USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 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 150:sc= -2.48! USER MOD Set 1.2: A 19 ASN : amide:sc= -10.3! C(o=-13!,f=-14!) USER MOD Single : A 15 THR OG1 : rot 38:sc= 0.0441 USER MOD Single : A 24 ASN : amide:sc= 0.176 K(o=0.18,f=-1.4!) USER MOD Single : A 26 ASN : amide:sc= -3.85! C(o=-3.8!,f=-17!) 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= -0.0518 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -2.18! (180deg=-6.55!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= -0.315 (180deg=-1.58!) USER MOD Single : A 45 ASN :FLIP amide:sc= -9.18! C(o=-12!,f=-9.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00444 USER MOD Single : A 56 THR OG1 : rot 157:sc= 0.597! USER MOD Single : A 57 ASN : amide:sc= -0.372 K(o=-0.37,f=-2.4!) 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 -87:sc= -1.93! USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= 0.58 (180deg=-0.132) USER MOD Single : A 78 THR OG1 : rot 118:sc= 0.765 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.79! C(o=-1.8!,f=-1.9!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 71.037 9.512 -2.382 1.00 0.00 N ATOM 191 CA THR A 15 70.929 10.172 -1.049 1.00 0.00 C ATOM 192 C THR A 15 72.246 10.861 -0.689 1.00 0.00 C ATOM 193 O THR A 15 72.319 11.631 0.249 1.00 0.00 O ATOM 194 CB THR A 15 70.631 9.039 -0.068 1.00 0.00 C ATOM 195 OG1 THR A 15 69.315 8.552 -0.295 1.00 0.00 O ATOM 196 CG2 THR A 15 70.745 9.558 1.366 1.00 0.00 C ATOM 0 HA THR A 15 70.156 10.940 -1.032 1.00 0.00 H new ATOM 0 HB THR A 15 71.348 8.232 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 15 69.131 8.542 -1.258 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.532 8.748 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.755 9.930 1.539 1.00 0.00 H new ATOM 0 HG23 THR A 15 70.029 10.366 1.518 1.00 0.00 H new ATOM 204 N THR A 16 73.286 10.592 -1.424 1.00 0.00 N ATOM 205 CA THR A 16 74.598 11.233 -1.122 1.00 0.00 C ATOM 206 C THR A 16 75.429 11.375 -2.399 1.00 0.00 C ATOM 207 O THR A 16 75.140 10.754 -3.403 1.00 0.00 O ATOM 208 CB THR A 16 75.291 10.288 -0.139 1.00 0.00 C ATOM 209 OG1 THR A 16 75.790 9.159 -0.842 1.00 0.00 O ATOM 210 CG2 THR A 16 74.295 9.829 0.927 1.00 0.00 C ATOM 0 H THR A 16 73.287 9.956 -2.222 1.00 0.00 H new ATOM 0 HA THR A 16 74.476 12.234 -0.708 1.00 0.00 H new ATOM 0 HB THR A 16 76.116 10.811 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 16 76.589 8.818 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.793 9.156 1.625 1.00 0.00 H new ATOM 0 HG22 THR A 16 73.915 10.696 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.466 9.307 0.449 1.00 0.00 H new ATOM 218 N PRO A 17 76.438 12.198 -2.314 1.00 0.00 N ATOM 219 CA PRO A 17 77.327 12.436 -3.474 1.00 0.00 C ATOM 220 C PRO A 17 78.270 11.247 -3.689 1.00 0.00 C ATOM 221 O PRO A 17 78.611 10.912 -4.805 1.00 0.00 O ATOM 222 CB PRO A 17 78.110 13.683 -3.074 1.00 0.00 C ATOM 223 CG PRO A 17 78.087 13.697 -1.577 1.00 0.00 C ATOM 224 CD PRO A 17 76.836 12.979 -1.139 1.00 0.00 C ATOM 0 HA PRO A 17 76.781 12.559 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 17 79.132 13.645 -3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.652 14.584 -3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.973 13.205 -1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 17 78.093 14.721 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 17 77.026 12.336 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 17 76.056 13.681 -0.845 1.00 0.00 H new ATOM 232 N PHE A 18 78.698 10.607 -2.632 1.00 0.00 N ATOM 233 CA PHE A 18 79.621 9.446 -2.796 1.00 0.00 C ATOM 234 C PHE A 18 78.852 8.128 -2.670 1.00 0.00 C ATOM 235 O PHE A 18 78.518 7.692 -1.586 1.00 0.00 O ATOM 236 CB PHE A 18 80.640 9.590 -1.665 1.00 0.00 C ATOM 237 CG PHE A 18 81.460 10.838 -1.893 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.551 10.809 -2.770 1.00 0.00 C ATOM 239 CD2 PHE A 18 81.127 12.024 -1.228 1.00 0.00 C ATOM 240 CE1 PHE A 18 83.307 11.967 -2.984 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.885 13.182 -1.441 1.00 0.00 C ATOM 242 CZ PHE A 18 82.975 13.154 -2.320 1.00 0.00 C ATOM 0 H PHE A 18 78.450 10.836 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 18 80.099 9.434 -3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 18 80.129 9.646 -0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 18 81.289 8.715 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.809 9.893 -3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.286 12.046 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 18 84.147 11.945 -3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.629 14.097 -0.927 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.559 14.047 -2.485 1.00 0.00 H new ATOM 252 N ASN A 19 78.570 7.490 -3.775 1.00 0.00 N ATOM 253 CA ASN A 19 77.828 6.203 -3.732 1.00 0.00 C ATOM 254 C ASN A 19 78.454 5.218 -4.723 1.00 0.00 C ATOM 255 O ASN A 19 79.051 5.610 -5.706 1.00 0.00 O ATOM 256 CB ASN A 19 76.402 6.553 -4.157 1.00 0.00 C ATOM 257 CG ASN A 19 75.950 7.828 -3.440 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.564 8.867 -3.579 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.894 7.792 -2.675 1.00 0.00 N ATOM 0 H ASN A 19 78.825 7.810 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 19 77.854 5.737 -2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.358 6.696 -5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.728 5.731 -3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.584 8.636 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.378 6.920 -2.558 1.00 0.00 H new ATOM 266 N LEU A 20 78.325 3.948 -4.472 1.00 0.00 N ATOM 267 CA LEU A 20 78.918 2.944 -5.403 1.00 0.00 C ATOM 268 C LEU A 20 78.315 1.560 -5.152 1.00 0.00 C ATOM 269 O LEU A 20 77.373 1.408 -4.398 1.00 0.00 O ATOM 270 CB LEU A 20 80.413 2.943 -5.081 1.00 0.00 C ATOM 271 CG LEU A 20 80.618 2.582 -3.609 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.567 1.063 -3.443 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.981 3.098 -3.144 1.00 0.00 C ATOM 0 H LEU A 20 77.836 3.559 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 20 78.723 3.187 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.932 2.227 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.841 3.924 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 20 79.830 3.039 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.713 0.807 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.597 0.693 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 20 81.354 0.605 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 20 82.129 2.841 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.767 2.640 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 20 82.019 4.181 -3.262 1.00 0.00 H new ATOM 285 N PHE A 21 78.853 0.550 -5.777 1.00 0.00 N ATOM 286 CA PHE A 21 78.317 -0.826 -5.578 1.00 0.00 C ATOM 287 C PHE A 21 79.382 -1.717 -4.932 1.00 0.00 C ATOM 288 O PHE A 21 80.566 -1.511 -5.108 1.00 0.00 O ATOM 289 CB PHE A 21 77.979 -1.324 -6.983 1.00 0.00 C ATOM 290 CG PHE A 21 77.729 -2.813 -6.946 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.834 -3.349 -6.013 1.00 0.00 C ATOM 292 CD2 PHE A 21 78.392 -3.658 -7.844 1.00 0.00 C ATOM 293 CE1 PHE A 21 76.602 -4.730 -5.978 1.00 0.00 C ATOM 294 CE2 PHE A 21 78.161 -5.037 -7.809 1.00 0.00 C ATOM 295 CZ PHE A 21 77.266 -5.574 -6.877 1.00 0.00 C ATOM 0 H PHE A 21 79.643 0.618 -6.419 1.00 0.00 H new ATOM 0 HA PHE A 21 77.448 -0.843 -4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.097 -0.806 -7.361 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.798 -1.099 -7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 21 76.322 -2.698 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 21 79.082 -3.245 -8.564 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.911 -5.144 -5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 21 78.674 -5.688 -8.502 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.087 -6.639 -6.851 1.00 0.00 H new ATOM 305 N ILE A 22 78.971 -2.704 -4.185 1.00 0.00 N ATOM 306 CA ILE A 22 79.961 -3.605 -3.532 1.00 0.00 C ATOM 307 C ILE A 22 79.580 -5.066 -3.782 1.00 0.00 C ATOM 308 O ILE A 22 78.452 -5.378 -4.107 1.00 0.00 O ATOM 309 CB ILE A 22 79.897 -3.244 -2.038 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.936 -2.160 -1.740 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.190 -4.476 -1.174 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.691 -1.592 -0.341 1.00 0.00 C ATOM 0 H ILE A 22 77.993 -2.925 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 22 80.971 -3.483 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 22 78.896 -2.881 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.941 -2.577 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.872 -1.365 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.140 -4.202 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.452 -5.250 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.186 -4.853 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.430 -0.820 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.691 -1.160 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.777 -2.390 0.396 1.00 0.00 H new ATOM 324 N GLY A 23 80.518 -5.958 -3.640 1.00 0.00 N ATOM 325 CA GLY A 23 80.214 -7.397 -3.877 1.00 0.00 C ATOM 326 C GLY A 23 80.973 -8.260 -2.868 1.00 0.00 C ATOM 327 O GLY A 23 81.644 -7.760 -1.986 1.00 0.00 O ATOM 0 H GLY A 23 81.481 -5.755 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.142 -7.572 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.496 -7.675 -4.892 1.00 0.00 H new ATOM 331 N ASN A 24 80.870 -9.555 -2.993 1.00 0.00 N ATOM 332 CA ASN A 24 81.581 -10.467 -2.047 1.00 0.00 C ATOM 333 C ASN A 24 80.919 -10.419 -0.668 1.00 0.00 C ATOM 334 O ASN A 24 81.574 -10.262 0.343 1.00 0.00 O ATOM 335 CB ASN A 24 83.017 -9.940 -1.974 1.00 0.00 C ATOM 336 CG ASN A 24 83.951 -11.064 -1.524 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.767 -12.207 -1.892 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.955 -10.786 -0.737 1.00 0.00 N ATOM 0 H ASN A 24 80.321 -10.025 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 24 81.550 -11.505 -2.379 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.327 -9.563 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 24 83.074 -9.104 -1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.584 -11.528 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.110 -9.826 -0.428 1.00 0.00 H new ATOM 345 N LEU A 25 79.622 -10.558 -0.622 1.00 0.00 N ATOM 346 CA LEU A 25 78.913 -10.524 0.689 1.00 0.00 C ATOM 347 C LEU A 25 78.660 -11.945 1.187 1.00 0.00 C ATOM 348 O LEU A 25 78.202 -12.801 0.456 1.00 0.00 O ATOM 349 CB LEU A 25 77.590 -9.811 0.410 1.00 0.00 C ATOM 350 CG LEU A 25 77.794 -8.298 0.504 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.705 -7.833 -0.634 1.00 0.00 C ATOM 352 CD2 LEU A 25 76.438 -7.595 0.391 1.00 0.00 C ATOM 0 H LEU A 25 79.022 -10.694 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 25 79.494 -10.015 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.223 -10.078 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.834 -10.132 1.127 1.00 0.00 H new ATOM 0 HG LEU A 25 78.255 -8.052 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.850 -6.755 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.670 -8.334 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.245 -8.078 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 25 76.581 -6.516 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 25 75.979 -7.842 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 75.788 -7.926 1.201 1.00 0.00 H new ATOM 364 N ASN A 26 78.957 -12.196 2.428 1.00 0.00 N ATOM 365 CA ASN A 26 78.739 -13.556 2.994 1.00 0.00 C ATOM 366 C ASN A 26 77.405 -14.127 2.505 1.00 0.00 C ATOM 367 O ASN A 26 76.355 -13.762 2.996 1.00 0.00 O ATOM 368 CB ASN A 26 78.713 -13.338 4.504 1.00 0.00 C ATOM 369 CG ASN A 26 78.675 -14.690 5.217 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.934 -15.572 4.832 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.448 -14.892 6.249 1.00 0.00 N ATOM 0 H ASN A 26 79.344 -11.514 3.080 1.00 0.00 H new ATOM 0 HA ASN A 26 79.509 -14.266 2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.593 -12.776 4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.841 -12.745 4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.430 -15.790 6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 26 80.070 -14.152 6.573 1.00 0.00 H new ATOM 378 N PRO A 27 77.496 -15.006 1.544 1.00 0.00 N ATOM 379 CA PRO A 27 76.285 -15.639 0.968 1.00 0.00 C ATOM 380 C PRO A 27 75.741 -16.727 1.902 1.00 0.00 C ATOM 381 O PRO A 27 74.836 -17.458 1.553 1.00 0.00 O ATOM 382 CB PRO A 27 76.789 -16.251 -0.334 1.00 0.00 C ATOM 383 CG PRO A 27 78.253 -16.480 -0.123 1.00 0.00 C ATOM 384 CD PRO A 27 78.727 -15.480 0.903 1.00 0.00 C ATOM 0 HA PRO A 27 75.467 -14.933 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 27 76.273 -17.185 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.613 -15.582 -1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.436 -17.498 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.799 -16.357 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.400 -15.941 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 27 79.273 -14.660 0.437 1.00 0.00 H new ATOM 392 N ASN A 28 76.276 -16.838 3.090 1.00 0.00 N ATOM 393 CA ASN A 28 75.775 -17.873 4.037 1.00 0.00 C ATOM 394 C ASN A 28 75.073 -17.181 5.201 1.00 0.00 C ATOM 395 O ASN A 28 74.305 -17.777 5.930 1.00 0.00 O ATOM 396 CB ASN A 28 77.024 -18.613 4.520 1.00 0.00 C ATOM 397 CG ASN A 28 77.383 -19.713 3.521 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.906 -20.826 3.628 1.00 0.00 O ATOM 399 ND2 ASN A 28 78.210 -19.450 2.546 1.00 0.00 N ATOM 0 H ASN A 28 77.036 -16.257 3.443 1.00 0.00 H new ATOM 0 HA ASN A 28 75.061 -18.558 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.855 -17.916 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.846 -19.045 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.455 -20.178 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 28 78.611 -18.517 2.455 1.00 0.00 H new ATOM 406 N LYS A 29 75.331 -15.915 5.366 1.00 0.00 N ATOM 407 CA LYS A 29 74.690 -15.149 6.462 1.00 0.00 C ATOM 408 C LYS A 29 73.467 -14.413 5.922 1.00 0.00 C ATOM 409 O LYS A 29 72.891 -14.795 4.924 1.00 0.00 O ATOM 410 CB LYS A 29 75.757 -14.150 6.903 1.00 0.00 C ATOM 411 CG LYS A 29 75.893 -14.196 8.419 1.00 0.00 C ATOM 412 CD LYS A 29 77.131 -15.009 8.796 1.00 0.00 C ATOM 413 CE LYS A 29 77.059 -15.385 10.276 1.00 0.00 C ATOM 414 NZ LYS A 29 76.752 -16.843 10.288 1.00 0.00 N ATOM 0 H LYS A 29 75.967 -15.374 4.780 1.00 0.00 H new ATOM 0 HA LYS A 29 74.353 -15.782 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.711 -14.389 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.486 -13.145 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.974 -13.185 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.003 -14.643 8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 29 77.190 -15.909 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 29 78.034 -14.430 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 29 78.001 -15.176 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.286 -14.815 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.687 -17.176 11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.847 -17.011 9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.508 -17.361 9.797 1.00 0.00 H new ATOM 428 N SER A 30 73.078 -13.350 6.562 1.00 0.00 N ATOM 429 CA SER A 30 71.905 -12.583 6.069 1.00 0.00 C ATOM 430 C SER A 30 72.382 -11.358 5.301 1.00 0.00 C ATOM 431 O SER A 30 73.349 -10.717 5.671 1.00 0.00 O ATOM 432 CB SER A 30 71.146 -12.147 7.312 1.00 0.00 C ATOM 433 OG SER A 30 71.297 -13.129 8.330 1.00 0.00 O ATOM 0 H SER A 30 73.520 -12.979 7.403 1.00 0.00 H new ATOM 0 HA SER A 30 71.281 -13.178 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.521 -11.185 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.090 -12.011 7.077 1.00 0.00 H new ATOM 0 HG SER A 30 70.809 -12.847 9.132 1.00 0.00 H new ATOM 439 N VAL A 31 71.715 -11.012 4.243 1.00 0.00 N ATOM 440 CA VAL A 31 72.152 -9.818 3.482 1.00 0.00 C ATOM 441 C VAL A 31 72.016 -8.581 4.370 1.00 0.00 C ATOM 442 O VAL A 31 72.892 -7.743 4.420 1.00 0.00 O ATOM 443 CB VAL A 31 71.233 -9.736 2.262 1.00 0.00 C ATOM 444 CG1 VAL A 31 71.875 -8.838 1.203 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.030 -11.135 1.674 1.00 0.00 C ATOM 0 H VAL A 31 70.896 -11.497 3.875 1.00 0.00 H new ATOM 0 HA VAL A 31 73.194 -9.878 3.168 1.00 0.00 H new ATOM 0 HB VAL A 31 70.270 -9.324 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.222 -8.778 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.024 -7.840 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 31 72.837 -9.256 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.375 -11.073 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 31 71.993 -11.547 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.577 -11.783 2.424 1.00 0.00 H new ATOM 455 N ALA A 32 70.935 -8.476 5.092 1.00 0.00 N ATOM 456 CA ALA A 32 70.760 -7.302 5.994 1.00 0.00 C ATOM 457 C ALA A 32 71.929 -7.233 6.978 1.00 0.00 C ATOM 458 O ALA A 32 72.411 -6.170 7.316 1.00 0.00 O ATOM 459 CB ALA A 32 69.447 -7.558 6.733 1.00 0.00 C ATOM 0 H ALA A 32 70.168 -9.149 5.097 1.00 0.00 H new ATOM 0 HA ALA A 32 70.737 -6.357 5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.249 -6.734 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.633 -7.635 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.522 -8.488 7.296 1.00 0.00 H new ATOM 465 N GLU A 33 72.395 -8.365 7.434 1.00 0.00 N ATOM 466 CA GLU A 33 73.540 -8.372 8.388 1.00 0.00 C ATOM 467 C GLU A 33 74.801 -7.877 7.680 1.00 0.00 C ATOM 468 O GLU A 33 75.672 -7.283 8.283 1.00 0.00 O ATOM 469 CB GLU A 33 73.706 -9.834 8.815 1.00 0.00 C ATOM 470 CG GLU A 33 72.470 -10.287 9.595 1.00 0.00 C ATOM 471 CD GLU A 33 72.484 -9.657 10.989 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.114 -8.625 11.146 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.863 -10.220 11.878 1.00 0.00 O ATOM 0 H GLU A 33 72.031 -9.285 7.186 1.00 0.00 H new ATOM 0 HA GLU A 33 73.368 -7.721 9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.846 -10.466 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.598 -9.944 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.565 -9.996 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.457 -11.374 9.676 1.00 0.00 H new ATOM 480 N LEU A 34 74.900 -8.110 6.399 1.00 0.00 N ATOM 481 CA LEU A 34 76.098 -7.648 5.651 1.00 0.00 C ATOM 482 C LEU A 34 76.110 -6.123 5.600 1.00 0.00 C ATOM 483 O LEU A 34 77.141 -5.492 5.710 1.00 0.00 O ATOM 484 CB LEU A 34 75.931 -8.235 4.251 1.00 0.00 C ATOM 485 CG LEU A 34 76.547 -9.634 4.206 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.775 -10.501 3.210 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.008 -9.532 3.766 1.00 0.00 C ATOM 0 H LEU A 34 74.202 -8.601 5.841 1.00 0.00 H new ATOM 0 HA LEU A 34 77.035 -7.962 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.874 -8.283 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.412 -7.591 3.515 1.00 0.00 H new ATOM 0 HG LEU A 34 76.495 -10.086 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.215 -11.498 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.733 -10.573 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.826 -10.050 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.449 -10.528 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.059 -9.080 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.559 -8.915 4.475 1.00 0.00 H new ATOM 499 N LYS A 35 74.964 -5.526 5.441 1.00 0.00 N ATOM 500 CA LYS A 35 74.898 -4.040 5.387 1.00 0.00 C ATOM 501 C LYS A 35 75.311 -3.451 6.734 1.00 0.00 C ATOM 502 O LYS A 35 76.115 -2.546 6.805 1.00 0.00 O ATOM 503 CB LYS A 35 73.434 -3.722 5.077 1.00 0.00 C ATOM 504 CG LYS A 35 73.181 -3.904 3.579 1.00 0.00 C ATOM 505 CD LYS A 35 72.538 -5.266 3.328 1.00 0.00 C ATOM 506 CE LYS A 35 73.503 -6.141 2.525 1.00 0.00 C ATOM 507 NZ LYS A 35 73.892 -5.311 1.350 1.00 0.00 N ATOM 0 H LYS A 35 74.068 -6.004 5.346 1.00 0.00 H new ATOM 0 HA LYS A 35 75.569 -3.617 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.779 -4.378 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.201 -2.700 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.530 -3.111 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.119 -3.827 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 35 72.296 -5.747 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.601 -5.144 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.374 -6.416 3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.026 -7.069 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 74.018 -5.923 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 73.146 -4.613 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 74.784 -4.817 1.554 1.00 0.00 H new ATOM 521 N VAL A 36 74.779 -3.968 7.805 1.00 0.00 N ATOM 522 CA VAL A 36 75.158 -3.448 9.149 1.00 0.00 C ATOM 523 C VAL A 36 76.630 -3.741 9.408 1.00 0.00 C ATOM 524 O VAL A 36 77.321 -2.971 10.034 1.00 0.00 O ATOM 525 CB VAL A 36 74.296 -4.229 10.127 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.348 -3.563 11.503 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.849 -4.260 9.629 1.00 0.00 C ATOM 0 H VAL A 36 74.098 -4.728 7.809 1.00 0.00 H new ATOM 0 HA VAL A 36 75.010 -2.372 9.239 1.00 0.00 H new ATOM 0 HB VAL A 36 74.674 -5.249 10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.729 -4.125 12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.377 -3.547 11.861 1.00 0.00 H new ATOM 0 HG13 VAL A 36 73.974 -2.542 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.234 -4.821 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.470 -3.241 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.811 -4.740 8.651 1.00 0.00 H new ATOM 537 N ALA A 37 77.117 -4.849 8.926 1.00 0.00 N ATOM 538 CA ALA A 37 78.549 -5.176 9.145 1.00 0.00 C ATOM 539 C ALA A 37 79.408 -4.145 8.433 1.00 0.00 C ATOM 540 O ALA A 37 80.370 -3.640 8.974 1.00 0.00 O ATOM 541 CB ALA A 37 78.747 -6.565 8.540 1.00 0.00 C ATOM 0 H ALA A 37 76.587 -5.538 8.393 1.00 0.00 H new ATOM 0 HA ALA A 37 78.829 -5.165 10.198 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.785 -6.872 8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.094 -7.278 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.503 -6.537 7.478 1.00 0.00 H new ATOM 547 N ILE A 38 79.055 -3.808 7.229 1.00 0.00 N ATOM 548 CA ILE A 38 79.842 -2.787 6.497 1.00 0.00 C ATOM 549 C ILE A 38 79.480 -1.405 7.033 1.00 0.00 C ATOM 550 O ILE A 38 80.277 -0.484 7.014 1.00 0.00 O ATOM 551 CB ILE A 38 79.426 -2.927 5.031 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.739 -4.343 4.539 1.00 0.00 C ATOM 553 CG2 ILE A 38 80.202 -1.919 4.184 1.00 0.00 C ATOM 554 CD1 ILE A 38 81.149 -4.737 4.976 1.00 0.00 C ATOM 0 H ILE A 38 78.259 -4.194 6.722 1.00 0.00 H new ATOM 0 HA ILE A 38 80.918 -2.917 6.614 1.00 0.00 H new ATOM 0 HB ILE A 38 78.356 -2.738 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 38 79.012 -5.048 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.658 -4.388 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.907 -2.018 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.983 -0.909 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 38 81.271 -2.111 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 38 81.370 -5.745 4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.870 -4.038 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 38 81.214 -4.709 6.064 1.00 0.00 H new ATOM 566 N SER A 39 78.279 -1.258 7.531 1.00 0.00 N ATOM 567 CA SER A 39 77.865 0.059 8.081 1.00 0.00 C ATOM 568 C SER A 39 78.554 0.287 9.421 1.00 0.00 C ATOM 569 O SER A 39 78.884 1.397 9.782 1.00 0.00 O ATOM 570 CB SER A 39 76.351 -0.043 8.261 1.00 0.00 C ATOM 571 OG SER A 39 75.971 0.652 9.440 1.00 0.00 O ATOM 0 H SER A 39 77.573 -1.992 7.579 1.00 0.00 H new ATOM 0 HA SER A 39 78.135 0.892 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.841 0.380 7.395 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.051 -1.089 8.329 1.00 0.00 H new ATOM 0 HG SER A 39 75.000 0.590 9.558 1.00 0.00 H new ATOM 577 N GLU A 40 78.785 -0.764 10.158 1.00 0.00 N ATOM 578 CA GLU A 40 79.459 -0.615 11.471 1.00 0.00 C ATOM 579 C GLU A 40 80.965 -0.610 11.284 1.00 0.00 C ATOM 580 O GLU A 40 81.678 0.172 11.882 1.00 0.00 O ATOM 581 CB GLU A 40 79.047 -1.840 12.263 1.00 0.00 C ATOM 582 CG GLU A 40 78.600 -1.416 13.660 1.00 0.00 C ATOM 583 CD GLU A 40 78.554 -2.639 14.577 1.00 0.00 C ATOM 584 OE1 GLU A 40 77.705 -3.488 14.360 1.00 0.00 O ATOM 585 OE2 GLU A 40 79.369 -2.707 15.483 1.00 0.00 O ATOM 0 H GLU A 40 78.534 -1.720 9.904 1.00 0.00 H new ATOM 0 HA GLU A 40 79.186 0.315 11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.237 -2.361 11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.881 -2.539 12.333 1.00 0.00 H new ATOM 0 HG2 GLU A 40 79.288 -0.672 14.063 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.617 -0.948 13.612 1.00 0.00 H new ATOM 592 N LEU A 41 81.454 -1.485 10.460 1.00 0.00 N ATOM 593 CA LEU A 41 82.916 -1.539 10.238 1.00 0.00 C ATOM 594 C LEU A 41 83.412 -0.180 9.798 1.00 0.00 C ATOM 595 O LEU A 41 84.447 0.277 10.227 1.00 0.00 O ATOM 596 CB LEU A 41 83.136 -2.577 9.137 1.00 0.00 C ATOM 597 CG LEU A 41 84.544 -3.162 9.263 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.597 -4.521 8.563 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.552 -2.215 8.606 1.00 0.00 C ATOM 0 H LEU A 41 80.905 -2.164 9.932 1.00 0.00 H new ATOM 0 HA LEU A 41 83.459 -1.809 11.144 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.392 -3.370 9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.008 -2.117 8.157 1.00 0.00 H new ATOM 0 HG LEU A 41 84.791 -3.284 10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.600 -4.938 8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.880 -5.198 9.028 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.349 -4.397 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.555 -2.632 8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.303 -2.093 7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.517 -1.245 9.102 1.00 0.00 H new ATOM 611 N PHE A 42 82.679 0.477 8.955 1.00 0.00 N ATOM 612 CA PHE A 42 83.115 1.814 8.502 1.00 0.00 C ATOM 613 C PHE A 42 82.613 2.866 9.475 1.00 0.00 C ATOM 614 O PHE A 42 83.162 3.939 9.585 1.00 0.00 O ATOM 615 CB PHE A 42 82.434 1.994 7.159 1.00 0.00 C ATOM 616 CG PHE A 42 82.870 0.911 6.194 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.909 0.032 6.536 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.236 0.789 4.953 1.00 0.00 C ATOM 619 CE1 PHE A 42 84.308 -0.965 5.638 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.635 -0.207 4.055 1.00 0.00 C ATOM 621 CZ PHE A 42 83.671 -1.085 4.397 1.00 0.00 C ATOM 0 H PHE A 42 81.798 0.146 8.561 1.00 0.00 H new ATOM 0 HA PHE A 42 84.199 1.908 8.440 1.00 0.00 H new ATOM 0 HB2 PHE A 42 81.352 1.962 7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 42 82.678 2.974 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 42 84.401 0.125 7.493 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.437 1.465 4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 42 85.107 -1.642 5.902 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.144 -0.299 3.098 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.978 -1.854 3.704 1.00 0.00 H new ATOM 631 N ALA A 43 81.573 2.562 10.191 1.00 0.00 N ATOM 632 CA ALA A 43 81.045 3.557 11.166 1.00 0.00 C ATOM 633 C ALA A 43 81.957 3.583 12.382 1.00 0.00 C ATOM 634 O ALA A 43 81.957 4.514 13.161 1.00 0.00 O ATOM 635 CB ALA A 43 79.654 3.063 11.551 1.00 0.00 C ATOM 0 H ALA A 43 81.067 1.677 10.147 1.00 0.00 H new ATOM 0 HA ALA A 43 81.001 4.565 10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.209 3.752 12.268 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.027 3.011 10.661 1.00 0.00 H new ATOM 0 HB3 ALA A 43 79.731 2.072 11.999 1.00 0.00 H new ATOM 641 N LYS A 44 82.741 2.558 12.538 1.00 0.00 N ATOM 642 CA LYS A 44 83.667 2.505 13.690 1.00 0.00 C ATOM 643 C LYS A 44 85.076 2.854 13.229 1.00 0.00 C ATOM 644 O LYS A 44 85.805 3.557 13.900 1.00 0.00 O ATOM 645 CB LYS A 44 83.585 1.063 14.189 1.00 0.00 C ATOM 646 CG LYS A 44 84.623 0.843 15.283 1.00 0.00 C ATOM 647 CD LYS A 44 84.531 -0.597 15.792 1.00 0.00 C ATOM 648 CE LYS A 44 83.325 -0.734 16.725 1.00 0.00 C ATOM 649 NZ LYS A 44 82.252 -1.328 15.880 1.00 0.00 N ATOM 0 H LYS A 44 82.778 1.753 11.913 1.00 0.00 H new ATOM 0 HA LYS A 44 83.411 3.213 14.478 1.00 0.00 H new ATOM 0 HB2 LYS A 44 82.586 0.857 14.574 1.00 0.00 H new ATOM 0 HB3 LYS A 44 83.758 0.371 13.364 1.00 0.00 H new ATOM 0 HG2 LYS A 44 85.623 1.040 14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 44 84.456 1.541 16.103 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.434 -1.285 14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 44 85.445 -0.866 16.321 1.00 0.00 H new ATOM 0 HE2 LYS A 44 83.556 -1.373 17.577 1.00 0.00 H new ATOM 0 HE3 LYS A 44 83.023 0.234 17.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 81.363 -0.810 16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 82.523 -1.262 14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 82.120 -2.327 16.138 1.00 0.00 H new ATOM 663 N ASN A 45 85.457 2.391 12.076 1.00 0.00 N ATOM 664 CA ASN A 45 86.807 2.725 11.564 1.00 0.00 C ATOM 665 C ASN A 45 86.995 4.249 11.642 1.00 0.00 C ATOM 666 O ASN A 45 88.027 4.729 12.060 1.00 0.00 O ATOM 667 CB ASN A 45 86.807 2.218 10.106 1.00 0.00 C ATOM 668 CG ASN A 45 86.747 3.394 9.134 1.00 0.00 C ATOM 669 OD1 ASN A 45 85.607 3.984 8.939 1.00 0.00 O flip ATOM 670 ND2 ASN A 45 87.742 3.775 8.551 1.00 0.00 N flip ATOM 0 H ASN A 45 84.893 1.797 11.468 1.00 0.00 H new ATOM 0 HA ASN A 45 87.622 2.273 12.130 1.00 0.00 H new ATOM 0 HB2 ASN A 45 87.705 1.629 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 45 85.954 1.559 9.943 1.00 0.00 H new ATOM 0 HD21 ASN A 45 88.635 3.308 8.708 1.00 0.00 H new ATOM 0 HD22 ASN A 45 87.684 4.562 7.905 1.00 0.00 H new ATOM 677 N ASP A 46 85.962 4.980 11.250 1.00 0.00 N ATOM 678 CA ASP A 46 85.955 6.480 11.263 1.00 0.00 C ATOM 679 C ASP A 46 85.187 7.016 10.046 1.00 0.00 C ATOM 680 O ASP A 46 85.526 8.045 9.497 1.00 0.00 O ATOM 681 CB ASP A 46 87.407 6.964 11.187 1.00 0.00 C ATOM 682 CG ASP A 46 87.943 7.213 12.599 1.00 0.00 C ATOM 683 OD1 ASP A 46 87.153 7.161 13.529 1.00 0.00 O ATOM 684 OD2 ASP A 46 89.131 7.453 12.726 1.00 0.00 O ATOM 0 H ASP A 46 85.091 4.572 10.909 1.00 0.00 H new ATOM 0 HA ASP A 46 85.472 6.838 12.172 1.00 0.00 H new ATOM 0 HB2 ASP A 46 88.022 6.221 10.680 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.465 7.880 10.599 1.00 0.00 H new ATOM 689 N LEU A 47 84.158 6.333 9.613 1.00 0.00 N ATOM 690 CA LEU A 47 83.390 6.826 8.430 1.00 0.00 C ATOM 691 C LEU A 47 81.991 7.271 8.845 1.00 0.00 C ATOM 692 O LEU A 47 81.752 7.669 9.967 1.00 0.00 O ATOM 693 CB LEU A 47 83.284 5.630 7.480 1.00 0.00 C ATOM 694 CG LEU A 47 83.757 6.037 6.085 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.966 5.189 5.686 1.00 0.00 C ATOM 696 CD2 LEU A 47 82.624 5.811 5.081 1.00 0.00 C ATOM 0 H LEU A 47 83.819 5.463 10.023 1.00 0.00 H new ATOM 0 HA LEU A 47 83.883 7.681 7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.888 4.803 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.253 5.278 7.437 1.00 0.00 H new ATOM 0 HG LEU A 47 84.039 7.090 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.302 5.480 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 47 85.773 5.346 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.686 4.136 5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 47 82.958 6.100 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 47 82.345 4.757 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 47 81.761 6.414 5.364 1.00 0.00 H new ATOM 708 N ALA A 48 81.064 7.192 7.934 1.00 0.00 N ATOM 709 CA ALA A 48 79.664 7.589 8.238 1.00 0.00 C ATOM 710 C ALA A 48 78.742 7.040 7.155 1.00 0.00 C ATOM 711 O ALA A 48 78.007 7.766 6.514 1.00 0.00 O ATOM 712 CB ALA A 48 79.665 9.119 8.233 1.00 0.00 C ATOM 0 H ALA A 48 81.219 6.865 6.980 1.00 0.00 H new ATOM 0 HA ALA A 48 79.312 7.201 9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.661 9.484 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.357 9.485 8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 48 79.978 9.479 7.253 1.00 0.00 H new ATOM 718 N VAL A 49 78.787 5.755 6.950 1.00 0.00 N ATOM 719 CA VAL A 49 77.938 5.122 5.921 1.00 0.00 C ATOM 720 C VAL A 49 76.544 5.734 5.942 1.00 0.00 C ATOM 721 O VAL A 49 75.829 5.675 6.922 1.00 0.00 O ATOM 722 CB VAL A 49 77.898 3.637 6.287 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.130 2.937 5.716 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.879 3.464 7.811 1.00 0.00 C ATOM 0 H VAL A 49 79.388 5.111 7.464 1.00 0.00 H new ATOM 0 HA VAL A 49 78.327 5.270 4.914 1.00 0.00 H new ATOM 0 HB VAL A 49 76.994 3.196 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.101 1.879 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.139 3.043 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.031 3.389 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.851 2.402 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.776 3.911 8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.997 3.955 8.222 1.00 0.00 H new ATOM 734 N VAL A 50 76.173 6.333 4.856 1.00 0.00 N ATOM 735 CA VAL A 50 74.834 6.981 4.765 1.00 0.00 C ATOM 736 C VAL A 50 73.771 5.950 4.385 1.00 0.00 C ATOM 737 O VAL A 50 72.694 5.920 4.948 1.00 0.00 O ATOM 738 CB VAL A 50 74.979 8.038 3.666 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.860 9.070 3.790 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.327 8.748 3.811 1.00 0.00 C ATOM 0 H VAL A 50 76.743 6.406 4.013 1.00 0.00 H new ATOM 0 HA VAL A 50 74.522 7.420 5.713 1.00 0.00 H new ATOM 0 HB VAL A 50 74.921 7.549 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.968 9.820 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.895 8.574 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.918 9.554 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.428 9.500 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.381 9.231 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.133 8.020 3.721 1.00 0.00 H new ATOM 750 N ASP A 51 74.058 5.103 3.432 1.00 0.00 N ATOM 751 CA ASP A 51 73.047 4.082 3.028 1.00 0.00 C ATOM 752 C ASP A 51 73.730 2.789 2.569 1.00 0.00 C ATOM 753 O ASP A 51 74.895 2.776 2.225 1.00 0.00 O ATOM 754 CB ASP A 51 72.283 4.725 1.870 1.00 0.00 C ATOM 755 CG ASP A 51 71.476 3.655 1.131 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.382 3.353 1.577 1.00 0.00 O ATOM 757 OD2 ASP A 51 71.966 3.156 0.131 1.00 0.00 O ATOM 0 H ASP A 51 74.940 5.073 2.920 1.00 0.00 H new ATOM 0 HA ASP A 51 72.392 3.808 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 51 71.617 5.501 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.980 5.208 1.185 1.00 0.00 H new ATOM 762 N VAL A 52 73.006 1.702 2.557 1.00 0.00 N ATOM 763 CA VAL A 52 73.598 0.406 2.115 1.00 0.00 C ATOM 764 C VAL A 52 72.513 -0.488 1.507 1.00 0.00 C ATOM 765 O VAL A 52 71.635 -0.968 2.196 1.00 0.00 O ATOM 766 CB VAL A 52 74.167 -0.237 3.380 1.00 0.00 C ATOM 767 CG1 VAL A 52 73.061 -0.373 4.428 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.712 -1.618 3.034 1.00 0.00 C ATOM 0 H VAL A 52 72.026 1.656 2.836 1.00 0.00 H new ATOM 0 HA VAL A 52 74.365 0.548 1.354 1.00 0.00 H new ATOM 0 HB VAL A 52 74.967 0.386 3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.468 -0.832 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 52 72.665 0.614 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 52 72.260 -0.998 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.120 -2.083 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 52 73.908 -2.238 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.499 -1.522 2.286 1.00 0.00 H new ATOM 778 N ARG A 53 72.565 -0.717 0.223 1.00 0.00 N ATOM 779 CA ARG A 53 71.534 -1.582 -0.422 1.00 0.00 C ATOM 780 C ARG A 53 72.083 -2.996 -0.630 1.00 0.00 C ATOM 781 O ARG A 53 73.272 -3.232 -0.530 1.00 0.00 O ATOM 782 CB ARG A 53 71.241 -0.918 -1.767 1.00 0.00 C ATOM 783 CG ARG A 53 69.898 -0.189 -1.695 1.00 0.00 C ATOM 784 CD ARG A 53 70.138 1.322 -1.681 1.00 0.00 C ATOM 785 NE ARG A 53 70.457 1.673 -3.093 1.00 0.00 N ATOM 786 CZ ARG A 53 69.699 2.511 -3.743 1.00 0.00 C ATOM 787 NH1 ARG A 53 68.462 2.196 -4.015 1.00 0.00 N ATOM 788 NH2 ARG A 53 70.177 3.664 -4.125 1.00 0.00 N ATOM 0 H ARG A 53 73.275 -0.344 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 53 70.636 -1.677 0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.035 -0.215 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.218 -1.668 -2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.278 -0.462 -2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.356 -0.490 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.257 1.859 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 53 70.958 1.585 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 53 71.268 1.258 -3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.088 1.294 -3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 53 67.869 2.852 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 53 71.144 3.910 -3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 53 69.583 4.319 -4.634 1.00 0.00 H new ATOM 802 N THR A 54 71.227 -3.939 -0.911 1.00 0.00 N ATOM 803 CA THR A 54 71.690 -5.333 -1.117 1.00 0.00 C ATOM 804 C THR A 54 72.076 -5.563 -2.581 1.00 0.00 C ATOM 805 O THR A 54 71.723 -4.799 -3.456 1.00 0.00 O ATOM 806 CB THR A 54 70.481 -6.186 -0.747 1.00 0.00 C ATOM 807 OG1 THR A 54 69.415 -5.907 -1.644 1.00 0.00 O ATOM 808 CG2 THR A 54 70.044 -5.869 0.682 1.00 0.00 C ATOM 0 H THR A 54 70.221 -3.799 -1.007 1.00 0.00 H new ATOM 0 HA THR A 54 72.572 -5.571 -0.523 1.00 0.00 H new ATOM 0 HB THR A 54 70.748 -7.241 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.638 -6.455 -1.409 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.180 -6.480 0.942 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.862 -6.085 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.778 -4.815 0.756 1.00 0.00 H new ATOM 816 N GLY A 55 72.797 -6.617 -2.848 1.00 0.00 N ATOM 817 CA GLY A 55 73.207 -6.911 -4.251 1.00 0.00 C ATOM 818 C GLY A 55 72.633 -8.265 -4.672 1.00 0.00 C ATOM 819 O GLY A 55 73.104 -9.305 -4.259 1.00 0.00 O ATOM 0 H GLY A 55 73.121 -7.290 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.848 -6.128 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.294 -6.924 -4.329 1.00 0.00 H new ATOM 823 N THR A 56 71.618 -8.260 -5.493 1.00 0.00 N ATOM 824 CA THR A 56 71.011 -9.549 -5.938 1.00 0.00 C ATOM 825 C THR A 56 70.325 -10.242 -4.755 1.00 0.00 C ATOM 826 O THR A 56 69.612 -9.621 -3.992 1.00 0.00 O ATOM 827 CB THR A 56 72.187 -10.381 -6.456 1.00 0.00 C ATOM 828 OG1 THR A 56 73.099 -9.532 -7.140 1.00 0.00 O ATOM 829 CG2 THR A 56 71.671 -11.455 -7.416 1.00 0.00 C ATOM 0 H THR A 56 71.183 -7.420 -5.875 1.00 0.00 H new ATOM 0 HA THR A 56 70.249 -9.411 -6.705 1.00 0.00 H new ATOM 0 HB THR A 56 72.692 -10.859 -5.617 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.989 -9.942 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.509 -12.047 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 56 70.970 -12.105 -6.892 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.166 -10.979 -8.257 1.00 0.00 H new ATOM 837 N ASN A 57 70.527 -11.523 -4.595 1.00 0.00 N ATOM 838 CA ASN A 57 69.877 -12.240 -3.460 1.00 0.00 C ATOM 839 C ASN A 57 70.662 -12.016 -2.165 1.00 0.00 C ATOM 840 O ASN A 57 70.101 -11.685 -1.139 1.00 0.00 O ATOM 841 CB ASN A 57 69.906 -13.716 -3.855 1.00 0.00 C ATOM 842 CG ASN A 57 68.475 -14.256 -3.917 1.00 0.00 C ATOM 843 OD1 ASN A 57 67.533 -13.499 -4.036 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.272 -15.543 -3.838 1.00 0.00 N ATOM 0 H ASN A 57 71.111 -12.102 -5.198 1.00 0.00 H new ATOM 0 HA ASN A 57 68.863 -11.885 -3.278 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.393 -13.835 -4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.490 -14.286 -3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 57 67.322 -15.913 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.063 -16.179 -3.738 1.00 0.00 H new ATOM 851 N ARG A 58 71.954 -12.195 -2.200 1.00 0.00 N ATOM 852 CA ARG A 58 72.767 -11.993 -0.966 1.00 0.00 C ATOM 853 C ARG A 58 74.252 -12.205 -1.264 1.00 0.00 C ATOM 854 O ARG A 58 74.983 -12.750 -0.461 1.00 0.00 O ATOM 855 CB ARG A 58 72.264 -13.052 0.013 1.00 0.00 C ATOM 856 CG ARG A 58 72.560 -14.446 -0.546 1.00 0.00 C ATOM 857 CD ARG A 58 71.256 -15.238 -0.660 1.00 0.00 C ATOM 858 NE ARG A 58 71.610 -16.449 -1.451 1.00 0.00 N ATOM 859 CZ ARG A 58 71.578 -17.627 -0.889 1.00 0.00 C ATOM 860 NH1 ARG A 58 70.443 -18.123 -0.476 1.00 0.00 N ATOM 861 NH2 ARG A 58 72.680 -18.309 -0.740 1.00 0.00 N ATOM 0 H ARG A 58 72.482 -12.472 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 58 72.666 -10.983 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.748 -12.927 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.193 -12.933 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 58 73.035 -14.364 -1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 58 73.260 -14.969 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 58 70.870 -15.507 0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.481 -14.654 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 58 71.877 -16.358 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 58 69.581 -17.590 -0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 58 70.418 -19.043 -0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 58 73.567 -17.922 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 58 72.655 -19.229 -0.301 1.00 0.00 H new ATOM 875 N LYS A 59 74.706 -11.781 -2.410 1.00 0.00 N ATOM 876 CA LYS A 59 76.146 -11.963 -2.748 1.00 0.00 C ATOM 877 C LYS A 59 76.844 -10.604 -2.843 1.00 0.00 C ATOM 878 O LYS A 59 78.041 -10.497 -2.670 1.00 0.00 O ATOM 879 CB LYS A 59 76.152 -12.666 -4.106 1.00 0.00 C ATOM 880 CG LYS A 59 75.306 -13.939 -4.027 1.00 0.00 C ATOM 881 CD LYS A 59 76.051 -15.090 -4.704 1.00 0.00 C ATOM 882 CE LYS A 59 75.359 -16.413 -4.369 1.00 0.00 C ATOM 883 NZ LYS A 59 76.253 -17.466 -4.926 1.00 0.00 N ATOM 0 H LYS A 59 74.145 -11.318 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 59 76.677 -12.539 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.756 -12.001 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.174 -12.913 -4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.100 -14.188 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.343 -13.779 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.070 -14.940 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.088 -15.114 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 59 75.233 -16.531 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 59 74.365 -16.463 -4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 75.845 -18.404 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 76.349 -17.332 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 77.190 -17.398 -4.479 1.00 0.00 H new ATOM 897 N PHE A 60 76.103 -9.564 -3.114 1.00 0.00 N ATOM 898 CA PHE A 60 76.726 -8.211 -3.217 1.00 0.00 C ATOM 899 C PHE A 60 75.839 -7.181 -2.515 1.00 0.00 C ATOM 900 O PHE A 60 74.845 -7.518 -1.903 1.00 0.00 O ATOM 901 CB PHE A 60 76.823 -7.892 -4.718 1.00 0.00 C ATOM 902 CG PHE A 60 76.986 -9.161 -5.524 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.220 -9.821 -5.553 1.00 0.00 C ATOM 904 CD2 PHE A 60 75.900 -9.675 -6.241 1.00 0.00 C ATOM 905 CE1 PHE A 60 78.366 -10.995 -6.301 1.00 0.00 C ATOM 906 CE2 PHE A 60 76.046 -10.849 -6.989 1.00 0.00 C ATOM 907 CZ PHE A 60 77.280 -11.509 -7.019 1.00 0.00 C ATOM 0 H PHE A 60 75.095 -9.591 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 60 77.708 -8.184 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.927 -7.363 -5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.668 -7.228 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.058 -9.425 -4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.948 -9.165 -6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 60 79.318 -11.505 -6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.207 -11.245 -7.542 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.394 -12.415 -7.596 1.00 0.00 H new ATOM 917 N GLY A 61 76.190 -5.929 -2.599 1.00 0.00 N ATOM 918 CA GLY A 61 75.363 -4.881 -1.937 1.00 0.00 C ATOM 919 C GLY A 61 75.895 -3.496 -2.303 1.00 0.00 C ATOM 920 O GLY A 61 77.056 -3.328 -2.608 1.00 0.00 O ATOM 0 H GLY A 61 77.012 -5.586 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.323 -4.975 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.386 -5.016 -0.856 1.00 0.00 H new ATOM 924 N TYR A 62 75.054 -2.499 -2.270 1.00 0.00 N ATOM 925 CA TYR A 62 75.513 -1.119 -2.610 1.00 0.00 C ATOM 926 C TYR A 62 75.579 -0.268 -1.353 1.00 0.00 C ATOM 927 O TYR A 62 75.090 -0.644 -0.306 1.00 0.00 O ATOM 928 CB TYR A 62 74.467 -0.570 -3.581 1.00 0.00 C ATOM 929 CG TYR A 62 74.389 -1.457 -4.801 1.00 0.00 C ATOM 930 CD1 TYR A 62 73.854 -2.747 -4.696 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.850 -0.990 -6.037 1.00 0.00 C ATOM 932 CE1 TYR A 62 73.779 -3.567 -5.827 1.00 0.00 C ATOM 933 CE2 TYR A 62 74.776 -1.811 -7.168 1.00 0.00 C ATOM 934 CZ TYR A 62 74.239 -3.100 -7.063 1.00 0.00 C ATOM 935 OH TYR A 62 74.165 -3.910 -8.178 1.00 0.00 O ATOM 0 H TYR A 62 74.068 -2.579 -2.022 1.00 0.00 H new ATOM 0 HA TYR A 62 76.510 -1.114 -3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.494 -0.521 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 62 74.728 0.447 -3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 62 73.499 -3.109 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.263 0.005 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 62 73.366 -4.561 -5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.133 -1.451 -8.121 1.00 0.00 H new ATOM 0 HH TYR A 62 74.526 -3.432 -8.954 1.00 0.00 H new ATOM 945 N VAL A 63 76.199 0.871 -1.442 1.00 0.00 N ATOM 946 CA VAL A 63 76.316 1.735 -0.244 1.00 0.00 C ATOM 947 C VAL A 63 76.547 3.192 -0.642 1.00 0.00 C ATOM 948 O VAL A 63 77.049 3.490 -1.707 1.00 0.00 O ATOM 949 CB VAL A 63 77.529 1.182 0.492 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.935 2.146 1.594 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.182 -0.175 1.106 1.00 0.00 C ATOM 0 H VAL A 63 76.628 1.239 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 63 75.412 1.727 0.365 1.00 0.00 H new ATOM 0 HB VAL A 63 78.354 1.062 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.803 1.751 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 63 78.185 3.113 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 63 77.109 2.266 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.051 -0.569 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.356 -0.056 1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.891 -0.868 0.316 1.00 0.00 H new ATOM 961 N ASP A 64 76.186 4.096 0.220 1.00 0.00 N ATOM 962 CA ASP A 64 76.374 5.539 -0.072 1.00 0.00 C ATOM 963 C ASP A 64 77.177 6.187 1.055 1.00 0.00 C ATOM 964 O ASP A 64 76.974 5.897 2.218 1.00 0.00 O ATOM 965 CB ASP A 64 74.965 6.114 -0.118 1.00 0.00 C ATOM 966 CG ASP A 64 74.080 5.237 -1.006 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.627 4.465 -1.775 1.00 0.00 O ATOM 968 OD2 ASP A 64 72.870 5.353 -0.902 1.00 0.00 O ATOM 0 H ASP A 64 75.763 3.893 1.126 1.00 0.00 H new ATOM 0 HA ASP A 64 76.915 5.714 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.550 6.166 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.990 7.133 -0.505 1.00 0.00 H new ATOM 973 N PHE A 65 78.085 7.060 0.719 1.00 0.00 N ATOM 974 CA PHE A 65 78.906 7.724 1.771 1.00 0.00 C ATOM 975 C PHE A 65 78.422 9.157 2.000 1.00 0.00 C ATOM 976 O PHE A 65 77.512 9.626 1.347 1.00 0.00 O ATOM 977 CB PHE A 65 80.334 7.695 1.232 1.00 0.00 C ATOM 978 CG PHE A 65 80.848 6.278 1.319 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.670 5.547 2.500 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.491 5.693 0.222 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.134 4.230 2.584 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.957 4.375 0.307 1.00 0.00 C ATOM 983 CZ PHE A 65 81.777 3.644 1.489 1.00 0.00 C ATOM 0 H PHE A 65 78.295 7.343 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 65 78.834 7.223 2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.357 8.044 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.971 8.365 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.175 6.000 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.628 6.257 -0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.996 3.666 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.455 3.922 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.135 2.627 1.554 1.00 0.00 H new ATOM 993 N GLU A 66 79.002 9.846 2.943 1.00 0.00 N ATOM 994 CA GLU A 66 78.545 11.236 3.233 1.00 0.00 C ATOM 995 C GLU A 66 79.627 12.263 2.896 1.00 0.00 C ATOM 996 O GLU A 66 79.547 13.406 3.299 1.00 0.00 O ATOM 997 CB GLU A 66 78.259 11.246 4.735 1.00 0.00 C ATOM 998 CG GLU A 66 76.757 11.401 4.974 1.00 0.00 C ATOM 999 CD GLU A 66 76.452 12.833 5.415 1.00 0.00 C ATOM 1000 OE1 GLU A 66 77.303 13.426 6.057 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.374 13.312 5.102 1.00 0.00 O ATOM 0 H GLU A 66 79.770 9.509 3.524 1.00 0.00 H new ATOM 0 HA GLU A 66 77.674 11.503 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.615 10.321 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.799 12.064 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.207 11.166 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.425 10.697 5.737 1.00 0.00 H new ATOM 1008 N SER A 67 80.631 11.879 2.163 1.00 0.00 N ATOM 1009 CA SER A 67 81.701 12.863 1.816 1.00 0.00 C ATOM 1010 C SER A 67 82.828 12.225 1.020 1.00 0.00 C ATOM 1011 O SER A 67 82.864 11.032 0.783 1.00 0.00 O ATOM 1012 CB SER A 67 82.256 13.349 3.150 1.00 0.00 C ATOM 1013 OG SER A 67 82.569 12.226 3.964 1.00 0.00 O ATOM 0 H SER A 67 80.761 10.938 1.791 1.00 0.00 H new ATOM 0 HA SER A 67 81.290 13.664 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.147 13.955 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.526 13.984 3.651 1.00 0.00 H new ATOM 0 HG SER A 67 81.772 11.953 4.465 1.00 0.00 H new ATOM 1019 N ALA A 68 83.778 13.032 0.656 1.00 0.00 N ATOM 1020 CA ALA A 68 84.962 12.530 -0.078 1.00 0.00 C ATOM 1021 C ALA A 68 85.857 11.837 0.930 1.00 0.00 C ATOM 1022 O ALA A 68 86.675 10.998 0.606 1.00 0.00 O ATOM 1023 CB ALA A 68 85.648 13.786 -0.598 1.00 0.00 C ATOM 0 H ALA A 68 83.783 14.035 0.840 1.00 0.00 H new ATOM 0 HA ALA A 68 84.725 11.835 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.541 13.508 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.965 14.330 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.930 14.421 0.242 1.00 0.00 H new ATOM 1029 N GLU A 69 85.689 12.207 2.162 1.00 0.00 N ATOM 1030 CA GLU A 69 86.495 11.616 3.248 1.00 0.00 C ATOM 1031 C GLU A 69 85.902 10.265 3.647 1.00 0.00 C ATOM 1032 O GLU A 69 86.596 9.386 4.122 1.00 0.00 O ATOM 1033 CB GLU A 69 86.377 12.636 4.372 1.00 0.00 C ATOM 1034 CG GLU A 69 87.749 12.862 4.998 1.00 0.00 C ATOM 1035 CD GLU A 69 87.734 12.393 6.455 1.00 0.00 C ATOM 1036 OE1 GLU A 69 86.825 12.778 7.171 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.633 11.658 6.828 1.00 0.00 O ATOM 0 H GLU A 69 85.013 12.908 2.465 1.00 0.00 H new ATOM 0 HA GLU A 69 87.533 11.425 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.983 13.576 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.675 12.282 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.509 12.317 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.013 13.918 4.948 1.00 0.00 H new ATOM 1044 N ASP A 70 84.630 10.080 3.420 1.00 0.00 N ATOM 1045 CA ASP A 70 84.004 8.776 3.747 1.00 0.00 C ATOM 1046 C ASP A 70 84.276 7.834 2.587 1.00 0.00 C ATOM 1047 O ASP A 70 84.362 6.632 2.741 1.00 0.00 O ATOM 1048 CB ASP A 70 82.506 9.060 3.869 1.00 0.00 C ATOM 1049 CG ASP A 70 82.245 9.940 5.091 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.037 9.884 6.019 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.258 10.656 5.079 1.00 0.00 O ATOM 0 H ASP A 70 84.001 10.778 3.022 1.00 0.00 H new ATOM 0 HA ASP A 70 84.387 8.326 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.146 9.557 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 70 81.955 8.124 3.959 1.00 0.00 H new ATOM 1056 N LEU A 71 84.426 8.390 1.417 1.00 0.00 N ATOM 1057 CA LEU A 71 84.708 7.554 0.228 1.00 0.00 C ATOM 1058 C LEU A 71 86.190 7.170 0.211 1.00 0.00 C ATOM 1059 O LEU A 71 86.559 6.094 -0.217 1.00 0.00 O ATOM 1060 CB LEU A 71 84.354 8.434 -0.974 1.00 0.00 C ATOM 1061 CG LEU A 71 84.633 7.678 -2.277 1.00 0.00 C ATOM 1062 CD1 LEU A 71 86.138 7.654 -2.548 1.00 0.00 C ATOM 1063 CD2 LEU A 71 84.113 6.242 -2.163 1.00 0.00 C ATOM 0 H LEU A 71 84.364 9.392 1.237 1.00 0.00 H new ATOM 0 HA LEU A 71 84.137 6.625 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.303 8.721 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.937 9.354 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 71 84.125 8.183 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 71 86.332 7.115 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 71 86.508 8.675 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 71 86.648 7.154 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 71 84.313 5.708 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.616 5.737 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 71 83.039 6.258 -1.978 1.00 0.00 H new ATOM 1075 N GLU A 72 87.040 8.043 0.683 1.00 0.00 N ATOM 1076 CA GLU A 72 88.498 7.731 0.705 1.00 0.00 C ATOM 1077 C GLU A 72 88.791 6.708 1.805 1.00 0.00 C ATOM 1078 O GLU A 72 89.572 5.790 1.626 1.00 0.00 O ATOM 1079 CB GLU A 72 89.185 9.062 1.012 1.00 0.00 C ATOM 1080 CG GLU A 72 90.440 9.201 0.148 1.00 0.00 C ATOM 1081 CD GLU A 72 90.046 9.654 -1.258 1.00 0.00 C ATOM 1082 OE1 GLU A 72 89.649 8.808 -2.042 1.00 0.00 O ATOM 1083 OE2 GLU A 72 90.148 10.840 -1.527 1.00 0.00 O ATOM 0 H GLU A 72 86.787 8.959 1.054 1.00 0.00 H new ATOM 0 HA GLU A 72 88.848 7.304 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.503 9.889 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.451 9.111 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 72 91.124 9.922 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.968 8.249 0.100 1.00 0.00 H new ATOM 1090 N LYS A 73 88.144 6.836 2.932 1.00 0.00 N ATOM 1091 CA LYS A 73 88.361 5.857 4.022 1.00 0.00 C ATOM 1092 C LYS A 73 87.534 4.623 3.706 1.00 0.00 C ATOM 1093 O LYS A 73 87.762 3.548 4.225 1.00 0.00 O ATOM 1094 CB LYS A 73 87.857 6.542 5.291 1.00 0.00 C ATOM 1095 CG LYS A 73 89.046 6.906 6.182 1.00 0.00 C ATOM 1096 CD LYS A 73 88.863 8.324 6.725 1.00 0.00 C ATOM 1097 CE LYS A 73 89.794 9.282 5.980 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.654 9.883 7.037 1.00 0.00 N ATOM 0 H LYS A 73 87.476 7.578 3.140 1.00 0.00 H new ATOM 0 HA LYS A 73 89.402 5.554 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.294 7.439 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.176 5.881 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.126 6.197 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.974 6.840 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 73 87.827 8.640 6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.080 8.346 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.392 8.754 5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.229 10.048 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 91.583 10.120 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.204 10.747 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.776 9.202 7.814 1.00 0.00 H new ATOM 1112 N ALA A 74 86.575 4.779 2.834 1.00 0.00 N ATOM 1113 CA ALA A 74 85.731 3.629 2.454 1.00 0.00 C ATOM 1114 C ALA A 74 86.493 2.754 1.459 1.00 0.00 C ATOM 1115 O ALA A 74 86.292 1.558 1.383 1.00 0.00 O ATOM 1116 CB ALA A 74 84.492 4.240 1.803 1.00 0.00 C ATOM 0 H ALA A 74 86.345 5.659 2.372 1.00 0.00 H new ATOM 0 HA ALA A 74 85.463 3.001 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.814 3.445 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.987 4.888 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.789 4.824 0.932 1.00 0.00 H new ATOM 1122 N LEU A 75 87.378 3.350 0.706 1.00 0.00 N ATOM 1123 CA LEU A 75 88.172 2.564 -0.275 1.00 0.00 C ATOM 1124 C LEU A 75 89.309 1.857 0.455 1.00 0.00 C ATOM 1125 O LEU A 75 89.568 0.690 0.241 1.00 0.00 O ATOM 1126 CB LEU A 75 88.719 3.593 -1.266 1.00 0.00 C ATOM 1127 CG LEU A 75 89.348 2.870 -2.458 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.499 3.847 -3.625 1.00 0.00 C ATOM 1129 CD2 LEU A 75 90.725 2.335 -2.061 1.00 0.00 C ATOM 0 H LEU A 75 87.584 4.349 0.730 1.00 0.00 H new ATOM 0 HA LEU A 75 87.583 1.800 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.917 4.248 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.461 4.225 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 75 88.708 2.040 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 75 89.947 3.332 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.518 4.230 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.139 4.677 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 75 91.174 1.820 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.365 3.165 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 75 90.619 1.639 -1.229 1.00 0.00 H new ATOM 1141 N GLU A 76 89.980 2.550 1.336 1.00 0.00 N ATOM 1142 CA GLU A 76 91.082 1.901 2.093 1.00 0.00 C ATOM 1143 C GLU A 76 90.493 0.845 3.026 1.00 0.00 C ATOM 1144 O GLU A 76 91.125 -0.136 3.359 1.00 0.00 O ATOM 1145 CB GLU A 76 91.729 3.023 2.898 1.00 0.00 C ATOM 1146 CG GLU A 76 93.158 3.253 2.402 1.00 0.00 C ATOM 1147 CD GLU A 76 94.132 3.126 3.574 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.964 3.854 4.539 1.00 0.00 O ATOM 1149 OE2 GLU A 76 95.028 2.304 3.488 1.00 0.00 O ATOM 0 H GLU A 76 89.812 3.531 1.561 1.00 0.00 H new ATOM 0 HA GLU A 76 91.805 1.406 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.147 3.939 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.738 2.766 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.407 2.527 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.243 4.241 1.950 1.00 0.00 H new ATOM 1156 N LEU A 77 89.271 1.045 3.437 1.00 0.00 N ATOM 1157 CA LEU A 77 88.610 0.062 4.338 1.00 0.00 C ATOM 1158 C LEU A 77 88.342 -1.235 3.581 1.00 0.00 C ATOM 1159 O LEU A 77 87.938 -2.229 4.148 1.00 0.00 O ATOM 1160 CB LEU A 77 87.294 0.722 4.726 1.00 0.00 C ATOM 1161 CG LEU A 77 87.522 1.618 5.936 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.291 2.496 6.146 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.757 0.744 7.168 1.00 0.00 C ATOM 0 H LEU A 77 88.700 1.852 3.185 1.00 0.00 H new ATOM 0 HA LEU A 77 89.221 -0.188 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.907 1.308 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.546 -0.037 4.956 1.00 0.00 H new ATOM 0 HG LEU A 77 88.393 2.253 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.447 3.140 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.127 3.110 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 77 85.419 1.865 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.921 1.379 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 77 86.885 0.113 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 77 88.633 0.116 7.007 1.00 0.00 H new ATOM 1175 N THR A 78 88.565 -1.223 2.298 1.00 0.00 N ATOM 1176 CA THR A 78 88.324 -2.444 1.473 1.00 0.00 C ATOM 1177 C THR A 78 89.128 -3.635 1.988 1.00 0.00 C ATOM 1178 O THR A 78 88.936 -4.758 1.565 1.00 0.00 O ATOM 1179 CB THR A 78 88.760 -2.066 0.056 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.014 -0.939 -0.382 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.514 -3.244 -0.887 1.00 0.00 C ATOM 0 H THR A 78 88.907 -0.414 1.779 1.00 0.00 H new ATOM 0 HA THR A 78 87.278 -2.750 1.512 1.00 0.00 H new ATOM 0 HB THR A 78 89.822 -1.821 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.622 -0.188 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 78 88.825 -2.973 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.088 -4.107 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.453 -3.493 -0.889 1.00 0.00 H new ATOM 1189 N GLY A 79 90.011 -3.403 2.903 1.00 0.00 N ATOM 1190 CA GLY A 79 90.822 -4.522 3.464 1.00 0.00 C ATOM 1191 C GLY A 79 90.053 -5.186 4.615 1.00 0.00 C ATOM 1192 O GLY A 79 90.636 -5.750 5.519 1.00 0.00 O ATOM 0 H GLY A 79 90.213 -2.483 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.037 -5.255 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.781 -4.146 3.822 1.00 0.00 H new ATOM 1196 N LEU A 80 88.747 -5.116 4.590 1.00 0.00 N ATOM 1197 CA LEU A 80 87.934 -5.729 5.670 1.00 0.00 C ATOM 1198 C LEU A 80 87.501 -7.141 5.284 1.00 0.00 C ATOM 1199 O LEU A 80 88.055 -7.755 4.395 1.00 0.00 O ATOM 1200 CB LEU A 80 86.720 -4.810 5.781 1.00 0.00 C ATOM 1201 CG LEU A 80 85.841 -4.956 4.536 1.00 0.00 C ATOM 1202 CD1 LEU A 80 84.406 -5.273 4.959 1.00 0.00 C ATOM 1203 CD2 LEU A 80 85.855 -3.647 3.745 1.00 0.00 C ATOM 0 H LEU A 80 88.208 -4.654 3.857 1.00 0.00 H new ATOM 0 HA LEU A 80 88.482 -5.822 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.146 -5.058 6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 80 87.045 -3.775 5.888 1.00 0.00 H new ATOM 0 HG LEU A 80 86.227 -5.764 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 80 83.780 -5.377 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 80 84.391 -6.204 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.023 -4.464 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 80 85.229 -3.751 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 80 85.469 -2.841 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.876 -3.415 3.443 1.00 0.00 H new ATOM 1215 N LYS A 81 86.508 -7.648 5.952 1.00 0.00 N ATOM 1216 CA LYS A 81 86.008 -9.017 5.643 1.00 0.00 C ATOM 1217 C LYS A 81 84.643 -9.216 6.262 1.00 0.00 C ATOM 1218 O LYS A 81 84.374 -10.212 6.898 1.00 0.00 O ATOM 1219 CB LYS A 81 86.998 -9.961 6.270 1.00 0.00 C ATOM 1220 CG LYS A 81 87.644 -10.830 5.191 1.00 0.00 C ATOM 1221 CD LYS A 81 88.857 -11.556 5.778 1.00 0.00 C ATOM 1222 CE LYS A 81 89.815 -11.944 4.649 1.00 0.00 C ATOM 1223 NZ LYS A 81 89.931 -13.426 4.737 1.00 0.00 N ATOM 0 H LYS A 81 86.015 -7.170 6.706 1.00 0.00 H new ATOM 0 HA LYS A 81 85.914 -9.183 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.764 -9.397 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.497 -10.591 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.922 -11.554 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.950 -10.212 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.366 -10.914 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.535 -12.446 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 81 89.427 -11.635 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.786 -11.464 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 90.573 -13.769 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.309 -13.690 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 88.993 -13.856 4.609 1.00 0.00 H new ATOM 1237 N VAL A 82 83.810 -8.256 6.041 1.00 0.00 N ATOM 1238 CA VAL A 82 82.394 -8.254 6.560 1.00 0.00 C ATOM 1239 C VAL A 82 82.159 -9.415 7.537 1.00 0.00 C ATOM 1240 O VAL A 82 82.890 -9.580 8.494 1.00 0.00 O ATOM 1241 CB VAL A 82 81.529 -8.345 5.292 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.679 -9.719 4.637 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.058 -8.090 5.645 1.00 0.00 C ATOM 0 H VAL A 82 84.048 -7.426 5.498 1.00 0.00 H new ATOM 0 HA VAL A 82 82.151 -7.364 7.140 1.00 0.00 H new ATOM 0 HB VAL A 82 81.865 -7.586 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 82 81.060 -9.765 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.722 -9.881 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 82 81.362 -10.492 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.451 -8.156 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 82 79.722 -8.837 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 82 79.955 -7.096 6.080 1.00 0.00 H new ATOM 1253 N PHE A 83 81.168 -10.223 7.321 1.00 0.00 N ATOM 1254 CA PHE A 83 80.939 -11.365 8.249 1.00 0.00 C ATOM 1255 C PHE A 83 82.022 -12.429 8.029 1.00 0.00 C ATOM 1256 O PHE A 83 82.061 -13.441 8.702 1.00 0.00 O ATOM 1257 CB PHE A 83 79.558 -11.911 7.884 1.00 0.00 C ATOM 1258 CG PHE A 83 78.533 -11.384 8.859 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.057 -10.073 8.735 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.058 -12.207 9.887 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.107 -9.585 9.639 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.108 -11.718 10.792 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.631 -10.407 10.668 1.00 0.00 C ATOM 0 H PHE A 83 80.507 -10.147 6.548 1.00 0.00 H new ATOM 0 HA PHE A 83 80.984 -11.069 9.297 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.295 -11.615 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.569 -13.001 7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.423 -9.438 7.942 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.424 -13.219 9.982 1.00 0.00 H new ATOM 0 HE1 PHE A 83 76.741 -8.574 9.543 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.743 -12.352 11.586 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.897 -10.030 11.365 1.00 0.00 H new ATOM 1273 N GLY A 84 82.903 -12.199 7.092 1.00 0.00 N ATOM 1274 CA GLY A 84 83.990 -13.177 6.813 1.00 0.00 C ATOM 1275 C GLY A 84 84.337 -13.135 5.323 1.00 0.00 C ATOM 1276 O GLY A 84 84.641 -14.143 4.717 1.00 0.00 O ATOM 0 H GLY A 84 82.914 -11.366 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 84 84.870 -12.940 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.674 -14.181 7.096 1.00 0.00 H new ATOM 1280 N ASN A 85 84.296 -11.972 4.727 1.00 0.00 N ATOM 1281 CA ASN A 85 84.623 -11.861 3.276 1.00 0.00 C ATOM 1282 C ASN A 85 84.904 -10.400 2.929 1.00 0.00 C ATOM 1283 O ASN A 85 84.010 -9.578 2.908 1.00 0.00 O ATOM 1284 CB ASN A 85 83.375 -12.358 2.544 1.00 0.00 C ATOM 1285 CG ASN A 85 83.490 -13.863 2.302 1.00 0.00 C ATOM 1286 OD1 ASN A 85 84.435 -14.321 1.691 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.560 -14.657 2.758 1.00 0.00 N ATOM 0 H ASN A 85 84.050 -11.094 5.184 1.00 0.00 H new ATOM 0 HA ASN A 85 85.505 -12.438 2.999 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.484 -12.141 3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 85 83.265 -11.834 1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.626 -15.663 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.767 -14.272 3.271 1.00 0.00 H new ATOM 1294 N GLU A 86 86.140 -10.065 2.680 1.00 0.00 N ATOM 1295 CA GLU A 86 86.477 -8.647 2.361 1.00 0.00 C ATOM 1296 C GLU A 86 85.576 -8.118 1.251 1.00 0.00 C ATOM 1297 O GLU A 86 85.900 -8.180 0.081 1.00 0.00 O ATOM 1298 CB GLU A 86 87.938 -8.669 1.921 1.00 0.00 C ATOM 1299 CG GLU A 86 88.071 -9.442 0.608 1.00 0.00 C ATOM 1300 CD GLU A 86 89.111 -10.551 0.770 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.286 -10.230 0.835 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.716 -11.704 0.824 1.00 0.00 O ATOM 0 H GLU A 86 86.930 -10.710 2.683 1.00 0.00 H new ATOM 0 HA GLU A 86 86.327 -7.988 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.304 -7.650 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.553 -9.134 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.109 -9.870 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.366 -8.767 -0.195 1.00 0.00 H new ATOM 1309 N ILE A 87 84.446 -7.590 1.617 1.00 0.00 N ATOM 1310 CA ILE A 87 83.517 -7.046 0.592 1.00 0.00 C ATOM 1311 C ILE A 87 84.294 -6.184 -0.399 1.00 0.00 C ATOM 1312 O ILE A 87 85.229 -5.494 -0.042 1.00 0.00 O ATOM 1313 CB ILE A 87 82.507 -6.199 1.364 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.251 -5.195 2.247 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.642 -7.107 2.237 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.306 -3.839 1.539 1.00 0.00 C ATOM 0 H ILE A 87 84.124 -7.511 2.582 1.00 0.00 H new ATOM 0 HA ILE A 87 83.023 -7.833 0.022 1.00 0.00 H new ATOM 0 HB ILE A 87 81.871 -5.661 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 87 82.747 -5.096 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.260 -5.552 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.921 -6.503 2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.111 -7.820 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.276 -7.647 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.836 -3.122 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.829 -3.946 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.292 -3.482 1.357 1.00 0.00 H new ATOM 1328 N LYS A 88 83.912 -6.221 -1.637 1.00 0.00 N ATOM 1329 CA LYS A 88 84.619 -5.407 -2.661 1.00 0.00 C ATOM 1330 C LYS A 88 83.694 -4.302 -3.167 1.00 0.00 C ATOM 1331 O LYS A 88 82.517 -4.290 -2.874 1.00 0.00 O ATOM 1332 CB LYS A 88 84.954 -6.386 -3.787 1.00 0.00 C ATOM 1333 CG LYS A 88 86.335 -6.994 -3.542 1.00 0.00 C ATOM 1334 CD LYS A 88 86.967 -7.380 -4.879 1.00 0.00 C ATOM 1335 CE LYS A 88 85.988 -8.246 -5.677 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.845 -9.216 -6.413 1.00 0.00 N ATOM 0 H LYS A 88 83.136 -6.782 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 88 85.514 -4.925 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.202 -7.173 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.937 -5.871 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.971 -6.279 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 88 86.249 -7.872 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.221 -6.484 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.896 -7.924 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 88 85.287 -8.759 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 88 85.396 -7.642 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 86.245 -9.845 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 87.497 -8.699 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 87.392 -9.782 -5.733 1.00 0.00 H new ATOM 1350 N LEU A 89 84.214 -3.373 -3.916 1.00 0.00 N ATOM 1351 CA LEU A 89 83.359 -2.273 -4.434 1.00 0.00 C ATOM 1352 C LEU A 89 83.233 -2.367 -5.951 1.00 0.00 C ATOM 1353 O LEU A 89 83.747 -3.272 -6.578 1.00 0.00 O ATOM 1354 CB LEU A 89 84.086 -0.992 -4.037 1.00 0.00 C ATOM 1355 CG LEU A 89 83.623 -0.546 -2.650 1.00 0.00 C ATOM 1356 CD1 LEU A 89 84.221 -1.474 -1.590 1.00 0.00 C ATOM 1357 CD2 LEU A 89 84.091 0.888 -2.392 1.00 0.00 C ATOM 0 H LEU A 89 85.195 -3.328 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 89 82.347 -2.313 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.163 -1.159 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.886 -0.208 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 89 82.535 -0.588 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.891 -1.157 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 89 83.889 -2.496 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.309 -1.431 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.761 1.206 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.179 0.930 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 89 83.667 1.550 -3.147 1.00 0.00 H new ATOM 1369 N GLU A 90 82.549 -1.433 -6.541 1.00 0.00 N ATOM 1370 CA GLU A 90 82.377 -1.449 -8.023 1.00 0.00 C ATOM 1371 C GLU A 90 81.652 -0.182 -8.486 1.00 0.00 C ATOM 1372 O GLU A 90 81.385 0.711 -7.708 1.00 0.00 O ATOM 1373 CB GLU A 90 81.526 -2.687 -8.311 1.00 0.00 C ATOM 1374 CG GLU A 90 82.383 -3.747 -9.005 1.00 0.00 C ATOM 1375 CD GLU A 90 81.760 -4.101 -10.356 1.00 0.00 C ATOM 1376 OE1 GLU A 90 81.208 -3.212 -10.983 1.00 0.00 O ATOM 1377 OE2 GLU A 90 81.846 -5.256 -10.741 1.00 0.00 O ATOM 0 H GLU A 90 82.098 -0.654 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 90 83.332 -1.479 -8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.119 -3.085 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.678 -2.420 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.397 -3.374 -9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.455 -4.638 -8.381 1.00 0.00 H new