USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 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 24 ASN :FLIP amide:sc= -5.4! C(o=-13!,f=-10!) USER MOD Set 1.2: A 85 ASN : amide:sc= -4.69! C(o=-10!,f=-13!) USER MOD Set 2.1: A 16 THR OG1 : rot 60:sc= -1.49! USER MOD Set 2.2: A 19 ASN : amide:sc= -2.46! C(o=-4!,f=-14!) USER MOD Single : A 15 THR OG1 : rot 178:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -6.38! C(o=-6.4!,f=-18!) USER MOD Single : A 28 ASN : amide:sc=-0.00872 K(o=-0.0087,f=-0.72) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 1.08 (180deg=1.03) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 140:sc= -2.36! (180deg=-3.45!) USER MOD Single : A 39 SER OG : rot 79:sc= 0.00436 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= -4.72! (180deg=-4.78!) USER MOD Single : A 45 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.21) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 141:sc= 0.12 USER MOD Single : A 57 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.66) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -4.31! USER MOD Single : A 67 SER OG : rot -95:sc= -1.94! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 153:sc= 0.206 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.809 9.185 -2.051 1.00 0.00 N ATOM 191 CA THR A 15 70.691 9.977 -0.793 1.00 0.00 C ATOM 192 C THR A 15 71.954 10.807 -0.576 1.00 0.00 C ATOM 193 O THR A 15 71.940 11.824 0.088 1.00 0.00 O ATOM 194 CB THR A 15 70.526 8.936 0.316 1.00 0.00 C ATOM 195 OG1 THR A 15 70.034 9.569 1.489 1.00 0.00 O ATOM 196 CG2 THR A 15 71.875 8.280 0.616 1.00 0.00 C ATOM 0 HA THR A 15 69.855 10.676 -0.817 1.00 0.00 H new ATOM 0 HB THR A 15 69.820 8.172 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 15 69.890 8.897 2.188 1.00 0.00 H new ATOM 0 HG21 THR A 15 71.752 7.540 1.406 1.00 0.00 H new ATOM 0 HG22 THR A 15 72.250 7.792 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 15 72.586 9.041 0.939 1.00 0.00 H new ATOM 204 N THR A 16 73.043 10.376 -1.136 1.00 0.00 N ATOM 205 CA THR A 16 74.320 11.130 -0.976 1.00 0.00 C ATOM 206 C THR A 16 75.089 11.157 -2.299 1.00 0.00 C ATOM 207 O THR A 16 74.791 10.407 -3.207 1.00 0.00 O ATOM 208 CB THR A 16 75.109 10.362 0.084 1.00 0.00 C ATOM 209 OG1 THR A 16 75.339 9.034 -0.368 1.00 0.00 O ATOM 210 CG2 THR A 16 74.317 10.329 1.392 1.00 0.00 C ATOM 0 H THR A 16 73.109 9.530 -1.702 1.00 0.00 H new ATOM 0 HA THR A 16 74.150 12.167 -0.685 1.00 0.00 H new ATOM 0 HB THR A 16 76.064 10.858 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 16 75.855 9.057 -1.201 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.882 9.781 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.144 11.348 1.738 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.360 9.835 1.225 1.00 0.00 H new ATOM 218 N PRO A 17 76.050 12.035 -2.364 1.00 0.00 N ATOM 219 CA PRO A 17 76.871 12.179 -3.589 1.00 0.00 C ATOM 220 C PRO A 17 77.900 11.048 -3.699 1.00 0.00 C ATOM 221 O PRO A 17 78.383 10.745 -4.772 1.00 0.00 O ATOM 222 CB PRO A 17 77.569 13.521 -3.394 1.00 0.00 C ATOM 223 CG PRO A 17 77.611 13.732 -1.913 1.00 0.00 C ATOM 224 CD PRO A 17 76.450 12.978 -1.314 1.00 0.00 C ATOM 0 HA PRO A 17 76.277 12.133 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.573 13.508 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.024 14.324 -3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.554 13.373 -1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.542 14.793 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.742 12.457 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.633 13.650 -1.050 1.00 0.00 H new ATOM 232 N PHE A 18 78.250 10.425 -2.605 1.00 0.00 N ATOM 233 CA PHE A 18 79.259 9.328 -2.671 1.00 0.00 C ATOM 234 C PHE A 18 78.587 7.959 -2.549 1.00 0.00 C ATOM 235 O PHE A 18 78.507 7.393 -1.481 1.00 0.00 O ATOM 236 CB PHE A 18 80.185 9.574 -1.482 1.00 0.00 C ATOM 237 CG PHE A 18 80.929 10.871 -1.689 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.018 10.919 -2.565 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.524 12.024 -1.008 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.704 12.123 -2.763 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.211 13.229 -1.203 1.00 0.00 C ATOM 242 CZ PHE A 18 82.301 13.278 -2.081 1.00 0.00 C ATOM 0 H PHE A 18 77.884 10.626 -1.675 1.00 0.00 H new ATOM 0 HA PHE A 18 79.794 9.326 -3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.607 9.616 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.890 8.749 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.330 10.027 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.682 11.985 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.544 12.161 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.900 14.120 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.831 14.207 -2.232 1.00 0.00 H new ATOM 252 N ASN A 19 78.119 7.414 -3.636 1.00 0.00 N ATOM 253 CA ASN A 19 77.470 6.076 -3.578 1.00 0.00 C ATOM 254 C ASN A 19 78.196 5.120 -4.520 1.00 0.00 C ATOM 255 O ASN A 19 78.698 5.511 -5.555 1.00 0.00 O ATOM 256 CB ASN A 19 76.030 6.293 -4.048 1.00 0.00 C ATOM 257 CG ASN A 19 75.480 7.596 -3.463 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.021 8.125 -2.512 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.421 8.140 -3.997 1.00 0.00 N ATOM 0 H ASN A 19 78.158 7.838 -4.563 1.00 0.00 H new ATOM 0 HA ASN A 19 77.500 5.646 -2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 19 75.996 6.330 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.407 5.454 -3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.047 9.009 -3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 19 73.967 7.696 -4.795 1.00 0.00 H new ATOM 266 N LEU A 20 78.258 3.872 -4.169 1.00 0.00 N ATOM 267 CA LEU A 20 78.956 2.888 -5.044 1.00 0.00 C ATOM 268 C LEU A 20 78.399 1.482 -4.819 1.00 0.00 C ATOM 269 O LEU A 20 77.469 1.281 -4.061 1.00 0.00 O ATOM 270 CB LEU A 20 80.426 2.956 -4.630 1.00 0.00 C ATOM 271 CG LEU A 20 80.536 2.908 -3.106 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.124 1.522 -2.606 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.983 3.186 -2.695 1.00 0.00 C ATOM 0 H LEU A 20 77.857 3.486 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 20 78.820 3.114 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.976 2.124 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.878 3.873 -5.008 1.00 0.00 H new ATOM 0 HG LEU A 20 79.879 3.661 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.203 1.489 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.094 1.320 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 20 80.781 0.768 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 20 82.065 3.153 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.637 2.431 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 20 82.279 4.173 -3.051 1.00 0.00 H new ATOM 285 N PHE A 21 78.963 0.508 -5.479 1.00 0.00 N ATOM 286 CA PHE A 21 78.470 -0.888 -5.315 1.00 0.00 C ATOM 287 C PHE A 21 79.414 -1.691 -4.416 1.00 0.00 C ATOM 288 O PHE A 21 80.529 -1.288 -4.144 1.00 0.00 O ATOM 289 CB PHE A 21 78.456 -1.468 -6.729 1.00 0.00 C ATOM 290 CG PHE A 21 77.531 -2.660 -6.776 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.177 -2.483 -7.083 1.00 0.00 C ATOM 292 CD2 PHE A 21 78.029 -3.942 -6.516 1.00 0.00 C ATOM 293 CE1 PHE A 21 75.319 -3.589 -7.128 1.00 0.00 C ATOM 294 CE2 PHE A 21 77.171 -5.048 -6.562 1.00 0.00 C ATOM 295 CZ PHE A 21 75.816 -4.872 -6.867 1.00 0.00 C ATOM 0 H PHE A 21 79.744 0.619 -6.125 1.00 0.00 H new ATOM 0 HA PHE A 21 77.487 -0.923 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 21 78.127 -0.711 -7.441 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.463 -1.764 -7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 21 75.794 -1.494 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 21 79.074 -4.078 -6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 21 74.274 -3.452 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 21 77.555 -6.037 -6.362 1.00 0.00 H new ATOM 0 HZ PHE A 21 75.154 -5.725 -6.901 1.00 0.00 H new ATOM 305 N ILE A 22 78.970 -2.833 -3.969 1.00 0.00 N ATOM 306 CA ILE A 22 79.820 -3.690 -3.095 1.00 0.00 C ATOM 307 C ILE A 22 79.553 -5.159 -3.418 1.00 0.00 C ATOM 308 O ILE A 22 78.529 -5.504 -3.973 1.00 0.00 O ATOM 309 CB ILE A 22 79.395 -3.363 -1.663 1.00 0.00 C ATOM 310 CG1 ILE A 22 79.889 -1.962 -1.293 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.003 -4.386 -0.704 1.00 0.00 C ATOM 312 CD1 ILE A 22 79.729 -1.745 0.213 1.00 0.00 C ATOM 0 H ILE A 22 78.046 -3.213 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 22 80.885 -3.510 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 22 78.308 -3.398 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 22 80.935 -1.846 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 22 79.324 -1.209 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.700 -4.153 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.653 -5.384 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.090 -4.352 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.081 -0.747 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 22 78.678 -1.843 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.314 -2.490 0.752 1.00 0.00 H new ATOM 324 N GLY A 23 80.464 -6.026 -3.086 1.00 0.00 N ATOM 325 CA GLY A 23 80.250 -7.467 -3.392 1.00 0.00 C ATOM 326 C GLY A 23 80.942 -8.333 -2.342 1.00 0.00 C ATOM 327 O GLY A 23 81.539 -7.839 -1.406 1.00 0.00 O ATOM 0 H GLY A 23 81.343 -5.803 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.183 -7.688 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.642 -7.699 -4.382 1.00 0.00 H new ATOM 331 N ASN A 24 80.862 -9.626 -2.497 1.00 0.00 N ATOM 332 CA ASN A 24 81.509 -10.551 -1.519 1.00 0.00 C ATOM 333 C ASN A 24 80.728 -10.561 -0.204 1.00 0.00 C ATOM 334 O ASN A 24 81.274 -10.327 0.856 1.00 0.00 O ATOM 335 CB ASN A 24 82.920 -9.997 -1.304 1.00 0.00 C ATOM 336 CG ASN A 24 83.879 -11.147 -0.987 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.740 -11.013 -0.016 1.00 0.00 O flip ATOM 338 ND2 ASN A 24 83.843 -12.178 -1.630 1.00 0.00 N flip ATOM 0 H ASN A 24 80.373 -10.086 -3.265 1.00 0.00 H new ATOM 0 HA ASN A 24 81.532 -11.578 -1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.254 -9.467 -2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.918 -9.276 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 24 83.170 -12.282 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.486 -12.939 -1.410 1.00 0.00 H new ATOM 345 N LEU A 25 79.454 -10.836 -0.264 1.00 0.00 N ATOM 346 CA LEU A 25 78.639 -10.866 0.983 1.00 0.00 C ATOM 347 C LEU A 25 78.393 -12.311 1.413 1.00 0.00 C ATOM 348 O LEU A 25 77.910 -13.125 0.651 1.00 0.00 O ATOM 349 CB LEU A 25 77.321 -10.181 0.618 1.00 0.00 C ATOM 350 CG LEU A 25 77.549 -8.679 0.450 1.00 0.00 C ATOM 351 CD1 LEU A 25 76.199 -7.968 0.333 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.303 -8.136 1.667 1.00 0.00 C ATOM 0 H LEU A 25 78.942 -11.041 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 25 79.137 -10.366 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.924 -10.604 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.579 -10.361 1.396 1.00 0.00 H new ATOM 0 HG LEU A 25 78.135 -8.501 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 25 76.361 -6.897 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 25 75.659 -8.352 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 25 75.614 -8.148 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.465 -7.065 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 25 77.716 -8.315 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.265 -8.641 1.754 1.00 0.00 H new ATOM 364 N ASN A 26 78.727 -12.632 2.630 1.00 0.00 N ATOM 365 CA ASN A 26 78.519 -14.021 3.125 1.00 0.00 C ATOM 366 C ASN A 26 77.170 -14.563 2.644 1.00 0.00 C ATOM 367 O ASN A 26 76.129 -14.122 3.087 1.00 0.00 O ATOM 368 CB ASN A 26 78.534 -13.890 4.645 1.00 0.00 C ATOM 369 CG ASN A 26 78.464 -15.278 5.282 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.517 -16.010 5.070 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.434 -15.676 6.060 1.00 0.00 N ATOM 0 H ASN A 26 79.137 -11.989 3.307 1.00 0.00 H new ATOM 0 HA ASN A 26 79.279 -14.712 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.440 -13.377 4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.690 -13.284 4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.397 -16.600 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 26 80.229 -15.062 6.238 1.00 0.00 H new ATOM 378 N PRO A 27 77.239 -15.509 1.746 1.00 0.00 N ATOM 379 CA PRO A 27 76.009 -16.126 1.191 1.00 0.00 C ATOM 380 C PRO A 27 75.358 -17.042 2.232 1.00 0.00 C ATOM 381 O PRO A 27 74.188 -17.360 2.147 1.00 0.00 O ATOM 382 CB PRO A 27 76.518 -16.929 -0.002 1.00 0.00 C ATOM 383 CG PRO A 27 77.952 -17.218 0.308 1.00 0.00 C ATOM 384 CD PRO A 27 78.456 -16.089 1.170 1.00 0.00 C ATOM 0 HA PRO A 27 75.249 -15.396 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.949 -17.850 -0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.421 -16.363 -0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.049 -18.172 0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.537 -17.293 -0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.131 -16.450 1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 27 79.008 -15.355 0.583 1.00 0.00 H new ATOM 392 N ASN A 28 76.105 -17.465 3.215 1.00 0.00 N ATOM 393 CA ASN A 28 75.528 -18.354 4.261 1.00 0.00 C ATOM 394 C ASN A 28 74.859 -17.513 5.350 1.00 0.00 C ATOM 395 O ASN A 28 74.202 -18.028 6.233 1.00 0.00 O ATOM 396 CB ASN A 28 76.719 -19.123 4.833 1.00 0.00 C ATOM 397 CG ASN A 28 77.124 -20.234 3.863 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.281 -20.921 3.322 1.00 0.00 O ATOM 399 ND2 ASN A 28 78.390 -20.440 3.617 1.00 0.00 N ATOM 0 H ASN A 28 77.091 -17.233 3.338 1.00 0.00 H new ATOM 0 HA ASN A 28 74.768 -19.025 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.557 -18.446 4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.459 -19.549 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.671 -21.178 2.971 1.00 0.00 H new ATOM 0 HD22 ASN A 28 79.098 -19.863 4.071 1.00 0.00 H new ATOM 406 N LYS A 29 75.021 -16.219 5.290 1.00 0.00 N ATOM 407 CA LYS A 29 74.396 -15.339 6.314 1.00 0.00 C ATOM 408 C LYS A 29 73.328 -14.458 5.662 1.00 0.00 C ATOM 409 O LYS A 29 72.797 -14.782 4.618 1.00 0.00 O ATOM 410 CB LYS A 29 75.548 -14.488 6.851 1.00 0.00 C ATOM 411 CG LYS A 29 75.898 -14.942 8.270 1.00 0.00 C ATOM 412 CD LYS A 29 77.408 -14.833 8.484 1.00 0.00 C ATOM 413 CE LYS A 29 77.729 -15.026 9.968 1.00 0.00 C ATOM 414 NZ LYS A 29 79.200 -14.820 10.073 1.00 0.00 N ATOM 0 H LYS A 29 75.561 -15.734 4.573 1.00 0.00 H new ATOM 0 HA LYS A 29 73.902 -15.901 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.418 -14.584 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.266 -13.435 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.371 -14.327 9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.572 -15.970 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 29 77.926 -15.585 7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.764 -13.859 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.185 -14.311 10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.445 -16.022 10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 79.536 -15.178 10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 79.678 -15.332 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 79.415 -13.805 9.998 1.00 0.00 H new ATOM 428 N SER A 30 73.007 -13.349 6.266 1.00 0.00 N ATOM 429 CA SER A 30 71.972 -12.455 5.675 1.00 0.00 C ATOM 430 C SER A 30 72.608 -11.165 5.159 1.00 0.00 C ATOM 431 O SER A 30 73.599 -10.691 5.685 1.00 0.00 O ATOM 432 CB SER A 30 71.013 -12.142 6.817 1.00 0.00 C ATOM 433 OG SER A 30 70.750 -13.330 7.552 1.00 0.00 O ATOM 0 H SER A 30 73.415 -13.023 7.142 1.00 0.00 H new ATOM 0 HA SER A 30 71.469 -12.925 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.444 -11.384 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.083 -11.731 6.423 1.00 0.00 H new ATOM 0 HG SER A 30 70.135 -13.130 8.288 1.00 0.00 H new ATOM 439 N VAL A 31 72.037 -10.582 4.144 1.00 0.00 N ATOM 440 CA VAL A 31 72.607 -9.317 3.608 1.00 0.00 C ATOM 441 C VAL A 31 72.385 -8.193 4.620 1.00 0.00 C ATOM 442 O VAL A 31 73.237 -7.351 4.823 1.00 0.00 O ATOM 443 CB VAL A 31 71.852 -9.036 2.307 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.669 -8.071 1.446 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.640 -10.340 1.533 1.00 0.00 C ATOM 0 H VAL A 31 71.204 -10.925 3.664 1.00 0.00 H new ATOM 0 HA VAL A 31 73.680 -9.389 3.427 1.00 0.00 H new ATOM 0 HB VAL A 31 70.884 -8.595 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.134 -7.869 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.820 -7.138 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.636 -8.518 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.102 -10.131 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.607 -10.785 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.060 -11.034 2.141 1.00 0.00 H new ATOM 455 N ALA A 32 71.251 -8.180 5.266 1.00 0.00 N ATOM 456 CA ALA A 32 70.985 -7.118 6.275 1.00 0.00 C ATOM 457 C ALA A 32 72.077 -7.147 7.343 1.00 0.00 C ATOM 458 O ALA A 32 72.484 -6.125 7.863 1.00 0.00 O ATOM 459 CB ALA A 32 69.626 -7.474 6.881 1.00 0.00 C ATOM 0 H ALA A 32 70.499 -8.858 5.139 1.00 0.00 H new ATOM 0 HA ALA A 32 70.980 -6.118 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.360 -6.735 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.869 -7.481 6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.680 -8.460 7.342 1.00 0.00 H new ATOM 465 N GLU A 33 72.566 -8.313 7.663 1.00 0.00 N ATOM 466 CA GLU A 33 73.643 -8.416 8.683 1.00 0.00 C ATOM 467 C GLU A 33 74.962 -7.947 8.069 1.00 0.00 C ATOM 468 O GLU A 33 75.799 -7.371 8.733 1.00 0.00 O ATOM 469 CB GLU A 33 73.705 -9.900 9.047 1.00 0.00 C ATOM 470 CG GLU A 33 72.318 -10.377 9.480 1.00 0.00 C ATOM 471 CD GLU A 33 72.081 -9.995 10.943 1.00 0.00 C ATOM 472 OE1 GLU A 33 71.698 -8.861 11.183 1.00 0.00 O ATOM 473 OE2 GLU A 33 72.285 -10.841 11.797 1.00 0.00 O ATOM 0 H GLU A 33 72.264 -9.200 7.260 1.00 0.00 H new ATOM 0 HA GLU A 33 73.457 -7.800 9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.051 -10.481 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.423 -10.058 9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.553 -9.927 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.238 -11.457 9.358 1.00 0.00 H new ATOM 480 N LEU A 34 75.142 -8.174 6.795 1.00 0.00 N ATOM 481 CA LEU A 34 76.389 -7.727 6.130 1.00 0.00 C ATOM 482 C LEU A 34 76.431 -6.201 6.125 1.00 0.00 C ATOM 483 O LEU A 34 77.476 -5.592 6.256 1.00 0.00 O ATOM 484 CB LEU A 34 76.278 -8.268 4.706 1.00 0.00 C ATOM 485 CG LEU A 34 76.580 -9.767 4.701 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.763 -10.448 3.600 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.070 -9.984 4.436 1.00 0.00 C ATOM 0 H LEU A 34 74.474 -8.651 6.189 1.00 0.00 H new ATOM 0 HA LEU A 34 77.294 -8.078 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.277 -8.087 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.975 -7.744 4.052 1.00 0.00 H new ATOM 0 HG LEU A 34 76.315 -10.195 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 34 75.978 -11.517 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.700 -10.292 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.028 -10.021 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.287 -11.052 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.334 -9.557 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.653 -9.498 5.218 1.00 0.00 H new ATOM 499 N LYS A 35 75.294 -5.582 5.983 1.00 0.00 N ATOM 500 CA LYS A 35 75.249 -4.095 5.978 1.00 0.00 C ATOM 501 C LYS A 35 75.624 -3.566 7.361 1.00 0.00 C ATOM 502 O LYS A 35 76.526 -2.765 7.508 1.00 0.00 O ATOM 503 CB LYS A 35 73.800 -3.743 5.636 1.00 0.00 C ATOM 504 CG LYS A 35 73.630 -3.702 4.116 1.00 0.00 C ATOM 505 CD LYS A 35 73.599 -5.132 3.566 1.00 0.00 C ATOM 506 CE LYS A 35 73.746 -5.102 2.043 1.00 0.00 C ATOM 507 NZ LYS A 35 74.879 -4.171 1.781 1.00 0.00 N ATOM 0 H LYS A 35 74.391 -6.043 5.870 1.00 0.00 H new ATOM 0 HA LYS A 35 75.947 -3.655 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.124 -4.480 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.537 -2.777 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.708 -3.181 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.450 -3.144 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 35 74.404 -5.719 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 35 72.663 -5.618 3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 35 73.953 -6.096 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 35 72.830 -4.753 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 75.467 -4.548 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 74.507 -3.239 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 75.455 -4.075 2.641 1.00 0.00 H new ATOM 521 N VAL A 36 74.949 -4.023 8.380 1.00 0.00 N ATOM 522 CA VAL A 36 75.280 -3.562 9.759 1.00 0.00 C ATOM 523 C VAL A 36 76.770 -3.744 10.014 1.00 0.00 C ATOM 524 O VAL A 36 77.393 -2.943 10.671 1.00 0.00 O ATOM 525 CB VAL A 36 74.479 -4.467 10.683 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.549 -3.929 12.113 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.020 -4.512 10.224 1.00 0.00 C ATOM 0 H VAL A 36 74.184 -4.695 8.318 1.00 0.00 H new ATOM 0 HA VAL A 36 75.043 -2.509 9.913 1.00 0.00 H new ATOM 0 HB VAL A 36 74.897 -5.473 10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.975 -4.578 12.774 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.588 -3.904 12.442 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.134 -2.922 12.143 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.449 -5.161 10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.599 -3.507 10.250 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.970 -4.900 9.207 1.00 0.00 H new ATOM 537 N ALA A 37 77.351 -4.787 9.491 1.00 0.00 N ATOM 538 CA ALA A 37 78.805 -4.995 9.704 1.00 0.00 C ATOM 539 C ALA A 37 79.563 -3.856 9.035 1.00 0.00 C ATOM 540 O ALA A 37 80.538 -3.352 9.554 1.00 0.00 O ATOM 541 CB ALA A 37 79.127 -6.334 9.038 1.00 0.00 C ATOM 0 H ALA A 37 76.884 -5.499 8.929 1.00 0.00 H new ATOM 0 HA ALA A 37 79.086 -5.008 10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.188 -6.553 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.539 -7.124 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.884 -6.280 7.977 1.00 0.00 H new ATOM 547 N ILE A 38 79.103 -3.433 7.894 1.00 0.00 N ATOM 548 CA ILE A 38 79.776 -2.307 7.196 1.00 0.00 C ATOM 549 C ILE A 38 79.373 -0.989 7.855 1.00 0.00 C ATOM 550 O ILE A 38 80.106 -0.020 7.832 1.00 0.00 O ATOM 551 CB ILE A 38 79.270 -2.366 5.754 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.695 -3.692 5.116 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.864 -1.205 4.956 1.00 0.00 C ATOM 554 CD1 ILE A 38 81.176 -3.949 5.405 1.00 0.00 C ATOM 0 H ILE A 38 78.290 -3.819 7.414 1.00 0.00 H new ATOM 0 HA ILE A 38 80.863 -2.376 7.239 1.00 0.00 H new ATOM 0 HB ILE A 38 78.183 -2.292 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 38 79.090 -4.508 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.524 -3.661 4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.503 -1.248 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.562 -0.260 5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.952 -1.278 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 38 81.477 -4.893 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.774 -3.139 4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 38 81.333 -3.999 6.482 1.00 0.00 H new ATOM 566 N SER A 39 78.216 -0.947 8.463 1.00 0.00 N ATOM 567 CA SER A 39 77.786 0.312 9.135 1.00 0.00 C ATOM 568 C SER A 39 78.492 0.426 10.484 1.00 0.00 C ATOM 569 O SER A 39 78.806 1.502 10.956 1.00 0.00 O ATOM 570 CB SER A 39 76.277 0.168 9.325 1.00 0.00 C ATOM 571 OG SER A 39 75.630 0.295 8.065 1.00 0.00 O ATOM 0 H SER A 39 77.557 -1.723 8.523 1.00 0.00 H new ATOM 0 HA SER A 39 78.031 1.205 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.046 -0.800 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.911 0.930 10.013 1.00 0.00 H new ATOM 0 HG SER A 39 75.714 -0.545 7.568 1.00 0.00 H new ATOM 577 N GLU A 40 78.758 -0.690 11.100 1.00 0.00 N ATOM 578 CA GLU A 40 79.452 -0.679 12.411 1.00 0.00 C ATOM 579 C GLU A 40 80.948 -0.488 12.194 1.00 0.00 C ATOM 580 O GLU A 40 81.609 0.222 12.926 1.00 0.00 O ATOM 581 CB GLU A 40 79.162 -2.049 13.004 1.00 0.00 C ATOM 582 CG GLU A 40 78.775 -1.902 14.476 1.00 0.00 C ATOM 583 CD GLU A 40 79.715 -2.748 15.338 1.00 0.00 C ATOM 584 OE1 GLU A 40 80.287 -3.687 14.809 1.00 0.00 O ATOM 585 OE2 GLU A 40 79.845 -2.442 16.512 1.00 0.00 O ATOM 0 H GLU A 40 78.521 -1.617 10.746 1.00 0.00 H new ATOM 0 HA GLU A 40 79.119 0.127 13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.355 -2.531 12.452 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.039 -2.689 12.911 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.833 -0.856 14.775 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.743 -2.220 14.625 1.00 0.00 H new ATOM 592 N LEU A 41 81.481 -1.108 11.184 1.00 0.00 N ATOM 593 CA LEU A 41 82.933 -0.953 10.904 1.00 0.00 C ATOM 594 C LEU A 41 83.210 0.485 10.486 1.00 0.00 C ATOM 595 O LEU A 41 84.249 1.040 10.783 1.00 0.00 O ATOM 596 CB LEU A 41 83.233 -1.918 9.754 1.00 0.00 C ATOM 597 CG LEU A 41 84.635 -2.501 9.934 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.567 -4.028 9.865 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.550 -1.981 8.823 1.00 0.00 C ATOM 0 H LEU A 41 80.975 -1.716 10.539 1.00 0.00 H new ATOM 0 HA LEU A 41 83.554 -1.171 11.773 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.494 -2.719 9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.164 -1.397 8.799 1.00 0.00 H new ATOM 0 HG LEU A 41 85.031 -2.199 10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.567 -4.443 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.916 -4.399 10.656 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.170 -4.331 8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.550 -2.396 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.153 -2.283 7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.600 -0.893 8.872 1.00 0.00 H new ATOM 611 N PHE A 42 82.279 1.097 9.811 1.00 0.00 N ATOM 612 CA PHE A 42 82.475 2.502 9.388 1.00 0.00 C ATOM 613 C PHE A 42 82.129 3.430 10.551 1.00 0.00 C ATOM 614 O PHE A 42 82.570 4.560 10.614 1.00 0.00 O ATOM 615 CB PHE A 42 81.493 2.690 8.239 1.00 0.00 C ATOM 616 CG PHE A 42 82.058 2.076 6.980 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.401 0.719 6.956 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.234 2.863 5.835 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.921 0.148 5.788 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.753 2.290 4.666 1.00 0.00 C ATOM 621 CZ PHE A 42 83.096 0.934 4.643 1.00 0.00 C ATOM 0 H PHE A 42 81.390 0.680 9.535 1.00 0.00 H new ATOM 0 HA PHE A 42 83.499 2.725 9.089 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.538 2.226 8.485 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.300 3.751 8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.264 0.112 7.839 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.970 3.910 5.853 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.187 -0.899 5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.888 2.896 3.782 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.496 0.493 3.742 1.00 0.00 H new ATOM 631 N ALA A 43 81.345 2.952 11.481 1.00 0.00 N ATOM 632 CA ALA A 43 80.972 3.797 12.650 1.00 0.00 C ATOM 633 C ALA A 43 82.108 3.792 13.674 1.00 0.00 C ATOM 634 O ALA A 43 82.210 4.668 14.511 1.00 0.00 O ATOM 635 CB ALA A 43 79.719 3.142 13.232 1.00 0.00 C ATOM 0 H ALA A 43 80.947 2.013 11.480 1.00 0.00 H new ATOM 0 HA ALA A 43 80.791 4.836 12.374 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.382 3.709 14.100 1.00 0.00 H new ATOM 0 HB2 ALA A 43 78.931 3.130 12.478 1.00 0.00 H new ATOM 0 HB3 ALA A 43 79.949 2.120 13.533 1.00 0.00 H new ATOM 641 N LYS A 44 82.965 2.810 13.611 1.00 0.00 N ATOM 642 CA LYS A 44 84.099 2.743 14.575 1.00 0.00 C ATOM 643 C LYS A 44 85.400 3.155 13.882 1.00 0.00 C ATOM 644 O LYS A 44 86.350 3.568 14.517 1.00 0.00 O ATOM 645 CB LYS A 44 84.161 1.278 15.011 1.00 0.00 C ATOM 646 CG LYS A 44 83.188 1.047 16.168 1.00 0.00 C ATOM 647 CD LYS A 44 83.573 -0.233 16.913 1.00 0.00 C ATOM 648 CE LYS A 44 83.565 -1.413 15.939 1.00 0.00 C ATOM 649 NZ LYS A 44 82.179 -1.954 16.005 1.00 0.00 N ATOM 0 H LYS A 44 82.928 2.050 12.932 1.00 0.00 H new ATOM 0 HA LYS A 44 83.964 3.413 15.424 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.908 0.628 14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.175 1.022 15.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 83.209 1.897 16.850 1.00 0.00 H new ATOM 0 HG3 LYS A 44 82.169 0.967 15.789 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.561 -0.123 17.360 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.873 -0.416 17.728 1.00 0.00 H new ATOM 0 HE2 LYS A 44 83.816 -1.093 14.928 1.00 0.00 H new ATOM 0 HE3 LYS A 44 84.298 -2.167 16.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 82.058 -2.689 15.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 82.011 -2.365 16.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 81.498 -1.186 15.836 1.00 0.00 H new ATOM 663 N ASN A 45 85.450 3.045 12.582 1.00 0.00 N ATOM 664 CA ASN A 45 86.685 3.431 11.846 1.00 0.00 C ATOM 665 C ASN A 45 86.745 4.951 11.688 1.00 0.00 C ATOM 666 O ASN A 45 87.815 5.521 11.637 1.00 0.00 O ATOM 667 CB ASN A 45 86.552 2.756 10.484 1.00 0.00 C ATOM 668 CG ASN A 45 87.249 1.394 10.516 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.205 1.171 9.802 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.805 0.469 11.321 1.00 0.00 N ATOM 0 H ASN A 45 84.687 2.704 11.998 1.00 0.00 H new ATOM 0 HA ASN A 45 87.594 3.128 12.366 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.499 2.631 10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.994 3.384 9.711 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.261 -0.443 11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.002 0.657 11.921 1.00 0.00 H new ATOM 677 N ASP A 46 85.587 5.582 11.596 1.00 0.00 N ATOM 678 CA ASP A 46 85.464 7.076 11.427 1.00 0.00 C ATOM 679 C ASP A 46 84.897 7.361 10.046 1.00 0.00 C ATOM 680 O ASP A 46 85.152 8.386 9.446 1.00 0.00 O ATOM 681 CB ASP A 46 86.852 7.705 11.574 1.00 0.00 C ATOM 682 CG ASP A 46 86.725 9.228 11.600 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.140 9.738 12.542 1.00 0.00 O ATOM 684 OD2 ASP A 46 87.215 9.860 10.678 1.00 0.00 O ATOM 0 H ASP A 46 84.688 5.101 11.633 1.00 0.00 H new ATOM 0 HA ASP A 46 84.801 7.498 12.182 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.326 7.354 12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.491 7.397 10.746 1.00 0.00 H new ATOM 689 N LEU A 47 84.120 6.449 9.548 1.00 0.00 N ATOM 690 CA LEU A 47 83.509 6.629 8.213 1.00 0.00 C ATOM 691 C LEU A 47 82.172 7.354 8.364 1.00 0.00 C ATOM 692 O LEU A 47 81.961 8.098 9.300 1.00 0.00 O ATOM 693 CB LEU A 47 83.317 5.200 7.690 1.00 0.00 C ATOM 694 CG LEU A 47 84.372 4.900 6.624 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.148 5.804 5.412 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.765 5.161 7.202 1.00 0.00 C ATOM 0 H LEU A 47 83.880 5.575 10.017 1.00 0.00 H new ATOM 0 HA LEU A 47 84.115 7.227 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.401 4.487 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.318 5.087 7.270 1.00 0.00 H new ATOM 0 HG LEU A 47 84.292 3.857 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.901 5.589 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.155 5.621 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.228 6.847 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 47 86.519 4.948 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.842 6.204 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.927 4.517 8.066 1.00 0.00 H new ATOM 708 N ALA A 48 81.270 7.144 7.456 1.00 0.00 N ATOM 709 CA ALA A 48 79.946 7.820 7.549 1.00 0.00 C ATOM 710 C ALA A 48 78.955 7.161 6.591 1.00 0.00 C ATOM 711 O ALA A 48 78.477 7.770 5.654 1.00 0.00 O ATOM 712 CB ALA A 48 80.208 9.270 7.142 1.00 0.00 C ATOM 0 H ALA A 48 81.389 6.532 6.649 1.00 0.00 H new ATOM 0 HA ALA A 48 79.516 7.754 8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.276 9.834 7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.933 9.714 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.601 9.297 6.126 1.00 0.00 H new ATOM 718 N VAL A 49 78.645 5.918 6.823 1.00 0.00 N ATOM 719 CA VAL A 49 77.695 5.206 5.947 1.00 0.00 C ATOM 720 C VAL A 49 76.325 5.868 6.014 1.00 0.00 C ATOM 721 O VAL A 49 75.694 5.936 7.051 1.00 0.00 O ATOM 722 CB VAL A 49 77.646 3.787 6.504 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.972 3.080 6.222 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.409 3.841 8.015 1.00 0.00 C ATOM 0 H VAL A 49 79.018 5.364 7.594 1.00 0.00 H new ATOM 0 HA VAL A 49 77.996 5.220 4.899 1.00 0.00 H new ATOM 0 HB VAL A 49 76.834 3.238 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.936 2.066 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.142 3.041 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.785 3.628 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.374 2.827 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.221 4.391 8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.463 4.344 8.217 1.00 0.00 H new ATOM 734 N VAL A 50 75.878 6.365 4.907 1.00 0.00 N ATOM 735 CA VAL A 50 74.553 7.049 4.859 1.00 0.00 C ATOM 736 C VAL A 50 73.457 6.051 4.479 1.00 0.00 C ATOM 737 O VAL A 50 72.379 6.057 5.041 1.00 0.00 O ATOM 738 CB VAL A 50 74.702 8.127 3.781 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.653 9.219 3.991 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.094 8.754 3.869 1.00 0.00 C ATOM 0 H VAL A 50 76.375 6.330 4.017 1.00 0.00 H new ATOM 0 HA VAL A 50 74.271 7.475 5.822 1.00 0.00 H new ATOM 0 HB VAL A 50 74.564 7.669 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.764 9.983 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.656 8.783 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.790 9.671 4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.197 9.520 3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.228 9.205 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.850 7.984 3.717 1.00 0.00 H new ATOM 750 N ASP A 51 73.718 5.194 3.528 1.00 0.00 N ATOM 751 CA ASP A 51 72.681 4.202 3.122 1.00 0.00 C ATOM 752 C ASP A 51 73.329 2.866 2.745 1.00 0.00 C ATOM 753 O ASP A 51 74.495 2.798 2.416 1.00 0.00 O ATOM 754 CB ASP A 51 71.992 4.825 1.906 1.00 0.00 C ATOM 755 CG ASP A 51 70.533 5.132 2.249 1.00 0.00 C ATOM 756 OD1 ASP A 51 69.768 4.192 2.390 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.206 6.301 2.364 1.00 0.00 O ATOM 0 H ASP A 51 74.599 5.138 3.017 1.00 0.00 H new ATOM 0 HA ASP A 51 71.979 3.992 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.508 5.739 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.042 4.143 1.057 1.00 0.00 H new ATOM 762 N VAL A 52 72.573 1.804 2.794 1.00 0.00 N ATOM 763 CA VAL A 52 73.127 0.463 2.444 1.00 0.00 C ATOM 764 C VAL A 52 72.048 -0.372 1.747 1.00 0.00 C ATOM 765 O VAL A 52 70.867 -0.141 1.917 1.00 0.00 O ATOM 766 CB VAL A 52 73.535 -0.204 3.772 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.059 -0.286 3.852 1.00 0.00 C ATOM 768 CG2 VAL A 52 73.012 0.592 4.978 1.00 0.00 C ATOM 0 H VAL A 52 71.589 1.806 3.063 1.00 0.00 H new ATOM 0 HA VAL A 52 73.979 0.546 1.770 1.00 0.00 H new ATOM 0 HB VAL A 52 73.099 -1.202 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.349 -0.758 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.436 -0.877 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.480 0.718 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 52 73.316 0.097 5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 52 73.425 1.601 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 52 71.924 0.644 4.935 1.00 0.00 H new ATOM 778 N ARG A 53 72.441 -1.341 0.965 1.00 0.00 N ATOM 779 CA ARG A 53 71.429 -2.185 0.264 1.00 0.00 C ATOM 780 C ARG A 53 72.072 -3.485 -0.227 1.00 0.00 C ATOM 781 O ARG A 53 73.274 -3.648 -0.183 1.00 0.00 O ATOM 782 CB ARG A 53 70.958 -1.342 -0.921 1.00 0.00 C ATOM 783 CG ARG A 53 69.429 -1.315 -0.952 1.00 0.00 C ATOM 784 CD ARG A 53 68.938 -1.756 -2.334 1.00 0.00 C ATOM 785 NE ARG A 53 67.536 -2.207 -2.118 1.00 0.00 N ATOM 786 CZ ARG A 53 66.607 -1.886 -2.977 1.00 0.00 C ATOM 787 NH1 ARG A 53 66.377 -2.654 -4.006 1.00 0.00 N ATOM 788 NH2 ARG A 53 65.909 -0.797 -2.806 1.00 0.00 N ATOM 0 H ARG A 53 73.414 -1.585 0.781 1.00 0.00 H new ATOM 0 HA ARG A 53 70.604 -2.465 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.349 -0.328 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.344 -1.757 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.027 -1.976 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.068 -0.311 -0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 53 68.983 -0.935 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.555 -2.561 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 53 67.301 -2.767 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 53 66.923 -3.505 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.651 -2.403 -4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.089 -0.197 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.183 -0.546 -3.477 1.00 0.00 H new ATOM 802 N THR A 54 71.280 -4.414 -0.686 1.00 0.00 N ATOM 803 CA THR A 54 71.838 -5.699 -1.170 1.00 0.00 C ATOM 804 C THR A 54 72.147 -5.612 -2.668 1.00 0.00 C ATOM 805 O THR A 54 71.696 -4.719 -3.356 1.00 0.00 O ATOM 806 CB THR A 54 70.732 -6.719 -0.907 1.00 0.00 C ATOM 807 OG1 THR A 54 69.710 -6.571 -1.883 1.00 0.00 O ATOM 808 CG2 THR A 54 70.145 -6.499 0.489 1.00 0.00 C ATOM 0 H THR A 54 70.265 -4.334 -0.745 1.00 0.00 H new ATOM 0 HA THR A 54 72.771 -5.965 -0.673 1.00 0.00 H new ATOM 0 HB THR A 54 71.148 -7.725 -0.965 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.001 -7.226 -1.716 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.357 -7.229 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.929 -6.618 1.236 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.730 -5.493 0.555 1.00 0.00 H new ATOM 816 N GLY A 55 72.917 -6.535 -3.176 1.00 0.00 N ATOM 817 CA GLY A 55 73.262 -6.516 -4.622 1.00 0.00 C ATOM 818 C GLY A 55 72.785 -7.809 -5.280 1.00 0.00 C ATOM 819 O GLY A 55 73.019 -8.894 -4.785 1.00 0.00 O ATOM 0 H GLY A 55 73.324 -7.306 -2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.797 -5.657 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.339 -6.408 -4.748 1.00 0.00 H new ATOM 823 N THR A 56 72.116 -7.696 -6.390 1.00 0.00 N ATOM 824 CA THR A 56 71.613 -8.910 -7.096 1.00 0.00 C ATOM 825 C THR A 56 70.684 -9.712 -6.181 1.00 0.00 C ATOM 826 O THR A 56 69.477 -9.606 -6.264 1.00 0.00 O ATOM 827 CB THR A 56 72.864 -9.720 -7.443 1.00 0.00 C ATOM 828 OG1 THR A 56 73.694 -8.956 -8.307 1.00 0.00 O ATOM 829 CG2 THR A 56 72.456 -11.018 -8.141 1.00 0.00 C ATOM 0 H THR A 56 71.893 -6.810 -6.844 1.00 0.00 H new ATOM 0 HA THR A 56 71.036 -8.658 -7.986 1.00 0.00 H new ATOM 0 HB THR A 56 73.409 -9.958 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.633 -9.094 -8.065 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.348 -11.594 -8.388 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.818 -11.603 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.911 -10.784 -9.055 1.00 0.00 H new ATOM 837 N ASN A 57 71.233 -10.516 -5.311 1.00 0.00 N ATOM 838 CA ASN A 57 70.368 -11.318 -4.400 1.00 0.00 C ATOM 839 C ASN A 57 71.217 -12.056 -3.361 1.00 0.00 C ATOM 840 O ASN A 57 71.554 -13.212 -3.528 1.00 0.00 O ATOM 841 CB ASN A 57 69.652 -12.316 -5.312 1.00 0.00 C ATOM 842 CG ASN A 57 68.817 -13.275 -4.463 1.00 0.00 C ATOM 843 OD1 ASN A 57 69.242 -14.376 -4.173 1.00 0.00 O ATOM 844 ND2 ASN A 57 67.637 -12.903 -4.049 1.00 0.00 N ATOM 0 H ASN A 57 72.237 -10.652 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 57 69.669 -10.693 -3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 57 69.012 -11.786 -6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.380 -12.874 -5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 57 67.072 -13.536 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 57 67.279 -11.979 -4.292 1.00 0.00 H new ATOM 851 N ARG A 58 71.556 -11.402 -2.284 1.00 0.00 N ATOM 852 CA ARG A 58 72.372 -12.071 -1.229 1.00 0.00 C ATOM 853 C ARG A 58 73.774 -12.392 -1.751 1.00 0.00 C ATOM 854 O ARG A 58 74.454 -13.255 -1.231 1.00 0.00 O ATOM 855 CB ARG A 58 71.615 -13.356 -0.904 1.00 0.00 C ATOM 856 CG ARG A 58 71.653 -13.606 0.604 1.00 0.00 C ATOM 857 CD ARG A 58 70.225 -13.625 1.155 1.00 0.00 C ATOM 858 NE ARG A 58 69.550 -14.738 0.433 1.00 0.00 N ATOM 859 CZ ARG A 58 68.995 -15.709 1.104 1.00 0.00 C ATOM 860 NH1 ARG A 58 69.736 -16.538 1.786 1.00 0.00 N ATOM 861 NH2 ARG A 58 67.697 -15.853 1.092 1.00 0.00 N ATOM 0 H ARG A 58 71.304 -10.433 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 58 72.505 -11.438 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 58 70.582 -13.278 -1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 58 72.062 -14.197 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 58 72.148 -14.554 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.234 -12.827 1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 58 70.219 -13.792 2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 58 69.720 -12.675 0.977 1.00 0.00 H new ATOM 0 HE ARG A 58 69.521 -14.741 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 58 70.750 -16.427 1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 58 69.302 -17.297 2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 58 67.117 -15.206 0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 58 67.263 -16.612 1.617 1.00 0.00 H new ATOM 875 N LYS A 59 74.216 -11.705 -2.764 1.00 0.00 N ATOM 876 CA LYS A 59 75.578 -11.978 -3.303 1.00 0.00 C ATOM 877 C LYS A 59 76.434 -10.714 -3.220 1.00 0.00 C ATOM 878 O LYS A 59 77.621 -10.768 -2.965 1.00 0.00 O ATOM 879 CB LYS A 59 75.359 -12.391 -4.758 1.00 0.00 C ATOM 880 CG LYS A 59 76.476 -13.342 -5.192 1.00 0.00 C ATOM 881 CD LYS A 59 75.965 -14.254 -6.309 1.00 0.00 C ATOM 882 CE LYS A 59 76.799 -15.537 -6.341 1.00 0.00 C ATOM 883 NZ LYS A 59 77.511 -15.500 -7.648 1.00 0.00 N ATOM 0 H LYS A 59 73.697 -10.968 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 59 76.099 -12.753 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.390 -12.878 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.347 -11.510 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.338 -12.773 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.809 -13.940 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 59 74.915 -14.494 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 59 76.029 -13.742 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 59 77.502 -15.572 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 59 76.167 -16.421 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 78.105 -16.348 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 76.816 -15.474 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.110 -14.651 -7.693 1.00 0.00 H new ATOM 897 N PHE A 60 75.837 -9.575 -3.427 1.00 0.00 N ATOM 898 CA PHE A 60 76.608 -8.298 -3.352 1.00 0.00 C ATOM 899 C PHE A 60 75.805 -7.273 -2.555 1.00 0.00 C ATOM 900 O PHE A 60 74.865 -7.613 -1.863 1.00 0.00 O ATOM 901 CB PHE A 60 76.795 -7.820 -4.801 1.00 0.00 C ATOM 902 CG PHE A 60 76.852 -8.998 -5.747 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.010 -9.778 -5.827 1.00 0.00 C ATOM 904 CD2 PHE A 60 75.742 -9.306 -6.542 1.00 0.00 C ATOM 905 CE1 PHE A 60 78.059 -10.867 -6.703 1.00 0.00 C ATOM 906 CE2 PHE A 60 75.790 -10.395 -7.419 1.00 0.00 C ATOM 907 CZ PHE A 60 76.950 -11.177 -7.500 1.00 0.00 C ATOM 0 H PHE A 60 74.846 -9.470 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 60 77.571 -8.431 -2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.973 -7.161 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.713 -7.237 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.866 -9.540 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.848 -8.703 -6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.953 -11.470 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 60 74.934 -10.633 -8.033 1.00 0.00 H new ATOM 0 HZ PHE A 60 76.989 -12.018 -8.176 1.00 0.00 H new ATOM 917 N GLY A 61 76.157 -6.022 -2.642 1.00 0.00 N ATOM 918 CA GLY A 61 75.393 -4.994 -1.880 1.00 0.00 C ATOM 919 C GLY A 61 75.796 -3.591 -2.333 1.00 0.00 C ATOM 920 O GLY A 61 76.797 -3.402 -2.988 1.00 0.00 O ATOM 0 H GLY A 61 76.933 -5.668 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.323 -5.139 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.582 -5.107 -0.813 1.00 0.00 H new ATOM 924 N TYR A 62 75.018 -2.606 -1.979 1.00 0.00 N ATOM 925 CA TYR A 62 75.349 -1.205 -2.373 1.00 0.00 C ATOM 926 C TYR A 62 75.314 -0.311 -1.146 1.00 0.00 C ATOM 927 O TYR A 62 74.640 -0.596 -0.175 1.00 0.00 O ATOM 928 CB TYR A 62 74.272 -0.800 -3.379 1.00 0.00 C ATOM 929 CG TYR A 62 74.609 0.550 -3.964 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.299 1.716 -3.254 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.230 0.636 -5.214 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.611 2.969 -3.796 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.542 1.889 -5.756 1.00 0.00 C ATOM 934 CZ TYR A 62 75.233 3.055 -5.047 1.00 0.00 C ATOM 935 OH TYR A 62 75.540 4.289 -5.583 1.00 0.00 O ATOM 0 H TYR A 62 74.164 -2.710 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 62 76.345 -1.116 -2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.202 -1.544 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.299 -0.763 -2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 62 73.819 1.649 -2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.469 -0.264 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 62 74.372 3.869 -3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 62 76.021 1.955 -6.722 1.00 0.00 H new ATOM 0 HH TYR A 62 75.969 4.169 -6.456 1.00 0.00 H new ATOM 945 N VAL A 63 76.058 0.757 -1.161 1.00 0.00 N ATOM 946 CA VAL A 63 76.082 1.640 0.032 1.00 0.00 C ATOM 947 C VAL A 63 76.355 3.093 -0.364 1.00 0.00 C ATOM 948 O VAL A 63 77.116 3.371 -1.269 1.00 0.00 O ATOM 949 CB VAL A 63 77.232 1.096 0.882 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.092 1.610 2.306 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.202 -0.435 0.901 1.00 0.00 C ATOM 0 H VAL A 63 76.645 1.054 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 63 75.129 1.641 0.561 1.00 0.00 H new ATOM 0 HB VAL A 63 78.176 1.431 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 63 77.910 1.224 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.124 2.700 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.142 1.275 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.026 -0.808 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.256 -0.775 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.302 -0.814 -0.116 1.00 0.00 H new ATOM 961 N ASP A 64 75.744 4.022 0.321 1.00 0.00 N ATOM 962 CA ASP A 64 75.970 5.458 0.005 1.00 0.00 C ATOM 963 C ASP A 64 76.821 6.099 1.103 1.00 0.00 C ATOM 964 O ASP A 64 76.663 5.810 2.273 1.00 0.00 O ATOM 965 CB ASP A 64 74.576 6.081 -0.024 1.00 0.00 C ATOM 966 CG ASP A 64 73.636 5.198 -0.849 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.448 4.053 -0.472 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.121 5.683 -1.842 1.00 0.00 O ATOM 0 H ASP A 64 75.096 3.845 1.089 1.00 0.00 H new ATOM 0 HA ASP A 64 76.497 5.601 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.193 6.188 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.623 7.081 -0.454 1.00 0.00 H new ATOM 973 N PHE A 65 77.725 6.963 0.735 1.00 0.00 N ATOM 974 CA PHE A 65 78.594 7.618 1.755 1.00 0.00 C ATOM 975 C PHE A 65 78.145 9.058 1.997 1.00 0.00 C ATOM 976 O PHE A 65 77.214 9.541 1.386 1.00 0.00 O ATOM 977 CB PHE A 65 79.999 7.581 1.162 1.00 0.00 C ATOM 978 CG PHE A 65 80.577 6.204 1.365 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.766 5.714 2.662 1.00 0.00 C ATOM 980 CD2 PHE A 65 80.917 5.416 0.261 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.295 4.434 2.855 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.446 4.136 0.454 1.00 0.00 C ATOM 983 CZ PHE A 65 81.635 3.645 1.751 1.00 0.00 C ATOM 0 H PHE A 65 77.901 7.245 -0.229 1.00 0.00 H new ATOM 0 HA PHE A 65 78.547 7.112 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 65 79.967 7.824 0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.630 8.329 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.503 6.324 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 65 80.771 5.796 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.441 4.055 3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 65 81.709 3.526 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.044 2.656 1.900 1.00 0.00 H new ATOM 993 N GLU A 66 78.791 9.739 2.901 1.00 0.00 N ATOM 994 CA GLU A 66 78.392 11.142 3.205 1.00 0.00 C ATOM 995 C GLU A 66 79.521 12.118 2.871 1.00 0.00 C ATOM 996 O GLU A 66 79.515 13.254 3.301 1.00 0.00 O ATOM 997 CB GLU A 66 78.115 11.150 4.709 1.00 0.00 C ATOM 998 CG GLU A 66 76.627 11.400 4.960 1.00 0.00 C ATOM 999 CD GLU A 66 76.417 12.851 5.393 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.858 13.733 4.675 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.819 13.057 6.437 1.00 0.00 O ATOM 0 H GLU A 66 79.579 9.385 3.443 1.00 0.00 H new ATOM 0 HA GLU A 66 77.528 11.454 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.412 10.198 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.710 11.924 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.055 11.194 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.259 10.723 5.731 1.00 0.00 H new ATOM 1008 N SER A 67 80.490 11.694 2.110 1.00 0.00 N ATOM 1009 CA SER A 67 81.608 12.623 1.764 1.00 0.00 C ATOM 1010 C SER A 67 82.636 11.963 0.859 1.00 0.00 C ATOM 1011 O SER A 67 82.566 10.791 0.540 1.00 0.00 O ATOM 1012 CB SER A 67 82.270 12.976 3.090 1.00 0.00 C ATOM 1013 OG SER A 67 82.545 11.781 3.811 1.00 0.00 O ATOM 0 H SER A 67 80.559 10.756 1.715 1.00 0.00 H new ATOM 0 HA SER A 67 81.226 13.493 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.193 13.528 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.617 13.625 3.674 1.00 0.00 H new ATOM 0 HG SER A 67 81.813 11.601 4.437 1.00 0.00 H new ATOM 1019 N ALA A 68 83.619 12.723 0.489 1.00 0.00 N ATOM 1020 CA ALA A 68 84.715 12.193 -0.354 1.00 0.00 C ATOM 1021 C ALA A 68 85.631 11.388 0.540 1.00 0.00 C ATOM 1022 O ALA A 68 86.369 10.524 0.107 1.00 0.00 O ATOM 1023 CB ALA A 68 85.443 13.433 -0.854 1.00 0.00 C ATOM 0 H ALA A 68 83.711 13.707 0.740 1.00 0.00 H new ATOM 0 HA ALA A 68 84.376 11.561 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.276 13.134 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.754 14.054 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.822 14.000 -0.004 1.00 0.00 H new ATOM 1029 N GLU A 69 85.576 11.687 1.800 1.00 0.00 N ATOM 1030 CA GLU A 69 86.420 10.980 2.780 1.00 0.00 C ATOM 1031 C GLU A 69 85.783 9.634 3.122 1.00 0.00 C ATOM 1032 O GLU A 69 86.459 8.672 3.434 1.00 0.00 O ATOM 1033 CB GLU A 69 86.432 11.920 3.976 1.00 0.00 C ATOM 1034 CG GLU A 69 87.856 12.035 4.516 1.00 0.00 C ATOM 1035 CD GLU A 69 87.913 11.476 5.939 1.00 0.00 C ATOM 1036 OE1 GLU A 69 86.864 11.346 6.547 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.007 11.188 6.397 1.00 0.00 O ATOM 0 H GLU A 69 84.970 12.405 2.196 1.00 0.00 H new ATOM 0 HA GLU A 69 87.427 10.758 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.061 12.903 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.766 11.546 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.545 11.488 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.174 13.077 4.511 1.00 0.00 H new ATOM 1044 N ASP A 70 84.483 9.547 3.020 1.00 0.00 N ATOM 1045 CA ASP A 70 83.810 8.257 3.296 1.00 0.00 C ATOM 1046 C ASP A 70 83.957 7.401 2.053 1.00 0.00 C ATOM 1047 O ASP A 70 84.015 6.189 2.109 1.00 0.00 O ATOM 1048 CB ASP A 70 82.341 8.603 3.549 1.00 0.00 C ATOM 1049 CG ASP A 70 82.221 9.442 4.821 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.090 9.323 5.670 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.262 10.188 4.925 1.00 0.00 O ATOM 0 H ASP A 70 83.865 10.315 2.758 1.00 0.00 H new ATOM 0 HA ASP A 70 84.224 7.717 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 70 81.935 9.153 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 70 81.754 7.690 3.647 1.00 0.00 H new ATOM 1056 N LEU A 71 84.038 8.044 0.921 1.00 0.00 N ATOM 1057 CA LEU A 71 84.206 7.299 -0.345 1.00 0.00 C ATOM 1058 C LEU A 71 85.681 6.933 -0.525 1.00 0.00 C ATOM 1059 O LEU A 71 86.017 5.903 -1.075 1.00 0.00 O ATOM 1060 CB LEU A 71 83.743 8.261 -1.441 1.00 0.00 C ATOM 1061 CG LEU A 71 83.771 7.552 -2.797 1.00 0.00 C ATOM 1062 CD1 LEU A 71 85.220 7.380 -3.257 1.00 0.00 C ATOM 1063 CD2 LEU A 71 83.111 6.176 -2.668 1.00 0.00 C ATOM 0 H LEU A 71 83.994 9.058 0.824 1.00 0.00 H new ATOM 0 HA LEU A 71 83.637 6.370 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 71 82.735 8.614 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.390 9.138 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 71 83.227 8.150 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 71 85.238 6.875 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 71 85.691 8.359 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 71 85.766 6.784 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 71 83.131 5.671 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 71 83.654 5.579 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 71 82.078 6.297 -2.343 1.00 0.00 H new ATOM 1075 N GLU A 72 86.564 7.774 -0.054 1.00 0.00 N ATOM 1076 CA GLU A 72 88.020 7.485 -0.183 1.00 0.00 C ATOM 1077 C GLU A 72 88.397 6.314 0.726 1.00 0.00 C ATOM 1078 O GLU A 72 89.212 5.477 0.378 1.00 0.00 O ATOM 1079 CB GLU A 72 88.722 8.765 0.269 1.00 0.00 C ATOM 1080 CG GLU A 72 90.233 8.530 0.314 1.00 0.00 C ATOM 1081 CD GLU A 72 90.946 9.846 0.631 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.898 10.263 1.776 1.00 0.00 O ATOM 1083 OE2 GLU A 72 91.527 10.416 -0.278 1.00 0.00 O ATOM 0 H GLU A 72 86.337 8.651 0.416 1.00 0.00 H new ATOM 0 HA GLU A 72 88.302 7.208 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.490 9.581 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.360 9.063 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.473 7.783 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.579 8.138 -0.642 1.00 0.00 H new ATOM 1090 N LYS A 73 87.788 6.223 1.878 1.00 0.00 N ATOM 1091 CA LYS A 73 88.096 5.090 2.777 1.00 0.00 C ATOM 1092 C LYS A 73 87.358 3.879 2.246 1.00 0.00 C ATOM 1093 O LYS A 73 87.797 2.754 2.370 1.00 0.00 O ATOM 1094 CB LYS A 73 87.564 5.500 4.150 1.00 0.00 C ATOM 1095 CG LYS A 73 88.737 5.810 5.081 1.00 0.00 C ATOM 1096 CD LYS A 73 88.853 7.324 5.270 1.00 0.00 C ATOM 1097 CE LYS A 73 89.905 7.880 4.308 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.961 8.455 5.186 1.00 0.00 N ATOM 0 H LYS A 73 87.095 6.884 2.228 1.00 0.00 H new ATOM 0 HA LYS A 73 89.158 4.851 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.920 6.374 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.955 4.699 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.589 5.323 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.662 5.413 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 73 87.889 7.799 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.129 7.552 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.308 7.096 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.479 8.640 3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 91.720 8.857 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.549 9.203 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 91.353 7.707 5.793 1.00 0.00 H new ATOM 1112 N ALA A 74 86.239 4.117 1.622 1.00 0.00 N ATOM 1113 CA ALA A 74 85.471 2.996 1.049 1.00 0.00 C ATOM 1114 C ALA A 74 86.305 2.338 -0.048 1.00 0.00 C ATOM 1115 O ALA A 74 86.203 1.154 -0.303 1.00 0.00 O ATOM 1116 CB ALA A 74 84.205 3.623 0.470 1.00 0.00 C ATOM 0 H ALA A 74 85.829 5.041 1.488 1.00 0.00 H new ATOM 0 HA ALA A 74 85.225 2.229 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.584 2.845 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.649 4.121 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.476 4.351 -0.294 1.00 0.00 H new ATOM 1122 N LEU A 75 87.151 3.105 -0.683 1.00 0.00 N ATOM 1123 CA LEU A 75 88.019 2.544 -1.745 1.00 0.00 C ATOM 1124 C LEU A 75 89.128 1.732 -1.087 1.00 0.00 C ATOM 1125 O LEU A 75 89.403 0.611 -1.465 1.00 0.00 O ATOM 1126 CB LEU A 75 88.595 3.765 -2.462 1.00 0.00 C ATOM 1127 CG LEU A 75 88.864 3.422 -3.924 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.969 2.368 -4.004 1.00 0.00 C ATOM 1129 CD2 LEU A 75 87.586 2.874 -4.562 1.00 0.00 C ATOM 0 H LEU A 75 87.275 4.102 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 75 87.491 1.888 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.897 4.600 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.518 4.082 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 75 89.179 4.319 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.162 2.122 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 75 90.879 2.759 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.655 1.470 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.777 2.629 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.270 1.976 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 75 86.799 3.626 -4.504 1.00 0.00 H new ATOM 1141 N GLU A 76 89.754 2.287 -0.086 1.00 0.00 N ATOM 1142 CA GLU A 76 90.828 1.542 0.617 1.00 0.00 C ATOM 1143 C GLU A 76 90.206 0.561 1.611 1.00 0.00 C ATOM 1144 O GLU A 76 90.895 -0.095 2.367 1.00 0.00 O ATOM 1145 CB GLU A 76 91.629 2.605 1.358 1.00 0.00 C ATOM 1146 CG GLU A 76 92.972 2.819 0.659 1.00 0.00 C ATOM 1147 CD GLU A 76 92.878 4.035 -0.266 1.00 0.00 C ATOM 1148 OE1 GLU A 76 92.163 4.962 0.078 1.00 0.00 O ATOM 1149 OE2 GLU A 76 93.524 4.019 -1.301 1.00 0.00 O ATOM 0 H GLU A 76 89.566 3.223 0.273 1.00 0.00 H new ATOM 0 HA GLU A 76 91.452 0.966 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.070 3.540 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.791 2.298 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.759 2.971 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.241 1.932 0.085 1.00 0.00 H new ATOM 1156 N LEU A 77 88.903 0.457 1.615 1.00 0.00 N ATOM 1157 CA LEU A 77 88.230 -0.478 2.560 1.00 0.00 C ATOM 1158 C LEU A 77 88.303 -1.913 2.034 1.00 0.00 C ATOM 1159 O LEU A 77 87.646 -2.800 2.540 1.00 0.00 O ATOM 1160 CB LEU A 77 86.776 -0.003 2.618 1.00 0.00 C ATOM 1161 CG LEU A 77 86.380 0.284 4.070 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.881 -0.841 4.977 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.999 1.610 4.515 1.00 0.00 C ATOM 0 H LEU A 77 88.276 0.980 1.004 1.00 0.00 H new ATOM 0 HA LEU A 77 88.701 -0.478 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.653 0.896 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.119 -0.763 2.196 1.00 0.00 H new ATOM 0 HG LEU A 77 85.294 0.345 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.596 -0.631 6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.438 -1.786 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.967 -0.909 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.717 1.814 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.085 1.548 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 77 86.637 2.414 3.874 1.00 0.00 H new ATOM 1175 N THR A 78 89.100 -2.154 1.026 1.00 0.00 N ATOM 1176 CA THR A 78 89.207 -3.538 0.485 1.00 0.00 C ATOM 1177 C THR A 78 89.870 -4.455 1.508 1.00 0.00 C ATOM 1178 O THR A 78 89.943 -5.656 1.333 1.00 0.00 O ATOM 1179 CB THR A 78 90.062 -3.418 -0.778 1.00 0.00 C ATOM 1180 OG1 THR A 78 89.860 -2.139 -1.363 1.00 0.00 O ATOM 1181 CG2 THR A 78 89.662 -4.507 -1.773 1.00 0.00 C ATOM 0 H THR A 78 89.678 -1.456 0.557 1.00 0.00 H new ATOM 0 HA THR A 78 88.230 -3.969 0.264 1.00 0.00 H new ATOM 0 HB THR A 78 91.114 -3.537 -0.519 1.00 0.00 H new ATOM 0 HG1 THR A 78 90.408 -2.059 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 78 90.272 -4.420 -2.672 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.818 -5.487 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 78 88.610 -4.392 -2.035 1.00 0.00 H new ATOM 1189 N GLY A 79 90.336 -3.895 2.578 1.00 0.00 N ATOM 1190 CA GLY A 79 90.982 -4.721 3.637 1.00 0.00 C ATOM 1191 C GLY A 79 89.920 -5.138 4.657 1.00 0.00 C ATOM 1192 O GLY A 79 90.215 -5.403 5.806 1.00 0.00 O ATOM 0 H GLY A 79 90.300 -2.894 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.448 -5.602 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.773 -4.154 4.127 1.00 0.00 H new ATOM 1196 N LEU A 80 88.683 -5.188 4.242 1.00 0.00 N ATOM 1197 CA LEU A 80 87.588 -5.576 5.177 1.00 0.00 C ATOM 1198 C LEU A 80 87.318 -7.080 5.107 1.00 0.00 C ATOM 1199 O LEU A 80 88.043 -7.829 4.483 1.00 0.00 O ATOM 1200 CB LEU A 80 86.365 -4.799 4.686 1.00 0.00 C ATOM 1201 CG LEU A 80 85.956 -3.767 5.737 1.00 0.00 C ATOM 1202 CD1 LEU A 80 84.879 -2.850 5.157 1.00 0.00 C ATOM 1203 CD2 LEU A 80 85.401 -4.485 6.969 1.00 0.00 C ATOM 0 H LEU A 80 88.382 -4.976 3.291 1.00 0.00 H new ATOM 0 HA LEU A 80 87.840 -5.352 6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.592 -4.302 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.539 -5.484 4.494 1.00 0.00 H new ATOM 0 HG LEU A 80 86.826 -3.175 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 80 84.586 -2.114 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.272 -2.338 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.010 -3.444 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 80 85.109 -3.749 7.718 1.00 0.00 H new ATOM 0 HD22 LEU A 80 84.531 -5.077 6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.166 -5.141 7.383 1.00 0.00 H new ATOM 1215 N LYS A 81 86.268 -7.515 5.743 1.00 0.00 N ATOM 1216 CA LYS A 81 85.906 -8.962 5.735 1.00 0.00 C ATOM 1217 C LYS A 81 84.699 -9.172 6.622 1.00 0.00 C ATOM 1218 O LYS A 81 84.705 -9.973 7.532 1.00 0.00 O ATOM 1219 CB LYS A 81 87.094 -9.682 6.314 1.00 0.00 C ATOM 1220 CG LYS A 81 87.770 -10.532 5.237 1.00 0.00 C ATOM 1221 CD LYS A 81 88.698 -11.552 5.899 1.00 0.00 C ATOM 1222 CE LYS A 81 89.762 -12.001 4.896 1.00 0.00 C ATOM 1223 NZ LYS A 81 89.783 -13.486 4.997 1.00 0.00 N ATOM 0 H LYS A 81 85.634 -6.921 6.277 1.00 0.00 H new ATOM 0 HA LYS A 81 85.666 -9.323 4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.804 -8.961 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.777 -10.316 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.017 -11.045 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.338 -9.895 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.173 -11.112 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.123 -12.411 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 81 89.513 -11.677 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.736 -11.575 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 90.490 -13.869 4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.029 -13.764 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 88.844 -13.864 4.756 1.00 0.00 H new ATOM 1237 N VAL A 82 83.689 -8.426 6.337 1.00 0.00 N ATOM 1238 CA VAL A 82 82.403 -8.481 7.113 1.00 0.00 C ATOM 1239 C VAL A 82 82.230 -9.834 7.798 1.00 0.00 C ATOM 1240 O VAL A 82 82.823 -10.107 8.823 1.00 0.00 O ATOM 1241 CB VAL A 82 81.312 -8.243 6.068 1.00 0.00 C ATOM 1242 CG1 VAL A 82 79.936 -8.364 6.728 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.473 -6.842 5.478 1.00 0.00 C ATOM 0 H VAL A 82 83.685 -7.750 5.573 1.00 0.00 H new ATOM 0 HA VAL A 82 82.372 -7.741 7.913 1.00 0.00 H new ATOM 0 HB VAL A 82 81.399 -8.985 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.159 -8.194 5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 82 79.822 -9.362 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 82 79.846 -7.622 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 82 80.697 -6.670 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 82 81.385 -6.100 6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 82 82.453 -6.756 5.008 1.00 0.00 H new ATOM 1253 N PHE A 83 81.438 -10.680 7.237 1.00 0.00 N ATOM 1254 CA PHE A 83 81.242 -12.026 7.841 1.00 0.00 C ATOM 1255 C PHE A 83 82.316 -12.971 7.295 1.00 0.00 C ATOM 1256 O PHE A 83 82.050 -14.104 6.948 1.00 0.00 O ATOM 1257 CB PHE A 83 79.845 -12.465 7.397 1.00 0.00 C ATOM 1258 CG PHE A 83 78.809 -11.772 8.249 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.982 -11.698 9.637 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.678 -11.198 7.656 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.027 -11.052 10.429 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.722 -10.553 8.448 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.897 -10.480 9.835 1.00 0.00 C ATOM 0 H PHE A 83 80.911 -10.506 6.381 1.00 0.00 H new ATOM 0 HA PHE A 83 81.324 -12.026 8.928 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.691 -12.220 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.745 -13.546 7.490 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.854 -12.140 10.096 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.543 -11.253 6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.162 -10.995 11.499 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.849 -10.112 7.990 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.159 -9.982 10.447 1.00 0.00 H new ATOM 1273 N GLY A 84 83.532 -12.494 7.204 1.00 0.00 N ATOM 1274 CA GLY A 84 84.637 -13.335 6.669 1.00 0.00 C ATOM 1275 C GLY A 84 84.665 -13.204 5.146 1.00 0.00 C ATOM 1276 O GLY A 84 85.056 -14.112 4.440 1.00 0.00 O ATOM 0 H GLY A 84 83.805 -11.551 7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.590 -13.019 7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.491 -14.377 6.955 1.00 0.00 H new ATOM 1280 N ASN A 85 84.253 -12.074 4.637 1.00 0.00 N ATOM 1281 CA ASN A 85 84.255 -11.871 3.162 1.00 0.00 C ATOM 1282 C ASN A 85 84.571 -10.408 2.860 1.00 0.00 C ATOM 1283 O ASN A 85 83.689 -9.580 2.754 1.00 0.00 O ATOM 1284 CB ASN A 85 82.838 -12.224 2.707 1.00 0.00 C ATOM 1285 CG ASN A 85 82.906 -13.234 1.560 1.00 0.00 C ATOM 1286 OD1 ASN A 85 83.738 -13.117 0.682 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.060 -14.227 1.530 1.00 0.00 N ATOM 0 H ASN A 85 83.914 -11.281 5.182 1.00 0.00 H new ATOM 0 HA ASN A 85 84.999 -12.481 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.271 -12.641 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.314 -11.325 2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.097 -14.906 0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.362 -14.325 2.267 1.00 0.00 H new ATOM 1294 N GLU A 86 85.826 -10.079 2.746 1.00 0.00 N ATOM 1295 CA GLU A 86 86.197 -8.663 2.480 1.00 0.00 C ATOM 1296 C GLU A 86 85.278 -8.056 1.426 1.00 0.00 C ATOM 1297 O GLU A 86 85.489 -8.202 0.237 1.00 0.00 O ATOM 1298 CB GLU A 86 87.639 -8.710 1.989 1.00 0.00 C ATOM 1299 CG GLU A 86 87.734 -9.613 0.758 1.00 0.00 C ATOM 1300 CD GLU A 86 88.449 -8.866 -0.369 1.00 0.00 C ATOM 1301 OE1 GLU A 86 89.576 -8.449 -0.155 1.00 0.00 O ATOM 1302 OE2 GLU A 86 87.859 -8.724 -1.427 1.00 0.00 O ATOM 0 H GLU A 86 86.609 -10.728 2.825 1.00 0.00 H new ATOM 0 HA GLU A 86 86.097 -8.041 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 86 87.983 -7.705 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.290 -9.085 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 86 88.276 -10.526 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 86 86.737 -9.912 0.435 1.00 0.00 H new ATOM 1309 N ILE A 87 84.260 -7.370 1.859 1.00 0.00 N ATOM 1310 CA ILE A 87 83.317 -6.740 0.894 1.00 0.00 C ATOM 1311 C ILE A 87 84.094 -5.969 -0.175 1.00 0.00 C ATOM 1312 O ILE A 87 84.908 -5.118 0.125 1.00 0.00 O ATOM 1313 CB ILE A 87 82.463 -5.785 1.730 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.359 -5.014 2.702 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.425 -6.585 2.519 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.067 -3.516 2.586 1.00 0.00 C ATOM 0 H ILE A 87 84.039 -7.217 2.843 1.00 0.00 H new ATOM 0 HA ILE A 87 82.706 -7.479 0.375 1.00 0.00 H new ATOM 0 HB ILE A 87 81.955 -5.082 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.182 -5.352 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.408 -5.209 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.817 -5.904 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.785 -7.133 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.933 -7.289 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.705 -2.966 3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.267 -3.184 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.021 -3.329 2.830 1.00 0.00 H new ATOM 1328 N LYS A 88 83.846 -6.261 -1.420 1.00 0.00 N ATOM 1329 CA LYS A 88 84.564 -5.546 -2.515 1.00 0.00 C ATOM 1330 C LYS A 88 83.660 -4.466 -3.105 1.00 0.00 C ATOM 1331 O LYS A 88 82.525 -4.716 -3.449 1.00 0.00 O ATOM 1332 CB LYS A 88 84.866 -6.612 -3.569 1.00 0.00 C ATOM 1333 CG LYS A 88 85.323 -7.904 -2.888 1.00 0.00 C ATOM 1334 CD LYS A 88 85.451 -9.015 -3.933 1.00 0.00 C ATOM 1335 CE LYS A 88 86.883 -9.552 -3.933 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.838 -10.768 -3.075 1.00 0.00 N ATOM 0 H LYS A 88 83.176 -6.965 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 88 85.473 -5.059 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.977 -6.803 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.640 -6.255 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.280 -7.746 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.608 -8.195 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 88 84.750 -9.819 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 88 85.195 -8.631 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.214 -9.794 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.581 -8.815 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 87.588 -11.427 -3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 86.982 -10.497 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 85.912 -11.231 -3.177 1.00 0.00 H new ATOM 1350 N LEU A 89 84.148 -3.268 -3.227 1.00 0.00 N ATOM 1351 CA LEU A 89 83.302 -2.189 -3.791 1.00 0.00 C ATOM 1352 C LEU A 89 83.840 -1.712 -5.140 1.00 0.00 C ATOM 1353 O LEU A 89 84.871 -2.152 -5.607 1.00 0.00 O ATOM 1354 CB LEU A 89 83.316 -1.053 -2.756 1.00 0.00 C ATOM 1355 CG LEU A 89 84.730 -0.736 -2.238 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.139 -1.745 -1.162 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.749 -0.751 -3.386 1.00 0.00 C ATOM 0 H LEU A 89 85.093 -2.990 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 89 82.287 -2.541 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 89 82.888 -0.156 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 89 82.679 -1.326 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 89 84.716 0.263 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.141 -1.509 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.436 -1.695 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.132 -2.750 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.741 -0.524 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.759 -1.737 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.472 -0.003 -4.128 1.00 0.00 H new ATOM 1369 N GLU A 90 83.137 -0.814 -5.770 1.00 0.00 N ATOM 1370 CA GLU A 90 83.593 -0.300 -7.093 1.00 0.00 C ATOM 1371 C GLU A 90 82.625 0.769 -7.608 1.00 0.00 C ATOM 1372 O GLU A 90 81.424 0.583 -7.615 1.00 0.00 O ATOM 1373 CB GLU A 90 83.586 -1.519 -8.016 1.00 0.00 C ATOM 1374 CG GLU A 90 82.199 -2.165 -7.999 1.00 0.00 C ATOM 1375 CD GLU A 90 82.339 -3.681 -8.145 1.00 0.00 C ATOM 1376 OE1 GLU A 90 82.868 -4.112 -9.157 1.00 0.00 O ATOM 1377 OE2 GLU A 90 81.914 -4.385 -7.244 1.00 0.00 O ATOM 0 H GLU A 90 82.265 -0.412 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 90 84.578 0.164 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 90 83.847 -1.221 -9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.338 -2.238 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 90 81.686 -1.925 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 90 81.590 -1.766 -8.810 1.00 0.00 H new