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 Set 1.1: A 48 THR OG1 : rot 116:sc= 0.0154 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.0323 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= 0.186 USER MOD Single : A 35 ASN : amide:sc= -3.58 K(o=-3.6,f=-8.6!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.7) 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+ -157:sc= 0.333 (180deg=0.135) USER MOD Single : A 51 HIS : no HD1:sc= -0.211 K(o=-0.21,f=-0.81) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.9!) USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00715 USER MOD Single : A 69 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.35) 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 10.276 -6.015 -2.184 1.00 0.00 N ATOM 211 CA PRO A 17 9.064 -5.371 -1.670 1.00 0.00 C ATOM 212 C PRO A 17 7.792 -5.978 -2.253 1.00 0.00 C ATOM 213 O PRO A 17 7.847 -6.769 -3.195 1.00 0.00 O ATOM 214 CB PRO A 17 9.217 -3.916 -2.121 1.00 0.00 C ATOM 215 CG PRO A 17 10.099 -3.982 -3.320 1.00 0.00 C ATOM 216 CD PRO A 17 11.040 -5.130 -3.079 1.00 0.00 C ATOM 0 HA PRO A 17 8.966 -5.490 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.251 -3.473 -2.364 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.661 -3.303 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.514 -4.140 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.647 -3.049 -3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.307 -5.632 -4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.970 -4.797 -2.618 1.00 0.00 H new ATOM 224 N ILE A 18 6.650 -5.604 -1.687 1.00 0.00 N ATOM 225 CA ILE A 18 5.365 -6.111 -2.152 1.00 0.00 C ATOM 226 C ILE A 18 4.542 -5.007 -2.806 1.00 0.00 C ATOM 227 O ILE A 18 4.680 -3.832 -2.464 1.00 0.00 O ATOM 228 CB ILE A 18 4.552 -6.728 -0.999 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.469 -7.526 -0.069 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.444 -7.615 -1.547 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.802 -7.948 1.221 1.00 0.00 C ATOM 0 H ILE A 18 6.588 -4.951 -0.905 1.00 0.00 H new ATOM 0 HA ILE A 18 5.580 -6.885 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 18 4.095 -5.922 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.821 -8.414 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.347 -6.925 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.878 -8.044 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.778 -7.021 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.881 -8.417 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.511 -8.509 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.474 -7.064 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.940 -8.576 0.996 1.00 0.00 H new ATOM 243 N GLU A 19 3.684 -5.392 -3.746 1.00 0.00 N ATOM 244 CA GLU A 19 2.838 -4.433 -4.446 1.00 0.00 C ATOM 245 C GLU A 19 1.367 -4.660 -4.111 1.00 0.00 C ATOM 246 O GLU A 19 0.847 -5.766 -4.263 1.00 0.00 O ATOM 247 CB GLU A 19 3.050 -4.540 -5.958 1.00 0.00 C ATOM 248 CG GLU A 19 4.204 -3.695 -6.472 1.00 0.00 C ATOM 249 CD GLU A 19 4.364 -3.781 -7.977 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.336 -3.764 -8.686 1.00 0.00 O ATOM 251 OE2 GLU A 19 5.519 -3.865 -8.446 1.00 0.00 O ATOM 0 H GLU A 19 3.557 -6.360 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 19 3.118 -3.432 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.230 -5.583 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.135 -4.238 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.044 -2.655 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.128 -4.019 -5.993 1.00 0.00 H new ATOM 258 N VAL A 20 0.701 -3.605 -3.653 1.00 0.00 N ATOM 259 CA VAL A 20 -0.711 -3.687 -3.296 1.00 0.00 C ATOM 260 C VAL A 20 -1.500 -2.534 -3.906 1.00 0.00 C ATOM 261 O VAL A 20 -0.965 -1.446 -4.121 1.00 0.00 O ATOM 262 CB VAL A 20 -0.905 -3.677 -1.768 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.504 -5.017 -1.170 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.110 -2.543 -1.138 1.00 0.00 C ATOM 0 H VAL A 20 1.116 -2.683 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.084 -4.630 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.961 -3.513 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.648 -4.991 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.121 -5.806 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.545 -5.215 -1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.259 -2.551 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.949 -2.674 -1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.450 -1.591 -1.544 1.00 0.00 H new ATOM 274 N THR A 21 -2.777 -2.779 -4.182 1.00 0.00 N ATOM 275 CA THR A 21 -3.641 -1.762 -4.767 1.00 0.00 C ATOM 276 C THR A 21 -4.547 -1.137 -3.713 1.00 0.00 C ATOM 277 O THR A 21 -5.238 -1.841 -2.977 1.00 0.00 O ATOM 278 CB THR A 21 -4.513 -2.346 -5.895 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.693 -3.056 -6.830 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.275 -1.245 -6.616 1.00 0.00 C ATOM 0 H THR A 21 -3.236 -3.674 -4.010 1.00 0.00 H new ATOM 0 HA THR A 21 -2.988 -0.995 -5.182 1.00 0.00 H new ATOM 0 HB THR A 21 -5.233 -3.032 -5.449 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.255 -3.426 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.883 -1.682 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.920 -0.725 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.568 -0.538 -7.050 1.00 0.00 H new ATOM 288 N ALA A 22 -4.540 0.191 -3.645 1.00 0.00 N ATOM 289 CA ALA A 22 -5.363 0.911 -2.682 1.00 0.00 C ATOM 290 C ALA A 22 -6.846 0.763 -3.008 1.00 0.00 C ATOM 291 O ALA A 22 -7.318 1.249 -4.036 1.00 0.00 O ATOM 292 CB ALA A 22 -4.973 2.381 -2.649 1.00 0.00 C ATOM 0 H ALA A 22 -3.973 0.789 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.189 0.478 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.596 2.907 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.926 2.473 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.117 2.818 -3.637 1.00 0.00 H new ATOM 298 N LEU A 23 -7.575 0.087 -2.127 1.00 0.00 N ATOM 299 CA LEU A 23 -9.005 -0.126 -2.321 1.00 0.00 C ATOM 300 C LEU A 23 -9.777 1.179 -2.160 1.00 0.00 C ATOM 301 O LEU A 23 -10.826 1.372 -2.775 1.00 0.00 O ATOM 302 CB LEU A 23 -9.526 -1.166 -1.327 1.00 0.00 C ATOM 303 CG LEU A 23 -8.895 -2.556 -1.418 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.472 -3.475 -0.352 1.00 0.00 C ATOM 305 CD2 LEU A 23 -9.106 -3.147 -2.804 1.00 0.00 C ATOM 0 H LEU A 23 -7.200 -0.323 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.157 -0.494 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.372 -0.784 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.602 -1.267 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.823 -2.460 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.011 -4.460 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.270 -3.059 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.549 -3.566 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.651 -4.136 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.174 -3.229 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.645 -2.499 -3.550 1.00 0.00 H new ATOM 317 N TYR A 24 -9.251 2.073 -1.330 1.00 0.00 N ATOM 318 CA TYR A 24 -9.891 3.361 -1.087 1.00 0.00 C ATOM 319 C TYR A 24 -8.851 4.468 -0.948 1.00 0.00 C ATOM 320 O TYR A 24 -7.678 4.204 -0.685 1.00 0.00 O ATOM 321 CB TYR A 24 -10.754 3.295 0.174 1.00 0.00 C ATOM 322 CG TYR A 24 -11.643 2.073 0.237 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.858 2.038 -0.437 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.268 0.955 0.970 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.673 0.924 -0.382 1.00 0.00 C ATOM 326 CE2 TYR A 24 -12.076 -0.164 1.029 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.278 -0.174 0.352 1.00 0.00 C ATOM 328 OH TYR A 24 -14.086 -1.286 0.410 1.00 0.00 O ATOM 0 H TYR A 24 -8.383 1.930 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.526 3.590 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.105 3.307 1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.375 4.189 0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.170 2.896 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.329 0.960 1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.614 0.913 -0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.768 -1.026 1.602 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.661 -1.971 0.968 1.00 0.00 H new ATOM 338 N SER A 25 -9.291 5.710 -1.126 1.00 0.00 N ATOM 339 CA SER A 25 -8.399 6.859 -1.024 1.00 0.00 C ATOM 340 C SER A 25 -8.058 7.154 0.434 1.00 0.00 C ATOM 341 O SER A 25 -8.817 6.816 1.342 1.00 0.00 O ATOM 342 CB SER A 25 -9.041 8.089 -1.668 1.00 0.00 C ATOM 343 OG SER A 25 -9.562 7.780 -2.949 1.00 0.00 O ATOM 0 H SER A 25 -10.260 5.946 -1.342 1.00 0.00 H new ATOM 0 HA SER A 25 -7.477 6.620 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.840 8.464 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.302 8.886 -1.755 1.00 0.00 H new ATOM 0 HG SER A 25 -9.968 8.582 -3.339 1.00 0.00 H new ATOM 349 N PHE A 26 -6.909 7.786 0.650 1.00 0.00 N ATOM 350 CA PHE A 26 -6.465 8.127 1.997 1.00 0.00 C ATOM 351 C PHE A 26 -5.561 9.356 1.977 1.00 0.00 C ATOM 352 O PHE A 26 -4.952 9.674 0.956 1.00 0.00 O ATOM 353 CB PHE A 26 -5.725 6.945 2.627 1.00 0.00 C ATOM 354 CG PHE A 26 -5.082 7.273 3.944 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.822 7.250 5.115 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.739 7.607 4.010 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.233 7.551 6.329 1.00 0.00 C ATOM 358 CE2 PHE A 26 -3.145 7.908 5.221 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.893 7.882 6.382 1.00 0.00 C ATOM 0 H PHE A 26 -6.268 8.072 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.346 8.356 2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.426 6.122 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.959 6.596 1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.871 6.994 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.150 7.632 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.820 7.527 7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.096 8.163 5.260 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.431 8.120 7.329 1.00 0.00 H new ATOM 369 N GLU A 27 -5.480 10.042 3.113 1.00 0.00 N ATOM 370 CA GLU A 27 -4.651 11.236 3.225 1.00 0.00 C ATOM 371 C GLU A 27 -3.984 11.308 4.596 1.00 0.00 C ATOM 372 O GLU A 27 -4.638 11.572 5.604 1.00 0.00 O ATOM 373 CB GLU A 27 -5.493 12.492 2.989 1.00 0.00 C ATOM 374 CG GLU A 27 -5.684 12.830 1.520 1.00 0.00 C ATOM 375 CD GLU A 27 -6.319 14.191 1.313 1.00 0.00 C ATOM 376 OE1 GLU A 27 -7.530 14.329 1.582 1.00 0.00 O ATOM 377 OE2 GLU A 27 -5.603 15.119 0.881 1.00 0.00 O ATOM 0 H GLU A 27 -5.978 9.792 3.967 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.873 11.180 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.470 12.356 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.018 13.336 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.718 12.804 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.308 12.067 1.054 1.00 0.00 H new ATOM 384 N GLY A 28 -2.676 11.071 4.624 1.00 0.00 N ATOM 385 CA GLY A 28 -1.941 11.112 5.875 1.00 0.00 C ATOM 386 C GLY A 28 -2.273 12.339 6.701 1.00 0.00 C ATOM 387 O GLY A 28 -1.788 13.434 6.420 1.00 0.00 O ATOM 0 H GLY A 28 -2.112 10.851 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.165 10.216 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.871 11.097 5.665 1.00 0.00 H new ATOM 439 N GLY A 32 4.223 12.321 8.521 1.00 0.00 N ATOM 440 CA GLY A 32 4.997 11.117 8.279 1.00 0.00 C ATOM 441 C GLY A 32 4.211 10.066 7.520 1.00 0.00 C ATOM 442 O GLY A 32 4.788 9.245 6.806 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.894 11.373 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.326 10.703 9.232 1.00 0.00 H new ATOM 446 N ASP A 33 2.893 10.088 7.676 1.00 0.00 N ATOM 447 CA ASP A 33 2.026 9.129 7.001 1.00 0.00 C ATOM 448 C ASP A 33 2.176 9.234 5.486 1.00 0.00 C ATOM 449 O ASP A 33 2.965 10.036 4.984 1.00 0.00 O ATOM 450 CB ASP A 33 0.567 9.358 7.398 1.00 0.00 C ATOM 451 CG ASP A 33 0.340 9.192 8.888 1.00 0.00 C ATOM 452 OD1 ASP A 33 0.751 10.087 9.654 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.248 8.165 9.288 1.00 0.00 O ATOM 0 H ASP A 33 2.400 10.760 8.264 1.00 0.00 H new ATOM 0 HA ASP A 33 2.325 8.127 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.265 10.361 7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.068 8.657 6.856 1.00 0.00 H new ATOM 458 N LEU A 34 1.416 8.418 4.764 1.00 0.00 N ATOM 459 CA LEU A 34 1.465 8.418 3.306 1.00 0.00 C ATOM 460 C LEU A 34 0.091 8.718 2.715 1.00 0.00 C ATOM 461 O LEU A 34 -0.926 8.227 3.204 1.00 0.00 O ATOM 462 CB LEU A 34 1.970 7.068 2.793 1.00 0.00 C ATOM 463 CG LEU A 34 2.040 6.911 1.274 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.367 7.430 0.744 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.838 5.455 0.878 1.00 0.00 C ATOM 0 H LEU A 34 0.759 7.748 5.164 1.00 0.00 H new ATOM 0 HA LEU A 34 2.155 9.201 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.965 6.896 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.323 6.286 3.190 1.00 0.00 H new ATOM 0 HG LEU A 34 1.239 7.502 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.398 7.310 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.471 8.486 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.184 6.867 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.891 5.362 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.617 4.843 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.861 5.116 1.224 1.00 0.00 H new ATOM 477 N ASN A 35 0.070 9.525 1.660 1.00 0.00 N ATOM 478 CA ASN A 35 -1.179 9.889 1.001 1.00 0.00 C ATOM 479 C ASN A 35 -1.319 9.167 -0.336 1.00 0.00 C ATOM 480 O ASN A 35 -0.473 9.305 -1.220 1.00 0.00 O ATOM 481 CB ASN A 35 -1.245 11.402 0.785 1.00 0.00 C ATOM 482 CG ASN A 35 -1.175 12.175 2.088 1.00 0.00 C ATOM 483 OD1 ASN A 35 -2.195 12.619 2.615 1.00 0.00 O ATOM 484 ND2 ASN A 35 0.033 12.340 2.615 1.00 0.00 N ATOM 0 H ASN A 35 0.903 9.939 1.243 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.003 9.585 1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.424 11.710 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.170 11.652 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.142 12.852 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.852 11.955 2.144 1.00 0.00 H new ATOM 491 N PHE A 36 -2.393 8.398 -0.477 1.00 0.00 N ATOM 492 CA PHE A 36 -2.645 7.654 -1.706 1.00 0.00 C ATOM 493 C PHE A 36 -4.104 7.785 -2.133 1.00 0.00 C ATOM 494 O PHE A 36 -4.906 8.419 -1.448 1.00 0.00 O ATOM 495 CB PHE A 36 -2.288 6.178 -1.516 1.00 0.00 C ATOM 496 CG PHE A 36 -2.990 5.536 -0.354 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.506 5.691 0.936 1.00 0.00 C ATOM 498 CD2 PHE A 36 -4.134 4.780 -0.550 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.150 5.101 2.007 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.782 4.188 0.518 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.290 4.349 1.798 1.00 0.00 C ATOM 0 H PHE A 36 -3.103 8.273 0.244 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.016 8.075 -2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.536 5.632 -2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.211 6.088 -1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.616 6.279 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.524 4.652 -1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.762 5.228 3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.672 3.600 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.795 3.888 2.634 1.00 0.00 H new ATOM 511 N GLN A 37 -4.439 7.182 -3.269 1.00 0.00 N ATOM 512 CA GLN A 37 -5.800 7.232 -3.787 1.00 0.00 C ATOM 513 C GLN A 37 -6.265 5.850 -4.233 1.00 0.00 C ATOM 514 O GLN A 37 -5.457 5.011 -4.631 1.00 0.00 O ATOM 515 CB GLN A 37 -5.887 8.214 -4.957 1.00 0.00 C ATOM 516 CG GLN A 37 -5.597 9.654 -4.566 1.00 0.00 C ATOM 517 CD GLN A 37 -5.825 10.626 -5.707 1.00 0.00 C ATOM 518 OE1 GLN A 37 -6.723 10.438 -6.528 1.00 0.00 O ATOM 519 NE2 GLN A 37 -5.011 11.674 -5.764 1.00 0.00 N ATOM 0 H GLN A 37 -3.786 6.653 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.454 7.574 -2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.183 7.908 -5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.884 8.159 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.231 9.933 -3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.564 9.733 -4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.280 11.791 -5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.117 12.362 -6.509 1.00 0.00 H new ATOM 528 N ALA A 38 -7.572 5.619 -4.163 1.00 0.00 N ATOM 529 CA ALA A 38 -8.144 4.339 -4.561 1.00 0.00 C ATOM 530 C ALA A 38 -7.594 3.887 -5.909 1.00 0.00 C ATOM 531 O ALA A 38 -7.987 4.402 -6.955 1.00 0.00 O ATOM 532 CB ALA A 38 -9.662 4.432 -4.613 1.00 0.00 C ATOM 0 H ALA A 38 -8.255 6.302 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.862 3.596 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.076 3.469 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.044 4.701 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.955 5.193 -5.336 1.00 0.00 H new ATOM 538 N GLY A 39 -6.681 2.921 -5.877 1.00 0.00 N ATOM 539 CA GLY A 39 -6.091 2.416 -7.104 1.00 0.00 C ATOM 540 C GLY A 39 -4.583 2.569 -7.127 1.00 0.00 C ATOM 541 O GLY A 39 -3.874 1.718 -7.664 1.00 0.00 O ATOM 0 H GLY A 39 -6.339 2.479 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.348 1.363 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.520 2.945 -7.955 1.00 0.00 H new ATOM 545 N ASP A 40 -4.091 3.657 -6.544 1.00 0.00 N ATOM 546 CA ASP A 40 -2.657 3.919 -6.501 1.00 0.00 C ATOM 547 C ASP A 40 -1.905 2.731 -5.907 1.00 0.00 C ATOM 548 O ASP A 40 -2.229 2.262 -4.816 1.00 0.00 O ATOM 549 CB ASP A 40 -2.372 5.179 -5.683 1.00 0.00 C ATOM 550 CG ASP A 40 -2.433 6.440 -6.523 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.256 6.488 -7.461 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.658 7.379 -6.243 1.00 0.00 O ATOM 0 H ASP A 40 -4.664 4.371 -6.095 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.310 4.072 -7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.094 5.252 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.386 5.097 -5.227 1.00 0.00 H new ATOM 557 N ARG A 41 -0.902 2.250 -6.633 1.00 0.00 N ATOM 558 CA ARG A 41 -0.106 1.116 -6.178 1.00 0.00 C ATOM 559 C ARG A 41 0.957 1.563 -5.179 1.00 0.00 C ATOM 560 O ARG A 41 1.777 2.432 -5.477 1.00 0.00 O ATOM 561 CB ARG A 41 0.558 0.422 -7.369 1.00 0.00 C ATOM 562 CG ARG A 41 -0.407 -0.391 -8.216 1.00 0.00 C ATOM 563 CD ARG A 41 -1.263 0.504 -9.100 1.00 0.00 C ATOM 564 NE ARG A 41 -0.464 1.217 -10.092 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.048 0.673 -11.230 1.00 0.00 C ATOM 566 NH1 ARG A 41 -0.354 -0.585 -11.518 1.00 0.00 N ATOM 567 NH2 ARG A 41 0.676 1.386 -12.083 1.00 0.00 N ATOM 0 H ARG A 41 -0.621 2.627 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.773 0.412 -5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.035 1.174 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.348 -0.234 -7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.153 -1.090 -8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.050 -0.986 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.016 -0.100 -9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.797 1.224 -8.479 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.211 2.186 -9.901 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.910 -1.137 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.033 -1.000 -12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.914 2.354 -11.865 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.995 0.966 -12.956 1.00 0.00 H new ATOM 581 N ILE A 42 0.936 0.964 -3.993 1.00 0.00 N ATOM 582 CA ILE A 42 1.898 1.300 -2.951 1.00 0.00 C ATOM 583 C ILE A 42 2.930 0.191 -2.777 1.00 0.00 C ATOM 584 O ILE A 42 2.582 -0.964 -2.528 1.00 0.00 O ATOM 585 CB ILE A 42 1.201 1.553 -1.602 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.211 2.713 -1.724 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.230 1.840 -0.519 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.973 2.599 -0.790 1.00 0.00 C ATOM 0 H ILE A 42 0.263 0.244 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 42 2.400 2.214 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 42 0.648 0.656 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.733 3.648 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.151 2.765 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.721 2.017 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.899 0.986 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.808 2.723 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.632 3.456 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.520 1.681 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.622 2.578 0.242 1.00 0.00 H new ATOM 600 N THR A 43 4.204 0.549 -2.909 1.00 0.00 N ATOM 601 CA THR A 43 5.288 -0.414 -2.766 1.00 0.00 C ATOM 602 C THR A 43 5.605 -0.671 -1.297 1.00 0.00 C ATOM 603 O THR A 43 6.319 0.104 -0.661 1.00 0.00 O ATOM 604 CB THR A 43 6.566 0.068 -3.478 1.00 0.00 C ATOM 605 OG1 THR A 43 6.309 0.249 -4.875 1.00 0.00 O ATOM 606 CG2 THR A 43 7.698 -0.931 -3.291 1.00 0.00 C ATOM 0 H THR A 43 4.510 1.500 -3.115 1.00 0.00 H new ATOM 0 HA THR A 43 4.950 -1.341 -3.230 1.00 0.00 H new ATOM 0 HB THR A 43 6.865 1.019 -3.038 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.126 0.557 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.590 -0.570 -3.802 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.910 -1.046 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.406 -1.894 -3.709 1.00 0.00 H new ATOM 614 N VAL A 44 5.070 -1.765 -0.763 1.00 0.00 N ATOM 615 CA VAL A 44 5.297 -2.125 0.631 1.00 0.00 C ATOM 616 C VAL A 44 6.759 -2.480 0.875 1.00 0.00 C ATOM 617 O VAL A 44 7.277 -3.444 0.310 1.00 0.00 O ATOM 618 CB VAL A 44 4.413 -3.313 1.055 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.635 -3.646 2.523 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.948 -3.010 0.785 1.00 0.00 C ATOM 0 H VAL A 44 4.476 -2.417 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 44 5.033 -1.254 1.230 1.00 0.00 H new ATOM 0 HB VAL A 44 4.695 -4.183 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.002 -4.488 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.681 -3.909 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.381 -2.780 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.338 -3.860 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.649 -2.127 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.805 -2.825 -0.280 1.00 0.00 H new ATOM 630 N ILE A 45 7.420 -1.696 1.721 1.00 0.00 N ATOM 631 CA ILE A 45 8.823 -1.930 2.041 1.00 0.00 C ATOM 632 C ILE A 45 8.974 -2.563 3.420 1.00 0.00 C ATOM 633 O ILE A 45 9.837 -3.415 3.632 1.00 0.00 O ATOM 634 CB ILE A 45 9.635 -0.622 1.997 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.814 0.533 2.573 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.066 -0.314 0.571 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.578 1.837 2.651 1.00 0.00 C ATOM 0 H ILE A 45 7.007 -0.894 2.197 1.00 0.00 H new ATOM 0 HA ILE A 45 9.210 -2.614 1.286 1.00 0.00 H new ATOM 0 HB ILE A 45 10.530 -0.746 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.925 0.678 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.471 0.262 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.639 0.613 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.684 -1.129 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.184 -0.206 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.934 2.611 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.452 1.709 3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.898 2.131 1.652 1.00 0.00 H new ATOM 649 N SER A 46 8.127 -2.142 4.354 1.00 0.00 N ATOM 650 CA SER A 46 8.168 -2.666 5.714 1.00 0.00 C ATOM 651 C SER A 46 6.758 -2.910 6.244 1.00 0.00 C ATOM 652 O SER A 46 6.041 -1.971 6.591 1.00 0.00 O ATOM 653 CB SER A 46 8.911 -1.697 6.635 1.00 0.00 C ATOM 654 OG SER A 46 9.540 -2.387 7.701 1.00 0.00 O ATOM 0 H SER A 46 7.405 -1.440 4.194 1.00 0.00 H new ATOM 0 HA SER A 46 8.700 -3.617 5.695 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.658 -1.147 6.063 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.212 -0.963 7.035 1.00 0.00 H new ATOM 0 HG SER A 46 10.009 -1.745 8.274 1.00 0.00 H new ATOM 660 N LYS A 47 6.367 -4.179 6.304 1.00 0.00 N ATOM 661 CA LYS A 47 5.044 -4.549 6.793 1.00 0.00 C ATOM 662 C LYS A 47 5.134 -5.704 7.785 1.00 0.00 C ATOM 663 O LYS A 47 6.187 -6.325 7.937 1.00 0.00 O ATOM 664 CB LYS A 47 4.136 -4.937 5.624 1.00 0.00 C ATOM 665 CG LYS A 47 4.415 -6.325 5.072 1.00 0.00 C ATOM 666 CD LYS A 47 3.243 -6.846 4.256 1.00 0.00 C ATOM 667 CE LYS A 47 3.184 -8.366 4.275 1.00 0.00 C ATOM 668 NZ LYS A 47 1.880 -8.876 3.770 1.00 0.00 N ATOM 0 H LYS A 47 6.948 -4.968 6.020 1.00 0.00 H new ATOM 0 HA LYS A 47 4.619 -3.686 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.097 -4.887 5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.255 -4.206 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.309 -6.297 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.620 -7.010 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.313 -6.440 4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.330 -6.497 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.992 -8.769 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.344 -8.723 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.713 -9.832 4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.115 -8.244 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.899 -8.908 2.731 1.00 0.00 H new ATOM 682 N THR A 48 4.024 -5.988 8.458 1.00 0.00 N ATOM 683 CA THR A 48 3.977 -7.069 9.436 1.00 0.00 C ATOM 684 C THR A 48 3.044 -8.184 8.978 1.00 0.00 C ATOM 685 O THR A 48 2.388 -8.072 7.943 1.00 0.00 O ATOM 686 CB THR A 48 3.514 -6.560 10.814 1.00 0.00 C ATOM 687 OG1 THR A 48 2.161 -6.100 10.737 1.00 0.00 O ATOM 688 CG2 THR A 48 4.411 -5.433 11.304 1.00 0.00 C ATOM 0 H THR A 48 3.144 -5.484 8.344 1.00 0.00 H new ATOM 0 HA THR A 48 4.990 -7.461 9.524 1.00 0.00 H new ATOM 0 HB THR A 48 3.576 -7.387 11.522 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.591 -6.664 11.300 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.064 -5.090 12.279 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.436 -5.795 11.390 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.376 -4.606 10.595 1.00 0.00 H new ATOM 696 N ASP A 49 2.990 -9.260 9.756 1.00 0.00 N ATOM 697 CA ASP A 49 2.135 -10.396 9.432 1.00 0.00 C ATOM 698 C ASP A 49 0.664 -9.997 9.473 1.00 0.00 C ATOM 699 O ASP A 49 -0.108 -10.340 8.577 1.00 0.00 O ATOM 700 CB ASP A 49 2.392 -11.548 10.404 1.00 0.00 C ATOM 701 CG ASP A 49 3.854 -11.943 10.461 1.00 0.00 C ATOM 702 OD1 ASP A 49 4.664 -11.150 10.985 1.00 0.00 O ATOM 703 OD2 ASP A 49 4.189 -13.047 9.983 1.00 0.00 O ATOM 0 H ASP A 49 3.528 -9.369 10.615 1.00 0.00 H new ATOM 0 HA ASP A 49 2.375 -10.724 8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.058 -11.260 11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.797 -12.411 10.105 1.00 0.00 H new ATOM 708 N SER A 50 0.281 -9.272 10.519 1.00 0.00 N ATOM 709 CA SER A 50 -1.100 -8.831 10.679 1.00 0.00 C ATOM 710 C SER A 50 -1.452 -7.762 9.648 1.00 0.00 C ATOM 711 O SER A 50 -0.595 -6.988 9.222 1.00 0.00 O ATOM 712 CB SER A 50 -1.323 -8.286 12.091 1.00 0.00 C ATOM 713 OG SER A 50 -0.266 -7.426 12.479 1.00 0.00 O ATOM 0 H SER A 50 0.907 -8.977 11.268 1.00 0.00 H new ATOM 0 HA SER A 50 -1.751 -9.691 10.522 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.269 -7.745 12.130 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.400 -9.114 12.796 1.00 0.00 H new ATOM 0 HG SER A 50 -0.433 -7.090 13.384 1.00 0.00 H new ATOM 719 N HIS A 51 -2.720 -7.728 9.251 1.00 0.00 N ATOM 720 CA HIS A 51 -3.187 -6.754 8.270 1.00 0.00 C ATOM 721 C HIS A 51 -3.699 -5.492 8.958 1.00 0.00 C ATOM 722 O HIS A 51 -3.229 -4.388 8.682 1.00 0.00 O ATOM 723 CB HIS A 51 -4.292 -7.361 7.405 1.00 0.00 C ATOM 724 CG HIS A 51 -3.875 -8.608 6.687 1.00 0.00 C ATOM 725 ND1 HIS A 51 -3.595 -9.791 7.337 1.00 0.00 N ATOM 726 CD2 HIS A 51 -3.692 -8.852 5.369 1.00 0.00 C ATOM 727 CE1 HIS A 51 -3.256 -10.709 6.449 1.00 0.00 C ATOM 728 NE2 HIS A 51 -3.308 -10.164 5.247 1.00 0.00 N ATOM 0 H HIS A 51 -3.442 -8.363 9.593 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.344 -6.483 7.634 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.153 -7.585 8.035 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.616 -6.621 6.673 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.824 -8.146 4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.983 -11.731 6.669 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.097 -10.641 4.370 1.00 0.00 H new ATOM 737 N PHE A 52 -4.665 -5.663 9.854 1.00 0.00 N ATOM 738 CA PHE A 52 -5.242 -4.538 10.581 1.00 0.00 C ATOM 739 C PHE A 52 -4.175 -3.497 10.907 1.00 0.00 C ATOM 740 O PHE A 52 -4.402 -2.295 10.768 1.00 0.00 O ATOM 741 CB PHE A 52 -5.908 -5.023 11.870 1.00 0.00 C ATOM 742 CG PHE A 52 -6.897 -4.046 12.438 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.025 -3.684 11.719 1.00 0.00 C ATOM 744 CD2 PHE A 52 -6.698 -3.488 13.691 1.00 0.00 C ATOM 745 CE1 PHE A 52 -8.937 -2.785 12.240 1.00 0.00 C ATOM 746 CE2 PHE A 52 -7.607 -2.589 14.216 1.00 0.00 C ATOM 747 CZ PHE A 52 -8.727 -2.236 13.489 1.00 0.00 C ATOM 0 H PHE A 52 -5.065 -6.570 10.094 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.995 -4.074 9.944 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.414 -5.968 11.674 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.138 -5.222 12.615 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.194 -4.109 10.741 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.823 -3.759 14.263 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.813 -2.512 11.670 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.442 -2.163 15.194 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.437 -1.532 13.897 1.00 0.00 H new ATOM 757 N ASP A 53 -3.012 -3.968 11.342 1.00 0.00 N ATOM 758 CA ASP A 53 -1.908 -3.079 11.689 1.00 0.00 C ATOM 759 C ASP A 53 -1.530 -2.195 10.504 1.00 0.00 C ATOM 760 O ASP A 53 -1.882 -2.488 9.362 1.00 0.00 O ATOM 761 CB ASP A 53 -0.695 -3.891 12.144 1.00 0.00 C ATOM 762 CG ASP A 53 -0.827 -4.379 13.573 1.00 0.00 C ATOM 763 OD1 ASP A 53 -1.941 -4.789 13.960 1.00 0.00 O ATOM 764 OD2 ASP A 53 0.185 -4.351 14.305 1.00 0.00 O ATOM 0 H ASP A 53 -2.808 -4.960 11.463 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.233 -2.438 12.508 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.565 -4.747 11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.203 -3.279 12.054 1.00 0.00 H new ATOM 769 N TRP A 54 -0.813 -1.114 10.786 1.00 0.00 N ATOM 770 CA TRP A 54 -0.388 -0.186 9.743 1.00 0.00 C ATOM 771 C TRP A 54 0.949 -0.614 9.146 1.00 0.00 C ATOM 772 O TRP A 54 1.867 -0.997 9.870 1.00 0.00 O ATOM 773 CB TRP A 54 -0.279 1.231 10.306 1.00 0.00 C ATOM 774 CG TRP A 54 -1.609 1.878 10.550 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.689 1.321 11.175 1.00 0.00 C ATOM 776 CD2 TRP A 54 -2.001 3.202 10.171 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.728 2.219 11.207 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.331 3.381 10.599 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.357 4.254 9.514 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -4.027 4.569 10.389 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.049 5.432 9.307 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.372 5.582 9.743 1.00 0.00 C ATOM 0 H TRP A 54 -0.513 -0.858 11.727 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.138 -0.198 8.952 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.279 1.200 11.242 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.295 1.846 9.613 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.721 0.322 11.584 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.646 2.048 11.617 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.337 4.148 9.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.047 4.686 10.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.561 6.252 8.800 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.885 6.516 9.566 1.00 0.00 H new ATOM 793 N TRP A 55 1.050 -0.545 7.824 1.00 0.00 N ATOM 794 CA TRP A 55 2.276 -0.925 7.131 1.00 0.00 C ATOM 795 C TRP A 55 2.970 0.299 6.543 1.00 0.00 C ATOM 796 O TRP A 55 2.414 1.396 6.539 1.00 0.00 O ATOM 797 CB TRP A 55 1.968 -1.933 6.023 1.00 0.00 C ATOM 798 CG TRP A 55 1.440 -3.238 6.537 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.475 -3.685 7.828 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.800 -4.265 5.772 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.895 -4.928 7.911 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.472 -5.306 6.664 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.470 -4.406 4.422 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.167 -6.470 6.246 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.165 -5.562 4.008 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.479 -6.581 4.918 1.00 0.00 C ATOM 0 H TRP A 55 0.299 -0.230 7.210 1.00 0.00 H new ATOM 0 HA TRP A 55 2.946 -1.386 7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.239 -1.499 5.339 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.875 -2.118 5.447 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.897 -3.141 8.661 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.796 -5.480 8.763 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.707 -3.626 3.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.408 -7.257 6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.423 -5.682 2.966 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -0.977 -7.472 4.564 1.00 0.00 H new ATOM 817 N GLU A 56 4.188 0.102 6.047 1.00 0.00 N ATOM 818 CA GLU A 56 4.957 1.191 5.457 1.00 0.00 C ATOM 819 C GLU A 56 5.328 0.874 4.011 1.00 0.00 C ATOM 820 O GLU A 56 6.017 -0.107 3.736 1.00 0.00 O ATOM 821 CB GLU A 56 6.224 1.451 6.274 1.00 0.00 C ATOM 822 CG GLU A 56 7.013 2.662 5.805 1.00 0.00 C ATOM 823 CD GLU A 56 8.386 2.746 6.442 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.161 1.775 6.315 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.687 3.784 7.069 1.00 0.00 O ATOM 0 H GLU A 56 4.663 -0.801 6.042 1.00 0.00 H new ATOM 0 HA GLU A 56 4.336 2.087 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.950 1.589 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.864 0.570 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.121 2.623 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.453 3.568 6.037 1.00 0.00 H new ATOM 832 N GLY A 57 4.864 1.713 3.090 1.00 0.00 N ATOM 833 CA GLY A 57 5.156 1.506 1.683 1.00 0.00 C ATOM 834 C GLY A 57 5.672 2.761 1.007 1.00 0.00 C ATOM 835 O GLY A 57 5.945 3.764 1.667 1.00 0.00 O ATOM 0 H GLY A 57 4.291 2.532 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.896 0.712 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.254 1.168 1.174 1.00 0.00 H new ATOM 839 N LYS A 58 5.807 2.707 -0.314 1.00 0.00 N ATOM 840 CA LYS A 58 6.294 3.847 -1.081 1.00 0.00 C ATOM 841 C LYS A 58 5.368 4.147 -2.256 1.00 0.00 C ATOM 842 O LYS A 58 4.878 3.234 -2.922 1.00 0.00 O ATOM 843 CB LYS A 58 7.711 3.577 -1.591 1.00 0.00 C ATOM 844 CG LYS A 58 8.799 4.029 -0.631 1.00 0.00 C ATOM 845 CD LYS A 58 10.057 3.190 -0.780 1.00 0.00 C ATOM 846 CE LYS A 58 10.994 3.773 -1.827 1.00 0.00 C ATOM 847 NZ LYS A 58 12.354 3.170 -1.752 1.00 0.00 N ATOM 0 H LYS A 58 5.586 1.885 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 58 6.311 4.716 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.824 2.509 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.847 4.084 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.036 5.077 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.433 3.960 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.572 3.131 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.786 2.172 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.577 3.606 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.067 4.852 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.962 3.594 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.763 3.351 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.288 2.144 -1.909 1.00 0.00 H new ATOM 861 N LEU A 59 5.134 5.430 -2.506 1.00 0.00 N ATOM 862 CA LEU A 59 4.268 5.851 -3.602 1.00 0.00 C ATOM 863 C LEU A 59 4.769 7.151 -4.223 1.00 0.00 C ATOM 864 O LEU A 59 5.021 8.129 -3.520 1.00 0.00 O ATOM 865 CB LEU A 59 2.833 6.029 -3.105 1.00 0.00 C ATOM 866 CG LEU A 59 1.917 6.876 -3.989 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.400 6.057 -5.162 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.759 7.435 -3.176 1.00 0.00 C ATOM 0 H LEU A 59 5.532 6.197 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 59 4.287 5.074 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.384 5.042 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.866 6.480 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 59 2.496 7.712 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.750 6.676 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.241 5.706 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.838 5.201 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.118 8.035 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.181 6.613 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.147 8.058 -2.370 1.00 0.00 H new ATOM 880 N ARG A 60 4.908 7.154 -5.545 1.00 0.00 N ATOM 881 CA ARG A 60 5.377 8.334 -6.261 1.00 0.00 C ATOM 882 C ARG A 60 6.609 8.927 -5.584 1.00 0.00 C ATOM 883 O ARG A 60 6.637 10.111 -5.249 1.00 0.00 O ATOM 884 CB ARG A 60 4.268 9.386 -6.336 1.00 0.00 C ATOM 885 CG ARG A 60 2.997 8.883 -7.001 1.00 0.00 C ATOM 886 CD ARG A 60 3.299 8.139 -8.292 1.00 0.00 C ATOM 887 NE ARG A 60 3.937 9.001 -9.284 1.00 0.00 N ATOM 888 CZ ARG A 60 4.091 8.664 -10.559 1.00 0.00 C ATOM 889 NH1 ARG A 60 3.656 7.491 -10.996 1.00 0.00 N ATOM 890 NH2 ARG A 60 4.682 9.503 -11.401 1.00 0.00 N ATOM 0 H ARG A 60 4.702 6.353 -6.142 1.00 0.00 H new ATOM 0 HA ARG A 60 5.650 8.030 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.031 9.725 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.637 10.252 -6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.464 8.224 -6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.338 9.725 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.949 7.290 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.373 7.736 -8.703 1.00 0.00 H new ATOM 0 HE ARG A 60 4.283 9.911 -8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.201 6.844 -10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.776 7.235 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.018 10.407 -11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.800 9.244 -12.380 1.00 0.00 H new ATOM 904 N GLY A 61 7.627 8.095 -5.384 1.00 0.00 N ATOM 905 CA GLY A 61 8.847 8.555 -4.747 1.00 0.00 C ATOM 906 C GLY A 61 8.599 9.131 -3.368 1.00 0.00 C ATOM 907 O GLY A 61 9.149 10.175 -3.017 1.00 0.00 O ATOM 0 H GLY A 61 7.628 7.111 -5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.548 7.724 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.318 9.312 -5.374 1.00 0.00 H new ATOM 911 N GLN A 62 7.768 8.451 -2.584 1.00 0.00 N ATOM 912 CA GLN A 62 7.447 8.904 -1.236 1.00 0.00 C ATOM 913 C GLN A 62 7.447 7.737 -0.255 1.00 0.00 C ATOM 914 O GLN A 62 7.450 6.573 -0.657 1.00 0.00 O ATOM 915 CB GLN A 62 6.085 9.600 -1.220 1.00 0.00 C ATOM 916 CG GLN A 62 5.984 10.763 -2.193 1.00 0.00 C ATOM 917 CD GLN A 62 6.540 12.052 -1.622 1.00 0.00 C ATOM 918 OE1 GLN A 62 6.784 12.158 -0.420 1.00 0.00 O ATOM 919 NE2 GLN A 62 6.743 13.043 -2.483 1.00 0.00 N ATOM 0 H GLN A 62 7.305 7.585 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 62 8.214 9.614 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.311 8.870 -1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.883 9.962 -0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.522 10.514 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.940 10.912 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.527 12.912 -3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.115 13.935 -2.156 1.00 0.00 H new ATOM 928 N THR A 63 7.443 8.055 1.036 1.00 0.00 N ATOM 929 CA THR A 63 7.444 7.033 2.075 1.00 0.00 C ATOM 930 C THR A 63 6.569 7.445 3.253 1.00 0.00 C ATOM 931 O THR A 63 6.587 8.600 3.677 1.00 0.00 O ATOM 932 CB THR A 63 8.870 6.750 2.584 1.00 0.00 C ATOM 933 OG1 THR A 63 9.799 6.805 1.495 1.00 0.00 O ATOM 934 CG2 THR A 63 8.946 5.386 3.253 1.00 0.00 C ATOM 0 H THR A 63 7.439 9.013 1.387 1.00 0.00 H new ATOM 0 HA THR A 63 7.040 6.126 1.626 1.00 0.00 H new ATOM 0 HB THR A 63 9.127 7.512 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.703 6.626 1.827 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.963 5.209 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.260 5.357 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.670 4.613 2.536 1.00 0.00 H new ATOM 942 N GLY A 64 5.805 6.493 3.779 1.00 0.00 N ATOM 943 CA GLY A 64 4.934 6.778 4.904 1.00 0.00 C ATOM 944 C GLY A 64 4.162 5.557 5.364 1.00 0.00 C ATOM 945 O GLY A 64 4.245 4.494 4.748 1.00 0.00 O ATOM 0 H GLY A 64 5.774 5.529 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.530 7.161 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.232 7.564 4.626 1.00 0.00 H new ATOM 949 N ILE A 65 3.411 5.708 6.449 1.00 0.00 N ATOM 950 CA ILE A 65 2.622 4.608 6.991 1.00 0.00 C ATOM 951 C ILE A 65 1.161 4.719 6.567 1.00 0.00 C ATOM 952 O ILE A 65 0.647 5.816 6.353 1.00 0.00 O ATOM 953 CB ILE A 65 2.697 4.565 8.528 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.224 5.894 9.121 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.116 4.253 8.981 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.596 5.755 10.490 1.00 0.00 C ATOM 0 H ILE A 65 3.332 6.581 6.970 1.00 0.00 H new ATOM 0 HA ILE A 65 3.046 3.688 6.589 1.00 0.00 H new ATOM 0 HB ILE A 65 2.039 3.773 8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.072 6.576 9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.501 6.348 8.443 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.153 4.226 10.070 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.420 3.285 8.584 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.793 5.025 8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.284 6.736 10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.728 5.099 10.427 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.323 5.330 11.182 1.00 0.00 H new ATOM 968 N PHE A 66 0.497 3.574 6.450 1.00 0.00 N ATOM 969 CA PHE A 66 -0.906 3.541 6.053 1.00 0.00 C ATOM 970 C PHE A 66 -1.556 2.222 6.461 1.00 0.00 C ATOM 971 O PHE A 66 -0.900 1.187 6.575 1.00 0.00 O ATOM 972 CB PHE A 66 -1.035 3.740 4.541 1.00 0.00 C ATOM 973 CG PHE A 66 -0.468 2.605 3.737 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.873 2.586 3.391 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.277 1.558 3.326 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.397 1.543 2.650 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.759 0.512 2.586 1.00 0.00 C ATOM 978 CZ PHE A 66 0.580 0.504 2.248 1.00 0.00 C ATOM 0 H PHE A 66 0.908 2.657 6.624 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.422 4.353 6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.088 3.864 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.528 4.663 4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.517 3.395 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.325 1.559 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.444 1.540 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.401 -0.298 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.988 -0.313 1.671 1.00 0.00 H new ATOM 988 N PRO A 67 -2.878 2.260 6.687 1.00 0.00 N ATOM 989 CA PRO A 67 -3.647 1.077 7.086 1.00 0.00 C ATOM 990 C PRO A 67 -3.769 0.058 5.958 1.00 0.00 C ATOM 991 O PRO A 67 -4.283 0.367 4.883 1.00 0.00 O ATOM 992 CB PRO A 67 -5.021 1.651 7.440 1.00 0.00 C ATOM 993 CG PRO A 67 -5.121 2.910 6.651 1.00 0.00 C ATOM 994 CD PRO A 67 -3.723 3.460 6.570 1.00 0.00 C ATOM 0 HA PRO A 67 -3.171 0.538 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.819 0.956 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.105 1.846 8.509 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.522 2.716 5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.793 3.620 7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.551 3.983 5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.524 4.172 7.371 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.294 -1.157 6.211 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.354 -2.222 5.217 1.00 0.00 C ATOM 1004 C ALA A 68 -4.795 -2.522 4.819 1.00 0.00 C ATOM 1005 O ALA A 68 -5.057 -2.997 3.715 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.679 -3.478 5.749 1.00 0.00 C ATOM 0 H ALA A 68 -2.864 -1.428 7.095 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.822 -1.885 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.731 -4.265 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.635 -3.262 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.187 -3.808 6.655 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.725 -2.242 5.726 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.140 -2.483 5.469 1.00 0.00 C ATOM 1014 C ASN A 69 -7.642 -1.607 4.325 1.00 0.00 C ATOM 1015 O ASN A 69 -8.748 -1.802 3.819 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.962 -2.213 6.731 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.455 -2.251 6.468 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.015 -3.302 6.153 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -10.108 -1.102 6.596 1.00 0.00 N ATOM 0 H ASN A 69 -5.524 -1.848 6.645 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.259 -3.528 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.711 -2.954 7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.692 -1.238 7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.114 -1.066 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.604 -0.255 6.859 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.822 -0.643 3.922 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.184 0.263 2.838 1.00 0.00 C ATOM 1028 C TYR A 70 -6.610 -0.219 1.510 1.00 0.00 C ATOM 1029 O TYR A 70 -6.898 0.345 0.454 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.682 1.677 3.140 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.679 2.524 3.899 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.197 2.099 5.115 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -8.101 3.750 3.398 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.109 2.870 5.811 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -9.011 4.527 4.088 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.512 4.083 5.294 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.418 4.854 5.985 1.00 0.00 O ATOM 0 H TYR A 70 -5.903 -0.469 4.329 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.271 0.278 2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.760 1.611 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.435 2.174 2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.882 1.150 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.711 4.101 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.504 2.524 6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.329 5.477 3.685 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.595 5.678 5.485 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.796 -1.268 1.570 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.182 -1.830 0.373 1.00 0.00 C ATOM 1049 C VAL A 71 -5.492 -3.317 0.242 1.00 0.00 C ATOM 1050 O VAL A 71 -6.160 -3.901 1.096 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.654 -1.634 0.381 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.305 -0.164 0.559 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -3.015 -2.479 1.473 1.00 0.00 C ATOM 0 H VAL A 71 -5.546 -1.746 2.436 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.605 -1.298 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.257 -1.962 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.222 -0.045 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.731 0.413 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.712 0.195 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.935 -2.329 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.415 -2.183 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.236 -3.531 1.295 1.00 0.00 H new ATOM 1063 N THR A 72 -5.002 -3.925 -0.834 1.00 0.00 N ATOM 1064 CA THR A 72 -5.227 -5.344 -1.078 1.00 0.00 C ATOM 1065 C THR A 72 -4.022 -5.983 -1.758 1.00 0.00 C ATOM 1066 O THR A 72 -3.183 -5.291 -2.334 1.00 0.00 O ATOM 1067 CB THR A 72 -6.476 -5.573 -1.951 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.891 -6.941 -1.863 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.194 -5.215 -3.402 1.00 0.00 C ATOM 0 H THR A 72 -4.447 -3.457 -1.550 1.00 0.00 H new ATOM 0 HA THR A 72 -5.382 -5.811 -0.105 1.00 0.00 H new ATOM 0 HB THR A 72 -7.274 -4.928 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.686 -7.078 -2.419 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.090 -5.385 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.907 -4.166 -3.469 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.383 -5.838 -3.779 1.00 0.00 H new