOM 932 CB THR A 63 8.393 6.836 2.261 1.00 0.00 C ATOM 933 OG1 THR A 63 9.199 6.804 1.077 1.00 0.00 O ATOM 934 CG2 THR A 63 8.438 5.480 2.948 1.00 0.00 C ATOM 0 H THR A 63 6.889 9.242 1.351 1.00 0.00 H new ATOM 0 HA THR A 63 6.455 6.367 1.435 1.00 0.00 H new ATOM 0 HB THR A 63 8.786 7.586 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.118 6.560 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.471 5.229 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.848 5.516 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.028 4.721 2.282 1.00 0.00 H new ATOM 942 N GLY A 64 5.509 6.618 3.762 1.00 0.00 N ATOM 943 CA GLY A 64 4.764 6.863 4.982 1.00 0.00 C ATOM 944 C GLY A 64 4.062 5.621 5.493 1.00 0.00 C ATOM 945 O GLY A 64 4.288 4.521 4.988 1.00 0.00 O ATOM 0 H GLY A 64 5.452 5.662 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.443 7.235 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.027 7.645 4.803 1.00 0.00 H new ATOM 949 N ILE A 65 3.211 5.795 6.499 1.00 0.00 N ATOM 950 CA ILE A 65 2.476 4.678 7.079 1.00 0.00 C ATOM 951 C ILE A 65 1.002 4.730 6.692 1.00 0.00 C ATOM 952 O ILE A 65 0.430 5.808 6.528 1.00 0.00 O ATOM 953 CB ILE A 65 2.592 4.663 8.614 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.079 5.981 9.198 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.033 4.417 9.034 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.569 5.856 10.617 1.00 0.00 C ATOM 0 H ILE A 65 3.014 6.699 6.929 1.00 0.00 H new ATOM 0 HA ILE A 65 2.922 3.767 6.681 1.00 0.00 H new ATOM 0 HB ILE A 65 1.977 3.851 9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.882 6.717 9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.278 6.362 8.565 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.099 4.409 10.122 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.367 3.456 8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.668 5.210 8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.222 6.829 10.966 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.744 5.144 10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.374 5.505 11.263 1.00 0.00 H new ATOM 968 N PHE A 66 0.391 3.559 6.549 1.00 0.00 N ATOM 969 CA PHE A 66 -1.018 3.470 6.182 1.00 0.00 C ATOM 970 C PHE A 66 -1.604 2.124 6.597 1.00 0.00 C ATOM 971 O PHE A 66 -0.907 1.113 6.676 1.00 0.00 O ATOM 972 CB PHE A 66 -1.188 3.671 4.675 1.00 0.00 C ATOM 973 CG PHE A 66 -0.609 2.555 3.853 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.731 2.558 3.502 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.406 1.503 3.430 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.266 1.533 2.745 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.877 0.475 2.673 1.00 0.00 C ATOM 978 CZ PHE A 66 0.461 0.490 2.331 1.00 0.00 C ATOM 0 H PHE A 66 0.850 2.658 6.682 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.556 4.258 6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.249 3.767 4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.714 4.609 4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.365 3.371 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.453 1.486 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.312 1.548 2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.509 -0.339 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.877 -0.313 1.741 1.00 0.00 H new ATOM 988 N PRO A 67 -2.918 2.110 6.868 1.00 0.00 N ATOM 989 CA PRO A 67 -3.628 0.895 7.280 1.00 0.00 C ATOM 990 C PRO A 67 -3.752 -0.116 6.145 1.00 0.00 C ATOM 991 O PRO A 67 -4.278 0.197 5.077 1.00 0.00 O ATOM 992 CB PRO A 67 -5.009 1.413 7.688 1.00 0.00 C ATOM 993 CG PRO A 67 -5.183 2.677 6.918 1.00 0.00 C ATOM 994 CD PRO A 67 -3.811 3.279 6.795 1.00 0.00 C ATOM 0 HA PRO A 67 -3.104 0.366 8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.790 0.692 7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.063 1.593 8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.612 2.480 5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.863 3.357 7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.691 3.818 5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.610 3.989 7.597 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.266 -1.329 6.384 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.325 -2.387 5.382 1.00 0.00 C ATOM 1004 C ALA A 68 -4.760 -2.640 4.935 1.00 0.00 C ATOM 1005 O ALA A 68 -5.006 -3.025 3.793 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.706 -3.665 5.928 1.00 0.00 C ATOM 0 H ALA A 68 -2.827 -1.604 7.263 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.754 -2.063 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.757 -4.447 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.664 -3.481 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.253 -3.984 6.815 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.705 -2.422 5.844 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.117 -2.628 5.543 1.00 0.00 C ATOM 1014 C ASN A 69 -7.565 -1.732 4.392 1.00 0.00 C ATOM 1015 O ASN A 69 -8.605 -1.967 3.777 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.970 -2.349 6.783 1.00 0.00 C ATOM 1017 CG ASN A 69 -7.829 -3.430 7.837 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -7.234 -4.478 7.591 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -8.379 -3.178 9.019 1.00 0.00 N ATOM 0 H ASN A 69 -5.519 -2.103 6.795 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.251 -3.668 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.681 -1.389 7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.016 -2.266 6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.317 -3.868 9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.863 -2.294 9.178 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.771 -0.706 4.106 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.086 0.226 3.030 1.00 0.00 C ATOM 1028 C TYR A 70 -6.485 -0.244 1.708 1.00 0.00 C ATOM 1029 O TYR A 70 -6.635 0.410 0.677 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.567 1.624 3.369 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.567 2.475 4.119 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.115 2.042 5.320 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.962 3.713 3.627 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.029 2.817 6.008 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.874 4.495 4.309 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.405 4.042 5.499 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.315 4.817 6.182 1.00 0.00 O ATOM 0 H TYR A 70 -5.905 -0.499 4.604 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.170 0.264 2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.661 1.531 3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.289 2.133 2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.822 1.084 5.723 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.549 4.070 2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.447 2.465 6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.170 5.455 3.913 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.471 5.650 5.689 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.805 -1.385 1.748 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.182 -1.946 0.555 1.00 0.00 C ATOM 1049 C VAL A 71 -5.430 -3.447 0.460 1.00 0.00 C ATOM 1050 O VAL A 71 -5.925 -4.068 1.401 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.664 -1.686 0.539 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.376 -0.197 0.658 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.979 -2.461 1.655 1.00 0.00 C ATOM 0 H VAL A 71 -5.671 -1.939 2.594 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.637 -1.450 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.263 -2.034 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.299 -0.033 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.834 0.330 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.789 0.180 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.907 -2.266 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.382 -2.146 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.157 -3.528 1.519 1.00 0.00 H new ATOM 1063 N THR A 72 -5.083 -4.028 -0.685 1.00 0.00 N ATOM 1064 CA THR A 72 -5.269 -5.456 -0.905 1.00 0.00 C ATOM 1065 C THR A 72 -4.026 -6.083 -1.527 1.00 0.00 C ATOM 1066 O THR A 72 -3.108 -5.379 -1.946 1.00 0.00 O ATOM 1067 CB THR A 72 -6.480 -5.732 -1.816 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.736 -7.139 -1.879 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.237 -5.193 -3.218 1.00 0.00 C ATOM 0 H THR A 72 -4.671 -3.530 -1.474 1.00 0.00 H new ATOM 0 HA THR A 72 -5.449 -5.905 0.072 1.00 0.00 H new ATOM 0 HB THR A 72 -7.347 -5.224 -1.393 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.508 -7.305 -2.459 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.106 -5.400 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.072 -4.117 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.359 -5.676 -3.646 1.00 0.00 H new