USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 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 92 ASN : amide:sc= -1.25 K(o=-3.3,f=-10!) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -2.09 K(o=-3.3,f=-2.1) USER MOD Set 2.1: A 40 THR OG1 : rot 81:sc= 1.36 USER MOD Set 2.2: A 51 TYR OH : rot -66:sc= 1.26 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 0.327 K(o=2.9,f=-2.6!) USER MOD Set 3.1: A 55 TYR OH : rot 109:sc= 1.2 USER MOD Set 3.2: A 64 GLN : amide:sc= 1.04 K(o=2.2,f=-3.1) USER MOD Set 4.1: A 54 TYR OH : rot 180:sc= -0.133 USER MOD Set 4.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 35 THR OG1 : rot 180:sc= 0.427 USER MOD Set 5.2: A 74 THR OG1 : rot -90:sc= 0.532 USER MOD Single : A 23 ASN : amide:sc= -0.856 X(o=-0.86,f=-0.9) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 30:sc= 0.132 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.189 USER MOD Single : A 37 THR OG1 : rot -69:sc= 0.0794 USER MOD Single : A 49 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.2) USER MOD Single : A 50 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.0018) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0265) USER MOD Single : A 60 THR OG1 : rot 92:sc= 0.626 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 38:sc= 0.266 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -138:sc= -0.448 USER MOD Single : A 84 TYR OH : rot 30:sc= 0.972 USER MOD Single : A 85 SER OG : rot -154:sc= -0.868 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 130:sc= -0.462 USER MOD Single : A 100 THR OG1 : rot -83:sc= 1.14 USER MOD Single : A 107 THR OG1 : rot 170:sc= 1.72 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 14.799 1.097 -11.421 1.00 0.00 N ATOM 215 CA LEU A 17 13.410 1.224 -10.992 1.00 0.00 C ATOM 216 C LEU A 17 13.259 2.331 -9.954 1.00 0.00 C ATOM 217 O LEU A 17 14.226 2.761 -9.324 1.00 0.00 O ATOM 218 CB LEU A 17 12.911 -0.102 -10.416 1.00 0.00 C ATOM 219 CG LEU A 17 12.263 -1.065 -11.412 1.00 0.00 C ATOM 220 CD1 LEU A 17 12.884 -0.905 -12.791 1.00 0.00 C ATOM 221 CD2 LEU A 17 12.398 -2.502 -10.928 1.00 0.00 C ATOM 0 HA LEU A 17 12.809 1.484 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.752 -0.610 -9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.189 0.116 -9.629 1.00 0.00 H new ATOM 0 HG LEU A 17 11.202 -0.824 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.410 -1.598 -13.486 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.736 0.117 -13.140 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.951 -1.119 -12.736 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.932 -3.174 -11.648 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.454 -2.754 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.906 -2.608 -9.961 1.00 0.00 H new ATOM 233 N PRO A 18 12.018 2.804 -9.769 1.00 0.00 N ATOM 234 CA PRO A 18 11.711 3.866 -8.806 1.00 0.00 C ATOM 235 C PRO A 18 11.853 3.397 -7.362 1.00 0.00 C ATOM 236 O PRO A 18 12.051 2.212 -7.101 1.00 0.00 O ATOM 237 CB PRO A 18 10.252 4.213 -9.115 1.00 0.00 C ATOM 238 CG PRO A 18 9.689 2.976 -9.725 1.00 0.00 C ATOM 239 CD PRO A 18 10.819 2.338 -10.486 1.00 0.00 C ATOM 0 HA PRO A 18 12.393 4.711 -8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.711 4.490 -8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.183 5.059 -9.799 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.306 2.303 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.856 3.212 -10.388 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.744 1.251 -10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.828 2.651 -11.530 1.00 0.00 H new ATOM 247 N GLY A 19 11.750 4.337 -6.427 1.00 0.00 N ATOM 248 CA GLY A 19 11.869 4.000 -5.020 1.00 0.00 C ATOM 249 C GLY A 19 10.526 3.952 -4.319 1.00 0.00 C ATOM 250 O GLY A 19 9.487 4.266 -4.901 1.00 0.00 O ATOM 0 H GLY A 19 11.586 5.325 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.361 3.032 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.507 4.734 -4.527 1.00 0.00 H new ATOM 254 N PRO A 20 10.536 3.551 -3.040 1.00 0.00 N ATOM 255 CA PRO A 20 9.317 3.453 -2.231 1.00 0.00 C ATOM 256 C PRO A 20 8.730 4.820 -1.900 1.00 0.00 C ATOM 257 O PRO A 20 9.439 5.716 -1.441 1.00 0.00 O ATOM 258 CB PRO A 20 9.792 2.751 -0.957 1.00 0.00 C ATOM 259 CG PRO A 20 11.244 3.073 -0.866 1.00 0.00 C ATOM 260 CD PRO A 20 11.738 3.162 -2.283 1.00 0.00 C ATOM 0 HA PRO A 20 8.522 2.922 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.251 3.111 -0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.628 1.675 -1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.403 4.013 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.781 2.302 -0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.534 3.900 -2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.140 2.210 -2.629 1.00 0.00 H new ATOM 268 N ALA A 21 7.431 4.974 -2.134 1.00 0.00 N ATOM 269 CA ALA A 21 6.748 6.232 -1.858 1.00 0.00 C ATOM 270 C ALA A 21 6.963 6.667 -0.412 1.00 0.00 C ATOM 271 O ALA A 21 6.526 6.006 0.531 1.00 0.00 O ATOM 272 CB ALA A 21 5.262 6.103 -2.158 1.00 0.00 C ATOM 0 H ALA A 21 6.830 4.243 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 21 7.173 6.998 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.765 7.050 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.124 5.846 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.831 5.320 -1.534 1.00 0.00 H new ATOM 278 N PRO A 22 7.651 7.803 -0.231 1.00 0.00 N ATOM 279 CA PRO A 22 7.939 8.351 1.098 1.00 0.00 C ATOM 280 C PRO A 22 6.688 8.883 1.789 1.00 0.00 C ATOM 281 O PRO A 22 5.586 8.801 1.248 1.00 0.00 O ATOM 282 CB PRO A 22 8.916 9.493 0.807 1.00 0.00 C ATOM 283 CG PRO A 22 8.619 9.898 -0.595 1.00 0.00 C ATOM 284 CD PRO A 22 8.201 8.642 -1.309 1.00 0.00 C ATOM 0 HA PRO A 22 8.337 7.594 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.771 10.323 1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.950 9.166 0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.827 10.646 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.495 10.342 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.457 8.846 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.045 8.160 -1.802 1.00 0.00 H new ATOM 292 N ASN A 23 6.867 9.430 2.987 1.00 0.00 N ATOM 293 CA ASN A 23 5.752 9.976 3.752 1.00 0.00 C ATOM 294 C ASN A 23 4.526 9.074 3.646 1.00 0.00 C ATOM 295 O ASN A 23 3.421 9.540 3.363 1.00 0.00 O ATOM 296 CB ASN A 23 5.408 11.383 3.259 1.00 0.00 C ATOM 297 CG ASN A 23 6.587 12.332 3.350 1.00 0.00 C ATOM 298 OD1 ASN A 23 7.545 12.081 4.082 1.00 0.00 O ATOM 299 ND2 ASN A 23 6.522 13.430 2.605 1.00 0.00 N ATOM 0 H ASN A 23 7.773 9.507 3.449 1.00 0.00 H new ATOM 0 HA ASN A 23 6.053 10.029 4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.067 11.329 2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.580 11.779 3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.286 14.106 2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.708 13.597 2.013 1.00 0.00 H new ATOM 306 N LEU A 24 4.728 7.781 3.875 1.00 0.00 N ATOM 307 CA LEU A 24 3.639 6.813 3.807 1.00 0.00 C ATOM 308 C LEU A 24 2.756 6.897 5.048 1.00 0.00 C ATOM 309 O LEU A 24 3.113 6.389 6.111 1.00 0.00 O ATOM 310 CB LEU A 24 4.199 5.397 3.660 1.00 0.00 C ATOM 311 CG LEU A 24 3.179 4.302 3.345 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.417 4.633 2.071 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.869 2.951 3.219 1.00 0.00 C ATOM 0 H LEU A 24 5.636 7.379 4.109 1.00 0.00 H new ATOM 0 HA LEU A 24 3.030 7.049 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.950 5.405 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.712 5.133 4.585 1.00 0.00 H new ATOM 0 HG LEU A 24 2.466 4.249 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.696 3.843 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.892 5.580 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.117 4.714 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.128 2.184 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.604 2.991 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.369 2.709 4.157 1.00 0.00 H new ATOM 325 N ARG A 25 1.602 7.540 4.904 1.00 0.00 N ATOM 326 CA ARG A 25 0.668 7.690 6.013 1.00 0.00 C ATOM 327 C ARG A 25 -0.744 7.290 5.592 1.00 0.00 C ATOM 328 O ARG A 25 -1.226 7.698 4.536 1.00 0.00 O ATOM 329 CB ARG A 25 0.671 9.133 6.519 1.00 0.00 C ATOM 330 CG ARG A 25 0.992 10.156 5.441 1.00 0.00 C ATOM 331 CD ARG A 25 1.688 11.377 6.022 1.00 0.00 C ATOM 332 NE ARG A 25 0.735 12.346 6.558 1.00 0.00 N ATOM 333 CZ ARG A 25 1.067 13.307 7.413 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.320 13.426 7.828 1.00 0.00 N ATOM 335 NH2 ARG A 25 0.143 14.151 7.856 1.00 0.00 N ATOM 0 H ARG A 25 1.292 7.965 4.030 1.00 0.00 H new ATOM 0 HA ARG A 25 0.990 7.030 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.306 9.362 6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.400 9.225 7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.628 9.700 4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.072 10.463 4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.370 11.064 6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.292 11.852 5.249 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.238 12.281 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.033 12.779 7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.572 14.165 8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.823 14.062 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.399 14.889 8.512 1.00 0.00 H new ATOM 349 N ALA A 26 -1.399 6.489 6.425 1.00 0.00 N ATOM 350 CA ALA A 26 -2.755 6.035 6.141 1.00 0.00 C ATOM 351 C ALA A 26 -3.657 6.202 7.359 1.00 0.00 C ATOM 352 O ALA A 26 -3.282 5.842 8.475 1.00 0.00 O ATOM 353 CB ALA A 26 -2.741 4.583 5.687 1.00 0.00 C ATOM 0 H ALA A 26 -1.013 6.141 7.302 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.157 6.652 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.760 4.257 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.138 4.490 4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.315 3.960 6.473 1.00 0.00 H new ATOM 359 N TYR A 27 -4.846 6.751 7.137 1.00 0.00 N ATOM 360 CA TYR A 27 -5.800 6.969 8.218 1.00 0.00 C ATOM 361 C TYR A 27 -7.189 6.473 7.827 1.00 0.00 C ATOM 362 O TYR A 27 -7.646 6.692 6.706 1.00 0.00 O ATOM 363 CB TYR A 27 -5.861 8.454 8.581 1.00 0.00 C ATOM 364 CG TYR A 27 -6.083 9.360 7.391 1.00 0.00 C ATOM 365 CD1 TYR A 27 -7.348 9.514 6.837 1.00 0.00 C ATOM 366 CD2 TYR A 27 -5.028 10.061 6.820 1.00 0.00 C ATOM 367 CE1 TYR A 27 -7.555 10.340 5.749 1.00 0.00 C ATOM 368 CE2 TYR A 27 -5.226 10.890 5.733 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.491 11.026 5.201 1.00 0.00 C ATOM 370 OH TYR A 27 -6.692 11.850 4.118 1.00 0.00 O ATOM 0 H TYR A 27 -5.172 7.053 6.219 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.462 6.403 9.086 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.664 8.611 9.301 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.931 8.737 9.074 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.183 8.979 7.264 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.036 9.956 7.233 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.544 10.448 5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.395 11.429 5.302 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.841 12.259 3.856 1.00 0.00 H new ATOM 380 N ALA A 28 -7.855 5.802 8.761 1.00 0.00 N ATOM 381 CA ALA A 28 -9.192 5.276 8.517 1.00 0.00 C ATOM 382 C ALA A 28 -10.232 6.391 8.532 1.00 0.00 C ATOM 383 O ALA A 28 -10.534 6.956 9.583 1.00 0.00 O ATOM 384 CB ALA A 28 -9.538 4.214 9.551 1.00 0.00 C ATOM 0 H ALA A 28 -7.490 5.610 9.694 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.201 4.820 7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.539 3.830 9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.818 3.398 9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.505 4.653 10.548 1.00 0.00 H new ATOM 390 N ALA A 29 -10.775 6.703 7.360 1.00 0.00 N ATOM 391 CA ALA A 29 -11.782 7.750 7.240 1.00 0.00 C ATOM 392 C ALA A 29 -13.111 7.305 7.840 1.00 0.00 C ATOM 393 O ALA A 29 -13.901 8.128 8.303 1.00 0.00 O ATOM 394 CB ALA A 29 -11.965 8.141 5.781 1.00 0.00 C ATOM 0 H ALA A 29 -10.535 6.246 6.480 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.434 8.620 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.720 8.924 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.020 8.509 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.287 7.271 5.209 1.00 0.00 H new ATOM 400 N SER A 30 -13.353 5.998 7.829 1.00 0.00 N ATOM 401 CA SER A 30 -14.589 5.444 8.369 1.00 0.00 C ATOM 402 C SER A 30 -14.366 4.029 8.894 1.00 0.00 C ATOM 403 O SER A 30 -13.390 3.360 8.555 1.00 0.00 O ATOM 404 CB SER A 30 -15.680 5.437 7.296 1.00 0.00 C ATOM 405 OG SER A 30 -16.430 6.639 7.323 1.00 0.00 O ATOM 0 H SER A 30 -12.709 5.303 7.452 1.00 0.00 H new ATOM 0 HA SER A 30 -14.909 6.074 9.199 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.227 5.310 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.344 4.587 7.453 1.00 0.00 H new ATOM 0 HG SER A 30 -15.862 7.372 7.639 1.00 0.00 H new ATOM 411 N PRO A 31 -15.294 3.561 9.742 1.00 0.00 N ATOM 412 CA PRO A 31 -15.223 2.221 10.333 1.00 0.00 C ATOM 413 C PRO A 31 -15.466 1.121 9.305 1.00 0.00 C ATOM 414 O PRO A 31 -15.452 -0.065 9.635 1.00 0.00 O ATOM 415 CB PRO A 31 -16.341 2.234 11.378 1.00 0.00 C ATOM 416 CG PRO A 31 -17.308 3.255 10.885 1.00 0.00 C ATOM 417 CD PRO A 31 -16.484 4.304 10.190 1.00 0.00 C ATOM 0 HA PRO A 31 -14.237 2.010 10.747 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.811 1.254 11.468 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.958 2.495 12.364 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.031 2.810 10.201 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.874 3.687 11.710 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.021 4.746 9.351 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.219 5.119 10.864 1.00 0.00 H new ATOM 425 N THR A 32 -15.689 1.522 8.058 1.00 0.00 N ATOM 426 CA THR A 32 -15.936 0.570 6.982 1.00 0.00 C ATOM 427 C THR A 32 -15.040 0.852 5.781 1.00 0.00 C ATOM 428 O THR A 32 -15.068 0.124 4.789 1.00 0.00 O ATOM 429 CB THR A 32 -17.408 0.604 6.529 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.732 1.900 6.014 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.337 0.264 7.684 1.00 0.00 C ATOM 0 H THR A 32 -15.704 2.500 7.768 1.00 0.00 H new ATOM 0 HA THR A 32 -15.708 -0.420 7.377 1.00 0.00 H new ATOM 0 HB THR A 32 -17.542 -0.141 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.669 1.913 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.371 0.294 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.107 -0.735 8.054 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.200 0.989 8.487 1.00 0.00 H new ATOM 439 N SER A 33 -14.245 1.913 5.878 1.00 0.00 N ATOM 440 CA SER A 33 -13.342 2.294 4.798 1.00 0.00 C ATOM 441 C SER A 33 -12.011 2.792 5.353 1.00 0.00 C ATOM 442 O SER A 33 -11.844 2.929 6.565 1.00 0.00 O ATOM 443 CB SER A 33 -13.982 3.376 3.927 1.00 0.00 C ATOM 444 OG SER A 33 -13.774 4.664 4.479 1.00 0.00 O ATOM 0 H SER A 33 -14.208 2.524 6.694 1.00 0.00 H new ATOM 0 HA SER A 33 -13.153 1.411 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.561 3.335 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.051 3.186 3.832 1.00 0.00 H new ATOM 0 HG SER A 33 -14.191 5.338 3.903 1.00 0.00 H new ATOM 450 N ILE A 34 -11.068 3.062 4.457 1.00 0.00 N ATOM 451 CA ILE A 34 -9.753 3.547 4.856 1.00 0.00 C ATOM 452 C ILE A 34 -9.133 4.416 3.766 1.00 0.00 C ATOM 453 O ILE A 34 -9.120 4.044 2.592 1.00 0.00 O ATOM 454 CB ILE A 34 -8.796 2.382 5.173 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.274 1.625 6.414 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.380 2.900 5.374 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.510 0.345 6.672 1.00 0.00 C ATOM 0 H ILE A 34 -11.190 2.953 3.450 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.897 4.145 5.756 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.793 1.693 4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.182 2.275 7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.333 1.391 6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.715 2.065 5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.043 3.399 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.366 3.607 6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.902 -0.139 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.622 -0.324 5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.454 0.574 6.817 1.00 0.00 H new ATOM 469 N THR A 35 -8.619 5.576 4.163 1.00 0.00 N ATOM 470 CA THR A 35 -7.997 6.498 3.221 1.00 0.00 C ATOM 471 C THR A 35 -6.478 6.468 3.344 1.00 0.00 C ATOM 472 O THR A 35 -5.903 7.108 4.225 1.00 0.00 O ATOM 473 CB THR A 35 -8.490 7.941 3.439 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.903 8.014 3.219 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.775 8.904 2.503 1.00 0.00 C ATOM 0 H THR A 35 -8.621 5.899 5.130 1.00 0.00 H new ATOM 0 HA THR A 35 -8.284 6.171 2.222 1.00 0.00 H new ATOM 0 HB THR A 35 -8.268 8.227 4.467 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.209 8.934 3.361 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.139 9.917 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.702 8.867 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.970 8.619 1.469 1.00 0.00 H new ATOM 483 N VAL A 36 -5.831 5.721 2.455 1.00 0.00 N ATOM 484 CA VAL A 36 -4.377 5.610 2.463 1.00 0.00 C ATOM 485 C VAL A 36 -3.736 6.714 1.630 1.00 0.00 C ATOM 486 O VAL A 36 -4.207 7.036 0.538 1.00 0.00 O ATOM 487 CB VAL A 36 -3.916 4.242 1.925 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.423 4.056 2.150 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.706 3.119 2.580 1.00 0.00 C ATOM 0 H VAL A 36 -6.291 5.184 1.720 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.058 5.711 3.500 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.104 4.210 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.115 3.084 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.876 4.843 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.207 4.107 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.368 2.160 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.551 3.146 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.767 3.246 2.363 1.00 0.00 H new ATOM 499 N THR A 37 -2.658 7.291 2.150 1.00 0.00 N ATOM 500 CA THR A 37 -1.952 8.360 1.455 1.00 0.00 C ATOM 501 C THR A 37 -0.469 8.037 1.311 1.00 0.00 C ATOM 502 O THR A 37 0.082 7.251 2.082 1.00 0.00 O ATOM 503 CB THR A 37 -2.104 9.705 2.191 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.036 9.872 3.130 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.440 9.778 2.915 1.00 0.00 C ATOM 0 H THR A 37 -2.254 7.036 3.051 1.00 0.00 H new ATOM 0 HA THR A 37 -2.401 8.443 0.465 1.00 0.00 H new ATOM 0 HB THR A 37 -2.066 10.505 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.138 9.226 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.524 10.736 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.251 9.680 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.503 8.970 3.644 1.00 0.00 H new ATOM 513 N TRP A 38 0.171 8.647 0.321 1.00 0.00 N ATOM 514 CA TRP A 38 1.591 8.424 0.077 1.00 0.00 C ATOM 515 C TRP A 38 2.169 9.519 -0.813 1.00 0.00 C ATOM 516 O TRP A 38 1.438 10.188 -1.542 1.00 0.00 O ATOM 517 CB TRP A 38 1.810 7.056 -0.570 1.00 0.00 C ATOM 518 CG TRP A 38 1.043 6.872 -1.845 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.481 7.138 -3.110 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.296 6.384 -1.976 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.495 6.845 -4.021 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.605 6.379 -3.350 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.264 5.947 -1.067 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.841 5.957 -3.834 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.490 5.529 -1.549 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.769 5.536 -2.922 1.00 0.00 C ATOM 0 H TRP A 38 -0.271 9.300 -0.326 1.00 0.00 H new ATOM 0 HA TRP A 38 2.107 8.451 1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.873 6.923 -0.772 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.520 6.278 0.136 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.459 7.522 -3.359 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.570 6.956 -5.032 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.057 5.936 -0.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.059 5.962 -4.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.246 5.191 -0.855 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.736 5.202 -3.267 1.00 0.00 H new ATOM 537 N GLU A 39 3.485 9.696 -0.747 1.00 0.00 N ATOM 538 CA GLU A 39 4.160 10.712 -1.548 1.00 0.00 C ATOM 539 C GLU A 39 4.992 10.068 -2.654 1.00 0.00 C ATOM 540 O GLU A 39 5.258 8.866 -2.628 1.00 0.00 O ATOM 541 CB GLU A 39 5.054 11.581 -0.661 1.00 0.00 C ATOM 542 CG GLU A 39 4.351 12.807 -0.103 1.00 0.00 C ATOM 543 CD GLU A 39 3.500 13.513 -1.140 1.00 0.00 C ATOM 544 OE1 GLU A 39 4.033 13.849 -2.218 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.299 13.730 -0.872 1.00 0.00 O ATOM 0 H GLU A 39 4.105 9.150 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 39 3.398 11.340 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.426 10.978 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.922 11.901 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.722 12.510 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.095 13.502 0.286 1.00 0.00 H new ATOM 552 N THR A 40 5.400 10.878 -3.626 1.00 0.00 N ATOM 553 CA THR A 40 6.199 10.389 -4.742 1.00 0.00 C ATOM 554 C THR A 40 7.684 10.388 -4.396 1.00 0.00 C ATOM 555 O THR A 40 8.222 11.357 -3.859 1.00 0.00 O ATOM 556 CB THR A 40 5.980 11.242 -6.006 1.00 0.00 C ATOM 557 OG1 THR A 40 4.612 11.158 -6.422 1.00 0.00 O ATOM 558 CG2 THR A 40 6.888 10.779 -7.136 1.00 0.00 C ATOM 0 H THR A 40 5.190 11.875 -3.663 1.00 0.00 H new ATOM 0 HA THR A 40 5.873 9.368 -4.940 1.00 0.00 H new ATOM 0 HB THR A 40 6.224 12.277 -5.766 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.069 11.773 -5.886 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.715 11.396 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.929 10.871 -6.827 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.671 9.738 -7.374 1.00 0.00 H new ATOM 566 N PRO A 41 8.364 9.275 -4.709 1.00 0.00 N ATOM 567 CA PRO A 41 9.797 9.122 -4.441 1.00 0.00 C ATOM 568 C PRO A 41 10.653 10.014 -5.333 1.00 0.00 C ATOM 569 O PRO A 41 10.760 9.785 -6.538 1.00 0.00 O ATOM 570 CB PRO A 41 10.060 7.646 -4.751 1.00 0.00 C ATOM 571 CG PRO A 41 8.996 7.268 -5.722 1.00 0.00 C ATOM 572 CD PRO A 41 7.787 8.082 -5.350 1.00 0.00 C ATOM 0 HA PRO A 41 10.054 9.410 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.053 7.502 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.008 7.036 -3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.308 7.479 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.780 6.201 -5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.194 8.344 -6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.130 7.539 -4.671 1.00 0.00 H new ATOM 580 N VAL A 42 11.262 11.033 -4.734 1.00 0.00 N ATOM 581 CA VAL A 42 12.110 11.959 -5.474 1.00 0.00 C ATOM 582 C VAL A 42 13.088 11.211 -6.373 1.00 0.00 C ATOM 583 O VAL A 42 13.321 11.602 -7.516 1.00 0.00 O ATOM 584 CB VAL A 42 12.902 12.877 -4.524 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.960 13.611 -3.582 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.931 12.074 -3.744 1.00 0.00 C ATOM 0 H VAL A 42 11.183 11.238 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 42 11.449 12.569 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 42 13.431 13.620 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.538 14.255 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.265 14.218 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.401 12.887 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.482 12.738 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.425 11.308 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.625 11.600 -4.438 1.00 0.00 H new ATOM 650 N ILE A 48 6.615 8.554 -13.240 1.00 0.00 N ATOM 651 CA ILE A 48 5.792 7.408 -12.872 1.00 0.00 C ATOM 652 C ILE A 48 4.560 7.307 -13.765 1.00 0.00 C ATOM 653 O ILE A 48 3.890 8.305 -14.030 1.00 0.00 O ATOM 654 CB ILE A 48 5.342 7.488 -11.401 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.528 7.837 -10.500 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.709 6.174 -10.969 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.540 6.720 -10.375 1.00 0.00 C ATOM 0 HA ILE A 48 6.409 6.519 -13.007 1.00 0.00 H new ATOM 0 HB ILE A 48 4.595 8.276 -11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.024 8.724 -10.894 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.157 8.093 -9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.396 6.246 -9.927 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.841 5.965 -11.595 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.435 5.368 -11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.353 7.037 -9.722 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.058 5.838 -9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.939 6.479 -11.360 1.00 0.00 H new ATOM 669 N GLN A 49 4.267 6.095 -14.224 1.00 0.00 N ATOM 670 CA GLN A 49 3.114 5.863 -15.086 1.00 0.00 C ATOM 671 C GLN A 49 1.832 5.765 -14.265 1.00 0.00 C ATOM 672 O GLN A 49 0.818 6.374 -14.605 1.00 0.00 O ATOM 673 CB GLN A 49 3.310 4.584 -15.902 1.00 0.00 C ATOM 674 CG GLN A 49 4.157 4.782 -17.149 1.00 0.00 C ATOM 675 CD GLN A 49 4.495 3.475 -17.838 1.00 0.00 C ATOM 676 OE1 GLN A 49 4.206 2.395 -17.322 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.109 3.566 -19.012 1.00 0.00 N ATOM 0 H GLN A 49 4.812 5.259 -14.014 1.00 0.00 H new ATOM 0 HA GLN A 49 3.024 6.710 -15.767 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.778 3.828 -15.271 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.334 4.196 -16.194 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.625 5.429 -17.846 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.080 5.295 -16.879 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.330 4.482 -19.403 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.360 2.720 -19.523 1.00 0.00 H new ATOM 686 N ASN A 50 1.884 4.994 -13.184 1.00 0.00 N ATOM 687 CA ASN A 50 0.726 4.816 -12.316 1.00 0.00 C ATOM 688 C ASN A 50 1.153 4.340 -10.931 1.00 0.00 C ATOM 689 O ASN A 50 2.289 3.907 -10.734 1.00 0.00 O ATOM 690 CB ASN A 50 -0.251 3.813 -12.933 1.00 0.00 C ATOM 691 CG ASN A 50 0.309 2.404 -12.964 1.00 0.00 C ATOM 692 OD1 ASN A 50 0.943 1.997 -13.938 1.00 0.00 O ATOM 693 ND2 ASN A 50 0.077 1.652 -11.895 1.00 0.00 N ATOM 0 H ASN A 50 2.715 4.483 -12.888 1.00 0.00 H new ATOM 0 HA ASN A 50 0.229 5.781 -12.213 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.181 3.819 -12.364 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.496 4.126 -13.948 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.429 0.695 -11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.453 2.031 -11.110 1.00 0.00 H new ATOM 700 N TYR A 51 0.235 4.422 -9.974 1.00 0.00 N ATOM 701 CA TYR A 51 0.517 4.002 -8.606 1.00 0.00 C ATOM 702 C TYR A 51 -0.362 2.820 -8.208 1.00 0.00 C ATOM 703 O TYR A 51 -1.588 2.929 -8.166 1.00 0.00 O ATOM 704 CB TYR A 51 0.297 5.165 -7.638 1.00 0.00 C ATOM 705 CG TYR A 51 1.312 6.276 -7.785 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.557 6.190 -7.174 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.026 7.411 -8.533 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.488 7.203 -7.305 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.951 8.427 -8.671 1.00 0.00 C ATOM 710 CZ TYR A 51 3.180 8.319 -8.055 1.00 0.00 C ATOM 711 OH TYR A 51 4.104 9.330 -8.188 1.00 0.00 O ATOM 0 H TYR A 51 -0.711 4.775 -10.120 1.00 0.00 H new ATOM 0 HA TYR A 51 1.560 3.689 -8.556 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.701 5.573 -7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.330 4.787 -6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.801 5.317 -6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.064 7.500 -9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.451 7.121 -6.823 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.713 9.302 -9.258 1.00 0.00 H new ATOM 0 HH TYR A 51 4.252 9.755 -7.317 1.00 0.00 H new ATOM 721 N LYS A 52 0.273 1.691 -7.915 1.00 0.00 N ATOM 722 CA LYS A 52 -0.448 0.487 -7.518 1.00 0.00 C ATOM 723 C LYS A 52 -0.604 0.423 -6.002 1.00 0.00 C ATOM 724 O LYS A 52 0.383 0.363 -5.268 1.00 0.00 O ATOM 725 CB LYS A 52 0.284 -0.760 -8.019 1.00 0.00 C ATOM 726 CG LYS A 52 -0.601 -1.991 -8.105 1.00 0.00 C ATOM 727 CD LYS A 52 -1.402 -2.014 -9.396 1.00 0.00 C ATOM 728 CE LYS A 52 -0.600 -2.619 -10.538 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.108 -2.176 -11.867 1.00 0.00 N ATOM 0 H LYS A 52 1.287 1.584 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.440 0.523 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.703 -0.554 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.122 -0.971 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.015 -2.888 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.281 -2.011 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.317 -2.588 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.702 -0.999 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.448 -2.336 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.643 -3.706 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.536 -2.609 -12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.100 -2.469 -11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.043 -1.140 -11.936 1.00 0.00 H new ATOM 743 N LEU A 53 -1.850 0.433 -5.540 1.00 0.00 N ATOM 744 CA LEU A 53 -2.135 0.374 -4.110 1.00 0.00 C ATOM 745 C LEU A 53 -2.709 -0.986 -3.726 1.00 0.00 C ATOM 746 O LEU A 53 -3.732 -1.413 -4.261 1.00 0.00 O ATOM 747 CB LEU A 53 -3.114 1.483 -3.720 1.00 0.00 C ATOM 748 CG LEU A 53 -3.787 1.334 -2.354 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.808 1.665 -1.239 1.00 0.00 C ATOM 750 CD2 LEU A 53 -5.018 2.224 -2.267 1.00 0.00 C ATOM 0 H LEU A 53 -2.678 0.481 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.199 0.518 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.581 2.434 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.892 1.538 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.103 0.298 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.304 1.554 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.956 0.987 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.461 2.692 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.484 2.105 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.725 3.265 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.728 1.940 -3.044 1.00 0.00 H new ATOM 762 N TYR A 54 -2.046 -1.659 -2.793 1.00 0.00 N ATOM 763 CA TYR A 54 -2.490 -2.971 -2.336 1.00 0.00 C ATOM 764 C TYR A 54 -3.162 -2.873 -0.970 1.00 0.00 C ATOM 765 O TYR A 54 -2.911 -1.940 -0.207 1.00 0.00 O ATOM 766 CB TYR A 54 -1.307 -3.938 -2.267 1.00 0.00 C ATOM 767 CG TYR A 54 -0.668 -4.210 -3.610 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.156 -3.173 -4.381 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.575 -5.504 -4.108 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.427 -3.418 -5.609 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.008 -5.758 -5.334 1.00 0.00 C ATOM 772 CZ TYR A 54 0.507 -4.711 -6.081 1.00 0.00 C ATOM 773 OH TYR A 54 1.089 -4.959 -7.303 1.00 0.00 O ATOM 0 H TYR A 54 -1.199 -1.318 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.218 -3.350 -3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.554 -3.531 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.644 -4.881 -1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.215 -2.159 -4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.966 -6.326 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.818 -2.601 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.073 -6.770 -5.706 1.00 0.00 H new ATOM 0 HH TYR A 54 1.066 -5.921 -7.487 1.00 0.00 H new ATOM 783 N TYR A 55 -4.016 -3.845 -0.667 1.00 0.00 N ATOM 784 CA TYR A 55 -4.726 -3.869 0.606 1.00 0.00 C ATOM 785 C TYR A 55 -5.207 -5.279 0.934 1.00 0.00 C ATOM 786 O TYR A 55 -5.775 -5.966 0.086 1.00 0.00 O ATOM 787 CB TYR A 55 -5.915 -2.908 0.569 1.00 0.00 C ATOM 788 CG TYR A 55 -7.020 -3.347 -0.366 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.870 -3.249 -1.744 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.213 -3.858 0.128 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.876 -3.649 -2.602 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.225 -4.261 -0.722 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.051 -4.154 -2.086 1.00 0.00 C ATOM 794 OH TYR A 55 -10.057 -4.553 -2.937 1.00 0.00 O ATOM 0 H TYR A 55 -4.233 -4.626 -1.286 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.034 -3.550 1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.321 -2.807 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.565 -1.921 0.266 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.951 -2.853 -2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.352 -3.942 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.743 -3.567 -3.671 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.146 -4.657 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.130 -5.530 -2.921 1.00 0.00 H new ATOM 804 N MET A 56 -4.977 -5.702 2.173 1.00 0.00 N ATOM 805 CA MET A 56 -5.388 -7.030 2.615 1.00 0.00 C ATOM 806 C MET A 56 -5.648 -7.045 4.118 1.00 0.00 C ATOM 807 O MET A 56 -5.184 -6.168 4.846 1.00 0.00 O ATOM 808 CB MET A 56 -4.317 -8.064 2.261 1.00 0.00 C ATOM 809 CG MET A 56 -3.277 -8.259 3.351 1.00 0.00 C ATOM 810 SD MET A 56 -1.755 -9.004 2.734 1.00 0.00 S ATOM 811 CE MET A 56 -1.488 -10.289 3.952 1.00 0.00 C ATOM 0 H MET A 56 -4.509 -5.145 2.888 1.00 0.00 H new ATOM 0 HA MET A 56 -6.314 -7.287 2.100 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.800 -9.019 2.056 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.816 -7.756 1.343 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.047 -7.295 3.805 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.693 -8.890 4.136 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.580 -10.840 3.707 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.383 -9.839 4.939 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.338 -10.972 3.953 1.00 0.00 H new ATOM 821 N GLU A 57 -6.393 -8.047 4.575 1.00 0.00 N ATOM 822 CA GLU A 57 -6.715 -8.175 5.992 1.00 0.00 C ATOM 823 C GLU A 57 -5.659 -9.003 6.717 1.00 0.00 C ATOM 824 O GLU A 57 -5.255 -10.066 6.246 1.00 0.00 O ATOM 825 CB GLU A 57 -8.092 -8.816 6.169 1.00 0.00 C ATOM 826 CG GLU A 57 -8.497 -8.998 7.622 1.00 0.00 C ATOM 827 CD GLU A 57 -9.923 -9.491 7.773 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.756 -9.173 6.898 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.207 -10.193 8.766 1.00 0.00 O ATOM 0 H GLU A 57 -6.785 -8.781 3.985 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.729 -7.176 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.838 -8.199 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.097 -9.788 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.819 -9.707 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.387 -8.049 8.147 1.00 0.00 H new ATOM 836 N LYS A 58 -5.215 -8.508 7.868 1.00 0.00 N ATOM 837 CA LYS A 58 -4.206 -9.201 8.661 1.00 0.00 C ATOM 838 C LYS A 58 -4.668 -10.610 9.017 1.00 0.00 C ATOM 839 O LYS A 58 -5.423 -10.804 9.969 1.00 0.00 O ATOM 840 CB LYS A 58 -3.903 -8.414 9.938 1.00 0.00 C ATOM 841 CG LYS A 58 -2.480 -8.592 10.439 1.00 0.00 C ATOM 842 CD LYS A 58 -1.545 -7.553 9.844 1.00 0.00 C ATOM 843 CE LYS A 58 -0.121 -7.729 10.350 1.00 0.00 C ATOM 844 NZ LYS A 58 0.519 -8.952 9.791 1.00 0.00 N ATOM 0 H LYS A 58 -5.538 -7.629 8.272 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.298 -9.276 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.085 -7.355 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.596 -8.725 10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.464 -8.517 11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.126 -9.591 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.558 -7.630 8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.901 -6.554 10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.471 -6.854 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.127 -7.787 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.522 -8.974 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.040 -9.796 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.442 -8.941 8.754 1.00 0.00 H new ATOM 858 N GLY A 59 -4.207 -11.592 8.248 1.00 0.00 N ATOM 859 CA GLY A 59 -4.583 -12.971 8.500 1.00 0.00 C ATOM 860 C GLY A 59 -5.369 -13.576 7.354 1.00 0.00 C ATOM 861 O GLY A 59 -6.322 -14.325 7.572 1.00 0.00 O ATOM 0 H GLY A 59 -3.580 -11.457 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.685 -13.564 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.179 -13.021 9.412 1.00 0.00 H new ATOM 865 N THR A 60 -4.972 -13.249 6.128 1.00 0.00 N ATOM 866 CA THR A 60 -5.648 -13.764 4.943 1.00 0.00 C ATOM 867 C THR A 60 -4.660 -14.429 3.992 1.00 0.00 C ATOM 868 O THR A 60 -5.016 -15.349 3.256 1.00 0.00 O ATOM 869 CB THR A 60 -6.393 -12.645 4.192 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.853 -11.654 5.118 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.575 -13.208 3.416 1.00 0.00 C ATOM 0 H THR A 60 -4.186 -12.630 5.930 1.00 0.00 H new ATOM 0 HA THR A 60 -6.370 -14.504 5.287 1.00 0.00 H new ATOM 0 HB THR A 60 -5.699 -12.188 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.177 -10.949 5.206 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.086 -12.399 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.219 -13.940 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.268 -13.689 4.107 1.00 0.00 H new ATOM 879 N ASP A 61 -3.418 -13.958 4.012 1.00 0.00 N ATOM 880 CA ASP A 61 -2.377 -14.508 3.151 1.00 0.00 C ATOM 881 C ASP A 61 -2.689 -14.241 1.682 1.00 0.00 C ATOM 882 O ASP A 61 -2.340 -15.034 0.808 1.00 0.00 O ATOM 883 CB ASP A 61 -2.232 -16.012 3.389 1.00 0.00 C ATOM 884 CG ASP A 61 -0.895 -16.547 2.916 1.00 0.00 C ATOM 885 OD1 ASP A 61 0.081 -15.768 2.893 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.824 -17.744 2.569 1.00 0.00 O ATOM 0 H ASP A 61 -3.107 -13.196 4.615 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.437 -14.016 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.348 -16.221 4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.034 -16.538 2.871 1.00 0.00 H new ATOM 891 N LYS A 62 -3.348 -13.118 1.418 1.00 0.00 N ATOM 892 CA LYS A 62 -3.708 -12.744 0.055 1.00 0.00 C ATOM 893 C LYS A 62 -3.779 -11.227 -0.092 1.00 0.00 C ATOM 894 O LYS A 62 -4.623 -10.575 0.520 1.00 0.00 O ATOM 895 CB LYS A 62 -5.051 -13.368 -0.330 1.00 0.00 C ATOM 896 CG LYS A 62 -4.924 -14.741 -0.965 1.00 0.00 C ATOM 897 CD LYS A 62 -4.678 -14.643 -2.461 1.00 0.00 C ATOM 898 CE LYS A 62 -4.727 -16.011 -3.126 1.00 0.00 C ATOM 899 NZ LYS A 62 -6.120 -16.413 -3.465 1.00 0.00 N ATOM 0 H LYS A 62 -3.644 -12.450 2.130 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.935 -13.121 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.675 -13.445 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.566 -12.703 -1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.105 -15.286 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.833 -15.313 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.427 -13.991 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.706 -14.184 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.122 -15.996 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.286 -16.754 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.111 -17.350 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.691 -16.452 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.532 -15.718 -4.119 1.00 0.00 H new ATOM 913 N GLU A 63 -2.888 -10.674 -0.909 1.00 0.00 N ATOM 914 CA GLU A 63 -2.852 -9.234 -1.136 1.00 0.00 C ATOM 915 C GLU A 63 -3.600 -8.866 -2.414 1.00 0.00 C ATOM 916 O GLU A 63 -3.690 -9.667 -3.345 1.00 0.00 O ATOM 917 CB GLU A 63 -1.404 -8.745 -1.221 1.00 0.00 C ATOM 918 CG GLU A 63 -1.241 -7.268 -0.906 1.00 0.00 C ATOM 919 CD GLU A 63 -1.093 -7.001 0.580 1.00 0.00 C ATOM 920 OE1 GLU A 63 -0.035 -7.353 1.142 1.00 0.00 O ATOM 921 OE2 GLU A 63 -2.035 -6.441 1.179 1.00 0.00 O ATOM 0 H GLU A 63 -2.182 -11.201 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.344 -8.747 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.792 -9.325 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.022 -8.938 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.366 -6.883 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.105 -6.722 -1.285 1.00 0.00 H new ATOM 928 N GLN A 64 -4.134 -7.649 -2.451 1.00 0.00 N ATOM 929 CA GLN A 64 -4.875 -7.176 -3.614 1.00 0.00 C ATOM 930 C GLN A 64 -4.168 -5.991 -4.264 1.00 0.00 C ATOM 931 O GLN A 64 -3.109 -5.561 -3.808 1.00 0.00 O ATOM 932 CB GLN A 64 -6.297 -6.779 -3.211 1.00 0.00 C ATOM 933 CG GLN A 64 -7.198 -7.966 -2.914 1.00 0.00 C ATOM 934 CD GLN A 64 -8.616 -7.551 -2.573 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.310 -6.943 -3.389 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.055 -7.878 -1.363 1.00 0.00 N ATOM 0 H GLN A 64 -4.067 -6.974 -1.690 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.924 -7.989 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.251 -6.139 -2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.741 -6.188 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.216 -8.629 -3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.780 -8.536 -2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.446 -8.382 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.001 -7.625 -1.078 1.00 0.00 H new ATOM 945 N ASP A 65 -4.761 -5.468 -5.332 1.00 0.00 N ATOM 946 CA ASP A 65 -4.189 -4.332 -6.045 1.00 0.00 C ATOM 947 C ASP A 65 -5.284 -3.485 -6.685 1.00 0.00 C ATOM 948 O ASP A 65 -6.241 -4.012 -7.251 1.00 0.00 O ATOM 949 CB ASP A 65 -3.210 -4.816 -7.116 1.00 0.00 C ATOM 950 CG ASP A 65 -3.904 -5.171 -8.416 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.995 -5.777 -8.361 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.356 -4.843 -9.489 1.00 0.00 O ATOM 0 H ASP A 65 -5.638 -5.813 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.652 -3.715 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.468 -4.040 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.672 -5.688 -6.745 1.00 0.00 H new ATOM 957 N VAL A 66 -5.137 -2.167 -6.590 1.00 0.00 N ATOM 958 CA VAL A 66 -6.113 -1.245 -7.159 1.00 0.00 C ATOM 959 C VAL A 66 -5.426 -0.130 -7.938 1.00 0.00 C ATOM 960 O VAL A 66 -4.314 0.280 -7.606 1.00 0.00 O ATOM 961 CB VAL A 66 -7.000 -0.622 -6.065 1.00 0.00 C ATOM 962 CG1 VAL A 66 -8.025 -1.631 -5.570 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.147 -0.108 -4.916 1.00 0.00 C ATOM 0 H VAL A 66 -4.351 -1.714 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.739 -1.825 -7.837 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.537 0.224 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.643 -1.173 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.657 -1.945 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.511 -2.499 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.790 0.329 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.581 -0.934 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.457 0.650 -5.286 1.00 0.00 H new ATOM 973 N ASP A 67 -6.096 0.359 -8.976 1.00 0.00 N ATOM 974 CA ASP A 67 -5.551 1.429 -9.803 1.00 0.00 C ATOM 975 C ASP A 67 -5.847 2.794 -9.189 1.00 0.00 C ATOM 976 O ASP A 67 -7.003 3.137 -8.938 1.00 0.00 O ATOM 977 CB ASP A 67 -6.131 1.356 -11.216 1.00 0.00 C ATOM 978 CG ASP A 67 -5.284 2.102 -12.228 1.00 0.00 C ATOM 979 OD1 ASP A 67 -4.080 2.301 -11.963 1.00 0.00 O ATOM 980 OD2 ASP A 67 -5.825 2.486 -13.286 1.00 0.00 O ATOM 0 H ASP A 67 -7.018 0.031 -9.265 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.470 1.300 -9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.216 0.312 -11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.139 1.771 -11.214 1.00 0.00 H new ATOM 985 N VAL A 68 -4.794 3.569 -8.947 1.00 0.00 N ATOM 986 CA VAL A 68 -4.941 4.897 -8.362 1.00 0.00 C ATOM 987 C VAL A 68 -4.175 5.940 -9.168 1.00 0.00 C ATOM 988 O VAL A 68 -2.995 5.762 -9.470 1.00 0.00 O ATOM 989 CB VAL A 68 -4.445 4.925 -6.904 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.899 6.201 -6.211 1.00 0.00 C ATOM 991 CG2 VAL A 68 -4.935 3.697 -6.152 1.00 0.00 C ATOM 0 H VAL A 68 -3.831 3.300 -9.147 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.004 5.136 -8.381 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.355 4.910 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.540 6.204 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.495 7.065 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.988 6.250 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.576 3.733 -5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.025 3.679 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.556 2.798 -6.638 1.00 0.00 H new ATOM 1001 N SER A 69 -4.854 7.029 -9.513 1.00 0.00 N ATOM 1002 CA SER A 69 -4.239 8.100 -10.287 1.00 0.00 C ATOM 1003 C SER A 69 -3.753 9.222 -9.373 1.00 0.00 C ATOM 1004 O SER A 69 -2.861 9.989 -9.734 1.00 0.00 O ATOM 1005 CB SER A 69 -5.232 8.655 -11.310 1.00 0.00 C ATOM 1006 OG SER A 69 -5.318 7.813 -12.447 1.00 0.00 O ATOM 0 H SER A 69 -5.831 7.193 -9.269 1.00 0.00 H new ATOM 0 HA SER A 69 -3.379 7.685 -10.814 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.216 8.752 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.923 9.654 -11.616 1.00 0.00 H new ATOM 0 HG SER A 69 -5.960 8.189 -13.085 1.00 0.00 H new ATOM 1012 N SER A 70 -4.348 9.309 -8.188 1.00 0.00 N ATOM 1013 CA SER A 70 -3.980 10.338 -7.222 1.00 0.00 C ATOM 1014 C SER A 70 -3.085 9.762 -6.130 1.00 0.00 C ATOM 1015 O SER A 70 -2.971 8.545 -5.981 1.00 0.00 O ATOM 1016 CB SER A 70 -5.234 10.954 -6.598 1.00 0.00 C ATOM 1017 OG SER A 70 -5.001 12.294 -6.203 1.00 0.00 O ATOM 0 H SER A 70 -5.087 8.680 -7.873 1.00 0.00 H new ATOM 0 HA SER A 70 -3.426 11.115 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.055 10.920 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.541 10.365 -5.734 1.00 0.00 H new ATOM 0 HG SER A 70 -5.818 12.666 -5.809 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.450 10.646 -5.366 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.564 10.227 -4.286 1.00 0.00 C ATOM 1025 C HIS A 71 -2.360 9.905 -3.025 1.00 0.00 C ATOM 1026 O HIS A 71 -1.794 9.760 -1.942 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.536 11.319 -3.988 1.00 0.00 C ATOM 1028 CG HIS A 71 0.407 11.579 -5.122 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.374 12.730 -5.881 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.415 10.828 -5.625 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.319 12.676 -6.801 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.966 11.532 -6.667 1.00 0.00 N ATOM 0 H HIS A 71 -2.533 11.657 -5.475 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.043 9.325 -4.607 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.060 12.243 -3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.038 11.035 -3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.727 9.856 -5.272 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.528 13.437 -7.538 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.748 11.222 -7.244 1.00 0.00 H new ATOM 1041 N SER A 72 -3.677 9.795 -3.174 1.00 0.00 N ATOM 1042 CA SER A 72 -4.551 9.494 -2.046 1.00 0.00 C ATOM 1043 C SER A 72 -5.792 8.735 -2.508 1.00 0.00 C ATOM 1044 O SER A 72 -6.587 9.245 -3.298 1.00 0.00 O ATOM 1045 CB SER A 72 -4.964 10.784 -1.335 1.00 0.00 C ATOM 1046 OG SER A 72 -5.528 11.710 -2.247 1.00 0.00 O ATOM 0 H SER A 72 -4.161 9.910 -4.064 1.00 0.00 H new ATOM 0 HA SER A 72 -3.999 8.864 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.686 10.556 -0.551 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.096 11.230 -0.850 1.00 0.00 H new ATOM 0 HG SER A 72 -6.068 11.230 -2.909 1.00 0.00 H new ATOM 1052 N TYR A 73 -5.950 7.514 -2.010 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.091 6.682 -2.373 1.00 0.00 C ATOM 1054 C TYR A 73 -7.860 6.241 -1.131 1.00 0.00 C ATOM 1055 O TYR A 73 -7.318 6.220 -0.025 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.626 5.457 -3.161 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.762 4.614 -3.696 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.375 4.923 -4.904 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.223 3.508 -2.992 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.413 4.156 -5.395 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.260 2.734 -3.476 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.852 3.063 -4.678 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.886 2.295 -5.164 1.00 0.00 O ATOM 0 H TYR A 73 -5.302 7.078 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.757 7.276 -2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.005 5.786 -3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.998 4.840 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.034 5.778 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.763 3.249 -2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.879 4.411 -6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.605 1.877 -2.917 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.072 1.563 -4.539 1.00 0.00 H new ATOM 1073 N THR A 74 -9.127 5.886 -1.322 1.00 0.00 N ATOM 1074 CA THR A 74 -9.971 5.445 -0.219 1.00 0.00 C ATOM 1075 C THR A 74 -10.618 4.099 -0.527 1.00 0.00 C ATOM 1076 O THR A 74 -11.335 3.956 -1.517 1.00 0.00 O ATOM 1077 CB THR A 74 -11.076 6.474 0.089 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.496 7.764 0.309 1.00 0.00 O ATOM 1079 CG2 THR A 74 -11.877 6.057 1.313 1.00 0.00 C ATOM 0 H THR A 74 -9.591 5.895 -2.230 1.00 0.00 H new ATOM 0 HA THR A 74 -9.325 5.344 0.653 1.00 0.00 H new ATOM 0 HB THR A 74 -11.749 6.520 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.292 7.873 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.651 6.798 1.511 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.341 5.088 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.214 5.986 2.175 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.360 3.115 0.329 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.919 1.781 0.148 1.00 0.00 C ATOM 1089 C ILE A 75 -12.145 1.575 1.032 1.00 0.00 C ATOM 1090 O ILE A 75 -12.072 1.706 2.252 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.881 0.688 0.467 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.733 0.735 -0.544 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.540 -0.683 0.466 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.505 -0.027 -0.099 1.00 0.00 C ATOM 0 H ILE A 75 -9.768 3.217 1.154 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.210 1.700 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.473 0.872 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.079 0.328 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.460 1.775 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.795 -1.445 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.327 -0.709 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.972 -0.878 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.732 0.050 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.134 0.395 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.762 -1.075 0.053 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.271 1.250 0.405 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.513 1.024 1.134 1.00 0.00 C ATOM 1108 C ASN A 76 -14.878 -0.458 1.141 1.00 0.00 C ATOM 1109 O ASN A 76 -14.428 -1.223 0.289 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.650 1.837 0.511 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.380 3.329 0.546 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.910 4.047 1.394 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.551 3.802 -0.378 1.00 0.00 N ATOM 0 H ASN A 76 -13.349 1.137 -0.606 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.365 1.349 2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.795 1.521 -0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.578 1.626 1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.331 4.798 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.135 3.170 -1.061 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.698 -0.855 2.110 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.110 -2.243 2.210 1.00 0.00 C ATOM 1122 C GLY A 77 -15.222 -3.046 3.139 1.00 0.00 C ATOM 1123 O GLY A 77 -14.728 -4.113 2.771 1.00 0.00 O ATOM 0 H GLY A 77 -16.084 -0.240 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.139 -2.288 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.096 -2.695 1.218 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.016 -2.533 4.347 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.179 -3.209 5.333 1.00 0.00 C ATOM 1129 C LEU A 78 -14.926 -3.387 6.651 1.00 0.00 C ATOM 1130 O LEU A 78 -15.983 -2.792 6.863 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.891 -2.417 5.566 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.162 -1.936 4.311 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -10.963 -1.079 4.686 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.727 -3.121 3.461 1.00 0.00 C ATOM 0 H LEU A 78 -15.417 -1.651 4.668 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.926 -4.195 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.129 -1.548 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.206 -3.037 6.144 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.850 -1.326 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.456 -0.746 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.299 -0.211 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.273 -1.665 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.210 -2.761 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.056 -3.756 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.604 -3.696 3.163 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.369 -4.208 7.534 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.979 -4.463 8.834 1.00 0.00 C ATOM 1148 C LYS A 79 -14.610 -3.370 9.832 1.00 0.00 C ATOM 1149 O LYS A 79 -13.632 -2.647 9.643 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.538 -5.827 9.369 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.069 -6.998 8.560 1.00 0.00 C ATOM 1152 CD LYS A 79 -14.610 -8.327 9.136 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.461 -8.742 10.326 1.00 0.00 C ATOM 1154 NZ LYS A 79 -15.463 -10.219 10.519 1.00 0.00 N ATOM 0 H LYS A 79 -13.495 -4.709 7.373 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.061 -4.463 8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.449 -5.868 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.872 -5.928 10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.158 -6.965 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.730 -6.911 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.661 -9.096 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.567 -8.251 9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.085 -8.259 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.483 -8.393 10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.054 -10.461 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.846 -10.680 9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.491 -10.549 10.684 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.397 -3.256 10.896 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.152 -2.254 11.926 1.00 0.00 C ATOM 1170 C LYS A 80 -14.108 -2.744 12.924 1.00 0.00 C ATOM 1171 O LYS A 80 -14.145 -3.894 13.362 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.453 -1.916 12.658 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.545 -1.386 11.744 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.400 -2.511 11.186 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.641 -1.974 10.489 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.600 -3.061 10.149 1.00 0.00 N ATOM 0 H LYS A 80 -16.211 -3.846 11.068 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.772 -1.355 11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.817 -2.809 13.165 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.244 -1.174 13.429 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.175 -0.688 12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.095 -0.828 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.813 -3.101 10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.696 -3.180 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.132 -1.245 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.348 -1.450 9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.432 -2.654 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.140 -3.744 9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.899 -3.545 11.020 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.179 -1.864 13.281 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.124 -2.207 14.227 1.00 0.00 C ATOM 1192 C TYR A 81 -11.303 -3.390 13.721 1.00 0.00 C ATOM 1193 O TYR A 81 -10.975 -4.303 14.479 1.00 0.00 O ATOM 1194 CB TYR A 81 -12.724 -2.536 15.595 1.00 0.00 C ATOM 1195 CG TYR A 81 -11.800 -2.226 16.751 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.435 -0.918 17.043 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.294 -3.242 17.553 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.591 -0.630 18.098 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.451 -2.963 18.611 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.102 -1.656 18.879 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.262 -1.373 19.932 1.00 0.00 O ATOM 0 H TYR A 81 -13.135 -0.908 12.929 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.464 -1.345 14.325 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.650 -1.975 15.721 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.985 -3.594 15.623 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.818 -0.112 16.435 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.564 -4.267 17.346 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.316 0.393 18.310 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.067 -3.764 19.225 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.009 -2.206 20.381 1.00 0.00 H new ATOM 1211 N THR A 82 -10.973 -3.365 12.434 1.00 0.00 N ATOM 1212 CA THR A 82 -10.191 -4.434 11.825 1.00 0.00 C ATOM 1213 C THR A 82 -8.915 -3.890 11.192 1.00 0.00 C ATOM 1214 O THR A 82 -8.934 -2.853 10.529 1.00 0.00 O ATOM 1215 CB THR A 82 -11.003 -5.184 10.752 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.168 -5.772 11.342 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.161 -6.266 10.094 1.00 0.00 C ATOM 0 H THR A 82 -11.235 -2.616 11.793 1.00 0.00 H new ATOM 0 HA THR A 82 -9.930 -5.128 12.624 1.00 0.00 H new ATOM 0 HB THR A 82 -11.305 -4.467 9.989 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.297 -6.674 10.982 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.756 -6.782 9.340 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.290 -5.812 9.621 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.833 -6.981 10.849 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.808 -4.596 11.401 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.523 -4.182 10.850 1.00 0.00 C ATOM 1227 C GLU A 83 -6.437 -4.514 9.363 1.00 0.00 C ATOM 1228 O GLU A 83 -7.032 -5.486 8.897 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.378 -4.861 11.602 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.097 -4.044 11.628 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.033 -4.655 12.518 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -2.347 -5.595 12.065 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.886 -4.193 13.669 1.00 0.00 O ATOM 0 H GLU A 83 -7.775 -5.457 11.947 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.436 -3.102 10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.694 -5.058 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.174 -5.827 11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.708 -3.953 10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.321 -3.035 11.976 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.693 -3.699 8.623 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.531 -3.903 7.189 1.00 0.00 C ATOM 1242 C TYR A 84 -4.161 -3.421 6.721 1.00 0.00 C ATOM 1243 O TYR A 84 -3.767 -2.285 6.985 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.631 -3.169 6.420 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.014 -3.735 6.654 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.429 -4.896 6.014 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.905 -3.109 7.517 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.691 -5.416 6.225 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.169 -3.622 7.735 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.557 -4.775 7.086 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.815 -5.291 7.300 1.00 0.00 O ATOM 0 H TYR A 84 -5.193 -2.891 8.993 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.608 -4.972 6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.624 -2.118 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.407 -3.209 5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.753 -5.401 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.604 -2.205 8.026 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.998 -6.319 5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.849 -3.123 8.410 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.791 -6.265 7.197 1.00 0.00 H new ATOM 1261 N SER A 85 -3.439 -4.294 6.025 1.00 0.00 N ATOM 1262 CA SER A 85 -2.112 -3.960 5.523 1.00 0.00 C ATOM 1263 C SER A 85 -2.205 -3.196 4.206 1.00 0.00 C ATOM 1264 O SER A 85 -3.017 -3.525 3.340 1.00 0.00 O ATOM 1265 CB SER A 85 -1.282 -5.231 5.330 1.00 0.00 C ATOM 1266 OG SER A 85 0.102 -4.964 5.481 1.00 0.00 O ATOM 0 H SER A 85 -3.751 -5.238 5.796 1.00 0.00 H new ATOM 0 HA SER A 85 -1.623 -3.322 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.591 -5.985 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.470 -5.645 4.339 1.00 0.00 H new ATOM 0 HG SER A 85 0.620 -5.620 4.969 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.369 -2.174 4.061 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.356 -1.361 2.851 1.00 0.00 C ATOM 1274 C PHE A 86 0.073 -1.097 2.387 1.00 0.00 C ATOM 1275 O PHE A 86 0.959 -0.823 3.196 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.078 -0.034 3.095 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.532 -0.197 3.436 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.459 -0.496 2.451 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.971 -0.050 4.742 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.797 -0.645 2.762 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.308 -0.198 5.059 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.222 -0.497 4.068 1.00 0.00 C ATOM 0 H PHE A 86 -0.691 -1.889 4.767 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.877 -1.912 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.580 0.498 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.989 0.588 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.132 -0.614 1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.260 0.183 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.510 -0.877 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.638 -0.080 6.081 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.267 -0.615 4.314 1.00 0.00 H new ATOM 1292 N ARG A 87 0.290 -1.184 1.078 1.00 0.00 N ATOM 1293 CA ARG A 87 1.611 -0.957 0.506 1.00 0.00 C ATOM 1294 C ARG A 87 1.503 -0.308 -0.871 1.00 0.00 C ATOM 1295 O ARG A 87 0.736 -0.758 -1.722 1.00 0.00 O ATOM 1296 CB ARG A 87 2.379 -2.276 0.402 1.00 0.00 C ATOM 1297 CG ARG A 87 1.727 -3.288 -0.527 1.00 0.00 C ATOM 1298 CD ARG A 87 2.644 -4.471 -0.792 1.00 0.00 C ATOM 1299 NE ARG A 87 2.261 -5.201 -1.998 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.015 -6.138 -2.561 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.187 -6.459 -2.029 1.00 0.00 N ATOM 1302 NH2 ARG A 87 2.598 -6.758 -3.657 1.00 0.00 N ATOM 0 H ARG A 87 -0.432 -1.410 0.394 1.00 0.00 H new ATOM 0 HA ARG A 87 2.154 -0.280 1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.390 -2.071 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.470 -2.713 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.795 -3.640 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.471 -2.806 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.671 -4.119 -0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.621 -5.146 0.063 1.00 0.00 H new ATOM 0 HE ARG A 87 1.365 -4.979 -2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.511 -5.986 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.764 -7.179 -2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.697 -6.515 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.178 -7.477 -4.088 1.00 0.00 H new ATOM 1316 N VAL A 88 2.277 0.752 -1.083 1.00 0.00 N ATOM 1317 CA VAL A 88 2.269 1.462 -2.356 1.00 0.00 C ATOM 1318 C VAL A 88 3.406 0.990 -3.256 1.00 0.00 C ATOM 1319 O VAL A 88 4.510 0.715 -2.787 1.00 0.00 O ATOM 1320 CB VAL A 88 2.389 2.984 -2.151 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.761 3.671 -3.456 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.092 3.549 -1.592 1.00 0.00 C ATOM 0 H VAL A 88 2.917 1.138 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 88 1.315 1.242 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 88 3.183 3.175 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.841 4.746 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.717 3.286 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.992 3.475 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.194 4.625 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.278 3.348 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.874 3.079 -0.633 1.00 0.00 H new ATOM 1332 N VAL A 89 3.128 0.899 -4.553 1.00 0.00 N ATOM 1333 CA VAL A 89 4.128 0.462 -5.520 1.00 0.00 C ATOM 1334 C VAL A 89 4.155 1.381 -6.736 1.00 0.00 C ATOM 1335 O VAL A 89 3.115 1.692 -7.315 1.00 0.00 O ATOM 1336 CB VAL A 89 3.863 -0.982 -5.987 1.00 0.00 C ATOM 1337 CG1 VAL A 89 4.901 -1.410 -7.013 1.00 0.00 C ATOM 1338 CG2 VAL A 89 3.852 -1.932 -4.799 1.00 0.00 C ATOM 0 H VAL A 89 2.219 1.122 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 89 5.094 0.502 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 89 2.882 -1.018 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.698 -2.432 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.855 -0.745 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.895 -1.359 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.663 -2.948 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.817 -1.895 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.067 -1.635 -4.103 1.00 0.00 H new ATOM 1348 N ALA A 90 5.353 1.812 -7.118 1.00 0.00 N ATOM 1349 CA ALA A 90 5.516 2.694 -8.267 1.00 0.00 C ATOM 1350 C ALA A 90 5.651 1.894 -9.558 1.00 0.00 C ATOM 1351 O ALA A 90 6.427 0.941 -9.632 1.00 0.00 O ATOM 1352 CB ALA A 90 6.727 3.594 -8.073 1.00 0.00 C ATOM 0 H ALA A 90 6.224 1.565 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 90 4.624 3.315 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.837 4.247 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.591 4.199 -7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.622 2.981 -7.965 1.00 0.00 H new ATOM 1358 N TYR A 91 4.889 2.286 -10.573 1.00 0.00 N ATOM 1359 CA TYR A 91 4.921 1.603 -11.861 1.00 0.00 C ATOM 1360 C TYR A 91 5.291 2.570 -12.982 1.00 0.00 C ATOM 1361 O TYR A 91 4.573 3.533 -13.248 1.00 0.00 O ATOM 1362 CB TYR A 91 3.565 0.960 -12.155 1.00 0.00 C ATOM 1363 CG TYR A 91 3.417 -0.431 -11.580 1.00 0.00 C ATOM 1364 CD1 TYR A 91 2.961 -0.624 -10.282 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.734 -1.553 -12.337 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.826 -1.892 -9.753 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.600 -2.826 -11.816 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.146 -2.990 -10.524 1.00 0.00 C ATOM 1369 OH TYR A 91 3.011 -4.256 -10.002 1.00 0.00 O ATOM 0 H TYR A 91 4.242 3.073 -10.529 1.00 0.00 H new ATOM 0 HA TYR A 91 5.682 0.824 -11.811 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.776 1.596 -11.753 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.420 0.915 -13.234 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.708 0.233 -9.676 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.091 -1.428 -13.349 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.472 -2.023 -8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.849 -3.688 -12.417 1.00 0.00 H new ATOM 0 HH TYR A 91 3.277 -4.917 -10.675 1.00 0.00 H new ATOM 1379 N ASN A 92 6.417 2.305 -13.636 1.00 0.00 N ATOM 1380 CA ASN A 92 6.884 3.151 -14.728 1.00 0.00 C ATOM 1381 C ASN A 92 7.345 2.305 -15.912 1.00 0.00 C ATOM 1382 O ASN A 92 7.514 1.092 -15.794 1.00 0.00 O ATOM 1383 CB ASN A 92 8.028 4.049 -14.253 1.00 0.00 C ATOM 1384 CG ASN A 92 9.223 3.253 -13.764 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.144 2.037 -13.591 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.337 3.938 -13.538 1.00 0.00 N ATOM 0 H ASN A 92 7.023 1.511 -13.429 1.00 0.00 H new ATOM 0 HA ASN A 92 6.052 3.776 -15.052 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.338 4.700 -15.070 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.671 4.694 -13.450 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.173 3.457 -13.207 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.357 4.946 -13.695 1.00 0.00 H new ATOM 1393 N LYS A 93 7.546 2.955 -17.053 1.00 0.00 N ATOM 1394 CA LYS A 93 7.989 2.266 -18.259 1.00 0.00 C ATOM 1395 C LYS A 93 9.030 1.202 -17.926 1.00 0.00 C ATOM 1396 O LYS A 93 9.018 0.109 -18.493 1.00 0.00 O ATOM 1397 CB LYS A 93 8.570 3.267 -19.260 1.00 0.00 C ATOM 1398 CG LYS A 93 9.872 3.901 -18.800 1.00 0.00 C ATOM 1399 CD LYS A 93 11.076 3.098 -19.262 1.00 0.00 C ATOM 1400 CE LYS A 93 11.351 3.307 -20.743 1.00 0.00 C ATOM 1401 NZ LYS A 93 12.136 4.548 -20.992 1.00 0.00 N ATOM 0 H LYS A 93 7.409 3.959 -17.168 1.00 0.00 H new ATOM 0 HA LYS A 93 7.124 1.776 -18.706 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.738 2.761 -20.211 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.837 4.053 -19.442 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.940 4.917 -19.188 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.878 3.974 -17.712 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.953 3.389 -18.684 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.904 2.039 -19.069 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.895 2.448 -21.136 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.406 3.360 -21.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.303 4.654 -22.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.606 5.371 -20.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.049 4.487 -20.497 1.00 0.00 H new ATOM 1415 N HIS A 94 9.928 1.528 -17.003 1.00 0.00 N ATOM 1416 CA HIS A 94 10.975 0.598 -16.593 1.00 0.00 C ATOM 1417 C HIS A 94 10.373 -0.672 -16.000 1.00 0.00 C ATOM 1418 O HIS A 94 10.482 -1.751 -16.580 1.00 0.00 O ATOM 1419 CB HIS A 94 11.903 1.260 -15.574 1.00 0.00 C ATOM 1420 CG HIS A 94 12.669 2.422 -16.127 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.607 2.297 -17.130 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.630 3.738 -15.813 1.00 0.00 C ATOM 1423 CE1 HIS A 94 14.113 3.485 -17.407 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.537 4.377 -16.622 1.00 0.00 N ATOM 0 H HIS A 94 9.952 2.428 -16.525 1.00 0.00 H new ATOM 0 HA HIS A 94 11.552 0.327 -17.477 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.312 1.597 -14.722 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.607 0.517 -15.199 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.002 4.200 -15.065 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.869 3.692 -18.150 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.734 5.378 -16.617 1.00 0.00 H new ATOM 1433 N GLY A 95 9.737 -0.535 -14.841 1.00 0.00 N ATOM 1434 CA GLY A 95 9.127 -1.679 -14.189 1.00 0.00 C ATOM 1435 C GLY A 95 8.751 -1.393 -12.749 1.00 0.00 C ATOM 1436 O GLY A 95 9.075 -0.342 -12.197 1.00 0.00 O ATOM 0 H GLY A 95 9.633 0.348 -14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.236 -1.976 -14.742 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.817 -2.522 -14.221 1.00 0.00 H new ATOM 1440 N PRO A 96 8.048 -2.345 -12.117 1.00 0.00 N ATOM 1441 CA PRO A 96 7.611 -2.213 -10.724 1.00 0.00 C ATOM 1442 C PRO A 96 8.775 -2.283 -9.742 1.00 0.00 C ATOM 1443 O PRO A 96 9.231 -3.366 -9.380 1.00 0.00 O ATOM 1444 CB PRO A 96 6.676 -3.409 -10.531 1.00 0.00 C ATOM 1445 CG PRO A 96 7.133 -4.413 -11.532 1.00 0.00 C ATOM 1446 CD PRO A 96 7.627 -3.624 -12.713 1.00 0.00 C ATOM 0 HA PRO A 96 7.138 -1.249 -10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.742 -3.803 -9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.636 -3.129 -10.698 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.925 -5.040 -11.122 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.318 -5.077 -11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.455 -4.126 -13.214 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.844 -3.482 -13.457 1.00 0.00 H new ATOM 1454 N GLY A 97 9.252 -1.118 -9.312 1.00 0.00 N ATOM 1455 CA GLY A 97 10.359 -1.070 -8.375 1.00 0.00 C ATOM 1456 C GLY A 97 10.003 -1.664 -7.027 1.00 0.00 C ATOM 1457 O GLY A 97 8.956 -2.293 -6.874 1.00 0.00 O ATOM 0 H GLY A 97 8.891 -0.207 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.209 -1.609 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.673 -0.035 -8.241 1.00 0.00 H new ATOM 1461 N VAL A 98 10.878 -1.465 -6.045 1.00 0.00 N ATOM 1462 CA VAL A 98 10.651 -1.986 -4.703 1.00 0.00 C ATOM 1463 C VAL A 98 9.234 -1.684 -4.228 1.00 0.00 C ATOM 1464 O VAL A 98 8.474 -0.996 -4.908 1.00 0.00 O ATOM 1465 CB VAL A 98 11.656 -1.397 -3.695 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.041 -1.985 -3.915 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.688 0.120 -3.802 1.00 0.00 C ATOM 0 H VAL A 98 11.750 -0.947 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 98 10.791 -3.066 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 98 11.332 -1.661 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.737 -1.557 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.002 -3.066 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.378 -1.754 -4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.403 0.520 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.987 0.407 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.697 0.521 -3.590 1.00 0.00 H new ATOM 1477 N SER A 99 8.886 -2.203 -3.055 1.00 0.00 N ATOM 1478 CA SER A 99 7.559 -1.992 -2.489 1.00 0.00 C ATOM 1479 C SER A 99 7.655 -1.454 -1.065 1.00 0.00 C ATOM 1480 O SER A 99 8.452 -1.934 -0.259 1.00 0.00 O ATOM 1481 CB SER A 99 6.762 -3.298 -2.500 1.00 0.00 C ATOM 1482 OG SER A 99 5.437 -3.091 -2.043 1.00 0.00 O ATOM 0 H SER A 99 9.505 -2.773 -2.478 1.00 0.00 H new ATOM 0 HA SER A 99 7.043 -1.255 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.742 -3.707 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.257 -4.035 -1.868 1.00 0.00 H new ATOM 0 HG SER A 99 4.806 -3.486 -2.680 1.00 0.00 H new ATOM 1488 N THR A 100 6.835 -0.452 -0.761 1.00 0.00 N ATOM 1489 CA THR A 100 6.827 0.154 0.565 1.00 0.00 C ATOM 1490 C THR A 100 6.542 -0.886 1.643 1.00 0.00 C ATOM 1491 O THR A 100 5.971 -1.945 1.382 1.00 0.00 O ATOM 1492 CB THR A 100 5.778 1.278 0.662 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.656 0.975 -0.174 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.378 2.614 0.251 1.00 0.00 C ATOM 0 H THR A 100 6.168 -0.043 -1.415 1.00 0.00 H new ATOM 0 HA THR A 100 7.819 0.577 0.725 1.00 0.00 H new ATOM 0 HB THR A 100 5.448 1.349 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.853 1.243 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.619 3.393 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.213 2.856 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.732 2.553 -0.778 1.00 0.00 H new ATOM 1502 N PRO A 101 6.948 -0.580 2.884 1.00 0.00 N ATOM 1503 CA PRO A 101 6.745 -1.475 4.027 1.00 0.00 C ATOM 1504 C PRO A 101 5.278 -1.581 4.427 1.00 0.00 C ATOM 1505 O PRO A 101 4.583 -0.572 4.549 1.00 0.00 O ATOM 1506 CB PRO A 101 7.558 -0.814 5.143 1.00 0.00 C ATOM 1507 CG PRO A 101 7.612 0.627 4.770 1.00 0.00 C ATOM 1508 CD PRO A 101 7.635 0.665 3.267 1.00 0.00 C ATOM 0 HA PRO A 101 7.053 -2.497 3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.084 -0.954 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.558 -1.243 5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.748 1.164 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.499 1.105 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.120 1.544 2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.654 0.697 2.881 1.00 0.00 H new ATOM 1516 N ASP A 102 4.813 -2.809 4.631 1.00 0.00 N ATOM 1517 CA ASP A 102 3.427 -3.046 5.020 1.00 0.00 C ATOM 1518 C ASP A 102 2.950 -1.986 6.007 1.00 0.00 C ATOM 1519 O ASP A 102 3.645 -1.663 6.971 1.00 0.00 O ATOM 1520 CB ASP A 102 3.280 -4.438 5.636 1.00 0.00 C ATOM 1521 CG ASP A 102 3.607 -5.545 4.653 1.00 0.00 C ATOM 1522 OD1 ASP A 102 4.726 -5.535 4.099 1.00 0.00 O ATOM 1523 OD2 ASP A 102 2.743 -6.421 4.438 1.00 0.00 O ATOM 0 H ASP A 102 5.375 -3.655 4.534 1.00 0.00 H new ATOM 0 HA ASP A 102 2.809 -2.986 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.937 -4.520 6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.259 -4.566 5.997 1.00 0.00 H new ATOM 1528 N VAL A 103 1.761 -1.446 5.759 1.00 0.00 N ATOM 1529 CA VAL A 103 1.190 -0.422 6.626 1.00 0.00 C ATOM 1530 C VAL A 103 -0.126 -0.890 7.237 1.00 0.00 C ATOM 1531 O VAL A 103 -1.203 -0.570 6.735 1.00 0.00 O ATOM 1532 CB VAL A 103 0.950 0.892 5.859 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.397 1.960 6.791 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.235 1.364 5.196 1.00 0.00 C ATOM 0 H VAL A 103 1.174 -1.701 4.964 1.00 0.00 H new ATOM 0 HA VAL A 103 1.912 -0.242 7.422 1.00 0.00 H new ATOM 0 HB VAL A 103 0.212 0.708 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.234 2.881 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.548 1.620 7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.109 2.145 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.047 2.293 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.997 1.533 5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.584 0.604 4.496 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.031 -1.648 8.324 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.214 -2.158 9.006 1.00 0.00 C ATOM 1546 C ALA A 104 -1.859 -1.078 9.868 1.00 0.00 C ATOM 1547 O ALA A 104 -1.208 -0.482 10.726 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.854 -3.368 9.855 1.00 0.00 C ATOM 0 H ALA A 104 0.853 -1.923 8.752 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.937 -2.462 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.747 -3.738 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.446 -4.152 9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.110 -3.082 10.599 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.144 -0.829 9.633 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.877 0.180 10.388 1.00 0.00 C ATOM 1556 C VAL A 105 -5.234 -0.350 10.840 1.00 0.00 C ATOM 1557 O VAL A 105 -5.882 -1.116 10.125 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.089 1.459 9.557 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.118 1.221 8.463 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.511 2.613 10.455 1.00 0.00 C ATOM 0 H VAL A 105 -3.698 -1.312 8.926 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.274 0.420 11.263 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.144 1.724 9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.254 2.136 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.771 0.425 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.067 0.931 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.657 3.509 9.852 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.444 2.360 10.959 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.735 2.798 11.198 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.658 0.062 12.030 1.00 0.00 N ATOM 1571 CA ARG A 106 -6.937 -0.372 12.578 1.00 0.00 C ATOM 1572 C ARG A 106 -8.042 0.622 12.232 1.00 0.00 C ATOM 1573 O ARG A 106 -7.890 1.829 12.424 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.838 -0.533 14.096 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.840 -1.521 14.670 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.717 -1.624 16.182 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.463 -2.255 16.587 1.00 0.00 N ATOM 1578 CZ ARG A 106 -5.320 -1.595 16.728 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -5.271 -0.290 16.498 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -4.221 -2.240 17.100 1.00 0.00 N ATOM 0 H ARG A 106 -5.134 0.696 12.633 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.186 -1.335 12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.830 -0.859 14.353 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.988 0.439 14.567 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.851 -1.210 14.406 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.682 -2.503 14.223 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.779 -0.628 16.620 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.556 -2.198 16.576 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.466 -3.258 16.772 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.113 0.209 16.212 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.391 0.214 16.607 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.254 -3.244 17.278 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.343 -1.732 17.208 1.00 0.00 H new ATOM 1594 N THR A 107 -9.155 0.107 11.719 1.00 0.00 N ATOM 1595 CA THR A 107 -10.285 0.948 11.344 1.00 0.00 C ATOM 1596 C THR A 107 -11.050 1.421 12.575 1.00 0.00 C ATOM 1597 O THR A 107 -10.762 1.002 13.697 1.00 0.00 O ATOM 1598 CB THR A 107 -11.253 0.203 10.406 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.506 -1.114 10.908 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.683 0.114 8.999 1.00 0.00 C ATOM 0 H THR A 107 -9.298 -0.889 11.554 1.00 0.00 H new ATOM 0 HA THR A 107 -9.876 1.812 10.820 1.00 0.00 H new ATOM 0 HB THR A 107 -12.188 0.762 10.367 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.241 -1.521 10.403 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.385 -0.416 8.355 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.520 1.118 8.608 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.735 -0.424 9.024 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.027 2.295 12.359 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.835 2.825 13.451 1.00 0.00 C ATOM 1610 C LEU A 108 -13.895 1.817 13.883 1.00 0.00 C ATOM 1611 O LEU A 108 -14.360 1.008 13.080 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.503 4.135 13.029 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.573 5.212 12.469 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.378 6.381 11.924 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.599 5.685 13.538 1.00 0.00 C ATOM 0 H LEU A 108 -12.279 2.652 11.437 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.176 3.017 14.298 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.259 3.909 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.026 4.547 13.892 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.999 4.779 11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.700 7.138 11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.034 6.031 11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.979 6.814 12.724 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.945 6.451 13.121 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.155 6.100 14.379 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.998 4.843 13.881 1.00 0.00 H new ATOM 1627 N SER A 109 -14.275 1.872 15.156 1.00 0.00 N ATOM 1628 CA SER A 109 -15.279 0.963 15.695 1.00 0.00 C ATOM 1629 C SER A 109 -16.650 1.631 15.735 1.00 0.00 C ATOM 1630 O SER A 109 -16.840 2.644 16.408 1.00 0.00 O ATOM 1631 CB SER A 109 -14.881 0.504 17.099 1.00 0.00 C ATOM 1632 OG SER A 109 -16.025 0.220 17.886 1.00 0.00 O ATOM 0 H SER A 109 -13.902 2.537 15.833 1.00 0.00 H new ATOM 0 HA SER A 109 -15.336 0.094 15.040 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.253 -0.384 17.030 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.286 1.278 17.583 1.00 0.00 H new ATOM 0 HG SER A 109 -15.744 -0.073 18.778 1.00 0.00 H new