USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 804 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 54 THR OG1 : rot 21:sc= -0.123 USER MOD Set 1.2: A 57 SER OG : rot -55:sc= 0.83 USER MOD Single : A 17 THR OG1 : rot 48:sc= 0.806 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0819 USER MOD Single : A 22 ASN : amide:sc= -0.291 K(o=-0.29,f=-2.9!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -7.69! C(o=-7.7!,f=-15!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.672) USER MOD Single : A 35 TYR OH : rot 165:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 42 HIS : no HD1:sc= 0.478 K(o=0.48,f=-2.3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 46 THR OG1 : rot -22:sc= 0.534 USER MOD Single : A 48 ASN : amide:sc= -4.01! K(o=-4!,f=-4.5) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.047 F(o=-0.6,f=-0.047) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.9!) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.577 F(o=-1.4,f=-0.58) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -1.49 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.97 USER MOD Single : A 71 SER OG : rot -53:sc= 0.94 USER MOD Single : A 72 MET CE :methyl -139:sc= -8.96! (180deg=-13.8!) USER MOD Single : A 75 ASN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.41! C(o=-3.4!,f=-4.6!) USER MOD Single : A 79 LYS NZ :NH3+ 136:sc= -0.59 (180deg=-0.703) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 27:sc= 1.07 USER MOD Single : A 87 SER OG : rot 180:sc= -0.392 USER MOD Single : A 88 LYS NZ :NH3+ -108:sc= -1.18 (180deg=-3.88!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -21:sc= 0.19 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.179 USER MOD Single : A 101 LYS NZ :NH3+ -118:sc= 0.934 (180deg=-1.21!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 106 THR OG1 : rot -147:sc= -0.614 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N THR A 17 -8.357 -6.614 9.493 1.00 0.00 N ATOM 198 CA THR A 17 -8.065 -5.772 8.346 1.00 0.00 C ATOM 199 C THR A 17 -7.948 -6.621 7.078 1.00 0.00 C ATOM 200 O THR A 17 -7.507 -7.768 7.133 1.00 0.00 O ATOM 201 CB THR A 17 -6.801 -4.969 8.658 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.733 -4.968 10.081 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.940 -3.491 8.290 1.00 0.00 C ATOM 0 HA THR A 17 -8.875 -5.068 8.155 1.00 0.00 H new ATOM 0 HB THR A 17 -5.956 -5.399 8.119 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.865 -5.880 10.415 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.015 -2.967 8.532 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.141 -3.399 7.223 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.764 -3.052 8.853 1.00 0.00 H new ATOM 211 N VAL A 18 -8.350 -6.024 5.966 1.00 0.00 N ATOM 212 CA VAL A 18 -8.296 -6.710 4.686 1.00 0.00 C ATOM 213 C VAL A 18 -6.850 -6.737 4.188 1.00 0.00 C ATOM 214 O VAL A 18 -6.051 -5.872 4.543 1.00 0.00 O ATOM 215 CB VAL A 18 -9.257 -6.049 3.696 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.980 -6.518 2.267 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.713 -6.312 4.087 1.00 0.00 C ATOM 0 H VAL A 18 -8.715 -5.072 5.925 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.623 -7.744 4.793 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.089 -4.973 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.677 -6.033 1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.959 -6.257 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.107 -7.599 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.376 -5.831 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.900 -7.386 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.902 -5.906 5.081 1.00 0.00 H new ATOM 227 N LYS A 19 -6.557 -7.740 3.372 1.00 0.00 N ATOM 228 CA LYS A 19 -5.221 -7.891 2.821 1.00 0.00 C ATOM 229 C LYS A 19 -5.234 -7.487 1.346 1.00 0.00 C ATOM 230 O LYS A 19 -5.901 -8.122 0.530 1.00 0.00 O ATOM 231 CB LYS A 19 -4.698 -9.308 3.066 1.00 0.00 C ATOM 232 CG LYS A 19 -3.792 -9.763 1.920 1.00 0.00 C ATOM 233 CD LYS A 19 -3.110 -11.091 2.255 1.00 0.00 C ATOM 234 CE LYS A 19 -2.342 -11.633 1.048 1.00 0.00 C ATOM 235 NZ LYS A 19 -2.346 -13.113 1.052 1.00 0.00 N ATOM 0 H LYS A 19 -7.222 -8.456 3.080 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.522 -7.226 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.146 -9.338 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.537 -9.997 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.379 -9.872 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.037 -9.002 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.427 -10.952 3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.858 -11.818 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.794 -11.265 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.316 -11.266 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.820 -13.464 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.894 -13.459 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.326 -13.458 1.010 1.00 0.00 H new ATOM 249 N ILE A 20 -4.489 -6.432 1.048 1.00 0.00 N ATOM 250 CA ILE A 20 -4.406 -5.936 -0.315 1.00 0.00 C ATOM 251 C ILE A 20 -3.524 -6.873 -1.142 1.00 0.00 C ATOM 252 O ILE A 20 -2.304 -6.719 -1.170 1.00 0.00 O ATOM 253 CB ILE A 20 -3.937 -4.479 -0.327 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.741 -3.636 0.665 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.985 -3.900 -1.742 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.337 -2.163 0.585 1.00 0.00 C ATOM 0 H ILE A 20 -3.938 -5.907 1.727 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.392 -5.933 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.897 -4.452 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.806 -3.737 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.580 -4.007 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.647 -2.864 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.335 -4.482 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.007 -3.941 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.923 -1.586 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.277 -2.063 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.522 -1.789 -0.422 1.00 0.00 H new ATOM 268 N SER A 21 -4.175 -7.823 -1.796 1.00 0.00 N ATOM 269 CA SER A 21 -3.464 -8.785 -2.621 1.00 0.00 C ATOM 270 C SER A 21 -3.164 -8.177 -3.993 1.00 0.00 C ATOM 271 O SER A 21 -2.055 -8.314 -4.507 1.00 0.00 O ATOM 272 CB SER A 21 -4.269 -10.077 -2.778 1.00 0.00 C ATOM 273 OG SER A 21 -4.961 -10.127 -4.023 1.00 0.00 O ATOM 0 H SER A 21 -5.187 -7.947 -1.772 1.00 0.00 H new ATOM 0 HA SER A 21 -2.525 -9.032 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.599 -10.933 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.986 -10.159 -1.961 1.00 0.00 H new ATOM 0 HG SER A 21 -5.461 -10.967 -4.086 1.00 0.00 H new ATOM 279 N ASN A 22 -4.172 -7.519 -4.546 1.00 0.00 N ATOM 280 CA ASN A 22 -4.030 -6.890 -5.848 1.00 0.00 C ATOM 281 C ASN A 22 -3.757 -5.396 -5.661 1.00 0.00 C ATOM 282 O ASN A 22 -4.573 -4.680 -5.082 1.00 0.00 O ATOM 283 CB ASN A 22 -5.310 -7.036 -6.674 1.00 0.00 C ATOM 284 CG ASN A 22 -5.032 -7.762 -7.992 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.978 -8.339 -8.202 1.00 0.00 O ATOM 286 ND2 ASN A 22 -6.033 -7.700 -8.865 1.00 0.00 N ATOM 0 H ASN A 22 -5.090 -7.408 -4.116 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.207 -7.378 -6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.056 -7.587 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.729 -6.051 -6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.945 -8.153 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.889 -7.200 -8.625 1.00 0.00 H new ATOM 293 N TYR A 23 -2.606 -4.970 -6.160 1.00 0.00 N ATOM 294 CA TYR A 23 -2.215 -3.575 -6.055 1.00 0.00 C ATOM 295 C TYR A 23 -1.342 -3.159 -7.240 1.00 0.00 C ATOM 296 O TYR A 23 -0.390 -3.856 -7.590 1.00 0.00 O ATOM 297 CB TYR A 23 -1.395 -3.462 -4.768 1.00 0.00 C ATOM 298 CG TYR A 23 -0.193 -4.407 -4.712 1.00 0.00 C ATOM 299 CD1 TYR A 23 0.953 -4.109 -5.421 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.255 -5.558 -3.953 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.084 -4.998 -5.369 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.877 -6.447 -3.900 1.00 0.00 C ATOM 303 CZ TYR A 23 1.990 -6.124 -4.611 1.00 0.00 C ATOM 304 OH TYR A 23 3.059 -6.963 -4.561 1.00 0.00 O ATOM 0 H TYR A 23 -1.931 -5.567 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.094 -2.930 -6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.043 -2.436 -4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.044 -3.665 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.001 -3.208 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.152 -5.792 -3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.987 -4.776 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.842 -7.350 -3.309 1.00 0.00 H new ATOM 0 HH TYR A 23 2.850 -7.725 -3.981 1.00 0.00 H new ATOM 314 N GLY A 24 -1.697 -2.025 -7.827 1.00 0.00 N ATOM 315 CA GLY A 24 -0.957 -1.508 -8.966 1.00 0.00 C ATOM 316 C GLY A 24 0.290 -0.747 -8.510 1.00 0.00 C ATOM 317 O GLY A 24 0.224 0.064 -7.588 1.00 0.00 O ATOM 0 H GLY A 24 -2.487 -1.450 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.667 -2.331 -9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.597 -0.847 -9.551 1.00 0.00 H new ATOM 321 N TRP A 25 1.397 -1.036 -9.178 1.00 0.00 N ATOM 322 CA TRP A 25 2.657 -0.389 -8.854 1.00 0.00 C ATOM 323 C TRP A 25 3.359 -0.037 -10.167 1.00 0.00 C ATOM 324 O TRP A 25 3.170 -0.713 -11.177 1.00 0.00 O ATOM 325 CB TRP A 25 3.507 -1.272 -7.939 1.00 0.00 C ATOM 326 CG TRP A 25 4.080 -2.512 -8.628 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.485 -3.698 -8.821 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.393 -2.643 -9.212 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.315 -4.579 -9.484 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.513 -3.917 -9.729 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.446 -1.715 -9.300 1.00 0.00 C ATOM 332 CZ2 TRP A 25 6.668 -4.379 -10.370 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.594 -2.192 -9.943 1.00 0.00 C ATOM 334 CH2 TRP A 25 7.730 -3.471 -10.469 1.00 0.00 C ATOM 0 H TRP A 25 1.448 -1.710 -9.942 1.00 0.00 H new ATOM 0 HA TRP A 25 2.486 0.530 -8.294 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.329 -0.678 -7.540 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.900 -1.588 -7.090 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.482 -3.934 -8.498 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.091 -5.539 -9.746 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.374 -0.713 -8.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.737 -5.381 -10.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.433 -1.519 -10.037 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.651 -3.764 -10.952 1.00 0.00 H new ATOM 345 N ASP A 26 4.155 1.021 -10.110 1.00 0.00 N ATOM 346 CA ASP A 26 4.887 1.471 -11.281 1.00 0.00 C ATOM 347 C ASP A 26 6.215 2.090 -10.841 1.00 0.00 C ATOM 348 O ASP A 26 6.288 2.736 -9.797 1.00 0.00 O ATOM 349 CB ASP A 26 4.100 2.537 -12.047 1.00 0.00 C ATOM 350 CG ASP A 26 2.599 2.266 -12.174 1.00 0.00 C ATOM 351 OD1 ASP A 26 1.991 1.940 -11.131 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.094 2.391 -13.310 1.00 0.00 O ATOM 0 H ASP A 26 4.309 1.580 -9.270 1.00 0.00 H new ATOM 0 HA ASP A 26 5.051 0.609 -11.928 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.240 3.497 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.523 2.631 -13.047 1.00 0.00 H new ATOM 357 N GLN A 27 7.234 1.870 -11.660 1.00 0.00 N ATOM 358 CA GLN A 27 8.556 2.398 -11.369 1.00 0.00 C ATOM 359 C GLN A 27 9.087 3.190 -12.565 1.00 0.00 C ATOM 360 O GLN A 27 8.826 2.835 -13.714 1.00 0.00 O ATOM 361 CB GLN A 27 9.521 1.275 -10.982 1.00 0.00 C ATOM 362 CG GLN A 27 9.839 0.386 -12.185 1.00 0.00 C ATOM 363 CD GLN A 27 8.820 -0.748 -12.313 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.659 -0.617 -11.962 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.317 -1.866 -12.835 1.00 0.00 N ATOM 0 H GLN A 27 7.170 1.333 -12.525 1.00 0.00 H new ATOM 0 HA GLN A 27 8.477 3.074 -10.518 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.443 1.703 -10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.083 0.673 -10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.838 0.986 -13.095 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.841 -0.031 -12.079 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.299 -1.909 -13.108 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.716 -2.680 -12.962 1.00 0.00 H new ATOM 374 N SER A 28 9.822 4.247 -12.255 1.00 0.00 N ATOM 375 CA SER A 28 10.393 5.092 -13.290 1.00 0.00 C ATOM 376 C SER A 28 11.809 5.517 -12.898 1.00 0.00 C ATOM 377 O SER A 28 12.123 5.625 -11.714 1.00 0.00 O ATOM 378 CB SER A 28 9.519 6.323 -13.540 1.00 0.00 C ATOM 379 OG SER A 28 8.185 5.968 -13.894 1.00 0.00 O ATOM 0 H SER A 28 10.036 4.538 -11.301 1.00 0.00 H new ATOM 0 HA SER A 28 10.437 4.517 -14.215 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.503 6.944 -12.645 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.958 6.923 -14.337 1.00 0.00 H new ATOM 0 HG SER A 28 7.659 6.781 -14.044 1.00 0.00 H new ATOM 385 N ASP A 29 12.627 5.746 -13.915 1.00 0.00 N ATOM 386 CA ASP A 29 14.003 6.157 -13.691 1.00 0.00 C ATOM 387 C ASP A 29 14.017 7.501 -12.961 1.00 0.00 C ATOM 388 O ASP A 29 14.198 8.547 -13.582 1.00 0.00 O ATOM 389 CB ASP A 29 14.748 6.330 -15.016 1.00 0.00 C ATOM 390 CG ASP A 29 14.506 5.223 -16.044 1.00 0.00 C ATOM 391 OD1 ASP A 29 13.317 4.934 -16.297 1.00 0.00 O ATOM 392 OD2 ASP A 29 15.516 4.692 -16.553 1.00 0.00 O ATOM 0 H ASP A 29 12.363 5.655 -14.896 1.00 0.00 H new ATOM 0 HA ASP A 29 14.494 5.384 -13.099 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.458 7.284 -15.457 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.817 6.386 -14.810 1.00 0.00 H new ATOM 397 N LYS A 30 13.822 7.430 -11.652 1.00 0.00 N ATOM 398 CA LYS A 30 13.811 8.629 -10.831 1.00 0.00 C ATOM 399 C LYS A 30 13.287 8.281 -9.436 1.00 0.00 C ATOM 400 O LYS A 30 13.958 8.532 -8.437 1.00 0.00 O ATOM 401 CB LYS A 30 13.024 9.744 -11.523 1.00 0.00 C ATOM 402 CG LYS A 30 13.967 10.737 -12.206 1.00 0.00 C ATOM 403 CD LYS A 30 14.038 12.051 -11.426 1.00 0.00 C ATOM 404 CE LYS A 30 13.140 13.115 -12.061 1.00 0.00 C ATOM 405 NZ LYS A 30 13.135 14.346 -11.240 1.00 0.00 N ATOM 0 H LYS A 30 13.670 6.561 -11.140 1.00 0.00 H new ATOM 0 HA LYS A 30 14.823 9.015 -10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.348 9.313 -12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.407 10.267 -10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.964 10.302 -12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.623 10.931 -13.222 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.733 11.882 -10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.068 12.407 -11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.492 13.343 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.124 12.731 -12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.521 15.058 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.778 14.127 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.103 14.720 -11.169 1.00 0.00 H new ATOM 419 N PHE A 31 12.093 7.707 -9.413 1.00 0.00 N ATOM 420 CA PHE A 31 11.471 7.323 -8.158 1.00 0.00 C ATOM 421 C PHE A 31 10.472 6.183 -8.367 1.00 0.00 C ATOM 422 O PHE A 31 10.127 5.855 -9.502 1.00 0.00 O ATOM 423 CB PHE A 31 10.724 8.550 -7.633 1.00 0.00 C ATOM 424 CG PHE A 31 11.575 9.820 -7.578 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.643 9.887 -6.738 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.265 10.883 -8.368 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.434 11.065 -6.687 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.055 12.061 -8.317 1.00 0.00 C ATOM 429 CZ PHE A 31 13.123 12.128 -7.477 1.00 0.00 C ATOM 0 H PHE A 31 11.540 7.499 -10.244 1.00 0.00 H new ATOM 0 HA PHE A 31 12.232 6.980 -7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.857 8.733 -8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.348 8.333 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.889 9.044 -6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.417 10.831 -9.035 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.283 11.117 -6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.808 12.904 -8.945 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.724 13.025 -7.437 1.00 0.00 H new ATOM 439 N VAL A 32 10.034 5.611 -7.255 1.00 0.00 N ATOM 440 CA VAL A 32 9.081 4.515 -7.303 1.00 0.00 C ATOM 441 C VAL A 32 7.776 4.950 -6.633 1.00 0.00 C ATOM 442 O VAL A 32 7.797 5.599 -5.588 1.00 0.00 O ATOM 443 CB VAL A 32 9.691 3.263 -6.667 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.638 2.165 -6.500 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.884 2.760 -7.482 1.00 0.00 C ATOM 0 H VAL A 32 10.321 5.886 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 32 8.846 4.258 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 32 10.053 3.533 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.097 1.287 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.834 2.526 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.232 1.899 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.299 1.870 -7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.557 2.515 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.648 3.537 -7.527 1.00 0.00 H new ATOM 455 N LYS A 33 6.672 4.575 -7.262 1.00 0.00 N ATOM 456 CA LYS A 33 5.360 4.919 -6.740 1.00 0.00 C ATOM 457 C LYS A 33 4.405 3.744 -6.960 1.00 0.00 C ATOM 458 O LYS A 33 4.547 2.996 -7.926 1.00 0.00 O ATOM 459 CB LYS A 33 4.869 6.233 -7.350 1.00 0.00 C ATOM 460 CG LYS A 33 3.373 6.430 -7.095 1.00 0.00 C ATOM 461 CD LYS A 33 3.026 7.917 -6.987 1.00 0.00 C ATOM 462 CE LYS A 33 2.598 8.479 -8.344 1.00 0.00 C ATOM 463 NZ LYS A 33 2.579 9.959 -8.309 1.00 0.00 N ATOM 0 H LYS A 33 6.659 4.036 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 33 5.411 5.093 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.427 7.067 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.062 6.235 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.800 5.977 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.087 5.918 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.224 8.055 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.889 8.470 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.284 8.136 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.609 8.103 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.708 10.306 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.610 10.283 -7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.405 10.329 -8.821 1.00 0.00 H new ATOM 477 N ILE A 34 3.453 3.618 -6.047 1.00 0.00 N ATOM 478 CA ILE A 34 2.475 2.547 -6.129 1.00 0.00 C ATOM 479 C ILE A 34 1.068 3.148 -6.149 1.00 0.00 C ATOM 480 O ILE A 34 0.831 4.204 -5.565 1.00 0.00 O ATOM 481 CB ILE A 34 2.694 1.534 -5.003 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.053 0.844 -5.144 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.544 0.527 -4.940 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.057 1.401 -4.133 1.00 0.00 C ATOM 0 H ILE A 34 3.338 4.240 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 34 2.598 1.989 -7.057 1.00 0.00 H new ATOM 0 HB ILE A 34 2.702 2.073 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.937 -0.229 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.434 0.985 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.725 -0.181 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.608 1.055 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.479 -0.011 -5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.014 0.894 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.188 2.470 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.685 1.236 -3.122 1.00 0.00 H new ATOM 496 N TYR A 35 0.170 2.449 -6.828 1.00 0.00 N ATOM 497 CA TYR A 35 -1.207 2.900 -6.933 1.00 0.00 C ATOM 498 C TYR A 35 -2.182 1.763 -6.617 1.00 0.00 C ATOM 499 O TYR A 35 -2.379 0.865 -7.434 1.00 0.00 O ATOM 500 CB TYR A 35 -1.400 3.332 -8.388 1.00 0.00 C ATOM 501 CG TYR A 35 -0.196 4.064 -8.984 1.00 0.00 C ATOM 502 CD1 TYR A 35 0.987 3.387 -9.197 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.295 5.402 -9.310 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.120 4.077 -9.758 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.838 6.091 -9.872 1.00 0.00 C ATOM 506 CZ TYR A 35 1.990 5.395 -10.068 1.00 0.00 C ATOM 507 OH TYR A 35 3.059 6.046 -10.598 1.00 0.00 O ATOM 0 H TYR A 35 0.370 1.573 -7.311 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.401 3.708 -6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.612 2.451 -8.993 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.274 3.980 -8.451 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.064 2.340 -8.943 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.221 5.932 -9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.052 3.559 -9.929 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.774 7.137 -10.132 1.00 0.00 H new ATOM 0 HH TYR A 35 2.764 6.895 -10.989 1.00 0.00 H new ATOM 517 N ILE A 36 -2.766 1.840 -5.430 1.00 0.00 N ATOM 518 CA ILE A 36 -3.715 0.829 -4.997 1.00 0.00 C ATOM 519 C ILE A 36 -5.134 1.391 -5.100 1.00 0.00 C ATOM 520 O ILE A 36 -5.342 2.594 -4.951 1.00 0.00 O ATOM 521 CB ILE A 36 -3.355 0.320 -3.599 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.989 -0.370 -3.602 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.455 -0.588 -3.046 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.953 0.463 -2.844 1.00 0.00 C ATOM 0 H ILE A 36 -2.600 2.587 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.668 -0.042 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.281 1.178 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.074 -1.355 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.657 -0.523 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.174 -0.936 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.390 -0.031 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.586 -1.445 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.009 -0.049 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.853 1.439 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.276 0.594 -1.811 1.00 0.00 H new ATOM 536 N THR A 37 -6.075 0.493 -5.354 1.00 0.00 N ATOM 537 CA THR A 37 -7.469 0.884 -5.479 1.00 0.00 C ATOM 538 C THR A 37 -8.195 0.701 -4.145 1.00 0.00 C ATOM 539 O THR A 37 -8.549 -0.418 -3.775 1.00 0.00 O ATOM 540 CB THR A 37 -8.085 0.076 -6.622 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.634 0.741 -7.799 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.609 0.211 -6.680 1.00 0.00 C ATOM 0 H THR A 37 -5.899 -0.504 -5.477 1.00 0.00 H new ATOM 0 HA THR A 37 -7.564 1.942 -5.722 1.00 0.00 H new ATOM 0 HB THR A 37 -7.817 -0.975 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.986 0.281 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.996 -0.382 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.042 -0.146 -5.746 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.876 1.257 -6.827 1.00 0.00 H new ATOM 550 N LEU A 38 -8.396 1.816 -3.459 1.00 0.00 N ATOM 551 CA LEU A 38 -9.074 1.793 -2.174 1.00 0.00 C ATOM 552 C LEU A 38 -10.101 2.926 -2.123 1.00 0.00 C ATOM 553 O LEU A 38 -9.742 4.084 -1.913 1.00 0.00 O ATOM 554 CB LEU A 38 -8.058 1.832 -1.031 1.00 0.00 C ATOM 555 CG LEU A 38 -8.337 0.896 0.147 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.842 0.706 0.351 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.609 -0.438 -0.028 1.00 0.00 C ATOM 0 H LEU A 38 -8.101 2.742 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.623 0.859 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.075 1.590 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.005 2.853 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.945 1.360 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.013 0.037 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.306 1.671 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.280 0.275 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.824 -1.084 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.948 -0.920 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.535 -0.261 -0.087 1.00 0.00 H new ATOM 569 N THR A 39 -11.357 2.553 -2.319 1.00 0.00 N ATOM 570 CA THR A 39 -12.438 3.524 -2.298 1.00 0.00 C ATOM 571 C THR A 39 -12.763 3.930 -0.859 1.00 0.00 C ATOM 572 O THR A 39 -13.157 3.093 -0.049 1.00 0.00 O ATOM 573 CB THR A 39 -13.630 2.921 -3.043 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.482 3.396 -4.379 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.966 3.509 -2.585 1.00 0.00 C ATOM 0 H THR A 39 -11.650 1.592 -2.493 1.00 0.00 H new ATOM 0 HA THR A 39 -12.152 4.445 -2.805 1.00 0.00 H new ATOM 0 HB THR A 39 -13.640 1.841 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.214 3.051 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.778 3.046 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.103 3.316 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.970 4.585 -2.762 1.00 0.00 H new ATOM 583 N GLY A 40 -12.586 5.214 -0.586 1.00 0.00 N ATOM 584 CA GLY A 40 -12.855 5.741 0.741 1.00 0.00 C ATOM 585 C GLY A 40 -11.566 6.217 1.414 1.00 0.00 C ATOM 586 O GLY A 40 -11.603 7.062 2.307 1.00 0.00 O ATOM 0 H GLY A 40 -12.259 5.905 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.560 6.569 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.326 4.972 1.353 1.00 0.00 H new ATOM 590 N VAL A 41 -10.456 5.654 0.960 1.00 0.00 N ATOM 591 CA VAL A 41 -9.158 6.011 1.507 1.00 0.00 C ATOM 592 C VAL A 41 -8.955 7.522 1.383 1.00 0.00 C ATOM 593 O VAL A 41 -8.209 8.117 2.159 1.00 0.00 O ATOM 594 CB VAL A 41 -8.059 5.202 0.815 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.870 5.658 -0.632 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.744 5.287 1.593 1.00 0.00 C ATOM 0 H VAL A 41 -10.429 4.953 0.219 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.109 5.762 2.567 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.372 4.158 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.083 5.067 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.802 5.522 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.590 6.711 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.979 4.704 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.425 6.327 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.890 4.891 2.598 1.00 0.00 H new ATOM 606 N HIS A 42 -9.632 8.100 0.402 1.00 0.00 N ATOM 607 CA HIS A 42 -9.536 9.530 0.167 1.00 0.00 C ATOM 608 C HIS A 42 -10.531 10.267 1.067 1.00 0.00 C ATOM 609 O HIS A 42 -10.659 11.487 0.988 1.00 0.00 O ATOM 610 CB HIS A 42 -9.728 9.852 -1.316 1.00 0.00 C ATOM 611 CG HIS A 42 -11.168 9.820 -1.770 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.850 8.641 -2.018 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.047 10.833 -2.017 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.083 8.943 -2.397 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.203 10.302 -2.397 1.00 0.00 N ATOM 0 H HIS A 42 -10.250 7.603 -0.240 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.536 9.878 0.428 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.316 10.840 -1.519 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.155 9.139 -1.909 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.838 11.888 -1.920 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.857 8.237 -2.660 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.043 10.824 -2.648 1.00 0.00 H new ATOM 623 N GLN A 43 -11.209 9.493 1.902 1.00 0.00 N ATOM 624 CA GLN A 43 -12.188 10.056 2.815 1.00 0.00 C ATOM 625 C GLN A 43 -11.732 9.869 4.264 1.00 0.00 C ATOM 626 O GLN A 43 -11.997 10.716 5.116 1.00 0.00 O ATOM 627 CB GLN A 43 -13.569 9.435 2.591 1.00 0.00 C ATOM 628 CG GLN A 43 -14.150 9.864 1.242 1.00 0.00 C ATOM 629 CD GLN A 43 -15.663 10.070 1.337 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.369 9.359 2.033 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.119 11.080 0.602 1.00 0.00 N ATOM 0 H GLN A 43 -11.099 8.481 1.965 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.270 11.124 2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.494 8.348 2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.242 9.737 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.674 10.788 0.914 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.929 9.107 0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.473 11.636 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.115 11.299 0.599 1.00 0.00 H new ATOM 640 N VAL A 44 -11.055 8.755 4.498 1.00 0.00 N ATOM 641 CA VAL A 44 -10.559 8.446 5.829 1.00 0.00 C ATOM 642 C VAL A 44 -9.496 9.473 6.223 1.00 0.00 C ATOM 643 O VAL A 44 -8.863 10.080 5.361 1.00 0.00 O ATOM 644 CB VAL A 44 -10.045 7.006 5.874 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.140 6.019 5.463 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.801 6.840 5.000 1.00 0.00 C ATOM 0 H VAL A 44 -10.838 8.055 3.789 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.363 8.513 6.562 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.763 6.784 6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.748 5.003 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.986 6.109 6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.467 6.241 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.456 5.807 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.045 7.091 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.014 7.503 5.358 1.00 0.00 H new ATOM 656 N PRO A 45 -9.328 9.641 7.563 1.00 0.00 N ATOM 657 CA PRO A 45 -8.353 10.584 8.082 1.00 0.00 C ATOM 658 C PRO A 45 -6.931 10.038 7.938 1.00 0.00 C ATOM 659 O PRO A 45 -6.742 8.865 7.616 1.00 0.00 O ATOM 660 CB PRO A 45 -8.758 10.811 9.530 1.00 0.00 C ATOM 661 CG PRO A 45 -9.656 9.642 9.899 1.00 0.00 C ATOM 662 CD PRO A 45 -10.060 8.940 8.614 1.00 0.00 C ATOM 0 HA PRO A 45 -8.344 11.525 7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.883 10.851 10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.284 11.759 9.645 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.132 8.953 10.562 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.538 9.993 10.436 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.798 7.882 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.136 8.998 8.453 1.00 0.00 H new ATOM 670 N THR A 46 -5.967 10.913 8.182 1.00 0.00 N ATOM 671 CA THR A 46 -4.568 10.533 8.083 1.00 0.00 C ATOM 672 C THR A 46 -4.158 9.689 9.291 1.00 0.00 C ATOM 673 O THR A 46 -3.051 9.155 9.333 1.00 0.00 O ATOM 674 CB THR A 46 -3.741 11.811 7.926 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.417 11.341 7.694 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.632 12.602 9.231 1.00 0.00 C ATOM 0 H THR A 46 -6.127 11.885 8.448 1.00 0.00 H new ATOM 0 HA THR A 46 -4.390 9.904 7.211 1.00 0.00 H new ATOM 0 HB THR A 46 -4.188 12.440 7.156 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.329 10.428 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.035 13.499 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.629 12.887 9.568 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.154 11.985 9.992 1.00 0.00 H new ATOM 684 N GLU A 47 -5.073 9.594 10.245 1.00 0.00 N ATOM 685 CA GLU A 47 -4.821 8.824 11.451 1.00 0.00 C ATOM 686 C GLU A 47 -5.132 7.345 11.211 1.00 0.00 C ATOM 687 O GLU A 47 -4.533 6.472 11.836 1.00 0.00 O ATOM 688 CB GLU A 47 -5.629 9.370 12.629 1.00 0.00 C ATOM 689 CG GLU A 47 -7.087 8.915 12.552 1.00 0.00 C ATOM 690 CD GLU A 47 -7.854 9.312 13.815 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.832 8.505 14.769 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.443 10.414 13.799 1.00 0.00 O ATOM 0 H GLU A 47 -5.991 10.038 10.207 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.765 8.917 11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.187 9.030 13.566 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.584 10.459 12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.564 9.359 11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.128 7.833 12.423 1.00 0.00 H new ATOM 699 N ASN A 48 -6.068 7.110 10.303 1.00 0.00 N ATOM 700 CA ASN A 48 -6.466 5.752 9.973 1.00 0.00 C ATOM 701 C ASN A 48 -5.442 5.145 9.012 1.00 0.00 C ATOM 702 O ASN A 48 -5.280 3.927 8.961 1.00 0.00 O ATOM 703 CB ASN A 48 -7.832 5.731 9.284 1.00 0.00 C ATOM 704 CG ASN A 48 -8.955 6.015 10.284 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.728 6.285 11.452 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.176 5.941 9.762 1.00 0.00 N ATOM 0 H ASN A 48 -6.562 7.837 9.786 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.521 5.181 10.900 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.853 6.475 8.487 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.993 4.759 8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.993 6.115 10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.296 5.710 8.776 1.00 0.00 H new ATOM 713 N VAL A 49 -4.779 6.022 8.273 1.00 0.00 N ATOM 714 CA VAL A 49 -3.775 5.588 7.316 1.00 0.00 C ATOM 715 C VAL A 49 -2.384 5.753 7.932 1.00 0.00 C ATOM 716 O VAL A 49 -1.933 6.873 8.164 1.00 0.00 O ATOM 717 CB VAL A 49 -3.941 6.351 6.001 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.001 5.802 4.926 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.395 6.316 5.527 1.00 0.00 C ATOM 0 H VAL A 49 -4.917 7.032 8.317 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.903 4.531 7.081 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.672 7.392 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.139 6.362 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.968 5.902 5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.225 4.750 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.486 6.866 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.702 5.282 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.035 6.776 6.281 1.00 0.00 H new ATOM 729 N GLN A 50 -1.744 4.620 8.180 1.00 0.00 N ATOM 730 CA GLN A 50 -0.413 4.625 8.764 1.00 0.00 C ATOM 731 C GLN A 50 0.562 3.856 7.871 1.00 0.00 C ATOM 732 O GLN A 50 0.462 2.636 7.744 1.00 0.00 O ATOM 733 CB GLN A 50 -0.434 4.046 10.180 1.00 0.00 C ATOM 734 CG GLN A 50 -1.006 5.055 11.178 1.00 0.00 C ATOM 735 CD GLN A 50 -0.316 4.933 12.538 1.00 0.00 C ATOM 736 OE1 GLN A 50 -0.692 4.140 13.385 1.00 0.00 O ATOM 737 NE2 GLN A 50 0.711 5.762 12.699 1.00 0.00 N ATOM 0 H GLN A 50 -2.122 3.692 7.987 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.072 5.658 8.834 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.033 3.135 10.195 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.577 3.768 10.478 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.879 6.066 10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.077 4.890 11.294 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.973 6.401 11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.237 5.759 13.573 1.00 0.00 H new ATOM 746 N VAL A 51 1.482 4.600 7.276 1.00 0.00 N ATOM 747 CA VAL A 51 2.475 4.003 6.398 1.00 0.00 C ATOM 748 C VAL A 51 3.873 4.411 6.865 1.00 0.00 C ATOM 749 O VAL A 51 4.097 5.564 7.231 1.00 0.00 O ATOM 750 CB VAL A 51 2.191 4.392 4.946 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.663 5.825 4.856 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.437 4.211 4.077 1.00 0.00 C ATOM 0 H VAL A 51 1.561 5.611 7.384 1.00 0.00 H new ATOM 0 HA VAL A 51 2.422 2.915 6.444 1.00 0.00 H new ATOM 0 HB VAL A 51 1.417 3.725 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.469 6.077 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.739 5.909 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.405 6.512 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.208 4.494 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.240 4.842 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.751 3.168 4.104 1.00 0.00 H new ATOM 762 N HIS A 52 4.778 3.444 6.836 1.00 0.00 N ATOM 763 CA HIS A 52 6.149 3.688 7.251 1.00 0.00 C ATOM 764 C HIS A 52 7.105 3.293 6.124 1.00 0.00 C ATOM 765 O HIS A 52 6.944 2.239 5.510 1.00 0.00 O ATOM 766 CB HIS A 52 6.454 2.970 8.567 1.00 0.00 C ATOM 767 CG HIS A 52 7.898 3.070 9.000 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.813 4.066 8.828 1.00 0.00 N flip ATOM 769 CD2 HIS A 52 8.542 2.063 9.696 1.00 0.00 C flip ATOM 770 CE1 HIS A 52 9.955 3.689 9.390 1.00 0.00 C flip ATOM 771 NE2 HIS A 52 9.789 2.447 9.929 1.00 0.00 N flip ATOM 0 H HIS A 52 4.589 2.489 6.531 1.00 0.00 H new ATOM 0 HA HIS A 52 6.291 4.751 7.444 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.821 3.385 9.351 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.188 1.918 8.465 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.103 1.124 9.998 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.865 4.270 9.416 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.500 1.908 10.424 1.00 0.00 H new ATOM 779 N PHE A 53 8.079 4.159 5.885 1.00 0.00 N ATOM 780 CA PHE A 53 9.060 3.913 4.843 1.00 0.00 C ATOM 781 C PHE A 53 10.409 3.510 5.443 1.00 0.00 C ATOM 782 O PHE A 53 10.857 4.102 6.424 1.00 0.00 O ATOM 783 CB PHE A 53 9.230 5.223 4.071 1.00 0.00 C ATOM 784 CG PHE A 53 7.961 5.695 3.359 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.183 4.801 2.691 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.610 7.009 3.395 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.005 5.240 2.031 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.431 7.447 2.735 1.00 0.00 C ATOM 789 CZ PHE A 53 5.654 6.553 2.066 1.00 0.00 C ATOM 0 H PHE A 53 8.209 5.032 6.396 1.00 0.00 H new ATOM 0 HA PHE A 53 8.722 3.101 4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.557 6.000 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.023 5.098 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.461 3.758 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.228 7.719 3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.387 4.530 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.151 8.490 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.758 6.886 1.563 1.00 0.00 H new ATOM 799 N THR A 54 11.018 2.507 4.829 1.00 0.00 N ATOM 800 CA THR A 54 12.306 2.018 5.291 1.00 0.00 C ATOM 801 C THR A 54 13.346 2.118 4.174 1.00 0.00 C ATOM 802 O THR A 54 13.117 2.783 3.165 1.00 0.00 O ATOM 803 CB THR A 54 12.111 0.594 5.815 1.00 0.00 C ATOM 804 OG1 THR A 54 11.318 -0.039 4.814 1.00 0.00 O ATOM 805 CG2 THR A 54 11.236 0.545 7.069 1.00 0.00 C ATOM 0 H THR A 54 10.644 2.019 4.015 1.00 0.00 H new ATOM 0 HA THR A 54 12.692 2.629 6.107 1.00 0.00 H new ATOM 0 HB THR A 54 13.083 0.152 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.405 0.450 3.969 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.130 -0.489 7.399 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.701 1.132 7.861 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.252 0.956 6.843 1.00 0.00 H new ATOM 813 N GLU A 55 14.467 1.446 4.391 1.00 0.00 N ATOM 814 CA GLU A 55 15.543 1.450 3.414 1.00 0.00 C ATOM 815 C GLU A 55 15.227 0.483 2.272 1.00 0.00 C ATOM 816 O GLU A 55 15.545 0.758 1.115 1.00 0.00 O ATOM 817 CB GLU A 55 16.881 1.105 4.071 1.00 0.00 C ATOM 818 CG GLU A 55 17.360 -0.284 3.642 1.00 0.00 C ATOM 819 CD GLU A 55 18.546 -0.742 4.494 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.646 -0.191 4.277 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.325 -1.634 5.341 1.00 0.00 O ATOM 0 H GLU A 55 14.654 0.895 5.229 1.00 0.00 H new ATOM 0 HA GLU A 55 15.628 2.455 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.627 1.851 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.777 1.139 5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.543 -0.999 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.648 -0.265 2.591 1.00 0.00 H new ATOM 828 N ARG A 56 14.606 -0.629 2.635 1.00 0.00 N ATOM 829 CA ARG A 56 14.243 -1.638 1.655 1.00 0.00 C ATOM 830 C ARG A 56 12.902 -2.277 2.021 1.00 0.00 C ATOM 831 O ARG A 56 12.806 -3.497 2.149 1.00 0.00 O ATOM 832 CB ARG A 56 15.313 -2.729 1.566 1.00 0.00 C ATOM 833 CG ARG A 56 16.598 -2.187 0.937 1.00 0.00 C ATOM 834 CD ARG A 56 16.639 -2.478 -0.565 1.00 0.00 C ATOM 835 NE ARG A 56 17.210 -3.822 -0.804 1.00 0.00 N ATOM 836 CZ ARG A 56 18.510 -4.119 -0.675 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.381 -3.170 -0.307 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.939 -5.366 -0.913 1.00 0.00 N ATOM 0 H ARG A 56 14.345 -0.854 3.595 1.00 0.00 H new ATOM 0 HA ARG A 56 14.161 -1.145 0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.527 -3.116 2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.938 -3.564 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.664 -1.112 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.463 -2.639 1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.634 -2.421 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.239 -1.723 -1.074 1.00 0.00 H new ATOM 0 HE ARG A 56 16.574 -4.569 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.054 -2.221 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.371 -3.396 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.276 -6.089 -1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.929 -5.592 -0.815 1.00 0.00 H new ATOM 852 N SER A 57 11.901 -1.424 2.180 1.00 0.00 N ATOM 853 CA SER A 57 10.570 -1.890 2.530 1.00 0.00 C ATOM 854 C SER A 57 9.647 -0.696 2.785 1.00 0.00 C ATOM 855 O SER A 57 10.101 0.446 2.820 1.00 0.00 O ATOM 856 CB SER A 57 10.610 -2.801 3.758 1.00 0.00 C ATOM 857 OG SER A 57 10.182 -2.126 4.938 1.00 0.00 O ATOM 0 H SER A 57 11.985 -0.413 2.073 1.00 0.00 H new ATOM 0 HA SER A 57 10.181 -2.470 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.974 -3.669 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.625 -3.173 3.901 1.00 0.00 H new ATOM 0 HG SER A 57 10.718 -1.316 5.064 1.00 0.00 H new ATOM 863 N PHE A 58 8.369 -1.002 2.955 1.00 0.00 N ATOM 864 CA PHE A 58 7.380 0.031 3.206 1.00 0.00 C ATOM 865 C PHE A 58 6.031 -0.582 3.588 1.00 0.00 C ATOM 866 O PHE A 58 5.510 -1.438 2.875 1.00 0.00 O ATOM 867 CB PHE A 58 7.217 0.819 1.904 1.00 0.00 C ATOM 868 CG PHE A 58 5.958 0.460 1.112 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.729 0.702 1.642 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.069 -0.102 -0.121 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.561 0.369 0.907 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.900 -0.435 -0.857 1.00 0.00 C ATOM 873 CZ PHE A 58 3.671 -0.193 -0.327 1.00 0.00 C ATOM 0 H PHE A 58 7.996 -1.951 2.924 1.00 0.00 H new ATOM 0 HA PHE A 58 7.707 0.666 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.196 1.884 2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.091 0.647 1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.642 1.147 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.045 -0.295 -0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.585 0.562 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.987 -0.880 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.782 -0.447 -0.886 1.00 0.00 H new ATOM 883 N ASP A 59 5.505 -0.120 4.713 1.00 0.00 N ATOM 884 CA ASP A 59 4.227 -0.613 5.199 1.00 0.00 C ATOM 885 C ASP A 59 3.171 0.483 5.043 1.00 0.00 C ATOM 886 O ASP A 59 3.484 1.669 5.132 1.00 0.00 O ATOM 887 CB ASP A 59 4.308 -0.984 6.681 1.00 0.00 C ATOM 888 CG ASP A 59 5.057 0.020 7.560 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.306 -0.008 7.517 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.363 0.794 8.255 1.00 0.00 O ATOM 0 H ASP A 59 5.940 0.590 5.302 1.00 0.00 H new ATOM 0 HA ASP A 59 3.964 -1.498 4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.295 -1.097 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.794 -1.956 6.771 1.00 0.00 H new ATOM 895 N LEU A 60 1.941 0.046 4.814 1.00 0.00 N ATOM 896 CA LEU A 60 0.837 0.975 4.645 1.00 0.00 C ATOM 897 C LEU A 60 -0.416 0.397 5.307 1.00 0.00 C ATOM 898 O LEU A 60 -0.935 -0.630 4.871 1.00 0.00 O ATOM 899 CB LEU A 60 0.647 1.318 3.166 1.00 0.00 C ATOM 900 CG LEU A 60 -0.294 2.486 2.864 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.081 2.237 1.576 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.214 2.771 4.053 1.00 0.00 C ATOM 0 H LEU A 60 1.685 -0.939 4.742 1.00 0.00 H new ATOM 0 HA LEU A 60 1.055 1.920 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.623 1.544 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.271 0.433 2.653 1.00 0.00 H new ATOM 0 HG LEU A 60 0.310 3.379 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.742 3.082 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.388 2.122 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.674 1.329 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.872 3.606 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.813 1.887 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.612 3.024 4.926 1.00 0.00 H new ATOM 914 N LEU A 61 -0.865 1.081 6.349 1.00 0.00 N ATOM 915 CA LEU A 61 -2.046 0.649 7.076 1.00 0.00 C ATOM 916 C LEU A 61 -3.243 1.501 6.648 1.00 0.00 C ATOM 917 O LEU A 61 -3.086 2.674 6.314 1.00 0.00 O ATOM 918 CB LEU A 61 -1.785 0.668 8.583 1.00 0.00 C ATOM 919 CG LEU A 61 -1.952 -0.669 9.310 1.00 0.00 C ATOM 920 CD1 LEU A 61 -1.750 -0.502 10.817 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.302 -1.308 8.979 1.00 0.00 C ATOM 0 H LEU A 61 -0.432 1.932 6.707 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.287 -0.386 6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.769 1.026 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.458 1.394 9.039 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.178 -1.350 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.874 -1.466 11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.747 -0.122 11.010 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.485 0.202 11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.395 -2.256 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.106 -0.640 9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.368 -1.484 7.905 1.00 0.00 H new ATOM 933 N VAL A 62 -4.412 0.877 6.673 1.00 0.00 N ATOM 934 CA VAL A 62 -5.634 1.564 6.293 1.00 0.00 C ATOM 935 C VAL A 62 -6.798 1.024 7.126 1.00 0.00 C ATOM 936 O VAL A 62 -7.321 -0.053 6.844 1.00 0.00 O ATOM 937 CB VAL A 62 -5.864 1.427 4.786 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.193 2.063 4.374 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.700 2.029 3.997 1.00 0.00 C ATOM 0 H VAL A 62 -4.538 -0.096 6.950 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.553 2.631 6.501 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.914 0.364 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.332 1.952 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.011 1.569 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.185 3.122 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.889 1.918 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.604 3.087 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.777 1.511 4.258 1.00 0.00 H new ATOM 949 N LYS A 63 -7.169 1.797 8.136 1.00 0.00 N ATOM 950 CA LYS A 63 -8.261 1.410 9.013 1.00 0.00 C ATOM 951 C LYS A 63 -9.505 2.230 8.664 1.00 0.00 C ATOM 952 O LYS A 63 -9.402 3.285 8.040 1.00 0.00 O ATOM 953 CB LYS A 63 -7.839 1.527 10.479 1.00 0.00 C ATOM 954 CG LYS A 63 -7.731 0.146 11.130 1.00 0.00 C ATOM 955 CD LYS A 63 -6.455 0.034 11.967 1.00 0.00 C ATOM 956 CE LYS A 63 -5.904 -1.393 11.937 1.00 0.00 C ATOM 957 NZ LYS A 63 -6.610 -2.243 12.920 1.00 0.00 N ATOM 0 H LYS A 63 -6.733 2.690 8.367 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.517 0.361 8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.880 2.040 10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.563 2.134 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.601 -0.032 11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.734 -0.625 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.704 0.726 11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.664 0.326 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.018 -1.812 10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.837 -1.381 12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.223 -3.208 12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.480 -1.851 13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.624 -2.268 12.692 1.00 0.00 H new ATOM 971 N ASN A 64 -10.651 1.715 9.083 1.00 0.00 N ATOM 972 CA ASN A 64 -11.913 2.386 8.822 1.00 0.00 C ATOM 973 C ASN A 64 -11.929 2.890 7.378 1.00 0.00 C ATOM 974 O ASN A 64 -11.468 3.996 7.097 1.00 0.00 O ATOM 975 CB ASN A 64 -12.096 3.592 9.746 1.00 0.00 C ATOM 976 CG ASN A 64 -13.529 3.663 10.279 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.321 2.748 10.125 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.815 4.797 10.912 1.00 0.00 N ATOM 0 H ASN A 64 -10.732 0.840 9.602 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.717 1.672 8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.397 3.525 10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.860 4.508 9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.745 4.941 11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.104 5.522 11.005 1.00 0.00 H new ATOM 985 N LEU A 65 -12.465 2.056 6.499 1.00 0.00 N ATOM 986 CA LEU A 65 -12.547 2.403 5.091 1.00 0.00 C ATOM 987 C LEU A 65 -13.989 2.230 4.611 1.00 0.00 C ATOM 988 O LEU A 65 -14.922 2.714 5.249 1.00 0.00 O ATOM 989 CB LEU A 65 -11.528 1.599 4.281 1.00 0.00 C ATOM 990 CG LEU A 65 -11.158 2.171 2.911 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.842 3.520 2.677 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.640 2.263 2.746 1.00 0.00 C ATOM 0 H LEU A 65 -12.847 1.140 6.735 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.284 3.450 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.617 1.505 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.920 0.592 4.138 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.524 1.487 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.562 3.905 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.924 3.392 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.528 4.225 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.405 2.673 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.229 2.913 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.203 1.269 2.838 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.126 1.537 3.489 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.439 1.294 2.916 1.00 0.00 C ATOM 1006 C ASN A 66 -16.158 0.221 3.735 1.00 0.00 C ATOM 1007 O ASN A 66 -16.316 -0.911 3.279 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.327 0.793 1.475 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.484 1.314 0.621 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -16.370 2.593 0.277 1.00 0.00 O flip ATOM 1011 ND2 ASN A 66 -17.420 0.601 0.296 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.350 1.137 2.962 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.991 2.234 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.379 1.118 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.325 -0.297 1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.446 -0.374 0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.176 0.980 -0.274 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.573 0.613 4.931 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.272 -0.302 5.818 1.00 0.00 C ATOM 1020 C GLY A 67 -16.365 -1.462 6.233 1.00 0.00 C ATOM 1021 O GLY A 67 -16.848 -2.511 6.656 1.00 0.00 O ATOM 0 H GLY A 67 -16.439 1.552 5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.612 0.234 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.160 -0.690 5.320 1.00 0.00 H new ATOM 1025 N LYS A 68 -15.067 -1.234 6.098 1.00 0.00 N ATOM 1026 CA LYS A 68 -14.088 -2.247 6.454 1.00 0.00 C ATOM 1027 C LYS A 68 -12.706 -1.599 6.561 1.00 0.00 C ATOM 1028 O LYS A 68 -12.586 -0.375 6.539 1.00 0.00 O ATOM 1029 CB LYS A 68 -14.144 -3.416 5.469 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.664 -2.959 4.105 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.965 -3.712 2.971 1.00 0.00 C ATOM 1032 CE LYS A 68 -14.191 -5.220 3.094 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.380 -5.631 2.315 1.00 0.00 N ATOM 0 H LYS A 68 -14.670 -0.362 5.747 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.318 -2.672 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.150 -3.849 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.791 -4.199 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.740 -3.125 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.500 -1.888 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.342 -3.361 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.896 -3.498 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.312 -5.756 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.324 -5.489 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.519 -6.657 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.220 -5.133 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.238 -5.392 1.313 1.00 0.00 H new ATOM 1047 N SER A 69 -11.696 -2.450 6.675 1.00 0.00 N ATOM 1048 CA SER A 69 -10.327 -1.976 6.785 1.00 0.00 C ATOM 1049 C SER A 69 -9.417 -2.782 5.857 1.00 0.00 C ATOM 1050 O SER A 69 -9.695 -3.945 5.567 1.00 0.00 O ATOM 1051 CB SER A 69 -9.827 -2.067 8.229 1.00 0.00 C ATOM 1052 OG SER A 69 -10.075 -3.349 8.799 1.00 0.00 O ATOM 0 H SER A 69 -11.799 -3.465 6.694 1.00 0.00 H new ATOM 0 HA SER A 69 -10.303 -0.928 6.486 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.757 -1.859 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.316 -1.301 8.831 1.00 0.00 H new ATOM 0 HG SER A 69 -9.740 -3.368 9.720 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.350 -2.133 5.416 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.398 -2.776 4.526 1.00 0.00 C ATOM 1060 C TYR A 70 -5.965 -2.590 5.030 1.00 0.00 C ATOM 1061 O TYR A 70 -5.659 -1.599 5.691 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.545 -2.075 3.174 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.918 -2.256 2.525 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -10.027 -1.646 3.075 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -9.049 -3.031 1.391 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.320 -1.817 2.465 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.341 -3.202 0.780 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.414 -2.586 1.347 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.635 -2.748 0.770 1.00 0.00 O ATOM 0 H TYR A 70 -8.123 -1.168 5.658 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.592 -3.847 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.355 -1.010 3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.781 -2.454 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.925 -1.040 3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.181 -3.510 0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.196 -1.345 2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.456 -3.805 -0.108 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.550 -3.321 -0.021 1.00 0.00 H new ATOM 1079 N SER A 71 -5.125 -3.560 4.699 1.00 0.00 N ATOM 1080 CA SER A 71 -3.732 -3.516 5.109 1.00 0.00 C ATOM 1081 C SER A 71 -2.826 -3.846 3.921 1.00 0.00 C ATOM 1082 O SER A 71 -3.122 -4.750 3.142 1.00 0.00 O ATOM 1083 CB SER A 71 -3.467 -4.485 6.264 1.00 0.00 C ATOM 1084 OG SER A 71 -4.010 -5.778 6.011 1.00 0.00 O ATOM 0 H SER A 71 -5.383 -4.381 4.151 1.00 0.00 H new ATOM 0 HA SER A 71 -3.510 -2.508 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.393 -4.569 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.899 -4.083 7.181 1.00 0.00 H new ATOM 0 HG SER A 71 -4.959 -5.695 5.782 1.00 0.00 H new ATOM 1090 N MET A 72 -1.739 -3.094 3.821 1.00 0.00 N ATOM 1091 CA MET A 72 -0.788 -3.295 2.741 1.00 0.00 C ATOM 1092 C MET A 72 0.644 -3.038 3.217 1.00 0.00 C ATOM 1093 O MET A 72 0.971 -1.931 3.641 1.00 0.00 O ATOM 1094 CB MET A 72 -1.120 -2.349 1.585 1.00 0.00 C ATOM 1095 CG MET A 72 0.009 -2.328 0.553 1.00 0.00 C ATOM 1096 SD MET A 72 -0.642 -1.909 -1.055 1.00 0.00 S ATOM 1097 CE MET A 72 -0.086 -3.323 -1.993 1.00 0.00 C ATOM 0 H MET A 72 -1.496 -2.345 4.470 1.00 0.00 H new ATOM 0 HA MET A 72 -0.860 -4.330 2.407 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.048 -2.664 1.108 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.285 -1.343 1.970 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.768 -1.603 0.847 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.496 -3.302 0.515 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.270 -2.995 -2.969 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.725 -3.818 -1.459 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.913 -4.021 -2.124 1.00 0.00 H new ATOM 1107 N ILE A 73 1.458 -4.079 3.130 1.00 0.00 N ATOM 1108 CA ILE A 73 2.847 -3.980 3.546 1.00 0.00 C ATOM 1109 C ILE A 73 3.733 -4.694 2.524 1.00 0.00 C ATOM 1110 O ILE A 73 3.347 -5.725 1.975 1.00 0.00 O ATOM 1111 CB ILE A 73 3.016 -4.498 4.976 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.320 -3.576 5.979 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.494 -4.702 5.314 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.854 -3.804 7.395 1.00 0.00 C ATOM 0 H ILE A 73 1.183 -4.996 2.778 1.00 0.00 H new ATOM 0 HA ILE A 73 3.164 -2.938 3.570 1.00 0.00 H new ATOM 0 HB ILE A 73 2.533 -5.472 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.475 -2.536 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.245 -3.756 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.586 -5.070 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.928 -5.428 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.023 -3.753 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.343 -3.136 8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.676 -4.838 7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.925 -3.600 7.417 1.00 0.00 H new ATOM 1126 N VAL A 74 4.905 -4.119 2.301 1.00 0.00 N ATOM 1127 CA VAL A 74 5.850 -4.688 1.354 1.00 0.00 C ATOM 1128 C VAL A 74 7.213 -4.843 2.032 1.00 0.00 C ATOM 1129 O VAL A 74 7.780 -3.868 2.524 1.00 0.00 O ATOM 1130 CB VAL A 74 5.905 -3.829 0.089 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.573 -3.115 -0.147 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.060 -2.827 0.156 1.00 0.00 C ATOM 0 H VAL A 74 5.222 -3.265 2.759 1.00 0.00 H new ATOM 0 HA VAL A 74 5.527 -5.681 1.042 1.00 0.00 H new ATOM 0 HB VAL A 74 6.085 -4.491 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.639 -2.511 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.779 -3.854 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.350 -2.471 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.076 -2.229 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.924 -2.172 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.003 -3.365 0.254 1.00 0.00 H new ATOM 1142 N ASN A 75 7.700 -6.075 2.035 1.00 0.00 N ATOM 1143 CA ASN A 75 8.986 -6.370 2.644 1.00 0.00 C ATOM 1144 C ASN A 75 9.935 -6.923 1.578 1.00 0.00 C ATOM 1145 O ASN A 75 9.555 -7.793 0.796 1.00 0.00 O ATOM 1146 CB ASN A 75 8.846 -7.423 3.745 1.00 0.00 C ATOM 1147 CG ASN A 75 7.839 -6.975 4.806 1.00 0.00 C ATOM 1148 OD1 ASN A 75 8.078 -6.063 5.581 1.00 0.00 O ATOM 1149 ND2 ASN A 75 6.702 -7.665 4.798 1.00 0.00 N ATOM 0 H ASN A 75 7.227 -6.881 1.625 1.00 0.00 H new ATOM 0 HA ASN A 75 9.374 -5.447 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.525 -8.369 3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.816 -7.599 4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.966 -7.442 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.566 -8.417 4.122 1.00 0.00 H new ATOM 1156 N ASN A 76 11.150 -6.396 1.583 1.00 0.00 N ATOM 1157 CA ASN A 76 12.156 -6.827 0.627 1.00 0.00 C ATOM 1158 C ASN A 76 11.889 -6.159 -0.724 1.00 0.00 C ATOM 1159 O ASN A 76 11.231 -6.739 -1.587 1.00 0.00 O ATOM 1160 CB ASN A 76 12.109 -8.342 0.423 1.00 0.00 C ATOM 1161 CG ASN A 76 11.708 -9.057 1.714 1.00 0.00 C ATOM 1162 OD1 ASN A 76 11.946 -8.587 2.815 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.087 -10.217 1.520 1.00 0.00 N ATOM 0 H ASN A 76 11.461 -5.675 2.234 1.00 0.00 H new ATOM 0 HA ASN A 76 13.134 -6.546 1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.398 -8.584 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.085 -8.699 0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.779 -10.770 2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.919 -10.553 0.572 1.00 0.00 H new ATOM 1170 N LEU A 77 12.412 -4.951 -0.865 1.00 0.00 N ATOM 1171 CA LEU A 77 12.238 -4.198 -2.095 1.00 0.00 C ATOM 1172 C LEU A 77 13.447 -4.429 -3.005 1.00 0.00 C ATOM 1173 O LEU A 77 14.590 -4.335 -2.560 1.00 0.00 O ATOM 1174 CB LEU A 77 11.973 -2.723 -1.789 1.00 0.00 C ATOM 1175 CG LEU A 77 10.711 -2.423 -0.977 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.759 -1.012 -0.389 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.452 -2.651 -1.817 1.00 0.00 C ATOM 0 H LEU A 77 12.957 -4.474 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 77 11.359 -4.550 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.832 -2.324 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.911 -2.182 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 77 10.671 -3.119 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.850 -0.825 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.625 -0.920 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.836 -0.284 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.569 -2.431 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.472 -1.995 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.417 -3.690 -2.146 1.00 0.00 H new ATOM 1189 N LEU A 78 13.153 -4.728 -4.262 1.00 0.00 N ATOM 1190 CA LEU A 78 14.201 -4.974 -5.237 1.00 0.00 C ATOM 1191 C LEU A 78 15.358 -4.002 -4.992 1.00 0.00 C ATOM 1192 O LEU A 78 16.518 -4.409 -4.955 1.00 0.00 O ATOM 1193 CB LEU A 78 13.636 -4.911 -6.658 1.00 0.00 C ATOM 1194 CG LEU A 78 14.303 -5.828 -7.686 1.00 0.00 C ATOM 1195 CD1 LEU A 78 13.852 -7.278 -7.500 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.053 -5.328 -9.110 1.00 0.00 C ATOM 0 H LEU A 78 12.204 -4.805 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 78 14.600 -5.982 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.575 -5.156 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.713 -3.883 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 78 15.380 -5.802 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.340 -7.909 -8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.123 -7.618 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.771 -7.342 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.538 -5.997 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.981 -5.306 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.462 -4.324 -9.220 1.00 0.00 H new ATOM 1208 N LYS A 79 15.001 -2.736 -4.831 1.00 0.00 N ATOM 1209 CA LYS A 79 15.995 -1.704 -4.590 1.00 0.00 C ATOM 1210 C LYS A 79 15.602 -0.904 -3.346 1.00 0.00 C ATOM 1211 O LYS A 79 14.441 -0.912 -2.940 1.00 0.00 O ATOM 1212 CB LYS A 79 16.186 -0.842 -5.840 1.00 0.00 C ATOM 1213 CG LYS A 79 16.373 -1.714 -7.084 1.00 0.00 C ATOM 1214 CD LYS A 79 17.857 -1.954 -7.366 1.00 0.00 C ATOM 1215 CE LYS A 79 18.052 -3.157 -8.292 1.00 0.00 C ATOM 1216 NZ LYS A 79 17.141 -3.068 -9.455 1.00 0.00 N ATOM 0 H LYS A 79 14.038 -2.402 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 79 16.968 -2.152 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.321 -0.192 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.054 -0.195 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.867 -2.669 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.909 -1.231 -7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.292 -1.065 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.386 -2.123 -6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.086 -3.196 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.863 -4.080 -7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.661 -3.311 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.350 -3.731 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.771 -2.099 -9.533 1.00 0.00 H new ATOM 1230 N PRO A 80 16.618 -0.215 -2.762 1.00 0.00 N ATOM 1231 CA PRO A 80 16.391 0.588 -1.572 1.00 0.00 C ATOM 1232 C PRO A 80 15.663 1.888 -1.919 1.00 0.00 C ATOM 1233 O PRO A 80 15.576 2.262 -3.088 1.00 0.00 O ATOM 1234 CB PRO A 80 17.773 0.820 -0.984 1.00 0.00 C ATOM 1235 CG PRO A 80 18.757 0.537 -2.108 1.00 0.00 C ATOM 1236 CD PRO A 80 18.006 -0.183 -3.216 1.00 0.00 C ATOM 0 HA PRO A 80 15.743 0.094 -0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 80 17.877 1.843 -0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 80 17.951 0.162 -0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.188 1.466 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.583 -0.075 -1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.100 0.344 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.396 -1.189 -3.370 1.00 0.00 H new ATOM 1244 N ILE A 81 15.159 2.542 -0.883 1.00 0.00 N ATOM 1245 CA ILE A 81 14.442 3.792 -1.064 1.00 0.00 C ATOM 1246 C ILE A 81 14.742 4.722 0.114 1.00 0.00 C ATOM 1247 O ILE A 81 14.776 4.283 1.263 1.00 0.00 O ATOM 1248 CB ILE A 81 12.950 3.528 -1.274 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.404 2.580 -0.204 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.678 3.012 -2.689 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.440 3.309 0.734 1.00 0.00 C ATOM 0 H ILE A 81 15.233 2.229 0.085 1.00 0.00 H new ATOM 0 HA ILE A 81 14.783 4.299 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 81 12.418 4.474 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.891 1.745 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.230 2.161 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.610 2.832 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.007 3.754 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.223 2.082 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.067 2.613 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.962 4.129 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.603 3.706 0.159 1.00 0.00 H new ATOM 1263 N SER A 82 14.951 5.989 -0.212 1.00 0.00 N ATOM 1264 CA SER A 82 15.247 6.984 0.804 1.00 0.00 C ATOM 1265 C SER A 82 13.990 7.287 1.622 1.00 0.00 C ATOM 1266 O SER A 82 12.993 7.764 1.081 1.00 0.00 O ATOM 1267 CB SER A 82 15.793 8.268 0.176 1.00 0.00 C ATOM 1268 OG SER A 82 17.152 8.502 0.535 1.00 0.00 O ATOM 0 H SER A 82 14.921 6.349 -1.166 1.00 0.00 H new ATOM 0 HA SER A 82 16.014 6.580 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.710 8.204 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.183 9.114 0.493 1.00 0.00 H new ATOM 0 HG SER A 82 17.464 9.330 0.113 1.00 0.00 H new ATOM 1274 N VAL A 83 14.077 6.997 2.912 1.00 0.00 N ATOM 1275 CA VAL A 83 12.959 7.232 3.809 1.00 0.00 C ATOM 1276 C VAL A 83 12.721 8.738 3.937 1.00 0.00 C ATOM 1277 O VAL A 83 11.645 9.231 3.604 1.00 0.00 O ATOM 1278 CB VAL A 83 13.216 6.551 5.155 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.227 7.041 6.215 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.162 5.028 5.018 1.00 0.00 C ATOM 0 H VAL A 83 14.905 6.601 3.357 1.00 0.00 H new ATOM 0 HA VAL A 83 12.047 6.792 3.406 1.00 0.00 H new ATOM 0 HB VAL A 83 14.220 6.823 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.431 6.541 7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.334 8.118 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.210 6.813 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.348 4.569 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.177 4.730 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.922 4.699 4.309 1.00 0.00 H new ATOM 1290 N GLU A 84 13.744 9.427 4.421 1.00 0.00 N ATOM 1291 CA GLU A 84 13.660 10.867 4.597 1.00 0.00 C ATOM 1292 C GLU A 84 13.122 11.527 3.325 1.00 0.00 C ATOM 1293 O GLU A 84 12.596 12.637 3.373 1.00 0.00 O ATOM 1294 CB GLU A 84 15.019 11.452 4.985 1.00 0.00 C ATOM 1295 CG GLU A 84 15.522 10.848 6.298 1.00 0.00 C ATOM 1296 CD GLU A 84 16.850 11.480 6.720 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.863 12.719 6.882 1.00 0.00 O ATOM 1298 OE2 GLU A 84 17.822 10.709 6.870 1.00 0.00 O ATOM 0 H GLU A 84 14.635 9.015 4.697 1.00 0.00 H new ATOM 0 HA GLU A 84 12.966 11.074 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.741 11.260 4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.937 12.534 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.778 11.000 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.648 9.772 6.182 1.00 0.00 H new ATOM 1305 N GLY A 85 13.274 10.815 2.218 1.00 0.00 N ATOM 1306 CA GLY A 85 12.810 11.317 0.936 1.00 0.00 C ATOM 1307 C GLY A 85 11.459 10.703 0.563 1.00 0.00 C ATOM 1308 O GLY A 85 10.690 11.297 -0.192 1.00 0.00 O ATOM 0 H GLY A 85 13.712 9.895 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.721 12.403 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.544 11.086 0.164 1.00 0.00 H new ATOM 1312 N SER A 86 11.211 9.522 1.108 1.00 0.00 N ATOM 1313 CA SER A 86 9.967 8.820 0.842 1.00 0.00 C ATOM 1314 C SER A 86 8.779 9.674 1.291 1.00 0.00 C ATOM 1315 O SER A 86 8.916 10.521 2.172 1.00 0.00 O ATOM 1316 CB SER A 86 9.939 7.461 1.544 1.00 0.00 C ATOM 1317 OG SER A 86 10.914 6.567 1.014 1.00 0.00 O ATOM 0 H SER A 86 11.851 9.033 1.733 1.00 0.00 H new ATOM 0 HA SER A 86 9.896 8.645 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.116 7.600 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.948 7.020 1.440 1.00 0.00 H new ATOM 0 HG SER A 86 11.662 7.081 0.643 1.00 0.00 H new ATOM 1323 N SER A 87 7.639 9.420 0.665 1.00 0.00 N ATOM 1324 CA SER A 87 6.428 10.155 0.989 1.00 0.00 C ATOM 1325 C SER A 87 5.198 9.323 0.620 1.00 0.00 C ATOM 1326 O SER A 87 5.278 8.426 -0.217 1.00 0.00 O ATOM 1327 CB SER A 87 6.392 11.504 0.268 1.00 0.00 C ATOM 1328 OG SER A 87 7.686 12.095 0.176 1.00 0.00 O ATOM 0 H SER A 87 7.528 8.716 -0.065 1.00 0.00 H new ATOM 0 HA SER A 87 6.421 10.348 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.983 11.369 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.721 12.180 0.798 1.00 0.00 H new ATOM 0 HG SER A 87 7.621 12.954 -0.292 1.00 0.00 H new ATOM 1334 N LYS A 88 4.087 9.651 1.264 1.00 0.00 N ATOM 1335 CA LYS A 88 2.841 8.946 1.015 1.00 0.00 C ATOM 1336 C LYS A 88 1.800 9.932 0.481 1.00 0.00 C ATOM 1337 O LYS A 88 1.758 11.086 0.904 1.00 0.00 O ATOM 1338 CB LYS A 88 2.391 8.195 2.269 1.00 0.00 C ATOM 1339 CG LYS A 88 0.926 7.768 2.156 1.00 0.00 C ATOM 1340 CD LYS A 88 0.038 8.601 3.082 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.123 7.766 3.627 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.312 8.616 3.852 1.00 0.00 N ATOM 0 H LYS A 88 4.024 10.396 1.958 1.00 0.00 H new ATOM 0 HA LYS A 88 2.981 8.184 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.019 7.317 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.522 8.831 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.589 7.881 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.831 6.712 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.632 8.988 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.352 9.462 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.366 6.969 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.828 7.289 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.459 8.744 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.166 9.543 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.149 8.159 3.437 1.00 0.00 H new ATOM 1356 N LYS A 89 0.985 9.441 -0.441 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.053 10.264 -1.038 1.00 0.00 C ATOM 1358 C LYS A 89 -1.334 9.439 -1.179 1.00 0.00 C ATOM 1359 O LYS A 89 -1.291 8.210 -1.146 1.00 0.00 O ATOM 1360 CB LYS A 89 0.436 10.872 -2.354 1.00 0.00 C ATOM 1361 CG LYS A 89 0.989 12.282 -2.135 1.00 0.00 C ATOM 1362 CD LYS A 89 0.382 13.270 -3.134 1.00 0.00 C ATOM 1363 CE LYS A 89 0.848 12.964 -4.559 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.125 13.811 -5.533 1.00 0.00 N ATOM 0 H LYS A 89 1.023 8.483 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.288 11.110 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.209 10.237 -2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.385 10.907 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.772 12.608 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.074 12.272 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.706 13.221 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.667 14.287 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.921 13.138 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.677 11.912 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.453 13.591 -6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.896 13.625 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.309 14.813 -5.325 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.442 10.148 -1.334 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.733 9.496 -1.481 1.00 0.00 C ATOM 1380 C VAL A 90 -4.507 10.159 -2.622 1.00 0.00 C ATOM 1381 O VAL A 90 -4.610 11.384 -2.678 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.487 9.525 -0.150 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.899 8.957 -0.308 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.713 8.776 0.936 1.00 0.00 C ATOM 0 H VAL A 90 -2.473 11.167 -1.361 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.604 8.446 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.577 10.566 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.414 8.989 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.451 9.552 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.839 7.925 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.271 8.812 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.577 7.737 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.739 9.244 1.077 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.031 9.321 -3.504 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.792 9.810 -4.641 1.00 0.00 C ATOM 1396 C LYS A 91 -7.235 9.312 -4.535 1.00 0.00 C ATOM 1397 O LYS A 91 -7.552 8.497 -3.670 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.104 9.427 -5.952 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.096 8.296 -5.732 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.561 7.772 -7.066 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.748 8.847 -7.791 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.188 8.968 -9.199 1.00 0.00 N ATOM 0 H LYS A 91 -4.944 8.306 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.829 10.899 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.851 9.116 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.595 10.297 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.269 8.655 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.570 7.483 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.938 6.895 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.392 7.453 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.866 9.804 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.688 8.596 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.626 9.702 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.053 8.058 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.194 9.229 -9.227 1.00 0.00 H new ATOM 1416 N THR A 92 -8.071 9.823 -5.427 1.00 0.00 N ATOM 1417 CA THR A 92 -9.472 9.440 -5.445 1.00 0.00 C ATOM 1418 C THR A 92 -9.609 7.916 -5.463 1.00 0.00 C ATOM 1419 O THR A 92 -9.150 7.259 -6.396 1.00 0.00 O ATOM 1420 CB THR A 92 -10.134 10.123 -6.643 1.00 0.00 C ATOM 1421 OG1 THR A 92 -10.039 11.514 -6.346 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.639 9.858 -6.711 1.00 0.00 C ATOM 0 H THR A 92 -7.805 10.499 -6.143 1.00 0.00 H new ATOM 0 HA THR A 92 -9.983 9.770 -4.541 1.00 0.00 H new ATOM 0 HB THR A 92 -9.663 9.777 -7.563 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.443 12.032 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.059 10.366 -7.579 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.816 8.786 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.116 10.233 -5.806 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.241 7.398 -4.420 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.443 5.964 -4.304 1.00 0.00 C ATOM 1432 C ASP A 93 -9.142 5.240 -4.657 1.00 0.00 C ATOM 1433 O ASP A 93 -9.168 4.180 -5.281 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.529 5.482 -5.267 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.236 5.729 -6.748 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.294 5.083 -7.256 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -11.961 6.558 -7.340 1.00 0.00 O ATOM 0 H ASP A 93 -10.620 7.946 -3.648 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.747 5.748 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.680 4.413 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.466 5.976 -5.010 1.00 0.00 H new ATOM 1442 N THR A 94 -8.037 5.840 -4.242 1.00 0.00 N ATOM 1443 CA THR A 94 -6.729 5.265 -4.506 1.00 0.00 C ATOM 1444 C THR A 94 -5.695 5.816 -3.521 1.00 0.00 C ATOM 1445 O THR A 94 -5.741 6.991 -3.160 1.00 0.00 O ATOM 1446 CB THR A 94 -6.379 5.540 -5.970 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.321 4.761 -6.704 1.00 0.00 O ATOM 1448 CG2 THR A 94 -5.022 4.954 -6.367 1.00 0.00 C ATOM 0 H THR A 94 -8.020 6.719 -3.725 1.00 0.00 H new ATOM 0 HA THR A 94 -6.734 4.186 -4.354 1.00 0.00 H new ATOM 0 HB THR A 94 -6.376 6.616 -6.147 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.677 4.051 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.822 5.177 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.241 5.393 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.036 3.874 -6.222 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.788 4.940 -3.114 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.745 5.324 -2.178 1.00 0.00 C ATOM 1458 C VAL A 95 -2.394 5.316 -2.896 1.00 0.00 C ATOM 1459 O VAL A 95 -2.015 4.316 -3.504 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.777 4.406 -0.954 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.614 2.941 -1.363 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.711 4.813 0.064 1.00 0.00 C ATOM 0 H VAL A 95 -4.754 3.966 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.913 6.337 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.752 4.514 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.640 2.310 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.426 2.658 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.660 2.810 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.755 4.145 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.725 4.748 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.892 5.837 0.391 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.703 6.443 -2.801 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.402 6.578 -3.433 1.00 0.00 C ATOM 1474 C LEU A 96 0.694 6.338 -2.393 1.00 0.00 C ATOM 1475 O LEU A 96 0.531 6.684 -1.224 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.289 7.928 -4.144 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.392 7.894 -5.670 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.126 9.196 -6.284 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.322 6.667 -6.240 1.00 0.00 C ATOM 0 H LEU A 96 -2.020 7.271 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.276 5.823 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.071 8.584 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.666 8.379 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.445 7.808 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.041 9.145 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.465 10.034 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.171 9.338 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.234 6.667 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.375 6.697 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.134 5.762 -5.839 1.00 0.00 H new ATOM 1491 N ILE A 97 1.786 5.747 -2.855 1.00 0.00 N ATOM 1492 CA ILE A 97 2.908 5.457 -1.979 1.00 0.00 C ATOM 1493 C ILE A 97 4.211 5.851 -2.679 1.00 0.00 C ATOM 1494 O ILE A 97 4.801 5.046 -3.398 1.00 0.00 O ATOM 1495 CB ILE A 97 2.870 3.996 -1.527 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.496 3.632 -0.961 1.00 0.00 C ATOM 1497 CG2 ILE A 97 3.995 3.701 -0.533 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.263 4.309 0.391 1.00 0.00 C ATOM 0 H ILE A 97 1.918 5.461 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 97 2.844 6.051 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 97 3.036 3.364 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.718 3.935 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.420 2.551 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.946 2.656 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.958 3.896 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.884 4.341 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.279 4.034 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.028 3.985 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.315 5.391 0.270 1.00 0.00 H new ATOM 1510 N LEU A 98 4.621 7.088 -2.443 1.00 0.00 N ATOM 1511 CA LEU A 98 5.843 7.598 -3.041 1.00 0.00 C ATOM 1512 C LEU A 98 7.049 7.028 -2.292 1.00 0.00 C ATOM 1513 O LEU A 98 7.211 7.267 -1.097 1.00 0.00 O ATOM 1514 CB LEU A 98 5.817 9.127 -3.092 1.00 0.00 C ATOM 1515 CG LEU A 98 4.724 9.751 -3.962 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.209 11.054 -3.346 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.214 9.951 -5.398 1.00 0.00 C ATOM 0 H LEU A 98 4.129 7.752 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 98 5.926 7.269 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.703 9.503 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.785 9.475 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 98 3.883 9.059 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.433 11.477 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.795 10.851 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.031 11.764 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.418 10.396 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.081 10.612 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.493 8.988 -5.825 1.00 0.00 H new ATOM 1529 N CYS A 99 7.864 6.285 -3.027 1.00 0.00 N ATOM 1530 CA CYS A 99 9.050 5.679 -2.447 1.00 0.00 C ATOM 1531 C CYS A 99 10.276 6.218 -3.188 1.00 0.00 C ATOM 1532 O CYS A 99 10.527 5.844 -4.333 1.00 0.00 O ATOM 1533 CB CYS A 99 8.983 4.151 -2.490 1.00 0.00 C ATOM 1534 SG CYS A 99 8.042 3.526 -1.050 1.00 0.00 S ATOM 0 H CYS A 99 7.726 6.089 -4.018 1.00 0.00 H new ATOM 0 HA CYS A 99 9.119 5.944 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.507 3.825 -3.415 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.990 3.734 -2.486 1.00 0.00 H new ATOM 0 HG CYS A 99 7.989 2.228 -1.097 1.00 0.00 H new ATOM 1540 N ARG A 100 11.007 7.086 -2.505 1.00 0.00 N ATOM 1541 CA ARG A 100 12.200 7.680 -3.084 1.00 0.00 C ATOM 1542 C ARG A 100 13.188 6.588 -3.498 1.00 0.00 C ATOM 1543 O ARG A 100 13.251 5.532 -2.870 1.00 0.00 O ATOM 1544 CB ARG A 100 12.881 8.626 -2.093 1.00 0.00 C ATOM 1545 CG ARG A 100 12.411 10.067 -2.299 1.00 0.00 C ATOM 1546 CD ARG A 100 12.491 10.464 -3.775 1.00 0.00 C ATOM 1547 NE ARG A 100 11.151 10.376 -4.396 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.126 11.183 -4.088 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.282 12.141 -3.165 1.00 0.00 N ATOM 1550 NH2 ARG A 100 8.945 11.030 -4.703 1.00 0.00 N ATOM 0 H ARG A 100 10.796 7.393 -1.555 1.00 0.00 H new ATOM 0 HA ARG A 100 11.895 8.250 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.661 8.310 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.963 8.571 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.385 10.173 -1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.025 10.742 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.877 11.479 -3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.187 9.809 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 100 10.998 9.656 -5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.181 12.256 -2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.502 12.755 -2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.826 10.300 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.165 11.644 -4.469 1.00 0.00 H new ATOM 1564 N LYS A 101 13.936 6.879 -4.552 1.00 0.00 N ATOM 1565 CA LYS A 101 14.918 5.936 -5.057 1.00 0.00 C ATOM 1566 C LYS A 101 16.298 6.299 -4.506 1.00 0.00 C ATOM 1567 O LYS A 101 16.617 7.476 -4.347 1.00 0.00 O ATOM 1568 CB LYS A 101 14.863 5.871 -6.585 1.00 0.00 C ATOM 1569 CG LYS A 101 14.076 4.647 -7.055 1.00 0.00 C ATOM 1570 CD LYS A 101 14.327 4.369 -8.538 1.00 0.00 C ATOM 1571 CE LYS A 101 14.111 2.890 -8.863 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.430 2.739 -10.168 1.00 0.00 N ATOM 0 H LYS A 101 13.881 7.756 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 101 14.691 4.928 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.399 6.777 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.875 5.833 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.364 3.777 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.011 4.809 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.658 4.980 -9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.345 4.657 -8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.070 2.373 -8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.515 2.423 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.512 2.271 -10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.279 3.677 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.019 2.163 -10.803 1.00 0.00 H new ATOM 1585 N LYS A 102 17.080 5.266 -4.229 1.00 0.00 N ATOM 1586 CA LYS A 102 18.419 5.461 -3.699 1.00 0.00 C ATOM 1587 C LYS A 102 19.386 5.727 -4.854 1.00 0.00 C ATOM 1588 O LYS A 102 20.420 6.367 -4.668 1.00 0.00 O ATOM 1589 CB LYS A 102 18.824 4.278 -2.818 1.00 0.00 C ATOM 1590 CG LYS A 102 20.063 4.614 -1.985 1.00 0.00 C ATOM 1591 CD LYS A 102 20.168 3.697 -0.764 1.00 0.00 C ATOM 1592 CE LYS A 102 21.622 3.301 -0.500 1.00 0.00 C ATOM 1593 NZ LYS A 102 22.399 4.467 -0.024 1.00 0.00 N ATOM 0 H LYS A 102 16.812 4.291 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 102 18.448 6.336 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.998 4.012 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.026 3.407 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.957 4.511 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 102 20.017 5.654 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.760 4.203 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.567 2.802 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.659 2.504 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.069 2.907 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 23.383 4.180 0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 22.379 5.216 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.981 4.826 0.858 1.00 0.00 H new ATOM 1607 N VAL A 103 19.017 5.222 -6.022 1.00 0.00 N ATOM 1608 CA VAL A 103 19.839 5.396 -7.207 1.00 0.00 C ATOM 1609 C VAL A 103 18.942 5.416 -8.446 1.00 0.00 C ATOM 1610 O VAL A 103 18.268 4.432 -8.745 1.00 0.00 O ATOM 1611 CB VAL A 103 20.913 4.308 -7.264 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.609 3.186 -6.269 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.061 3.758 -8.684 1.00 0.00 C ATOM 0 H VAL A 103 18.159 4.692 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 103 20.364 6.350 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 103 21.864 4.759 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.387 2.425 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.578 3.594 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.645 2.738 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.831 2.986 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.113 3.330 -9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.345 4.565 -9.359 1.00 0.00 H new ATOM 1623 N GLU A 104 18.963 6.548 -9.135 1.00 0.00 N ATOM 1624 CA GLU A 104 18.160 6.710 -10.335 1.00 0.00 C ATOM 1625 C GLU A 104 18.580 5.689 -11.395 1.00 0.00 C ATOM 1626 O GLU A 104 19.504 4.907 -11.178 1.00 0.00 O ATOM 1627 CB GLU A 104 18.264 8.137 -10.877 1.00 0.00 C ATOM 1628 CG GLU A 104 17.975 9.162 -9.779 1.00 0.00 C ATOM 1629 CD GLU A 104 19.244 9.923 -9.390 1.00 0.00 C ATOM 1630 OE1 GLU A 104 20.336 9.354 -9.609 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.094 11.055 -8.883 1.00 0.00 O ATOM 0 H GLU A 104 19.524 7.362 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 104 17.116 6.530 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.262 8.304 -11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.560 8.270 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.217 9.865 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.567 8.657 -8.903 1.00 0.00 H new ATOM 1638 N ASN A 105 17.880 5.730 -12.519 1.00 0.00 N ATOM 1639 CA ASN A 105 18.168 4.819 -13.614 1.00 0.00 C ATOM 1640 C ASN A 105 18.347 3.404 -13.060 1.00 0.00 C ATOM 1641 O ASN A 105 19.418 2.813 -13.190 1.00 0.00 O ATOM 1642 CB ASN A 105 19.460 5.212 -14.333 1.00 0.00 C ATOM 1643 CG ASN A 105 19.192 6.274 -15.400 1.00 0.00 C ATOM 1644 OD1 ASN A 105 19.398 6.067 -16.585 1.00 0.00 O ATOM 1645 ND2 ASN A 105 18.722 7.421 -14.917 1.00 0.00 N ATOM 0 H ASN A 105 17.114 6.380 -12.695 1.00 0.00 H new ATOM 0 HA ASN A 105 17.336 4.864 -14.317 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.182 5.592 -13.610 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.906 4.331 -14.795 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.511 8.193 -15.550 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.572 7.529 -13.914 1.00 0.00 H new ATOM 1652 N THR A 106 17.281 2.901 -12.453 1.00 0.00 N ATOM 1653 CA THR A 106 17.307 1.567 -11.879 1.00 0.00 C ATOM 1654 C THR A 106 15.949 0.885 -12.052 1.00 0.00 C ATOM 1655 O THR A 106 15.016 1.152 -11.296 1.00 0.00 O ATOM 1656 CB THR A 106 17.744 1.689 -10.418 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.159 1.844 -10.490 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.551 0.387 -9.638 1.00 0.00 C ATOM 0 H THR A 106 16.394 3.394 -12.347 1.00 0.00 H new ATOM 0 HA THR A 106 18.024 0.929 -12.395 1.00 0.00 H new ATOM 0 HB THR A 106 17.180 2.488 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.574 1.424 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.877 0.529 -8.607 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.497 0.108 -9.651 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.141 -0.405 -10.100 1.00 0.00 H new ATOM 1666 N ARG A 107 15.880 0.018 -13.051 1.00 0.00 N ATOM 1667 CA ARG A 107 14.651 -0.704 -13.333 1.00 0.00 C ATOM 1668 C ARG A 107 14.313 -1.648 -12.178 1.00 0.00 C ATOM 1669 O ARG A 107 15.209 -2.165 -11.512 1.00 0.00 O ATOM 1670 CB ARG A 107 14.772 -1.513 -14.626 1.00 0.00 C ATOM 1671 CG ARG A 107 13.457 -1.497 -15.408 1.00 0.00 C ATOM 1672 CD ARG A 107 13.708 -1.256 -16.898 1.00 0.00 C ATOM 1673 NE ARG A 107 13.388 0.147 -17.244 1.00 0.00 N ATOM 1674 CZ ARG A 107 13.850 0.776 -18.333 1.00 0.00 C ATOM 1675 NH1 ARG A 107 14.657 0.131 -19.187 1.00 0.00 N ATOM 1676 NH2 ARG A 107 13.507 2.050 -18.567 1.00 0.00 N ATOM 0 H ARG A 107 16.656 -0.201 -13.676 1.00 0.00 H new ATOM 0 HA ARG A 107 13.854 0.031 -13.451 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.571 -1.102 -15.243 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.047 -2.541 -14.391 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.937 -2.445 -15.272 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.805 -0.717 -15.015 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.749 -1.470 -17.139 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.097 -1.935 -17.493 1.00 0.00 H new ATOM 0 HE ARG A 107 12.778 0.668 -16.614 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.919 -0.838 -19.008 1.00 0.00 H new ATOM 0 HH12 ARG A 107 15.009 0.609 -20.016 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.894 2.541 -17.916 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.859 2.529 -19.396 1.00 0.00 H new ATOM 1690 N TRP A 108 13.019 -1.844 -11.975 1.00 0.00 N ATOM 1691 CA TRP A 108 12.551 -2.717 -10.912 1.00 0.00 C ATOM 1692 C TRP A 108 11.833 -3.904 -11.556 1.00 0.00 C ATOM 1693 O TRP A 108 10.650 -3.817 -11.881 1.00 0.00 O ATOM 1694 CB TRP A 108 11.672 -1.952 -9.921 1.00 0.00 C ATOM 1695 CG TRP A 108 12.457 -1.169 -8.867 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.609 -0.503 -9.023 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.098 -0.997 -7.480 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.018 0.084 -7.843 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.070 -0.226 -6.875 1.00 0.00 C ATOM 1700 CE3 TRP A 108 10.990 -1.476 -6.761 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.031 0.133 -5.522 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 10.965 -1.108 -5.410 1.00 0.00 C ATOM 1703 CH2 TRP A 108 11.935 -0.333 -4.785 1.00 0.00 C ATOM 0 H TRP A 108 12.279 -1.413 -12.529 1.00 0.00 H new ATOM 0 HA TRP A 108 13.389 -3.094 -10.326 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.037 -1.260 -10.474 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.012 -2.658 -9.417 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.150 -0.434 -9.955 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.861 0.642 -7.706 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.218 -2.080 -7.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.805 0.737 -5.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.134 -1.450 -4.812 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.844 -0.091 -3.736 1.00 0.00 H new ATOM 1714 N ASP A 109 12.579 -4.987 -11.722 1.00 0.00 N ATOM 1715 CA ASP A 109 12.028 -6.190 -12.322 1.00 0.00 C ATOM 1716 C ASP A 109 10.822 -6.656 -11.504 1.00 0.00 C ATOM 1717 O ASP A 109 9.908 -7.282 -12.039 1.00 0.00 O ATOM 1718 CB ASP A 109 13.058 -7.322 -12.332 1.00 0.00 C ATOM 1719 CG ASP A 109 13.937 -7.384 -13.583 1.00 0.00 C ATOM 1720 OD1 ASP A 109 13.691 -6.562 -14.491 1.00 0.00 O ATOM 1721 OD2 ASP A 109 14.835 -8.254 -13.602 1.00 0.00 O ATOM 0 H ASP A 109 13.560 -5.056 -11.451 1.00 0.00 H new ATOM 0 HA ASP A 109 11.741 -5.955 -13.347 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.702 -7.215 -11.459 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.533 -8.272 -12.227 1.00 0.00 H new ATOM 1726 N TYR A 110 10.858 -6.334 -10.219 1.00 0.00 N ATOM 1727 CA TYR A 110 9.779 -6.712 -9.322 1.00 0.00 C ATOM 1728 C TYR A 110 9.631 -5.699 -8.185 1.00 0.00 C ATOM 1729 O TYR A 110 10.626 -5.236 -7.628 1.00 0.00 O ATOM 1730 CB TYR A 110 10.176 -8.067 -8.732 1.00 0.00 C ATOM 1731 CG TYR A 110 10.464 -9.142 -9.783 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.420 -9.758 -10.443 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.767 -9.495 -10.069 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.691 -10.770 -11.431 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.037 -10.507 -11.058 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.986 -11.095 -11.690 1.00 0.00 C ATOM 1737 OH TYR A 110 11.242 -12.050 -12.623 1.00 0.00 O ATOM 0 H TYR A 110 11.618 -5.816 -9.778 1.00 0.00 H new ATOM 0 HA TYR A 110 8.831 -6.751 -9.858 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.061 -7.936 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.376 -8.416 -8.079 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.400 -9.481 -10.219 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.584 -9.013 -9.552 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.884 -11.260 -11.955 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.052 -10.793 -11.292 1.00 0.00 H new ATOM 0 HH TYR A 110 12.210 -12.177 -12.704 1.00 0.00 H new ATOM 1747 N LEU A 111 8.382 -5.384 -7.875 1.00 0.00 N ATOM 1748 CA LEU A 111 8.091 -4.434 -6.815 1.00 0.00 C ATOM 1749 C LEU A 111 8.894 -4.807 -5.566 1.00 0.00 C ATOM 1750 O LEU A 111 9.289 -3.935 -4.794 1.00 0.00 O ATOM 1751 CB LEU A 111 6.583 -4.346 -6.573 1.00 0.00 C ATOM 1752 CG LEU A 111 6.065 -3.006 -6.047 1.00 0.00 C ATOM 1753 CD1 LEU A 111 4.708 -3.174 -5.361 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.093 -2.342 -5.129 1.00 0.00 C ATOM 0 H LEU A 111 7.560 -5.770 -8.339 1.00 0.00 H new ATOM 0 HA LEU A 111 8.403 -3.431 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.071 -4.568 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.303 -5.125 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 111 5.916 -2.340 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.362 -2.207 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.986 -3.572 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.807 -3.864 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.699 -1.391 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.298 -2.994 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.015 -2.166 -5.683 1.00 0.00 H new ATOM 1766 N THR A 112 9.110 -6.105 -5.408 1.00 0.00 N ATOM 1767 CA THR A 112 9.858 -6.605 -4.266 1.00 0.00 C ATOM 1768 C THR A 112 10.999 -7.511 -4.732 1.00 0.00 C ATOM 1769 O THR A 112 10.924 -8.107 -5.806 1.00 0.00 O ATOM 1770 CB THR A 112 8.874 -7.301 -3.325 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.038 -8.060 -4.195 1.00 0.00 O ATOM 1772 CG2 THR A 112 7.914 -6.319 -2.649 1.00 0.00 C ATOM 0 H THR A 112 8.781 -6.825 -6.051 1.00 0.00 H new ATOM 0 HA THR A 112 10.334 -5.792 -3.718 1.00 0.00 H new ATOM 0 HB THR A 112 9.428 -7.849 -2.563 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.371 -8.545 -3.666 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.237 -6.866 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.484 -5.598 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.336 -5.794 -3.409 1.00 0.00 H new