USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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 30 MET CE :methyl -175:sc= -2.97! (180deg=-3.22!) USER MOD Set 1.2: A 81 LYS NZ :NH3+ 157:sc= -4.86! (180deg=-6.38!) USER MOD Set 2.1: A 58 MET CE :methyl 136:sc= -0.428 (180deg=-2.45!) USER MOD Set 2.2: A 61 CYS SG : rot -52:sc= -3.35 USER MOD Set 3.1: A 45 HIS : no HD1:sc= -3.97! C(o=-4.1!,f=-7.3!) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 131:sc= -0.112 (180deg=-0.854) USER MOD Set 4.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -0.419 (180deg=-1.68!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0717 USER MOD Single : A 38 GLN : amide:sc= -0.0918 K(o=-0.092,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.57) USER MOD Single : A 50 SER OG : rot -134:sc= 0.0239 USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00308 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.33) USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0682 K(o=-0.068,f=-0.96) USER MOD Single : A 80 THR OG1 : rot 86:sc= 0.955 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 51:sc= 0.071 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 5.936 4.797 2.608 1.00 0.00 N ATOM 200 CA LYS A 16 4.959 4.210 3.517 1.00 0.00 C ATOM 201 C LYS A 16 5.623 3.214 4.462 1.00 0.00 C ATOM 202 O LYS A 16 6.478 2.429 4.051 1.00 0.00 O ATOM 203 CB LYS A 16 3.849 3.514 2.725 1.00 0.00 C ATOM 204 CG LYS A 16 2.617 3.197 3.554 1.00 0.00 C ATOM 205 CD LYS A 16 1.396 2.976 2.678 1.00 0.00 C ATOM 206 CE LYS A 16 0.699 4.288 2.351 1.00 0.00 C ATOM 207 NZ LYS A 16 1.300 4.955 1.163 1.00 0.00 N ATOM 0 HA LYS A 16 4.525 5.014 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.559 4.148 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.241 2.588 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.801 2.306 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.424 4.015 4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.695 2.481 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.699 2.309 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.359 4.101 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.759 4.955 3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.567 5.494 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.054 5.601 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.699 4.236 0.526 1.00 0.00 H new ATOM 221 N ASP A 17 5.225 3.252 5.729 1.00 0.00 N ATOM 222 CA ASP A 17 5.780 2.351 6.732 1.00 0.00 C ATOM 223 C ASP A 17 5.385 0.906 6.443 1.00 0.00 C ATOM 224 O ASP A 17 4.204 0.562 6.452 1.00 0.00 O ATOM 225 CB ASP A 17 5.304 2.753 8.129 1.00 0.00 C ATOM 226 CG ASP A 17 3.839 3.140 8.152 1.00 0.00 C ATOM 227 OD1 ASP A 17 3.535 4.328 7.916 1.00 0.00 O ATOM 228 OD2 ASP A 17 2.995 2.255 8.406 1.00 0.00 O ATOM 0 H ASP A 17 4.520 3.897 6.086 1.00 0.00 H new ATOM 0 HA ASP A 17 6.867 2.427 6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.469 1.925 8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.904 3.590 8.487 1.00 0.00 H new ATOM 233 N TRP A 18 6.382 0.066 6.186 1.00 0.00 N ATOM 234 CA TRP A 18 6.138 -1.342 5.893 1.00 0.00 C ATOM 235 C TRP A 18 6.261 -2.189 7.155 1.00 0.00 C ATOM 236 O TRP A 18 5.525 -3.160 7.335 1.00 0.00 O ATOM 237 CB TRP A 18 7.120 -1.840 4.831 1.00 0.00 C ATOM 238 CG TRP A 18 7.150 -0.983 3.602 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.244 -0.376 3.054 1.00 0.00 C ATOM 240 CD2 TRP A 18 6.037 -0.638 2.770 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.877 0.327 1.931 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.529 0.181 1.735 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.674 -0.942 2.798 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.704 0.699 0.740 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.856 -0.427 1.810 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.374 0.385 0.792 1.00 0.00 C ATOM 0 H TRP A 18 7.366 0.335 6.175 1.00 0.00 H new ATOM 0 HA TRP A 18 5.122 -1.438 5.511 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.120 -1.880 5.262 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.853 -2.858 4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.249 -0.439 3.445 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.506 0.869 1.339 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.267 -1.568 3.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.100 1.326 -0.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.800 -0.654 1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.709 0.771 0.033 1.00 0.00 H new ATOM 257 N TYR A 19 7.193 -1.817 8.024 1.00 0.00 N ATOM 258 CA TYR A 19 7.413 -2.545 9.268 1.00 0.00 C ATOM 259 C TYR A 19 6.175 -2.491 10.157 1.00 0.00 C ATOM 260 O TYR A 19 6.063 -3.235 11.132 1.00 0.00 O ATOM 261 CB TYR A 19 8.617 -1.968 10.015 1.00 0.00 C ATOM 262 CG TYR A 19 9.947 -2.349 9.405 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.266 -3.678 9.159 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.885 -1.378 9.074 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.481 -4.030 8.602 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.101 -1.720 8.516 1.00 0.00 C ATOM 267 CZ TYR A 19 12.395 -3.047 8.283 1.00 0.00 C ATOM 268 OH TYR A 19 13.605 -3.394 7.727 1.00 0.00 O ATOM 0 H TYR A 19 7.809 -1.015 7.890 1.00 0.00 H new ATOM 0 HA TYR A 19 7.614 -3.587 9.019 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.534 -0.881 10.036 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.590 -2.310 11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.552 -4.450 9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.659 -0.338 9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.714 -5.068 8.418 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.818 -0.953 8.264 1.00 0.00 H new ATOM 0 HH TYR A 19 14.133 -2.585 7.561 1.00 0.00 H new ATOM 278 N SER A 20 5.246 -1.604 9.813 1.00 0.00 N ATOM 279 CA SER A 20 4.016 -1.449 10.581 1.00 0.00 C ATOM 280 C SER A 20 2.869 -2.217 9.931 1.00 0.00 C ATOM 281 O SER A 20 2.043 -2.819 10.617 1.00 0.00 O ATOM 282 CB SER A 20 3.649 0.031 10.703 1.00 0.00 C ATOM 283 OG SER A 20 2.908 0.277 11.886 1.00 0.00 O ATOM 0 H SER A 20 5.322 -0.982 9.008 1.00 0.00 H new ATOM 0 HA SER A 20 4.185 -1.857 11.577 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.556 0.635 10.706 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.066 0.337 9.835 1.00 0.00 H new ATOM 0 HG SER A 20 2.687 1.230 11.941 1.00 0.00 H new ATOM 289 N ILE A 21 2.826 -2.190 8.603 1.00 0.00 N ATOM 290 CA ILE A 21 1.782 -2.884 7.859 1.00 0.00 C ATOM 291 C ILE A 21 1.869 -4.392 8.066 1.00 0.00 C ATOM 292 O ILE A 21 0.850 -5.076 8.172 1.00 0.00 O ATOM 293 CB ILE A 21 1.866 -2.578 6.352 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.701 -1.077 6.104 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.809 -3.365 5.592 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.128 -0.642 4.720 1.00 0.00 C ATOM 0 H ILE A 21 3.502 -1.695 8.021 1.00 0.00 H new ATOM 0 HA ILE A 21 0.828 -2.522 8.242 1.00 0.00 H new ATOM 0 HB ILE A 21 2.848 -2.881 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.656 -0.805 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.284 -0.529 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.881 -3.138 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.968 -4.432 5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.181 -3.090 5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.983 0.433 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.181 -0.882 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.528 -1.163 3.974 1.00 0.00 H new ATOM 308 N LEU A 22 3.093 -4.906 8.123 1.00 0.00 N ATOM 309 CA LEU A 22 3.315 -6.334 8.319 1.00 0.00 C ATOM 310 C LEU A 22 3.487 -6.661 9.799 1.00 0.00 C ATOM 311 O LEU A 22 3.937 -7.748 10.157 1.00 0.00 O ATOM 312 CB LEU A 22 4.548 -6.791 7.537 1.00 0.00 C ATOM 313 CG LEU A 22 4.595 -6.389 6.063 1.00 0.00 C ATOM 314 CD1 LEU A 22 6.012 -6.507 5.522 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.638 -7.245 5.246 1.00 0.00 C ATOM 0 H LEU A 22 3.947 -4.355 8.036 1.00 0.00 H new ATOM 0 HA LEU A 22 2.439 -6.867 7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.435 -6.392 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.610 -7.877 7.599 1.00 0.00 H new ATOM 0 HG LEU A 22 4.282 -5.348 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.026 -6.217 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.673 -5.851 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.354 -7.538 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.685 -6.945 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.921 -8.294 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.622 -7.110 5.617 1.00 0.00 H new ATOM 327 N GLY A 23 3.123 -5.711 10.655 1.00 0.00 N ATOM 328 CA GLY A 23 3.243 -5.917 12.087 1.00 0.00 C ATOM 329 C GLY A 23 4.585 -6.504 12.478 1.00 0.00 C ATOM 330 O GLY A 23 4.655 -7.411 13.307 1.00 0.00 O ATOM 0 H GLY A 23 2.747 -4.803 10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.102 -4.966 12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.447 -6.582 12.423 1.00 0.00 H new ATOM 334 N ALA A 24 5.652 -5.987 11.878 1.00 0.00 N ATOM 335 CA ALA A 24 6.998 -6.466 12.169 1.00 0.00 C ATOM 336 C ALA A 24 7.875 -5.343 12.712 1.00 0.00 C ATOM 337 O ALA A 24 7.408 -4.223 12.919 1.00 0.00 O ATOM 338 CB ALA A 24 7.624 -7.070 10.920 1.00 0.00 C ATOM 0 H ALA A 24 5.611 -5.237 11.188 1.00 0.00 H new ATOM 0 HA ALA A 24 6.925 -7.237 12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.629 -7.424 11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.015 -7.906 10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.677 -6.313 10.137 1.00 0.00 H new ATOM 344 N ASP A 25 9.147 -5.650 12.941 1.00 0.00 N ATOM 345 CA ASP A 25 10.089 -4.665 13.460 1.00 0.00 C ATOM 346 C ASP A 25 11.261 -4.476 12.501 1.00 0.00 C ATOM 347 O ASP A 25 11.603 -5.362 11.718 1.00 0.00 O ATOM 348 CB ASP A 25 10.604 -5.096 14.835 1.00 0.00 C ATOM 349 CG ASP A 25 9.677 -4.676 15.958 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.726 -3.493 16.358 1.00 0.00 O ATOM 351 OD2 ASP A 25 8.901 -5.529 16.437 1.00 0.00 O ATOM 0 H ASP A 25 9.549 -6.573 12.776 1.00 0.00 H new ATOM 0 HA ASP A 25 9.566 -3.714 13.558 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.723 -6.179 14.852 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.591 -4.664 15.002 1.00 0.00 H new ATOM 356 N PRO A 26 11.890 -3.293 12.562 1.00 0.00 N ATOM 357 CA PRO A 26 13.032 -2.959 11.706 1.00 0.00 C ATOM 358 C PRO A 26 14.282 -3.753 12.070 1.00 0.00 C ATOM 359 O PRO A 26 15.319 -3.629 11.420 1.00 0.00 O ATOM 360 CB PRO A 26 13.250 -1.467 11.971 1.00 0.00 C ATOM 361 CG PRO A 26 12.692 -1.240 13.334 1.00 0.00 C ATOM 362 CD PRO A 26 11.536 -2.191 13.472 1.00 0.00 C ATOM 0 HA PRO A 26 12.840 -3.196 10.660 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.308 -1.207 11.928 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.741 -0.854 11.227 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.445 -1.427 14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.364 -0.207 13.455 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.422 -2.539 14.499 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.594 -1.722 13.188 1.00 0.00 H new ATOM 370 N SER A 27 14.175 -4.571 13.113 1.00 0.00 N ATOM 371 CA SER A 27 15.298 -5.383 13.566 1.00 0.00 C ATOM 372 C SER A 27 15.104 -6.845 13.172 1.00 0.00 C ATOM 373 O SER A 27 15.994 -7.673 13.362 1.00 0.00 O ATOM 374 CB SER A 27 15.458 -5.269 15.083 1.00 0.00 C ATOM 375 OG SER A 27 14.282 -5.687 15.753 1.00 0.00 O ATOM 0 H SER A 27 13.322 -4.689 13.660 1.00 0.00 H new ATOM 0 HA SER A 27 16.202 -5.011 13.084 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.302 -5.877 15.409 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.686 -4.237 15.351 1.00 0.00 H new ATOM 0 HG SER A 27 14.411 -5.606 16.721 1.00 0.00 H new ATOM 381 N ALA A 28 13.935 -7.153 12.621 1.00 0.00 N ATOM 382 CA ALA A 28 13.624 -8.513 12.198 1.00 0.00 C ATOM 383 C ALA A 28 14.464 -8.918 10.992 1.00 0.00 C ATOM 384 O ALA A 28 15.284 -8.140 10.505 1.00 0.00 O ATOM 385 CB ALA A 28 12.142 -8.640 11.879 1.00 0.00 C ATOM 0 H ALA A 28 13.187 -6.479 12.457 1.00 0.00 H new ATOM 0 HA ALA A 28 13.866 -9.188 13.019 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.924 -9.661 11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.557 -8.401 12.767 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.882 -7.950 11.077 1.00 0.00 H new ATOM 391 N ASN A 29 14.255 -10.140 10.514 1.00 0.00 N ATOM 392 CA ASN A 29 14.994 -10.649 9.365 1.00 0.00 C ATOM 393 C ASN A 29 14.042 -11.102 8.262 1.00 0.00 C ATOM 394 O ASN A 29 12.827 -11.141 8.455 1.00 0.00 O ATOM 395 CB ASN A 29 15.895 -11.812 9.786 1.00 0.00 C ATOM 396 CG ASN A 29 17.247 -11.343 10.287 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.653 -10.207 10.041 1.00 0.00 O ATOM 398 ND2 ASN A 29 17.952 -12.220 10.993 1.00 0.00 N ATOM 0 H ASN A 29 13.579 -10.797 10.905 1.00 0.00 H new ATOM 0 HA ASN A 29 15.613 -9.841 8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.400 -12.387 10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.037 -12.483 8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.870 -11.963 11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.575 -13.151 11.172 1.00 0.00 H new ATOM 405 N MET A 30 14.603 -11.444 7.107 1.00 0.00 N ATOM 406 CA MET A 30 13.804 -11.896 5.974 1.00 0.00 C ATOM 407 C MET A 30 12.872 -13.032 6.385 1.00 0.00 C ATOM 408 O MET A 30 11.697 -13.047 6.018 1.00 0.00 O ATOM 409 CB MET A 30 14.712 -12.354 4.832 1.00 0.00 C ATOM 410 CG MET A 30 13.958 -12.710 3.561 1.00 0.00 C ATOM 411 SD MET A 30 12.865 -11.387 3.008 1.00 0.00 S ATOM 412 CE MET A 30 14.052 -10.097 2.641 1.00 0.00 C ATOM 0 H MET A 30 15.607 -11.417 6.931 1.00 0.00 H new ATOM 0 HA MET A 30 13.198 -11.057 5.632 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.429 -11.564 4.610 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.285 -13.221 5.160 1.00 0.00 H new ATOM 0 HG2 MET A 30 14.673 -12.939 2.771 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.372 -13.613 3.732 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.524 -9.182 2.371 1.00 0.00 H new ATOM 0 HE2 MET A 30 14.672 -9.913 3.518 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.684 -10.410 1.809 1.00 0.00 H new ATOM 422 N SER A 31 13.404 -13.981 7.148 1.00 0.00 N ATOM 423 CA SER A 31 12.621 -15.123 7.605 1.00 0.00 C ATOM 424 C SER A 31 11.393 -14.663 8.384 1.00 0.00 C ATOM 425 O SER A 31 10.257 -14.914 7.979 1.00 0.00 O ATOM 426 CB SER A 31 13.479 -16.040 8.479 1.00 0.00 C ATOM 427 OG SER A 31 14.134 -17.024 7.697 1.00 0.00 O ATOM 0 H SER A 31 14.374 -13.982 7.463 1.00 0.00 H new ATOM 0 HA SER A 31 12.287 -15.677 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.219 -15.447 9.017 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.852 -16.524 9.228 1.00 0.00 H new ATOM 0 HG SER A 31 14.677 -17.596 8.279 1.00 0.00 H new ATOM 433 N ASP A 32 11.629 -13.988 9.503 1.00 0.00 N ATOM 434 CA ASP A 32 10.542 -13.490 10.339 1.00 0.00 C ATOM 435 C ASP A 32 9.494 -12.770 9.497 1.00 0.00 C ATOM 436 O ASP A 32 8.351 -13.216 9.394 1.00 0.00 O ATOM 437 CB ASP A 32 11.088 -12.548 11.414 1.00 0.00 C ATOM 438 CG ASP A 32 10.255 -12.571 12.680 1.00 0.00 C ATOM 439 OD1 ASP A 32 9.921 -13.678 13.151 1.00 0.00 O ATOM 440 OD2 ASP A 32 9.938 -11.481 13.201 1.00 0.00 O ATOM 0 H ASP A 32 12.563 -13.773 9.853 1.00 0.00 H new ATOM 0 HA ASP A 32 10.068 -14.344 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.114 -12.829 11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.119 -11.532 11.021 1.00 0.00 H new ATOM 445 N LEU A 33 9.891 -11.653 8.897 1.00 0.00 N ATOM 446 CA LEU A 33 8.986 -10.868 8.064 1.00 0.00 C ATOM 447 C LEU A 33 8.161 -11.774 7.155 1.00 0.00 C ATOM 448 O LEU A 33 6.934 -11.814 7.249 1.00 0.00 O ATOM 449 CB LEU A 33 9.776 -9.865 7.223 1.00 0.00 C ATOM 450 CG LEU A 33 10.673 -8.899 7.997 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.845 -8.453 7.137 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.873 -7.696 8.476 1.00 0.00 C ATOM 0 H LEU A 33 10.834 -11.270 8.972 1.00 0.00 H new ATOM 0 HA LEU A 33 8.306 -10.325 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.396 -10.420 6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.070 -9.280 6.633 1.00 0.00 H new ATOM 0 HG LEU A 33 11.067 -9.420 8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.472 -7.766 7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.433 -9.323 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.471 -7.950 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.528 -7.019 9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.450 -7.175 7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.068 -8.031 9.129 1.00 0.00 H new ATOM 464 N LYS A 34 8.842 -12.501 6.277 1.00 0.00 N ATOM 465 CA LYS A 34 8.174 -13.409 5.353 1.00 0.00 C ATOM 466 C LYS A 34 7.001 -14.111 6.031 1.00 0.00 C ATOM 467 O LYS A 34 5.911 -14.199 5.469 1.00 0.00 O ATOM 468 CB LYS A 34 9.164 -14.448 4.820 1.00 0.00 C ATOM 469 CG LYS A 34 8.565 -15.385 3.786 1.00 0.00 C ATOM 470 CD LYS A 34 9.504 -16.536 3.466 1.00 0.00 C ATOM 471 CE LYS A 34 9.323 -17.022 2.036 1.00 0.00 C ATOM 472 NZ LYS A 34 9.851 -18.402 1.848 1.00 0.00 N ATOM 0 H LYS A 34 9.858 -12.479 6.186 1.00 0.00 H new ATOM 0 HA LYS A 34 7.790 -12.820 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.017 -13.932 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.544 -15.037 5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.618 -15.779 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.345 -14.829 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.536 -16.218 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.321 -17.359 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.265 -17.000 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.833 -16.342 1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.709 -18.697 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.867 -18.419 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.347 -19.056 2.480 1.00 0.00 H new ATOM 486 N GLN A 35 7.234 -14.606 7.242 1.00 0.00 N ATOM 487 CA GLN A 35 6.196 -15.298 7.997 1.00 0.00 C ATOM 488 C GLN A 35 5.021 -14.369 8.284 1.00 0.00 C ATOM 489 O GLN A 35 3.861 -14.751 8.127 1.00 0.00 O ATOM 490 CB GLN A 35 6.766 -15.841 9.309 1.00 0.00 C ATOM 491 CG GLN A 35 7.971 -16.748 9.120 1.00 0.00 C ATOM 492 CD GLN A 35 7.583 -18.199 8.914 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.486 -18.499 8.444 1.00 0.00 O ATOM 494 NE2 GLN A 35 8.484 -19.108 9.267 1.00 0.00 N ATOM 0 H GLN A 35 8.132 -14.541 7.721 1.00 0.00 H new ATOM 0 HA GLN A 35 5.837 -16.131 7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.049 -15.003 9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.986 -16.392 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.548 -16.405 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.620 -16.670 9.992 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.381 -18.814 9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.279 -20.101 9.152 1.00 0.00 H new ATOM 503 N LYS A 36 5.329 -13.148 8.707 1.00 0.00 N ATOM 504 CA LYS A 36 4.299 -12.163 9.016 1.00 0.00 C ATOM 505 C LYS A 36 3.525 -11.773 7.760 1.00 0.00 C ATOM 506 O LYS A 36 2.298 -11.670 7.783 1.00 0.00 O ATOM 507 CB LYS A 36 4.927 -10.919 9.647 1.00 0.00 C ATOM 508 CG LYS A 36 5.034 -10.992 11.160 1.00 0.00 C ATOM 509 CD LYS A 36 6.341 -11.631 11.597 1.00 0.00 C ATOM 510 CE LYS A 36 6.659 -11.312 13.050 1.00 0.00 C ATOM 511 NZ LYS A 36 6.082 -12.323 13.979 1.00 0.00 N ATOM 0 H LYS A 36 6.284 -12.817 8.844 1.00 0.00 H new ATOM 0 HA LYS A 36 3.604 -12.611 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.922 -10.772 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.335 -10.045 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.961 -9.989 11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.197 -11.566 11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.281 -12.711 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.151 -11.277 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.740 -11.270 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.269 -10.325 13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.321 -12.070 14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.048 -12.345 13.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.474 -13.261 13.758 1.00 0.00 H new ATOM 525 N TYR A 37 4.248 -11.560 6.667 1.00 0.00 N ATOM 526 CA TYR A 37 3.629 -11.180 5.403 1.00 0.00 C ATOM 527 C TYR A 37 2.640 -12.246 4.939 1.00 0.00 C ATOM 528 O TYR A 37 1.478 -11.950 4.664 1.00 0.00 O ATOM 529 CB TYR A 37 4.699 -10.962 4.332 1.00 0.00 C ATOM 530 CG TYR A 37 4.151 -10.945 2.923 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.577 -9.796 2.393 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.207 -12.079 2.121 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.074 -9.776 1.107 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.708 -12.068 0.833 1.00 0.00 C ATOM 535 CZ TYR A 37 3.143 -10.914 0.330 1.00 0.00 C ATOM 536 OH TYR A 37 2.644 -10.900 -0.952 1.00 0.00 O ATOM 0 H TYR A 37 5.264 -11.644 6.631 1.00 0.00 H new ATOM 0 HA TYR A 37 3.086 -10.248 5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.208 -10.018 4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.447 -11.750 4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.523 -8.903 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.648 -12.984 2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.629 -8.875 0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.760 -12.958 0.223 1.00 0.00 H new ATOM 0 HH TYR A 37 2.772 -11.781 -1.363 1.00 0.00 H new ATOM 546 N GLN A 38 3.111 -13.486 4.858 1.00 0.00 N ATOM 547 CA GLN A 38 2.269 -14.596 4.428 1.00 0.00 C ATOM 548 C GLN A 38 0.967 -14.629 5.220 1.00 0.00 C ATOM 549 O GLN A 38 -0.122 -14.543 4.651 1.00 0.00 O ATOM 550 CB GLN A 38 3.014 -15.922 4.592 1.00 0.00 C ATOM 551 CG GLN A 38 3.974 -16.225 3.453 1.00 0.00 C ATOM 552 CD GLN A 38 4.151 -17.713 3.219 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.572 -18.537 3.927 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.955 -18.064 2.222 1.00 0.00 N ATOM 0 H GLN A 38 4.071 -13.747 5.084 1.00 0.00 H new ATOM 0 HA GLN A 38 2.029 -14.451 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.570 -15.903 5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.287 -16.731 4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.606 -15.759 2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.944 -15.778 3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.414 -17.347 1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.113 -19.051 2.017 1.00 0.00 H new ATOM 563 N LYS A 39 1.084 -14.755 6.538 1.00 0.00 N ATOM 564 CA LYS A 39 -0.083 -14.800 7.410 1.00 0.00 C ATOM 565 C LYS A 39 -0.978 -13.586 7.183 1.00 0.00 C ATOM 566 O LYS A 39 -2.167 -13.609 7.503 1.00 0.00 O ATOM 567 CB LYS A 39 0.352 -14.859 8.876 1.00 0.00 C ATOM 568 CG LYS A 39 0.857 -13.532 9.415 1.00 0.00 C ATOM 569 CD LYS A 39 0.793 -13.486 10.932 1.00 0.00 C ATOM 570 CE LYS A 39 -0.597 -13.109 11.421 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.696 -13.162 12.906 1.00 0.00 N ATOM 0 H LYS A 39 1.977 -14.828 7.026 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.651 -15.699 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.490 -15.191 9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.137 -15.608 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.885 -13.373 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.261 -12.719 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.071 -14.458 11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.519 -12.764 11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.843 -12.105 11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.332 -13.785 10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.658 -12.899 13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.486 -14.126 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.013 -12.498 13.323 1.00 0.00 H new ATOM 585 N LEU A 40 -0.400 -12.526 6.628 1.00 0.00 N ATOM 586 CA LEU A 40 -1.146 -11.302 6.356 1.00 0.00 C ATOM 587 C LEU A 40 -1.541 -11.220 4.885 1.00 0.00 C ATOM 588 O LEU A 40 -1.828 -10.139 4.369 1.00 0.00 O ATOM 589 CB LEU A 40 -0.314 -10.078 6.743 1.00 0.00 C ATOM 590 CG LEU A 40 -0.035 -9.900 8.236 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.894 -8.718 8.468 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.336 -9.717 9.003 1.00 0.00 C ATOM 0 H LEU A 40 0.583 -12.489 6.358 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.056 -11.319 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.641 -10.132 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.826 -9.186 6.381 1.00 0.00 H new ATOM 0 HG LEU A 40 0.457 -10.800 8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.081 -8.607 9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.838 -8.890 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.430 -7.810 8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.119 -9.592 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.856 -8.833 8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.967 -10.595 8.863 1.00 0.00 H new ATOM 604 N ILE A 41 -1.554 -12.368 4.216 1.00 0.00 N ATOM 605 CA ILE A 41 -1.916 -12.425 2.806 1.00 0.00 C ATOM 606 C ILE A 41 -3.222 -13.186 2.604 1.00 0.00 C ATOM 607 O ILE A 41 -4.070 -12.787 1.804 1.00 0.00 O ATOM 608 CB ILE A 41 -0.811 -13.094 1.967 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.353 -12.125 1.753 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.370 -13.563 0.633 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.071 -11.061 0.715 1.00 0.00 C ATOM 0 H ILE A 41 -1.318 -13.271 4.628 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.042 -11.395 2.471 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.440 -13.964 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.592 -11.642 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.235 -12.690 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.577 -14.034 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.169 -14.284 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.765 -12.709 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.940 -10.410 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.139 -11.535 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.791 -10.471 1.024 1.00 0.00 H new ATOM 623 N LEU A 42 -3.380 -14.284 3.336 1.00 0.00 N ATOM 624 CA LEU A 42 -4.585 -15.101 3.240 1.00 0.00 C ATOM 625 C LEU A 42 -5.689 -14.551 4.137 1.00 0.00 C ATOM 626 O LEU A 42 -6.836 -14.995 4.071 1.00 0.00 O ATOM 627 CB LEU A 42 -4.274 -16.549 3.623 1.00 0.00 C ATOM 628 CG LEU A 42 -3.284 -16.742 4.772 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.765 -16.014 6.019 1.00 0.00 C ATOM 630 CD2 LEU A 42 -3.083 -18.222 5.061 1.00 0.00 C ATOM 0 H LEU A 42 -2.689 -14.629 4.002 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.934 -15.071 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.209 -17.042 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.883 -17.060 2.743 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.325 -16.317 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.048 -16.163 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.856 -14.949 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.736 -16.408 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.375 -18.340 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.037 -18.672 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.693 -18.717 4.172 1.00 0.00 H new ATOM 642 N LEU A 43 -5.336 -13.581 4.973 1.00 0.00 N ATOM 643 CA LEU A 43 -6.298 -12.968 5.883 1.00 0.00 C ATOM 644 C LEU A 43 -7.128 -11.909 5.164 1.00 0.00 C ATOM 645 O LEU A 43 -8.236 -11.580 5.589 1.00 0.00 O ATOM 646 CB LEU A 43 -5.574 -12.342 7.076 1.00 0.00 C ATOM 647 CG LEU A 43 -5.157 -13.304 8.188 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.230 -12.611 9.174 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.381 -13.857 8.903 1.00 0.00 C ATOM 0 H LEU A 43 -4.391 -13.202 5.040 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.970 -13.748 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.682 -11.835 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.220 -11.578 7.508 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.617 -14.137 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.944 -13.312 9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.337 -12.265 8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.743 -11.759 9.619 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.064 -14.540 9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.949 -13.036 9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.008 -14.392 8.190 1.00 0.00 H new ATOM 661 N TYR A 44 -6.586 -11.380 4.073 1.00 0.00 N ATOM 662 CA TYR A 44 -7.277 -10.358 3.295 1.00 0.00 C ATOM 663 C TYR A 44 -7.361 -10.756 1.825 1.00 0.00 C ATOM 664 O TYR A 44 -7.572 -9.914 0.952 1.00 0.00 O ATOM 665 CB TYR A 44 -6.559 -9.013 3.430 1.00 0.00 C ATOM 666 CG TYR A 44 -6.228 -8.645 4.859 1.00 0.00 C ATOM 667 CD1 TYR A 44 -7.134 -7.940 5.643 1.00 0.00 C ATOM 668 CD2 TYR A 44 -5.010 -8.999 5.424 1.00 0.00 C ATOM 669 CE1 TYR A 44 -6.835 -7.600 6.948 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.703 -8.665 6.729 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.619 -7.966 7.487 1.00 0.00 C ATOM 672 OH TYR A 44 -5.317 -7.630 8.787 1.00 0.00 O ATOM 0 H TYR A 44 -5.671 -11.642 3.707 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.290 -10.263 3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.638 -9.042 2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.184 -8.232 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.088 -7.653 5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.290 -9.545 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.549 -7.051 7.543 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.751 -8.950 7.153 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.423 -7.963 9.012 1.00 0.00 H new ATOM 682 N HIS A 45 -7.195 -12.048 1.558 1.00 0.00 N ATOM 683 CA HIS A 45 -7.254 -12.561 0.194 1.00 0.00 C ATOM 684 C HIS A 45 -8.684 -12.536 -0.335 1.00 0.00 C ATOM 685 O HIS A 45 -9.641 -12.837 0.379 1.00 0.00 O ATOM 686 CB HIS A 45 -6.702 -13.985 0.138 1.00 0.00 C ATOM 687 CG HIS A 45 -6.121 -14.351 -1.194 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.870 -14.888 -2.219 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.856 -14.252 -1.665 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.091 -15.105 -3.264 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.864 -14.728 -2.954 1.00 0.00 N ATOM 0 H HIS A 45 -7.019 -12.758 2.268 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.641 -11.917 -0.437 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.934 -14.099 0.903 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.501 -14.685 0.381 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.000 -13.870 -1.128 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.404 -15.520 -4.211 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.054 -14.781 -3.571 1.00 0.00 H new ATOM 700 N PRO A 46 -8.836 -12.167 -1.615 1.00 0.00 N ATOM 701 CA PRO A 46 -10.147 -12.093 -2.268 1.00 0.00 C ATOM 702 C PRO A 46 -10.762 -13.471 -2.490 1.00 0.00 C ATOM 703 O PRO A 46 -11.944 -13.685 -2.218 1.00 0.00 O ATOM 704 CB PRO A 46 -9.838 -11.423 -3.609 1.00 0.00 C ATOM 705 CG PRO A 46 -8.407 -11.743 -3.872 1.00 0.00 C ATOM 706 CD PRO A 46 -7.740 -11.793 -2.525 1.00 0.00 C ATOM 0 HA PRO A 46 -10.874 -11.551 -1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.481 -11.807 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.000 -10.346 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.309 -12.696 -4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.948 -10.985 -4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.932 -12.525 -2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.305 -10.830 -2.256 1.00 0.00 H new ATOM 714 N ASP A 47 -9.954 -14.402 -2.984 1.00 0.00 N ATOM 715 CA ASP A 47 -10.419 -15.760 -3.241 1.00 0.00 C ATOM 716 C ASP A 47 -10.744 -16.479 -1.936 1.00 0.00 C ATOM 717 O ASP A 47 -11.744 -17.190 -1.838 1.00 0.00 O ATOM 718 CB ASP A 47 -9.362 -16.545 -4.021 1.00 0.00 C ATOM 719 CG ASP A 47 -9.503 -16.373 -5.520 1.00 0.00 C ATOM 720 OD1 ASP A 47 -8.954 -15.389 -6.059 1.00 0.00 O ATOM 721 OD2 ASP A 47 -10.163 -17.222 -6.155 1.00 0.00 O ATOM 0 H ASP A 47 -8.973 -14.241 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.329 -15.699 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.369 -16.218 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.441 -17.603 -3.771 1.00 0.00 H new ATOM 726 N LYS A 48 -9.892 -16.290 -0.934 1.00 0.00 N ATOM 727 CA LYS A 48 -10.087 -16.919 0.367 1.00 0.00 C ATOM 728 C LYS A 48 -11.158 -16.188 1.170 1.00 0.00 C ATOM 729 O LYS A 48 -10.971 -15.898 2.351 1.00 0.00 O ATOM 730 CB LYS A 48 -8.772 -16.938 1.150 1.00 0.00 C ATOM 731 CG LYS A 48 -7.586 -17.426 0.335 1.00 0.00 C ATOM 732 CD LYS A 48 -6.553 -18.114 1.212 1.00 0.00 C ATOM 733 CE LYS A 48 -5.250 -18.344 0.461 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.648 -17.066 -0.010 1.00 0.00 N ATOM 0 H LYS A 48 -9.059 -15.705 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.419 -17.944 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.562 -15.933 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.889 -17.578 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.931 -18.118 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.125 -16.583 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.362 -17.506 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.947 -19.069 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.543 -18.861 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.433 -18.996 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.643 -17.038 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.736 -17.001 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.145 -16.265 0.430 1.00 0.00 H new ATOM 748 N GLN A 49 -12.281 -15.896 0.521 1.00 0.00 N ATOM 749 CA GLN A 49 -13.382 -15.200 1.176 1.00 0.00 C ATOM 750 C GLN A 49 -14.581 -16.124 1.355 1.00 0.00 C ATOM 751 O GLN A 49 -14.528 -17.302 0.999 1.00 0.00 O ATOM 752 CB GLN A 49 -13.789 -13.968 0.366 1.00 0.00 C ATOM 753 CG GLN A 49 -12.751 -12.857 0.385 1.00 0.00 C ATOM 754 CD GLN A 49 -12.528 -12.290 1.773 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.338 -11.510 2.275 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.426 -12.681 2.403 1.00 0.00 N ATOM 0 H GLN A 49 -12.452 -16.130 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.042 -14.882 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.971 -14.266 -0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.730 -13.581 0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.807 -13.240 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.069 -12.057 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.782 -13.329 1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.224 -12.333 3.340 1.00 0.00 H new ATOM 765 N SER A 50 -15.662 -15.584 1.908 1.00 0.00 N ATOM 766 CA SER A 50 -16.874 -16.362 2.138 1.00 0.00 C ATOM 767 C SER A 50 -18.069 -15.446 2.383 1.00 0.00 C ATOM 768 O SER A 50 -17.986 -14.491 3.155 1.00 0.00 O ATOM 769 CB SER A 50 -16.684 -17.301 3.331 1.00 0.00 C ATOM 770 OG SER A 50 -17.901 -17.942 3.674 1.00 0.00 O ATOM 0 H SER A 50 -15.724 -14.610 2.205 1.00 0.00 H new ATOM 0 HA SER A 50 -17.070 -16.956 1.245 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.929 -18.050 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.313 -16.737 4.187 1.00 0.00 H new ATOM 0 HG SER A 50 -18.030 -17.901 4.645 1.00 0.00 H new ATOM 776 N ALA A 51 -19.181 -15.744 1.719 1.00 0.00 N ATOM 777 CA ALA A 51 -20.395 -14.950 1.865 1.00 0.00 C ATOM 778 C ALA A 51 -20.549 -14.441 3.294 1.00 0.00 C ATOM 779 O ALA A 51 -20.986 -13.312 3.517 1.00 0.00 O ATOM 780 CB ALA A 51 -21.612 -15.768 1.459 1.00 0.00 C ATOM 0 H ALA A 51 -19.266 -16.530 1.074 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.316 -14.085 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.512 -15.163 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.512 -16.077 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.686 -16.651 2.094 1.00 0.00 H new ATOM 786 N ASP A 52 -20.189 -15.281 4.258 1.00 0.00 N ATOM 787 CA ASP A 52 -20.288 -14.916 5.667 1.00 0.00 C ATOM 788 C ASP A 52 -19.907 -13.453 5.876 1.00 0.00 C ATOM 789 O ASP A 52 -20.646 -12.692 6.500 1.00 0.00 O ATOM 790 CB ASP A 52 -19.387 -15.816 6.513 1.00 0.00 C ATOM 791 CG ASP A 52 -19.871 -17.253 6.546 1.00 0.00 C ATOM 792 OD1 ASP A 52 -21.092 -17.471 6.402 1.00 0.00 O ATOM 793 OD2 ASP A 52 -19.029 -18.159 6.714 1.00 0.00 O ATOM 0 H ASP A 52 -19.826 -16.219 4.090 1.00 0.00 H new ATOM 0 HA ASP A 52 -21.323 -15.053 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.373 -15.786 6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.342 -15.427 7.530 1.00 0.00 H new ATOM 798 N VAL A 53 -18.748 -13.068 5.353 1.00 0.00 N ATOM 799 CA VAL A 53 -18.268 -11.697 5.482 1.00 0.00 C ATOM 800 C VAL A 53 -19.177 -10.724 4.739 1.00 0.00 C ATOM 801 O VAL A 53 -19.633 -10.988 3.626 1.00 0.00 O ATOM 802 CB VAL A 53 -16.832 -11.552 4.946 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.893 -12.508 5.666 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.798 -11.789 3.444 1.00 0.00 C ATOM 0 H VAL A 53 -18.123 -13.686 4.836 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.277 -11.458 6.545 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.492 -10.534 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.883 -12.391 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.896 -12.286 6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.227 -13.534 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.775 -11.683 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.157 -12.795 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.437 -11.060 2.946 1.00 0.00 H new ATOM 814 N PRO A 54 -19.448 -9.571 5.367 1.00 0.00 N ATOM 815 CA PRO A 54 -20.304 -8.534 4.783 1.00 0.00 C ATOM 816 C PRO A 54 -19.649 -7.844 3.591 1.00 0.00 C ATOM 817 O PRO A 54 -18.607 -8.282 3.105 1.00 0.00 O ATOM 818 CB PRO A 54 -20.497 -7.543 5.934 1.00 0.00 C ATOM 819 CG PRO A 54 -19.301 -7.733 6.802 1.00 0.00 C ATOM 820 CD PRO A 54 -18.939 -9.189 6.695 1.00 0.00 C ATOM 0 HA PRO A 54 -21.236 -8.946 4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.562 -6.518 5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.419 -7.745 6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.476 -7.101 6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.521 -7.460 7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.863 -9.342 6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.402 -9.777 7.487 1.00 0.00 H new ATOM 828 N ALA A 55 -20.267 -6.764 3.126 1.00 0.00 N ATOM 829 CA ALA A 55 -19.742 -6.013 1.992 1.00 0.00 C ATOM 830 C ALA A 55 -18.709 -4.986 2.444 1.00 0.00 C ATOM 831 O ALA A 55 -17.709 -4.756 1.765 1.00 0.00 O ATOM 832 CB ALA A 55 -20.875 -5.329 1.242 1.00 0.00 C ATOM 0 H ALA A 55 -21.132 -6.389 3.517 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.248 -6.715 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.468 -4.772 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.576 -6.080 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.394 -4.644 1.913 1.00 0.00 H new ATOM 838 N GLY A 56 -18.958 -4.370 3.596 1.00 0.00 N ATOM 839 CA GLY A 56 -18.041 -3.375 4.119 1.00 0.00 C ATOM 840 C GLY A 56 -16.639 -3.920 4.306 1.00 0.00 C ATOM 841 O GLY A 56 -15.655 -3.243 4.005 1.00 0.00 O ATOM 0 H GLY A 56 -19.779 -4.543 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.009 -2.523 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.415 -3.007 5.075 1.00 0.00 H new ATOM 845 N THR A 57 -16.545 -5.148 4.807 1.00 0.00 N ATOM 846 CA THR A 57 -15.253 -5.782 5.037 1.00 0.00 C ATOM 847 C THR A 57 -14.520 -6.029 3.724 1.00 0.00 C ATOM 848 O THR A 57 -13.297 -5.911 3.654 1.00 0.00 O ATOM 849 CB THR A 57 -15.410 -7.121 5.783 1.00 0.00 C ATOM 850 OG1 THR A 57 -15.998 -6.899 7.070 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.064 -7.810 5.947 1.00 0.00 C ATOM 0 H THR A 57 -17.348 -5.723 5.061 1.00 0.00 H new ATOM 0 HA THR A 57 -14.670 -5.097 5.652 1.00 0.00 H new ATOM 0 HB THR A 57 -16.061 -7.766 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.096 -7.755 7.537 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.200 -8.753 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.633 -8.004 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.393 -7.167 6.517 1.00 0.00 H new ATOM 859 N MET A 58 -15.275 -6.369 2.685 1.00 0.00 N ATOM 860 CA MET A 58 -14.695 -6.630 1.372 1.00 0.00 C ATOM 861 C MET A 58 -13.965 -5.399 0.846 1.00 0.00 C ATOM 862 O MET A 58 -12.850 -5.499 0.336 1.00 0.00 O ATOM 863 CB MET A 58 -15.785 -7.052 0.385 1.00 0.00 C ATOM 864 CG MET A 58 -15.275 -7.938 -0.741 1.00 0.00 C ATOM 865 SD MET A 58 -14.705 -9.545 -0.155 1.00 0.00 S ATOM 866 CE MET A 58 -12.931 -9.357 -0.321 1.00 0.00 C ATOM 0 H MET A 58 -16.289 -6.470 2.726 1.00 0.00 H new ATOM 0 HA MET A 58 -13.974 -7.441 1.475 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.569 -7.582 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.241 -6.160 -0.044 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.070 -8.083 -1.472 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.458 -7.432 -1.255 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.439 -9.749 0.569 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.587 -9.906 -1.198 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.686 -8.301 -0.435 1.00 0.00 H new ATOM 876 N GLU A 59 -14.601 -4.239 0.975 1.00 0.00 N ATOM 877 CA GLU A 59 -14.011 -2.989 0.511 1.00 0.00 C ATOM 878 C GLU A 59 -12.697 -2.707 1.233 1.00 0.00 C ATOM 879 O GLU A 59 -11.680 -2.420 0.602 1.00 0.00 O ATOM 880 CB GLU A 59 -14.984 -1.828 0.727 1.00 0.00 C ATOM 881 CG GLU A 59 -16.028 -1.695 -0.369 1.00 0.00 C ATOM 882 CD GLU A 59 -17.142 -2.715 -0.239 1.00 0.00 C ATOM 883 OE1 GLU A 59 -18.012 -2.535 0.638 1.00 0.00 O ATOM 884 OE2 GLU A 59 -17.145 -3.694 -1.015 1.00 0.00 O ATOM 0 H GLU A 59 -15.524 -4.139 1.397 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.806 -3.088 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.489 -1.962 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.418 -0.899 0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.454 -0.692 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.547 -1.810 -1.340 1.00 0.00 H new ATOM 891 N GLU A 60 -12.727 -2.789 2.559 1.00 0.00 N ATOM 892 CA GLU A 60 -11.539 -2.542 3.367 1.00 0.00 C ATOM 893 C GLU A 60 -10.481 -3.614 3.121 1.00 0.00 C ATOM 894 O GLU A 60 -9.283 -3.327 3.101 1.00 0.00 O ATOM 895 CB GLU A 60 -11.904 -2.500 4.852 1.00 0.00 C ATOM 896 CG GLU A 60 -12.751 -1.300 5.237 1.00 0.00 C ATOM 897 CD GLU A 60 -12.178 0.008 4.725 1.00 0.00 C ATOM 898 OE1 GLU A 60 -12.524 0.403 3.592 1.00 0.00 O ATOM 899 OE2 GLU A 60 -11.384 0.634 5.457 1.00 0.00 O ATOM 0 H GLU A 60 -13.561 -3.025 3.097 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.127 -1.576 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.442 -3.412 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.988 -2.492 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.759 -1.430 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.837 -1.254 6.323 1.00 0.00 H new ATOM 906 N CYS A 61 -10.932 -4.850 2.936 1.00 0.00 N ATOM 907 CA CYS A 61 -10.025 -5.966 2.693 1.00 0.00 C ATOM 908 C CYS A 61 -9.059 -5.645 1.557 1.00 0.00 C ATOM 909 O CYS A 61 -7.856 -5.880 1.666 1.00 0.00 O ATOM 910 CB CYS A 61 -10.818 -7.231 2.363 1.00 0.00 C ATOM 911 SG CYS A 61 -9.796 -8.708 2.150 1.00 0.00 S ATOM 0 H CYS A 61 -11.920 -5.104 2.950 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.445 -6.135 3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.539 -7.413 3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.388 -7.062 1.449 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.844 -8.458 1.300 1.00 0.00 H new ATOM 917 N MET A 62 -9.596 -5.108 0.465 1.00 0.00 N ATOM 918 CA MET A 62 -8.781 -4.756 -0.692 1.00 0.00 C ATOM 919 C MET A 62 -7.634 -3.836 -0.289 1.00 0.00 C ATOM 920 O MET A 62 -6.477 -4.089 -0.624 1.00 0.00 O ATOM 921 CB MET A 62 -9.641 -4.080 -1.761 1.00 0.00 C ATOM 922 CG MET A 62 -9.121 -4.279 -3.175 1.00 0.00 C ATOM 923 SD MET A 62 -9.145 -6.007 -3.688 1.00 0.00 S ATOM 924 CE MET A 62 -7.503 -6.178 -4.382 1.00 0.00 C ATOM 0 H MET A 62 -10.590 -4.908 0.358 1.00 0.00 H new ATOM 0 HA MET A 62 -8.360 -5.674 -1.102 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.657 -4.470 -1.698 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.696 -3.012 -1.550 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.725 -3.691 -3.866 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.101 -3.899 -3.240 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.365 -7.197 -4.744 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.383 -5.479 -5.210 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.759 -5.962 -3.615 1.00 0.00 H new ATOM 934 N GLN A 63 -7.962 -2.768 0.432 1.00 0.00 N ATOM 935 CA GLN A 63 -6.958 -1.810 0.879 1.00 0.00 C ATOM 936 C GLN A 63 -5.776 -2.523 1.528 1.00 0.00 C ATOM 937 O GLN A 63 -4.632 -2.364 1.104 1.00 0.00 O ATOM 938 CB GLN A 63 -7.574 -0.817 1.865 1.00 0.00 C ATOM 939 CG GLN A 63 -8.494 0.201 1.210 1.00 0.00 C ATOM 940 CD GLN A 63 -7.822 0.950 0.076 1.00 0.00 C ATOM 941 OE1 GLN A 63 -8.291 0.927 -1.062 1.00 0.00 O ATOM 942 NE2 GLN A 63 -6.717 1.620 0.382 1.00 0.00 N ATOM 0 H GLN A 63 -8.915 -2.545 0.719 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.596 -1.267 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.135 -1.368 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.774 -0.290 2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.380 -0.307 0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.833 0.914 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.364 1.611 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.221 2.143 -0.340 1.00 0.00 H new ATOM 951 N LYS A 64 -6.061 -3.310 2.560 1.00 0.00 N ATOM 952 CA LYS A 64 -5.023 -4.049 3.268 1.00 0.00 C ATOM 953 C LYS A 64 -4.176 -4.865 2.297 1.00 0.00 C ATOM 954 O LYS A 64 -3.012 -4.545 2.053 1.00 0.00 O ATOM 955 CB LYS A 64 -5.650 -4.974 4.314 1.00 0.00 C ATOM 956 CG LYS A 64 -6.584 -4.260 5.276 1.00 0.00 C ATOM 957 CD LYS A 64 -5.828 -3.671 6.454 1.00 0.00 C ATOM 958 CE LYS A 64 -5.419 -4.747 7.448 1.00 0.00 C ATOM 959 NZ LYS A 64 -4.718 -4.173 8.630 1.00 0.00 N ATOM 0 H LYS A 64 -7.003 -3.452 2.925 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.377 -3.328 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.202 -5.764 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.855 -5.456 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.113 -3.466 4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.337 -4.959 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.941 -3.150 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.452 -2.930 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.304 -5.291 7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.768 -5.469 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.456 -4.938 9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.860 -3.676 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.348 -3.503 9.116 1.00 0.00 H new ATOM 973 N PHE A 65 -4.767 -5.918 1.743 1.00 0.00 N ATOM 974 CA PHE A 65 -4.067 -6.779 0.797 1.00 0.00 C ATOM 975 C PHE A 65 -3.111 -5.967 -0.072 1.00 0.00 C ATOM 976 O PHE A 65 -1.939 -6.315 -0.215 1.00 0.00 O ATOM 977 CB PHE A 65 -5.070 -7.524 -0.086 1.00 0.00 C ATOM 978 CG PHE A 65 -4.428 -8.502 -1.028 1.00 0.00 C ATOM 979 CD1 PHE A 65 -3.864 -9.675 -0.551 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.389 -8.250 -2.390 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.273 -10.578 -1.415 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.800 -9.149 -3.258 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.240 -10.314 -2.770 1.00 0.00 C ATOM 0 H PHE A 65 -5.730 -6.196 1.933 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.486 -7.505 1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.778 -8.056 0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.643 -6.798 -0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.887 -9.886 0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.824 -7.341 -2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.838 -11.489 -1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.777 -8.941 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.777 -11.017 -3.447 1.00 0.00 H new ATOM 993 N ILE A 66 -3.621 -4.885 -0.650 1.00 0.00 N ATOM 994 CA ILE A 66 -2.814 -4.023 -1.505 1.00 0.00 C ATOM 995 C ILE A 66 -1.539 -3.582 -0.793 1.00 0.00 C ATOM 996 O ILE A 66 -0.434 -3.802 -1.286 1.00 0.00 O ATOM 997 CB ILE A 66 -3.599 -2.775 -1.949 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.737 -3.171 -2.893 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.669 -1.776 -2.621 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.859 -2.158 -2.944 1.00 0.00 C ATOM 0 H ILE A 66 -4.590 -4.584 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.552 -4.609 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.032 -2.303 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.335 -3.307 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.141 -4.133 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.238 -0.899 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.891 -1.475 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.211 -2.237 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.630 -2.504 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.287 -2.039 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.469 -1.200 -3.288 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.703 -2.959 0.370 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.565 -2.488 1.150 1.00 0.00 C ATOM 1014 C GLU A 67 0.373 -3.641 1.495 1.00 0.00 C ATOM 1015 O GLU A 67 1.594 -3.513 1.398 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.045 -1.805 2.432 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.541 -0.385 2.216 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.834 -0.332 1.427 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.785 -0.529 0.195 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.895 -0.094 2.041 1.00 0.00 O ATOM 0 H GLU A 67 -2.612 -2.769 0.792 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.017 -1.765 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.847 -2.398 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.228 -1.790 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.690 0.095 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.776 0.187 1.691 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.207 -4.766 1.900 1.00 0.00 N ATOM 1028 CA ILE A 68 0.576 -5.942 2.259 1.00 0.00 C ATOM 1029 C ILE A 68 1.471 -6.381 1.105 1.00 0.00 C ATOM 1030 O ILE A 68 2.631 -6.738 1.306 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.330 -7.118 2.668 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.267 -6.698 3.801 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.512 -8.315 3.085 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.574 -7.461 3.819 1.00 0.00 C ATOM 0 H ILE A 68 -1.216 -4.888 1.988 1.00 0.00 H new ATOM 0 HA ILE A 68 1.197 -5.660 3.109 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.936 -7.407 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.758 -6.842 4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.479 -5.633 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.143 -9.138 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.142 -8.625 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.141 -8.040 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.188 -7.111 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.104 -7.297 2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.372 -8.525 3.941 1.00 0.00 H new ATOM 1046 N ASP A 69 0.923 -6.350 -0.105 1.00 0.00 N ATOM 1047 CA ASP A 69 1.672 -6.741 -1.294 1.00 0.00 C ATOM 1048 C ASP A 69 2.758 -5.719 -1.613 1.00 0.00 C ATOM 1049 O ASP A 69 3.668 -5.991 -2.396 1.00 0.00 O ATOM 1050 CB ASP A 69 0.730 -6.893 -2.489 1.00 0.00 C ATOM 1051 CG ASP A 69 1.256 -7.873 -3.520 1.00 0.00 C ATOM 1052 OD1 ASP A 69 2.294 -7.575 -4.147 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.630 -8.939 -3.698 1.00 0.00 O ATOM 0 H ASP A 69 -0.037 -6.058 -0.288 1.00 0.00 H new ATOM 0 HA ASP A 69 2.149 -7.700 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.246 -7.228 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.583 -5.920 -2.958 1.00 0.00 H new ATOM 1058 N GLN A 70 2.655 -4.543 -1.002 1.00 0.00 N ATOM 1059 CA GLN A 70 3.628 -3.480 -1.223 1.00 0.00 C ATOM 1060 C GLN A 70 4.720 -3.511 -0.159 1.00 0.00 C ATOM 1061 O GLN A 70 5.885 -3.237 -0.442 1.00 0.00 O ATOM 1062 CB GLN A 70 2.935 -2.117 -1.221 1.00 0.00 C ATOM 1063 CG GLN A 70 2.254 -1.778 -2.537 1.00 0.00 C ATOM 1064 CD GLN A 70 1.660 -0.383 -2.544 1.00 0.00 C ATOM 1065 OE1 GLN A 70 0.344 -0.301 -2.702 1.00 0.00 O flip ATOM 1066 NE2 GLN A 70 2.376 0.610 -2.410 1.00 0.00 N flip ATOM 0 H GLN A 70 1.908 -4.303 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 70 4.091 -3.642 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.194 -2.097 -0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.670 -1.345 -0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.976 -1.865 -3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.466 -2.505 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.383 0.500 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.962 1.542 -2.418 1.00 0.00 H new ATOM 1075 N ALA A 71 4.334 -3.846 1.068 1.00 0.00 N ATOM 1076 CA ALA A 71 5.280 -3.914 2.175 1.00 0.00 C ATOM 1077 C ALA A 71 6.291 -5.036 1.965 1.00 0.00 C ATOM 1078 O ALA A 71 7.363 -5.039 2.569 1.00 0.00 O ATOM 1079 CB ALA A 71 4.540 -4.108 3.490 1.00 0.00 C ATOM 0 H ALA A 71 3.372 -4.075 1.320 1.00 0.00 H new ATOM 0 HA ALA A 71 5.825 -2.971 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.259 -4.157 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.862 -3.271 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.969 -5.036 3.453 1.00 0.00 H new ATOM 1085 N TRP A 72 5.942 -5.987 1.106 1.00 0.00 N ATOM 1086 CA TRP A 72 6.819 -7.116 0.817 1.00 0.00 C ATOM 1087 C TRP A 72 7.734 -6.806 -0.363 1.00 0.00 C ATOM 1088 O TRP A 72 8.856 -7.307 -0.440 1.00 0.00 O ATOM 1089 CB TRP A 72 5.993 -8.369 0.523 1.00 0.00 C ATOM 1090 CG TRP A 72 6.825 -9.606 0.369 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.839 -10.457 -0.699 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.762 -10.132 1.315 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.728 -11.480 -0.474 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.308 -11.303 0.754 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.194 -9.727 2.581 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.261 -12.071 1.417 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.140 -10.490 3.238 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.666 -11.651 2.655 1.00 0.00 C ATOM 0 H TRP A 72 5.058 -5.999 0.597 1.00 0.00 H new ATOM 0 HA TRP A 72 7.438 -7.297 1.695 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.276 -8.520 1.330 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.418 -8.211 -0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.239 -10.343 -1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.924 -12.247 -1.117 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.795 -8.833 3.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.667 -12.967 0.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.480 -10.187 4.217 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.405 -12.225 3.193 1.00 0.00 H new ATOM 1109 N LYS A 73 7.248 -5.978 -1.281 1.00 0.00 N ATOM 1110 CA LYS A 73 8.022 -5.599 -2.457 1.00 0.00 C ATOM 1111 C LYS A 73 9.346 -4.957 -2.054 1.00 0.00 C ATOM 1112 O LYS A 73 10.348 -5.085 -2.758 1.00 0.00 O ATOM 1113 CB LYS A 73 7.220 -4.633 -3.332 1.00 0.00 C ATOM 1114 CG LYS A 73 6.293 -5.329 -4.314 1.00 0.00 C ATOM 1115 CD LYS A 73 5.469 -4.328 -5.107 1.00 0.00 C ATOM 1116 CE LYS A 73 4.260 -4.988 -5.751 1.00 0.00 C ATOM 1117 NZ LYS A 73 3.227 -3.990 -6.146 1.00 0.00 N ATOM 0 H LYS A 73 6.321 -5.556 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 73 8.236 -6.503 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.630 -3.979 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.912 -3.998 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.880 -5.942 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.628 -6.002 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.139 -3.524 -4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.091 -3.873 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.578 -5.549 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.825 -5.705 -5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.419 -4.480 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.905 -3.472 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.635 -3.320 -6.829 1.00 0.00 H new ATOM 1131 N ILE A 74 9.342 -4.269 -0.918 1.00 0.00 N ATOM 1132 CA ILE A 74 10.544 -3.610 -0.421 1.00 0.00 C ATOM 1133 C ILE A 74 11.251 -4.470 0.621 1.00 0.00 C ATOM 1134 O ILE A 74 12.480 -4.555 0.641 1.00 0.00 O ATOM 1135 CB ILE A 74 10.218 -2.238 0.199 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.908 -1.219 -0.900 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.375 -1.758 1.062 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.531 -1.382 -1.504 1.00 0.00 C ATOM 0 H ILE A 74 8.521 -4.153 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 74 11.202 -3.466 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 74 9.337 -2.342 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.999 -0.214 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.655 -1.309 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.129 -0.787 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.554 -2.476 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.272 -1.666 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.380 -0.627 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.443 -2.375 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.776 -1.262 -0.727 1.00 0.00 H new ATOM 1150 N LEU A 75 10.469 -5.108 1.484 1.00 0.00 N ATOM 1151 CA LEU A 75 11.020 -5.964 2.529 1.00 0.00 C ATOM 1152 C LEU A 75 11.087 -7.415 2.064 1.00 0.00 C ATOM 1153 O LEU A 75 11.180 -8.334 2.877 1.00 0.00 O ATOM 1154 CB LEU A 75 10.174 -5.862 3.799 1.00 0.00 C ATOM 1155 CG LEU A 75 10.039 -4.465 4.405 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.008 -4.465 5.523 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.385 -3.974 4.919 1.00 0.00 C ATOM 0 H LEU A 75 9.451 -5.049 1.481 1.00 0.00 H new ATOM 0 HA LEU A 75 12.032 -5.624 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.175 -6.238 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.604 -6.523 4.552 1.00 0.00 H new ATOM 0 HG LEU A 75 9.699 -3.783 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.926 -3.462 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.041 -4.773 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.318 -5.160 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.270 -2.978 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.754 -4.657 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.097 -3.935 4.095 1.00 0.00 H new ATOM 1169 N GLY A 76 11.041 -7.614 0.750 1.00 0.00 N ATOM 1170 CA GLY A 76 11.100 -8.955 0.200 1.00 0.00 C ATOM 1171 C GLY A 76 12.506 -9.358 -0.197 1.00 0.00 C ATOM 1172 O GLY A 76 13.001 -10.404 0.221 1.00 0.00 O ATOM 0 H GLY A 76 10.964 -6.870 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.716 -9.663 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.448 -9.016 -0.672 1.00 0.00 H new ATOM 1176 N ASN A 77 13.152 -8.526 -1.009 1.00 0.00 N ATOM 1177 CA ASN A 77 14.509 -8.802 -1.465 1.00 0.00 C ATOM 1178 C ASN A 77 15.536 -8.266 -0.472 1.00 0.00 C ATOM 1179 O ASN A 77 15.221 -7.421 0.366 1.00 0.00 O ATOM 1180 CB ASN A 77 14.743 -8.182 -2.843 1.00 0.00 C ATOM 1181 CG ASN A 77 13.638 -8.522 -3.825 1.00 0.00 C ATOM 1182 OD1 ASN A 77 12.909 -9.497 -3.643 1.00 0.00 O ATOM 1183 ND2 ASN A 77 13.510 -7.717 -4.874 1.00 0.00 N ATOM 0 H ASN A 77 12.757 -7.655 -1.364 1.00 0.00 H new ATOM 0 HA ASN A 77 14.629 -9.883 -1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.816 -7.099 -2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.697 -8.531 -3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.785 -7.896 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.137 -6.920 -4.985 1.00 0.00 H new ATOM 1190 N GLU A 78 16.765 -8.761 -0.575 1.00 0.00 N ATOM 1191 CA GLU A 78 17.838 -8.331 0.314 1.00 0.00 C ATOM 1192 C GLU A 78 18.328 -6.935 -0.060 1.00 0.00 C ATOM 1193 O GLU A 78 18.785 -6.177 0.795 1.00 0.00 O ATOM 1194 CB GLU A 78 19.002 -9.323 0.262 1.00 0.00 C ATOM 1195 CG GLU A 78 18.756 -10.592 1.061 1.00 0.00 C ATOM 1196 CD GLU A 78 20.038 -11.332 1.389 1.00 0.00 C ATOM 1197 OE1 GLU A 78 20.711 -10.950 2.369 1.00 0.00 O ATOM 1198 OE2 GLU A 78 20.369 -12.295 0.665 1.00 0.00 O ATOM 0 H GLU A 78 17.042 -9.460 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 78 17.443 -8.299 1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.195 -9.590 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.901 -8.835 0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.239 -10.340 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.095 -11.250 0.497 1.00 0.00 H new ATOM 1205 N GLU A 79 18.228 -6.604 -1.344 1.00 0.00 N ATOM 1206 CA GLU A 79 18.663 -5.300 -1.831 1.00 0.00 C ATOM 1207 C GLU A 79 17.662 -4.214 -1.446 1.00 0.00 C ATOM 1208 O GLU A 79 18.033 -3.181 -0.888 1.00 0.00 O ATOM 1209 CB GLU A 79 18.838 -5.331 -3.351 1.00 0.00 C ATOM 1210 CG GLU A 79 17.579 -5.733 -4.100 1.00 0.00 C ATOM 1211 CD GLU A 79 17.875 -6.303 -5.474 1.00 0.00 C ATOM 1212 OE1 GLU A 79 18.667 -7.265 -5.559 1.00 0.00 O ATOM 1213 OE2 GLU A 79 17.314 -5.788 -6.464 1.00 0.00 O ATOM 0 H GLU A 79 17.850 -7.220 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 79 19.621 -5.068 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.155 -4.345 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.638 -6.027 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.032 -6.472 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.929 -4.864 -4.203 1.00 0.00 H new ATOM 1220 N THR A 80 16.390 -4.455 -1.748 1.00 0.00 N ATOM 1221 CA THR A 80 15.336 -3.499 -1.436 1.00 0.00 C ATOM 1222 C THR A 80 15.204 -3.298 0.070 1.00 0.00 C ATOM 1223 O THR A 80 15.029 -2.175 0.544 1.00 0.00 O ATOM 1224 CB THR A 80 13.978 -3.955 -2.002 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.706 -5.302 -1.598 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.967 -3.864 -3.520 1.00 0.00 C ATOM 0 H THR A 80 16.065 -5.305 -2.209 1.00 0.00 H new ATOM 0 HA THR A 80 15.617 -2.555 -1.903 1.00 0.00 H new ATOM 0 HB THR A 80 13.205 -3.295 -1.608 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.287 -5.300 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.998 -4.191 -3.897 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.145 -2.833 -3.824 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.750 -4.503 -3.928 1.00 0.00 H new ATOM 1234 N LYS A 81 15.289 -4.393 0.818 1.00 0.00 N ATOM 1235 CA LYS A 81 15.181 -4.338 2.271 1.00 0.00 C ATOM 1236 C LYS A 81 16.389 -3.633 2.879 1.00 0.00 C ATOM 1237 O LYS A 81 16.282 -2.978 3.916 1.00 0.00 O ATOM 1238 CB LYS A 81 15.056 -5.750 2.848 1.00 0.00 C ATOM 1239 CG LYS A 81 15.431 -5.842 4.317 1.00 0.00 C ATOM 1240 CD LYS A 81 15.519 -7.286 4.780 1.00 0.00 C ATOM 1241 CE LYS A 81 14.181 -7.787 5.302 1.00 0.00 C ATOM 1242 NZ LYS A 81 13.044 -7.297 4.474 1.00 0.00 N ATOM 0 H LYS A 81 15.432 -5.330 0.441 1.00 0.00 H new ATOM 0 HA LYS A 81 14.286 -3.770 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.030 -6.096 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.693 -6.425 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 81 16.388 -5.347 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.691 -5.311 4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.846 -7.915 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.272 -7.373 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.180 -8.877 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.047 -7.459 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.229 -7.932 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.782 -6.337 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.326 -7.279 3.473 1.00 0.00 H new ATOM 1256 N LYS A 82 17.539 -3.772 2.228 1.00 0.00 N ATOM 1257 CA LYS A 82 18.768 -3.147 2.703 1.00 0.00 C ATOM 1258 C LYS A 82 18.707 -1.632 2.538 1.00 0.00 C ATOM 1259 O LYS A 82 19.106 -0.883 3.430 1.00 0.00 O ATOM 1260 CB LYS A 82 19.974 -3.705 1.945 1.00 0.00 C ATOM 1261 CG LYS A 82 21.271 -2.972 2.240 1.00 0.00 C ATOM 1262 CD LYS A 82 22.233 -3.044 1.066 1.00 0.00 C ATOM 1263 CE LYS A 82 23.207 -1.876 1.070 1.00 0.00 C ATOM 1264 NZ LYS A 82 24.433 -2.173 0.278 1.00 0.00 N ATOM 0 H LYS A 82 17.646 -4.312 1.369 1.00 0.00 H new ATOM 0 HA LYS A 82 18.876 -3.375 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.096 -4.758 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.774 -3.656 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.056 -1.929 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.741 -3.404 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.788 -3.982 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.670 -3.046 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.716 -0.993 0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.486 -1.640 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.071 -1.352 0.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.916 -3.001 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.169 -2.374 -0.708 1.00 0.00 H new ATOM 1278 N LYS A 83 18.203 -1.186 1.393 1.00 0.00 N ATOM 1279 CA LYS A 83 18.087 0.240 1.111 1.00 0.00 C ATOM 1280 C LYS A 83 17.101 0.904 2.067 1.00 0.00 C ATOM 1281 O LYS A 83 17.451 1.846 2.779 1.00 0.00 O ATOM 1282 CB LYS A 83 17.637 0.460 -0.335 1.00 0.00 C ATOM 1283 CG LYS A 83 18.671 0.037 -1.364 1.00 0.00 C ATOM 1284 CD LYS A 83 18.028 -0.274 -2.705 1.00 0.00 C ATOM 1285 CE LYS A 83 19.072 -0.608 -3.760 1.00 0.00 C ATOM 1286 NZ LYS A 83 19.729 0.615 -4.298 1.00 0.00 N ATOM 0 H LYS A 83 17.868 -1.792 0.644 1.00 0.00 H new ATOM 0 HA LYS A 83 19.068 0.694 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.715 -0.096 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.405 1.515 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.408 0.830 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.206 -0.842 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.340 -1.112 -2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.438 0.581 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.827 -1.265 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 83 18.601 -1.156 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.433 0.344 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.013 1.231 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 20.200 1.125 -3.524 1.00 0.00 H new ATOM 1300 N TYR A 84 15.870 0.407 2.081 1.00 0.00 N ATOM 1301 CA TYR A 84 14.834 0.953 2.949 1.00 0.00 C ATOM 1302 C TYR A 84 15.405 1.315 4.317 1.00 0.00 C ATOM 1303 O TYR A 84 15.366 2.474 4.732 1.00 0.00 O ATOM 1304 CB TYR A 84 13.692 -0.051 3.110 1.00 0.00 C ATOM 1305 CG TYR A 84 12.478 0.519 3.808 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.759 1.568 3.248 1.00 0.00 C ATOM 1307 CD2 TYR A 84 12.050 0.011 5.028 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.649 2.093 3.882 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.941 0.528 5.669 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.244 1.569 5.092 1.00 0.00 C ATOM 1311 OH TYR A 84 9.140 2.088 5.728 1.00 0.00 O ATOM 0 H TYR A 84 15.565 -0.374 1.500 1.00 0.00 H new ATOM 0 HA TYR A 84 14.448 1.860 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.397 -0.414 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.053 -0.912 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.073 1.980 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.594 -0.803 5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.102 2.909 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.622 0.120 6.616 1.00 0.00 H new ATOM 0 HH TYR A 84 8.388 2.124 5.101 1.00 0.00 H new ATOM 1321 N ASP A 85 15.936 0.316 5.012 1.00 0.00 N ATOM 1322 CA ASP A 85 16.517 0.527 6.333 1.00 0.00 C ATOM 1323 C ASP A 85 17.229 1.874 6.404 1.00 0.00 C ATOM 1324 O ASP A 85 17.014 2.654 7.334 1.00 0.00 O ATOM 1325 CB ASP A 85 17.496 -0.599 6.669 1.00 0.00 C ATOM 1326 CG ASP A 85 17.571 -0.876 8.157 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.624 -1.485 8.696 1.00 0.00 O ATOM 1328 OD2 ASP A 85 18.578 -0.484 8.784 1.00 0.00 O ATOM 0 H ASP A 85 15.976 -0.649 4.683 1.00 0.00 H new ATOM 0 HA ASP A 85 15.708 0.524 7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.193 -1.507 6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.488 -0.336 6.301 1.00 0.00 H new ATOM 1333 N LEU A 86 18.077 2.142 5.418 1.00 0.00 N ATOM 1334 CA LEU A 86 18.822 3.396 5.369 1.00 0.00 C ATOM 1335 C LEU A 86 17.876 4.587 5.257 1.00 0.00 C ATOM 1336 O LEU A 86 18.073 5.611 5.911 1.00 0.00 O ATOM 1337 CB LEU A 86 19.793 3.388 4.187 1.00 0.00 C ATOM 1338 CG LEU A 86 21.099 2.619 4.396 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.829 3.132 5.627 1.00 0.00 C ATOM 1340 CD2 LEU A 86 20.824 1.128 4.519 1.00 0.00 C ATOM 0 H LEU A 86 18.266 1.508 4.641 1.00 0.00 H new ATOM 0 HA LEU A 86 19.388 3.491 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.280 2.965 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.038 4.420 3.937 1.00 0.00 H new ATOM 0 HG LEU A 86 21.738 2.780 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.755 2.573 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.058 4.190 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.197 3.001 6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.764 0.596 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.167 0.948 5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.344 0.770 3.608 1.00 0.00 H new ATOM 1352 N GLN A 87 16.849 4.445 4.426 1.00 0.00 N ATOM 1353 CA GLN A 87 15.872 5.509 4.230 1.00 0.00 C ATOM 1354 C GLN A 87 15.160 5.842 5.537 1.00 0.00 C ATOM 1355 O GLN A 87 15.191 6.982 5.999 1.00 0.00 O ATOM 1356 CB GLN A 87 14.849 5.102 3.168 1.00 0.00 C ATOM 1357 CG GLN A 87 15.327 5.333 1.743 1.00 0.00 C ATOM 1358 CD GLN A 87 15.139 6.767 1.289 1.00 0.00 C ATOM 1359 OE1 GLN A 87 15.925 7.648 1.637 1.00 0.00 O ATOM 1360 NE2 GLN A 87 14.093 7.008 0.507 1.00 0.00 N ATOM 0 H GLN A 87 16.672 3.603 3.878 1.00 0.00 H new ATOM 0 HA GLN A 87 16.404 6.398 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.606 4.047 3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.928 5.662 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.382 5.068 1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.785 4.669 1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.467 6.247 0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.915 7.954 0.170 1.00 0.00 H new ATOM 1369 N ARG A 88 14.520 4.838 6.128 1.00 0.00 N ATOM 1370 CA ARG A 88 13.799 5.025 7.382 1.00 0.00 C ATOM 1371 C ARG A 88 14.736 5.520 8.479 1.00 0.00 C ATOM 1372 O ARG A 88 15.860 5.037 8.614 1.00 0.00 O ATOM 1373 CB ARG A 88 13.136 3.716 7.814 1.00 0.00 C ATOM 1374 CG ARG A 88 14.107 2.708 8.406 1.00 0.00 C ATOM 1375 CD ARG A 88 13.395 1.438 8.843 1.00 0.00 C ATOM 1376 NE ARG A 88 12.621 1.637 10.066 1.00 0.00 N ATOM 1377 CZ ARG A 88 13.170 1.806 11.263 1.00 0.00 C ATOM 1378 NH1 ARG A 88 14.489 1.800 11.398 1.00 0.00 N ATOM 1379 NH2 ARG A 88 12.399 1.981 12.329 1.00 0.00 N ATOM 0 H ARG A 88 14.486 3.888 5.759 1.00 0.00 H new ATOM 0 HA ARG A 88 13.028 5.778 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.361 3.936 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.641 3.268 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.872 2.462 7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.618 3.152 9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.733 1.101 8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.129 0.648 9.003 1.00 0.00 H new ATOM 0 HE ARG A 88 11.603 1.647 9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.085 1.665 10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.908 1.930 12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.384 1.986 12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.822 2.111 13.248 1.00 0.00 H new