USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 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 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 129:sc= -0.0941 (180deg=-1.22) USER MOD Set 2.1: A 31 SER OG : rot -66:sc= 0.208 USER MOD Set 2.2: A 35 GLN :FLIP amide:sc= 0.467 F(o=-0.039,f=0.67) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -3.61! (180deg=-4.24!) USER MOD Single : A 19 TYR OH : rot -128:sc= 0.629 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 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -164:sc= -4.87! (180deg=-5.54!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.06 USER MOD Single : A 38 GLN : amide:sc=-0.00436 K(o=-0.0044,f=-0.53) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-6.5!) USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= -5.35! (180deg=-6.08!) USER MOD Single : A 49 GLN : amide:sc= -4.34! C(o=-4.3!,f=-8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 58 MET CE :methyl 143:sc= -0.375 (180deg=-2.38) USER MOD Single : A 61 CYS SG : rot 180:sc=-0.00755 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.594 K(o=-0.59,f=-6.4!) USER MOD Single : A 80 THR OG1 : rot 96:sc= 0.383 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.21) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 35:sc= 0.93 USER MOD Single : A 87 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 6.253 5.733 3.226 1.00 0.00 N ATOM 200 CA LYS A 16 5.312 4.819 3.862 1.00 0.00 C ATOM 201 C LYS A 16 6.042 3.818 4.753 1.00 0.00 C ATOM 202 O LYS A 16 7.222 3.537 4.548 1.00 0.00 O ATOM 203 CB LYS A 16 4.496 4.075 2.803 1.00 0.00 C ATOM 204 CG LYS A 16 3.279 3.360 3.363 1.00 0.00 C ATOM 205 CD LYS A 16 2.185 3.218 2.317 1.00 0.00 C ATOM 206 CE LYS A 16 0.813 3.092 2.960 1.00 0.00 C ATOM 207 NZ LYS A 16 0.815 2.118 4.086 1.00 0.00 N ATOM 0 HA LYS A 16 4.638 5.408 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.172 4.785 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.138 3.347 2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.569 2.373 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.894 3.912 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.199 4.083 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.381 2.341 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.492 4.068 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.088 2.778 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.031 2.265 4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.810 1.149 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.667 2.259 4.665 1.00 0.00 H new ATOM 221 N ASP A 17 5.331 3.284 5.740 1.00 0.00 N ATOM 222 CA ASP A 17 5.911 2.312 6.660 1.00 0.00 C ATOM 223 C ASP A 17 5.504 0.893 6.279 1.00 0.00 C ATOM 224 O ASP A 17 4.329 0.618 6.034 1.00 0.00 O ATOM 225 CB ASP A 17 5.475 2.614 8.095 1.00 0.00 C ATOM 226 CG ASP A 17 4.053 3.134 8.171 1.00 0.00 C ATOM 227 OD1 ASP A 17 3.115 2.318 8.051 1.00 0.00 O ATOM 228 OD2 ASP A 17 3.878 4.357 8.350 1.00 0.00 O ATOM 0 H ASP A 17 4.353 3.507 5.924 1.00 0.00 H new ATOM 0 HA ASP A 17 6.996 2.389 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.560 1.708 8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.151 3.350 8.530 1.00 0.00 H new ATOM 233 N TRP A 18 6.482 -0.004 6.229 1.00 0.00 N ATOM 234 CA TRP A 18 6.225 -1.396 5.877 1.00 0.00 C ATOM 235 C TRP A 18 6.395 -2.305 7.089 1.00 0.00 C ATOM 236 O TRP A 18 5.698 -3.311 7.225 1.00 0.00 O ATOM 237 CB TRP A 18 7.164 -1.841 4.754 1.00 0.00 C ATOM 238 CG TRP A 18 7.199 -0.889 3.597 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.287 -0.210 3.126 1.00 0.00 C ATOM 240 CD2 TRP A 18 6.097 -0.509 2.766 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.927 0.568 2.053 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.589 0.402 1.811 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.742 -0.852 2.735 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.773 0.974 0.839 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.934 -0.283 1.769 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.451 0.621 0.831 1.00 0.00 C ATOM 0 H TRP A 18 7.460 0.207 6.428 1.00 0.00 H new ATOM 0 HA TRP A 18 5.194 -1.473 5.531 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.172 -1.952 5.155 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.853 -2.823 4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.284 -0.275 3.537 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.555 1.172 1.522 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.334 -1.549 3.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.169 1.672 0.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.885 -0.540 1.736 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.793 1.047 0.088 1.00 0.00 H new ATOM 257 N TYR A 19 7.326 -1.946 7.966 1.00 0.00 N ATOM 258 CA TYR A 19 7.589 -2.732 9.166 1.00 0.00 C ATOM 259 C TYR A 19 6.367 -2.757 10.079 1.00 0.00 C ATOM 260 O TYR A 19 6.286 -3.564 11.005 1.00 0.00 O ATOM 261 CB TYR A 19 8.792 -2.163 9.920 1.00 0.00 C ATOM 262 CG TYR A 19 10.117 -2.447 9.249 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.525 -3.751 8.998 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.960 -1.412 8.866 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.735 -4.016 8.386 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.171 -1.666 8.252 1.00 0.00 C ATOM 267 CZ TYR A 19 12.554 -2.970 8.015 1.00 0.00 C ATOM 268 OH TYR A 19 13.760 -3.229 7.404 1.00 0.00 O ATOM 0 H TYR A 19 7.911 -1.116 7.869 1.00 0.00 H new ATOM 0 HA TYR A 19 7.812 -3.754 8.859 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.670 -1.085 10.022 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.808 -2.578 10.928 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.885 -4.572 9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.663 -0.390 9.052 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.038 -5.036 8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.814 -0.849 7.959 1.00 0.00 H new ATOM 0 HH TYR A 19 14.475 -2.752 7.875 1.00 0.00 H new ATOM 278 N SER A 20 5.418 -1.866 9.811 1.00 0.00 N ATOM 279 CA SER A 20 4.200 -1.782 10.610 1.00 0.00 C ATOM 280 C SER A 20 3.054 -2.525 9.932 1.00 0.00 C ATOM 281 O SER A 20 2.251 -3.186 10.592 1.00 0.00 O ATOM 282 CB SER A 20 3.813 -0.319 10.835 1.00 0.00 C ATOM 283 OG SER A 20 3.078 -0.165 12.036 1.00 0.00 O ATOM 0 H SER A 20 5.469 -1.192 9.047 1.00 0.00 H new ATOM 0 HA SER A 20 4.394 -2.251 11.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.712 0.296 10.874 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.219 0.037 9.993 1.00 0.00 H new ATOM 0 HG SER A 20 2.844 0.779 12.158 1.00 0.00 H new ATOM 289 N ILE A 21 2.983 -2.412 8.610 1.00 0.00 N ATOM 290 CA ILE A 21 1.936 -3.074 7.841 1.00 0.00 C ATOM 291 C ILE A 21 2.017 -4.589 7.994 1.00 0.00 C ATOM 292 O ILE A 21 0.995 -5.276 8.033 1.00 0.00 O ATOM 293 CB ILE A 21 2.022 -2.714 6.346 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.869 -1.204 6.153 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.958 -3.465 5.559 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.973 -0.766 4.709 1.00 0.00 C ATOM 0 H ILE A 21 3.638 -1.868 8.049 1.00 0.00 H new ATOM 0 HA ILE A 21 0.983 -2.722 8.236 1.00 0.00 H new ATOM 0 HB ILE A 21 3.001 -3.011 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.904 -0.891 6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.635 -0.692 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.031 -3.200 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.109 -4.538 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.030 -3.195 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.855 0.316 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.948 -1.048 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.190 -1.250 4.125 1.00 0.00 H new ATOM 308 N LEU A 22 3.238 -5.105 8.081 1.00 0.00 N ATOM 309 CA LEU A 22 3.453 -6.540 8.231 1.00 0.00 C ATOM 310 C LEU A 22 3.624 -6.914 9.700 1.00 0.00 C ATOM 311 O LEU A 22 4.040 -8.026 10.024 1.00 0.00 O ATOM 312 CB LEU A 22 4.684 -6.977 7.435 1.00 0.00 C ATOM 313 CG LEU A 22 4.725 -6.544 5.970 1.00 0.00 C ATOM 314 CD1 LEU A 22 6.137 -6.660 5.417 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.756 -7.374 5.141 1.00 0.00 C ATOM 0 H LEU A 22 4.094 -4.551 8.050 1.00 0.00 H new ATOM 0 HA LEU A 22 2.575 -7.057 7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.571 -6.586 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.749 -8.064 7.473 1.00 0.00 H new ATOM 0 HG LEU A 22 4.419 -5.499 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.146 -6.347 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.807 -6.021 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.472 -7.695 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.799 -7.052 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.031 -8.427 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.744 -7.239 5.521 1.00 0.00 H new ATOM 327 N GLY A 23 3.296 -5.978 10.586 1.00 0.00 N ATOM 328 CA GLY A 23 3.418 -6.230 12.010 1.00 0.00 C ATOM 329 C GLY A 23 4.773 -6.798 12.384 1.00 0.00 C ATOM 330 O GLY A 23 4.859 -7.772 13.132 1.00 0.00 O ATOM 0 H GLY A 23 2.948 -5.050 10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.254 -5.301 12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.638 -6.925 12.321 1.00 0.00 H new ATOM 334 N ALA A 24 5.833 -6.191 11.862 1.00 0.00 N ATOM 335 CA ALA A 24 7.189 -6.643 12.146 1.00 0.00 C ATOM 336 C ALA A 24 8.048 -5.501 12.680 1.00 0.00 C ATOM 337 O ALA A 24 7.555 -4.396 12.909 1.00 0.00 O ATOM 338 CB ALA A 24 7.819 -7.240 10.897 1.00 0.00 C ATOM 0 H ALA A 24 5.779 -5.385 11.240 1.00 0.00 H new ATOM 0 HA ALA A 24 7.135 -7.413 12.916 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.832 -7.573 11.124 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.224 -8.089 10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.853 -6.486 10.111 1.00 0.00 H new ATOM 344 N ASP A 25 9.333 -5.775 12.876 1.00 0.00 N ATOM 345 CA ASP A 25 10.260 -4.771 13.383 1.00 0.00 C ATOM 346 C ASP A 25 11.290 -4.397 12.322 1.00 0.00 C ATOM 347 O ASP A 25 11.569 -5.161 11.397 1.00 0.00 O ATOM 348 CB ASP A 25 10.966 -5.285 14.639 1.00 0.00 C ATOM 349 CG ASP A 25 11.246 -6.773 14.577 1.00 0.00 C ATOM 350 OD1 ASP A 25 10.281 -7.553 14.437 1.00 0.00 O ATOM 351 OD2 ASP A 25 12.430 -7.158 14.668 1.00 0.00 O ATOM 0 H ASP A 25 9.756 -6.685 12.691 1.00 0.00 H new ATOM 0 HA ASP A 25 9.687 -3.879 13.637 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.905 -4.747 14.771 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.350 -5.070 15.512 1.00 0.00 H new ATOM 356 N PRO A 26 11.868 -3.194 12.455 1.00 0.00 N ATOM 357 CA PRO A 26 12.876 -2.692 11.516 1.00 0.00 C ATOM 358 C PRO A 26 14.196 -3.448 11.624 1.00 0.00 C ATOM 359 O PRO A 26 15.141 -3.175 10.883 1.00 0.00 O ATOM 360 CB PRO A 26 13.059 -1.233 11.939 1.00 0.00 C ATOM 361 CG PRO A 26 12.669 -1.204 13.377 1.00 0.00 C ATOM 362 CD PRO A 26 11.584 -2.232 13.533 1.00 0.00 C ATOM 0 HA PRO A 26 12.563 -2.813 10.479 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.090 -0.907 11.802 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.433 -0.567 11.345 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.521 -1.435 14.017 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.313 -0.215 13.665 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.618 -2.706 14.514 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.593 -1.790 13.426 1.00 0.00 H new ATOM 370 N SER A 27 14.255 -4.399 12.550 1.00 0.00 N ATOM 371 CA SER A 27 15.461 -5.192 12.757 1.00 0.00 C ATOM 372 C SER A 27 15.182 -6.674 12.527 1.00 0.00 C ATOM 373 O SER A 27 16.077 -7.511 12.645 1.00 0.00 O ATOM 374 CB SER A 27 16.002 -4.977 14.171 1.00 0.00 C ATOM 375 OG SER A 27 17.402 -5.194 14.220 1.00 0.00 O ATOM 0 H SER A 27 13.481 -4.639 13.169 1.00 0.00 H new ATOM 0 HA SER A 27 16.210 -4.864 12.036 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.776 -3.963 14.500 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.501 -5.655 14.862 1.00 0.00 H new ATOM 0 HG SER A 27 17.724 -5.049 15.134 1.00 0.00 H new ATOM 381 N ALA A 28 13.934 -6.991 12.198 1.00 0.00 N ATOM 382 CA ALA A 28 13.537 -8.372 11.949 1.00 0.00 C ATOM 383 C ALA A 28 14.340 -8.976 10.802 1.00 0.00 C ATOM 384 O ALA A 28 15.009 -8.261 10.057 1.00 0.00 O ATOM 385 CB ALA A 28 12.047 -8.446 11.650 1.00 0.00 C ATOM 0 H ALA A 28 13.181 -6.311 12.098 1.00 0.00 H new ATOM 0 HA ALA A 28 13.746 -8.952 12.848 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.764 -9.482 11.466 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.485 -8.062 12.502 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.823 -7.847 10.768 1.00 0.00 H new ATOM 391 N ASN A 29 14.269 -10.296 10.667 1.00 0.00 N ATOM 392 CA ASN A 29 14.991 -10.996 9.611 1.00 0.00 C ATOM 393 C ASN A 29 14.033 -11.486 8.530 1.00 0.00 C ATOM 394 O ASN A 29 12.868 -11.774 8.802 1.00 0.00 O ATOM 395 CB ASN A 29 15.768 -12.179 10.194 1.00 0.00 C ATOM 396 CG ASN A 29 17.125 -11.770 10.732 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.242 -11.309 11.868 1.00 0.00 O ATOM 398 ND2 ASN A 29 18.160 -11.938 9.917 1.00 0.00 N ATOM 0 H ASN A 29 13.719 -10.902 11.275 1.00 0.00 H new ATOM 0 HA ASN A 29 15.693 -10.296 9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.185 -12.634 10.995 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.899 -12.939 9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 29 19.098 -11.681 10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.017 -12.324 8.984 1.00 0.00 H new ATOM 405 N MET A 30 14.533 -11.578 7.302 1.00 0.00 N ATOM 406 CA MET A 30 13.722 -12.034 6.179 1.00 0.00 C ATOM 407 C MET A 30 12.754 -13.129 6.617 1.00 0.00 C ATOM 408 O MET A 30 11.537 -12.953 6.565 1.00 0.00 O ATOM 409 CB MET A 30 14.618 -12.550 5.051 1.00 0.00 C ATOM 410 CG MET A 30 15.076 -11.463 4.093 1.00 0.00 C ATOM 411 SD MET A 30 13.898 -11.170 2.760 1.00 0.00 S ATOM 412 CE MET A 30 13.493 -9.447 3.038 1.00 0.00 C ATOM 0 H MET A 30 15.495 -11.343 7.059 1.00 0.00 H new ATOM 0 HA MET A 30 13.143 -11.186 5.814 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.494 -13.032 5.485 1.00 0.00 H new ATOM 0 HB3 MET A 30 14.079 -13.313 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.229 -10.537 4.647 1.00 0.00 H new ATOM 0 HG3 MET A 30 16.039 -11.742 3.666 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.584 -9.194 2.492 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.335 -9.278 4.103 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.313 -8.820 2.688 1.00 0.00 H new ATOM 422 N SER A 31 13.304 -14.260 7.049 1.00 0.00 N ATOM 423 CA SER A 31 12.489 -15.385 7.492 1.00 0.00 C ATOM 424 C SER A 31 11.266 -14.899 8.264 1.00 0.00 C ATOM 425 O SER A 31 10.130 -15.224 7.917 1.00 0.00 O ATOM 426 CB SER A 31 13.316 -16.328 8.367 1.00 0.00 C ATOM 427 OG SER A 31 12.492 -17.289 9.003 1.00 0.00 O ATOM 0 H SER A 31 14.310 -14.421 7.101 1.00 0.00 H new ATOM 0 HA SER A 31 12.149 -15.925 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.064 -16.833 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.855 -15.752 9.119 1.00 0.00 H new ATOM 0 HG SER A 31 11.902 -16.841 9.644 1.00 0.00 H new ATOM 433 N ASP A 32 11.507 -14.119 9.311 1.00 0.00 N ATOM 434 CA ASP A 32 10.426 -13.587 10.133 1.00 0.00 C ATOM 435 C ASP A 32 9.462 -12.757 9.291 1.00 0.00 C ATOM 436 O ASP A 32 8.309 -13.140 9.090 1.00 0.00 O ATOM 437 CB ASP A 32 10.993 -12.735 11.270 1.00 0.00 C ATOM 438 CG ASP A 32 11.349 -13.562 12.490 1.00 0.00 C ATOM 439 OD1 ASP A 32 12.329 -14.332 12.421 1.00 0.00 O ATOM 440 OD2 ASP A 32 10.647 -13.438 13.516 1.00 0.00 O ATOM 0 H ASP A 32 12.441 -13.841 9.611 1.00 0.00 H new ATOM 0 HA ASP A 32 9.878 -14.428 10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.881 -12.210 10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.263 -11.975 11.550 1.00 0.00 H new ATOM 445 N LEU A 33 9.941 -11.618 8.803 1.00 0.00 N ATOM 446 CA LEU A 33 9.121 -10.733 7.983 1.00 0.00 C ATOM 447 C LEU A 33 8.187 -11.534 7.082 1.00 0.00 C ATOM 448 O LEU A 33 6.982 -11.285 7.041 1.00 0.00 O ATOM 449 CB LEU A 33 10.011 -9.823 7.134 1.00 0.00 C ATOM 450 CG LEU A 33 10.707 -8.682 7.876 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.856 -8.128 7.047 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.713 -7.581 8.215 1.00 0.00 C ATOM 0 H LEU A 33 10.892 -11.286 8.961 1.00 0.00 H new ATOM 0 HA LEU A 33 8.514 -10.120 8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.774 -10.438 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.403 -9.394 6.338 1.00 0.00 H new ATOM 0 HG LEU A 33 11.114 -9.076 8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.339 -7.317 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.581 -8.919 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.472 -7.751 6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.226 -6.777 8.743 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.275 -7.190 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.924 -7.986 8.849 1.00 0.00 H new ATOM 464 N LYS A 34 8.750 -12.499 6.363 1.00 0.00 N ATOM 465 CA LYS A 34 7.968 -13.340 5.466 1.00 0.00 C ATOM 466 C LYS A 34 6.860 -14.064 6.225 1.00 0.00 C ATOM 467 O LYS A 34 5.710 -14.088 5.788 1.00 0.00 O ATOM 468 CB LYS A 34 8.873 -14.359 4.770 1.00 0.00 C ATOM 469 CG LYS A 34 8.314 -14.871 3.454 1.00 0.00 C ATOM 470 CD LYS A 34 9.392 -15.529 2.608 1.00 0.00 C ATOM 471 CE LYS A 34 8.816 -16.628 1.728 1.00 0.00 C ATOM 472 NZ LYS A 34 9.726 -16.968 0.599 1.00 0.00 N ATOM 0 H LYS A 34 9.746 -12.718 6.384 1.00 0.00 H new ATOM 0 HA LYS A 34 7.509 -12.697 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.846 -13.903 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.036 -15.204 5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.517 -15.588 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.870 -14.044 2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.876 -14.778 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.161 -15.947 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.636 -17.519 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.851 -16.309 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.298 -17.721 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.878 -16.125 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.638 -17.296 0.975 1.00 0.00 H new ATOM 486 N GLN A 35 7.216 -14.651 7.364 1.00 0.00 N ATOM 487 CA GLN A 35 6.251 -15.374 8.183 1.00 0.00 C ATOM 488 C GLN A 35 5.045 -14.498 8.505 1.00 0.00 C ATOM 489 O GLN A 35 3.899 -14.930 8.382 1.00 0.00 O ATOM 490 CB GLN A 35 6.908 -15.854 9.478 1.00 0.00 C ATOM 491 CG GLN A 35 7.870 -17.014 9.279 1.00 0.00 C ATOM 492 CD GLN A 35 8.746 -17.260 10.492 1.00 0.00 C ATOM 493 OE1 GLN A 35 10.055 -17.320 10.274 1.00 0.00 O flip ATOM 494 NE2 GLN A 35 8.252 -17.396 11.611 1.00 0.00 N flip ATOM 0 H GLN A 35 8.164 -14.640 7.740 1.00 0.00 H new ATOM 0 HA GLN A 35 5.907 -16.239 7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.445 -15.022 9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.130 -16.154 10.180 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.303 -17.918 9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.502 -16.813 8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.241 -17.342 11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.854 -17.562 12.417 1.00 0.00 H new ATOM 503 N LYS A 36 5.311 -13.263 8.919 1.00 0.00 N ATOM 504 CA LYS A 36 4.248 -12.324 9.258 1.00 0.00 C ATOM 505 C LYS A 36 3.499 -11.874 8.008 1.00 0.00 C ATOM 506 O LYS A 36 2.283 -11.686 8.035 1.00 0.00 O ATOM 507 CB LYS A 36 4.827 -11.108 9.984 1.00 0.00 C ATOM 508 CG LYS A 36 4.978 -11.308 11.482 1.00 0.00 C ATOM 509 CD LYS A 36 6.310 -11.952 11.828 1.00 0.00 C ATOM 510 CE LYS A 36 6.777 -11.555 13.220 1.00 0.00 C ATOM 511 NZ LYS A 36 5.998 -12.246 14.284 1.00 0.00 N ATOM 0 H LYS A 36 6.254 -12.889 9.028 1.00 0.00 H new ATOM 0 HA LYS A 36 3.545 -12.833 9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.802 -10.871 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.183 -10.247 9.804 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.896 -10.346 11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.164 -11.933 11.850 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.217 -13.036 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.060 -11.657 11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.835 -11.795 13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.680 -10.476 13.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.346 -11.949 15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.992 -11.997 14.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.111 -13.275 14.184 1.00 0.00 H new ATOM 525 N TYR A 37 4.233 -11.705 6.914 1.00 0.00 N ATOM 526 CA TYR A 37 3.638 -11.277 5.653 1.00 0.00 C ATOM 527 C TYR A 37 2.631 -12.305 5.149 1.00 0.00 C ATOM 528 O TYR A 37 1.476 -11.977 4.879 1.00 0.00 O ATOM 529 CB TYR A 37 4.726 -11.054 4.601 1.00 0.00 C ATOM 530 CG TYR A 37 4.208 -11.068 3.181 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.720 -9.911 2.587 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.204 -12.240 2.434 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.245 -9.919 1.290 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.732 -12.257 1.136 1.00 0.00 C ATOM 535 CZ TYR A 37 3.253 -11.095 0.568 1.00 0.00 C ATOM 536 OH TYR A 37 2.780 -11.109 -0.724 1.00 0.00 O ATOM 0 H TYR A 37 5.241 -11.858 6.875 1.00 0.00 H new ATOM 0 HA TYR A 37 3.114 -10.338 5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.213 -10.098 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.487 -11.827 4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.712 -8.989 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.576 -13.153 2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.870 -9.010 0.844 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.738 -13.176 0.569 1.00 0.00 H new ATOM 0 HH TYR A 37 2.857 -12.014 -1.091 1.00 0.00 H new ATOM 546 N GLN A 38 3.078 -13.551 5.026 1.00 0.00 N ATOM 547 CA GLN A 38 2.216 -14.628 4.554 1.00 0.00 C ATOM 548 C GLN A 38 0.900 -14.649 5.324 1.00 0.00 C ATOM 549 O GLN A 38 -0.178 -14.560 4.736 1.00 0.00 O ATOM 550 CB GLN A 38 2.925 -15.976 4.695 1.00 0.00 C ATOM 551 CG GLN A 38 3.951 -16.241 3.605 1.00 0.00 C ATOM 552 CD GLN A 38 4.119 -17.718 3.308 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.840 -18.568 4.154 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.576 -18.031 2.101 1.00 0.00 N ATOM 0 H GLN A 38 4.031 -13.839 5.247 1.00 0.00 H new ATOM 0 HA GLN A 38 1.997 -14.449 3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.419 -16.017 5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.180 -16.772 4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.650 -15.723 2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.912 -15.823 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.794 -17.293 1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.709 -19.009 1.844 1.00 0.00 H new ATOM 563 N LYS A 39 0.995 -14.768 6.644 1.00 0.00 N ATOM 564 CA LYS A 39 -0.188 -14.800 7.497 1.00 0.00 C ATOM 565 C LYS A 39 -1.042 -13.554 7.290 1.00 0.00 C ATOM 566 O LYS A 39 -2.237 -13.551 7.588 1.00 0.00 O ATOM 567 CB LYS A 39 0.221 -14.913 8.967 1.00 0.00 C ATOM 568 CG LYS A 39 0.840 -13.643 9.525 1.00 0.00 C ATOM 569 CD LYS A 39 0.885 -13.665 11.044 1.00 0.00 C ATOM 570 CE LYS A 39 -0.462 -13.299 11.647 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.334 -12.854 13.062 1.00 0.00 N ATOM 0 H LYS A 39 1.879 -14.844 7.147 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.779 -15.674 7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.656 -15.171 9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.932 -15.732 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.850 -13.526 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.266 -12.779 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.180 -14.657 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.644 -12.967 11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.920 -12.505 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.129 -14.160 11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.274 -12.614 13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.080 -13.620 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.282 -12.017 13.108 1.00 0.00 H new ATOM 585 N LEU A 40 -0.423 -12.497 6.777 1.00 0.00 N ATOM 586 CA LEU A 40 -1.127 -11.244 6.528 1.00 0.00 C ATOM 587 C LEU A 40 -1.479 -11.101 5.050 1.00 0.00 C ATOM 588 O LEU A 40 -1.660 -9.990 4.550 1.00 0.00 O ATOM 589 CB LEU A 40 -0.273 -10.057 6.978 1.00 0.00 C ATOM 590 CG LEU A 40 -0.043 -9.929 8.484 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.895 -8.770 8.783 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.366 -9.748 9.212 1.00 0.00 C ATOM 0 H LEU A 40 0.565 -12.482 6.525 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.053 -11.256 7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.698 -10.127 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.745 -9.141 6.623 1.00 0.00 H new ATOM 0 HG LEU A 40 0.422 -10.848 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.047 -8.694 9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.853 -8.941 8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.458 -7.843 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.183 -9.659 10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.859 -8.845 8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.006 -10.610 9.024 1.00 0.00 H new ATOM 604 N ILE A 41 -1.576 -12.231 4.359 1.00 0.00 N ATOM 605 CA ILE A 41 -1.909 -12.231 2.940 1.00 0.00 C ATOM 606 C ILE A 41 -3.259 -12.896 2.692 1.00 0.00 C ATOM 607 O ILE A 41 -4.037 -12.452 1.847 1.00 0.00 O ATOM 608 CB ILE A 41 -0.833 -12.954 2.109 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.399 -12.061 1.941 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.392 -13.355 0.752 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.216 -10.967 0.913 1.00 0.00 C ATOM 0 H ILE A 41 -1.429 -13.158 4.758 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.958 -11.188 2.628 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.533 -13.858 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.643 -11.608 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.250 -12.679 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.619 -13.865 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.241 -14.024 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.716 -12.464 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.128 -10.374 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.002 -11.413 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.614 -10.325 1.209 1.00 0.00 H new ATOM 623 N LEU A 42 -3.531 -13.963 3.436 1.00 0.00 N ATOM 624 CA LEU A 42 -4.788 -14.690 3.299 1.00 0.00 C ATOM 625 C LEU A 42 -5.936 -13.919 3.943 1.00 0.00 C ATOM 626 O LEU A 42 -7.045 -13.875 3.409 1.00 0.00 O ATOM 627 CB LEU A 42 -4.670 -16.077 3.934 1.00 0.00 C ATOM 628 CG LEU A 42 -3.257 -16.653 4.031 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.304 -18.114 4.450 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.527 -16.499 2.705 1.00 0.00 C ATOM 0 H LEU A 42 -2.898 -14.343 4.140 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.001 -14.801 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.092 -16.032 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.285 -16.771 3.361 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.709 -16.096 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.289 -18.507 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.788 -18.198 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.869 -18.686 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.523 -16.914 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.073 -17.030 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.461 -15.442 2.446 1.00 0.00 H new ATOM 642 N LEU A 43 -5.662 -13.311 5.092 1.00 0.00 N ATOM 643 CA LEU A 43 -6.671 -12.539 5.809 1.00 0.00 C ATOM 644 C LEU A 43 -7.306 -11.494 4.896 1.00 0.00 C ATOM 645 O LEU A 43 -8.526 -11.326 4.884 1.00 0.00 O ATOM 646 CB LEU A 43 -6.048 -11.856 7.028 1.00 0.00 C ATOM 647 CG LEU A 43 -5.867 -12.733 8.268 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.837 -12.124 9.206 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.196 -12.925 8.984 1.00 0.00 C ATOM 0 H LEU A 43 -4.750 -13.338 5.547 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.449 -13.225 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.073 -11.462 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.669 -11.002 7.299 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.505 -13.710 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.721 -12.761 10.083 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.880 -12.039 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.170 -11.134 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.048 -13.551 9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.587 -11.955 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.906 -13.406 8.311 1.00 0.00 H new ATOM 661 N TYR A 44 -6.472 -10.796 4.134 1.00 0.00 N ATOM 662 CA TYR A 44 -6.952 -9.768 3.218 1.00 0.00 C ATOM 663 C TYR A 44 -6.920 -10.264 1.776 1.00 0.00 C ATOM 664 O TYR A 44 -6.574 -9.520 0.858 1.00 0.00 O ATOM 665 CB TYR A 44 -6.106 -8.501 3.352 1.00 0.00 C ATOM 666 CG TYR A 44 -5.946 -8.027 4.779 1.00 0.00 C ATOM 667 CD1 TYR A 44 -4.903 -8.488 5.572 1.00 0.00 C ATOM 668 CD2 TYR A 44 -6.839 -7.118 5.334 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.753 -8.059 6.877 1.00 0.00 C ATOM 670 CE2 TYR A 44 -6.696 -6.683 6.638 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.653 -7.156 7.405 1.00 0.00 C ATOM 672 OH TYR A 44 -5.507 -6.725 8.703 1.00 0.00 O ATOM 0 H TYR A 44 -5.460 -10.923 4.132 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.984 -9.537 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.120 -8.686 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.562 -7.706 2.763 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.197 -9.194 5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.658 -6.746 4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.937 -8.428 7.480 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.398 -5.976 7.054 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.222 -6.091 8.919 1.00 0.00 H new ATOM 682 N HIS A 45 -7.284 -11.528 1.584 1.00 0.00 N ATOM 683 CA HIS A 45 -7.299 -12.126 0.253 1.00 0.00 C ATOM 684 C HIS A 45 -8.729 -12.292 -0.252 1.00 0.00 C ATOM 685 O HIS A 45 -9.639 -12.654 0.494 1.00 0.00 O ATOM 686 CB HIS A 45 -6.592 -13.481 0.272 1.00 0.00 C ATOM 687 CG HIS A 45 -5.979 -13.856 -1.042 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.671 -14.519 -2.034 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.732 -13.654 -1.527 1.00 0.00 C ATOM 690 CE1 HIS A 45 -5.875 -14.711 -3.070 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.693 -14.195 -2.789 1.00 0.00 N ATOM 0 H HIS A 45 -7.572 -12.158 2.333 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.769 -11.457 -0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.814 -13.465 1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.307 -14.251 0.563 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.919 -13.159 -1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.145 -15.206 -3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.882 -14.198 -3.408 1.00 0.00 H new ATOM 700 N PRO A 46 -8.934 -12.020 -1.549 1.00 0.00 N ATOM 701 CA PRO A 46 -10.251 -12.132 -2.183 1.00 0.00 C ATOM 702 C PRO A 46 -10.711 -13.580 -2.313 1.00 0.00 C ATOM 703 O PRO A 46 -11.855 -13.909 -1.999 1.00 0.00 O ATOM 704 CB PRO A 46 -10.033 -11.514 -3.566 1.00 0.00 C ATOM 705 CG PRO A 46 -8.578 -11.688 -3.834 1.00 0.00 C ATOM 706 CD PRO A 46 -7.896 -11.583 -2.498 1.00 0.00 C ATOM 0 HA PRO A 46 -11.028 -11.639 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.637 -12.014 -4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.315 -10.461 -3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.379 -12.654 -4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.213 -10.923 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.012 -12.219 -2.447 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.568 -10.564 -2.293 1.00 0.00 H new ATOM 714 N ASP A 47 -9.812 -14.442 -2.776 1.00 0.00 N ATOM 715 CA ASP A 47 -10.125 -15.856 -2.946 1.00 0.00 C ATOM 716 C ASP A 47 -10.281 -16.544 -1.593 1.00 0.00 C ATOM 717 O ASP A 47 -11.091 -17.459 -1.440 1.00 0.00 O ATOM 718 CB ASP A 47 -9.032 -16.548 -3.761 1.00 0.00 C ATOM 719 CG ASP A 47 -9.561 -17.723 -4.559 1.00 0.00 C ATOM 720 OD1 ASP A 47 -9.949 -18.736 -3.939 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.588 -17.631 -5.804 1.00 0.00 O ATOM 0 H ASP A 47 -8.861 -14.186 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.070 -15.932 -3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.577 -15.827 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.246 -16.893 -3.090 1.00 0.00 H new ATOM 726 N LYS A 48 -9.499 -16.099 -0.616 1.00 0.00 N ATOM 727 CA LYS A 48 -9.549 -16.671 0.725 1.00 0.00 C ATOM 728 C LYS A 48 -10.680 -16.052 1.539 1.00 0.00 C ATOM 729 O LYS A 48 -10.540 -15.826 2.740 1.00 0.00 O ATOM 730 CB LYS A 48 -8.214 -16.459 1.442 1.00 0.00 C ATOM 731 CG LYS A 48 -7.005 -16.627 0.539 1.00 0.00 C ATOM 732 CD LYS A 48 -6.515 -18.065 0.525 1.00 0.00 C ATOM 733 CE LYS A 48 -5.223 -18.206 -0.266 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.093 -17.488 0.386 1.00 0.00 N ATOM 0 H LYS A 48 -8.823 -15.344 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.737 -17.740 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.198 -15.458 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.140 -17.165 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.261 -16.319 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.203 -15.972 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.356 -18.406 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.281 -18.707 0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.972 -19.262 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.369 -17.815 -1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.625 -16.872 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.456 -16.910 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.408 -18.179 0.753 1.00 0.00 H new ATOM 748 N GLN A 49 -11.800 -15.780 0.876 1.00 0.00 N ATOM 749 CA GLN A 49 -12.955 -15.187 1.540 1.00 0.00 C ATOM 750 C GLN A 49 -13.993 -16.252 1.881 1.00 0.00 C ATOM 751 O GLN A 49 -13.847 -17.416 1.511 1.00 0.00 O ATOM 752 CB GLN A 49 -13.584 -14.112 0.652 1.00 0.00 C ATOM 753 CG GLN A 49 -12.742 -12.851 0.536 1.00 0.00 C ATOM 754 CD GLN A 49 -12.588 -12.128 1.859 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.538 -11.531 2.368 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.388 -12.177 2.425 1.00 0.00 N ATOM 0 H GLN A 49 -11.932 -15.961 -0.119 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.613 -14.728 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.746 -14.524 -0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.564 -13.850 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.756 -13.111 0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.200 -12.179 -0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.629 -12.683 1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.225 -11.709 3.316 1.00 0.00 H new ATOM 765 N SER A 50 -15.041 -15.844 2.590 1.00 0.00 N ATOM 766 CA SER A 50 -16.101 -16.764 2.986 1.00 0.00 C ATOM 767 C SER A 50 -17.334 -16.000 3.459 1.00 0.00 C ATOM 768 O SER A 50 -17.222 -14.946 4.084 1.00 0.00 O ATOM 769 CB SER A 50 -15.608 -17.698 4.093 1.00 0.00 C ATOM 770 OG SER A 50 -16.342 -18.910 4.101 1.00 0.00 O ATOM 0 H SER A 50 -15.179 -14.883 2.902 1.00 0.00 H new ATOM 0 HA SER A 50 -16.376 -17.359 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.549 -17.911 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 50 -15.705 -17.204 5.060 1.00 0.00 H new ATOM 0 HG SER A 50 -16.007 -19.491 4.816 1.00 0.00 H new ATOM 776 N ALA A 51 -18.509 -16.541 3.157 1.00 0.00 N ATOM 777 CA ALA A 51 -19.764 -15.914 3.553 1.00 0.00 C ATOM 778 C ALA A 51 -19.653 -15.295 4.942 1.00 0.00 C ATOM 779 O ALA A 51 -20.340 -14.322 5.255 1.00 0.00 O ATOM 780 CB ALA A 51 -20.897 -16.928 3.513 1.00 0.00 C ATOM 0 H ALA A 51 -18.618 -17.413 2.639 1.00 0.00 H new ATOM 0 HA ALA A 51 -19.982 -15.115 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -21.828 -16.445 3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -20.999 -17.320 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -20.677 -17.747 4.198 1.00 0.00 H new ATOM 786 N ASP A 52 -18.786 -15.865 5.771 1.00 0.00 N ATOM 787 CA ASP A 52 -18.586 -15.369 7.128 1.00 0.00 C ATOM 788 C ASP A 52 -18.395 -13.855 7.130 1.00 0.00 C ATOM 789 O ASP A 52 -19.157 -13.124 7.763 1.00 0.00 O ATOM 790 CB ASP A 52 -17.375 -16.048 7.769 1.00 0.00 C ATOM 791 CG ASP A 52 -17.155 -15.608 9.202 1.00 0.00 C ATOM 792 OD1 ASP A 52 -18.133 -15.174 9.846 1.00 0.00 O ATOM 793 OD2 ASP A 52 -16.004 -15.696 9.681 1.00 0.00 O ATOM 0 H ASP A 52 -18.210 -16.671 5.527 1.00 0.00 H new ATOM 0 HA ASP A 52 -19.476 -15.607 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.511 -17.129 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.484 -15.824 7.183 1.00 0.00 H new ATOM 798 N VAL A 53 -17.373 -13.391 6.419 1.00 0.00 N ATOM 799 CA VAL A 53 -17.082 -11.965 6.339 1.00 0.00 C ATOM 800 C VAL A 53 -18.214 -11.210 5.652 1.00 0.00 C ATOM 801 O VAL A 53 -18.799 -11.675 4.672 1.00 0.00 O ATOM 802 CB VAL A 53 -15.769 -11.701 5.578 1.00 0.00 C ATOM 803 CG1 VAL A 53 -14.607 -12.413 6.255 1.00 0.00 C ATOM 804 CG2 VAL A 53 -15.898 -12.137 4.126 1.00 0.00 C ATOM 0 H VAL A 53 -16.732 -13.982 5.890 1.00 0.00 H new ATOM 0 HA VAL A 53 -16.979 -11.606 7.363 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.568 -10.630 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.688 -12.215 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.503 -12.049 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.797 -13.486 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.961 -11.943 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.123 -13.203 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.702 -11.578 3.648 1.00 0.00 H new ATOM 814 N PRO A 54 -18.534 -10.017 6.174 1.00 0.00 N ATOM 815 CA PRO A 54 -19.598 -9.172 5.626 1.00 0.00 C ATOM 816 C PRO A 54 -19.232 -8.588 4.266 1.00 0.00 C ATOM 817 O PRO A 54 -18.240 -8.984 3.657 1.00 0.00 O ATOM 818 CB PRO A 54 -19.738 -8.058 6.667 1.00 0.00 C ATOM 819 CG PRO A 54 -18.408 -7.993 7.333 1.00 0.00 C ATOM 820 CD PRO A 54 -17.879 -9.401 7.341 1.00 0.00 C ATOM 0 HA PRO A 54 -20.517 -9.733 5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -19.993 -7.108 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.529 -8.282 7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -17.734 -7.326 6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -18.498 -7.604 8.347 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -16.793 -9.423 7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.133 -9.921 8.265 1.00 0.00 H new ATOM 828 N ALA A 55 -20.040 -7.643 3.796 1.00 0.00 N ATOM 829 CA ALA A 55 -19.799 -7.002 2.509 1.00 0.00 C ATOM 830 C ALA A 55 -18.919 -5.767 2.667 1.00 0.00 C ATOM 831 O ALA A 55 -18.159 -5.415 1.766 1.00 0.00 O ATOM 832 CB ALA A 55 -21.119 -6.632 1.849 1.00 0.00 C ATOM 0 H ALA A 55 -20.867 -7.304 4.287 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.272 -7.711 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.924 -6.154 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.713 -7.533 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.667 -5.944 2.492 1.00 0.00 H new ATOM 838 N GLY A 56 -19.029 -5.111 3.818 1.00 0.00 N ATOM 839 CA GLY A 56 -18.237 -3.921 4.072 1.00 0.00 C ATOM 840 C GLY A 56 -16.763 -4.231 4.242 1.00 0.00 C ATOM 841 O GLY A 56 -15.905 -3.477 3.781 1.00 0.00 O ATOM 0 H GLY A 56 -19.652 -5.382 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.365 -3.220 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.607 -3.427 4.970 1.00 0.00 H new ATOM 845 N THR A 57 -16.466 -5.343 4.907 1.00 0.00 N ATOM 846 CA THR A 57 -15.086 -5.749 5.140 1.00 0.00 C ATOM 847 C THR A 57 -14.359 -6.006 3.824 1.00 0.00 C ATOM 848 O THR A 57 -13.181 -5.681 3.682 1.00 0.00 O ATOM 849 CB THR A 57 -15.012 -7.018 6.010 1.00 0.00 C ATOM 850 OG1 THR A 57 -15.629 -6.778 7.279 1.00 0.00 O ATOM 851 CG2 THR A 57 -13.568 -7.451 6.215 1.00 0.00 C ATOM 0 H THR A 57 -17.163 -5.979 5.294 1.00 0.00 H new ATOM 0 HA THR A 57 -14.600 -4.928 5.667 1.00 0.00 H new ATOM 0 HB THR A 57 -15.544 -7.817 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.579 -7.590 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.542 -8.349 6.832 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.111 -7.662 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.016 -6.653 6.711 1.00 0.00 H new ATOM 859 N MET A 58 -15.071 -6.589 2.865 1.00 0.00 N ATOM 860 CA MET A 58 -14.493 -6.887 1.560 1.00 0.00 C ATOM 861 C MET A 58 -13.835 -5.648 0.961 1.00 0.00 C ATOM 862 O MET A 58 -12.731 -5.721 0.421 1.00 0.00 O ATOM 863 CB MET A 58 -15.569 -7.417 0.610 1.00 0.00 C ATOM 864 CG MET A 58 -15.028 -8.344 -0.466 1.00 0.00 C ATOM 865 SD MET A 58 -14.154 -9.765 0.218 1.00 0.00 S ATOM 866 CE MET A 58 -12.452 -9.262 -0.021 1.00 0.00 C ATOM 0 H MET A 58 -16.048 -6.864 2.967 1.00 0.00 H new ATOM 0 HA MET A 58 -13.729 -7.653 1.695 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.324 -7.948 1.190 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.069 -6.573 0.133 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.853 -8.694 -1.087 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.354 -7.786 -1.116 1.00 0.00 H new ATOM 0 HE1 MET A 58 -11.852 -9.595 0.826 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.066 -9.709 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.401 -8.176 -0.097 1.00 0.00 H new ATOM 876 N GLU A 59 -14.520 -4.513 1.060 1.00 0.00 N ATOM 877 CA GLU A 59 -14.000 -3.259 0.526 1.00 0.00 C ATOM 878 C GLU A 59 -12.704 -2.865 1.228 1.00 0.00 C ATOM 879 O GLU A 59 -11.742 -2.445 0.586 1.00 0.00 O ATOM 880 CB GLU A 59 -15.037 -2.145 0.682 1.00 0.00 C ATOM 881 CG GLU A 59 -14.502 -0.764 0.343 1.00 0.00 C ATOM 882 CD GLU A 59 -15.539 0.326 0.531 1.00 0.00 C ATOM 883 OE1 GLU A 59 -16.031 0.486 1.668 1.00 0.00 O ATOM 884 OE2 GLU A 59 -15.860 1.018 -0.458 1.00 0.00 O ATOM 0 H GLU A 59 -15.435 -4.436 1.504 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.789 -3.404 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.891 -2.362 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.403 -2.142 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.637 -0.549 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.156 -0.756 -0.690 1.00 0.00 H new ATOM 891 N GLU A 60 -12.688 -3.002 2.550 1.00 0.00 N ATOM 892 CA GLU A 60 -11.512 -2.659 3.339 1.00 0.00 C ATOM 893 C GLU A 60 -10.368 -3.630 3.062 1.00 0.00 C ATOM 894 O GLU A 60 -9.197 -3.251 3.089 1.00 0.00 O ATOM 895 CB GLU A 60 -11.851 -2.665 4.831 1.00 0.00 C ATOM 896 CG GLU A 60 -12.946 -1.683 5.211 1.00 0.00 C ATOM 897 CD GLU A 60 -12.626 -0.261 4.792 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.686 0.328 5.365 1.00 0.00 O ATOM 899 OE2 GLU A 60 -13.315 0.262 3.891 1.00 0.00 O ATOM 0 H GLU A 60 -13.476 -3.348 3.097 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.193 -1.657 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.159 -3.670 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.951 -2.431 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.883 -1.992 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.098 -1.714 6.290 1.00 0.00 H new ATOM 906 N CYS A 61 -10.717 -4.885 2.798 1.00 0.00 N ATOM 907 CA CYS A 61 -9.720 -5.912 2.517 1.00 0.00 C ATOM 908 C CYS A 61 -8.833 -5.504 1.346 1.00 0.00 C ATOM 909 O CYS A 61 -7.617 -5.692 1.380 1.00 0.00 O ATOM 910 CB CYS A 61 -10.404 -7.246 2.214 1.00 0.00 C ATOM 911 SG CYS A 61 -10.699 -8.272 3.673 1.00 0.00 S ATOM 0 H CYS A 61 -11.682 -5.215 2.773 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.093 -6.026 3.401 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.357 -7.050 1.722 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.790 -7.805 1.508 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.283 -9.377 3.315 1.00 0.00 H new ATOM 917 N MET A 62 -9.450 -4.945 0.309 1.00 0.00 N ATOM 918 CA MET A 62 -8.716 -4.511 -0.873 1.00 0.00 C ATOM 919 C MET A 62 -7.583 -3.563 -0.492 1.00 0.00 C ATOM 920 O MET A 62 -6.416 -3.834 -0.773 1.00 0.00 O ATOM 921 CB MET A 62 -9.660 -3.824 -1.862 1.00 0.00 C ATOM 922 CG MET A 62 -9.049 -3.611 -3.238 1.00 0.00 C ATOM 923 SD MET A 62 -9.229 -5.052 -4.308 1.00 0.00 S ATOM 924 CE MET A 62 -7.523 -5.343 -4.772 1.00 0.00 C ATOM 0 H MET A 62 -10.456 -4.782 0.264 1.00 0.00 H new ATOM 0 HA MET A 62 -8.285 -5.393 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.565 -4.423 -1.964 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.961 -2.859 -1.454 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.521 -2.750 -3.712 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.991 -3.374 -3.129 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.469 -6.206 -5.436 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.131 -4.465 -5.285 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.930 -5.535 -3.878 1.00 0.00 H new ATOM 934 N GLN A 63 -7.936 -2.452 0.147 1.00 0.00 N ATOM 935 CA GLN A 63 -6.948 -1.465 0.565 1.00 0.00 C ATOM 936 C GLN A 63 -5.765 -2.137 1.255 1.00 0.00 C ATOM 937 O GLN A 63 -4.618 -1.979 0.838 1.00 0.00 O ATOM 938 CB GLN A 63 -7.586 -0.440 1.503 1.00 0.00 C ATOM 939 CG GLN A 63 -8.556 0.502 0.807 1.00 0.00 C ATOM 940 CD GLN A 63 -8.636 1.858 1.479 1.00 0.00 C ATOM 941 OE1 GLN A 63 -8.917 1.957 2.674 1.00 0.00 O ATOM 942 NE2 GLN A 63 -8.390 2.914 0.713 1.00 0.00 N ATOM 0 H GLN A 63 -8.898 -2.213 0.386 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.583 -0.954 -0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.112 -0.967 2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.799 0.147 1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.248 0.633 -0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.548 0.050 0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.161 2.787 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.430 3.853 1.110 1.00 0.00 H new ATOM 951 N LYS A 64 -6.053 -2.887 2.313 1.00 0.00 N ATOM 952 CA LYS A 64 -5.014 -3.584 3.062 1.00 0.00 C ATOM 953 C LYS A 64 -4.179 -4.468 2.140 1.00 0.00 C ATOM 954 O LYS A 64 -2.960 -4.316 2.055 1.00 0.00 O ATOM 955 CB LYS A 64 -5.638 -4.434 4.171 1.00 0.00 C ATOM 956 CG LYS A 64 -6.579 -3.656 5.075 1.00 0.00 C ATOM 957 CD LYS A 64 -5.832 -2.619 5.897 1.00 0.00 C ATOM 958 CE LYS A 64 -5.344 -3.198 7.216 1.00 0.00 C ATOM 959 NZ LYS A 64 -4.040 -3.900 7.064 1.00 0.00 N ATOM 0 H LYS A 64 -6.998 -3.028 2.671 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.361 -2.835 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.183 -5.263 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.842 -4.868 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.341 -3.163 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.098 -4.345 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.982 -2.245 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.485 -1.768 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.242 -2.397 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.088 -3.893 7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.372 -3.550 7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.179 -4.923 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.657 -3.719 6.114 1.00 0.00 H new ATOM 973 N PHE A 65 -4.843 -5.390 1.451 1.00 0.00 N ATOM 974 CA PHE A 65 -4.161 -6.297 0.534 1.00 0.00 C ATOM 975 C PHE A 65 -3.174 -5.539 -0.348 1.00 0.00 C ATOM 976 O PHE A 65 -2.011 -5.926 -0.471 1.00 0.00 O ATOM 977 CB PHE A 65 -5.180 -7.035 -0.338 1.00 0.00 C ATOM 978 CG PHE A 65 -4.571 -8.111 -1.191 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.056 -9.261 -0.615 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.512 -7.971 -2.568 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.495 -10.253 -1.397 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.953 -8.960 -3.355 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.443 -10.102 -2.769 1.00 0.00 C ATOM 0 H PHE A 65 -5.852 -5.529 1.510 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.606 -7.024 1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.942 -7.478 0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.685 -6.315 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.093 -9.384 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.907 -7.079 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.098 -11.145 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.915 -8.840 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.004 -10.875 -3.382 1.00 0.00 H new ATOM 993 N ILE A 66 -3.646 -4.458 -0.960 1.00 0.00 N ATOM 994 CA ILE A 66 -2.805 -3.646 -1.831 1.00 0.00 C ATOM 995 C ILE A 66 -1.562 -3.158 -1.095 1.00 0.00 C ATOM 996 O ILE A 66 -0.473 -3.102 -1.666 1.00 0.00 O ATOM 997 CB ILE A 66 -3.573 -2.429 -2.379 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.665 -2.883 -3.351 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.617 -1.463 -3.063 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.570 -1.761 -3.810 1.00 0.00 C ATOM 0 H ILE A 66 -4.606 -4.124 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.506 -4.282 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.047 -1.912 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.197 -3.341 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.269 -3.653 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.175 -0.608 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.872 -1.119 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.118 -1.969 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.319 -2.156 -4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.066 -1.318 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.977 -1.000 -4.318 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.732 -2.808 0.176 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.622 -2.326 0.990 1.00 0.00 C ATOM 1014 C GLU A 67 0.336 -3.464 1.333 1.00 0.00 C ATOM 1015 O GLU A 67 1.552 -3.325 1.203 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.146 -1.681 2.275 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.557 -0.229 2.104 1.00 0.00 C ATOM 1018 CD GLU A 67 -0.517 0.588 1.362 1.00 0.00 C ATOM 1019 OE1 GLU A 67 0.677 0.493 1.718 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -0.896 1.322 0.425 1.00 0.00 O ATOM 0 H GLU A 67 -2.627 -2.849 0.664 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.078 -1.579 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.002 -2.252 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.375 -1.743 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.502 -0.184 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.729 0.214 3.085 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.222 -4.587 1.770 1.00 0.00 N ATOM 1028 CA ILE A 68 0.581 -5.749 2.131 1.00 0.00 C ATOM 1029 C ILE A 68 1.443 -6.206 0.958 1.00 0.00 C ATOM 1030 O ILE A 68 2.614 -6.545 1.130 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.301 -6.922 2.594 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.174 -6.497 3.777 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.561 -8.118 2.968 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.439 -7.314 3.919 1.00 0.00 C ATOM 0 H ILE A 68 -1.227 -4.717 1.883 1.00 0.00 H new ATOM 0 HA ILE A 68 1.225 -5.444 2.956 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.954 -7.213 1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.593 -6.580 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.441 -5.446 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.078 -8.939 3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.143 -8.432 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.236 -7.841 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.008 -6.957 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.041 -7.212 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.180 -8.363 4.066 1.00 0.00 H new ATOM 1046 N ASP A 69 0.855 -6.213 -0.233 1.00 0.00 N ATOM 1047 CA ASP A 69 1.569 -6.626 -1.435 1.00 0.00 C ATOM 1048 C ASP A 69 2.718 -5.671 -1.740 1.00 0.00 C ATOM 1049 O ASP A 69 3.614 -5.993 -2.520 1.00 0.00 O ATOM 1050 CB ASP A 69 0.611 -6.688 -2.627 1.00 0.00 C ATOM 1051 CG ASP A 69 1.119 -7.595 -3.731 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.083 -8.830 -3.547 1.00 0.00 O ATOM 1053 OD2 ASP A 69 1.553 -7.071 -4.778 1.00 0.00 O ATOM 0 H ASP A 69 -0.114 -5.937 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 69 1.983 -7.619 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.363 -7.042 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.464 -5.684 -3.024 1.00 0.00 H new ATOM 1058 N GLN A 70 2.685 -4.496 -1.121 1.00 0.00 N ATOM 1059 CA GLN A 70 3.723 -3.494 -1.328 1.00 0.00 C ATOM 1060 C GLN A 70 4.809 -3.608 -0.263 1.00 0.00 C ATOM 1061 O GLN A 70 6.000 -3.588 -0.573 1.00 0.00 O ATOM 1062 CB GLN A 70 3.118 -2.089 -1.307 1.00 0.00 C ATOM 1063 CG GLN A 70 2.580 -1.639 -2.656 1.00 0.00 C ATOM 1064 CD GLN A 70 1.873 -0.300 -2.585 1.00 0.00 C ATOM 1065 OE1 GLN A 70 2.264 0.581 -1.818 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.827 -0.139 -3.386 1.00 0.00 N ATOM 0 H GLN A 70 1.950 -4.214 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 70 4.175 -3.672 -2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.311 -2.061 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.876 -1.381 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.403 -1.574 -3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.889 -2.391 -3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.538 -0.896 -4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.312 0.742 -3.382 1.00 0.00 H new ATOM 1075 N ALA A 71 4.390 -3.726 0.993 1.00 0.00 N ATOM 1076 CA ALA A 71 5.327 -3.845 2.103 1.00 0.00 C ATOM 1077 C ALA A 71 6.361 -4.934 1.835 1.00 0.00 C ATOM 1078 O ALA A 71 7.499 -4.849 2.296 1.00 0.00 O ATOM 1079 CB ALA A 71 4.579 -4.131 3.396 1.00 0.00 C ATOM 0 H ALA A 71 3.408 -3.742 1.267 1.00 0.00 H new ATOM 0 HA ALA A 71 5.855 -2.897 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.291 -4.217 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.885 -3.317 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.025 -5.064 3.297 1.00 0.00 H new ATOM 1085 N TRP A 72 5.956 -5.956 1.089 1.00 0.00 N ATOM 1086 CA TRP A 72 6.848 -7.062 0.761 1.00 0.00 C ATOM 1087 C TRP A 72 7.784 -6.687 -0.383 1.00 0.00 C ATOM 1088 O TRP A 72 8.949 -7.085 -0.403 1.00 0.00 O ATOM 1089 CB TRP A 72 6.037 -8.304 0.387 1.00 0.00 C ATOM 1090 CG TRP A 72 6.881 -9.528 0.194 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.930 -10.323 -0.916 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.793 -10.098 1.139 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.819 -11.352 -0.717 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.362 -11.236 0.535 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.186 -9.756 2.436 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.301 -12.033 1.185 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.118 -10.548 3.080 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.667 -11.675 2.454 1.00 0.00 C ATOM 0 H TRP A 72 5.017 -6.042 0.700 1.00 0.00 H new ATOM 0 HA TRP A 72 7.452 -7.282 1.641 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.302 -8.498 1.168 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.483 -8.105 -0.530 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.355 -10.166 -1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.039 -12.084 -1.393 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.769 -8.889 2.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.725 -12.902 0.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.428 -10.294 4.083 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.394 -12.273 2.984 1.00 0.00 H new ATOM 1109 N LYS A 73 7.267 -5.918 -1.336 1.00 0.00 N ATOM 1110 CA LYS A 73 8.056 -5.487 -2.484 1.00 0.00 C ATOM 1111 C LYS A 73 9.362 -4.839 -2.034 1.00 0.00 C ATOM 1112 O LYS A 73 10.314 -4.737 -2.808 1.00 0.00 O ATOM 1113 CB LYS A 73 7.255 -4.503 -3.339 1.00 0.00 C ATOM 1114 CG LYS A 73 6.166 -5.164 -4.167 1.00 0.00 C ATOM 1115 CD LYS A 73 5.248 -4.135 -4.804 1.00 0.00 C ATOM 1116 CE LYS A 73 5.866 -3.538 -6.059 1.00 0.00 C ATOM 1117 NZ LYS A 73 5.600 -4.376 -7.261 1.00 0.00 N ATOM 0 H LYS A 73 6.304 -5.580 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 73 8.294 -6.368 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.802 -3.755 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.937 -3.975 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.621 -5.778 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.582 -5.832 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.295 -4.601 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.037 -3.341 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.467 -2.536 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.942 -3.434 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.038 -3.935 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.003 -5.324 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.574 -4.455 -7.409 1.00 0.00 H new ATOM 1131 N ILE A 74 9.400 -4.405 -0.779 1.00 0.00 N ATOM 1132 CA ILE A 74 10.590 -3.770 -0.226 1.00 0.00 C ATOM 1133 C ILE A 74 11.216 -4.631 0.866 1.00 0.00 C ATOM 1134 O ILE A 74 12.438 -4.748 0.955 1.00 0.00 O ATOM 1135 CB ILE A 74 10.269 -2.379 0.353 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.844 -1.423 -0.764 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.472 -1.827 1.102 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.476 -1.727 -1.332 1.00 0.00 C ATOM 0 H ILE A 74 8.620 -4.481 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 74 11.298 -3.658 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 74 9.442 -2.476 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.850 -0.403 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.580 -1.466 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.230 -0.844 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.732 -2.500 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.317 -1.741 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.241 -1.010 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.470 -2.735 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.730 -1.656 -0.541 1.00 0.00 H new ATOM 1150 N LEU A 75 10.369 -5.233 1.694 1.00 0.00 N ATOM 1151 CA LEU A 75 10.839 -6.086 2.781 1.00 0.00 C ATOM 1152 C LEU A 75 10.787 -7.556 2.380 1.00 0.00 C ATOM 1153 O LEU A 75 10.575 -8.432 3.218 1.00 0.00 O ATOM 1154 CB LEU A 75 9.995 -5.857 4.036 1.00 0.00 C ATOM 1155 CG LEU A 75 9.871 -4.408 4.506 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.073 -4.333 5.799 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.248 -3.787 4.691 1.00 0.00 C ATOM 0 H LEU A 75 9.354 -5.147 1.634 1.00 0.00 H new ATOM 0 HA LEU A 75 11.875 -5.823 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.993 -6.245 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.421 -6.446 4.848 1.00 0.00 H new ATOM 0 HG LEU A 75 9.339 -3.842 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.995 -3.294 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.075 -4.738 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.577 -4.913 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.140 -2.755 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.806 -4.354 5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.786 -3.806 3.743 1.00 0.00 H new ATOM 1169 N GLY A 76 10.983 -7.821 1.091 1.00 0.00 N ATOM 1170 CA GLY A 76 10.957 -9.187 0.602 1.00 0.00 C ATOM 1171 C GLY A 76 12.265 -9.596 -0.046 1.00 0.00 C ATOM 1172 O GLY A 76 12.582 -10.782 -0.122 1.00 0.00 O ATOM 0 H GLY A 76 11.159 -7.114 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.739 -9.862 1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.148 -9.296 -0.120 1.00 0.00 H new ATOM 1176 N ASN A 77 13.024 -8.612 -0.515 1.00 0.00 N ATOM 1177 CA ASN A 77 14.304 -8.876 -1.162 1.00 0.00 C ATOM 1178 C ASN A 77 15.463 -8.409 -0.287 1.00 0.00 C ATOM 1179 O ASN A 77 15.264 -7.686 0.688 1.00 0.00 O ATOM 1180 CB ASN A 77 14.365 -8.179 -2.523 1.00 0.00 C ATOM 1181 CG ASN A 77 13.175 -8.517 -3.400 1.00 0.00 C ATOM 1182 OD1 ASN A 77 12.264 -9.231 -2.981 1.00 0.00 O ATOM 1183 ND2 ASN A 77 13.178 -8.004 -4.625 1.00 0.00 N ATOM 0 H ASN A 77 12.775 -7.624 -0.459 1.00 0.00 H new ATOM 0 HA ASN A 77 14.393 -9.952 -1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.408 -7.100 -2.374 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.283 -8.467 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.404 -8.197 -5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.954 -7.417 -4.930 1.00 0.00 H new ATOM 1190 N GLU A 78 16.673 -8.829 -0.643 1.00 0.00 N ATOM 1191 CA GLU A 78 17.864 -8.453 0.111 1.00 0.00 C ATOM 1192 C GLU A 78 18.345 -7.062 -0.290 1.00 0.00 C ATOM 1193 O GLU A 78 18.854 -6.308 0.538 1.00 0.00 O ATOM 1194 CB GLU A 78 18.980 -9.475 -0.114 1.00 0.00 C ATOM 1195 CG GLU A 78 20.133 -9.342 0.867 1.00 0.00 C ATOM 1196 CD GLU A 78 21.395 -10.028 0.380 1.00 0.00 C ATOM 1197 OE1 GLU A 78 21.376 -11.268 0.232 1.00 0.00 O ATOM 1198 OE2 GLU A 78 22.400 -9.325 0.147 1.00 0.00 O ATOM 0 H GLU A 78 16.855 -9.429 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 78 17.603 -8.437 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.563 -10.479 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.363 -9.365 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.341 -8.286 1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.840 -9.768 1.827 1.00 0.00 H new ATOM 1205 N GLU A 79 18.181 -6.730 -1.567 1.00 0.00 N ATOM 1206 CA GLU A 79 18.600 -5.430 -2.078 1.00 0.00 C ATOM 1207 C GLU A 79 17.684 -4.323 -1.566 1.00 0.00 C ATOM 1208 O GLU A 79 18.139 -3.361 -0.946 1.00 0.00 O ATOM 1209 CB GLU A 79 18.605 -5.437 -3.609 1.00 0.00 C ATOM 1210 CG GLU A 79 18.848 -4.068 -4.222 1.00 0.00 C ATOM 1211 CD GLU A 79 20.322 -3.732 -4.332 1.00 0.00 C ATOM 1212 OE1 GLU A 79 21.087 -4.106 -3.419 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.712 -3.094 -5.333 1.00 0.00 O ATOM 0 H GLU A 79 17.761 -7.343 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 79 19.611 -5.235 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.375 -6.124 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.649 -5.821 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.396 -4.032 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.350 -3.310 -3.617 1.00 0.00 H new ATOM 1220 N THR A 80 16.389 -4.465 -1.831 1.00 0.00 N ATOM 1221 CA THR A 80 15.408 -3.477 -1.399 1.00 0.00 C ATOM 1222 C THR A 80 15.455 -3.279 0.112 1.00 0.00 C ATOM 1223 O THR A 80 15.756 -2.188 0.597 1.00 0.00 O ATOM 1224 CB THR A 80 13.980 -3.887 -1.807 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.661 -5.168 -1.253 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.843 -3.935 -3.322 1.00 0.00 C ATOM 0 H THR A 80 15.995 -5.255 -2.343 1.00 0.00 H new ATOM 0 HA THR A 80 15.665 -2.540 -1.894 1.00 0.00 H new ATOM 0 HB THR A 80 13.286 -3.141 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.163 -5.048 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.827 -4.227 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.058 -2.951 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.546 -4.662 -3.728 1.00 0.00 H new ATOM 1234 N LYS A 81 15.157 -4.341 0.852 1.00 0.00 N ATOM 1235 CA LYS A 81 15.167 -4.286 2.309 1.00 0.00 C ATOM 1236 C LYS A 81 16.399 -3.543 2.817 1.00 0.00 C ATOM 1237 O LYS A 81 16.311 -2.727 3.735 1.00 0.00 O ATOM 1238 CB LYS A 81 15.134 -5.700 2.894 1.00 0.00 C ATOM 1239 CG LYS A 81 15.117 -5.730 4.413 1.00 0.00 C ATOM 1240 CD LYS A 81 15.614 -7.061 4.950 1.00 0.00 C ATOM 1241 CE LYS A 81 15.543 -7.111 6.468 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.787 -6.592 7.100 1.00 0.00 N ATOM 0 H LYS A 81 14.905 -5.251 0.466 1.00 0.00 H new ATOM 0 HA LYS A 81 14.278 -3.745 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.252 -6.219 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.004 -6.252 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.741 -4.925 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.103 -5.548 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.016 -7.870 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.642 -7.224 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.690 -6.525 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.374 -8.139 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.698 -6.643 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.598 -7.166 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.935 -5.603 6.814 1.00 0.00 H new ATOM 1256 N LYS A 82 17.548 -3.830 2.214 1.00 0.00 N ATOM 1257 CA LYS A 82 18.798 -3.188 2.602 1.00 0.00 C ATOM 1258 C LYS A 82 18.701 -1.673 2.450 1.00 0.00 C ATOM 1259 O LYS A 82 19.023 -0.925 3.373 1.00 0.00 O ATOM 1260 CB LYS A 82 19.955 -3.724 1.755 1.00 0.00 C ATOM 1261 CG LYS A 82 21.288 -3.061 2.058 1.00 0.00 C ATOM 1262 CD LYS A 82 22.231 -3.138 0.870 1.00 0.00 C ATOM 1263 CE LYS A 82 21.853 -2.133 -0.207 1.00 0.00 C ATOM 1264 NZ LYS A 82 22.285 -0.752 0.145 1.00 0.00 N ATOM 0 H LYS A 82 17.639 -4.504 1.454 1.00 0.00 H new ATOM 0 HA LYS A 82 18.986 -3.419 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.047 -4.798 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.719 -3.581 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.124 -2.017 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.748 -3.543 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.252 -2.951 1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.211 -4.145 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.309 -2.426 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.773 -2.149 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.455 -0.126 0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.748 -0.760 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.954 -0.404 -0.571 1.00 0.00 H new ATOM 1278 N LYS A 83 18.256 -1.228 1.281 1.00 0.00 N ATOM 1279 CA LYS A 83 18.114 0.198 1.008 1.00 0.00 C ATOM 1280 C LYS A 83 17.159 0.850 2.003 1.00 0.00 C ATOM 1281 O LYS A 83 17.521 1.804 2.692 1.00 0.00 O ATOM 1282 CB LYS A 83 17.607 0.417 -0.419 1.00 0.00 C ATOM 1283 CG LYS A 83 18.583 -0.044 -1.488 1.00 0.00 C ATOM 1284 CD LYS A 83 18.064 0.258 -2.884 1.00 0.00 C ATOM 1285 CE LYS A 83 19.016 -0.252 -3.955 1.00 0.00 C ATOM 1286 NZ LYS A 83 18.530 0.066 -5.326 1.00 0.00 N ATOM 0 H LYS A 83 17.987 -1.834 0.506 1.00 0.00 H new ATOM 0 HA LYS A 83 19.095 0.662 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.664 -0.114 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.398 1.477 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.544 0.449 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.756 -1.115 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.085 -0.202 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.929 1.334 -2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.001 0.192 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.134 -1.331 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.206 -0.298 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.602 -0.378 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 18.442 1.097 -5.433 1.00 0.00 H new ATOM 1300 N TYR A 84 15.939 0.328 2.075 1.00 0.00 N ATOM 1301 CA TYR A 84 14.933 0.860 2.985 1.00 0.00 C ATOM 1302 C TYR A 84 15.498 1.013 4.394 1.00 0.00 C ATOM 1303 O TYR A 84 15.526 2.112 4.948 1.00 0.00 O ATOM 1304 CB TYR A 84 13.706 -0.053 3.012 1.00 0.00 C ATOM 1305 CG TYR A 84 12.525 0.541 3.748 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.945 1.730 3.324 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.991 -0.087 4.866 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.867 2.277 3.993 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.912 0.451 5.539 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.354 1.634 5.100 1.00 0.00 C ATOM 1311 OH TYR A 84 9.280 2.174 5.769 1.00 0.00 O ATOM 0 H TYR A 84 15.624 -0.463 1.514 1.00 0.00 H new ATOM 0 HA TYR A 84 14.637 1.845 2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.409 -0.279 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.977 -0.999 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.344 2.235 2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.427 -1.011 5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.429 3.203 3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.507 -0.052 6.405 1.00 0.00 H new ATOM 0 HH TYR A 84 8.681 2.610 5.128 1.00 0.00 H new ATOM 1321 N ASP A 85 15.949 -0.098 4.967 1.00 0.00 N ATOM 1322 CA ASP A 85 16.516 -0.089 6.310 1.00 0.00 C ATOM 1323 C ASP A 85 17.483 1.078 6.484 1.00 0.00 C ATOM 1324 O ASP A 85 17.591 1.653 7.568 1.00 0.00 O ATOM 1325 CB ASP A 85 17.235 -1.409 6.592 1.00 0.00 C ATOM 1326 CG ASP A 85 17.206 -1.782 8.061 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.095 -1.923 8.615 1.00 0.00 O ATOM 1328 OD2 ASP A 85 18.293 -1.933 8.657 1.00 0.00 O ATOM 0 H ASP A 85 15.933 -1.016 4.522 1.00 0.00 H new ATOM 0 HA ASP A 85 15.699 0.030 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.770 -2.204 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.270 -1.334 6.260 1.00 0.00 H new ATOM 1333 N LEU A 86 18.186 1.422 5.411 1.00 0.00 N ATOM 1334 CA LEU A 86 19.146 2.520 5.444 1.00 0.00 C ATOM 1335 C LEU A 86 18.440 3.865 5.308 1.00 0.00 C ATOM 1336 O LEU A 86 18.777 4.826 5.999 1.00 0.00 O ATOM 1337 CB LEU A 86 20.177 2.357 4.326 1.00 0.00 C ATOM 1338 CG LEU A 86 21.041 1.098 4.388 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.630 0.786 3.021 1.00 0.00 C ATOM 1340 CD2 LEU A 86 22.146 1.260 5.422 1.00 0.00 C ATOM 0 H LEU A 86 18.109 0.956 4.507 1.00 0.00 H new ATOM 0 HA LEU A 86 19.657 2.494 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.652 2.366 3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.835 3.226 4.337 1.00 0.00 H new ATOM 0 HG LEU A 86 20.409 0.262 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.242 -0.114 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.824 0.626 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 86 22.247 1.622 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.751 0.354 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.775 2.108 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.704 1.434 6.403 1.00 0.00 H new ATOM 1352 N GLN A 87 17.457 3.924 4.415 1.00 0.00 N ATOM 1353 CA GLN A 87 16.702 5.151 4.190 1.00 0.00 C ATOM 1354 C GLN A 87 15.983 5.588 5.462 1.00 0.00 C ATOM 1355 O GLN A 87 16.138 6.722 5.916 1.00 0.00 O ATOM 1356 CB GLN A 87 15.691 4.953 3.060 1.00 0.00 C ATOM 1357 CG GLN A 87 16.271 5.194 1.675 1.00 0.00 C ATOM 1358 CD GLN A 87 16.645 6.644 1.443 1.00 0.00 C ATOM 1359 OE1 GLN A 87 17.795 7.039 1.635 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.672 7.447 1.028 1.00 0.00 N ATOM 0 H GLN A 87 17.165 3.137 3.836 1.00 0.00 H new ATOM 0 HA GLN A 87 17.405 5.934 3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.299 3.937 3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.849 5.628 3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.154 4.569 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.545 4.885 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.733 7.077 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.864 8.434 0.855 1.00 0.00 H new ATOM 1369 N ARG A 88 15.194 4.682 6.031 1.00 0.00 N ATOM 1370 CA ARG A 88 14.449 4.975 7.249 1.00 0.00 C ATOM 1371 C ARG A 88 15.371 5.533 8.330 1.00 0.00 C ATOM 1372 O ARG A 88 15.021 6.485 9.028 1.00 0.00 O ATOM 1373 CB ARG A 88 13.752 3.714 7.761 1.00 0.00 C ATOM 1374 CG ARG A 88 14.713 2.625 8.210 1.00 0.00 C ATOM 1375 CD ARG A 88 13.972 1.364 8.625 1.00 0.00 C ATOM 1376 NE ARG A 88 13.292 1.525 9.907 1.00 0.00 N ATOM 1377 CZ ARG A 88 12.082 2.057 10.035 1.00 0.00 C ATOM 1378 NH1 ARG A 88 11.421 2.476 8.965 1.00 0.00 N ATOM 1379 NH2 ARG A 88 11.529 2.170 11.236 1.00 0.00 N ATOM 0 H ARG A 88 15.054 3.739 5.668 1.00 0.00 H new ATOM 0 HA ARG A 88 13.697 5.728 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 88 13.104 3.981 8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.111 3.318 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.404 2.392 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.311 2.988 9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.243 1.103 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.676 0.535 8.690 1.00 0.00 H new ATOM 0 HE ARG A 88 13.773 1.212 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.842 2.390 8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.492 2.884 9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.033 1.848 12.062 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.600 2.579 11.333 1.00 0.00 H new