USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.768 K(o=0.77,f=-0.47) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= -0.011 (180deg=-0.254) USER MOD Single : A 47 SER OG : rot -57:sc= -11.5! USER MOD Single : A 52 SER OG : rot 24:sc= 0.723 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.553 USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= -0.0128 (180deg=-0.591) USER MOD Single : A 69 ASN : amide:sc= -4.94 K(o=-4.9,f=-5.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.71 K(o=0.71,f=-3.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.154 USER MOD Single : A 84 SER OG : rot 93:sc= 0.889 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -122:sc= -4.35! USER MOD Single : A 88 THR OG1 : rot -72:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 79.460 7.815 5.724 1.00 0.00 N ATOM 229 CA ALA A 15 78.365 7.677 4.728 1.00 0.00 C ATOM 230 C ALA A 15 78.939 7.645 3.309 1.00 0.00 C ATOM 231 O ALA A 15 78.250 7.330 2.358 1.00 0.00 O ATOM 232 CB ALA A 15 77.491 8.916 4.926 1.00 0.00 C ATOM 0 HA ALA A 15 77.800 6.754 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.657 8.889 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.107 8.931 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.085 9.812 4.749 1.00 0.00 H new ATOM 238 N ALA A 16 80.192 7.975 3.156 1.00 0.00 N ATOM 239 CA ALA A 16 80.803 7.967 1.796 1.00 0.00 C ATOM 240 C ALA A 16 81.053 6.531 1.333 1.00 0.00 C ATOM 241 O ALA A 16 80.828 6.189 0.190 1.00 0.00 O ATOM 242 CB ALA A 16 82.125 8.720 1.948 1.00 0.00 C ATOM 0 H ALA A 16 80.819 8.250 3.912 1.00 0.00 H new ATOM 0 HA ALA A 16 80.154 8.430 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.636 8.757 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.928 9.735 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.755 8.206 2.674 1.00 0.00 H new ATOM 248 N ARG A 17 81.510 5.690 2.214 1.00 0.00 N ATOM 249 CA ARG A 17 81.772 4.274 1.827 1.00 0.00 C ATOM 250 C ARG A 17 80.500 3.440 2.002 1.00 0.00 C ATOM 251 O ARG A 17 80.552 2.234 2.139 1.00 0.00 O ATOM 252 CB ARG A 17 82.862 3.796 2.784 1.00 0.00 C ATOM 253 CG ARG A 17 82.289 3.690 4.199 1.00 0.00 C ATOM 254 CD ARG A 17 83.014 4.673 5.118 1.00 0.00 C ATOM 255 NE ARG A 17 84.400 4.140 5.234 1.00 0.00 N ATOM 256 CZ ARG A 17 85.240 4.684 6.070 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.752 5.857 5.811 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.570 4.056 7.166 1.00 0.00 N ATOM 0 H ARG A 17 81.714 5.919 3.187 1.00 0.00 H new ATOM 0 HA ARG A 17 82.077 4.178 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.244 2.828 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.702 4.491 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.221 3.907 4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.404 2.673 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.012 5.680 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.531 4.732 6.093 1.00 0.00 H new ATOM 0 HE ARG A 17 84.692 3.349 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 17 85.495 6.348 4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 17 86.409 6.282 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.171 3.140 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 17 86.227 4.482 7.820 1.00 0.00 H new ATOM 272 N THR A 18 79.359 4.074 2.004 1.00 0.00 N ATOM 273 CA THR A 18 78.088 3.315 2.175 1.00 0.00 C ATOM 274 C THR A 18 77.191 3.487 0.946 1.00 0.00 C ATOM 275 O THR A 18 77.300 4.449 0.214 1.00 0.00 O ATOM 276 CB THR A 18 77.426 3.926 3.412 1.00 0.00 C ATOM 277 OG1 THR A 18 78.349 3.923 4.491 1.00 0.00 O ATOM 278 CG2 THR A 18 76.192 3.105 3.790 1.00 0.00 C ATOM 0 H THR A 18 79.252 5.083 1.895 1.00 0.00 H new ATOM 0 HA THR A 18 78.261 2.245 2.289 1.00 0.00 H new ATOM 0 HB THR A 18 77.125 4.951 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.927 4.316 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.721 3.541 4.671 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.484 3.109 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.490 2.079 4.008 1.00 0.00 H new ATOM 286 N LEU A 19 76.300 2.560 0.721 1.00 0.00 N ATOM 287 CA LEU A 19 75.387 2.662 -0.453 1.00 0.00 C ATOM 288 C LEU A 19 74.033 2.035 -0.120 1.00 0.00 C ATOM 289 O LEU A 19 73.916 1.229 0.781 1.00 0.00 O ATOM 290 CB LEU A 19 76.074 1.887 -1.581 1.00 0.00 C ATOM 291 CG LEU A 19 76.545 0.523 -1.073 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.539 -0.551 -1.495 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.913 0.202 -1.677 1.00 0.00 C ATOM 0 H LEU A 19 76.165 1.733 1.302 1.00 0.00 H new ATOM 0 HA LEU A 19 75.202 3.698 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.384 1.755 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.924 2.456 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 19 76.622 0.545 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.873 -1.524 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.562 -0.322 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.465 -0.573 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.251 -0.770 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.834 0.179 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.630 0.968 -1.382 1.00 0.00 H new ATOM 305 N LEU A 20 73.010 2.401 -0.838 1.00 0.00 N ATOM 306 CA LEU A 20 71.661 1.827 -0.561 1.00 0.00 C ATOM 307 C LEU A 20 71.301 0.782 -1.621 1.00 0.00 C ATOM 308 O LEU A 20 71.258 1.071 -2.801 1.00 0.00 O ATOM 309 CB LEU A 20 70.705 3.018 -0.633 1.00 0.00 C ATOM 310 CG LEU A 20 69.405 2.677 0.096 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.678 1.559 -0.652 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.726 2.213 1.519 1.00 0.00 C ATOM 0 H LEU A 20 73.047 3.072 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 20 71.615 1.324 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.167 3.896 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.496 3.267 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 20 68.768 3.561 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.751 1.316 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.450 1.888 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.314 0.675 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.800 1.970 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 20 70.363 1.329 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 20 70.244 3.009 2.053 1.00 0.00 H new ATOM 324 N ALA A 21 71.036 -0.430 -1.210 1.00 0.00 N ATOM 325 CA ALA A 21 70.673 -1.487 -2.196 1.00 0.00 C ATOM 326 C ALA A 21 69.168 -1.447 -2.466 1.00 0.00 C ATOM 327 O ALA A 21 68.378 -1.175 -1.584 1.00 0.00 O ATOM 328 CB ALA A 21 71.066 -2.804 -1.527 1.00 0.00 C ATOM 0 H ALA A 21 71.055 -0.732 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 21 71.175 -1.356 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.830 -3.635 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.136 -2.800 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.513 -2.917 -0.594 1.00 0.00 H new ATOM 334 N LYS A 22 68.763 -1.710 -3.679 1.00 0.00 N ATOM 335 CA LYS A 22 67.307 -1.678 -3.993 1.00 0.00 C ATOM 336 C LYS A 22 66.979 -2.678 -5.104 1.00 0.00 C ATOM 337 O LYS A 22 67.844 -3.353 -5.623 1.00 0.00 O ATOM 338 CB LYS A 22 67.038 -0.249 -4.467 1.00 0.00 C ATOM 339 CG LYS A 22 66.179 0.479 -3.431 1.00 0.00 C ATOM 340 CD LYS A 22 65.465 1.657 -4.098 1.00 0.00 C ATOM 341 CE LYS A 22 66.090 2.970 -3.623 1.00 0.00 C ATOM 342 NZ LYS A 22 64.971 3.722 -2.991 1.00 0.00 N ATOM 0 H LYS A 22 69.374 -1.944 -4.462 1.00 0.00 H new ATOM 0 HA LYS A 22 66.695 -1.948 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.980 0.281 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.529 -0.264 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.449 -0.207 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 22 66.803 0.835 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.543 1.576 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.403 1.638 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 22 66.896 2.789 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 22 66.519 3.527 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 65.322 4.636 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.222 3.885 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.587 3.171 -2.197 1.00 0.00 H new ATOM 356 N ASN A 23 65.732 -2.772 -5.470 1.00 0.00 N ATOM 357 CA ASN A 23 65.337 -3.724 -6.549 1.00 0.00 C ATOM 358 C ASN A 23 65.533 -5.169 -6.084 1.00 0.00 C ATOM 359 O ASN A 23 65.489 -6.094 -6.870 1.00 0.00 O ATOM 360 CB ASN A 23 66.268 -3.406 -7.721 1.00 0.00 C ATOM 361 CG ASN A 23 65.630 -3.885 -9.025 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.863 -3.170 -9.639 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.915 -5.076 -9.478 1.00 0.00 N ATOM 0 H ASN A 23 64.966 -2.230 -5.069 1.00 0.00 H new ATOM 0 HA ASN A 23 64.287 -3.621 -6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.456 -2.333 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.232 -3.893 -7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.494 -5.405 -10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.559 -5.677 -8.963 1.00 0.00 H new ATOM 370 N LEU A 24 65.743 -5.371 -4.814 1.00 0.00 N ATOM 371 CA LEU A 24 65.935 -6.759 -4.305 1.00 0.00 C ATOM 372 C LEU A 24 64.608 -7.520 -4.362 1.00 0.00 C ATOM 373 O LEU A 24 63.734 -7.203 -5.144 1.00 0.00 O ATOM 374 CB LEU A 24 66.395 -6.595 -2.855 1.00 0.00 C ATOM 375 CG LEU A 24 67.742 -5.872 -2.823 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.812 -4.977 -1.584 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.870 -6.904 -2.769 1.00 0.00 C ATOM 0 H LEU A 24 65.790 -4.638 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 24 66.657 -7.321 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.654 -6.030 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.483 -7.571 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 24 67.848 -5.260 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.772 -4.462 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.007 -4.243 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.707 -5.588 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.832 -6.391 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.763 -7.514 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.821 -7.543 -3.650 1.00 0.00 H new ATOM 389 N SER A 25 64.448 -8.519 -3.540 1.00 0.00 N ATOM 390 CA SER A 25 63.175 -9.291 -3.548 1.00 0.00 C ATOM 391 C SER A 25 62.300 -8.866 -2.368 1.00 0.00 C ATOM 392 O SER A 25 62.633 -7.959 -1.631 1.00 0.00 O ATOM 393 CB SER A 25 63.596 -10.754 -3.407 1.00 0.00 C ATOM 394 OG SER A 25 62.682 -11.577 -4.119 1.00 0.00 O ATOM 0 H SER A 25 65.143 -8.834 -2.863 1.00 0.00 H new ATOM 0 HA SER A 25 62.593 -9.124 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.605 -10.893 -3.794 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.616 -11.039 -2.355 1.00 0.00 H new ATOM 0 HG SER A 25 62.950 -12.515 -4.032 1.00 0.00 H new ATOM 400 N PHE A 26 61.183 -9.511 -2.181 1.00 0.00 N ATOM 401 CA PHE A 26 60.292 -9.144 -1.053 1.00 0.00 C ATOM 402 C PHE A 26 60.687 -9.925 0.202 1.00 0.00 C ATOM 403 O PHE A 26 60.173 -9.695 1.278 1.00 0.00 O ATOM 404 CB PHE A 26 58.905 -9.556 -1.529 1.00 0.00 C ATOM 405 CG PHE A 26 58.254 -8.398 -2.247 1.00 0.00 C ATOM 406 CD1 PHE A 26 59.041 -7.507 -2.987 1.00 0.00 C ATOM 407 CD2 PHE A 26 56.866 -8.217 -2.183 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.444 -6.439 -3.664 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.269 -7.146 -2.858 1.00 0.00 C ATOM 410 CZ PHE A 26 57.057 -6.258 -3.599 1.00 0.00 C ATOM 0 H PHE A 26 60.850 -10.279 -2.764 1.00 0.00 H new ATOM 0 HA PHE A 26 60.345 -8.087 -0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 26 58.978 -10.416 -2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.293 -9.861 -0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 26 60.111 -7.645 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 26 56.257 -8.903 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 26 59.052 -5.754 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 26 55.199 -7.005 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.595 -5.433 -4.121 1.00 0.00 H new ATOM 420 N ASN A 27 61.595 -10.852 0.068 1.00 0.00 N ATOM 421 CA ASN A 27 62.024 -11.654 1.244 1.00 0.00 C ATOM 422 C ASN A 27 63.535 -11.517 1.470 1.00 0.00 C ATOM 423 O ASN A 27 64.048 -11.890 2.505 1.00 0.00 O ATOM 424 CB ASN A 27 61.663 -13.097 0.891 1.00 0.00 C ATOM 425 CG ASN A 27 61.086 -13.794 2.124 1.00 0.00 C ATOM 426 OD1 ASN A 27 59.936 -13.595 2.467 1.00 0.00 O ATOM 427 ND2 ASN A 27 61.838 -14.610 2.811 1.00 0.00 N ATOM 0 H ASN A 27 62.059 -11.088 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 27 61.540 -11.323 2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 27 60.937 -13.113 0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 27 62.547 -13.629 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 27 61.461 -15.080 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 27 62.802 -14.778 2.525 1.00 0.00 H new ATOM 434 N ILE A 28 64.251 -10.985 0.515 1.00 0.00 N ATOM 435 CA ILE A 28 65.726 -10.833 0.691 1.00 0.00 C ATOM 436 C ILE A 28 66.036 -10.296 2.091 1.00 0.00 C ATOM 437 O ILE A 28 65.232 -9.614 2.695 1.00 0.00 O ATOM 438 CB ILE A 28 66.157 -9.829 -0.378 1.00 0.00 C ATOM 439 CG1 ILE A 28 67.650 -9.526 -0.227 1.00 0.00 C ATOM 440 CG2 ILE A 28 65.359 -8.535 -0.220 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.410 -10.086 -1.431 1.00 0.00 C ATOM 0 H ILE A 28 63.881 -10.651 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 28 66.253 -11.782 0.589 1.00 0.00 H new ATOM 0 HB ILE A 28 65.970 -10.253 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 28 67.808 -8.450 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.030 -9.968 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 28 65.668 -7.821 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.296 -8.747 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 28 65.543 -8.112 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.473 -9.870 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.263 -11.165 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.037 -9.623 -2.344 1.00 0.00 H new ATOM 453 N THR A 29 67.193 -10.601 2.615 1.00 0.00 N ATOM 454 CA THR A 29 67.541 -10.109 3.980 1.00 0.00 C ATOM 455 C THR A 29 69.035 -9.782 4.073 1.00 0.00 C ATOM 456 O THR A 29 69.794 -9.988 3.142 1.00 0.00 O ATOM 457 CB THR A 29 67.194 -11.266 4.918 1.00 0.00 C ATOM 458 OG1 THR A 29 67.718 -12.475 4.388 1.00 0.00 O ATOM 459 CG2 THR A 29 65.674 -11.382 5.052 1.00 0.00 C ATOM 0 H THR A 29 67.909 -11.167 2.160 1.00 0.00 H new ATOM 0 HA THR A 29 67.002 -9.196 4.232 1.00 0.00 H new ATOM 0 HB THR A 29 67.628 -11.080 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.498 -13.218 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.430 -12.207 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.273 -10.454 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.235 -11.568 4.072 1.00 0.00 H new ATOM 467 N GLU A 30 69.465 -9.277 5.199 1.00 0.00 N ATOM 468 CA GLU A 30 70.908 -8.944 5.361 1.00 0.00 C ATOM 469 C GLU A 30 71.758 -10.155 4.982 1.00 0.00 C ATOM 470 O GLU A 30 72.875 -10.022 4.523 1.00 0.00 O ATOM 471 CB GLU A 30 71.078 -8.606 6.843 1.00 0.00 C ATOM 472 CG GLU A 30 71.747 -7.238 6.981 1.00 0.00 C ATOM 473 CD GLU A 30 71.885 -6.882 8.462 1.00 0.00 C ATOM 474 OE1 GLU A 30 70.912 -7.038 9.181 1.00 0.00 O ATOM 475 OE2 GLU A 30 72.961 -6.462 8.853 1.00 0.00 O ATOM 0 H GLU A 30 68.880 -9.082 6.011 1.00 0.00 H new ATOM 0 HA GLU A 30 71.221 -8.117 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.107 -8.600 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.682 -9.369 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.728 -7.252 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.156 -6.479 6.468 1.00 0.00 H new ATOM 482 N ASP A 31 71.234 -11.335 5.159 1.00 0.00 N ATOM 483 CA ASP A 31 72.009 -12.553 4.793 1.00 0.00 C ATOM 484 C ASP A 31 72.373 -12.490 3.312 1.00 0.00 C ATOM 485 O ASP A 31 73.527 -12.555 2.939 1.00 0.00 O ATOM 486 CB ASP A 31 71.067 -13.726 5.070 1.00 0.00 C ATOM 487 CG ASP A 31 71.810 -14.800 5.866 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.718 -15.397 5.313 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.458 -15.006 7.016 1.00 0.00 O ATOM 0 H ASP A 31 70.304 -11.509 5.541 1.00 0.00 H new ATOM 0 HA ASP A 31 72.938 -12.648 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.196 -13.383 5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.701 -14.142 4.131 1.00 0.00 H new ATOM 494 N GLU A 32 71.392 -12.347 2.468 1.00 0.00 N ATOM 495 CA GLU A 32 71.672 -12.258 1.009 1.00 0.00 C ATOM 496 C GLU A 32 72.458 -10.981 0.721 1.00 0.00 C ATOM 497 O GLU A 32 73.342 -10.950 -0.118 1.00 0.00 O ATOM 498 CB GLU A 32 70.299 -12.212 0.339 1.00 0.00 C ATOM 499 CG GLU A 32 69.665 -13.605 0.377 1.00 0.00 C ATOM 500 CD GLU A 32 68.181 -13.502 0.022 1.00 0.00 C ATOM 501 OE1 GLU A 32 67.878 -13.431 -1.158 1.00 0.00 O ATOM 502 OE2 GLU A 32 67.373 -13.495 0.935 1.00 0.00 O ATOM 0 H GLU A 32 70.407 -12.288 2.725 1.00 0.00 H new ATOM 0 HA GLU A 32 72.266 -13.095 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 32 69.657 -11.495 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.397 -11.874 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.172 -14.266 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 32 69.783 -14.043 1.368 1.00 0.00 H new ATOM 509 N LEU A 33 72.160 -9.932 1.436 1.00 0.00 N ATOM 510 CA LEU A 33 72.899 -8.662 1.230 1.00 0.00 C ATOM 511 C LEU A 33 74.324 -8.859 1.726 1.00 0.00 C ATOM 512 O LEU A 33 75.268 -8.321 1.183 1.00 0.00 O ATOM 513 CB LEU A 33 72.165 -7.624 2.080 1.00 0.00 C ATOM 514 CG LEU A 33 70.756 -7.415 1.525 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.848 -6.869 2.629 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.807 -6.414 0.368 1.00 0.00 C ATOM 0 H LEU A 33 71.436 -9.902 2.154 1.00 0.00 H new ATOM 0 HA LEU A 33 72.941 -8.349 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.113 -7.958 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.713 -6.682 2.076 1.00 0.00 H new ATOM 0 HG LEU A 33 70.362 -8.366 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.843 -6.720 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.811 -7.580 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.242 -5.918 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.803 -6.264 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.201 -5.463 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.454 -6.801 -0.419 1.00 0.00 H new ATOM 528 N LYS A 34 74.480 -9.650 2.750 1.00 0.00 N ATOM 529 CA LYS A 34 75.837 -9.910 3.280 1.00 0.00 C ATOM 530 C LYS A 34 76.511 -10.974 2.423 1.00 0.00 C ATOM 531 O LYS A 34 77.720 -11.096 2.387 1.00 0.00 O ATOM 532 CB LYS A 34 75.628 -10.408 4.711 1.00 0.00 C ATOM 533 CG LYS A 34 76.940 -10.290 5.489 1.00 0.00 C ATOM 534 CD LYS A 34 77.538 -11.684 5.696 1.00 0.00 C ATOM 535 CE LYS A 34 78.600 -11.625 6.796 1.00 0.00 C ATOM 536 NZ LYS A 34 77.834 -11.640 8.073 1.00 0.00 N ATOM 0 H LYS A 34 73.723 -10.126 3.240 1.00 0.00 H new ATOM 0 HA LYS A 34 76.474 -9.026 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.849 -9.824 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.291 -11.444 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.642 -9.659 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 34 76.762 -9.812 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.754 -12.391 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.981 -12.043 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.280 -12.475 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 34 79.207 -10.724 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.198 -10.899 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 76.828 -11.464 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 77.940 -12.568 8.531 1.00 0.00 H new ATOM 550 N GLU A 35 75.725 -11.735 1.720 1.00 0.00 N ATOM 551 CA GLU A 35 76.288 -12.790 0.842 1.00 0.00 C ATOM 552 C GLU A 35 76.771 -12.159 -0.462 1.00 0.00 C ATOM 553 O GLU A 35 77.773 -12.554 -1.024 1.00 0.00 O ATOM 554 CB GLU A 35 75.130 -13.754 0.580 1.00 0.00 C ATOM 555 CG GLU A 35 75.654 -15.193 0.582 1.00 0.00 C ATOM 556 CD GLU A 35 76.813 -15.316 -0.409 1.00 0.00 C ATOM 557 OE1 GLU A 35 76.545 -15.476 -1.587 1.00 0.00 O ATOM 558 OE2 GLU A 35 77.950 -15.248 0.030 1.00 0.00 O ATOM 0 H GLU A 35 74.707 -11.670 1.717 1.00 0.00 H new ATOM 0 HA GLU A 35 77.139 -13.302 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 35 74.363 -13.634 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.663 -13.527 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.987 -15.469 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.855 -15.883 0.310 1.00 0.00 H new ATOM 565 N VAL A 36 76.070 -11.167 -0.940 1.00 0.00 N ATOM 566 CA VAL A 36 76.491 -10.496 -2.198 1.00 0.00 C ATOM 567 C VAL A 36 77.495 -9.392 -1.871 1.00 0.00 C ATOM 568 O VAL A 36 78.472 -9.198 -2.566 1.00 0.00 O ATOM 569 CB VAL A 36 75.211 -9.900 -2.781 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.559 -9.001 -3.968 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.293 -11.030 -3.250 1.00 0.00 C ATOM 0 H VAL A 36 75.223 -10.793 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 36 76.970 -11.179 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 36 74.704 -9.311 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.645 -8.576 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.214 -8.196 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.066 -9.589 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.379 -10.607 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 36 74.801 -11.618 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.044 -11.671 -2.404 1.00 0.00 H new ATOM 581 N PHE A 37 77.256 -8.667 -0.814 1.00 0.00 N ATOM 582 CA PHE A 37 78.183 -7.578 -0.432 1.00 0.00 C ATOM 583 C PHE A 37 79.205 -8.084 0.590 1.00 0.00 C ATOM 584 O PHE A 37 79.471 -7.443 1.587 1.00 0.00 O ATOM 585 CB PHE A 37 77.276 -6.522 0.188 1.00 0.00 C ATOM 586 CG PHE A 37 76.189 -6.149 -0.794 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.431 -6.234 -2.170 1.00 0.00 C ATOM 588 CD2 PHE A 37 74.941 -5.722 -0.327 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.424 -5.891 -3.080 1.00 0.00 C ATOM 590 CE2 PHE A 37 73.934 -5.378 -1.237 1.00 0.00 C ATOM 591 CZ PHE A 37 74.175 -5.464 -2.613 1.00 0.00 C ATOM 0 H PHE A 37 76.452 -8.787 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 37 78.756 -7.192 -1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 37 76.834 -6.903 1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 37 77.858 -5.640 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.394 -6.564 -2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 37 74.755 -5.658 0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 37 75.610 -5.956 -4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 37 72.971 -5.046 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.397 -5.201 -3.315 1.00 0.00 H new ATOM 601 N GLU A 38 79.776 -9.234 0.352 1.00 0.00 N ATOM 602 CA GLU A 38 80.777 -9.785 1.313 1.00 0.00 C ATOM 603 C GLU A 38 81.957 -8.820 1.469 1.00 0.00 C ATOM 604 O GLU A 38 82.760 -8.950 2.371 1.00 0.00 O ATOM 605 CB GLU A 38 81.240 -11.102 0.688 1.00 0.00 C ATOM 606 CG GLU A 38 81.351 -12.171 1.777 1.00 0.00 C ATOM 607 CD GLU A 38 80.417 -13.336 1.445 1.00 0.00 C ATOM 608 OE1 GLU A 38 80.747 -14.095 0.548 1.00 0.00 O ATOM 609 OE2 GLU A 38 79.391 -13.451 2.093 1.00 0.00 O ATOM 0 H GLU A 38 79.593 -9.816 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 38 80.356 -9.929 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.534 -11.421 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.204 -10.965 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.379 -12.525 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.090 -11.746 2.746 1.00 0.00 H new ATOM 616 N ASP A 39 82.070 -7.855 0.599 1.00 0.00 N ATOM 617 CA ASP A 39 83.199 -6.887 0.703 1.00 0.00 C ATOM 618 C ASP A 39 82.772 -5.663 1.515 1.00 0.00 C ATOM 619 O ASP A 39 83.415 -4.632 1.486 1.00 0.00 O ATOM 620 CB ASP A 39 83.516 -6.490 -0.739 1.00 0.00 C ATOM 621 CG ASP A 39 85.022 -6.613 -0.983 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.657 -7.376 -0.274 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.514 -5.941 -1.874 1.00 0.00 O ATOM 0 H ASP A 39 81.430 -7.694 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 39 84.065 -7.316 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 39 82.971 -7.131 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.189 -5.467 -0.926 1.00 0.00 H new ATOM 628 N ALA A 40 81.693 -5.767 2.240 1.00 0.00 N ATOM 629 CA ALA A 40 81.231 -4.606 3.052 1.00 0.00 C ATOM 630 C ALA A 40 81.337 -4.927 4.545 1.00 0.00 C ATOM 631 O ALA A 40 81.464 -6.070 4.937 1.00 0.00 O ATOM 632 CB ALA A 40 79.771 -4.396 2.648 1.00 0.00 C ATOM 0 H ALA A 40 81.112 -6.603 2.306 1.00 0.00 H new ATOM 0 HA ALA A 40 81.833 -3.714 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.357 -3.555 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.716 -4.187 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.199 -5.296 2.872 1.00 0.00 H new ATOM 638 N LEU A 41 81.284 -3.926 5.382 1.00 0.00 N ATOM 639 CA LEU A 41 81.379 -4.176 6.847 1.00 0.00 C ATOM 640 C LEU A 41 80.023 -4.628 7.379 1.00 0.00 C ATOM 641 O LEU A 41 79.916 -5.582 8.123 1.00 0.00 O ATOM 642 CB LEU A 41 81.765 -2.840 7.500 1.00 0.00 C ATOM 643 CG LEU A 41 82.620 -1.994 6.555 1.00 0.00 C ATOM 644 CD1 LEU A 41 83.308 -0.885 7.352 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.677 -2.878 5.889 1.00 0.00 C ATOM 0 H LEU A 41 81.179 -2.947 5.114 1.00 0.00 H new ATOM 0 HA LEU A 41 82.113 -4.951 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.864 -2.290 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.314 -3.028 8.423 1.00 0.00 H new ATOM 0 HG LEU A 41 81.985 -1.552 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.918 -0.280 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 41 82.554 -0.255 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.943 -1.328 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.285 -2.274 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.314 -3.322 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.185 -3.669 5.322 1.00 0.00 H new ATOM 657 N GLU A 42 78.984 -3.936 7.004 1.00 0.00 N ATOM 658 CA GLU A 42 77.626 -4.308 7.488 1.00 0.00 C ATOM 659 C GLU A 42 76.568 -3.909 6.461 1.00 0.00 C ATOM 660 O GLU A 42 76.830 -3.168 5.531 1.00 0.00 O ATOM 661 CB GLU A 42 77.442 -3.521 8.785 1.00 0.00 C ATOM 662 CG GLU A 42 78.121 -4.266 9.936 1.00 0.00 C ATOM 663 CD GLU A 42 77.263 -4.150 11.197 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.321 -3.374 11.179 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.563 -4.836 12.159 1.00 0.00 O ATOM 0 H GLU A 42 79.017 -3.128 6.382 1.00 0.00 H new ATOM 0 HA GLU A 42 77.522 -5.382 7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.869 -2.524 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.381 -3.392 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.259 -5.315 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 42 79.112 -3.850 10.118 1.00 0.00 H new ATOM 672 N ILE A 43 75.371 -4.397 6.623 1.00 0.00 N ATOM 673 CA ILE A 43 74.294 -4.050 5.658 1.00 0.00 C ATOM 674 C ILE A 43 72.967 -3.843 6.385 1.00 0.00 C ATOM 675 O ILE A 43 72.618 -4.570 7.294 1.00 0.00 O ATOM 676 CB ILE A 43 74.196 -5.249 4.723 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.545 -5.468 4.032 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.117 -4.990 3.670 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.497 -6.761 3.218 1.00 0.00 C ATOM 0 H ILE A 43 75.093 -5.020 7.381 1.00 0.00 H new ATOM 0 HA ILE A 43 74.512 -3.125 5.124 1.00 0.00 H new ATOM 0 HB ILE A 43 73.934 -6.137 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.773 -4.624 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.341 -5.522 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.048 -5.848 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.157 -4.835 4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.376 -4.102 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.457 -6.917 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.288 -7.601 3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.711 -6.688 2.466 1.00 0.00 H new ATOM 691 N ARG A 44 72.223 -2.863 5.973 1.00 0.00 N ATOM 692 CA ARG A 44 70.907 -2.595 6.607 1.00 0.00 C ATOM 693 C ARG A 44 69.793 -3.004 5.641 1.00 0.00 C ATOM 694 O ARG A 44 70.009 -3.119 4.451 1.00 0.00 O ATOM 695 CB ARG A 44 70.897 -1.088 6.856 1.00 0.00 C ATOM 696 CG ARG A 44 71.043 -0.820 8.354 1.00 0.00 C ATOM 697 CD ARG A 44 69.828 -0.035 8.854 1.00 0.00 C ATOM 698 NE ARG A 44 70.395 1.186 9.491 1.00 0.00 N ATOM 699 CZ ARG A 44 69.773 1.750 10.489 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.563 2.213 10.328 1.00 0.00 N ATOM 701 NH2 ARG A 44 70.359 1.851 11.651 1.00 0.00 N ATOM 0 H ARG A 44 72.472 -2.228 5.215 1.00 0.00 H new ATOM 0 HA ARG A 44 70.751 -3.151 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.711 -0.613 6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.968 -0.653 6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.129 -1.762 8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.957 -0.258 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.159 0.222 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.247 -0.619 9.568 1.00 0.00 H new ATOM 0 HE ARG A 44 71.270 1.581 9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.103 2.134 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.077 2.654 11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 44 71.304 1.489 11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 44 69.872 2.292 12.431 1.00 0.00 H new ATOM 715 N LEU A 45 68.608 -3.232 6.134 1.00 0.00 N ATOM 716 CA LEU A 45 67.499 -3.647 5.232 1.00 0.00 C ATOM 717 C LEU A 45 66.418 -2.571 5.196 1.00 0.00 C ATOM 718 O LEU A 45 66.209 -1.853 6.153 1.00 0.00 O ATOM 719 CB LEU A 45 66.952 -4.936 5.844 1.00 0.00 C ATOM 720 CG LEU A 45 66.771 -5.989 4.749 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.944 -7.154 5.293 1.00 0.00 C ATOM 722 CD2 LEU A 45 66.043 -5.365 3.555 1.00 0.00 C ATOM 0 H LEU A 45 68.360 -3.149 7.120 1.00 0.00 H new ATOM 0 HA LEU A 45 67.835 -3.794 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.635 -5.306 6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.999 -4.741 6.336 1.00 0.00 H new ATOM 0 HG LEU A 45 67.748 -6.352 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.815 -7.904 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.459 -7.600 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.967 -6.790 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.914 -6.115 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.066 -5.002 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.630 -4.533 3.165 1.00 0.00 H new ATOM 734 N VAL A 46 65.729 -2.455 4.098 1.00 0.00 N ATOM 735 CA VAL A 46 64.664 -1.426 4.004 1.00 0.00 C ATOM 736 C VAL A 46 63.470 -1.947 3.210 1.00 0.00 C ATOM 737 O VAL A 46 63.615 -2.616 2.182 1.00 0.00 O ATOM 738 CB VAL A 46 65.307 -0.248 3.288 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.222 0.766 2.922 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.328 0.399 4.218 1.00 0.00 C ATOM 0 H VAL A 46 65.858 -3.028 3.264 1.00 0.00 H new ATOM 0 HA VAL A 46 64.285 -1.150 4.988 1.00 0.00 H new ATOM 0 HB VAL A 46 65.806 -0.586 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.675 1.614 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.489 0.294 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.728 1.113 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.795 1.245 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.828 0.746 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.092 -0.331 4.484 1.00 0.00 H new ATOM 750 N SER A 47 62.287 -1.628 3.691 1.00 0.00 N ATOM 751 CA SER A 47 61.027 -2.066 3.026 1.00 0.00 C ATOM 752 C SER A 47 60.696 -3.500 3.439 1.00 0.00 C ATOM 753 O SER A 47 61.223 -4.006 4.409 1.00 0.00 O ATOM 754 CB SER A 47 61.288 -1.949 1.539 1.00 0.00 C ATOM 755 OG SER A 47 62.164 -0.855 1.297 1.00 0.00 O ATOM 0 H SER A 47 62.147 -1.071 4.534 1.00 0.00 H new ATOM 0 HA SER A 47 60.168 -1.458 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 47 61.729 -2.872 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.349 -1.803 1.004 1.00 0.00 H new ATOM 0 HG SER A 47 61.772 -0.035 1.664 1.00 0.00 H new ATOM 819 N SER A 52 57.462 -4.233 0.742 1.00 0.00 N ATOM 820 CA SER A 52 58.569 -4.943 0.096 1.00 0.00 C ATOM 821 C SER A 52 59.105 -4.173 -1.103 1.00 0.00 C ATOM 822 O SER A 52 58.659 -4.341 -2.219 1.00 0.00 O ATOM 823 CB SER A 52 57.944 -6.251 -0.339 1.00 0.00 C ATOM 824 OG SER A 52 56.650 -6.390 0.237 1.00 0.00 O ATOM 0 HA SER A 52 59.424 -5.075 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 52 57.872 -6.285 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.577 -7.084 -0.035 1.00 0.00 H new ATOM 0 HG SER A 52 56.295 -5.505 0.462 1.00 0.00 H new ATOM 830 N LYS A 53 60.097 -3.366 -0.881 1.00 0.00 N ATOM 831 CA LYS A 53 60.711 -2.624 -2.007 1.00 0.00 C ATOM 832 C LYS A 53 62.136 -3.139 -2.162 1.00 0.00 C ATOM 833 O LYS A 53 62.976 -2.528 -2.793 1.00 0.00 O ATOM 834 CB LYS A 53 60.695 -1.148 -1.606 1.00 0.00 C ATOM 835 CG LYS A 53 59.295 -0.572 -1.831 1.00 0.00 C ATOM 836 CD LYS A 53 59.224 0.843 -1.251 1.00 0.00 C ATOM 837 CE LYS A 53 58.793 0.774 0.215 1.00 0.00 C ATOM 838 NZ LYS A 53 57.868 1.927 0.398 1.00 0.00 N ATOM 0 H LYS A 53 60.510 -3.188 0.034 1.00 0.00 H new ATOM 0 HA LYS A 53 60.186 -2.754 -2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 53 60.979 -1.042 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.427 -0.593 -2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.066 -0.551 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.548 -1.209 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 53 60.196 1.330 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 53 58.517 1.446 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.296 -0.170 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.651 0.846 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 57.529 1.947 1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 58.371 2.812 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 57.057 1.827 -0.246 1.00 0.00 H new ATOM 852 N GLY A 54 62.405 -4.274 -1.567 1.00 0.00 N ATOM 853 CA GLY A 54 63.761 -4.859 -1.645 1.00 0.00 C ATOM 854 C GLY A 54 64.793 -3.763 -1.417 1.00 0.00 C ATOM 855 O GLY A 54 65.715 -3.605 -2.191 1.00 0.00 O ATOM 0 H GLY A 54 61.732 -4.818 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.875 -5.644 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.915 -5.323 -2.619 1.00 0.00 H new ATOM 859 N ILE A 55 64.660 -2.990 -0.366 1.00 0.00 N ATOM 860 CA ILE A 55 65.664 -1.919 -0.143 1.00 0.00 C ATOM 861 C ILE A 55 66.586 -2.310 1.011 1.00 0.00 C ATOM 862 O ILE A 55 66.221 -3.096 1.858 1.00 0.00 O ATOM 863 CB ILE A 55 64.842 -0.678 0.191 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.695 -0.542 -0.813 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.737 0.560 0.108 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.012 0.814 -0.631 1.00 0.00 C ATOM 0 H ILE A 55 63.916 -3.055 0.329 1.00 0.00 H new ATOM 0 HA ILE A 55 66.306 -1.747 -1.007 1.00 0.00 H new ATOM 0 HB ILE A 55 64.436 -0.770 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.076 -0.635 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 55 62.974 -1.346 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.152 1.448 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.557 0.464 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.140 0.651 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.195 0.909 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.617 0.889 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.736 1.611 -0.798 1.00 0.00 H new ATOM 878 N ALA A 56 67.780 -1.787 1.044 1.00 0.00 N ATOM 879 CA ALA A 56 68.713 -2.149 2.147 1.00 0.00 C ATOM 880 C ALA A 56 69.929 -1.226 2.122 1.00 0.00 C ATOM 881 O ALA A 56 70.400 -0.839 1.074 1.00 0.00 O ATOM 882 CB ALA A 56 69.128 -3.592 1.857 1.00 0.00 C ATOM 0 H ALA A 56 68.149 -1.128 0.359 1.00 0.00 H new ATOM 0 HA ALA A 56 68.254 -2.049 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.818 -3.934 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.245 -4.231 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.617 -3.641 0.884 1.00 0.00 H new ATOM 888 N TYR A 57 70.448 -0.872 3.262 1.00 0.00 N ATOM 889 CA TYR A 57 71.637 0.022 3.279 1.00 0.00 C ATOM 890 C TYR A 57 72.910 -0.823 3.320 1.00 0.00 C ATOM 891 O TYR A 57 72.929 -1.902 3.875 1.00 0.00 O ATOM 892 CB TYR A 57 71.494 0.863 4.547 1.00 0.00 C ATOM 893 CG TYR A 57 71.184 2.292 4.168 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.171 3.091 3.581 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.905 2.814 4.400 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.882 4.415 3.228 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.616 4.138 4.047 1.00 0.00 C ATOM 898 CZ TYR A 57 70.603 4.938 3.460 1.00 0.00 C ATOM 899 OH TYR A 57 70.318 6.243 3.112 1.00 0.00 O ATOM 0 H TYR A 57 70.103 -1.161 4.178 1.00 0.00 H new ATOM 0 HA TYR A 57 71.700 0.654 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.699 0.461 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.414 0.821 5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.156 2.687 3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.143 2.196 4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.645 5.033 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.631 4.542 4.228 1.00 0.00 H new ATOM 0 HH TYR A 57 69.387 6.446 3.339 1.00 0.00 H new ATOM 909 N ILE A 58 73.968 -0.354 2.725 1.00 0.00 N ATOM 910 CA ILE A 58 75.229 -1.154 2.726 1.00 0.00 C ATOM 911 C ILE A 58 76.414 -0.260 3.098 1.00 0.00 C ATOM 912 O ILE A 58 76.652 0.756 2.477 1.00 0.00 O ATOM 913 CB ILE A 58 75.391 -1.686 1.292 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.032 -1.794 0.590 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.039 -3.069 1.336 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.152 -2.797 1.332 1.00 0.00 C ATOM 0 H ILE A 58 74.018 0.542 2.240 1.00 0.00 H new ATOM 0 HA ILE A 58 75.192 -1.967 3.451 1.00 0.00 H new ATOM 0 HB ILE A 58 76.018 -0.990 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.546 -0.819 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.169 -2.110 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.155 -3.449 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.018 -2.997 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.407 -3.749 1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.186 -2.873 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.637 -3.773 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.004 -2.462 2.358 1.00 0.00 H new ATOM 928 N GLU A 59 77.164 -0.629 4.102 1.00 0.00 N ATOM 929 CA GLU A 59 78.332 0.208 4.499 1.00 0.00 C ATOM 930 C GLU A 59 79.624 -0.598 4.341 1.00 0.00 C ATOM 931 O GLU A 59 79.864 -1.552 5.053 1.00 0.00 O ATOM 932 CB GLU A 59 78.103 0.594 5.970 1.00 0.00 C ATOM 933 CG GLU A 59 77.247 -0.459 6.687 1.00 0.00 C ATOM 934 CD GLU A 59 77.381 -0.282 8.200 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.277 0.435 8.615 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.587 -0.867 8.918 1.00 0.00 O ATOM 0 H GLU A 59 77.019 -1.469 4.662 1.00 0.00 H new ATOM 0 HA GLU A 59 78.426 1.097 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 59 79.063 0.695 6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.611 1.565 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.203 -0.358 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.566 -1.460 6.398 1.00 0.00 H new ATOM 943 N PHE A 60 80.453 -0.228 3.401 1.00 0.00 N ATOM 944 CA PHE A 60 81.722 -0.981 3.190 1.00 0.00 C ATOM 945 C PHE A 60 82.859 -0.377 4.014 1.00 0.00 C ATOM 946 O PHE A 60 82.689 0.607 4.707 1.00 0.00 O ATOM 947 CB PHE A 60 82.024 -0.853 1.697 1.00 0.00 C ATOM 948 CG PHE A 60 80.986 -1.608 0.903 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.672 -1.130 0.830 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.338 -2.788 0.238 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.711 -1.832 0.093 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.376 -3.491 -0.499 1.00 0.00 C ATOM 953 CZ PHE A 60 79.063 -3.012 -0.572 1.00 0.00 C ATOM 0 H PHE A 60 80.306 0.561 2.772 1.00 0.00 H new ATOM 0 HA PHE A 60 81.627 -2.021 3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 60 82.027 0.197 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.018 -1.246 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.400 -0.219 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.352 -3.157 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.698 -1.463 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.648 -4.402 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.322 -3.553 -1.141 1.00 0.00 H new ATOM 963 N LYS A 61 84.018 -0.967 3.942 1.00 0.00 N ATOM 964 CA LYS A 61 85.180 -0.443 4.719 1.00 0.00 C ATOM 965 C LYS A 61 85.645 0.895 4.140 1.00 0.00 C ATOM 966 O LYS A 61 86.356 1.645 4.778 1.00 0.00 O ATOM 967 CB LYS A 61 86.270 -1.503 4.562 1.00 0.00 C ATOM 968 CG LYS A 61 87.192 -1.472 5.783 1.00 0.00 C ATOM 969 CD LYS A 61 88.409 -2.362 5.528 1.00 0.00 C ATOM 970 CE LYS A 61 89.671 -1.662 6.039 1.00 0.00 C ATOM 971 NZ LYS A 61 90.430 -1.296 4.811 1.00 0.00 N ATOM 0 H LYS A 61 84.214 -1.793 3.377 1.00 0.00 H new ATOM 0 HA LYS A 61 84.931 -0.265 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.820 -2.490 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.844 -1.317 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.512 -0.450 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.655 -1.817 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.283 -3.321 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.503 -2.571 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.422 -0.779 6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 61 90.255 -2.320 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 91.310 -0.811 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.659 -2.157 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.852 -0.664 4.221 1.00 0.00 H new ATOM 985 N SER A 62 85.251 1.198 2.935 1.00 0.00 N ATOM 986 CA SER A 62 85.672 2.487 2.317 1.00 0.00 C ATOM 987 C SER A 62 85.000 2.664 0.955 1.00 0.00 C ATOM 988 O SER A 62 84.546 1.714 0.345 1.00 0.00 O ATOM 989 CB SER A 62 87.188 2.374 2.156 1.00 0.00 C ATOM 990 OG SER A 62 87.570 1.008 2.240 1.00 0.00 O ATOM 0 H SER A 62 84.656 0.610 2.351 1.00 0.00 H new ATOM 0 HA SER A 62 85.390 3.347 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.495 2.791 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.691 2.952 2.931 1.00 0.00 H new ATOM 0 HG SER A 62 88.542 0.933 2.135 1.00 0.00 H new ATOM 996 N GLU A 63 84.932 3.874 0.472 1.00 0.00 N ATOM 997 CA GLU A 63 84.290 4.109 -0.851 1.00 0.00 C ATOM 998 C GLU A 63 84.870 3.148 -1.890 1.00 0.00 C ATOM 999 O GLU A 63 84.171 2.661 -2.756 1.00 0.00 O ATOM 1000 CB GLU A 63 84.629 5.557 -1.207 1.00 0.00 C ATOM 1001 CG GLU A 63 84.234 5.831 -2.659 1.00 0.00 C ATOM 1002 CD GLU A 63 85.480 6.204 -3.466 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.145 7.152 -3.085 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.746 5.533 -4.450 1.00 0.00 O ATOM 0 H GLU A 63 85.292 4.708 0.935 1.00 0.00 H new ATOM 0 HA GLU A 63 83.213 3.941 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.102 6.240 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.695 5.737 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.759 4.950 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.504 6.640 -2.702 1.00 0.00 H new ATOM 1011 N ALA A 64 86.142 2.865 -1.808 1.00 0.00 N ATOM 1012 CA ALA A 64 86.758 1.933 -2.788 1.00 0.00 C ATOM 1013 C ALA A 64 86.117 0.554 -2.660 1.00 0.00 C ATOM 1014 O ALA A 64 85.841 -0.108 -3.641 1.00 0.00 O ATOM 1015 CB ALA A 64 88.240 1.880 -2.414 1.00 0.00 C ATOM 0 H ALA A 64 86.778 3.240 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 64 86.618 2.258 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.763 1.209 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.670 2.879 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.345 1.514 -1.393 1.00 0.00 H new ATOM 1021 N ASP A 65 85.859 0.123 -1.457 1.00 0.00 N ATOM 1022 CA ASP A 65 85.214 -1.204 -1.272 1.00 0.00 C ATOM 1023 C ASP A 65 83.772 -1.121 -1.765 1.00 0.00 C ATOM 1024 O ASP A 65 83.344 -1.883 -2.611 1.00 0.00 O ATOM 1025 CB ASP A 65 85.260 -1.466 0.235 1.00 0.00 C ATOM 1026 CG ASP A 65 86.596 -2.113 0.601 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.598 -1.725 0.022 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.596 -2.986 1.454 1.00 0.00 O ATOM 0 H ASP A 65 86.066 0.631 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 65 85.709 -2.002 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.135 -0.531 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.436 -2.118 0.527 1.00 0.00 H new ATOM 1033 N ALA A 66 83.027 -0.181 -1.253 1.00 0.00 N ATOM 1034 CA ALA A 66 81.617 -0.025 -1.701 1.00 0.00 C ATOM 1035 C ALA A 66 81.584 0.310 -3.195 1.00 0.00 C ATOM 1036 O ALA A 66 80.675 -0.068 -3.906 1.00 0.00 O ATOM 1037 CB ALA A 66 81.063 1.136 -0.875 1.00 0.00 C ATOM 0 H ALA A 66 83.334 0.485 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 66 81.031 -0.933 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.023 1.313 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.122 0.889 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.648 2.034 -1.072 1.00 0.00 H new ATOM 1043 N GLU A 67 82.576 1.014 -3.680 1.00 0.00 N ATOM 1044 CA GLU A 67 82.601 1.364 -5.127 1.00 0.00 C ATOM 1045 C GLU A 67 82.927 0.120 -5.955 1.00 0.00 C ATOM 1046 O GLU A 67 82.231 -0.216 -6.894 1.00 0.00 O ATOM 1047 CB GLU A 67 83.709 2.409 -5.266 1.00 0.00 C ATOM 1048 CG GLU A 67 83.948 2.704 -6.748 1.00 0.00 C ATOM 1049 CD GLU A 67 82.713 3.386 -7.339 1.00 0.00 C ATOM 1050 OE1 GLU A 67 81.874 3.821 -6.567 1.00 0.00 O ATOM 1051 OE2 GLU A 67 82.625 3.461 -8.554 1.00 0.00 O ATOM 0 H GLU A 67 83.366 1.359 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 67 81.643 1.744 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.429 3.323 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.627 2.045 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.822 3.345 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 84.157 1.779 -7.285 1.00 0.00 H new ATOM 1058 N LYS A 68 83.978 -0.575 -5.608 1.00 0.00 N ATOM 1059 CA LYS A 68 84.340 -1.801 -6.367 1.00 0.00 C ATOM 1060 C LYS A 68 83.173 -2.783 -6.322 1.00 0.00 C ATOM 1061 O LYS A 68 82.862 -3.446 -7.291 1.00 0.00 O ATOM 1062 CB LYS A 68 85.557 -2.376 -5.642 1.00 0.00 C ATOM 1063 CG LYS A 68 85.964 -3.700 -6.292 1.00 0.00 C ATOM 1064 CD LYS A 68 86.442 -3.441 -7.722 1.00 0.00 C ATOM 1065 CE LYS A 68 87.774 -4.158 -7.953 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.468 -5.603 -7.767 1.00 0.00 N ATOM 0 H LYS A 68 84.599 -0.345 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 68 84.559 -1.599 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.385 -1.669 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.325 -2.533 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.757 -4.173 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.119 -4.389 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.698 -3.795 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.559 -2.370 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.160 -3.961 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 68 88.532 -3.820 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.104 -6.172 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.605 -5.861 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.482 -5.787 -8.040 1.00 0.00 H new ATOM 1080 N ASN A 69 82.514 -2.868 -5.199 1.00 0.00 N ATOM 1081 CA ASN A 69 81.356 -3.793 -5.083 1.00 0.00 C ATOM 1082 C ASN A 69 80.140 -3.185 -5.785 1.00 0.00 C ATOM 1083 O ASN A 69 79.486 -3.824 -6.585 1.00 0.00 O ATOM 1084 CB ASN A 69 81.108 -3.919 -3.581 1.00 0.00 C ATOM 1085 CG ASN A 69 81.739 -5.214 -3.069 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.103 -5.981 -2.374 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.973 -5.491 -3.387 1.00 0.00 N ATOM 0 H ASN A 69 82.729 -2.335 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 69 81.540 -4.763 -5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.533 -3.063 -3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.037 -3.918 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.405 -6.352 -3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.506 -4.846 -3.971 1.00 0.00 H new ATOM 1094 N LEU A 70 79.834 -1.949 -5.496 1.00 0.00 N ATOM 1095 CA LEU A 70 78.664 -1.298 -6.150 1.00 0.00 C ATOM 1096 C LEU A 70 78.799 -1.387 -7.671 1.00 0.00 C ATOM 1097 O LEU A 70 77.822 -1.457 -8.388 1.00 0.00 O ATOM 1098 CB LEU A 70 78.711 0.158 -5.688 1.00 0.00 C ATOM 1099 CG LEU A 70 77.714 0.986 -6.500 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.570 1.442 -5.594 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.425 2.212 -7.078 1.00 0.00 C ATOM 0 H LEU A 70 80.344 -1.362 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 70 77.720 -1.776 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.472 0.221 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.718 0.557 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 70 77.313 0.379 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.860 2.032 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.064 0.570 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.969 2.050 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.716 2.804 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.825 2.818 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.241 1.888 -7.724 1.00 0.00 H new ATOM 1113 N GLU A 71 80.003 -1.388 -8.166 1.00 0.00 N ATOM 1114 CA GLU A 71 80.202 -1.475 -9.641 1.00 0.00 C ATOM 1115 C GLU A 71 80.236 -2.941 -10.085 1.00 0.00 C ATOM 1116 O GLU A 71 79.660 -3.308 -11.090 1.00 0.00 O ATOM 1117 CB GLU A 71 81.551 -0.805 -9.900 1.00 0.00 C ATOM 1118 CG GLU A 71 81.339 0.688 -10.157 1.00 0.00 C ATOM 1119 CD GLU A 71 82.372 1.185 -11.170 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.676 0.443 -12.089 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.843 2.300 -11.009 1.00 0.00 O ATOM 0 H GLU A 71 80.859 -1.332 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 71 79.396 -0.994 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.210 -0.947 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.039 -1.267 -10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.331 0.863 -10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.432 1.245 -9.225 1.00 0.00 H new ATOM 1128 N GLU A 72 80.915 -3.777 -9.349 1.00 0.00 N ATOM 1129 CA GLU A 72 80.998 -5.209 -9.730 1.00 0.00 C ATOM 1130 C GLU A 72 79.867 -6.015 -9.082 1.00 0.00 C ATOM 1131 O GLU A 72 79.836 -7.227 -9.162 1.00 0.00 O ATOM 1132 CB GLU A 72 82.356 -5.678 -9.207 1.00 0.00 C ATOM 1133 CG GLU A 72 82.908 -6.768 -10.127 1.00 0.00 C ATOM 1134 CD GLU A 72 83.989 -6.173 -11.031 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.956 -5.651 -10.501 1.00 0.00 O ATOM 1136 OE2 GLU A 72 83.833 -6.250 -12.238 1.00 0.00 O ATOM 0 H GLU A 72 81.417 -3.526 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 72 80.899 -5.348 -10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.050 -4.839 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.254 -6.061 -8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.323 -7.583 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.105 -7.190 -10.731 1.00 0.00 H new ATOM 1143 N LYS A 73 78.939 -5.361 -8.437 1.00 0.00 N ATOM 1144 CA LYS A 73 77.822 -6.112 -7.787 1.00 0.00 C ATOM 1145 C LYS A 73 76.463 -5.532 -8.196 1.00 0.00 C ATOM 1146 O LYS A 73 75.452 -6.201 -8.123 1.00 0.00 O ATOM 1147 CB LYS A 73 78.050 -5.942 -6.285 1.00 0.00 C ATOM 1148 CG LYS A 73 77.545 -7.184 -5.549 1.00 0.00 C ATOM 1149 CD LYS A 73 78.655 -8.237 -5.505 1.00 0.00 C ATOM 1150 CE LYS A 73 78.168 -9.523 -6.174 1.00 0.00 C ATOM 1151 NZ LYS A 73 79.368 -10.076 -6.862 1.00 0.00 N ATOM 0 H LYS A 73 78.904 -4.347 -8.331 1.00 0.00 H new ATOM 0 HA LYS A 73 77.811 -7.161 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.110 -5.792 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.528 -5.055 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.239 -6.921 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 73 76.667 -7.587 -6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.544 -7.864 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.939 -8.438 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 73 77.775 -10.226 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 73 77.365 -9.320 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 79.114 -10.961 -7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.716 -9.388 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.113 -10.266 -6.162 1.00 0.00 H new ATOM 1165 N GLN A 74 76.427 -4.297 -8.621 1.00 0.00 N ATOM 1166 CA GLN A 74 75.132 -3.680 -9.030 1.00 0.00 C ATOM 1167 C GLN A 74 74.368 -4.622 -9.963 1.00 0.00 C ATOM 1168 O GLN A 74 74.519 -4.580 -11.167 1.00 0.00 O ATOM 1169 CB GLN A 74 75.516 -2.395 -9.765 1.00 0.00 C ATOM 1170 CG GLN A 74 74.303 -1.863 -10.531 1.00 0.00 C ATOM 1171 CD GLN A 74 73.981 -0.444 -10.056 1.00 0.00 C ATOM 1172 OE1 GLN A 74 72.953 -0.212 -9.452 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.824 0.522 -10.304 1.00 0.00 N ATOM 0 H GLN A 74 77.241 -3.688 -8.703 1.00 0.00 H new ATOM 0 HA GLN A 74 74.484 -3.482 -8.176 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.867 -1.647 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.338 -2.589 -10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.508 -1.862 -11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.444 -2.515 -10.371 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.687 0.328 -10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.619 1.471 -9.991 1.00 0.00 H new ATOM 1182 N GLY A 75 73.552 -5.473 -9.411 1.00 0.00 N ATOM 1183 CA GLY A 75 72.777 -6.423 -10.258 1.00 0.00 C ATOM 1184 C GLY A 75 72.805 -7.816 -9.624 1.00 0.00 C ATOM 1185 O GLY A 75 71.840 -8.258 -9.036 1.00 0.00 O ATOM 0 H GLY A 75 73.387 -5.553 -8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.748 -6.079 -10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.201 -6.460 -11.261 1.00 0.00 H new ATOM 1189 N ALA A 76 73.906 -8.508 -9.740 1.00 0.00 N ATOM 1190 CA ALA A 76 73.999 -9.874 -9.143 1.00 0.00 C ATOM 1191 C ALA A 76 72.692 -10.645 -9.363 1.00 0.00 C ATOM 1192 O ALA A 76 71.765 -10.547 -8.583 1.00 0.00 O ATOM 1193 CB ALA A 76 74.236 -9.637 -7.651 1.00 0.00 C ATOM 0 H ALA A 76 74.746 -8.188 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 76 74.794 -10.467 -9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.316 -10.596 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.159 -9.074 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.402 -9.072 -7.235 1.00 0.00 H new ATOM 1199 N GLU A 77 72.611 -11.414 -10.416 1.00 0.00 N ATOM 1200 CA GLU A 77 71.363 -12.190 -10.677 1.00 0.00 C ATOM 1201 C GLU A 77 71.043 -13.086 -9.478 1.00 0.00 C ATOM 1202 O GLU A 77 71.445 -14.231 -9.422 1.00 0.00 O ATOM 1203 CB GLU A 77 71.675 -13.037 -11.912 1.00 0.00 C ATOM 1204 CG GLU A 77 70.715 -12.663 -13.043 1.00 0.00 C ATOM 1205 CD GLU A 77 70.019 -13.924 -13.562 1.00 0.00 C ATOM 1206 OE1 GLU A 77 69.999 -14.905 -12.837 1.00 0.00 O ATOM 1207 OE2 GLU A 77 69.521 -13.887 -14.674 1.00 0.00 O ATOM 0 H GLU A 77 73.353 -11.538 -11.105 1.00 0.00 H new ATOM 0 HA GLU A 77 70.498 -11.546 -10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.706 -12.874 -12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 77 71.578 -14.096 -11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 77 69.975 -11.948 -12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.261 -12.177 -13.852 1.00 0.00 H new ATOM 1214 N ILE A 78 70.326 -12.572 -8.515 1.00 0.00 N ATOM 1215 CA ILE A 78 69.983 -13.391 -7.316 1.00 0.00 C ATOM 1216 C ILE A 78 68.518 -13.177 -6.945 1.00 0.00 C ATOM 1217 O ILE A 78 67.816 -12.415 -7.580 1.00 0.00 O ATOM 1218 CB ILE A 78 70.886 -12.875 -6.194 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.326 -12.736 -6.692 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.855 -13.857 -5.022 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.068 -11.746 -5.798 1.00 0.00 C ATOM 0 H ILE A 78 69.962 -11.619 -8.507 1.00 0.00 H new ATOM 0 HA ILE A 78 70.128 -14.456 -7.495 1.00 0.00 H new ATOM 0 HB ILE A 78 70.523 -11.899 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.825 -13.705 -6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.335 -12.390 -7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.498 -13.490 -4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.834 -13.950 -4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.211 -14.832 -5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.096 -11.641 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.571 -10.777 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 78 73.068 -12.112 -4.771 1.00 0.00 H new ATOM 1233 N ASP A 79 68.049 -13.835 -5.919 1.00 0.00 N ATOM 1234 CA ASP A 79 66.627 -13.658 -5.518 1.00 0.00 C ATOM 1235 C ASP A 79 65.740 -13.663 -6.763 1.00 0.00 C ATOM 1236 O ASP A 79 64.691 -13.052 -6.797 1.00 0.00 O ATOM 1237 CB ASP A 79 66.581 -12.293 -4.825 1.00 0.00 C ATOM 1238 CG ASP A 79 66.232 -12.485 -3.347 1.00 0.00 C ATOM 1239 OD1 ASP A 79 65.400 -13.329 -3.060 1.00 0.00 O ATOM 1240 OD2 ASP A 79 66.804 -11.783 -2.529 1.00 0.00 O ATOM 0 H ASP A 79 68.587 -14.484 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 79 66.270 -14.454 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.544 -11.792 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.840 -11.654 -5.305 1.00 0.00 H new ATOM 1245 N GLY A 80 66.163 -14.349 -7.787 1.00 0.00 N ATOM 1246 CA GLY A 80 65.365 -14.402 -9.034 1.00 0.00 C ATOM 1247 C GLY A 80 65.318 -13.011 -9.670 1.00 0.00 C ATOM 1248 O GLY A 80 64.350 -12.643 -10.305 1.00 0.00 O ATOM 0 H GLY A 80 67.035 -14.878 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.805 -15.117 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.355 -14.749 -8.817 1.00 0.00 H new ATOM 1252 N ARG A 81 66.357 -12.233 -9.508 1.00 0.00 N ATOM 1253 CA ARG A 81 66.360 -10.869 -10.109 1.00 0.00 C ATOM 1254 C ARG A 81 67.678 -10.157 -9.800 1.00 0.00 C ATOM 1255 O ARG A 81 68.427 -10.561 -8.932 1.00 0.00 O ATOM 1256 CB ARG A 81 65.191 -10.140 -9.446 1.00 0.00 C ATOM 1257 CG ARG A 81 65.369 -10.164 -7.927 1.00 0.00 C ATOM 1258 CD ARG A 81 64.319 -9.260 -7.275 1.00 0.00 C ATOM 1259 NE ARG A 81 63.106 -10.114 -7.141 1.00 0.00 N ATOM 1260 CZ ARG A 81 61.960 -9.693 -7.599 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.698 -8.415 -7.631 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.073 -10.551 -8.024 1.00 0.00 N ATOM 0 H ARG A 81 67.198 -12.483 -8.988 1.00 0.00 H new ATOM 0 HA ARG A 81 66.261 -10.897 -11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.143 -9.110 -9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.250 -10.616 -9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.268 -11.183 -7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.371 -9.825 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.657 -8.899 -6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.118 -8.382 -7.889 1.00 0.00 H new ATOM 0 HE ARG A 81 63.172 -11.027 -6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.390 -7.744 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.801 -8.087 -7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.276 -11.550 -7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.176 -10.222 -8.382 1.00 0.00 H new ATOM 1276 N SER A 82 67.969 -9.098 -10.506 1.00 0.00 N ATOM 1277 CA SER A 82 69.236 -8.361 -10.255 1.00 0.00 C ATOM 1278 C SER A 82 69.006 -7.249 -9.228 1.00 0.00 C ATOM 1279 O SER A 82 68.085 -6.465 -9.344 1.00 0.00 O ATOM 1280 CB SER A 82 69.619 -7.769 -11.608 1.00 0.00 C ATOM 1281 OG SER A 82 68.453 -7.636 -12.409 1.00 0.00 O ATOM 0 H SER A 82 67.382 -8.713 -11.246 1.00 0.00 H new ATOM 0 HA SER A 82 70.018 -9.005 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.093 -6.797 -11.472 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.345 -8.411 -12.106 1.00 0.00 H new ATOM 0 HG SER A 82 68.695 -7.254 -13.278 1.00 0.00 H new ATOM 1287 N VAL A 83 69.838 -7.175 -8.228 1.00 0.00 N ATOM 1288 CA VAL A 83 69.670 -6.112 -7.195 1.00 0.00 C ATOM 1289 C VAL A 83 70.417 -4.845 -7.616 1.00 0.00 C ATOM 1290 O VAL A 83 71.486 -4.905 -8.192 1.00 0.00 O ATOM 1291 CB VAL A 83 70.270 -6.694 -5.912 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.665 -7.252 -6.199 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.373 -5.590 -4.857 1.00 0.00 C ATOM 0 H VAL A 83 70.627 -7.804 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 83 68.625 -5.834 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 83 69.630 -7.497 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.087 -7.665 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.595 -8.037 -6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.308 -6.452 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.800 -6.000 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 83 71.013 -4.790 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.380 -5.193 -4.648 1.00 0.00 H new ATOM 1303 N SER A 84 69.861 -3.698 -7.337 1.00 0.00 N ATOM 1304 CA SER A 84 70.539 -2.429 -7.725 1.00 0.00 C ATOM 1305 C SER A 84 71.249 -1.816 -6.517 1.00 0.00 C ATOM 1306 O SER A 84 70.864 -2.028 -5.384 1.00 0.00 O ATOM 1307 CB SER A 84 69.415 -1.512 -8.207 1.00 0.00 C ATOM 1308 OG SER A 84 68.819 -0.872 -7.086 1.00 0.00 O ATOM 0 H SER A 84 68.968 -3.585 -6.858 1.00 0.00 H new ATOM 0 HA SER A 84 71.297 -2.585 -8.492 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.809 -0.767 -8.899 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.667 -2.089 -8.751 1.00 0.00 H new ATOM 0 HG SER A 84 69.251 -0.005 -6.936 1.00 0.00 H new ATOM 1314 N LEU A 85 72.284 -1.057 -6.750 1.00 0.00 N ATOM 1315 CA LEU A 85 73.018 -0.432 -5.615 1.00 0.00 C ATOM 1316 C LEU A 85 73.001 1.091 -5.754 1.00 0.00 C ATOM 1317 O LEU A 85 73.412 1.636 -6.759 1.00 0.00 O ATOM 1318 CB LEU A 85 74.446 -0.966 -5.726 1.00 0.00 C ATOM 1319 CG LEU A 85 74.408 -2.488 -5.850 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.803 -3.008 -6.201 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.960 -3.095 -4.520 1.00 0.00 C ATOM 0 H LEU A 85 72.653 -0.843 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 85 72.570 -0.668 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.943 -0.531 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.024 -0.675 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 85 73.707 -2.770 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.775 -4.094 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.125 -2.575 -7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.505 -2.726 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.932 -4.181 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.662 -2.811 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.966 -2.726 -4.268 1.00 0.00 H new ATOM 1333 N TYR A 86 72.531 1.783 -4.754 1.00 0.00 N ATOM 1334 CA TYR A 86 72.490 3.268 -4.834 1.00 0.00 C ATOM 1335 C TYR A 86 73.522 3.872 -3.885 1.00 0.00 C ATOM 1336 O TYR A 86 73.246 4.135 -2.732 1.00 0.00 O ATOM 1337 CB TYR A 86 71.083 3.655 -4.399 1.00 0.00 C ATOM 1338 CG TYR A 86 70.102 3.309 -5.494 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.951 4.161 -6.593 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.344 2.135 -5.407 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.041 3.841 -7.608 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.434 1.814 -6.422 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.282 2.668 -7.522 1.00 0.00 C ATOM 1344 OH TYR A 86 67.386 2.351 -8.523 1.00 0.00 O ATOM 0 H TYR A 86 72.174 1.384 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 86 72.720 3.631 -5.836 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.818 3.131 -3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.039 4.722 -4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.537 5.066 -6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.461 1.478 -4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.925 4.499 -8.457 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.850 0.908 -6.357 1.00 0.00 H new ATOM 0 HH TYR A 86 66.942 1.504 -8.309 1.00 0.00 H new ATOM 1354 N TYR A 87 74.711 4.087 -4.366 1.00 0.00 N ATOM 1355 CA TYR A 87 75.774 4.669 -3.505 1.00 0.00 C ATOM 1356 C TYR A 87 75.256 5.903 -2.769 1.00 0.00 C ATOM 1357 O TYR A 87 74.106 6.279 -2.886 1.00 0.00 O ATOM 1358 CB TYR A 87 76.894 5.068 -4.466 1.00 0.00 C ATOM 1359 CG TYR A 87 78.208 5.128 -3.727 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.835 3.947 -3.314 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.804 6.367 -3.459 1.00 0.00 C ATOM 1362 CE1 TYR A 87 80.057 4.003 -2.634 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.027 6.423 -2.780 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.653 5.241 -2.367 1.00 0.00 C ATOM 1365 OH TYR A 87 81.859 5.296 -1.700 1.00 0.00 O ATOM 0 H TYR A 87 74.994 3.884 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 87 76.110 3.961 -2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.958 4.348 -5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.673 6.037 -4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 87 78.376 2.992 -3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.320 7.279 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.540 3.091 -2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.488 7.378 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 87 81.758 5.832 -0.886 1.00 0.00 H new ATOM 1375 N THR A 88 76.105 6.534 -2.018 1.00 0.00 N ATOM 1376 CA THR A 88 75.694 7.744 -1.269 1.00 0.00 C ATOM 1377 C THR A 88 76.861 8.728 -1.219 1.00 0.00 C ATOM 1378 O THR A 88 77.391 9.136 -2.233 1.00 0.00 O ATOM 1379 CB THR A 88 75.327 7.225 0.123 1.00 0.00 C ATOM 1380 OG1 THR A 88 76.451 6.571 0.694 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.161 6.242 0.013 1.00 0.00 C ATOM 0 H THR A 88 77.079 6.259 -1.890 1.00 0.00 H new ATOM 0 HA THR A 88 74.859 8.277 -1.724 1.00 0.00 H new ATOM 0 HB THR A 88 75.033 8.061 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 88 76.594 5.713 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 88 73.901 5.873 1.005 1.00 0.00 H new ATOM 0 HG22 THR A 88 73.299 6.747 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 88 74.450 5.404 -0.621 1.00 0.00 H new