USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot 108:sc= -1.85! USER MOD Set 1.2: A 19 ASN : amide:sc= -5.77! C(o=-12!,f=-16!) USER MOD Set 1.3: A 62 TYR OH : rot -176:sc= -3.97! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.47) USER MOD Single : A 26 ASN : amide:sc= -3.6! C(o=-3.6!,f=-5.1!) USER MOD Single : A 28 ASN : amide:sc= -2.33! C(o=-2.3!,f=-8.8!) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.0442 (180deg=0.0429) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= -0.894 (180deg=-0.997) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.703 K(o=-0.7,f=-1.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 56 THR OG1 : rot 159:sc= 1.22 USER MOD Single : A 57 ASN : amide:sc= -0.0165 K(o=-0.016,f=-1.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -87:sc= -1.8! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 99:sc= 0.944 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -6.95! C(o=-7!,f=-5.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.861 9.964 -3.026 1.00 0.00 N ATOM 191 CA THR A 15 70.659 10.681 -1.734 1.00 0.00 C ATOM 192 C THR A 15 71.949 11.381 -1.310 1.00 0.00 C ATOM 193 O THR A 15 71.935 12.345 -0.568 1.00 0.00 O ATOM 194 CB THR A 15 70.275 9.591 -0.731 1.00 0.00 C ATOM 195 OG1 THR A 15 69.668 10.188 0.406 1.00 0.00 O ATOM 196 CG2 THR A 15 71.524 8.818 -0.300 1.00 0.00 C ATOM 0 HA THR A 15 69.893 11.453 -1.804 1.00 0.00 H new ATOM 0 HB THR A 15 69.573 8.902 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 15 69.420 9.491 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 15 71.244 8.043 0.414 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.986 8.357 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 15 72.233 9.502 0.166 1.00 0.00 H new ATOM 204 N THR A 16 73.062 10.901 -1.776 1.00 0.00 N ATOM 205 CA THR A 16 74.364 11.529 -1.406 1.00 0.00 C ATOM 206 C THR A 16 75.271 11.636 -2.633 1.00 0.00 C ATOM 207 O THR A 16 75.080 10.942 -3.612 1.00 0.00 O ATOM 208 CB THR A 16 74.976 10.590 -0.368 1.00 0.00 C ATOM 209 OG1 THR A 16 75.136 9.298 -0.935 1.00 0.00 O ATOM 210 CG2 THR A 16 74.057 10.505 0.851 1.00 0.00 C ATOM 0 H THR A 16 73.131 10.097 -2.400 1.00 0.00 H new ATOM 0 HA THR A 16 74.237 12.540 -1.018 1.00 0.00 H new ATOM 0 HB THR A 16 75.949 10.974 -0.060 1.00 0.00 H new ATOM 0 HG1 THR A 16 76.088 9.125 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.495 9.835 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 16 73.937 11.497 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.083 10.122 0.546 1.00 0.00 H new ATOM 218 N PRO A 17 76.229 12.516 -2.537 1.00 0.00 N ATOM 219 CA PRO A 17 77.181 12.737 -3.652 1.00 0.00 C ATOM 220 C PRO A 17 78.218 11.610 -3.717 1.00 0.00 C ATOM 221 O PRO A 17 78.904 11.448 -4.707 1.00 0.00 O ATOM 222 CB PRO A 17 77.850 14.060 -3.294 1.00 0.00 C ATOM 223 CG PRO A 17 77.727 14.173 -1.806 1.00 0.00 C ATOM 224 CD PRO A 17 76.505 13.391 -1.393 1.00 0.00 C ATOM 0 HA PRO A 17 76.693 12.754 -4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.895 14.069 -3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.361 14.896 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.618 13.780 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.634 15.217 -1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.690 12.814 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.663 14.051 -1.185 1.00 0.00 H new ATOM 232 N PHE A 18 78.348 10.834 -2.674 1.00 0.00 N ATOM 233 CA PHE A 18 79.352 9.733 -2.694 1.00 0.00 C ATOM 234 C PHE A 18 78.661 8.372 -2.613 1.00 0.00 C ATOM 235 O PHE A 18 77.926 8.086 -1.690 1.00 0.00 O ATOM 236 CB PHE A 18 80.226 9.971 -1.464 1.00 0.00 C ATOM 237 CG PHE A 18 81.019 11.237 -1.666 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.179 11.218 -2.450 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.589 12.431 -1.078 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.910 12.396 -2.644 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.319 13.610 -1.274 1.00 0.00 C ATOM 242 CZ PHE A 18 82.479 13.592 -2.057 1.00 0.00 C ATOM 0 H PHE A 18 77.805 10.915 -1.814 1.00 0.00 H new ATOM 0 HA PHE A 18 79.936 9.729 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.606 10.053 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.897 9.126 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.509 10.296 -2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.694 12.444 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.806 12.382 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.987 14.533 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.042 14.501 -2.209 1.00 0.00 H new ATOM 252 N ASN A 19 78.905 7.533 -3.576 1.00 0.00 N ATOM 253 CA ASN A 19 78.285 6.182 -3.578 1.00 0.00 C ATOM 254 C ASN A 19 79.316 5.155 -4.041 1.00 0.00 C ATOM 255 O ASN A 19 80.387 5.497 -4.500 1.00 0.00 O ATOM 256 CB ASN A 19 77.131 6.274 -4.577 1.00 0.00 C ATOM 257 CG ASN A 19 76.034 7.179 -4.012 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.992 7.433 -2.824 1.00 0.00 O ATOM 259 ND2 ASN A 19 75.137 7.679 -4.818 1.00 0.00 N ATOM 0 H ASN A 19 79.514 7.727 -4.371 1.00 0.00 H new ATOM 0 HA ASN A 19 77.936 5.876 -2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 19 77.490 6.670 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 19 76.730 5.280 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.401 8.283 -4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 19 75.172 7.466 -5.815 1.00 0.00 H new ATOM 266 N LEU A 20 79.005 3.900 -3.917 1.00 0.00 N ATOM 267 CA LEU A 20 79.966 2.847 -4.344 1.00 0.00 C ATOM 268 C LEU A 20 79.291 1.482 -4.353 1.00 0.00 C ATOM 269 O LEU A 20 78.219 1.297 -3.813 1.00 0.00 O ATOM 270 CB LEU A 20 81.136 2.923 -3.353 1.00 0.00 C ATOM 271 CG LEU A 20 80.744 2.420 -1.959 1.00 0.00 C ATOM 272 CD1 LEU A 20 79.421 3.038 -1.507 1.00 0.00 C ATOM 273 CD2 LEU A 20 80.614 0.902 -1.977 1.00 0.00 C ATOM 0 H LEU A 20 78.124 3.554 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 20 80.325 3.000 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 20 81.969 2.331 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 20 81.484 3.954 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 20 81.524 2.716 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 20 79.165 2.665 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.519 4.123 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 20 78.634 2.767 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 20 80.335 0.549 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 20 79.847 0.611 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.567 0.459 -2.265 1.00 0.00 H new ATOM 285 N PHE A 21 79.898 0.536 -5.010 1.00 0.00 N ATOM 286 CA PHE A 21 79.292 -0.812 -5.117 1.00 0.00 C ATOM 287 C PHE A 21 79.880 -1.772 -4.079 1.00 0.00 C ATOM 288 O PHE A 21 80.768 -1.425 -3.337 1.00 0.00 O ATOM 289 CB PHE A 21 79.687 -1.226 -6.522 1.00 0.00 C ATOM 290 CG PHE A 21 78.481 -1.619 -7.308 1.00 0.00 C ATOM 291 CD1 PHE A 21 77.340 -0.824 -7.255 1.00 0.00 C ATOM 292 CD2 PHE A 21 78.511 -2.768 -8.097 1.00 0.00 C ATOM 293 CE1 PHE A 21 76.208 -1.179 -7.996 1.00 0.00 C ATOM 294 CE2 PHE A 21 77.383 -3.130 -8.840 1.00 0.00 C ATOM 295 CZ PHE A 21 76.228 -2.335 -8.790 1.00 0.00 C ATOM 0 H PHE A 21 80.796 0.643 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 21 78.217 -0.822 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 21 80.201 -0.403 -7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 21 80.388 -2.060 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 21 77.329 0.066 -6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 21 79.402 -3.377 -8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.321 -0.564 -7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 21 77.401 -4.020 -9.451 1.00 0.00 H new ATOM 0 HZ PHE A 21 75.355 -2.613 -9.362 1.00 0.00 H new ATOM 305 N ILE A 22 79.390 -2.981 -4.031 1.00 0.00 N ATOM 306 CA ILE A 22 79.922 -3.975 -3.051 1.00 0.00 C ATOM 307 C ILE A 22 79.624 -5.391 -3.545 1.00 0.00 C ATOM 308 O ILE A 22 78.525 -5.692 -3.965 1.00 0.00 O ATOM 309 CB ILE A 22 79.181 -3.699 -1.742 1.00 0.00 C ATOM 310 CG1 ILE A 22 79.413 -2.247 -1.314 1.00 0.00 C ATOM 311 CG2 ILE A 22 79.704 -4.637 -0.654 1.00 0.00 C ATOM 312 CD1 ILE A 22 78.906 -2.050 0.116 1.00 0.00 C ATOM 0 H ILE A 22 78.640 -3.326 -4.631 1.00 0.00 H new ATOM 0 HA ILE A 22 81.001 -3.891 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 22 78.114 -3.867 -1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 22 80.474 -2.005 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 22 78.894 -1.569 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.177 -4.441 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.538 -5.671 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 22 80.771 -4.468 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 22 79.071 -1.017 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 22 77.840 -2.275 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 22 79.445 -2.717 0.788 1.00 0.00 H new ATOM 324 N GLY A 23 80.592 -6.262 -3.509 1.00 0.00 N ATOM 325 CA GLY A 23 80.355 -7.651 -3.987 1.00 0.00 C ATOM 326 C GLY A 23 80.909 -8.654 -2.973 1.00 0.00 C ATOM 327 O GLY A 23 81.657 -8.304 -2.081 1.00 0.00 O ATOM 0 H GLY A 23 81.535 -6.073 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.287 -7.818 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.834 -7.798 -4.955 1.00 0.00 H new ATOM 331 N ASN A 24 80.547 -9.901 -3.110 1.00 0.00 N ATOM 332 CA ASN A 24 81.046 -10.947 -2.164 1.00 0.00 C ATOM 333 C ASN A 24 80.373 -10.798 -0.798 1.00 0.00 C ATOM 334 O ASN A 24 80.932 -10.239 0.125 1.00 0.00 O ATOM 335 CB ASN A 24 82.554 -10.710 -2.051 1.00 0.00 C ATOM 336 CG ASN A 24 83.244 -12.001 -1.606 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.004 -13.055 -2.162 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.097 -11.964 -0.618 1.00 0.00 N ATOM 0 H ASN A 24 79.923 -10.245 -3.840 1.00 0.00 H new ATOM 0 HA ASN A 24 80.822 -11.953 -2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.954 -10.384 -3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.755 -9.913 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 24 84.562 -12.819 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.299 -11.080 -0.151 1.00 0.00 H new ATOM 345 N LEU A 25 79.177 -11.302 -0.661 1.00 0.00 N ATOM 346 CA LEU A 25 78.466 -11.200 0.645 1.00 0.00 C ATOM 347 C LEU A 25 78.154 -12.595 1.180 1.00 0.00 C ATOM 348 O LEU A 25 77.600 -13.429 0.492 1.00 0.00 O ATOM 349 CB LEU A 25 77.176 -10.439 0.341 1.00 0.00 C ATOM 350 CG LEU A 25 77.474 -8.942 0.248 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.085 -8.461 1.565 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.460 -8.687 -0.893 1.00 0.00 C ATOM 0 H LEU A 25 78.661 -11.781 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 25 79.064 -10.693 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.745 -10.793 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.439 -10.626 1.122 1.00 0.00 H new ATOM 0 HG LEU A 25 76.548 -8.399 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.298 -7.394 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.383 -8.642 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.010 -9.004 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.672 -7.620 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.386 -9.230 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.026 -9.029 -1.832 1.00 0.00 H new ATOM 364 N ASN A 26 78.512 -12.851 2.404 1.00 0.00 N ATOM 365 CA ASN A 26 78.247 -14.188 3.001 1.00 0.00 C ATOM 366 C ASN A 26 76.855 -14.685 2.602 1.00 0.00 C ATOM 367 O ASN A 26 75.861 -14.261 3.156 1.00 0.00 O ATOM 368 CB ASN A 26 78.321 -13.954 4.507 1.00 0.00 C ATOM 369 CG ASN A 26 78.549 -15.288 5.220 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.701 -16.312 4.583 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.581 -15.321 6.523 1.00 0.00 N ATOM 0 H ASN A 26 78.980 -12.188 3.022 1.00 0.00 H new ATOM 0 HA ASN A 26 78.956 -14.944 2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.131 -13.262 4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.398 -13.494 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.734 -16.206 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.454 -14.462 7.058 1.00 0.00 H new ATOM 378 N PRO A 27 76.836 -15.576 1.649 1.00 0.00 N ATOM 379 CA PRO A 27 75.556 -16.147 1.165 1.00 0.00 C ATOM 380 C PRO A 27 74.975 -17.106 2.208 1.00 0.00 C ATOM 381 O PRO A 27 73.785 -17.353 2.245 1.00 0.00 O ATOM 382 CB PRO A 27 75.953 -16.893 -0.104 1.00 0.00 C ATOM 383 CG PRO A 27 77.403 -17.216 0.073 1.00 0.00 C ATOM 384 CD PRO A 27 77.994 -16.134 0.940 1.00 0.00 C ATOM 0 HA PRO A 27 74.789 -15.394 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.360 -17.799 -0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.791 -16.279 -0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.526 -18.194 0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.909 -17.257 -0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.731 -16.537 1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.500 -15.376 0.343 1.00 0.00 H new ATOM 392 N ASN A 28 75.806 -17.646 3.058 1.00 0.00 N ATOM 393 CA ASN A 28 75.302 -18.586 4.100 1.00 0.00 C ATOM 394 C ASN A 28 74.660 -17.803 5.246 1.00 0.00 C ATOM 395 O ASN A 28 73.929 -18.344 6.051 1.00 0.00 O ATOM 396 CB ASN A 28 76.541 -19.338 4.590 1.00 0.00 C ATOM 397 CG ASN A 28 77.216 -20.037 3.410 1.00 0.00 C ATOM 398 OD1 ASN A 28 77.159 -19.560 2.293 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.857 -21.155 3.609 1.00 0.00 N ATOM 0 H ASN A 28 76.812 -17.477 3.076 1.00 0.00 H new ATOM 0 HA ASN A 28 74.542 -19.265 3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.237 -18.644 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.259 -20.070 5.347 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.310 -21.629 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.905 -21.556 4.546 1.00 0.00 H new ATOM 406 N LYS A 29 74.925 -16.529 5.319 1.00 0.00 N ATOM 407 CA LYS A 29 74.331 -15.700 6.405 1.00 0.00 C ATOM 408 C LYS A 29 73.251 -14.785 5.829 1.00 0.00 C ATOM 409 O LYS A 29 72.668 -15.067 4.801 1.00 0.00 O ATOM 410 CB LYS A 29 75.495 -14.876 6.956 1.00 0.00 C ATOM 411 CG LYS A 29 75.728 -15.236 8.424 1.00 0.00 C ATOM 412 CD LYS A 29 74.625 -14.614 9.284 1.00 0.00 C ATOM 413 CE LYS A 29 74.852 -14.985 10.752 1.00 0.00 C ATOM 414 NZ LYS A 29 74.380 -13.802 11.525 1.00 0.00 N ATOM 0 H LYS A 29 75.530 -16.024 4.671 1.00 0.00 H new ATOM 0 HA LYS A 29 73.860 -16.304 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.397 -15.069 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.277 -13.812 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.733 -16.319 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.704 -14.874 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.626 -13.530 9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.649 -14.969 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.295 -15.882 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.904 -15.191 10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.535 -13.966 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.910 -12.958 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.366 -13.654 11.349 1.00 0.00 H new ATOM 428 N SER A 30 72.980 -13.691 6.481 1.00 0.00 N ATOM 429 CA SER A 30 71.937 -12.761 5.966 1.00 0.00 C ATOM 430 C SER A 30 72.584 -11.553 5.294 1.00 0.00 C ATOM 431 O SER A 30 73.620 -11.070 5.716 1.00 0.00 O ATOM 432 CB SER A 30 71.154 -12.311 7.193 1.00 0.00 C ATOM 433 OG SER A 30 71.047 -13.392 8.109 1.00 0.00 O ATOM 0 H SER A 30 73.434 -13.400 7.347 1.00 0.00 H new ATOM 0 HA SER A 30 71.300 -13.243 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.654 -11.467 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.161 -11.970 6.899 1.00 0.00 H new ATOM 0 HG SER A 30 70.545 -13.103 8.899 1.00 0.00 H new ATOM 439 N VAL A 31 71.978 -11.052 4.259 1.00 0.00 N ATOM 440 CA VAL A 31 72.558 -9.868 3.575 1.00 0.00 C ATOM 441 C VAL A 31 72.459 -8.652 4.493 1.00 0.00 C ATOM 442 O VAL A 31 73.388 -7.880 4.620 1.00 0.00 O ATOM 443 CB VAL A 31 71.726 -9.668 2.307 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.517 -8.819 1.310 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.412 -11.026 1.670 1.00 0.00 C ATOM 0 H VAL A 31 71.110 -11.409 3.858 1.00 0.00 H new ATOM 0 HA VAL A 31 73.611 -10.005 3.330 1.00 0.00 H new ATOM 0 HB VAL A 31 70.794 -9.165 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.926 -8.675 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.741 -7.850 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.448 -9.327 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.819 -10.876 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.343 -11.531 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.850 -11.638 2.376 1.00 0.00 H new ATOM 455 N ALA A 32 71.344 -8.485 5.152 1.00 0.00 N ATOM 456 CA ALA A 32 71.201 -7.328 6.077 1.00 0.00 C ATOM 457 C ALA A 32 72.326 -7.369 7.110 1.00 0.00 C ATOM 458 O ALA A 32 72.855 -6.353 7.513 1.00 0.00 O ATOM 459 CB ALA A 32 69.839 -7.515 6.747 1.00 0.00 C ATOM 0 H ALA A 32 70.531 -9.097 5.089 1.00 0.00 H new ATOM 0 HA ALA A 32 71.261 -6.367 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.662 -6.697 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 32 69.057 -7.519 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.826 -8.462 7.286 1.00 0.00 H new ATOM 465 N GLU A 33 72.706 -8.547 7.527 1.00 0.00 N ATOM 466 CA GLU A 33 73.811 -8.666 8.519 1.00 0.00 C ATOM 467 C GLU A 33 75.106 -8.157 7.888 1.00 0.00 C ATOM 468 O GLU A 33 75.860 -7.423 8.497 1.00 0.00 O ATOM 469 CB GLU A 33 73.914 -10.159 8.828 1.00 0.00 C ATOM 470 CG GLU A 33 72.667 -10.616 9.586 1.00 0.00 C ATOM 471 CD GLU A 33 72.696 -10.048 11.008 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.405 -10.603 11.831 1.00 0.00 O ATOM 473 OE2 GLU A 33 72.009 -9.069 11.248 1.00 0.00 O ATOM 0 H GLU A 33 72.298 -9.431 7.223 1.00 0.00 H new ATOM 0 HA GLU A 33 73.632 -8.084 9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.017 -10.725 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.806 -10.356 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.769 -10.280 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.627 -11.705 9.619 1.00 0.00 H new ATOM 480 N LEU A 34 75.360 -8.526 6.661 1.00 0.00 N ATOM 481 CA LEU A 34 76.586 -8.052 5.982 1.00 0.00 C ATOM 482 C LEU A 34 76.559 -6.529 5.926 1.00 0.00 C ATOM 483 O LEU A 34 77.561 -5.867 6.106 1.00 0.00 O ATOM 484 CB LEU A 34 76.496 -8.644 4.580 1.00 0.00 C ATOM 485 CG LEU A 34 76.625 -10.165 4.658 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.951 -10.798 3.438 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.107 -10.549 4.678 1.00 0.00 C ATOM 0 H LEU A 34 74.765 -9.138 6.103 1.00 0.00 H new ATOM 0 HA LEU A 34 77.506 -8.347 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.546 -8.372 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 34 77.285 -8.234 3.949 1.00 0.00 H new ATOM 0 HG LEU A 34 76.143 -10.525 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.043 -11.883 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.896 -10.524 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.433 -10.439 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.201 -11.634 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.588 -10.189 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.588 -10.098 5.546 1.00 0.00 H new ATOM 499 N LYS A 35 75.405 -5.974 5.689 1.00 0.00 N ATOM 500 CA LYS A 35 75.290 -4.495 5.632 1.00 0.00 C ATOM 501 C LYS A 35 75.719 -3.901 6.974 1.00 0.00 C ATOM 502 O LYS A 35 76.590 -3.056 7.046 1.00 0.00 O ATOM 503 CB LYS A 35 73.810 -4.214 5.366 1.00 0.00 C ATOM 504 CG LYS A 35 73.411 -4.800 4.010 1.00 0.00 C ATOM 505 CD LYS A 35 74.295 -4.204 2.913 1.00 0.00 C ATOM 506 CE LYS A 35 75.119 -5.317 2.264 1.00 0.00 C ATOM 507 NZ LYS A 35 76.069 -4.613 1.357 1.00 0.00 N ATOM 0 H LYS A 35 74.535 -6.483 5.532 1.00 0.00 H new ATOM 0 HA LYS A 35 75.923 -4.055 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.199 -4.651 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.626 -3.140 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.516 -5.885 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 35 72.363 -4.584 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 35 73.679 -3.708 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 35 74.955 -3.446 3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 35 75.650 -5.904 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 35 74.483 -6.008 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 76.757 -5.295 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.543 -4.180 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 76.571 -3.872 1.887 1.00 0.00 H new ATOM 521 N VAL A 36 75.119 -4.353 8.041 1.00 0.00 N ATOM 522 CA VAL A 36 75.494 -3.835 9.387 1.00 0.00 C ATOM 523 C VAL A 36 76.995 -3.987 9.595 1.00 0.00 C ATOM 524 O VAL A 36 77.625 -3.159 10.209 1.00 0.00 O ATOM 525 CB VAL A 36 74.737 -4.716 10.370 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.860 -4.134 11.780 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.262 -4.782 9.970 1.00 0.00 C ATOM 0 H VAL A 36 74.384 -5.060 8.039 1.00 0.00 H new ATOM 0 HA VAL A 36 75.251 -2.780 9.511 1.00 0.00 H new ATOM 0 HB VAL A 36 75.161 -5.720 10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.317 -4.766 12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.911 -4.092 12.066 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.439 -3.129 11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.722 -5.413 10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.837 -3.779 9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.175 -5.201 8.968 1.00 0.00 H new ATOM 537 N ALA A 37 77.577 -5.036 9.085 1.00 0.00 N ATOM 538 CA ALA A 37 79.042 -5.213 9.255 1.00 0.00 C ATOM 539 C ALA A 37 79.761 -4.075 8.538 1.00 0.00 C ATOM 540 O ALA A 37 80.802 -3.617 8.959 1.00 0.00 O ATOM 541 CB ALA A 37 79.367 -6.560 8.607 1.00 0.00 C ATOM 0 H ALA A 37 77.104 -5.773 8.562 1.00 0.00 H new ATOM 0 HA ALA A 37 79.355 -5.197 10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.435 -6.758 8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.809 -7.350 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 37 79.088 -6.534 7.554 1.00 0.00 H new ATOM 547 N ILE A 38 79.190 -3.604 7.466 1.00 0.00 N ATOM 548 CA ILE A 38 79.811 -2.478 6.722 1.00 0.00 C ATOM 549 C ILE A 38 79.424 -1.163 7.401 1.00 0.00 C ATOM 550 O ILE A 38 80.160 -0.195 7.372 1.00 0.00 O ATOM 551 CB ILE A 38 79.223 -2.557 5.311 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.352 -3.986 4.775 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.983 -1.606 4.387 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.281 -4.228 3.710 1.00 0.00 C ATOM 0 H ILE A 38 78.316 -3.953 7.073 1.00 0.00 H new ATOM 0 HA ILE A 38 80.900 -2.530 6.698 1.00 0.00 H new ATOM 0 HB ILE A 38 78.171 -2.275 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.344 -4.139 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.240 -4.703 5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.564 -1.663 3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.893 -0.586 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 38 81.035 -1.890 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.371 -5.245 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.293 -4.092 4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.414 -3.520 2.892 1.00 0.00 H new ATOM 566 N SER A 39 78.280 -1.129 8.034 1.00 0.00 N ATOM 567 CA SER A 39 77.858 0.120 8.731 1.00 0.00 C ATOM 568 C SER A 39 78.596 0.221 10.065 1.00 0.00 C ATOM 569 O SER A 39 78.866 1.296 10.567 1.00 0.00 O ATOM 570 CB SER A 39 76.355 -0.036 8.956 1.00 0.00 C ATOM 571 OG SER A 39 75.660 0.390 7.792 1.00 0.00 O ATOM 0 H SER A 39 77.624 -1.907 8.098 1.00 0.00 H new ATOM 0 HA SER A 39 78.083 1.021 8.161 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.115 -1.076 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.041 0.554 9.817 1.00 0.00 H new ATOM 0 HG SER A 39 74.695 0.290 7.932 1.00 0.00 H new ATOM 577 N GLU A 40 78.939 -0.900 10.630 1.00 0.00 N ATOM 578 CA GLU A 40 79.671 -0.899 11.920 1.00 0.00 C ATOM 579 C GLU A 40 81.148 -0.645 11.656 1.00 0.00 C ATOM 580 O GLU A 40 81.801 0.101 12.357 1.00 0.00 O ATOM 581 CB GLU A 40 79.450 -2.293 12.488 1.00 0.00 C ATOM 582 CG GLU A 40 79.197 -2.202 13.992 1.00 0.00 C ATOM 583 CD GLU A 40 80.535 -2.191 14.735 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.438 -2.886 14.299 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.633 -1.490 15.728 1.00 0.00 O ATOM 0 H GLU A 40 78.741 -1.825 10.248 1.00 0.00 H new ATOM 0 HA GLU A 40 79.329 -0.127 12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.601 -2.767 11.995 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.322 -2.918 12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.633 -1.298 14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.593 -3.047 14.322 1.00 0.00 H new ATOM 592 N LEU A 41 81.671 -1.250 10.629 1.00 0.00 N ATOM 593 CA LEU A 41 83.101 -1.032 10.294 1.00 0.00 C ATOM 594 C LEU A 41 83.301 0.436 9.933 1.00 0.00 C ATOM 595 O LEU A 41 84.319 1.029 10.229 1.00 0.00 O ATOM 596 CB LEU A 41 83.380 -1.934 9.091 1.00 0.00 C ATOM 597 CG LEU A 41 84.820 -2.445 9.158 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.861 -3.751 9.953 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.338 -2.697 7.742 1.00 0.00 C ATOM 0 H LEU A 41 81.170 -1.885 10.008 1.00 0.00 H new ATOM 0 HA LEU A 41 83.773 -1.266 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.685 -2.774 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.222 -1.382 8.165 1.00 0.00 H new ATOM 0 HG LEU A 41 85.447 -1.700 9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.887 -4.116 10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.491 -3.574 10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.234 -4.495 9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.364 -3.061 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.711 -3.442 7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.309 -1.768 7.173 1.00 0.00 H new ATOM 611 N PHE A 42 82.320 1.031 9.315 1.00 0.00 N ATOM 612 CA PHE A 42 82.430 2.463 8.956 1.00 0.00 C ATOM 613 C PHE A 42 82.126 3.309 10.192 1.00 0.00 C ATOM 614 O PHE A 42 82.554 4.439 10.309 1.00 0.00 O ATOM 615 CB PHE A 42 81.359 2.672 7.893 1.00 0.00 C ATOM 616 CG PHE A 42 81.868 2.234 6.538 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.188 2.503 6.154 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.008 1.563 5.658 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.645 2.101 4.894 1.00 0.00 C ATOM 620 CE2 PHE A 42 81.469 1.161 4.398 1.00 0.00 C ATOM 621 CZ PHE A 42 82.787 1.430 4.016 1.00 0.00 C ATOM 0 H PHE A 42 81.445 0.582 9.044 1.00 0.00 H new ATOM 0 HA PHE A 42 83.420 2.744 8.597 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.464 2.106 8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.072 3.723 7.858 1.00 0.00 H new ATOM 0 HD1 PHE A 42 83.853 3.020 6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 42 79.990 1.356 5.952 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.663 2.309 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 42 80.806 0.643 3.721 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.142 1.120 3.044 1.00 0.00 H new ATOM 631 N ALA A 43 81.393 2.756 11.122 1.00 0.00 N ATOM 632 CA ALA A 43 81.061 3.516 12.361 1.00 0.00 C ATOM 633 C ALA A 43 82.291 3.580 13.265 1.00 0.00 C ATOM 634 O ALA A 43 82.509 4.544 13.970 1.00 0.00 O ATOM 635 CB ALA A 43 79.942 2.717 13.030 1.00 0.00 C ATOM 0 H ALA A 43 81.010 1.812 11.077 1.00 0.00 H new ATOM 0 HA ALA A 43 80.755 4.542 12.156 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.641 3.214 13.952 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.087 2.654 12.357 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.299 1.713 13.259 1.00 0.00 H new ATOM 641 N LYS A 44 83.100 2.558 13.238 1.00 0.00 N ATOM 642 CA LYS A 44 84.326 2.552 14.082 1.00 0.00 C ATOM 643 C LYS A 44 85.481 3.185 13.305 1.00 0.00 C ATOM 644 O LYS A 44 86.478 3.590 13.869 1.00 0.00 O ATOM 645 CB LYS A 44 84.611 1.076 14.361 1.00 0.00 C ATOM 646 CG LYS A 44 83.788 0.614 15.565 1.00 0.00 C ATOM 647 CD LYS A 44 84.461 -0.600 16.208 1.00 0.00 C ATOM 648 CE LYS A 44 83.673 -1.024 17.449 1.00 0.00 C ATOM 649 NZ LYS A 44 84.615 -1.873 18.232 1.00 0.00 N ATOM 0 H LYS A 44 82.964 1.725 12.666 1.00 0.00 H new ATOM 0 HA LYS A 44 84.204 3.118 15.005 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.363 0.475 13.486 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.673 0.931 14.556 1.00 0.00 H new ATOM 0 HG2 LYS A 44 83.701 1.422 16.291 1.00 0.00 H new ATOM 0 HG3 LYS A 44 82.776 0.358 15.251 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.507 -1.423 15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 44 85.488 -0.357 16.482 1.00 0.00 H new ATOM 0 HE2 LYS A 44 83.349 -0.158 18.026 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.775 -1.579 17.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 84.146 -2.203 19.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 84.901 -2.693 17.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 85.457 -1.316 18.484 1.00 0.00 H new ATOM 663 N ASN A 45 85.347 3.275 12.010 1.00 0.00 N ATOM 664 CA ASN A 45 86.425 3.882 11.185 1.00 0.00 C ATOM 665 C ASN A 45 86.222 5.395 11.093 1.00 0.00 C ATOM 666 O ASN A 45 87.105 6.121 10.682 1.00 0.00 O ATOM 667 CB ASN A 45 86.273 3.237 9.809 1.00 0.00 C ATOM 668 CG ASN A 45 87.251 2.069 9.682 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.157 2.106 8.874 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.107 1.027 10.454 1.00 0.00 N ATOM 0 H ASN A 45 84.533 2.952 11.487 1.00 0.00 H new ATOM 0 HA ASN A 45 87.417 3.717 11.606 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.250 2.885 9.671 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.465 3.972 9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.755 0.243 10.379 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.346 0.996 11.133 1.00 0.00 H new ATOM 677 N ASP A 46 85.048 5.862 11.458 1.00 0.00 N ATOM 678 CA ASP A 46 84.732 7.323 11.394 1.00 0.00 C ATOM 679 C ASP A 46 84.287 7.666 9.982 1.00 0.00 C ATOM 680 O ASP A 46 84.483 8.762 9.495 1.00 0.00 O ATOM 681 CB ASP A 46 86.011 8.079 11.770 1.00 0.00 C ATOM 682 CG ASP A 46 85.643 9.417 12.414 1.00 0.00 C ATOM 683 OD1 ASP A 46 85.273 10.321 11.684 1.00 0.00 O ATOM 684 OD2 ASP A 46 85.739 9.514 13.627 1.00 0.00 O ATOM 0 H ASP A 46 84.285 5.280 11.803 1.00 0.00 H new ATOM 0 HA ASP A 46 83.929 7.598 12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 46 86.608 7.483 12.460 1.00 0.00 H new ATOM 0 HB3 ASP A 46 86.621 8.246 10.883 1.00 0.00 H new ATOM 689 N LEU A 47 83.674 6.723 9.328 1.00 0.00 N ATOM 690 CA LEU A 47 83.191 6.965 7.948 1.00 0.00 C ATOM 691 C LEU A 47 81.937 7.846 7.999 1.00 0.00 C ATOM 692 O LEU A 47 81.919 8.880 8.638 1.00 0.00 O ATOM 693 CB LEU A 47 82.883 5.561 7.409 1.00 0.00 C ATOM 694 CG LEU A 47 83.192 5.484 5.908 1.00 0.00 C ATOM 695 CD1 LEU A 47 82.735 6.759 5.198 1.00 0.00 C ATOM 696 CD2 LEU A 47 84.699 5.307 5.709 1.00 0.00 C ATOM 0 H LEU A 47 83.487 5.790 9.694 1.00 0.00 H new ATOM 0 HA LEU A 47 83.908 7.486 7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.475 4.820 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 47 81.835 5.319 7.584 1.00 0.00 H new ATOM 0 HG LEU A 47 82.656 4.635 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 47 82.963 6.685 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 47 81.660 6.884 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 47 83.256 7.618 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.921 5.252 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.226 6.155 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.025 4.388 6.195 1.00 0.00 H new ATOM 708 N ALA A 48 80.894 7.444 7.343 1.00 0.00 N ATOM 709 CA ALA A 48 79.636 8.240 7.350 1.00 0.00 C ATOM 710 C ALA A 48 78.648 7.618 6.371 1.00 0.00 C ATOM 711 O ALA A 48 78.137 8.265 5.478 1.00 0.00 O ATOM 712 CB ALA A 48 80.037 9.647 6.904 1.00 0.00 C ATOM 0 H ALA A 48 80.855 6.586 6.793 1.00 0.00 H new ATOM 0 HA ALA A 48 79.158 8.264 8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.156 10.288 6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.769 10.055 7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.473 9.602 5.906 1.00 0.00 H new ATOM 718 N VAL A 49 78.389 6.357 6.539 1.00 0.00 N ATOM 719 CA VAL A 49 77.453 5.653 5.642 1.00 0.00 C ATOM 720 C VAL A 49 76.093 6.334 5.655 1.00 0.00 C ATOM 721 O VAL A 49 75.414 6.401 6.660 1.00 0.00 O ATOM 722 CB VAL A 49 77.366 4.241 6.208 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.668 3.491 5.919 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.145 4.310 7.721 1.00 0.00 C ATOM 0 H VAL A 49 78.795 5.778 7.274 1.00 0.00 H new ATOM 0 HA VAL A 49 77.786 5.655 4.604 1.00 0.00 H new ATOM 0 HB VAL A 49 76.533 3.716 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.604 2.481 6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 49 78.827 3.440 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.502 4.017 6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.083 3.300 8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 49 77.978 4.837 8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.217 4.842 7.929 1.00 0.00 H new ATOM 734 N VAL A 50 75.706 6.838 4.531 1.00 0.00 N ATOM 735 CA VAL A 50 74.394 7.533 4.415 1.00 0.00 C ATOM 736 C VAL A 50 73.314 6.534 3.995 1.00 0.00 C ATOM 737 O VAL A 50 72.195 6.587 4.464 1.00 0.00 O ATOM 738 CB VAL A 50 74.595 8.598 3.330 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.568 9.716 3.509 1.00 0.00 C ATOM 740 CG2 VAL A 50 75.999 9.195 3.442 1.00 0.00 C ATOM 0 H VAL A 50 76.248 6.801 3.667 1.00 0.00 H new ATOM 0 HA VAL A 50 74.075 7.977 5.358 1.00 0.00 H new ATOM 0 HB VAL A 50 74.470 8.133 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.714 10.471 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.563 9.303 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.694 10.172 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.136 9.951 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.122 9.653 4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.741 8.407 3.314 1.00 0.00 H new ATOM 750 N ASP A 51 73.635 5.625 3.111 1.00 0.00 N ATOM 751 CA ASP A 51 72.605 4.632 2.674 1.00 0.00 C ATOM 752 C ASP A 51 73.259 3.322 2.220 1.00 0.00 C ATOM 753 O ASP A 51 74.110 3.305 1.356 1.00 0.00 O ATOM 754 CB ASP A 51 71.883 5.298 1.504 1.00 0.00 C ATOM 755 CG ASP A 51 71.443 6.706 1.907 1.00 0.00 C ATOM 756 OD1 ASP A 51 72.280 7.594 1.894 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.277 6.873 2.223 1.00 0.00 O ATOM 0 H ASP A 51 74.553 5.526 2.677 1.00 0.00 H new ATOM 0 HA ASP A 51 71.927 4.373 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.542 5.346 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 51 71.016 4.705 1.213 1.00 0.00 H new ATOM 762 N VAL A 52 72.854 2.221 2.794 1.00 0.00 N ATOM 763 CA VAL A 52 73.432 0.911 2.401 1.00 0.00 C ATOM 764 C VAL A 52 72.352 0.033 1.758 1.00 0.00 C ATOM 765 O VAL A 52 71.177 0.184 2.027 1.00 0.00 O ATOM 766 CB VAL A 52 73.921 0.287 3.710 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.244 0.932 4.123 1.00 0.00 C ATOM 768 CG2 VAL A 52 72.881 0.506 4.814 1.00 0.00 C ATOM 0 H VAL A 52 72.142 2.176 3.523 1.00 0.00 H new ATOM 0 HA VAL A 52 74.237 1.013 1.673 1.00 0.00 H new ATOM 0 HB VAL A 52 74.067 -0.783 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.591 0.486 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.988 0.767 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.098 2.003 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 52 73.236 0.059 5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 52 72.727 1.575 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 52 71.939 0.040 4.524 1.00 0.00 H new ATOM 778 N ARG A 53 72.741 -0.881 0.912 1.00 0.00 N ATOM 779 CA ARG A 53 71.735 -1.766 0.255 1.00 0.00 C ATOM 780 C ARG A 53 72.341 -3.141 -0.034 1.00 0.00 C ATOM 781 O ARG A 53 73.534 -3.342 0.080 1.00 0.00 O ATOM 782 CB ARG A 53 71.372 -1.058 -1.050 1.00 0.00 C ATOM 783 CG ARG A 53 69.867 -1.179 -1.296 1.00 0.00 C ATOM 784 CD ARG A 53 69.109 -0.370 -0.241 1.00 0.00 C ATOM 785 NE ARG A 53 67.711 -0.293 -0.748 1.00 0.00 N ATOM 786 CZ ARG A 53 66.952 0.716 -0.417 1.00 0.00 C ATOM 787 NH1 ARG A 53 67.011 1.211 0.790 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.132 1.230 -1.293 1.00 0.00 N ATOM 0 H ARG A 53 73.711 -1.054 0.647 1.00 0.00 H new ATOM 0 HA ARG A 53 70.862 -1.931 0.887 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.659 -0.008 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.923 -1.499 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.621 -0.816 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.564 -2.225 -1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.149 -0.856 0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.541 0.624 -0.120 1.00 0.00 H new ATOM 0 HE ARG A 53 67.347 -1.028 -1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.651 0.809 1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 53 66.417 2.000 1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.085 0.843 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.539 2.018 -1.035 1.00 0.00 H new ATOM 802 N THR A 54 71.525 -4.091 -0.399 1.00 0.00 N ATOM 803 CA THR A 54 72.036 -5.452 -0.687 1.00 0.00 C ATOM 804 C THR A 54 72.192 -5.663 -2.197 1.00 0.00 C ATOM 805 O THR A 54 71.597 -4.969 -2.996 1.00 0.00 O ATOM 806 CB THR A 54 70.958 -6.371 -0.125 1.00 0.00 C ATOM 807 OG1 THR A 54 69.717 -6.080 -0.753 1.00 0.00 O ATOM 808 CG2 THR A 54 70.832 -6.153 1.383 1.00 0.00 C ATOM 0 H THR A 54 70.517 -3.977 -0.510 1.00 0.00 H new ATOM 0 HA THR A 54 73.018 -5.636 -0.251 1.00 0.00 H new ATOM 0 HB THR A 54 71.229 -7.409 -0.317 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.022 -6.671 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 54 70.061 -6.811 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.784 -6.376 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.561 -5.116 1.579 1.00 0.00 H new ATOM 816 N GLY A 55 72.992 -6.619 -2.589 1.00 0.00 N ATOM 817 CA GLY A 55 73.193 -6.879 -4.043 1.00 0.00 C ATOM 818 C GLY A 55 72.543 -8.210 -4.419 1.00 0.00 C ATOM 819 O GLY A 55 72.942 -9.261 -3.958 1.00 0.00 O ATOM 0 H GLY A 55 73.515 -7.231 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.758 -6.071 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.258 -6.904 -4.275 1.00 0.00 H new ATOM 823 N THR A 56 71.542 -8.175 -5.256 1.00 0.00 N ATOM 824 CA THR A 56 70.865 -9.440 -5.664 1.00 0.00 C ATOM 825 C THR A 56 70.310 -10.162 -4.434 1.00 0.00 C ATOM 826 O THR A 56 70.026 -9.556 -3.421 1.00 0.00 O ATOM 827 CB THR A 56 71.957 -10.277 -6.332 1.00 0.00 C ATOM 828 OG1 THR A 56 72.918 -9.413 -6.922 1.00 0.00 O ATOM 829 CG2 THR A 56 71.335 -11.165 -7.409 1.00 0.00 C ATOM 0 H THR A 56 71.163 -7.326 -5.675 1.00 0.00 H new ATOM 0 HA THR A 56 70.023 -9.261 -6.333 1.00 0.00 H new ATOM 0 HB THR A 56 72.443 -10.905 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.762 -9.896 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.114 -11.761 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 56 70.599 -11.827 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 56 70.848 -10.541 -8.158 1.00 0.00 H new ATOM 837 N ASN A 57 70.156 -11.456 -4.514 1.00 0.00 N ATOM 838 CA ASN A 57 69.620 -12.216 -3.348 1.00 0.00 C ATOM 839 C ASN A 57 70.546 -12.048 -2.140 1.00 0.00 C ATOM 840 O ASN A 57 70.114 -11.694 -1.060 1.00 0.00 O ATOM 841 CB ASN A 57 69.593 -13.675 -3.804 1.00 0.00 C ATOM 842 CG ASN A 57 68.415 -13.893 -4.754 1.00 0.00 C ATOM 843 OD1 ASN A 57 67.373 -13.286 -4.598 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.535 -14.740 -5.739 1.00 0.00 N ATOM 0 H ASN A 57 70.378 -12.019 -5.335 1.00 0.00 H new ATOM 0 HA ASN A 57 68.633 -11.867 -3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.528 -13.928 -4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.504 -14.335 -2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 57 67.755 -14.893 -6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.409 -15.249 -5.870 1.00 0.00 H new ATOM 851 N ARG A 58 71.814 -12.300 -2.314 1.00 0.00 N ATOM 852 CA ARG A 58 72.765 -12.155 -1.175 1.00 0.00 C ATOM 853 C ARG A 58 74.196 -12.440 -1.643 1.00 0.00 C ATOM 854 O ARG A 58 74.901 -13.240 -1.060 1.00 0.00 O ATOM 855 CB ARG A 58 72.317 -13.196 -0.149 1.00 0.00 C ATOM 856 CG ARG A 58 72.166 -14.556 -0.834 1.00 0.00 C ATOM 857 CD ARG A 58 72.400 -15.671 0.187 1.00 0.00 C ATOM 858 NE ARG A 58 71.039 -16.057 0.654 1.00 0.00 N ATOM 859 CZ ARG A 58 70.901 -16.973 1.573 1.00 0.00 C ATOM 860 NH1 ARG A 58 71.175 -18.219 1.300 1.00 0.00 N ATOM 861 NH2 ARG A 58 70.488 -16.642 2.766 1.00 0.00 N ATOM 0 H ARG A 58 72.233 -12.600 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 58 72.762 -11.148 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 58 73.046 -13.263 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.370 -12.896 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.170 -14.648 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.879 -14.643 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 58 72.917 -16.518 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 58 73.018 -15.325 1.015 1.00 0.00 H new ATOM 0 HE ARG A 58 70.216 -15.606 0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 58 71.497 -18.478 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 58 71.067 -18.934 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 58 70.273 -15.668 2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 58 70.380 -17.357 3.485 1.00 0.00 H new ATOM 875 N LYS A 59 74.628 -11.795 -2.692 1.00 0.00 N ATOM 876 CA LYS A 59 76.011 -12.034 -3.196 1.00 0.00 C ATOM 877 C LYS A 59 76.782 -10.713 -3.289 1.00 0.00 C ATOM 878 O LYS A 59 77.997 -10.694 -3.294 1.00 0.00 O ATOM 879 CB LYS A 59 75.829 -12.648 -4.584 1.00 0.00 C ATOM 880 CG LYS A 59 75.913 -14.172 -4.484 1.00 0.00 C ATOM 881 CD LYS A 59 77.364 -14.589 -4.233 1.00 0.00 C ATOM 882 CE LYS A 59 78.237 -14.129 -5.403 1.00 0.00 C ATOM 883 NZ LYS A 59 79.011 -15.337 -5.802 1.00 0.00 N ATOM 0 H LYS A 59 74.084 -11.114 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 59 76.581 -12.686 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.866 -12.353 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.597 -12.275 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.276 -14.529 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 59 75.547 -14.628 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.724 -14.150 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.428 -15.671 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 59 77.629 -13.759 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.899 -13.316 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 79.634 -15.102 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.586 -15.662 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.354 -16.092 -6.086 1.00 0.00 H new ATOM 897 N PHE A 60 76.089 -9.607 -3.362 1.00 0.00 N ATOM 898 CA PHE A 60 76.793 -8.292 -3.453 1.00 0.00 C ATOM 899 C PHE A 60 76.060 -7.246 -2.608 1.00 0.00 C ATOM 900 O PHE A 60 75.380 -7.571 -1.655 1.00 0.00 O ATOM 901 CB PHE A 60 76.757 -7.891 -4.936 1.00 0.00 C ATOM 902 CG PHE A 60 76.788 -9.120 -5.818 1.00 0.00 C ATOM 903 CD1 PHE A 60 75.597 -9.786 -6.126 1.00 0.00 C ATOM 904 CD2 PHE A 60 78.005 -9.589 -6.325 1.00 0.00 C ATOM 905 CE1 PHE A 60 75.622 -10.923 -6.943 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.031 -10.726 -7.141 1.00 0.00 C ATOM 907 CZ PHE A 60 76.839 -11.393 -7.449 1.00 0.00 C ATOM 0 H PHE A 60 75.070 -9.556 -3.363 1.00 0.00 H new ATOM 0 HA PHE A 60 77.816 -8.359 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.856 -7.312 -5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.608 -7.249 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 60 74.658 -9.423 -5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 60 78.924 -9.074 -6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 60 74.703 -11.437 -7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 60 78.970 -11.089 -7.533 1.00 0.00 H new ATOM 0 HZ PHE A 60 76.859 -12.271 -8.078 1.00 0.00 H new ATOM 917 N GLY A 61 76.192 -5.993 -2.951 1.00 0.00 N ATOM 918 CA GLY A 61 75.498 -4.932 -2.164 1.00 0.00 C ATOM 919 C GLY A 61 75.952 -3.546 -2.630 1.00 0.00 C ATOM 920 O GLY A 61 76.827 -3.412 -3.463 1.00 0.00 O ATOM 0 H GLY A 61 76.748 -5.659 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.419 -5.028 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.714 -5.056 -1.103 1.00 0.00 H new ATOM 924 N TYR A 62 75.362 -2.516 -2.090 1.00 0.00 N ATOM 925 CA TYR A 62 75.750 -1.128 -2.483 1.00 0.00 C ATOM 926 C TYR A 62 75.679 -0.211 -1.269 1.00 0.00 C ATOM 927 O TYR A 62 75.168 -0.579 -0.231 1.00 0.00 O ATOM 928 CB TYR A 62 74.732 -0.713 -3.549 1.00 0.00 C ATOM 929 CG TYR A 62 74.736 0.791 -3.703 1.00 0.00 C ATOM 930 CD1 TYR A 62 75.706 1.412 -4.498 1.00 0.00 C ATOM 931 CD2 TYR A 62 73.768 1.564 -3.050 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.710 2.804 -4.641 1.00 0.00 C ATOM 933 CE2 TYR A 62 73.771 2.957 -3.193 1.00 0.00 C ATOM 934 CZ TYR A 62 74.742 3.577 -3.988 1.00 0.00 C ATOM 935 OH TYR A 62 74.745 4.949 -4.131 1.00 0.00 O ATOM 0 H TYR A 62 74.623 -2.574 -1.389 1.00 0.00 H new ATOM 0 HA TYR A 62 76.769 -1.069 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.975 -1.186 -4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.737 -1.056 -3.267 1.00 0.00 H new ATOM 0 HD1 TYR A 62 76.453 0.816 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 62 73.019 1.086 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 62 76.459 3.282 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 62 73.024 3.553 -2.690 1.00 0.00 H new ATOM 0 HH TYR A 62 74.048 5.339 -3.563 1.00 0.00 H new ATOM 945 N VAL A 63 76.204 0.973 -1.383 1.00 0.00 N ATOM 946 CA VAL A 63 76.183 1.895 -0.222 1.00 0.00 C ATOM 947 C VAL A 63 76.379 3.342 -0.683 1.00 0.00 C ATOM 948 O VAL A 63 76.820 3.603 -1.785 1.00 0.00 O ATOM 949 CB VAL A 63 77.360 1.431 0.637 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.756 2.533 1.608 1.00 0.00 C ATOM 951 CG2 VAL A 63 76.970 0.178 1.426 1.00 0.00 C ATOM 0 H VAL A 63 76.645 1.340 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 63 75.237 1.875 0.320 1.00 0.00 H new ATOM 0 HB VAL A 63 78.202 1.200 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.595 2.197 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 63 78.047 3.423 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.911 2.770 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 63 77.814 -0.146 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.122 0.404 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.696 -0.618 0.733 1.00 0.00 H new ATOM 961 N ASP A 64 76.060 4.282 0.161 1.00 0.00 N ATOM 962 CA ASP A 64 76.228 5.711 -0.200 1.00 0.00 C ATOM 963 C ASP A 64 76.965 6.429 0.927 1.00 0.00 C ATOM 964 O ASP A 64 76.684 6.216 2.091 1.00 0.00 O ATOM 965 CB ASP A 64 74.812 6.250 -0.337 1.00 0.00 C ATOM 966 CG ASP A 64 73.980 5.300 -1.202 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.780 4.172 -0.783 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.561 5.717 -2.268 1.00 0.00 O ATOM 0 H ASP A 64 75.686 4.116 1.095 1.00 0.00 H new ATOM 0 HA ASP A 64 76.804 5.853 -1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.356 6.355 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.832 7.243 -0.786 1.00 0.00 H new ATOM 973 N PHE A 65 77.907 7.264 0.590 1.00 0.00 N ATOM 974 CA PHE A 65 78.681 7.989 1.640 1.00 0.00 C ATOM 975 C PHE A 65 78.216 9.438 1.766 1.00 0.00 C ATOM 976 O PHE A 65 77.350 9.891 1.046 1.00 0.00 O ATOM 977 CB PHE A 65 80.133 7.925 1.173 1.00 0.00 C ATOM 978 CG PHE A 65 80.624 6.508 1.311 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.349 5.788 2.479 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.346 5.911 0.272 1.00 0.00 C ATOM 981 CE1 PHE A 65 80.796 4.471 2.609 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.793 4.592 0.401 1.00 0.00 C ATOM 983 CZ PHE A 65 81.517 3.874 1.570 1.00 0.00 C ATOM 0 H PHE A 65 78.177 7.478 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 65 78.545 7.542 2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.211 8.252 0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.751 8.598 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 65 79.791 6.251 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.558 6.468 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.585 3.915 3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.350 4.129 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.862 2.855 1.670 1.00 0.00 H new ATOM 993 N GLU A 66 78.775 10.159 2.698 1.00 0.00 N ATOM 994 CA GLU A 66 78.356 11.574 2.901 1.00 0.00 C ATOM 995 C GLU A 66 79.502 12.542 2.592 1.00 0.00 C ATOM 996 O GLU A 66 79.468 13.693 2.980 1.00 0.00 O ATOM 997 CB GLU A 66 77.980 11.656 4.381 1.00 0.00 C ATOM 998 CG GLU A 66 76.473 11.869 4.519 1.00 0.00 C ATOM 999 CD GLU A 66 76.193 13.326 4.894 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.721 13.770 5.901 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.455 13.972 4.168 1.00 0.00 O ATOM 0 H GLU A 66 79.505 9.829 3.329 1.00 0.00 H new ATOM 0 HA GLU A 66 77.534 11.851 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.276 10.740 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.518 12.475 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.973 11.621 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.070 11.203 5.281 1.00 0.00 H new ATOM 1008 N SER A 67 80.512 12.097 1.899 1.00 0.00 N ATOM 1009 CA SER A 67 81.643 13.023 1.581 1.00 0.00 C ATOM 1010 C SER A 67 82.742 12.340 0.781 1.00 0.00 C ATOM 1011 O SER A 67 82.714 11.155 0.514 1.00 0.00 O ATOM 1012 CB SER A 67 82.210 13.452 2.928 1.00 0.00 C ATOM 1013 OG SER A 67 82.512 12.296 3.699 1.00 0.00 O ATOM 0 H SER A 67 80.607 11.146 1.542 1.00 0.00 H new ATOM 0 HA SER A 67 81.284 13.856 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.109 14.052 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.491 14.078 3.456 1.00 0.00 H new ATOM 0 HG SER A 67 81.714 12.014 4.192 1.00 0.00 H new ATOM 1019 N ALA A 68 83.735 13.107 0.447 1.00 0.00 N ATOM 1020 CA ALA A 68 84.900 12.568 -0.292 1.00 0.00 C ATOM 1021 C ALA A 68 85.771 11.834 0.703 1.00 0.00 C ATOM 1022 O ALA A 68 86.544 10.958 0.370 1.00 0.00 O ATOM 1023 CB ALA A 68 85.628 13.806 -0.799 1.00 0.00 C ATOM 0 H ALA A 68 83.788 14.103 0.659 1.00 0.00 H new ATOM 0 HA ALA A 68 84.637 11.888 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.511 13.504 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.964 14.379 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.931 14.422 0.048 1.00 0.00 H new ATOM 1029 N GLU A 69 85.631 12.207 1.937 1.00 0.00 N ATOM 1030 CA GLU A 69 86.419 11.573 3.011 1.00 0.00 C ATOM 1031 C GLU A 69 85.792 10.227 3.368 1.00 0.00 C ATOM 1032 O GLU A 69 86.461 9.314 3.817 1.00 0.00 O ATOM 1033 CB GLU A 69 86.314 12.566 4.160 1.00 0.00 C ATOM 1034 CG GLU A 69 87.689 12.758 4.793 1.00 0.00 C ATOM 1035 CD GLU A 69 87.659 12.279 6.246 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.002 12.921 7.047 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.294 11.277 6.531 1.00 0.00 O ATOM 0 H GLU A 69 84.992 12.938 2.249 1.00 0.00 H new ATOM 0 HA GLU A 69 87.456 11.368 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.933 13.520 3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.606 12.203 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.439 12.201 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 69 87.975 13.809 4.752 1.00 0.00 H new ATOM 1044 N ASP A 70 84.515 10.086 3.135 1.00 0.00 N ATOM 1045 CA ASP A 70 83.848 8.794 3.422 1.00 0.00 C ATOM 1046 C ASP A 70 84.075 7.877 2.231 1.00 0.00 C ATOM 1047 O ASP A 70 84.129 6.670 2.353 1.00 0.00 O ATOM 1048 CB ASP A 70 82.362 9.129 3.561 1.00 0.00 C ATOM 1049 CG ASP A 70 82.142 10.002 4.795 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.943 9.915 5.711 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.173 10.745 4.802 1.00 0.00 O ATOM 0 H ASP A 70 83.908 10.814 2.758 1.00 0.00 H new ATOM 0 HA ASP A 70 84.224 8.301 4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.012 9.649 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 70 81.779 8.212 3.644 1.00 0.00 H new ATOM 1056 N LEU A 71 84.217 8.461 1.074 1.00 0.00 N ATOM 1057 CA LEU A 71 84.450 7.646 -0.141 1.00 0.00 C ATOM 1058 C LEU A 71 85.927 7.246 -0.223 1.00 0.00 C ATOM 1059 O LEU A 71 86.273 6.213 -0.762 1.00 0.00 O ATOM 1060 CB LEU A 71 84.069 8.557 -1.308 1.00 0.00 C ATOM 1061 CG LEU A 71 84.282 7.814 -2.627 1.00 0.00 C ATOM 1062 CD1 LEU A 71 82.932 7.586 -3.309 1.00 0.00 C ATOM 1063 CD2 LEU A 71 85.180 8.649 -3.542 1.00 0.00 C ATOM 0 H LEU A 71 84.181 9.469 0.921 1.00 0.00 H new ATOM 0 HA LEU A 71 83.869 6.724 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.028 8.866 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.674 9.464 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 71 84.756 6.852 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 71 83.084 7.056 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.291 6.992 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.457 8.547 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.333 8.120 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.705 9.610 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 71 86.142 8.812 -3.057 1.00 0.00 H new ATOM 1075 N GLU A 72 86.797 8.061 0.311 1.00 0.00 N ATOM 1076 CA GLU A 72 88.252 7.736 0.267 1.00 0.00 C ATOM 1077 C GLU A 72 88.605 6.722 1.360 1.00 0.00 C ATOM 1078 O GLU A 72 89.415 5.834 1.158 1.00 0.00 O ATOM 1079 CB GLU A 72 88.965 9.065 0.521 1.00 0.00 C ATOM 1080 CG GLU A 72 89.651 9.530 -0.764 1.00 0.00 C ATOM 1081 CD GLU A 72 90.051 10.999 -0.628 1.00 0.00 C ATOM 1082 OE1 GLU A 72 89.899 11.536 0.458 1.00 0.00 O ATOM 1083 OE2 GLU A 72 90.503 11.564 -1.610 1.00 0.00 O ATOM 0 H GLU A 72 86.563 8.938 0.776 1.00 0.00 H new ATOM 0 HA GLU A 72 88.544 7.291 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.249 9.816 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.701 8.949 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.532 8.919 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.980 9.402 -1.613 1.00 0.00 H new ATOM 1090 N LYS A 73 87.988 6.823 2.506 1.00 0.00 N ATOM 1091 CA LYS A 73 88.283 5.847 3.581 1.00 0.00 C ATOM 1092 C LYS A 73 87.533 4.574 3.251 1.00 0.00 C ATOM 1093 O LYS A 73 87.951 3.477 3.568 1.00 0.00 O ATOM 1094 CB LYS A 73 87.752 6.482 4.865 1.00 0.00 C ATOM 1095 CG LYS A 73 88.912 7.109 5.642 1.00 0.00 C ATOM 1096 CD LYS A 73 88.457 8.430 6.263 1.00 0.00 C ATOM 1097 CE LYS A 73 88.891 8.481 7.730 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.258 9.072 7.705 1.00 0.00 N ATOM 0 H LYS A 73 87.297 7.536 2.739 1.00 0.00 H new ATOM 0 HA LYS A 73 89.342 5.610 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.007 7.241 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.255 5.729 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.252 6.427 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.758 7.280 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 73 88.888 9.269 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 73 87.374 8.524 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 73 88.208 9.090 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.899 7.486 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.625 9.140 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.887 8.468 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.218 10.022 7.283 1.00 0.00 H new ATOM 1112 N ALA A 74 86.427 4.721 2.584 1.00 0.00 N ATOM 1113 CA ALA A 74 85.644 3.535 2.198 1.00 0.00 C ATOM 1114 C ALA A 74 86.370 2.807 1.069 1.00 0.00 C ATOM 1115 O ALA A 74 86.270 1.605 0.921 1.00 0.00 O ATOM 1116 CB ALA A 74 84.298 4.071 1.728 1.00 0.00 C ATOM 0 H ALA A 74 86.036 5.616 2.292 1.00 0.00 H new ATOM 0 HA ALA A 74 85.515 2.826 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.661 3.240 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.819 4.616 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.449 4.741 0.881 1.00 0.00 H new ATOM 1122 N LEU A 75 87.128 3.531 0.288 1.00 0.00 N ATOM 1123 CA LEU A 75 87.890 2.886 -0.811 1.00 0.00 C ATOM 1124 C LEU A 75 89.008 2.064 -0.189 1.00 0.00 C ATOM 1125 O LEU A 75 89.252 0.934 -0.566 1.00 0.00 O ATOM 1126 CB LEU A 75 88.455 4.040 -1.641 1.00 0.00 C ATOM 1127 CG LEU A 75 89.440 3.491 -2.675 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.262 4.239 -3.997 1.00 0.00 C ATOM 1129 CD2 LEU A 75 90.871 3.685 -2.167 1.00 0.00 C ATOM 0 H LEU A 75 87.250 4.541 0.367 1.00 0.00 H new ATOM 0 HA LEU A 75 87.286 2.224 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.646 4.573 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.956 4.758 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 75 89.250 2.429 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 75 89.964 3.848 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.243 4.102 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.452 5.301 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 75 91.574 3.294 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.061 4.747 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 75 90.998 3.152 -1.225 1.00 0.00 H new ATOM 1141 N GLU A 76 89.673 2.617 0.789 1.00 0.00 N ATOM 1142 CA GLU A 76 90.754 1.857 1.463 1.00 0.00 C ATOM 1143 C GLU A 76 90.129 0.795 2.368 1.00 0.00 C ATOM 1144 O GLU A 76 90.791 -0.109 2.837 1.00 0.00 O ATOM 1145 CB GLU A 76 91.505 2.888 2.299 1.00 0.00 C ATOM 1146 CG GLU A 76 92.894 3.120 1.703 1.00 0.00 C ATOM 1147 CD GLU A 76 93.954 2.532 2.636 1.00 0.00 C ATOM 1148 OE1 GLU A 76 94.099 1.321 2.647 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.604 3.303 3.323 1.00 0.00 O ATOM 0 H GLU A 76 89.512 3.559 1.146 1.00 0.00 H new ATOM 0 HA GLU A 76 91.415 1.351 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.948 3.825 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.593 2.541 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 76 92.962 2.655 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.068 4.187 1.564 1.00 0.00 H new ATOM 1156 N LEU A 77 88.848 0.905 2.612 1.00 0.00 N ATOM 1157 CA LEU A 77 88.159 -0.090 3.483 1.00 0.00 C ATOM 1158 C LEU A 77 88.001 -1.430 2.755 1.00 0.00 C ATOM 1159 O LEU A 77 87.385 -2.346 3.259 1.00 0.00 O ATOM 1160 CB LEU A 77 86.786 0.521 3.772 1.00 0.00 C ATOM 1161 CG LEU A 77 86.644 0.805 5.269 1.00 0.00 C ATOM 1162 CD1 LEU A 77 87.117 -0.406 6.074 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.487 2.027 5.637 1.00 0.00 C ATOM 0 H LEU A 77 88.249 1.644 2.244 1.00 0.00 H new ATOM 0 HA LEU A 77 88.722 -0.292 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.663 1.444 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.000 -0.160 3.447 1.00 0.00 H new ATOM 0 HG LEU A 77 85.597 1.001 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 77 87.014 -0.198 7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.512 -1.275 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 77 88.163 -0.610 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.387 2.230 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.533 1.832 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.143 2.891 5.069 1.00 0.00 H new ATOM 1175 N THR A 78 88.551 -1.558 1.573 1.00 0.00 N ATOM 1176 CA THR A 78 88.422 -2.844 0.833 1.00 0.00 C ATOM 1177 C THR A 78 89.170 -3.957 1.559 1.00 0.00 C ATOM 1178 O THR A 78 89.101 -5.114 1.194 1.00 0.00 O ATOM 1179 CB THR A 78 89.032 -2.585 -0.545 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.545 -1.349 -1.051 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.646 -3.717 -1.498 1.00 0.00 C ATOM 0 H THR A 78 89.080 -0.830 1.093 1.00 0.00 H new ATOM 0 HA THR A 78 87.384 -3.166 0.757 1.00 0.00 H new ATOM 0 HB THR A 78 90.118 -2.541 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.207 -0.645 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.082 -3.531 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.020 -4.664 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.561 -3.764 -1.586 1.00 0.00 H new ATOM 1189 N GLY A 79 89.869 -3.615 2.594 1.00 0.00 N ATOM 1190 CA GLY A 79 90.613 -4.646 3.369 1.00 0.00 C ATOM 1191 C GLY A 79 89.708 -5.190 4.477 1.00 0.00 C ATOM 1192 O GLY A 79 90.163 -5.552 5.544 1.00 0.00 O ATOM 0 H GLY A 79 89.961 -2.661 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.930 -5.455 2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.516 -4.214 3.800 1.00 0.00 H new ATOM 1196 N LEU A 80 88.424 -5.244 4.232 1.00 0.00 N ATOM 1197 CA LEU A 80 87.482 -5.757 5.267 1.00 0.00 C ATOM 1198 C LEU A 80 86.828 -7.054 4.787 1.00 0.00 C ATOM 1199 O LEU A 80 86.342 -7.145 3.680 1.00 0.00 O ATOM 1200 CB LEU A 80 86.454 -4.628 5.438 1.00 0.00 C ATOM 1201 CG LEU A 80 85.043 -5.198 5.625 1.00 0.00 C ATOM 1202 CD1 LEU A 80 84.976 -5.983 6.936 1.00 0.00 C ATOM 1203 CD2 LEU A 80 84.029 -4.052 5.662 1.00 0.00 C ATOM 0 H LEU A 80 87.988 -4.954 3.357 1.00 0.00 H new ATOM 0 HA LEU A 80 87.971 -6.000 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.720 -4.015 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.475 -3.976 4.565 1.00 0.00 H new ATOM 0 HG LEU A 80 84.809 -5.863 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 80 83.972 -6.387 7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.696 -6.801 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 80 85.212 -5.321 7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 80 83.026 -4.458 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 80 84.264 -3.385 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 80 84.074 -3.496 4.726 1.00 0.00 H new ATOM 1215 N LYS A 81 86.806 -8.047 5.628 1.00 0.00 N ATOM 1216 CA LYS A 81 86.180 -9.347 5.252 1.00 0.00 C ATOM 1217 C LYS A 81 84.845 -9.493 5.937 1.00 0.00 C ATOM 1218 O LYS A 81 84.689 -10.183 6.924 1.00 0.00 O ATOM 1219 CB LYS A 81 87.115 -10.397 5.762 1.00 0.00 C ATOM 1220 CG LYS A 81 87.774 -11.125 4.592 1.00 0.00 C ATOM 1221 CD LYS A 81 89.103 -11.728 5.048 1.00 0.00 C ATOM 1222 CE LYS A 81 90.259 -10.857 4.548 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.472 -11.407 5.214 1.00 0.00 N ATOM 0 H LYS A 81 87.198 -8.015 6.569 1.00 0.00 H new ATOM 0 HA LYS A 81 86.016 -9.422 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.878 -9.941 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.571 -11.108 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.115 -11.910 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.941 -10.433 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.129 -11.796 6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.205 -12.742 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.349 -10.905 3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.106 -9.810 4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 92.307 -10.861 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 91.361 -11.342 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.596 -12.403 4.941 1.00 0.00 H new ATOM 1237 N VAL A 82 83.896 -8.841 5.404 1.00 0.00 N ATOM 1238 CA VAL A 82 82.521 -8.897 5.983 1.00 0.00 C ATOM 1239 C VAL A 82 82.127 -10.353 6.240 1.00 0.00 C ATOM 1240 O VAL A 82 82.292 -11.211 5.397 1.00 0.00 O ATOM 1241 CB VAL A 82 81.610 -8.267 4.934 1.00 0.00 C ATOM 1242 CG1 VAL A 82 80.178 -8.212 5.471 1.00 0.00 C ATOM 1243 CG2 VAL A 82 82.095 -6.847 4.631 1.00 0.00 C ATOM 0 H VAL A 82 83.991 -8.253 4.576 1.00 0.00 H new ATOM 0 HA VAL A 82 82.451 -8.371 6.935 1.00 0.00 H new ATOM 0 HB VAL A 82 81.634 -8.864 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.526 -7.762 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 82 79.833 -9.222 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.153 -7.613 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.447 -6.393 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 82 82.068 -6.251 5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 82 83.116 -6.884 4.252 1.00 0.00 H new ATOM 1253 N PHE A 83 81.611 -10.634 7.404 1.00 0.00 N ATOM 1254 CA PHE A 83 81.207 -12.032 7.731 1.00 0.00 C ATOM 1255 C PHE A 83 82.242 -13.037 7.207 1.00 0.00 C ATOM 1256 O PHE A 83 81.927 -14.182 6.947 1.00 0.00 O ATOM 1257 CB PHE A 83 79.862 -12.229 7.035 1.00 0.00 C ATOM 1258 CG PHE A 83 78.749 -12.016 8.033 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.356 -13.062 8.878 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.112 -10.772 8.115 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.327 -12.862 9.805 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.082 -10.574 9.043 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.690 -11.619 9.888 1.00 0.00 C ATOM 0 H PHE A 83 81.451 -9.953 8.147 1.00 0.00 H new ATOM 0 HA PHE A 83 81.139 -12.194 8.807 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.762 -11.528 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.801 -13.232 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.847 -14.022 8.814 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.415 -9.966 7.463 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.024 -13.668 10.457 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.590 -9.615 9.107 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.896 -11.466 10.604 1.00 0.00 H new ATOM 1273 N GLY A 84 83.474 -12.625 7.057 1.00 0.00 N ATOM 1274 CA GLY A 84 84.516 -13.569 6.560 1.00 0.00 C ATOM 1275 C GLY A 84 84.529 -13.571 5.030 1.00 0.00 C ATOM 1276 O GLY A 84 84.875 -14.554 4.406 1.00 0.00 O ATOM 0 H GLY A 84 83.802 -11.680 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.495 -13.277 6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.316 -14.574 6.932 1.00 0.00 H new ATOM 1280 N ASN A 85 84.159 -12.479 4.420 1.00 0.00 N ATOM 1281 CA ASN A 85 84.157 -12.426 2.930 1.00 0.00 C ATOM 1282 C ASN A 85 84.596 -11.042 2.448 1.00 0.00 C ATOM 1283 O ASN A 85 83.793 -10.145 2.290 1.00 0.00 O ATOM 1284 CB ASN A 85 82.711 -12.705 2.521 1.00 0.00 C ATOM 1285 CG ASN A 85 82.319 -14.115 2.968 1.00 0.00 C ATOM 1286 OD1 ASN A 85 83.119 -15.027 2.912 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.112 -14.333 3.413 1.00 0.00 N ATOM 0 H ASN A 85 83.859 -11.623 4.887 1.00 0.00 H new ATOM 0 HA ASN A 85 84.848 -13.147 2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.045 -11.970 2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.603 -12.611 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 85 80.841 -15.269 3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 85 80.440 -13.567 3.460 1.00 0.00 H new ATOM 1294 N GLU A 86 85.867 -10.865 2.211 1.00 0.00 N ATOM 1295 CA GLU A 86 86.365 -9.543 1.735 1.00 0.00 C ATOM 1296 C GLU A 86 85.421 -8.974 0.680 1.00 0.00 C ATOM 1297 O GLU A 86 85.521 -9.274 -0.493 1.00 0.00 O ATOM 1298 CB GLU A 86 87.741 -9.840 1.150 1.00 0.00 C ATOM 1299 CG GLU A 86 88.138 -8.750 0.150 1.00 0.00 C ATOM 1300 CD GLU A 86 89.644 -8.814 -0.106 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.281 -9.703 0.437 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.136 -7.975 -0.843 1.00 0.00 O ATOM 0 H GLU A 86 86.584 -11.581 2.327 1.00 0.00 H new ATOM 0 HA GLU A 86 86.418 -8.798 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.480 -9.896 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.732 -10.811 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.594 -8.884 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.866 -7.769 0.539 1.00 0.00 H new ATOM 1309 N ILE A 87 84.500 -8.155 1.096 1.00 0.00 N ATOM 1310 CA ILE A 87 83.537 -7.561 0.125 1.00 0.00 C ATOM 1311 C ILE A 87 84.245 -6.577 -0.804 1.00 0.00 C ATOM 1312 O ILE A 87 84.886 -5.643 -0.366 1.00 0.00 O ATOM 1313 CB ILE A 87 82.502 -6.827 0.976 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.178 -5.673 1.722 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.891 -7.795 1.984 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.893 -4.357 0.996 1.00 0.00 C ATOM 0 H ILE A 87 84.370 -7.869 2.067 1.00 0.00 H new ATOM 0 HA ILE A 87 83.083 -8.325 -0.506 1.00 0.00 H new ATOM 0 HB ILE A 87 81.717 -6.432 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 87 82.809 -5.623 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.253 -5.843 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.153 -7.271 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.408 -8.616 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.675 -8.192 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.375 -3.536 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.284 -4.410 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.817 -4.186 0.962 1.00 0.00 H new ATOM 1328 N LYS A 88 84.112 -6.765 -2.086 1.00 0.00 N ATOM 1329 CA LYS A 88 84.753 -5.822 -3.045 1.00 0.00 C ATOM 1330 C LYS A 88 83.825 -4.628 -3.227 1.00 0.00 C ATOM 1331 O LYS A 88 82.697 -4.771 -3.653 1.00 0.00 O ATOM 1332 CB LYS A 88 84.900 -6.581 -4.363 1.00 0.00 C ATOM 1333 CG LYS A 88 85.199 -8.059 -4.096 1.00 0.00 C ATOM 1334 CD LYS A 88 85.792 -8.696 -5.356 1.00 0.00 C ATOM 1335 CE LYS A 88 85.276 -10.131 -5.493 1.00 0.00 C ATOM 1336 NZ LYS A 88 84.640 -10.183 -6.839 1.00 0.00 N ATOM 0 H LYS A 88 83.588 -7.530 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 88 85.723 -5.467 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.985 -6.488 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.703 -6.142 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.897 -8.155 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.286 -8.579 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 88 85.516 -8.114 -6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 88 86.881 -8.693 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.089 -10.853 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 88 84.559 -10.370 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 84.261 -11.137 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 83.866 -9.490 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 85.348 -9.958 -7.567 1.00 0.00 H new ATOM 1350 N LEU A 89 84.268 -3.461 -2.882 1.00 0.00 N ATOM 1351 CA LEU A 89 83.384 -2.277 -3.006 1.00 0.00 C ATOM 1352 C LEU A 89 83.780 -1.389 -4.182 1.00 0.00 C ATOM 1353 O LEU A 89 84.610 -1.740 -4.993 1.00 0.00 O ATOM 1354 CB LEU A 89 83.558 -1.524 -1.689 1.00 0.00 C ATOM 1355 CG LEU A 89 85.045 -1.367 -1.372 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.320 0.065 -0.907 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.432 -2.346 -0.263 1.00 0.00 C ATOM 0 H LEU A 89 85.203 -3.273 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 89 82.351 -2.572 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.086 -0.544 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.060 -2.063 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 89 85.633 -1.577 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.380 0.177 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.042 0.764 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.734 0.276 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.492 -2.236 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.845 -2.134 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.236 -3.366 -0.593 1.00 0.00 H new ATOM 1369 N GLU A 90 83.166 -0.236 -4.253 1.00 0.00 N ATOM 1370 CA GLU A 90 83.447 0.752 -5.348 1.00 0.00 C ATOM 1371 C GLU A 90 82.745 0.362 -6.641 1.00 0.00 C ATOM 1372 O GLU A 90 82.120 -0.663 -6.727 1.00 0.00 O ATOM 1373 CB GLU A 90 84.948 0.726 -5.587 1.00 0.00 C ATOM 1374 CG GLU A 90 85.705 0.783 -4.256 1.00 0.00 C ATOM 1375 CD GLU A 90 86.953 -0.097 -4.342 1.00 0.00 C ATOM 1376 OE1 GLU A 90 87.976 0.402 -4.782 1.00 0.00 O ATOM 1377 OE2 GLU A 90 86.865 -1.253 -3.965 1.00 0.00 O ATOM 0 H GLU A 90 82.463 0.073 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 90 83.088 1.738 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 90 85.220 -0.180 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 90 85.237 1.570 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 90 85.987 1.811 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 90 85.062 0.442 -3.445 1.00 0.00 H new