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 -141:sc= -3.12! USER MOD Set 1.2: A 19 ASN : amide:sc= -9.89! C(o=-13!,f=-5.2!) USER MOD Single : A 15 THR OG1 : rot 34:sc= 0.0012 USER MOD Single : A 24 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.4!) USER MOD Single : A 26 ASN : amide:sc= -2.02! C(o=-2!,f=-3.3!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -122:sc= -0.735 (180deg=-1.17) USER MOD Single : A 39 SER OG : rot 88:sc= 1.14 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.48) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 150:sc= -0.463! USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.81! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.4! C(o=-2.4!,f=-4.7!) USER MOD Single : A 88 LYS NZ :NH3+ -157:sc= 0.945 (180deg=0.589) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.869 9.678 -3.121 1.00 0.00 N ATOM 191 CA THR A 15 70.750 9.717 -1.635 1.00 0.00 C ATOM 192 C THR A 15 72.063 10.200 -1.013 1.00 0.00 C ATOM 193 O THR A 15 72.176 10.343 0.188 1.00 0.00 O ATOM 194 CB THR A 15 70.458 8.273 -1.223 1.00 0.00 C ATOM 195 OG1 THR A 15 69.107 7.959 -1.526 1.00 0.00 O ATOM 196 CG2 THR A 15 70.696 8.110 0.280 1.00 0.00 C ATOM 0 HA THR A 15 69.970 10.401 -1.300 1.00 0.00 H new ATOM 0 HB THR A 15 71.119 7.600 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.835 8.434 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.487 7.081 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.734 8.350 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 15 70.037 8.783 0.828 1.00 0.00 H new ATOM 204 N THR A 16 73.057 10.451 -1.821 1.00 0.00 N ATOM 205 CA THR A 16 74.361 10.923 -1.270 1.00 0.00 C ATOM 206 C THR A 16 75.358 11.177 -2.403 1.00 0.00 C ATOM 207 O THR A 16 75.152 10.752 -3.522 1.00 0.00 O ATOM 208 CB THR A 16 74.852 9.788 -0.371 1.00 0.00 C ATOM 209 OG1 THR A 16 74.066 8.625 -0.598 1.00 0.00 O ATOM 210 CG2 THR A 16 74.731 10.210 1.092 1.00 0.00 C ATOM 0 H THR A 16 73.024 10.350 -2.835 1.00 0.00 H new ATOM 0 HA THR A 16 74.257 11.860 -0.723 1.00 0.00 H new ATOM 0 HB THR A 16 75.895 9.568 -0.601 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.903 8.169 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.081 9.402 1.734 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.337 11.099 1.266 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.689 10.431 1.322 1.00 0.00 H new ATOM 218 N PRO A 17 76.411 11.870 -2.066 1.00 0.00 N ATOM 219 CA PRO A 17 77.462 12.194 -3.060 1.00 0.00 C ATOM 220 C PRO A 17 78.326 10.965 -3.352 1.00 0.00 C ATOM 221 O PRO A 17 78.645 10.677 -4.489 1.00 0.00 O ATOM 222 CB PRO A 17 78.283 13.279 -2.369 1.00 0.00 C ATOM 223 CG PRO A 17 78.068 13.060 -0.904 1.00 0.00 C ATOM 224 CD PRO A 17 76.716 12.414 -0.739 1.00 0.00 C ATOM 0 HA PRO A 17 77.057 12.514 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 17 79.339 13.199 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.955 14.274 -2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.851 12.423 -0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 17 78.110 14.006 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.740 11.629 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.965 13.138 -0.423 1.00 0.00 H new ATOM 232 N PHE A 18 78.717 10.241 -2.337 1.00 0.00 N ATOM 233 CA PHE A 18 79.568 9.038 -2.567 1.00 0.00 C ATOM 234 C PHE A 18 78.707 7.771 -2.622 1.00 0.00 C ATOM 235 O PHE A 18 78.224 7.293 -1.615 1.00 0.00 O ATOM 236 CB PHE A 18 80.516 8.993 -1.370 1.00 0.00 C ATOM 237 CG PHE A 18 81.305 10.279 -1.309 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.427 10.451 -2.128 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.915 11.298 -0.432 1.00 0.00 C ATOM 240 CE1 PHE A 18 83.158 11.644 -2.071 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.648 12.490 -0.375 1.00 0.00 C ATOM 242 CZ PHE A 18 82.769 12.663 -1.195 1.00 0.00 C ATOM 0 H PHE A 18 78.485 10.430 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 18 80.105 9.090 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.950 8.856 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 18 81.192 8.142 -1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.729 9.664 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.050 11.165 0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 18 84.023 11.778 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.348 13.276 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.333 13.583 -1.151 1.00 0.00 H new ATOM 252 N ASN A 19 78.520 7.222 -3.792 1.00 0.00 N ATOM 253 CA ASN A 19 77.700 5.985 -3.920 1.00 0.00 C ATOM 254 C ASN A 19 78.405 4.999 -4.850 1.00 0.00 C ATOM 255 O ASN A 19 79.063 5.385 -5.796 1.00 0.00 O ATOM 256 CB ASN A 19 76.373 6.432 -4.537 1.00 0.00 C ATOM 257 CG ASN A 19 75.956 7.793 -3.973 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.540 8.666 -4.708 1.00 0.00 O ATOM 259 ND2 ASN A 19 76.050 8.010 -2.691 1.00 0.00 N ATOM 0 H ASN A 19 78.902 7.579 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 19 77.550 5.490 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.471 6.494 -5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.600 5.692 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 19 75.774 8.913 -2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 19 76.399 7.277 -2.074 1.00 0.00 H new ATOM 266 N LEU A 20 78.271 3.731 -4.596 1.00 0.00 N ATOM 267 CA LEU A 20 78.935 2.726 -5.476 1.00 0.00 C ATOM 268 C LEU A 20 78.350 1.330 -5.235 1.00 0.00 C ATOM 269 O LEU A 20 77.617 1.106 -4.293 1.00 0.00 O ATOM 270 CB LEU A 20 80.416 2.772 -5.088 1.00 0.00 C ATOM 271 CG LEU A 20 80.644 1.985 -3.795 1.00 0.00 C ATOM 272 CD1 LEU A 20 82.097 2.147 -3.346 1.00 0.00 C ATOM 273 CD2 LEU A 20 79.712 2.516 -2.704 1.00 0.00 C ATOM 0 H LEU A 20 77.733 3.344 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 20 78.787 2.945 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 20 81.024 2.353 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.733 3.806 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 20 80.435 0.930 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 20 82.258 1.586 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 20 82.762 1.769 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 20 82.308 3.202 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 20 79.874 1.956 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 20 79.921 3.571 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 20 78.676 2.400 -3.022 1.00 0.00 H new ATOM 285 N PHE A 21 78.676 0.391 -6.080 1.00 0.00 N ATOM 286 CA PHE A 21 78.149 -0.991 -5.903 1.00 0.00 C ATOM 287 C PHE A 21 79.230 -1.881 -5.288 1.00 0.00 C ATOM 288 O PHE A 21 80.405 -1.717 -5.552 1.00 0.00 O ATOM 289 CB PHE A 21 77.798 -1.461 -7.317 1.00 0.00 C ATOM 290 CG PHE A 21 77.649 -2.964 -7.331 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.942 -3.607 -6.308 1.00 0.00 C ATOM 292 CD2 PHE A 21 78.218 -3.713 -8.367 1.00 0.00 C ATOM 293 CE1 PHE A 21 76.804 -5.001 -6.322 1.00 0.00 C ATOM 294 CE2 PHE A 21 78.081 -5.107 -8.381 1.00 0.00 C ATOM 295 CZ PHE A 21 77.374 -5.750 -7.358 1.00 0.00 C ATOM 0 H PHE A 21 79.286 0.522 -6.887 1.00 0.00 H new ATOM 0 HA PHE A 21 77.286 -1.031 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 21 76.872 -0.991 -7.648 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.577 -1.156 -8.016 1.00 0.00 H new ATOM 0 HD1 PHE A 21 76.503 -3.029 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 21 78.763 -3.216 -9.156 1.00 0.00 H new ATOM 0 HE1 PHE A 21 76.258 -5.498 -5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 21 78.520 -5.685 -9.180 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.268 -6.825 -7.368 1.00 0.00 H new ATOM 305 N ILE A 22 78.848 -2.822 -4.470 1.00 0.00 N ATOM 306 CA ILE A 22 79.863 -3.712 -3.845 1.00 0.00 C ATOM 307 C ILE A 22 79.490 -5.180 -4.071 1.00 0.00 C ATOM 308 O ILE A 22 78.351 -5.510 -4.328 1.00 0.00 O ATOM 309 CB ILE A 22 79.842 -3.343 -2.353 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.834 -2.205 -2.102 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.237 -4.551 -1.498 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.189 -1.157 -1.194 1.00 0.00 C ATOM 0 H ILE A 22 77.881 -3.012 -4.209 1.00 0.00 H new ATOM 0 HA ILE A 22 80.858 -3.585 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 22 78.834 -3.031 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.741 -2.594 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 22 81.129 -1.750 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.217 -4.273 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.534 -5.365 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.242 -4.875 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.895 -0.346 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.295 -0.760 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 22 79.916 -1.617 -0.244 1.00 0.00 H new ATOM 324 N GLY A 23 80.448 -6.059 -3.979 1.00 0.00 N ATOM 325 CA GLY A 23 80.158 -7.504 -4.189 1.00 0.00 C ATOM 326 C GLY A 23 80.838 -8.331 -3.097 1.00 0.00 C ATOM 327 O GLY A 23 81.503 -7.804 -2.228 1.00 0.00 O ATOM 0 H GLY A 23 81.421 -5.838 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.082 -7.675 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.514 -7.817 -5.170 1.00 0.00 H new ATOM 331 N ASN A 24 80.676 -9.627 -3.139 1.00 0.00 N ATOM 332 CA ASN A 24 81.312 -10.502 -2.107 1.00 0.00 C ATOM 333 C ASN A 24 80.612 -10.332 -0.756 1.00 0.00 C ATOM 334 O ASN A 24 81.114 -9.681 0.138 1.00 0.00 O ATOM 335 CB ASN A 24 82.767 -10.036 -2.021 1.00 0.00 C ATOM 336 CG ASN A 24 83.635 -11.171 -1.475 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.413 -12.325 -1.789 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.620 -10.893 -0.666 1.00 0.00 N ATOM 0 H ASN A 24 80.129 -10.120 -3.845 1.00 0.00 H new ATOM 0 HA ASN A 24 81.240 -11.558 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.122 -9.734 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.843 -9.162 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.204 -11.643 -0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.806 -9.925 -0.403 1.00 0.00 H new ATOM 345 N LEU A 25 79.458 -10.920 -0.600 1.00 0.00 N ATOM 346 CA LEU A 25 78.726 -10.802 0.694 1.00 0.00 C ATOM 347 C LEU A 25 78.540 -12.183 1.317 1.00 0.00 C ATOM 348 O LEU A 25 78.032 -13.096 0.697 1.00 0.00 O ATOM 349 CB LEU A 25 77.372 -10.190 0.337 1.00 0.00 C ATOM 350 CG LEU A 25 77.512 -8.673 0.206 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.885 -8.075 1.564 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.606 -8.345 -0.812 1.00 0.00 C ATOM 0 H LEU A 25 78.989 -11.478 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 25 79.266 -10.192 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.006 -10.613 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.638 -10.432 1.106 1.00 0.00 H new ATOM 0 HG LEU A 25 76.565 -8.251 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.985 -6.994 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.105 -8.306 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.831 -8.499 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.705 -7.263 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.553 -8.769 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.341 -8.769 -1.780 1.00 0.00 H new ATOM 364 N ASN A 26 78.951 -12.336 2.542 1.00 0.00 N ATOM 365 CA ASN A 26 78.809 -13.649 3.228 1.00 0.00 C ATOM 366 C ASN A 26 77.458 -14.287 2.892 1.00 0.00 C ATOM 367 O ASN A 26 76.443 -13.927 3.457 1.00 0.00 O ATOM 368 CB ASN A 26 78.890 -13.311 4.715 1.00 0.00 C ATOM 369 CG ASN A 26 79.267 -14.564 5.508 1.00 0.00 C ATOM 370 OD1 ASN A 26 79.793 -15.510 4.956 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.019 -14.610 6.787 1.00 0.00 N ATOM 0 H ASN A 26 79.383 -11.602 3.103 1.00 0.00 H new ATOM 0 HA ASN A 26 79.573 -14.364 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.630 -12.528 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.932 -12.923 5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.267 -15.440 7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.577 -13.815 7.250 1.00 0.00 H new ATOM 378 N PRO A 27 77.493 -15.216 1.976 1.00 0.00 N ATOM 379 CA PRO A 27 76.256 -15.915 1.552 1.00 0.00 C ATOM 380 C PRO A 27 75.829 -16.936 2.612 1.00 0.00 C ATOM 381 O PRO A 27 74.724 -17.440 2.591 1.00 0.00 O ATOM 382 CB PRO A 27 76.669 -16.617 0.261 1.00 0.00 C ATOM 383 CG PRO A 27 78.151 -16.796 0.369 1.00 0.00 C ATOM 384 CD PRO A 27 78.677 -15.696 1.255 1.00 0.00 C ATOM 0 HA PRO A 27 75.408 -15.243 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 27 76.163 -17.577 0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.407 -16.021 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.390 -17.773 0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.616 -16.750 -0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.438 -16.067 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 27 79.137 -14.899 0.670 1.00 0.00 H new ATOM 392 N ASN A 28 76.698 -17.245 3.537 1.00 0.00 N ATOM 393 CA ASN A 28 76.340 -18.233 4.595 1.00 0.00 C ATOM 394 C ASN A 28 75.542 -17.547 5.704 1.00 0.00 C ATOM 395 O ASN A 28 74.868 -18.186 6.487 1.00 0.00 O ATOM 396 CB ASN A 28 77.677 -18.744 5.131 1.00 0.00 C ATOM 397 CG ASN A 28 77.898 -20.184 4.663 1.00 0.00 C ATOM 398 OD1 ASN A 28 77.628 -21.120 5.391 1.00 0.00 O ATOM 399 ND2 ASN A 28 78.381 -20.404 3.471 1.00 0.00 N ATOM 0 H ASN A 28 77.639 -16.857 3.606 1.00 0.00 H new ATOM 0 HA ASN A 28 75.721 -19.044 4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 28 78.489 -18.107 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.685 -18.699 6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.532 -21.360 3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 28 78.608 -19.619 2.860 1.00 0.00 H new ATOM 406 N LYS A 29 75.612 -16.248 5.771 1.00 0.00 N ATOM 407 CA LYS A 29 74.859 -15.511 6.820 1.00 0.00 C ATOM 408 C LYS A 29 73.686 -14.763 6.185 1.00 0.00 C ATOM 409 O LYS A 29 73.211 -15.120 5.126 1.00 0.00 O ATOM 410 CB LYS A 29 75.870 -14.529 7.412 1.00 0.00 C ATOM 411 CG LYS A 29 76.190 -14.935 8.852 1.00 0.00 C ATOM 412 CD LYS A 29 75.131 -14.359 9.792 1.00 0.00 C ATOM 413 CE LYS A 29 75.415 -14.816 11.224 1.00 0.00 C ATOM 414 NZ LYS A 29 74.205 -15.584 11.631 1.00 0.00 N ATOM 0 H LYS A 29 76.161 -15.663 5.141 1.00 0.00 H new ATOM 0 HA LYS A 29 74.443 -16.171 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.781 -14.523 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.467 -13.517 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.215 -16.021 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.178 -14.570 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 29 75.136 -13.270 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.139 -14.688 9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.310 -15.436 11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.583 -13.965 11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.325 -15.931 12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 73.370 -14.966 11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.075 -16.392 10.989 1.00 0.00 H new ATOM 428 N SER A 30 73.215 -13.729 6.822 1.00 0.00 N ATOM 429 CA SER A 30 72.073 -12.963 6.247 1.00 0.00 C ATOM 430 C SER A 30 72.574 -11.682 5.587 1.00 0.00 C ATOM 431 O SER A 30 73.535 -11.078 6.026 1.00 0.00 O ATOM 432 CB SER A 30 71.179 -12.622 7.432 1.00 0.00 C ATOM 433 OG SER A 30 71.153 -13.719 8.336 1.00 0.00 O ATOM 0 H SER A 30 73.569 -13.381 7.713 1.00 0.00 H new ATOM 0 HA SER A 30 71.544 -13.536 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.550 -11.730 7.936 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.170 -12.397 7.087 1.00 0.00 H new ATOM 0 HG SER A 30 70.579 -13.500 9.100 1.00 0.00 H new ATOM 439 N VAL A 31 71.927 -11.255 4.542 1.00 0.00 N ATOM 440 CA VAL A 31 72.369 -10.006 3.868 1.00 0.00 C ATOM 441 C VAL A 31 72.074 -8.807 4.771 1.00 0.00 C ATOM 442 O VAL A 31 72.799 -7.832 4.780 1.00 0.00 O ATOM 443 CB VAL A 31 71.559 -9.932 2.574 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.222 -8.941 1.614 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.515 -11.316 1.920 1.00 0.00 C ATOM 0 H VAL A 31 71.116 -11.713 4.127 1.00 0.00 H new ATOM 0 HA VAL A 31 73.439 -9.998 3.661 1.00 0.00 H new ATOM 0 HB VAL A 31 70.545 -9.601 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.645 -8.887 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.258 -7.955 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.235 -9.274 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.937 -11.264 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.530 -11.645 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.046 -12.026 2.602 1.00 0.00 H new ATOM 455 N ALA A 32 71.025 -8.881 5.545 1.00 0.00 N ATOM 456 CA ALA A 32 70.702 -7.753 6.461 1.00 0.00 C ATOM 457 C ALA A 32 71.821 -7.607 7.492 1.00 0.00 C ATOM 458 O ALA A 32 72.192 -6.516 7.878 1.00 0.00 O ATOM 459 CB ALA A 32 69.390 -8.150 7.138 1.00 0.00 C ATOM 0 H ALA A 32 70.381 -9.671 5.582 1.00 0.00 H new ATOM 0 HA ALA A 32 70.608 -6.799 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.086 -7.365 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.617 -8.286 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.530 -9.082 7.685 1.00 0.00 H new ATOM 465 N GLU A 33 72.371 -8.707 7.925 1.00 0.00 N ATOM 466 CA GLU A 33 73.481 -8.649 8.916 1.00 0.00 C ATOM 467 C GLU A 33 74.715 -8.032 8.258 1.00 0.00 C ATOM 468 O GLU A 33 75.413 -7.232 8.850 1.00 0.00 O ATOM 469 CB GLU A 33 73.739 -10.104 9.311 1.00 0.00 C ATOM 470 CG GLU A 33 72.445 -10.725 9.841 1.00 0.00 C ATOM 471 CD GLU A 33 72.236 -10.303 11.297 1.00 0.00 C ATOM 472 OE1 GLU A 33 72.604 -9.189 11.629 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.711 -11.102 12.055 1.00 0.00 O ATOM 0 H GLU A 33 72.099 -9.646 7.634 1.00 0.00 H new ATOM 0 HA GLU A 33 73.241 -8.039 9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.100 -10.667 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.517 -10.153 10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.599 -10.404 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.495 -11.812 9.770 1.00 0.00 H new ATOM 480 N LEU A 34 74.977 -8.381 7.026 1.00 0.00 N ATOM 481 CA LEU A 34 76.141 -7.801 6.320 1.00 0.00 C ATOM 482 C LEU A 34 76.002 -6.285 6.316 1.00 0.00 C ATOM 483 O LEU A 34 76.963 -5.554 6.450 1.00 0.00 O ATOM 484 CB LEU A 34 76.038 -8.356 4.902 1.00 0.00 C ATOM 485 CG LEU A 34 76.350 -9.853 4.910 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.801 -10.496 3.636 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.863 -10.055 4.973 1.00 0.00 C ATOM 0 H LEU A 34 74.428 -9.046 6.482 1.00 0.00 H new ATOM 0 HA LEU A 34 77.099 -8.044 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.037 -8.186 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.733 -7.833 4.245 1.00 0.00 H new ATOM 0 HG LEU A 34 75.884 -10.318 5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.024 -11.563 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.722 -10.351 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.266 -10.033 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.088 -11.122 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.329 -9.591 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.254 -9.597 5.882 1.00 0.00 H new ATOM 499 N LYS A 35 74.795 -5.813 6.175 1.00 0.00 N ATOM 500 CA LYS A 35 74.565 -4.347 6.175 1.00 0.00 C ATOM 501 C LYS A 35 75.007 -3.768 7.520 1.00 0.00 C ATOM 502 O LYS A 35 75.868 -2.914 7.590 1.00 0.00 O ATOM 503 CB LYS A 35 73.058 -4.179 5.981 1.00 0.00 C ATOM 504 CG LYS A 35 72.790 -3.437 4.671 1.00 0.00 C ATOM 505 CD LYS A 35 72.415 -4.443 3.581 1.00 0.00 C ATOM 506 CE LYS A 35 73.629 -5.312 3.246 1.00 0.00 C ATOM 507 NZ LYS A 35 73.888 -5.070 1.799 1.00 0.00 N ATOM 0 H LYS A 35 73.957 -6.383 6.060 1.00 0.00 H new ATOM 0 HA LYS A 35 75.126 -3.830 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.572 -5.155 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.633 -3.625 6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 35 71.984 -2.716 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.674 -2.874 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.589 -5.069 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 35 72.074 -3.918 2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.491 -5.036 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.426 -6.365 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 73.845 -5.972 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 73.169 -4.421 1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 74.831 -4.648 1.681 1.00 0.00 H new ATOM 521 N VAL A 36 74.433 -4.245 8.591 1.00 0.00 N ATOM 522 CA VAL A 36 74.830 -3.744 9.937 1.00 0.00 C ATOM 523 C VAL A 36 76.318 -3.983 10.147 1.00 0.00 C ATOM 524 O VAL A 36 76.993 -3.205 10.781 1.00 0.00 O ATOM 525 CB VAL A 36 74.021 -4.575 10.923 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.124 -3.958 12.319 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.555 -4.612 10.487 1.00 0.00 C ATOM 0 H VAL A 36 73.706 -4.960 8.592 1.00 0.00 H new ATOM 0 HA VAL A 36 74.645 -2.677 10.058 1.00 0.00 H new ATOM 0 HB VAL A 36 74.416 -5.591 10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.544 -4.554 13.024 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.168 -3.939 12.632 1.00 0.00 H new ATOM 0 HG13 VAL A 36 73.733 -2.941 12.297 1.00 0.00 H new ATOM 0 HG21 VAL A 36 71.980 -5.208 11.196 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.158 -3.597 10.460 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.482 -5.057 9.495 1.00 0.00 H new ATOM 537 N ALA A 37 76.842 -5.049 9.609 1.00 0.00 N ATOM 538 CA ALA A 37 78.294 -5.312 9.775 1.00 0.00 C ATOM 539 C ALA A 37 79.071 -4.195 9.093 1.00 0.00 C ATOM 540 O ALA A 37 80.096 -3.755 9.568 1.00 0.00 O ATOM 541 CB ALA A 37 78.546 -6.654 9.084 1.00 0.00 C ATOM 0 H ALA A 37 76.330 -5.744 9.066 1.00 0.00 H new ATOM 0 HA ALA A 37 78.606 -5.347 10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.601 -6.913 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 37 77.944 -7.427 9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.272 -6.578 8.032 1.00 0.00 H new ATOM 547 N ILE A 38 78.571 -3.718 7.989 1.00 0.00 N ATOM 548 CA ILE A 38 79.261 -2.609 7.279 1.00 0.00 C ATOM 549 C ILE A 38 78.929 -1.286 7.969 1.00 0.00 C ATOM 550 O ILE A 38 79.691 -0.342 7.923 1.00 0.00 O ATOM 551 CB ILE A 38 78.704 -2.635 5.856 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.101 -3.947 5.177 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.274 -1.458 5.063 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.014 -4.359 4.182 1.00 0.00 C ATOM 0 H ILE A 38 77.713 -4.049 7.548 1.00 0.00 H new ATOM 0 HA ILE A 38 80.346 -2.715 7.281 1.00 0.00 H new ATOM 0 HB ILE A 38 77.617 -2.557 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.054 -3.828 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.239 -4.728 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.877 -1.477 4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 38 78.991 -0.523 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.361 -1.535 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.298 -5.294 3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.070 -4.496 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.898 -3.581 3.427 1.00 0.00 H new ATOM 566 N SER A 39 77.803 -1.212 8.627 1.00 0.00 N ATOM 567 CA SER A 39 77.451 0.053 9.331 1.00 0.00 C ATOM 568 C SER A 39 78.207 0.109 10.657 1.00 0.00 C ATOM 569 O SER A 39 78.563 1.162 11.150 1.00 0.00 O ATOM 570 CB SER A 39 75.944 -0.028 9.571 1.00 0.00 C ATOM 571 OG SER A 39 75.301 -0.466 8.381 1.00 0.00 O ATOM 0 H SER A 39 77.119 -1.964 8.707 1.00 0.00 H new ATOM 0 HA SER A 39 77.714 0.945 8.762 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.731 -0.717 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.559 0.947 9.868 1.00 0.00 H new ATOM 0 HG SER A 39 75.272 -1.445 8.367 1.00 0.00 H new ATOM 577 N GLU A 40 78.467 -1.034 11.223 1.00 0.00 N ATOM 578 CA GLU A 40 79.207 -1.088 12.507 1.00 0.00 C ATOM 579 C GLU A 40 80.703 -0.958 12.243 1.00 0.00 C ATOM 580 O GLU A 40 81.424 -0.315 12.979 1.00 0.00 O ATOM 581 CB GLU A 40 78.872 -2.460 13.075 1.00 0.00 C ATOM 582 CG GLU A 40 78.596 -2.342 14.575 1.00 0.00 C ATOM 583 CD GLU A 40 79.919 -2.362 15.342 1.00 0.00 C ATOM 584 OE1 GLU A 40 80.913 -1.930 14.782 1.00 0.00 O ATOM 585 OE2 GLU A 40 79.918 -2.809 16.477 1.00 0.00 O ATOM 0 H GLU A 40 78.195 -1.941 10.845 1.00 0.00 H new ATOM 0 HA GLU A 40 78.937 -0.285 13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.001 -2.872 12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.699 -3.149 12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.056 -1.418 14.784 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.960 -3.164 14.904 1.00 0.00 H new ATOM 592 N LEU A 41 81.171 -1.555 11.185 1.00 0.00 N ATOM 593 CA LEU A 41 82.618 -1.456 10.856 1.00 0.00 C ATOM 594 C LEU A 41 82.936 -0.034 10.413 1.00 0.00 C ATOM 595 O LEU A 41 84.020 0.471 10.630 1.00 0.00 O ATOM 596 CB LEU A 41 82.844 -2.441 9.706 1.00 0.00 C ATOM 597 CG LEU A 41 84.219 -3.093 9.856 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.403 -4.154 8.770 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.306 -2.026 9.715 1.00 0.00 C ATOM 0 H LEU A 41 80.614 -2.108 10.533 1.00 0.00 H new ATOM 0 HA LEU A 41 83.258 -1.688 11.708 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.066 -3.204 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.778 -1.922 8.750 1.00 0.00 H new ATOM 0 HG LEU A 41 84.293 -3.562 10.837 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.383 -4.618 8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.628 -4.914 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.329 -3.686 7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.287 -2.489 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.231 -1.558 8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.176 -1.270 10.489 1.00 0.00 H new ATOM 611 N PHE A 42 81.990 0.620 9.804 1.00 0.00 N ATOM 612 CA PHE A 42 82.218 2.009 9.356 1.00 0.00 C ATOM 613 C PHE A 42 81.984 2.953 10.534 1.00 0.00 C ATOM 614 O PHE A 42 82.502 4.051 10.582 1.00 0.00 O ATOM 615 CB PHE A 42 81.171 2.231 8.274 1.00 0.00 C ATOM 616 CG PHE A 42 81.616 1.580 6.984 1.00 0.00 C ATOM 617 CD1 PHE A 42 81.984 0.228 6.966 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.650 2.328 5.802 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.385 -0.372 5.769 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.054 1.727 4.605 1.00 0.00 C ATOM 621 CZ PHE A 42 82.420 0.377 4.589 1.00 0.00 C ATOM 0 H PHE A 42 81.064 0.245 9.598 1.00 0.00 H new ATOM 0 HA PHE A 42 83.228 2.188 8.987 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.215 1.814 8.590 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.018 3.299 8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 42 81.958 -0.351 7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.364 3.369 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 42 82.668 -1.414 5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.083 2.305 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 42 82.730 -0.087 3.664 1.00 0.00 H new ATOM 631 N ALA A 43 81.207 2.520 11.494 1.00 0.00 N ATOM 632 CA ALA A 43 80.940 3.379 12.682 1.00 0.00 C ATOM 633 C ALA A 43 82.169 3.387 13.590 1.00 0.00 C ATOM 634 O ALA A 43 82.466 4.365 14.247 1.00 0.00 O ATOM 635 CB ALA A 43 79.752 2.724 13.388 1.00 0.00 C ATOM 0 H ALA A 43 80.747 1.609 11.505 1.00 0.00 H new ATOM 0 HA ALA A 43 80.726 4.414 12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.494 3.300 14.276 1.00 0.00 H new ATOM 0 HB2 ALA A 43 78.897 2.697 12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.017 1.708 13.679 1.00 0.00 H new ATOM 641 N LYS A 44 82.892 2.302 13.620 1.00 0.00 N ATOM 642 CA LYS A 44 84.113 2.239 14.470 1.00 0.00 C ATOM 643 C LYS A 44 85.320 2.713 13.662 1.00 0.00 C ATOM 644 O LYS A 44 86.343 3.081 14.205 1.00 0.00 O ATOM 645 CB LYS A 44 84.261 0.764 14.846 1.00 0.00 C ATOM 646 CG LYS A 44 83.755 0.546 16.273 1.00 0.00 C ATOM 647 CD LYS A 44 82.323 1.070 16.393 1.00 0.00 C ATOM 648 CE LYS A 44 81.438 -0.002 17.029 1.00 0.00 C ATOM 649 NZ LYS A 44 81.597 0.188 18.497 1.00 0.00 N ATOM 0 H LYS A 44 82.689 1.454 13.091 1.00 0.00 H new ATOM 0 HA LYS A 44 84.044 2.873 15.354 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.697 0.142 14.150 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.305 0.462 14.769 1.00 0.00 H new ATOM 0 HG2 LYS A 44 83.788 -0.514 16.524 1.00 0.00 H new ATOM 0 HG3 LYS A 44 84.403 1.061 16.982 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.306 1.976 16.998 1.00 0.00 H new ATOM 0 HD3 LYS A 44 81.939 1.337 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 44 80.397 0.115 16.726 1.00 0.00 H new ATOM 0 HE3 LYS A 44 81.748 -1.002 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 81.018 -0.513 19.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 82.596 0.064 18.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 81.287 1.146 18.759 1.00 0.00 H new ATOM 663 N ASN A 45 85.202 2.713 12.362 1.00 0.00 N ATOM 664 CA ASN A 45 86.331 3.168 11.507 1.00 0.00 C ATOM 665 C ASN A 45 86.280 4.688 11.348 1.00 0.00 C ATOM 666 O ASN A 45 87.260 5.310 10.994 1.00 0.00 O ATOM 667 CB ASN A 45 86.106 2.478 10.163 1.00 0.00 C ATOM 668 CG ASN A 45 86.966 1.216 10.087 1.00 0.00 C ATOM 669 OD1 ASN A 45 87.765 1.064 9.183 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.838 0.298 11.005 1.00 0.00 N ATOM 0 H ASN A 45 84.368 2.416 11.855 1.00 0.00 H new ATOM 0 HA ASN A 45 87.305 2.923 11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.053 2.221 10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.362 3.155 9.348 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.408 -0.547 10.964 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.168 0.425 11.763 1.00 0.00 H new ATOM 677 N ASP A 46 85.124 5.272 11.590 1.00 0.00 N ATOM 678 CA ASP A 46 84.937 6.753 11.453 1.00 0.00 C ATOM 679 C ASP A 46 84.514 7.057 10.028 1.00 0.00 C ATOM 680 O ASP A 46 84.795 8.105 9.482 1.00 0.00 O ATOM 681 CB ASP A 46 86.275 7.422 11.791 1.00 0.00 C ATOM 682 CG ASP A 46 86.028 8.869 12.223 1.00 0.00 C ATOM 683 OD1 ASP A 46 84.918 9.339 12.041 1.00 0.00 O ATOM 684 OD2 ASP A 46 86.954 9.482 12.727 1.00 0.00 O ATOM 0 H ASP A 46 84.286 4.770 11.883 1.00 0.00 H new ATOM 0 HA ASP A 46 84.167 7.130 12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 46 86.776 6.874 12.589 1.00 0.00 H new ATOM 0 HB3 ASP A 46 86.935 7.398 10.924 1.00 0.00 H new ATOM 689 N LEU A 47 83.826 6.130 9.430 1.00 0.00 N ATOM 690 CA LEU A 47 83.353 6.324 8.041 1.00 0.00 C ATOM 691 C LEU A 47 82.091 7.192 8.051 1.00 0.00 C ATOM 692 O LEU A 47 81.999 8.161 8.779 1.00 0.00 O ATOM 693 CB LEU A 47 83.063 4.906 7.536 1.00 0.00 C ATOM 694 CG LEU A 47 83.651 4.734 6.134 1.00 0.00 C ATOM 695 CD1 LEU A 47 82.930 5.663 5.156 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.140 5.086 6.162 1.00 0.00 C ATOM 0 H LEU A 47 83.570 5.237 9.851 1.00 0.00 H new ATOM 0 HA LEU A 47 84.074 6.833 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.494 4.171 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 47 81.988 4.729 7.515 1.00 0.00 H new ATOM 0 HG LEU A 47 83.523 3.700 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 47 83.351 5.538 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 47 81.868 5.416 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 47 83.056 6.697 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.561 4.964 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.263 6.120 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.657 4.425 6.857 1.00 0.00 H new ATOM 708 N ALA A 48 81.122 6.853 7.258 1.00 0.00 N ATOM 709 CA ALA A 48 79.865 7.654 7.226 1.00 0.00 C ATOM 710 C ALA A 48 78.856 7.003 6.282 1.00 0.00 C ATOM 711 O ALA A 48 78.389 7.604 5.336 1.00 0.00 O ATOM 712 CB ALA A 48 80.277 9.033 6.711 1.00 0.00 C ATOM 0 H ALA A 48 81.142 6.053 6.626 1.00 0.00 H new ATOM 0 HA ALA A 48 79.391 7.718 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.401 9.679 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 48 81.011 9.470 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.713 8.935 5.717 1.00 0.00 H new ATOM 718 N VAL A 49 78.526 5.773 6.539 1.00 0.00 N ATOM 719 CA VAL A 49 77.562 5.056 5.683 1.00 0.00 C ATOM 720 C VAL A 49 76.193 5.723 5.735 1.00 0.00 C ATOM 721 O VAL A 49 75.549 5.793 6.762 1.00 0.00 O ATOM 722 CB VAL A 49 77.505 3.651 6.272 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.924 3.099 6.417 1.00 0.00 C ATOM 724 CG2 VAL A 49 76.835 3.703 7.647 1.00 0.00 C ATOM 0 H VAL A 49 78.892 5.229 7.320 1.00 0.00 H new ATOM 0 HA VAL A 49 77.858 5.054 4.634 1.00 0.00 H new ATOM 0 HB VAL A 49 76.930 3.003 5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.882 2.095 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.402 3.063 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.500 3.746 7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 49 76.793 2.699 8.070 1.00 0.00 H new ATOM 0 HG22 VAL A 49 77.410 4.351 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 49 75.823 4.096 7.544 1.00 0.00 H new ATOM 734 N VAL A 50 75.755 6.203 4.617 1.00 0.00 N ATOM 735 CA VAL A 50 74.419 6.872 4.539 1.00 0.00 C ATOM 736 C VAL A 50 73.392 5.871 4.012 1.00 0.00 C ATOM 737 O VAL A 50 72.240 5.885 4.397 1.00 0.00 O ATOM 738 CB VAL A 50 74.562 8.047 3.547 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.993 9.324 4.163 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.025 8.304 3.205 1.00 0.00 C ATOM 0 H VAL A 50 76.266 6.165 3.735 1.00 0.00 H new ATOM 0 HA VAL A 50 74.092 7.229 5.516 1.00 0.00 H new ATOM 0 HB VAL A 50 74.017 7.778 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 50 74.098 10.147 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.938 9.177 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.536 9.560 5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.094 9.137 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.574 8.548 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.455 7.411 2.751 1.00 0.00 H new ATOM 750 N ASP A 51 73.805 4.999 3.130 1.00 0.00 N ATOM 751 CA ASP A 51 72.851 3.994 2.576 1.00 0.00 C ATOM 752 C ASP A 51 73.562 2.659 2.324 1.00 0.00 C ATOM 753 O ASP A 51 74.734 2.618 2.012 1.00 0.00 O ATOM 754 CB ASP A 51 72.363 4.597 1.258 1.00 0.00 C ATOM 755 CG ASP A 51 71.223 3.747 0.698 1.00 0.00 C ATOM 756 OD1 ASP A 51 71.104 2.604 1.109 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.485 4.253 -0.132 1.00 0.00 O ATOM 0 H ASP A 51 74.758 4.939 2.771 1.00 0.00 H new ATOM 0 HA ASP A 51 72.030 3.787 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.023 5.620 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 51 73.183 4.642 0.541 1.00 0.00 H new ATOM 762 N VAL A 52 72.858 1.568 2.456 1.00 0.00 N ATOM 763 CA VAL A 52 73.485 0.235 2.221 1.00 0.00 C ATOM 764 C VAL A 52 72.422 -0.772 1.773 1.00 0.00 C ATOM 765 O VAL A 52 71.682 -1.304 2.576 1.00 0.00 O ATOM 766 CB VAL A 52 74.076 -0.180 3.571 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.073 -1.321 3.360 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.797 1.010 4.209 1.00 0.00 C ATOM 0 H VAL A 52 71.872 1.542 2.717 1.00 0.00 H new ATOM 0 HA VAL A 52 74.246 0.272 1.441 1.00 0.00 H new ATOM 0 HB VAL A 52 73.272 -0.510 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.495 -1.618 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.562 -2.172 2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.873 -0.987 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.216 0.709 5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.600 1.344 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 52 74.090 1.825 4.361 1.00 0.00 H new ATOM 778 N ARG A 53 72.336 -1.037 0.497 1.00 0.00 N ATOM 779 CA ARG A 53 71.317 -2.008 0.007 1.00 0.00 C ATOM 780 C ARG A 53 71.980 -3.337 -0.359 1.00 0.00 C ATOM 781 O ARG A 53 73.189 -3.445 -0.421 1.00 0.00 O ATOM 782 CB ARG A 53 70.709 -1.355 -1.235 1.00 0.00 C ATOM 783 CG ARG A 53 69.189 -1.524 -1.208 1.00 0.00 C ATOM 784 CD ARG A 53 68.520 -0.161 -1.400 1.00 0.00 C ATOM 785 NE ARG A 53 67.088 -0.471 -1.667 1.00 0.00 N ATOM 786 CZ ARG A 53 66.754 -1.157 -2.725 1.00 0.00 C ATOM 787 NH1 ARG A 53 67.030 -0.697 -3.915 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.145 -2.304 -2.594 1.00 0.00 N ATOM 0 H ARG A 53 72.926 -0.624 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 53 70.564 -2.228 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 53 70.967 -0.297 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.120 -1.810 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.875 -2.209 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 53 68.878 -1.963 -0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 53 68.630 0.462 -0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 53 68.967 0.385 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 53 66.368 -0.147 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.507 0.199 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 53 66.769 -1.233 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 53 65.930 -2.664 -1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.884 -2.840 -3.421 1.00 0.00 H new ATOM 802 N THR A 54 71.196 -4.352 -0.598 1.00 0.00 N ATOM 803 CA THR A 54 71.769 -5.674 -0.954 1.00 0.00 C ATOM 804 C THR A 54 72.086 -5.734 -2.450 1.00 0.00 C ATOM 805 O THR A 54 71.686 -4.880 -3.217 1.00 0.00 O ATOM 806 CB THR A 54 70.670 -6.670 -0.594 1.00 0.00 C ATOM 807 OG1 THR A 54 69.635 -6.602 -1.564 1.00 0.00 O ATOM 808 CG2 THR A 54 70.102 -6.338 0.787 1.00 0.00 C ATOM 0 H THR A 54 70.177 -4.319 -0.561 1.00 0.00 H new ATOM 0 HA THR A 54 72.703 -5.881 -0.432 1.00 0.00 H new ATOM 0 HB THR A 54 71.087 -7.677 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.929 -7.242 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.318 -7.052 1.039 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.897 -6.394 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.686 -5.331 0.777 1.00 0.00 H new ATOM 816 N GLY A 55 72.808 -6.738 -2.867 1.00 0.00 N ATOM 817 CA GLY A 55 73.164 -6.859 -4.309 1.00 0.00 C ATOM 818 C GLY A 55 72.656 -8.193 -4.859 1.00 0.00 C ATOM 819 O GLY A 55 73.008 -9.251 -4.370 1.00 0.00 O ATOM 0 H GLY A 55 73.168 -7.482 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.727 -6.034 -4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.245 -6.792 -4.433 1.00 0.00 H new ATOM 823 N THR A 56 71.834 -8.144 -5.875 1.00 0.00 N ATOM 824 CA THR A 56 71.292 -9.398 -6.476 1.00 0.00 C ATOM 825 C THR A 56 70.346 -10.093 -5.495 1.00 0.00 C ATOM 826 O THR A 56 69.191 -10.329 -5.791 1.00 0.00 O ATOM 827 CB THR A 56 72.516 -10.271 -6.757 1.00 0.00 C ATOM 828 OG1 THR A 56 73.553 -9.467 -7.300 1.00 0.00 O ATOM 829 CG2 THR A 56 72.142 -11.367 -7.758 1.00 0.00 C ATOM 0 H THR A 56 71.513 -7.283 -6.317 1.00 0.00 H new ATOM 0 HA THR A 56 70.718 -9.203 -7.382 1.00 0.00 H new ATOM 0 HB THR A 56 72.858 -10.729 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.423 -9.839 -7.045 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.014 -11.989 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.344 -11.983 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.801 -10.910 -8.687 1.00 0.00 H new ATOM 837 N ASN A 57 70.825 -10.422 -4.329 1.00 0.00 N ATOM 838 CA ASN A 57 69.955 -11.100 -3.328 1.00 0.00 C ATOM 839 C ASN A 57 70.755 -11.379 -2.055 1.00 0.00 C ATOM 840 O ASN A 57 70.281 -11.180 -0.955 1.00 0.00 O ATOM 841 CB ASN A 57 69.528 -12.409 -3.993 1.00 0.00 C ATOM 842 CG ASN A 57 68.017 -12.587 -3.849 1.00 0.00 C ATOM 843 OD1 ASN A 57 67.473 -12.417 -2.775 1.00 0.00 O ATOM 844 ND2 ASN A 57 67.309 -12.922 -4.892 1.00 0.00 N ATOM 0 H ASN A 57 71.783 -10.251 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 57 69.095 -10.494 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 57 69.805 -12.400 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.049 -13.249 -3.534 1.00 0.00 H new ATOM 0 HD21 ASN A 57 66.300 -13.041 -4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 57 67.765 -13.065 -5.793 1.00 0.00 H new ATOM 851 N ARG A 58 71.967 -11.838 -2.203 1.00 0.00 N ATOM 852 CA ARG A 58 72.809 -12.129 -1.008 1.00 0.00 C ATOM 853 C ARG A 58 74.257 -12.374 -1.432 1.00 0.00 C ATOM 854 O ARG A 58 75.008 -13.048 -0.755 1.00 0.00 O ATOM 855 CB ARG A 58 72.210 -13.392 -0.399 1.00 0.00 C ATOM 856 CG ARG A 58 72.229 -14.519 -1.433 1.00 0.00 C ATOM 857 CD ARG A 58 72.390 -15.864 -0.721 1.00 0.00 C ATOM 858 NE ARG A 58 72.041 -16.885 -1.746 1.00 0.00 N ATOM 859 CZ ARG A 58 72.025 -18.151 -1.427 1.00 0.00 C ATOM 860 NH1 ARG A 58 73.141 -18.770 -1.158 1.00 0.00 N ATOM 861 NH2 ARG A 58 70.892 -18.797 -1.376 1.00 0.00 N ATOM 0 H ARG A 58 72.412 -12.025 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 58 72.820 -11.301 -0.299 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.777 -13.686 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.188 -13.201 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.306 -14.511 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 58 73.048 -14.368 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 58 73.409 -16.000 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 58 71.732 -15.933 0.145 1.00 0.00 H new ATOM 0 HE ARG A 58 71.814 -16.596 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 58 74.026 -18.265 -1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 58 73.128 -19.759 -0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 58 70.019 -18.313 -1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 58 70.880 -19.786 -1.127 1.00 0.00 H new ATOM 875 N LYS A 59 74.655 -11.829 -2.547 1.00 0.00 N ATOM 876 CA LYS A 59 76.055 -12.028 -3.011 1.00 0.00 C ATOM 877 C LYS A 59 76.761 -10.677 -3.121 1.00 0.00 C ATOM 878 O LYS A 59 77.970 -10.587 -3.033 1.00 0.00 O ATOM 879 CB LYS A 59 75.930 -12.689 -4.384 1.00 0.00 C ATOM 880 CG LYS A 59 75.893 -14.209 -4.216 1.00 0.00 C ATOM 881 CD LYS A 59 76.944 -14.849 -5.125 1.00 0.00 C ATOM 882 CE LYS A 59 76.279 -15.901 -6.016 1.00 0.00 C ATOM 883 NZ LYS A 59 77.103 -15.930 -7.256 1.00 0.00 N ATOM 0 H LYS A 59 74.072 -11.255 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 59 76.640 -12.639 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.024 -12.345 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.771 -12.402 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.085 -14.475 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.902 -14.589 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.421 -14.086 -5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.728 -15.310 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.262 -16.877 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 59 75.245 -15.636 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 76.710 -16.629 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.095 -14.990 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.081 -16.192 -7.017 1.00 0.00 H new ATOM 897 N PHE A 60 76.016 -9.621 -3.305 1.00 0.00 N ATOM 898 CA PHE A 60 76.652 -8.272 -3.409 1.00 0.00 C ATOM 899 C PHE A 60 75.817 -7.254 -2.631 1.00 0.00 C ATOM 900 O PHE A 60 74.886 -7.607 -1.936 1.00 0.00 O ATOM 901 CB PHE A 60 76.677 -7.916 -4.905 1.00 0.00 C ATOM 902 CG PHE A 60 76.785 -9.165 -5.748 1.00 0.00 C ATOM 903 CD1 PHE A 60 75.664 -9.980 -5.933 1.00 0.00 C ATOM 904 CD2 PHE A 60 78.003 -9.504 -6.349 1.00 0.00 C ATOM 905 CE1 PHE A 60 75.756 -11.133 -6.717 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.097 -10.658 -7.133 1.00 0.00 C ATOM 907 CZ PHE A 60 76.974 -11.473 -7.319 1.00 0.00 C ATOM 0 H PHE A 60 74.999 -9.631 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 60 77.659 -8.267 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.772 -7.370 -5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.519 -7.256 -5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 60 74.725 -9.718 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 60 78.869 -8.875 -6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 60 74.889 -11.761 -6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 60 79.037 -10.921 -7.596 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.047 -12.363 -7.926 1.00 0.00 H new ATOM 917 N GLY A 61 76.139 -5.995 -2.737 1.00 0.00 N ATOM 918 CA GLY A 61 75.351 -4.970 -1.996 1.00 0.00 C ATOM 919 C GLY A 61 75.795 -3.566 -2.407 1.00 0.00 C ATOM 920 O GLY A 61 76.927 -3.346 -2.782 1.00 0.00 O ATOM 0 H GLY A 61 76.908 -5.633 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.288 -5.098 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.486 -5.103 -0.923 1.00 0.00 H new ATOM 924 N TYR A 62 74.907 -2.612 -2.327 1.00 0.00 N ATOM 925 CA TYR A 62 75.276 -1.214 -2.699 1.00 0.00 C ATOM 926 C TYR A 62 75.366 -0.362 -1.445 1.00 0.00 C ATOM 927 O TYR A 62 74.711 -0.622 -0.456 1.00 0.00 O ATOM 928 CB TYR A 62 74.152 -0.720 -3.611 1.00 0.00 C ATOM 929 CG TYR A 62 73.893 -1.736 -4.698 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.621 -1.685 -5.892 1.00 0.00 C ATOM 931 CD2 TYR A 62 72.922 -2.726 -4.513 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.378 -2.625 -6.901 1.00 0.00 C ATOM 933 CE2 TYR A 62 72.679 -3.667 -5.521 1.00 0.00 C ATOM 934 CZ TYR A 62 73.406 -3.616 -6.715 1.00 0.00 C ATOM 935 OH TYR A 62 73.167 -4.542 -7.710 1.00 0.00 O ATOM 0 H TYR A 62 73.942 -2.739 -2.020 1.00 0.00 H new ATOM 0 HA TYR A 62 76.242 -1.159 -3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.245 -0.556 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 62 74.424 0.238 -4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 62 75.370 -0.921 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 62 72.359 -2.764 -3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 62 74.940 -2.586 -7.822 1.00 0.00 H new ATOM 0 HE2 TYR A 62 71.930 -4.432 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 62 72.463 -5.159 -7.420 1.00 0.00 H new ATOM 945 N VAL A 63 76.193 0.641 -1.463 1.00 0.00 N ATOM 946 CA VAL A 63 76.340 1.484 -0.252 1.00 0.00 C ATOM 947 C VAL A 63 76.739 2.918 -0.618 1.00 0.00 C ATOM 948 O VAL A 63 77.471 3.156 -1.559 1.00 0.00 O ATOM 949 CB VAL A 63 77.457 0.811 0.544 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.439 1.334 1.971 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.251 -0.707 0.568 1.00 0.00 C ATOM 0 H VAL A 63 76.770 0.912 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 63 75.407 1.561 0.307 1.00 0.00 H new ATOM 0 HB VAL A 63 78.413 1.036 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.234 0.857 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.593 2.413 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.476 1.108 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.054 -1.174 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.293 -0.937 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.259 -1.091 -0.452 1.00 0.00 H new ATOM 961 N ASP A 64 76.269 3.869 0.141 1.00 0.00 N ATOM 962 CA ASP A 64 76.617 5.293 -0.118 1.00 0.00 C ATOM 963 C ASP A 64 77.266 5.876 1.133 1.00 0.00 C ATOM 964 O ASP A 64 76.919 5.514 2.240 1.00 0.00 O ATOM 965 CB ASP A 64 75.286 5.984 -0.386 1.00 0.00 C ATOM 966 CG ASP A 64 74.655 5.416 -1.659 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.760 4.218 -1.863 1.00 0.00 O ATOM 968 OD2 ASP A 64 74.079 6.188 -2.407 1.00 0.00 O ATOM 0 H ASP A 64 75.652 3.717 0.939 1.00 0.00 H new ATOM 0 HA ASP A 64 77.310 5.416 -0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.614 5.840 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.438 7.058 -0.492 1.00 0.00 H new ATOM 973 N PHE A 65 78.194 6.778 0.973 1.00 0.00 N ATOM 974 CA PHE A 65 78.849 7.377 2.166 1.00 0.00 C ATOM 975 C PHE A 65 78.515 8.865 2.249 1.00 0.00 C ATOM 976 O PHE A 65 77.697 9.361 1.501 1.00 0.00 O ATOM 977 CB PHE A 65 80.338 7.142 1.972 1.00 0.00 C ATOM 978 CG PHE A 65 80.598 5.662 1.861 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.038 4.788 2.799 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.401 5.163 0.829 1.00 0.00 C ATOM 981 CE1 PHE A 65 80.278 3.415 2.706 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.642 3.787 0.736 1.00 0.00 C ATOM 983 CZ PHE A 65 81.079 2.914 1.676 1.00 0.00 C ATOM 0 H PHE A 65 78.525 7.124 0.072 1.00 0.00 H new ATOM 0 HA PHE A 65 78.507 6.932 3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.684 7.652 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.896 7.559 2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 65 79.420 5.175 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.834 5.838 0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 65 79.845 2.741 3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.261 3.399 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.264 1.852 1.605 1.00 0.00 H new ATOM 993 N GLU A 66 79.082 9.579 3.183 1.00 0.00 N ATOM 994 CA GLU A 66 78.705 11.014 3.320 1.00 0.00 C ATOM 995 C GLU A 66 79.912 11.968 3.371 1.00 0.00 C ATOM 996 O GLU A 66 79.842 12.998 4.011 1.00 0.00 O ATOM 997 CB GLU A 66 77.958 11.062 4.651 1.00 0.00 C ATOM 998 CG GLU A 66 76.455 11.174 4.394 1.00 0.00 C ATOM 999 CD GLU A 66 75.939 12.505 4.946 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.356 13.534 4.442 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.136 12.471 5.864 1.00 0.00 O ATOM 0 H GLU A 66 79.778 9.238 3.846 1.00 0.00 H new ATOM 0 HA GLU A 66 78.124 11.344 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.172 10.165 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.300 11.912 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.253 11.109 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 66 75.932 10.344 4.869 1.00 0.00 H new ATOM 1008 N SER A 67 81.012 11.675 2.724 1.00 0.00 N ATOM 1009 CA SER A 67 82.152 12.641 2.806 1.00 0.00 C ATOM 1010 C SER A 67 83.306 12.284 1.883 1.00 0.00 C ATOM 1011 O SER A 67 83.376 11.221 1.294 1.00 0.00 O ATOM 1012 CB SER A 67 82.644 12.567 4.245 1.00 0.00 C ATOM 1013 OG SER A 67 82.861 11.206 4.598 1.00 0.00 O ATOM 0 H SER A 67 81.170 10.839 2.161 1.00 0.00 H new ATOM 0 HA SER A 67 81.810 13.631 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.568 13.135 4.355 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.911 13.016 4.916 1.00 0.00 H new ATOM 0 HG SER A 67 83.179 11.155 5.523 1.00 0.00 H new ATOM 1019 N ALA A 68 84.245 13.176 1.819 1.00 0.00 N ATOM 1020 CA ALA A 68 85.462 12.944 1.010 1.00 0.00 C ATOM 1021 C ALA A 68 86.325 11.975 1.786 1.00 0.00 C ATOM 1022 O ALA A 68 87.098 11.210 1.245 1.00 0.00 O ATOM 1023 CB ALA A 68 86.140 14.305 0.946 1.00 0.00 C ATOM 0 H ALA A 68 84.219 14.073 2.303 1.00 0.00 H new ATOM 0 HA ALA A 68 85.272 12.543 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 68 87.057 14.228 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 68 85.469 15.024 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.380 14.640 1.955 1.00 0.00 H new ATOM 1029 N GLU A 69 86.168 12.016 3.074 1.00 0.00 N ATOM 1030 CA GLU A 69 86.934 11.120 3.960 1.00 0.00 C ATOM 1031 C GLU A 69 86.385 9.702 3.827 1.00 0.00 C ATOM 1032 O GLU A 69 87.094 8.729 4.000 1.00 0.00 O ATOM 1033 CB GLU A 69 86.686 11.691 5.349 1.00 0.00 C ATOM 1034 CG GLU A 69 88.006 11.764 6.110 1.00 0.00 C ATOM 1035 CD GLU A 69 87.938 10.867 7.347 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.254 9.859 7.285 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.569 11.203 8.335 1.00 0.00 O ATOM 0 H GLU A 69 85.527 12.647 3.555 1.00 0.00 H new ATOM 0 HA GLU A 69 87.998 11.065 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.242 12.684 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.976 11.066 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.827 11.449 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.210 12.793 6.406 1.00 0.00 H new ATOM 1044 N ASP A 70 85.131 9.577 3.479 1.00 0.00 N ATOM 1045 CA ASP A 70 84.552 8.227 3.292 1.00 0.00 C ATOM 1046 C ASP A 70 85.013 7.726 1.940 1.00 0.00 C ATOM 1047 O ASP A 70 85.213 6.548 1.721 1.00 0.00 O ATOM 1048 CB ASP A 70 83.027 8.426 3.329 1.00 0.00 C ATOM 1049 CG ASP A 70 82.481 8.870 1.957 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.817 8.267 0.964 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.690 9.774 1.932 1.00 0.00 O ATOM 0 H ASP A 70 84.489 10.353 3.318 1.00 0.00 H new ATOM 0 HA ASP A 70 84.853 7.503 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.545 7.496 3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.775 9.173 4.081 1.00 0.00 H new ATOM 1056 N LEU A 71 85.177 8.639 1.027 1.00 0.00 N ATOM 1057 CA LEU A 71 85.622 8.265 -0.328 1.00 0.00 C ATOM 1058 C LEU A 71 87.051 7.717 -0.258 1.00 0.00 C ATOM 1059 O LEU A 71 87.384 6.731 -0.887 1.00 0.00 O ATOM 1060 CB LEU A 71 85.546 9.571 -1.125 1.00 0.00 C ATOM 1061 CG LEU A 71 86.558 9.553 -2.274 1.00 0.00 C ATOM 1062 CD1 LEU A 71 85.923 10.162 -3.525 1.00 0.00 C ATOM 1063 CD2 LEU A 71 87.791 10.370 -1.880 1.00 0.00 C ATOM 0 H LEU A 71 85.018 9.636 1.170 1.00 0.00 H new ATOM 0 HA LEU A 71 85.017 7.486 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 71 84.539 9.705 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 71 85.746 10.418 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 71 86.853 8.524 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 71 86.644 10.149 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 71 85.045 9.581 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 71 85.627 11.191 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 71 88.512 10.358 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 71 87.495 11.398 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 71 88.245 9.936 -0.989 1.00 0.00 H new ATOM 1075 N GLU A 72 87.890 8.339 0.524 1.00 0.00 N ATOM 1076 CA GLU A 72 89.290 7.845 0.658 1.00 0.00 C ATOM 1077 C GLU A 72 89.285 6.521 1.425 1.00 0.00 C ATOM 1078 O GLU A 72 90.073 5.629 1.165 1.00 0.00 O ATOM 1079 CB GLU A 72 90.021 8.928 1.453 1.00 0.00 C ATOM 1080 CG GLU A 72 91.294 9.337 0.708 1.00 0.00 C ATOM 1081 CD GLU A 72 91.727 10.731 1.161 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.917 10.912 2.353 1.00 0.00 O ATOM 1083 OE2 GLU A 72 91.862 11.595 0.311 1.00 0.00 O ATOM 0 H GLU A 72 87.667 9.167 1.076 1.00 0.00 H new ATOM 0 HA GLU A 72 89.770 7.665 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.373 9.794 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 72 90.272 8.558 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 72 92.089 8.617 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 72 91.116 9.332 -0.367 1.00 0.00 H new ATOM 1090 N LYS A 73 88.372 6.374 2.347 1.00 0.00 N ATOM 1091 CA LYS A 73 88.285 5.104 3.104 1.00 0.00 C ATOM 1092 C LYS A 73 87.520 4.114 2.248 1.00 0.00 C ATOM 1093 O LYS A 73 87.657 2.914 2.379 1.00 0.00 O ATOM 1094 CB LYS A 73 87.511 5.442 4.379 1.00 0.00 C ATOM 1095 CG LYS A 73 88.169 6.634 5.077 1.00 0.00 C ATOM 1096 CD LYS A 73 89.120 6.129 6.163 1.00 0.00 C ATOM 1097 CE LYS A 73 89.113 7.103 7.344 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.247 6.671 8.206 1.00 0.00 N ATOM 0 H LYS A 73 87.685 7.082 2.605 1.00 0.00 H new ATOM 0 HA LYS A 73 89.254 4.671 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.475 5.676 4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.495 4.580 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.716 7.237 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 73 87.407 7.277 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 73 88.815 5.137 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 73 90.129 6.035 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.242 8.132 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.168 7.061 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.307 7.292 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.093 5.690 8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 91.134 6.728 7.667 1.00 0.00 H new ATOM 1112 N ALA A 74 86.730 4.623 1.341 1.00 0.00 N ATOM 1113 CA ALA A 74 85.974 3.728 0.444 1.00 0.00 C ATOM 1114 C ALA A 74 86.969 3.052 -0.493 1.00 0.00 C ATOM 1115 O ALA A 74 86.786 1.928 -0.918 1.00 0.00 O ATOM 1116 CB ALA A 74 85.018 4.637 -0.330 1.00 0.00 C ATOM 0 H ALA A 74 86.581 5.621 1.189 1.00 0.00 H new ATOM 0 HA ALA A 74 85.420 2.951 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 74 84.422 4.037 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 84.358 5.150 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 74 85.592 5.373 -0.893 1.00 0.00 H new ATOM 1122 N LEU A 75 88.046 3.732 -0.786 1.00 0.00 N ATOM 1123 CA LEU A 75 89.091 3.145 -1.658 1.00 0.00 C ATOM 1124 C LEU A 75 89.854 2.104 -0.849 1.00 0.00 C ATOM 1125 O LEU A 75 90.052 0.984 -1.277 1.00 0.00 O ATOM 1126 CB LEU A 75 89.998 4.321 -2.021 1.00 0.00 C ATOM 1127 CG LEU A 75 90.561 4.121 -3.424 1.00 0.00 C ATOM 1128 CD1 LEU A 75 91.499 2.913 -3.427 1.00 0.00 C ATOM 1129 CD2 LEU A 75 89.411 3.882 -4.405 1.00 0.00 C ATOM 0 H LEU A 75 88.243 4.676 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 75 88.697 2.658 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 75 89.437 5.254 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 75 90.812 4.401 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 75 91.115 5.010 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 75 91.903 2.768 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 75 92.317 3.086 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.947 2.023 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 75 89.812 3.739 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 75 88.856 2.993 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.744 4.744 -4.401 1.00 0.00 H new ATOM 1141 N GLU A 76 90.258 2.464 0.339 1.00 0.00 N ATOM 1142 CA GLU A 76 90.982 1.493 1.203 1.00 0.00 C ATOM 1143 C GLU A 76 89.963 0.621 1.949 1.00 0.00 C ATOM 1144 O GLU A 76 90.306 -0.142 2.831 1.00 0.00 O ATOM 1145 CB GLU A 76 91.784 2.349 2.184 1.00 0.00 C ATOM 1146 CG GLU A 76 93.268 1.998 2.074 1.00 0.00 C ATOM 1147 CD GLU A 76 94.053 3.229 1.617 1.00 0.00 C ATOM 1148 OE1 GLU A 76 94.047 3.504 0.429 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.645 3.877 2.464 1.00 0.00 O ATOM 0 H GLU A 76 90.117 3.388 0.747 1.00 0.00 H new ATOM 0 HA GLU A 76 91.631 0.825 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.633 3.407 1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.434 2.179 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.643 1.652 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.408 1.181 1.366 1.00 0.00 H new ATOM 1156 N LEU A 77 88.711 0.739 1.594 1.00 0.00 N ATOM 1157 CA LEU A 77 87.646 -0.060 2.263 1.00 0.00 C ATOM 1158 C LEU A 77 87.813 -1.550 1.961 1.00 0.00 C ATOM 1159 O LEU A 77 87.140 -2.389 2.523 1.00 0.00 O ATOM 1160 CB LEU A 77 86.356 0.455 1.640 1.00 0.00 C ATOM 1161 CG LEU A 77 85.206 0.288 2.622 1.00 0.00 C ATOM 1162 CD1 LEU A 77 83.993 1.039 2.085 1.00 0.00 C ATOM 1163 CD2 LEU A 77 84.872 -1.198 2.765 1.00 0.00 C ATOM 0 H LEU A 77 88.378 1.363 0.859 1.00 0.00 H new ATOM 0 HA LEU A 77 87.670 0.042 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.466 1.505 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.143 -0.090 0.720 1.00 0.00 H new ATOM 0 HG LEU A 77 85.485 0.686 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 77 83.160 0.928 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 77 84.238 2.096 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 77 83.713 0.631 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 77 84.048 -1.320 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 77 84.583 -1.601 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 77 85.747 -1.734 3.134 1.00 0.00 H new ATOM 1175 N THR A 78 88.697 -1.880 1.065 1.00 0.00 N ATOM 1176 CA THR A 78 88.905 -3.317 0.705 1.00 0.00 C ATOM 1177 C THR A 78 89.590 -4.090 1.835 1.00 0.00 C ATOM 1178 O THR A 78 89.925 -5.248 1.693 1.00 0.00 O ATOM 1179 CB THR A 78 89.794 -3.287 -0.535 1.00 0.00 C ATOM 1180 OG1 THR A 78 89.148 -2.545 -1.561 1.00 0.00 O ATOM 1181 CG2 THR A 78 90.050 -4.715 -1.018 1.00 0.00 C ATOM 0 H THR A 78 89.289 -1.218 0.562 1.00 0.00 H new ATOM 0 HA THR A 78 87.956 -3.823 0.528 1.00 0.00 H new ATOM 0 HB THR A 78 90.745 -2.815 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.718 -2.523 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 78 90.685 -4.691 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 78 90.547 -5.282 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 78 89.101 -5.191 -1.265 1.00 0.00 H new ATOM 1189 N GLY A 79 89.793 -3.465 2.949 1.00 0.00 N ATOM 1190 CA GLY A 79 90.448 -4.162 4.092 1.00 0.00 C ATOM 1191 C GLY A 79 89.377 -4.651 5.072 1.00 0.00 C ATOM 1192 O GLY A 79 89.667 -5.346 6.026 1.00 0.00 O ATOM 0 H GLY A 79 89.534 -2.494 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.036 -5.005 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.138 -3.486 4.598 1.00 0.00 H new ATOM 1196 N LEU A 80 88.142 -4.290 4.848 1.00 0.00 N ATOM 1197 CA LEU A 80 87.054 -4.725 5.765 1.00 0.00 C ATOM 1198 C LEU A 80 86.416 -6.023 5.270 1.00 0.00 C ATOM 1199 O LEU A 80 85.883 -6.090 4.181 1.00 0.00 O ATOM 1200 CB LEU A 80 86.043 -3.588 5.717 1.00 0.00 C ATOM 1201 CG LEU A 80 86.542 -2.419 6.567 1.00 0.00 C ATOM 1202 CD1 LEU A 80 87.561 -1.605 5.768 1.00 0.00 C ATOM 1203 CD2 LEU A 80 85.360 -1.524 6.945 1.00 0.00 C ATOM 0 H LEU A 80 87.841 -3.710 4.065 1.00 0.00 H new ATOM 0 HA LEU A 80 87.418 -4.922 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.894 -3.264 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.077 -3.932 6.086 1.00 0.00 H new ATOM 0 HG LEU A 80 87.013 -2.803 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.917 -0.772 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 80 88.403 -2.242 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.090 -1.221 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 80 85.714 -0.690 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 80 84.890 -1.140 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 80 84.633 -2.103 7.514 1.00 0.00 H new ATOM 1215 N LYS A 81 86.457 -7.045 6.073 1.00 0.00 N ATOM 1216 CA LYS A 81 85.844 -8.343 5.669 1.00 0.00 C ATOM 1217 C LYS A 81 84.437 -8.445 6.211 1.00 0.00 C ATOM 1218 O LYS A 81 84.179 -9.078 7.215 1.00 0.00 O ATOM 1219 CB LYS A 81 86.681 -9.406 6.310 1.00 0.00 C ATOM 1220 CG LYS A 81 87.804 -9.827 5.368 1.00 0.00 C ATOM 1221 CD LYS A 81 89.109 -9.964 6.155 1.00 0.00 C ATOM 1222 CE LYS A 81 90.219 -9.187 5.446 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.370 -10.130 5.385 1.00 0.00 N ATOM 0 H LYS A 81 86.890 -7.040 6.997 1.00 0.00 H new ATOM 0 HA LYS A 81 85.804 -8.438 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.100 -9.035 7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.061 -10.268 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.555 -10.774 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.922 -9.090 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.976 -9.585 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.385 -11.015 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 81 89.909 -8.878 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.479 -8.281 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 92.172 -9.668 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 91.648 -10.402 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.095 -10.979 4.852 1.00 0.00 H new ATOM 1237 N VAL A 82 83.541 -7.833 5.544 1.00 0.00 N ATOM 1238 CA VAL A 82 82.118 -7.877 5.982 1.00 0.00 C ATOM 1239 C VAL A 82 81.769 -9.311 6.399 1.00 0.00 C ATOM 1240 O VAL A 82 81.886 -10.240 5.626 1.00 0.00 O ATOM 1241 CB VAL A 82 81.308 -7.427 4.762 1.00 0.00 C ATOM 1242 CG1 VAL A 82 79.901 -8.029 4.808 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.202 -5.900 4.768 1.00 0.00 C ATOM 0 H VAL A 82 83.716 -7.290 4.698 1.00 0.00 H new ATOM 0 HA VAL A 82 81.910 -7.236 6.839 1.00 0.00 H new ATOM 0 HB VAL A 82 81.810 -7.766 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.336 -7.701 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 82 79.970 -9.117 4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 82 79.393 -7.698 5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 82 80.627 -5.572 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 82 80.703 -5.574 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 82 82.201 -5.466 4.726 1.00 0.00 H new ATOM 1253 N PHE A 83 81.357 -9.495 7.623 1.00 0.00 N ATOM 1254 CA PHE A 83 81.019 -10.864 8.103 1.00 0.00 C ATOM 1255 C PHE A 83 82.133 -11.859 7.753 1.00 0.00 C ATOM 1256 O PHE A 83 81.917 -13.053 7.718 1.00 0.00 O ATOM 1257 CB PHE A 83 79.723 -11.231 7.385 1.00 0.00 C ATOM 1258 CG PHE A 83 78.596 -11.254 8.389 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.354 -12.408 9.142 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.798 -10.119 8.571 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.315 -12.427 10.080 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.758 -10.138 9.507 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.517 -11.292 10.262 1.00 0.00 C ATOM 0 H PHE A 83 81.240 -8.753 8.313 1.00 0.00 H new ATOM 0 HA PHE A 83 80.909 -10.896 9.187 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.511 -10.508 6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.821 -12.205 6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.969 -13.284 9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.985 -9.229 7.989 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.129 -13.317 10.663 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.141 -9.262 9.647 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.715 -11.306 10.985 1.00 0.00 H new ATOM 1273 N GLY A 84 83.326 -11.384 7.498 1.00 0.00 N ATOM 1274 CA GLY A 84 84.438 -12.318 7.160 1.00 0.00 C ATOM 1275 C GLY A 84 84.655 -12.327 5.648 1.00 0.00 C ATOM 1276 O GLY A 84 85.363 -13.158 5.115 1.00 0.00 O ATOM 0 H GLY A 84 83.575 -10.395 7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.352 -12.010 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.202 -13.323 7.510 1.00 0.00 H new ATOM 1280 N ASN A 85 84.053 -11.403 4.952 1.00 0.00 N ATOM 1281 CA ASN A 85 84.226 -11.353 3.474 1.00 0.00 C ATOM 1282 C ASN A 85 84.645 -9.945 3.052 1.00 0.00 C ATOM 1283 O ASN A 85 83.874 -9.011 3.130 1.00 0.00 O ATOM 1284 CB ASN A 85 82.854 -11.703 2.897 1.00 0.00 C ATOM 1285 CG ASN A 85 82.275 -12.905 3.644 1.00 0.00 C ATOM 1286 OD1 ASN A 85 81.727 -12.760 4.719 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.375 -14.095 3.119 1.00 0.00 N ATOM 0 H ASN A 85 83.449 -10.680 5.343 1.00 0.00 H new ATOM 0 HA ASN A 85 84.996 -12.039 3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.182 -10.849 2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.942 -11.930 1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.993 -14.903 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 85 82.835 -14.217 2.217 1.00 0.00 H new ATOM 1294 N GLU A 86 85.863 -9.789 2.613 1.00 0.00 N ATOM 1295 CA GLU A 86 86.342 -8.443 2.185 1.00 0.00 C ATOM 1296 C GLU A 86 85.472 -7.913 1.047 1.00 0.00 C ATOM 1297 O GLU A 86 85.855 -7.930 -0.106 1.00 0.00 O ATOM 1298 CB GLU A 86 87.777 -8.674 1.718 1.00 0.00 C ATOM 1299 CG GLU A 86 88.231 -7.509 0.835 1.00 0.00 C ATOM 1300 CD GLU A 86 88.374 -7.990 -0.610 1.00 0.00 C ATOM 1301 OE1 GLU A 86 88.601 -9.174 -0.800 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.254 -7.167 -1.503 1.00 0.00 O ATOM 0 H GLU A 86 86.550 -10.538 2.532 1.00 0.00 H new ATOM 0 HA GLU A 86 86.291 -7.704 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.438 -8.768 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.842 -9.610 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.508 -6.695 0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 86 89.182 -7.115 1.194 1.00 0.00 H new ATOM 1309 N ILE A 87 84.302 -7.442 1.367 1.00 0.00 N ATOM 1310 CA ILE A 87 83.398 -6.909 0.312 1.00 0.00 C ATOM 1311 C ILE A 87 84.190 -6.054 -0.672 1.00 0.00 C ATOM 1312 O ILE A 87 85.064 -5.298 -0.299 1.00 0.00 O ATOM 1313 CB ILE A 87 82.363 -6.058 1.049 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.054 -5.238 2.144 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.311 -6.972 1.679 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.148 -4.078 2.560 1.00 0.00 C ATOM 0 H ILE A 87 83.931 -7.403 2.316 1.00 0.00 H new ATOM 0 HA ILE A 87 82.925 -7.706 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 87 81.882 -5.380 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.271 -5.871 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.008 -4.856 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.572 -6.368 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.817 -7.551 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.793 -7.650 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 87 82.639 -3.494 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 87 81.953 -3.441 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.205 -4.471 2.941 1.00 0.00 H new ATOM 1328 N LYS A 88 83.879 -6.167 -1.927 1.00 0.00 N ATOM 1329 CA LYS A 88 84.594 -5.364 -2.952 1.00 0.00 C ATOM 1330 C LYS A 88 83.657 -4.287 -3.489 1.00 0.00 C ATOM 1331 O LYS A 88 82.456 -4.396 -3.378 1.00 0.00 O ATOM 1332 CB LYS A 88 84.958 -6.358 -4.055 1.00 0.00 C ATOM 1333 CG LYS A 88 86.181 -7.173 -3.627 1.00 0.00 C ATOM 1334 CD LYS A 88 87.290 -7.019 -4.670 1.00 0.00 C ATOM 1335 CE LYS A 88 88.470 -7.920 -4.297 1.00 0.00 C ATOM 1336 NZ LYS A 88 89.477 -7.003 -3.693 1.00 0.00 N ATOM 0 H LYS A 88 83.155 -6.786 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 88 85.478 -4.864 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.117 -7.022 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.169 -5.826 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.534 -6.834 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.911 -8.224 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.914 -7.284 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.614 -5.980 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 88 88.168 -8.695 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 88 88.873 -8.427 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 90.423 -7.428 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 89.465 -6.094 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 89.247 -6.846 -2.691 1.00 0.00 H new ATOM 1350 N LEU A 89 84.190 -3.247 -4.057 1.00 0.00 N ATOM 1351 CA LEU A 89 83.323 -2.167 -4.587 1.00 0.00 C ATOM 1352 C LEU A 89 83.557 -1.980 -6.089 1.00 0.00 C ATOM 1353 O LEU A 89 84.470 -2.544 -6.661 1.00 0.00 O ATOM 1354 CB LEU A 89 83.734 -0.907 -3.820 1.00 0.00 C ATOM 1355 CG LEU A 89 85.241 -0.909 -3.553 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.754 0.530 -3.509 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.519 -1.589 -2.210 1.00 0.00 C ATOM 0 H LEU A 89 85.192 -3.098 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 89 82.265 -2.395 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.461 -0.021 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.192 -0.856 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 89 85.750 -1.452 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.827 0.528 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.556 1.016 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.245 1.073 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.592 -1.591 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.010 -1.045 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.154 -2.616 -2.239 1.00 0.00 H new ATOM 1369 N GLU A 90 82.739 -1.191 -6.729 1.00 0.00 N ATOM 1370 CA GLU A 90 82.910 -0.963 -8.193 1.00 0.00 C ATOM 1371 C GLU A 90 82.037 0.210 -8.648 1.00 0.00 C ATOM 1372 O GLU A 90 80.833 0.204 -8.475 1.00 0.00 O ATOM 1373 CB GLU A 90 82.450 -2.263 -8.854 1.00 0.00 C ATOM 1374 CG GLU A 90 83.495 -2.713 -9.877 1.00 0.00 C ATOM 1375 CD GLU A 90 82.794 -3.148 -11.166 1.00 0.00 C ATOM 1376 OE1 GLU A 90 82.420 -2.279 -11.936 1.00 0.00 O ATOM 1377 OE2 GLU A 90 82.645 -4.343 -11.362 1.00 0.00 O ATOM 0 H GLU A 90 81.958 -0.693 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 90 83.938 -0.716 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.308 -3.037 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.487 -2.114 -9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.190 -1.899 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 90 84.082 -3.538 -9.474 1.00 0.00 H new