USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 719 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 85 LYS NZ :NH3+ 157:sc= 0.884 (180deg=-0.784) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0.38 USER MOD Set 2.1: A 11 LYS NZ :NH3+ 156:sc= 1.28 (180deg=-0.268!) USER MOD Set 2.2: A 58 TYR OH : rot 165:sc= -1.36! USER MOD Set 3.1: A 14 HIS : no HD1:sc= -1.53! C(o=-3.4!,f=-13!) USER MOD Set 3.2: A 49 SER OG : rot 141:sc= -0.269! USER MOD Set 3.3: A 86 SER OG : rot -158:sc= 1.15 USER MOD Set 3.4: A 91 HIS : no HE2:sc= -2.77! C(o=-3.4!,f=-22!) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= -0.223 (180deg=-0.959) USER MOD Single : A 12 CYS SG : rot -117:sc= -6.43! USER MOD Single : A 13 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.0405 (180deg=-1.45) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.2) USER MOD Single : A 27 GLN :FLIP amide:sc= -7.19! C(o=-11!,f=-7.2!) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= -0.281 (180deg=-1.29!) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0414 (180deg=-0.477) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= 0.614 (180deg=0.239) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0.679! (180deg=0.355) USER MOD Single : A 44 SER OG : rot -140:sc= -6.9! USER MOD Single : A 51 LYS NZ :NH3+ -135:sc= -0.0906 (180deg=-1.26) USER MOD Single : A 55 SER OG : rot 103:sc= 1.02 USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0352 (180deg=-0.424) USER MOD Single : A 64 MET CE :methyl 148:sc= -7.29! (180deg=-15.2!) USER MOD Single : A 66 LYS NZ :NH3+ -120:sc= -1.9! (180deg=-3.53!) USER MOD Single : A 76 GLN : amide:sc= -3.11! C(o=-3.1!,f=-14!) USER MOD Single : A 81 SER OG : rot -82:sc= -3.99! USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 0.821 (180deg=-1.84!) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -11.394 9.361 0.486 1.00 0.00 N ATOM 97 CA LYS A 9 -10.443 8.535 1.163 1.00 0.00 C ATOM 98 C LYS A 9 -10.258 7.250 0.391 1.00 0.00 C ATOM 99 O LYS A 9 -11.150 6.834 -0.355 1.00 0.00 O ATOM 100 CB LYS A 9 -10.939 8.300 2.577 1.00 0.00 C ATOM 101 CG LYS A 9 -11.082 9.686 3.213 1.00 0.00 C ATOM 102 CD LYS A 9 -11.623 9.607 4.633 1.00 0.00 C ATOM 103 CE LYS A 9 -11.930 11.036 5.103 1.00 0.00 C ATOM 104 NZ LYS A 9 -10.896 11.966 4.565 1.00 0.00 N ATOM 0 HA LYS A 9 -9.466 9.016 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.893 7.773 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.237 7.684 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.112 10.183 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.748 10.297 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.524 8.994 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.894 9.137 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.920 11.338 4.762 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.942 11.078 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.899 12.846 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.959 11.519 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.107 12.182 3.570 1.00 0.00 H new ATOM 118 N ILE A 10 -9.072 6.700 0.466 1.00 0.00 N ATOM 119 CA ILE A 10 -8.714 5.569 -0.355 1.00 0.00 C ATOM 120 C ILE A 10 -8.679 4.339 0.489 1.00 0.00 C ATOM 121 O ILE A 10 -8.033 4.324 1.527 1.00 0.00 O ATOM 122 CB ILE A 10 -7.327 5.774 -0.976 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.223 7.173 -1.565 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.114 4.753 -2.101 1.00 0.00 C ATOM 125 CD1 ILE A 10 -5.825 7.400 -2.135 1.00 0.00 C ATOM 0 H ILE A 10 -8.333 7.020 1.092 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.454 5.467 -1.149 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.572 5.644 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.969 7.302 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.436 7.916 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.128 4.899 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.184 3.744 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.878 4.890 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.762 8.404 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.086 7.291 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.628 6.667 -2.918 1.00 0.00 H new ATOM 137 N LYS A 11 -9.372 3.310 0.046 1.00 0.00 N ATOM 138 CA LYS A 11 -9.397 2.058 0.762 1.00 0.00 C ATOM 139 C LYS A 11 -8.268 1.189 0.236 1.00 0.00 C ATOM 140 O LYS A 11 -8.327 0.700 -0.898 1.00 0.00 O ATOM 141 CB LYS A 11 -10.726 1.367 0.485 1.00 0.00 C ATOM 142 CG LYS A 11 -11.884 2.322 0.794 1.00 0.00 C ATOM 143 CD LYS A 11 -13.189 1.722 0.263 1.00 0.00 C ATOM 144 CE LYS A 11 -13.477 0.416 1.011 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.917 0.087 0.919 1.00 0.00 N ATOM 0 H LYS A 11 -9.926 3.320 -0.810 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.280 2.223 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.772 1.051 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.812 0.467 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.957 2.488 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.703 3.293 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.011 2.425 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.109 1.533 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.883 -0.394 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.184 0.514 2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.048 -0.936 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.438 0.599 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.278 0.367 -0.015 1.00 0.00 H new ATOM 159 N CYS A 12 -7.200 1.065 0.999 1.00 0.00 N ATOM 160 CA CYS A 12 -6.043 0.337 0.511 1.00 0.00 C ATOM 161 C CYS A 12 -5.271 -0.375 1.598 1.00 0.00 C ATOM 162 O CYS A 12 -5.393 -0.060 2.796 1.00 0.00 O ATOM 163 CB CYS A 12 -5.114 1.263 -0.297 1.00 0.00 C ATOM 164 SG CYS A 12 -3.584 1.578 0.625 1.00 0.00 S ATOM 0 H CYS A 12 -7.108 1.449 1.939 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.434 -0.442 -0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.880 0.806 -1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.621 2.205 -0.507 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.498 2.845 0.903 1.00 0.00 H new ATOM 170 N SER A 13 -4.388 -1.241 1.148 1.00 0.00 N ATOM 171 CA SER A 13 -3.454 -1.943 1.999 1.00 0.00 C ATOM 172 C SER A 13 -2.055 -1.685 1.480 1.00 0.00 C ATOM 173 O SER A 13 -1.844 -1.705 0.265 1.00 0.00 O ATOM 174 CB SER A 13 -3.768 -3.440 1.987 1.00 0.00 C ATOM 175 OG SER A 13 -5.173 -3.622 2.092 1.00 0.00 O ATOM 0 H SER A 13 -4.299 -1.481 0.161 1.00 0.00 H new ATOM 0 HA SER A 13 -3.533 -1.590 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.398 -3.894 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.262 -3.937 2.815 1.00 0.00 H new ATOM 0 HG SER A 13 -5.380 -4.580 2.083 1.00 0.00 H new ATOM 181 N HIS A 14 -1.121 -1.340 2.369 1.00 0.00 N ATOM 182 CA HIS A 14 0.225 -0.992 1.926 1.00 0.00 C ATOM 183 C HIS A 14 1.286 -1.775 2.648 1.00 0.00 C ATOM 184 O HIS A 14 1.127 -2.126 3.825 1.00 0.00 O ATOM 185 CB HIS A 14 0.476 0.533 2.025 1.00 0.00 C ATOM 186 CG HIS A 14 1.349 0.908 3.210 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.495 1.678 3.060 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.233 0.672 4.559 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.014 1.867 4.284 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.285 1.285 5.235 1.00 0.00 N ATOM 0 H HIS A 14 -1.269 -1.295 3.377 1.00 0.00 H new ATOM 0 HA HIS A 14 0.293 -1.271 0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.949 0.879 1.106 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.480 1.050 2.105 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.445 0.098 5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.918 2.426 4.475 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.459 1.288 6.240 1.00 0.00 H new ATOM 198 N ILE A 15 2.375 -2.010 1.949 1.00 0.00 N ATOM 199 CA ILE A 15 3.524 -2.692 2.495 1.00 0.00 C ATOM 200 C ILE A 15 4.745 -1.806 2.320 1.00 0.00 C ATOM 201 O ILE A 15 5.024 -1.348 1.215 1.00 0.00 O ATOM 202 CB ILE A 15 3.720 -4.028 1.752 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.486 -4.900 1.983 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.958 -4.767 2.281 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.519 -6.101 1.034 1.00 0.00 C ATOM 0 H ILE A 15 2.487 -1.729 0.975 1.00 0.00 H new ATOM 0 HA ILE A 15 3.377 -2.897 3.555 1.00 0.00 H new ATOM 0 HB ILE A 15 3.859 -3.827 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.459 -5.242 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.580 -4.317 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.078 -5.707 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.843 -4.148 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.833 -4.971 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.638 -6.721 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.525 -5.749 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.417 -6.689 1.222 1.00 0.00 H new ATOM 217 N LEU A 16 5.443 -1.546 3.405 1.00 0.00 N ATOM 218 CA LEU A 16 6.618 -0.697 3.363 1.00 0.00 C ATOM 219 C LEU A 16 7.861 -1.542 3.435 1.00 0.00 C ATOM 220 O LEU A 16 8.018 -2.339 4.366 1.00 0.00 O ATOM 221 CB LEU A 16 6.600 0.294 4.531 1.00 0.00 C ATOM 222 CG LEU A 16 7.806 1.244 4.441 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.769 2.028 3.128 1.00 0.00 C ATOM 224 CD2 LEU A 16 7.776 2.225 5.615 1.00 0.00 C ATOM 0 H LEU A 16 5.217 -1.911 4.330 1.00 0.00 H new ATOM 0 HA LEU A 16 6.613 -0.139 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.674 0.868 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.624 -0.247 5.477 1.00 0.00 H new ATOM 0 HG LEU A 16 8.721 0.652 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.629 2.696 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.801 1.333 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.851 2.614 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.631 2.897 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.854 2.806 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.821 1.671 6.553 1.00 0.00 H new ATOM 236 N VAL A 17 8.744 -1.370 2.480 1.00 0.00 N ATOM 237 CA VAL A 17 9.964 -2.129 2.428 1.00 0.00 C ATOM 238 C VAL A 17 11.159 -1.234 2.125 1.00 0.00 C ATOM 239 O VAL A 17 11.016 -0.152 1.538 1.00 0.00 O ATOM 240 CB VAL A 17 9.846 -3.259 1.395 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.740 -4.228 1.828 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.494 -2.686 0.020 1.00 0.00 C ATOM 0 H VAL A 17 8.634 -0.700 1.719 1.00 0.00 H new ATOM 0 HA VAL A 17 10.130 -2.575 3.409 1.00 0.00 H new ATOM 0 HB VAL A 17 10.801 -3.781 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.654 -5.032 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.986 -4.649 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.793 -3.693 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.413 -3.498 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.543 -2.157 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.275 -1.994 -0.297 1.00 0.00 H new ATOM 252 N LYS A 18 12.329 -1.683 2.544 1.00 0.00 N ATOM 253 CA LYS A 18 13.562 -0.940 2.323 1.00 0.00 C ATOM 254 C LYS A 18 14.120 -1.190 0.932 1.00 0.00 C ATOM 255 O LYS A 18 14.927 -0.399 0.430 1.00 0.00 O ATOM 256 CB LYS A 18 14.613 -1.271 3.404 1.00 0.00 C ATOM 257 CG LYS A 18 14.603 -2.780 3.739 1.00 0.00 C ATOM 258 CD LYS A 18 13.768 -3.016 5.010 1.00 0.00 C ATOM 259 CE LYS A 18 13.904 -4.477 5.473 1.00 0.00 C ATOM 260 NZ LYS A 18 13.622 -5.406 4.347 1.00 0.00 N ATOM 0 H LYS A 18 12.454 -2.564 3.043 1.00 0.00 H new ATOM 0 HA LYS A 18 13.322 0.120 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.603 -0.978 3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.408 -0.693 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.186 -3.346 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.622 -3.137 3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.100 -2.344 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.721 -2.785 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.910 -4.652 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.214 -4.671 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.334 -6.331 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.856 -5.018 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.478 -5.520 3.768 1.00 0.00 H new ATOM 274 N LYS A 19 13.738 -2.315 0.347 1.00 0.00 N ATOM 275 CA LYS A 19 14.229 -2.725 -0.962 1.00 0.00 C ATOM 276 C LYS A 19 13.129 -2.692 -2.018 1.00 0.00 C ATOM 277 O LYS A 19 12.030 -3.221 -1.813 1.00 0.00 O ATOM 278 CB LYS A 19 14.768 -4.147 -0.878 1.00 0.00 C ATOM 279 CG LYS A 19 16.052 -4.218 -0.039 1.00 0.00 C ATOM 280 CD LYS A 19 17.225 -3.678 -0.863 1.00 0.00 C ATOM 281 CE LYS A 19 18.551 -4.209 -0.294 1.00 0.00 C ATOM 282 NZ LYS A 19 19.649 -3.895 -1.243 1.00 0.00 N ATOM 0 H LYS A 19 13.078 -2.971 0.766 1.00 0.00 H new ATOM 0 HA LYS A 19 15.012 -2.024 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.011 -4.798 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.968 -4.520 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.936 -3.635 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.247 -5.247 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.119 -3.981 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.222 -2.588 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.752 -3.755 0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.488 -5.286 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.549 -4.252 -0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.456 -4.348 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.712 -2.865 -1.372 1.00 0.00 H new ATOM 296 N GLN A 20 13.502 -2.255 -3.203 1.00 0.00 N ATOM 297 CA GLN A 20 12.623 -2.322 -4.350 1.00 0.00 C ATOM 298 C GLN A 20 12.331 -3.782 -4.683 1.00 0.00 C ATOM 299 O GLN A 20 11.194 -4.153 -4.983 1.00 0.00 O ATOM 300 CB GLN A 20 13.268 -1.594 -5.543 1.00 0.00 C ATOM 301 CG GLN A 20 12.372 -1.667 -6.780 1.00 0.00 C ATOM 302 CD GLN A 20 12.963 -0.808 -7.895 1.00 0.00 C ATOM 303 OE1 GLN A 20 13.584 0.225 -7.621 1.00 0.00 O ATOM 304 NE2 GLN A 20 12.833 -1.176 -9.130 1.00 0.00 N ATOM 0 H GLN A 20 14.416 -1.846 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 20 11.679 -1.827 -4.123 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.449 -0.551 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.237 -2.040 -5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.280 -2.701 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.368 -1.321 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.321 -2.028 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.243 -0.614 -9.876 1.00 0.00 H new ATOM 313 N GLY A 21 13.349 -4.622 -4.569 1.00 0.00 N ATOM 314 CA GLY A 21 13.195 -6.049 -4.832 1.00 0.00 C ATOM 315 C GLY A 21 12.181 -6.660 -3.890 1.00 0.00 C ATOM 316 O GLY A 21 11.368 -7.496 -4.297 1.00 0.00 O ATOM 0 H GLY A 21 14.291 -4.342 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.878 -6.202 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.155 -6.551 -4.716 1.00 0.00 H new ATOM 320 N GLU A 22 12.163 -6.170 -2.657 1.00 0.00 N ATOM 321 CA GLU A 22 11.173 -6.599 -1.687 1.00 0.00 C ATOM 322 C GLU A 22 9.790 -6.161 -2.151 1.00 0.00 C ATOM 323 O GLU A 22 8.835 -6.947 -2.134 1.00 0.00 O ATOM 324 CB GLU A 22 11.487 -5.993 -0.308 1.00 0.00 C ATOM 325 CG GLU A 22 12.766 -6.627 0.276 1.00 0.00 C ATOM 326 CD GLU A 22 13.199 -5.922 1.561 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.439 -5.136 2.089 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.287 -6.191 2.016 1.00 0.00 O ATOM 0 H GLU A 22 12.824 -5.476 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 22 11.197 -7.685 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.616 -4.914 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.649 -6.159 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.590 -7.683 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.569 -6.573 -0.459 1.00 0.00 H new ATOM 335 N ALA A 23 9.703 -4.929 -2.643 1.00 0.00 N ATOM 336 CA ALA A 23 8.441 -4.422 -3.175 1.00 0.00 C ATOM 337 C ALA A 23 7.969 -5.300 -4.332 1.00 0.00 C ATOM 338 O ALA A 23 6.824 -5.757 -4.352 1.00 0.00 O ATOM 339 CB ALA A 23 8.589 -2.969 -3.639 1.00 0.00 C ATOM 0 H ALA A 23 10.480 -4.270 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 23 7.696 -4.452 -2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.636 -2.613 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.889 -2.347 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.347 -2.912 -4.420 1.00 0.00 H new ATOM 345 N LEU A 24 8.876 -5.605 -5.245 1.00 0.00 N ATOM 346 CA LEU A 24 8.552 -6.498 -6.353 1.00 0.00 C ATOM 347 C LEU A 24 8.179 -7.875 -5.831 1.00 0.00 C ATOM 348 O LEU A 24 7.249 -8.516 -6.335 1.00 0.00 O ATOM 349 CB LEU A 24 9.736 -6.630 -7.335 1.00 0.00 C ATOM 350 CG LEU A 24 9.738 -5.485 -8.372 1.00 0.00 C ATOM 351 CD1 LEU A 24 8.680 -5.752 -9.443 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.458 -4.141 -7.706 1.00 0.00 C ATOM 0 H LEU A 24 9.834 -5.254 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 24 7.705 -6.065 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.674 -6.622 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.679 -7.589 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 24 10.726 -5.446 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.687 -4.941 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.901 -6.693 -9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.697 -5.812 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.465 -3.353 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.482 -4.171 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.227 -3.937 -6.960 1.00 0.00 H new ATOM 364 N ALA A 25 8.929 -8.348 -4.841 1.00 0.00 N ATOM 365 CA ALA A 25 8.703 -9.673 -4.297 1.00 0.00 C ATOM 366 C ALA A 25 7.282 -9.822 -3.789 1.00 0.00 C ATOM 367 O ALA A 25 6.581 -10.767 -4.164 1.00 0.00 O ATOM 368 CB ALA A 25 9.697 -9.978 -3.173 1.00 0.00 C ATOM 0 H ALA A 25 9.694 -7.833 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 25 8.857 -10.390 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.507 -10.977 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.714 -9.928 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.578 -9.246 -2.374 1.00 0.00 H new ATOM 374 N VAL A 26 6.841 -8.876 -2.965 1.00 0.00 N ATOM 375 CA VAL A 26 5.480 -8.927 -2.443 1.00 0.00 C ATOM 376 C VAL A 26 4.468 -8.775 -3.563 1.00 0.00 C ATOM 377 O VAL A 26 3.463 -9.481 -3.607 1.00 0.00 O ATOM 378 CB VAL A 26 5.243 -7.868 -1.344 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.330 -7.980 -0.279 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.271 -6.458 -1.939 1.00 0.00 C ATOM 0 H VAL A 26 7.394 -8.079 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 26 5.346 -9.907 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 26 4.264 -8.047 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.160 -7.231 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.302 -8.975 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.306 -7.814 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.102 -5.726 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.242 -6.277 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.489 -6.365 -2.692 1.00 0.00 H new ATOM 390 N GLN A 27 4.749 -7.864 -4.481 1.00 0.00 N ATOM 391 CA GLN A 27 3.845 -7.618 -5.591 1.00 0.00 C ATOM 392 C GLN A 27 3.642 -8.885 -6.387 1.00 0.00 C ATOM 393 O GLN A 27 2.515 -9.348 -6.535 1.00 0.00 O ATOM 394 CB GLN A 27 4.440 -6.528 -6.480 1.00 0.00 C ATOM 395 CG GLN A 27 4.336 -5.186 -5.757 1.00 0.00 C ATOM 396 CD GLN A 27 5.180 -4.131 -6.451 1.00 0.00 C ATOM 397 OE1 GLN A 27 5.172 -2.928 -5.996 1.00 0.00 O flip ATOM 398 NE2 GLN A 27 5.849 -4.409 -7.444 1.00 0.00 N flip ATOM 0 H GLN A 27 5.590 -7.287 -4.479 1.00 0.00 H new ATOM 0 HA GLN A 27 2.877 -7.293 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.482 -6.754 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.909 -6.486 -7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.295 -4.864 -5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.664 -5.298 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.855 -5.363 -7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.398 -3.685 -7.908 1.00 0.00 H new ATOM 407 N GLU A 28 4.729 -9.520 -6.764 1.00 0.00 N ATOM 408 CA GLU A 28 4.654 -10.786 -7.460 1.00 0.00 C ATOM 409 C GLU A 28 4.071 -11.877 -6.566 1.00 0.00 C ATOM 410 O GLU A 28 3.307 -12.731 -7.031 1.00 0.00 O ATOM 411 CB GLU A 28 6.031 -11.190 -7.978 1.00 0.00 C ATOM 412 CG GLU A 28 6.454 -10.251 -9.118 1.00 0.00 C ATOM 413 CD GLU A 28 5.556 -10.453 -10.322 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.464 -11.570 -10.781 1.00 0.00 O ATOM 415 OE2 GLU A 28 4.966 -9.498 -10.770 1.00 0.00 O ATOM 0 H GLU A 28 5.677 -9.180 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 28 3.984 -10.664 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.761 -11.147 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.008 -12.220 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.400 -9.215 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.491 -10.444 -9.392 1.00 0.00 H new ATOM 422 N ARG A 29 4.423 -11.854 -5.294 1.00 0.00 N ATOM 423 CA ARG A 29 3.926 -12.854 -4.365 1.00 0.00 C ATOM 424 C ARG A 29 2.405 -12.749 -4.235 1.00 0.00 C ATOM 425 O ARG A 29 1.698 -13.763 -4.255 1.00 0.00 O ATOM 426 CB ARG A 29 4.632 -12.777 -3.005 1.00 0.00 C ATOM 427 CG ARG A 29 4.326 -14.050 -2.216 1.00 0.00 C ATOM 428 CD ARG A 29 5.141 -14.076 -0.921 1.00 0.00 C ATOM 429 NE ARG A 29 4.994 -15.373 -0.273 1.00 0.00 N ATOM 430 CZ ARG A 29 5.666 -15.705 0.819 1.00 0.00 C ATOM 431 NH1 ARG A 29 6.509 -14.864 1.339 1.00 0.00 N ATOM 432 NH2 ARG A 29 5.496 -16.882 1.344 1.00 0.00 N ATOM 0 H ARG A 29 5.046 -11.160 -4.882 1.00 0.00 H new ATOM 0 HA ARG A 29 4.160 -13.839 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.708 -12.669 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.293 -11.901 -2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.262 -14.097 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.561 -14.927 -2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.192 -13.884 -1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.804 -13.284 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 29 4.348 -16.052 -0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.652 -13.951 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.028 -15.116 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.848 -17.543 0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.010 -17.144 2.185 1.00 0.00 H new ATOM 446 N LEU A 30 1.897 -11.518 -4.253 1.00 0.00 N ATOM 447 CA LEU A 30 0.460 -11.299 -4.285 1.00 0.00 C ATOM 448 C LEU A 30 -0.097 -11.900 -5.540 1.00 0.00 C ATOM 449 O LEU A 30 -1.129 -12.574 -5.519 1.00 0.00 O ATOM 450 CB LEU A 30 0.117 -9.795 -4.226 1.00 0.00 C ATOM 451 CG LEU A 30 -0.084 -9.323 -2.772 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.522 -9.641 -2.344 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.899 -10.020 -1.815 1.00 0.00 C ATOM 0 H LEU A 30 2.457 -10.666 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 30 0.016 -11.775 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.917 -9.219 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.789 -9.604 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 30 0.103 -8.250 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.677 -9.312 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.220 -9.122 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.692 -10.716 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.731 -9.665 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.742 -11.098 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.922 -9.792 -2.114 1.00 0.00 H new ATOM 465 N LYS A 31 0.624 -11.722 -6.624 1.00 0.00 N ATOM 466 CA LYS A 31 0.227 -12.312 -7.879 1.00 0.00 C ATOM 467 C LYS A 31 0.251 -13.831 -7.752 1.00 0.00 C ATOM 468 O LYS A 31 -0.586 -14.526 -8.322 1.00 0.00 O ATOM 469 CB LYS A 31 1.147 -11.868 -9.015 1.00 0.00 C ATOM 470 CG LYS A 31 1.133 -10.332 -9.161 1.00 0.00 C ATOM 471 CD LYS A 31 -0.294 -9.815 -9.346 1.00 0.00 C ATOM 472 CE LYS A 31 -0.274 -8.574 -10.248 1.00 0.00 C ATOM 473 NZ LYS A 31 0.256 -8.952 -11.585 1.00 0.00 N ATOM 0 H LYS A 31 1.485 -11.176 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.783 -11.977 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.163 -12.210 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.828 -12.330 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.578 -9.875 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.744 -10.038 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.919 -10.590 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.731 -9.568 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.279 -8.163 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.347 -7.796 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.242 -8.412 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.273 -8.739 -11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.108 -9.969 -11.742 1.00 0.00 H new ATOM 487 N ALA A 32 1.207 -14.336 -6.974 1.00 0.00 N ATOM 488 CA ALA A 32 1.319 -15.773 -6.729 1.00 0.00 C ATOM 489 C ALA A 32 0.059 -16.300 -6.062 1.00 0.00 C ATOM 490 O ALA A 32 -0.268 -17.482 -6.179 1.00 0.00 O ATOM 491 CB ALA A 32 2.550 -16.101 -5.874 1.00 0.00 C ATOM 0 H ALA A 32 1.914 -13.772 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 32 1.439 -16.265 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.603 -17.177 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.450 -15.767 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.472 -15.592 -4.913 1.00 0.00 H new ATOM 497 N GLY A 33 -0.660 -15.418 -5.381 1.00 0.00 N ATOM 498 CA GLY A 33 -1.916 -15.797 -4.733 1.00 0.00 C ATOM 499 C GLY A 33 -1.803 -15.793 -3.217 1.00 0.00 C ATOM 500 O GLY A 33 -2.743 -16.182 -2.517 1.00 0.00 O ATOM 0 H GLY A 33 -0.400 -14.439 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.703 -15.108 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.212 -16.790 -5.071 1.00 0.00 H new ATOM 504 N GLU A 34 -0.675 -15.325 -2.698 1.00 0.00 N ATOM 505 CA GLU A 34 -0.509 -15.233 -1.256 1.00 0.00 C ATOM 506 C GLU A 34 -1.147 -13.957 -0.734 1.00 0.00 C ATOM 507 O GLU A 34 -1.307 -12.986 -1.482 1.00 0.00 O ATOM 508 CB GLU A 34 0.964 -15.296 -0.865 1.00 0.00 C ATOM 509 CG GLU A 34 1.565 -16.612 -1.381 1.00 0.00 C ATOM 510 CD GLU A 34 2.595 -17.134 -0.407 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.268 -17.295 0.741 1.00 0.00 O ATOM 512 OE2 GLU A 34 3.699 -17.380 -0.819 1.00 0.00 O ATOM 0 H GLU A 34 0.126 -15.008 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.010 -16.087 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.502 -14.446 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.069 -15.234 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.776 -17.351 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.025 -16.452 -2.356 1.00 0.00 H new ATOM 519 N LYS A 35 -1.606 -13.993 0.507 1.00 0.00 N ATOM 520 CA LYS A 35 -2.337 -12.875 1.066 1.00 0.00 C ATOM 521 C LYS A 35 -1.457 -11.651 1.243 1.00 0.00 C ATOM 522 O LYS A 35 -0.341 -11.722 1.784 1.00 0.00 O ATOM 523 CB LYS A 35 -3.031 -13.251 2.388 1.00 0.00 C ATOM 524 CG LYS A 35 -4.231 -12.313 2.616 1.00 0.00 C ATOM 525 CD LYS A 35 -5.022 -12.759 3.853 1.00 0.00 C ATOM 526 CE LYS A 35 -6.137 -11.739 4.144 1.00 0.00 C ATOM 527 NZ LYS A 35 -7.040 -11.621 2.967 1.00 0.00 N ATOM 0 H LYS A 35 -1.484 -14.782 1.141 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.113 -12.618 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.366 -14.288 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.328 -13.170 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.882 -11.289 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.879 -12.319 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.452 -13.746 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.357 -12.842 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.706 -12.051 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.701 -10.768 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.924 -11.154 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.574 -11.058 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.254 -12.569 2.597 1.00 0.00 H new ATOM 541 N PHE A 36 -2.021 -10.512 0.881 1.00 0.00 N ATOM 542 CA PHE A 36 -1.348 -9.238 1.016 1.00 0.00 C ATOM 543 C PHE A 36 -0.923 -9.095 2.463 1.00 0.00 C ATOM 544 O PHE A 36 0.204 -8.718 2.756 1.00 0.00 O ATOM 545 CB PHE A 36 -2.330 -8.113 0.639 1.00 0.00 C ATOM 546 CG PHE A 36 -1.623 -6.778 0.562 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.031 -6.375 -0.640 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.567 -5.941 1.681 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.385 -5.138 -0.725 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.919 -4.706 1.594 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.331 -4.303 0.390 1.00 0.00 C ATOM 0 H PHE A 36 -2.959 -10.447 0.485 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.478 -9.179 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.795 -8.338 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.131 -8.062 1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.073 -7.021 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.024 -6.248 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.072 -4.830 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.872 -4.061 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.164 -3.346 0.325 1.00 0.00 H new ATOM 561 N GLY A 37 -1.819 -9.463 3.355 1.00 0.00 N ATOM 562 CA GLY A 37 -1.557 -9.425 4.776 1.00 0.00 C ATOM 563 C GLY A 37 -0.379 -10.291 5.165 1.00 0.00 C ATOM 564 O GLY A 37 0.413 -9.908 6.019 1.00 0.00 O ATOM 0 H GLY A 37 -2.752 -9.798 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.365 -8.396 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.444 -9.757 5.316 1.00 0.00 H new ATOM 568 N LYS A 38 -0.232 -11.440 4.522 1.00 0.00 N ATOM 569 CA LYS A 38 0.897 -12.313 4.818 1.00 0.00 C ATOM 570 C LYS A 38 2.173 -11.554 4.531 1.00 0.00 C ATOM 571 O LYS A 38 3.066 -11.443 5.382 1.00 0.00 O ATOM 572 CB LYS A 38 0.836 -13.573 3.937 1.00 0.00 C ATOM 573 CG LYS A 38 1.958 -14.553 4.328 1.00 0.00 C ATOM 574 CD LYS A 38 1.882 -15.794 3.428 1.00 0.00 C ATOM 575 CE LYS A 38 2.974 -16.800 3.820 1.00 0.00 C ATOM 576 NZ LYS A 38 2.857 -18.009 2.963 1.00 0.00 N ATOM 0 H LYS A 38 -0.868 -11.787 3.804 1.00 0.00 H new ATOM 0 HA LYS A 38 0.865 -12.618 5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.134 -14.057 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.935 -13.296 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.930 -14.072 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.857 -14.841 5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.900 -16.258 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.002 -15.503 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.959 -16.350 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.873 -17.073 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.726 -18.575 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.045 -18.578 3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.718 -17.721 1.973 1.00 0.00 H new ATOM 590 N LEU A 39 2.200 -10.933 3.370 1.00 0.00 N ATOM 591 CA LEU A 39 3.314 -10.096 2.981 1.00 0.00 C ATOM 592 C LEU A 39 3.431 -8.922 3.942 1.00 0.00 C ATOM 593 O LEU A 39 4.547 -8.529 4.332 1.00 0.00 O ATOM 594 CB LEU A 39 3.111 -9.564 1.550 1.00 0.00 C ATOM 595 CG LEU A 39 3.510 -10.627 0.508 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.984 -10.977 0.661 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.665 -11.893 0.686 1.00 0.00 C ATOM 0 H LEU A 39 1.456 -10.994 2.675 1.00 0.00 H new ATOM 0 HA LEU A 39 4.226 -10.691 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.068 -9.282 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.708 -8.664 1.404 1.00 0.00 H new ATOM 0 HG LEU A 39 3.334 -10.219 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.258 -11.729 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.588 -10.082 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.163 -11.371 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.959 -12.634 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.823 -12.299 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.611 -11.648 0.557 1.00 0.00 H new ATOM 609 N ALA A 40 2.277 -8.344 4.297 1.00 0.00 N ATOM 610 CA ALA A 40 2.245 -7.180 5.150 1.00 0.00 C ATOM 611 C ALA A 40 2.824 -7.489 6.513 1.00 0.00 C ATOM 612 O ALA A 40 3.633 -6.724 7.033 1.00 0.00 O ATOM 613 CB ALA A 40 0.824 -6.662 5.295 1.00 0.00 C ATOM 0 H ALA A 40 1.359 -8.674 3.999 1.00 0.00 H new ATOM 0 HA ALA A 40 2.856 -6.408 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.821 -5.784 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.434 -6.391 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.197 -7.438 5.734 1.00 0.00 H new ATOM 619 N LYS A 41 2.453 -8.637 7.059 1.00 0.00 N ATOM 620 CA LYS A 41 2.981 -9.091 8.338 1.00 0.00 C ATOM 621 C LYS A 41 4.471 -9.310 8.210 1.00 0.00 C ATOM 622 O LYS A 41 5.239 -9.044 9.142 1.00 0.00 O ATOM 623 CB LYS A 41 2.322 -10.422 8.746 1.00 0.00 C ATOM 624 CG LYS A 41 0.851 -10.220 9.141 1.00 0.00 C ATOM 625 CD LYS A 41 0.770 -9.645 10.566 1.00 0.00 C ATOM 626 CE LYS A 41 -0.699 -9.573 11.012 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.427 -8.599 10.169 1.00 0.00 N ATOM 0 H LYS A 41 1.783 -9.277 6.633 1.00 0.00 H new ATOM 0 HA LYS A 41 2.769 -8.335 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.385 -11.129 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.868 -10.859 9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.365 -9.544 8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.317 -11.169 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.339 -10.271 11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.218 -8.652 10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.162 -10.556 10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.757 -9.278 12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.362 -8.412 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.887 -7.712 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.544 -8.988 9.212 1.00 0.00 H new ATOM 641 N GLU A 42 4.858 -9.897 7.094 1.00 0.00 N ATOM 642 CA GLU A 42 6.230 -10.280 6.865 1.00 0.00 C ATOM 643 C GLU A 42 7.158 -9.110 6.539 1.00 0.00 C ATOM 644 O GLU A 42 7.971 -8.705 7.376 1.00 0.00 O ATOM 645 CB GLU A 42 6.305 -11.360 5.771 1.00 0.00 C ATOM 646 CG GLU A 42 6.092 -12.739 6.392 1.00 0.00 C ATOM 647 CD GLU A 42 6.589 -13.810 5.458 1.00 0.00 C ATOM 648 OE1 GLU A 42 7.768 -14.078 5.489 1.00 0.00 O ATOM 649 OE2 GLU A 42 5.805 -14.340 4.713 1.00 0.00 O ATOM 0 H GLU A 42 4.228 -10.120 6.324 1.00 0.00 H new ATOM 0 HA GLU A 42 6.594 -10.686 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.548 -11.173 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.274 -11.320 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.619 -12.803 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.034 -12.892 6.603 1.00 0.00 H new ATOM 656 N LEU A 43 7.157 -8.699 5.286 1.00 0.00 N ATOM 657 CA LEU A 43 8.140 -7.730 4.795 1.00 0.00 C ATOM 658 C LEU A 43 8.030 -6.385 5.439 1.00 0.00 C ATOM 659 O LEU A 43 9.014 -5.651 5.508 1.00 0.00 O ATOM 660 CB LEU A 43 8.002 -7.525 3.297 1.00 0.00 C ATOM 661 CG LEU A 43 8.720 -8.629 2.548 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.837 -9.868 2.511 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.011 -8.146 1.131 1.00 0.00 C ATOM 0 H LEU A 43 6.490 -9.016 4.583 1.00 0.00 H new ATOM 0 HA LEU A 43 9.107 -8.162 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.948 -7.514 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.416 -6.557 3.016 1.00 0.00 H new ATOM 0 HG LEU A 43 9.657 -8.880 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.350 -10.665 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.626 -10.195 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.901 -9.633 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.528 -8.930 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.074 -7.906 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.639 -7.256 1.172 1.00 0.00 H new ATOM 675 N SER A 44 6.820 -5.942 5.586 1.00 0.00 N ATOM 676 CA SER A 44 6.588 -4.552 5.841 1.00 0.00 C ATOM 677 C SER A 44 7.329 -4.076 7.077 1.00 0.00 C ATOM 678 O SER A 44 7.230 -4.687 8.141 1.00 0.00 O ATOM 679 CB SER A 44 5.113 -4.322 5.997 1.00 0.00 C ATOM 680 OG SER A 44 4.426 -5.195 5.131 1.00 0.00 O ATOM 0 H SER A 44 5.980 -6.519 5.534 1.00 0.00 H new ATOM 0 HA SER A 44 6.967 -3.977 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.810 -4.498 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.865 -3.286 5.764 1.00 0.00 H new ATOM 0 HG SER A 44 3.667 -4.725 4.727 1.00 0.00 H new ATOM 686 N ILE A 45 7.994 -2.936 6.950 1.00 0.00 N ATOM 687 CA ILE A 45 8.688 -2.329 8.068 1.00 0.00 C ATOM 688 C ILE A 45 7.742 -1.420 8.841 1.00 0.00 C ATOM 689 O ILE A 45 8.026 -1.018 9.976 1.00 0.00 O ATOM 690 CB ILE A 45 9.942 -1.574 7.589 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.555 -0.485 6.580 1.00 0.00 C ATOM 692 CG2 ILE A 45 10.907 -2.559 6.917 1.00 0.00 C ATOM 693 CD1 ILE A 45 10.787 0.357 6.233 1.00 0.00 C ATOM 0 H ILE A 45 8.065 -2.413 6.077 1.00 0.00 H new ATOM 0 HA ILE A 45 9.024 -3.115 8.744 1.00 0.00 H new ATOM 0 HB ILE A 45 10.422 -1.110 8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.147 -0.940 5.677 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.774 0.150 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.795 -2.025 6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.198 -3.329 7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.415 -3.025 6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.509 1.130 5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.175 0.824 7.138 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.554 -0.283 5.798 1.00 0.00 H new ATOM 705 N ASP A 46 6.550 -1.231 8.281 1.00 0.00 N ATOM 706 CA ASP A 46 5.474 -0.528 8.959 1.00 0.00 C ATOM 707 C ASP A 46 4.758 -1.522 9.844 1.00 0.00 C ATOM 708 O ASP A 46 3.933 -2.315 9.366 1.00 0.00 O ATOM 709 CB ASP A 46 4.496 0.053 7.923 1.00 0.00 C ATOM 710 CG ASP A 46 3.369 0.855 8.580 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.109 0.671 9.755 1.00 0.00 O ATOM 712 OD2 ASP A 46 2.755 1.629 7.877 1.00 0.00 O ATOM 0 H ASP A 46 6.307 -1.561 7.347 1.00 0.00 H new ATOM 0 HA ASP A 46 5.871 0.294 9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.041 0.695 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.067 -0.759 7.335 1.00 0.00 H new ATOM 717 N GLY A 47 5.160 -1.570 11.095 1.00 0.00 N ATOM 718 CA GLY A 47 4.656 -2.571 12.010 1.00 0.00 C ATOM 719 C GLY A 47 3.160 -2.473 12.152 1.00 0.00 C ATOM 720 O GLY A 47 2.453 -3.461 11.973 1.00 0.00 O ATOM 0 H GLY A 47 5.837 -0.925 11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.926 -3.564 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.126 -2.446 12.986 1.00 0.00 H new ATOM 724 N GLY A 48 2.667 -1.279 12.423 1.00 0.00 N ATOM 725 CA GLY A 48 1.236 -1.087 12.598 1.00 0.00 C ATOM 726 C GLY A 48 0.490 -1.544 11.369 1.00 0.00 C ATOM 727 O GLY A 48 -0.471 -2.303 11.457 1.00 0.00 O ATOM 0 H GLY A 48 3.228 -0.434 12.526 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.892 -1.645 13.469 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.024 -0.035 12.789 1.00 0.00 H new ATOM 731 N SER A 49 0.988 -1.173 10.210 1.00 0.00 N ATOM 732 CA SER A 49 0.394 -1.639 8.984 1.00 0.00 C ATOM 733 C SER A 49 0.503 -3.150 8.882 1.00 0.00 C ATOM 734 O SER A 49 -0.436 -3.820 8.452 1.00 0.00 O ATOM 735 CB SER A 49 0.998 -0.938 7.779 1.00 0.00 C ATOM 736 OG SER A 49 0.535 0.426 7.763 1.00 0.00 O ATOM 0 H SER A 49 1.793 -0.557 10.094 1.00 0.00 H new ATOM 0 HA SER A 49 -0.666 -1.386 8.995 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.086 -0.968 7.830 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.708 -1.447 6.860 1.00 0.00 H new ATOM 0 HG SER A 49 1.267 1.017 7.487 1.00 0.00 H new ATOM 742 N ALA A 50 1.587 -3.701 9.410 1.00 0.00 N ATOM 743 CA ALA A 50 1.739 -5.139 9.465 1.00 0.00 C ATOM 744 C ALA A 50 0.655 -5.729 10.349 1.00 0.00 C ATOM 745 O ALA A 50 0.078 -6.773 10.032 1.00 0.00 O ATOM 746 CB ALA A 50 3.126 -5.523 10.000 1.00 0.00 C ATOM 0 H ALA A 50 2.367 -3.174 9.803 1.00 0.00 H new ATOM 0 HA ALA A 50 1.644 -5.540 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.216 -6.609 10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.895 -5.114 9.344 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.253 -5.119 11.004 1.00 0.00 H new ATOM 752 N LYS A 51 0.320 -5.012 11.412 1.00 0.00 N ATOM 753 CA LYS A 51 -0.707 -5.461 12.350 1.00 0.00 C ATOM 754 C LYS A 51 -2.030 -5.578 11.624 1.00 0.00 C ATOM 755 O LYS A 51 -2.872 -6.400 11.976 1.00 0.00 O ATOM 756 CB LYS A 51 -0.866 -4.459 13.511 1.00 0.00 C ATOM 757 CG LYS A 51 0.474 -4.257 14.232 1.00 0.00 C ATOM 758 CD LYS A 51 0.970 -5.572 14.826 1.00 0.00 C ATOM 759 CE LYS A 51 2.317 -5.337 15.510 1.00 0.00 C ATOM 760 NZ LYS A 51 3.315 -4.898 14.492 1.00 0.00 N ATOM 0 H LYS A 51 0.743 -4.115 11.649 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.406 -6.427 12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.228 -3.505 13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.613 -4.824 14.215 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.213 -3.866 13.533 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.359 -3.515 15.023 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.246 -5.957 15.544 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.072 -6.323 14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.216 -4.580 16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.655 -6.251 15.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.206 -5.415 14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.948 -5.095 13.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.488 -3.877 14.593 1.00 0.00 H new ATOM 774 N ARG A 52 -2.235 -4.702 10.662 1.00 0.00 N ATOM 775 CA ARG A 52 -3.500 -4.635 9.946 1.00 0.00 C ATOM 776 C ARG A 52 -3.412 -5.419 8.645 1.00 0.00 C ATOM 777 O ARG A 52 -4.271 -5.271 7.772 1.00 0.00 O ATOM 778 CB ARG A 52 -3.827 -3.191 9.590 1.00 0.00 C ATOM 779 CG ARG A 52 -3.855 -2.303 10.835 1.00 0.00 C ATOM 780 CD ARG A 52 -4.426 -0.943 10.433 1.00 0.00 C ATOM 781 NE ARG A 52 -3.688 -0.424 9.280 1.00 0.00 N ATOM 782 CZ ARG A 52 -2.446 0.055 9.372 1.00 0.00 C ATOM 783 NH1 ARG A 52 -1.870 0.159 10.538 1.00 0.00 N ATOM 784 NH2 ARG A 52 -1.807 0.415 8.290 1.00 0.00 N ATOM 0 H ARG A 52 -1.540 -4.022 10.354 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.271 -5.054 10.592 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.086 -2.811 8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.794 -3.148 9.089 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.467 -2.758 11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.851 -2.189 11.244 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.484 -1.039 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.354 -0.246 11.268 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.143 -0.429 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.369 -0.126 11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.921 0.525 10.607 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.258 0.329 7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.857 0.782 8.357 1.00 0.00 H new ATOM 798 N ASP A 53 -2.300 -6.120 8.450 1.00 0.00 N ATOM 799 CA ASP A 53 -2.040 -6.811 7.183 1.00 0.00 C ATOM 800 C ASP A 53 -1.863 -5.801 6.063 1.00 0.00 C ATOM 801 O ASP A 53 -2.326 -6.013 4.936 1.00 0.00 O ATOM 802 CB ASP A 53 -3.182 -7.775 6.818 1.00 0.00 C ATOM 803 CG ASP A 53 -3.226 -8.966 7.747 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.174 -9.490 8.057 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.308 -9.351 8.128 1.00 0.00 O ATOM 0 H ASP A 53 -1.564 -6.227 9.148 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.126 -7.391 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.133 -7.245 6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.054 -8.119 5.791 1.00 0.00 H new ATOM 810 N GLY A 54 -1.238 -4.687 6.385 1.00 0.00 N ATOM 811 CA GLY A 54 -1.002 -3.623 5.424 1.00 0.00 C ATOM 812 C GLY A 54 -2.247 -2.784 5.223 1.00 0.00 C ATOM 813 O GLY A 54 -2.167 -1.644 4.764 1.00 0.00 O ATOM 0 H GLY A 54 -0.878 -4.491 7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.185 -2.990 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.691 -4.052 4.471 1.00 0.00 H new ATOM 817 N SER A 55 -3.396 -3.347 5.565 1.00 0.00 N ATOM 818 CA SER A 55 -4.670 -2.675 5.375 1.00 0.00 C ATOM 819 C SER A 55 -4.678 -1.300 6.040 1.00 0.00 C ATOM 820 O SER A 55 -4.910 -1.170 7.251 1.00 0.00 O ATOM 821 CB SER A 55 -5.802 -3.542 5.937 1.00 0.00 C ATOM 822 OG SER A 55 -5.478 -4.922 5.739 1.00 0.00 O ATOM 0 H SER A 55 -3.471 -4.276 5.979 1.00 0.00 H new ATOM 0 HA SER A 55 -4.823 -2.528 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.941 -3.337 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.742 -3.301 5.440 1.00 0.00 H new ATOM 0 HG SER A 55 -5.163 -5.308 6.583 1.00 0.00 H new ATOM 828 N LEU A 56 -4.457 -0.272 5.246 1.00 0.00 N ATOM 829 CA LEU A 56 -4.552 1.084 5.727 1.00 0.00 C ATOM 830 C LEU A 56 -6.000 1.388 6.034 1.00 0.00 C ATOM 831 O LEU A 56 -6.311 2.165 6.936 1.00 0.00 O ATOM 832 CB LEU A 56 -4.022 2.072 4.688 1.00 0.00 C ATOM 833 CG LEU A 56 -2.521 1.829 4.447 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.014 2.810 3.399 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.723 2.004 5.742 1.00 0.00 C ATOM 0 H LEU A 56 -4.209 -0.355 4.260 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.946 1.187 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.572 1.959 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.183 3.094 5.031 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.386 0.806 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.951 2.641 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.561 2.663 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.166 3.830 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.666 1.827 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.857 3.018 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.077 1.291 6.487 1.00 0.00 H new ATOM 847 N GLY A 57 -6.868 0.874 5.174 1.00 0.00 N ATOM 848 CA GLY A 57 -8.281 1.187 5.223 1.00 0.00 C ATOM 849 C GLY A 57 -8.529 2.388 4.342 1.00 0.00 C ATOM 850 O GLY A 57 -7.820 2.577 3.357 1.00 0.00 O ATOM 0 H GLY A 57 -6.609 0.230 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.871 0.337 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.589 1.397 6.247 1.00 0.00 H new ATOM 854 N TYR A 58 -9.461 3.239 4.738 1.00 0.00 N ATOM 855 CA TYR A 58 -9.724 4.473 4.003 1.00 0.00 C ATOM 856 C TYR A 58 -8.731 5.524 4.472 1.00 0.00 C ATOM 857 O TYR A 58 -8.614 5.760 5.683 1.00 0.00 O ATOM 858 CB TYR A 58 -11.119 5.015 4.357 1.00 0.00 C ATOM 859 CG TYR A 58 -12.229 4.083 3.924 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.385 2.829 4.529 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.119 4.484 2.921 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.422 1.982 4.134 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.160 3.640 2.529 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.312 2.385 3.133 1.00 0.00 C ATOM 865 OH TYR A 58 -15.340 1.544 2.744 1.00 0.00 O ATOM 0 H TYR A 58 -10.048 3.102 5.561 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.648 4.269 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.181 5.174 5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.259 5.987 3.883 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.701 2.516 5.304 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.000 5.448 2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.537 1.015 4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.849 3.955 1.759 1.00 0.00 H new ATOM 0 HH TYR A 58 -16.000 2.051 2.226 1.00 0.00 H new ATOM 875 N PHE A 59 -8.099 6.226 3.551 1.00 0.00 N ATOM 876 CA PHE A 59 -7.206 7.319 3.948 1.00 0.00 C ATOM 877 C PHE A 59 -7.301 8.487 2.990 1.00 0.00 C ATOM 878 O PHE A 59 -7.557 8.306 1.805 1.00 0.00 O ATOM 879 CB PHE A 59 -5.755 6.839 4.047 1.00 0.00 C ATOM 880 CG PHE A 59 -5.226 6.418 2.692 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.362 5.098 2.263 1.00 0.00 C ATOM 882 CD2 PHE A 59 -4.566 7.346 1.885 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.843 4.706 1.032 1.00 0.00 C ATOM 884 CE2 PHE A 59 -4.051 6.956 0.644 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.184 5.632 0.222 1.00 0.00 C ATOM 0 H PHE A 59 -8.177 6.072 2.546 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.529 7.656 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.132 7.636 4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.692 6.001 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.871 4.378 2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.453 8.367 2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.951 3.683 0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.552 7.677 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.777 5.325 -0.730 1.00 0.00 H new ATOM 895 N GLY A 60 -7.087 9.685 3.503 1.00 0.00 N ATOM 896 CA GLY A 60 -7.139 10.892 2.685 1.00 0.00 C ATOM 897 C GLY A 60 -5.741 11.314 2.269 1.00 0.00 C ATOM 898 O GLY A 60 -4.748 10.743 2.738 1.00 0.00 O ATOM 0 H GLY A 60 -6.874 9.853 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.749 10.712 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.617 11.697 3.244 1.00 0.00 H new ATOM 902 N ARG A 61 -5.659 12.323 1.415 1.00 0.00 N ATOM 903 CA ARG A 61 -4.374 12.834 0.949 1.00 0.00 C ATOM 904 C ARG A 61 -3.768 13.791 1.966 1.00 0.00 C ATOM 905 O ARG A 61 -4.485 14.364 2.796 1.00 0.00 O ATOM 906 CB ARG A 61 -4.518 13.558 -0.392 1.00 0.00 C ATOM 907 CG ARG A 61 -4.983 12.581 -1.480 1.00 0.00 C ATOM 908 CD ARG A 61 -5.075 13.336 -2.807 1.00 0.00 C ATOM 909 NE ARG A 61 -6.137 14.342 -2.752 1.00 0.00 N ATOM 910 CZ ARG A 61 -6.244 15.308 -3.667 1.00 0.00 C ATOM 911 NH1 ARG A 61 -5.387 15.377 -4.645 1.00 0.00 N ATOM 912 NH2 ARG A 61 -7.201 16.180 -3.579 1.00 0.00 N ATOM 0 H ARG A 61 -6.469 12.807 1.028 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.715 11.975 0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.234 14.374 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.564 14.002 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.284 11.749 -1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.952 12.157 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.121 13.817 -3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.272 12.635 -3.618 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.816 14.304 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.634 14.693 -4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.469 16.115 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.870 16.127 -2.811 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.284 16.919 -4.278 1.00 0.00 H new ATOM 926 N GLY A 62 -2.460 13.996 1.876 1.00 0.00 N ATOM 927 CA GLY A 62 -1.766 14.952 2.744 1.00 0.00 C ATOM 928 C GLY A 62 -0.625 14.292 3.489 1.00 0.00 C ATOM 929 O GLY A 62 0.543 14.417 3.101 1.00 0.00 O ATOM 0 H GLY A 62 -1.854 13.515 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.382 15.778 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.472 15.377 3.458 1.00 0.00 H new ATOM 933 N LYS A 63 -0.962 13.543 4.526 1.00 0.00 N ATOM 934 CA LYS A 63 0.038 12.815 5.294 1.00 0.00 C ATOM 935 C LYS A 63 0.737 11.813 4.407 1.00 0.00 C ATOM 936 O LYS A 63 1.953 11.637 4.478 1.00 0.00 O ATOM 937 CB LYS A 63 -0.599 12.097 6.486 1.00 0.00 C ATOM 938 CG LYS A 63 -1.050 13.121 7.533 1.00 0.00 C ATOM 939 CD LYS A 63 -1.706 12.390 8.711 1.00 0.00 C ATOM 940 CE LYS A 63 -2.089 13.400 9.794 1.00 0.00 C ATOM 941 NZ LYS A 63 -0.856 13.971 10.394 1.00 0.00 N ATOM 0 H LYS A 63 -1.919 13.422 4.856 1.00 0.00 H new ATOM 0 HA LYS A 63 0.764 13.533 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.452 11.506 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.116 11.403 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.196 13.702 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.754 13.825 7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.592 11.853 8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.020 11.647 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.700 14.195 9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.690 12.915 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.080 14.380 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.145 13.220 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.479 14.713 9.771 1.00 0.00 H new ATOM 955 N MET A 64 -0.031 11.191 3.548 1.00 0.00 N ATOM 956 CA MET A 64 0.498 10.222 2.611 1.00 0.00 C ATOM 957 C MET A 64 1.411 10.933 1.634 1.00 0.00 C ATOM 958 O MET A 64 1.176 12.092 1.292 1.00 0.00 O ATOM 959 CB MET A 64 -0.648 9.590 1.833 1.00 0.00 C ATOM 960 CG MET A 64 -1.707 9.070 2.806 1.00 0.00 C ATOM 961 SD MET A 64 -1.031 7.719 3.793 1.00 0.00 S ATOM 962 CE MET A 64 -1.659 6.369 2.765 1.00 0.00 C ATOM 0 H MET A 64 -1.038 11.339 3.476 1.00 0.00 H new ATOM 0 HA MET A 64 1.047 9.452 3.153 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.089 10.323 1.158 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.274 8.773 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.040 9.877 3.459 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.581 8.725 2.254 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.964 5.530 2.801 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.632 6.050 3.138 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.760 6.712 1.735 1.00 0.00 H new ATOM 972 N VAL A 65 2.436 10.250 1.170 1.00 0.00 N ATOM 973 CA VAL A 65 3.339 10.842 0.204 1.00 0.00 C ATOM 974 C VAL A 65 2.717 10.796 -1.195 1.00 0.00 C ATOM 975 O VAL A 65 2.068 9.811 -1.557 1.00 0.00 O ATOM 976 CB VAL A 65 4.722 10.166 0.254 1.00 0.00 C ATOM 977 CG1 VAL A 65 5.298 10.318 1.666 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.602 8.680 -0.068 1.00 0.00 C ATOM 0 H VAL A 65 2.664 9.294 1.442 1.00 0.00 H new ATOM 0 HA VAL A 65 3.496 11.890 0.460 1.00 0.00 H new ATOM 0 HB VAL A 65 5.373 10.639 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.278 9.843 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.397 11.377 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.630 9.843 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.589 8.218 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.948 8.201 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.184 8.557 -1.067 1.00 0.00 H new ATOM 988 N LYS A 66 2.842 11.892 -1.934 1.00 0.00 N ATOM 989 CA LYS A 66 2.189 12.022 -3.236 1.00 0.00 C ATOM 990 C LYS A 66 2.329 10.756 -4.076 1.00 0.00 C ATOM 991 O LYS A 66 1.335 10.254 -4.591 1.00 0.00 O ATOM 992 CB LYS A 66 2.738 13.227 -4.013 1.00 0.00 C ATOM 993 CG LYS A 66 2.180 14.534 -3.425 1.00 0.00 C ATOM 994 CD LYS A 66 0.729 14.745 -3.904 1.00 0.00 C ATOM 995 CE LYS A 66 -0.103 15.406 -2.796 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.106 14.541 -1.590 1.00 0.00 N ATOM 0 H LYS A 66 3.390 12.706 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 66 1.129 12.180 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.827 13.234 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.464 13.146 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.211 14.496 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.800 15.376 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.720 15.369 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.286 13.788 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.310 16.385 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.124 15.568 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.083 14.269 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.457 13.686 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.306 15.061 -0.789 1.00 0.00 H new ATOM 1010 N PRO A 67 3.520 10.222 -4.230 1.00 0.00 N ATOM 1011 CA PRO A 67 3.676 8.989 -5.063 1.00 0.00 C ATOM 1012 C PRO A 67 2.800 7.859 -4.528 1.00 0.00 C ATOM 1013 O PRO A 67 2.187 7.107 -5.302 1.00 0.00 O ATOM 1014 CB PRO A 67 5.170 8.634 -4.923 1.00 0.00 C ATOM 1015 CG PRO A 67 5.607 9.319 -3.673 1.00 0.00 C ATOM 1016 CD PRO A 67 4.819 10.622 -3.637 1.00 0.00 C ATOM 0 HA PRO A 67 3.374 9.141 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.316 7.556 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.741 8.980 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.398 8.708 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.680 9.508 -3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.703 10.999 -2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.305 11.408 -4.215 1.00 0.00 H new ATOM 1024 N PHE A 68 2.691 7.797 -3.209 1.00 0.00 N ATOM 1025 CA PHE A 68 1.832 6.819 -2.554 1.00 0.00 C ATOM 1026 C PHE A 68 0.383 7.064 -2.940 1.00 0.00 C ATOM 1027 O PHE A 68 -0.338 6.141 -3.326 1.00 0.00 O ATOM 1028 CB PHE A 68 1.978 6.920 -1.027 1.00 0.00 C ATOM 1029 CG PHE A 68 1.263 5.773 -0.366 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.124 5.815 -0.193 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.987 4.654 0.058 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -0.782 4.744 0.417 1.00 0.00 C ATOM 1033 CE2 PHE A 68 1.329 3.588 0.661 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.056 3.631 0.838 1.00 0.00 C ATOM 0 H PHE A 68 3.189 8.415 -2.568 1.00 0.00 H new ATOM 0 HA PHE A 68 2.131 5.821 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.033 6.909 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.567 7.867 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.686 6.674 -0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.057 4.618 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.852 4.778 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.889 2.726 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.566 2.800 1.302 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.030 8.326 -2.846 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.404 8.701 -3.154 1.00 0.00 C ATOM 1046 C GLU A 69 -1.678 8.437 -4.620 1.00 0.00 C ATOM 1047 O GLU A 69 -2.679 7.798 -4.991 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.600 10.204 -2.882 1.00 0.00 C ATOM 1049 CG GLU A 69 -1.490 10.504 -1.375 1.00 0.00 C ATOM 1050 CD GLU A 69 -1.568 12.013 -1.119 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.683 12.763 -2.074 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -1.501 12.410 0.023 1.00 0.00 O ATOM 0 H GLU A 69 0.566 9.102 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.084 8.118 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.851 10.778 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.576 10.521 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.291 9.997 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.549 10.112 -0.988 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.748 8.870 -5.451 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.855 8.710 -6.885 1.00 0.00 C ATOM 1061 C ASP A 70 -1.016 7.255 -7.236 1.00 0.00 C ATOM 1062 O ASP A 70 -1.908 6.891 -7.996 1.00 0.00 O ATOM 1063 CB ASP A 70 0.396 9.268 -7.577 1.00 0.00 C ATOM 1064 CG ASP A 70 0.362 8.945 -9.050 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.192 9.718 -9.801 1.00 0.00 O ATOM 1066 OD2 ASP A 70 0.873 7.915 -9.418 1.00 0.00 O ATOM 0 H ASP A 70 0.103 9.343 -5.148 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.730 9.261 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.449 10.347 -7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.292 8.843 -7.124 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.167 6.421 -6.661 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.226 4.990 -6.916 1.00 0.00 C ATOM 1073 C ALA A 71 -1.534 4.408 -6.413 1.00 0.00 C ATOM 1074 O ALA A 71 -2.125 3.542 -7.056 1.00 0.00 O ATOM 1075 CB ALA A 71 0.951 4.274 -6.247 1.00 0.00 C ATOM 0 H ALA A 71 0.570 6.708 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.166 4.839 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.889 3.205 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.888 4.665 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.915 4.442 -5.171 1.00 0.00 H new ATOM 1081 N ALA A 72 -1.967 4.865 -5.252 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.177 4.344 -4.635 1.00 0.00 C ATOM 1083 C ALA A 72 -4.389 4.536 -5.532 1.00 0.00 C ATOM 1084 O ALA A 72 -5.184 3.612 -5.722 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.417 5.016 -3.285 1.00 0.00 C ATOM 0 H ALA A 72 -1.500 5.596 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.035 3.274 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.326 4.616 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.571 4.822 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.526 6.091 -3.428 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.526 5.728 -6.093 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.670 6.021 -6.961 1.00 0.00 C ATOM 1093 C PHE A 73 -5.658 5.137 -8.203 1.00 0.00 C ATOM 1094 O PHE A 73 -6.707 4.790 -8.751 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.678 7.487 -7.397 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.092 8.375 -6.249 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.427 8.401 -5.834 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.141 9.171 -5.599 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -7.812 9.232 -4.777 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.527 9.996 -4.541 1.00 0.00 C ATOM 1101 CZ PHE A 73 -6.860 10.028 -4.127 1.00 0.00 C ATOM 0 H PHE A 73 -3.873 6.502 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.568 5.816 -6.379 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.687 7.774 -7.748 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.364 7.620 -8.234 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.160 7.781 -6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.109 9.147 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.845 9.260 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.793 10.611 -4.042 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.157 10.665 -3.307 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.480 4.867 -8.707 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.333 4.124 -9.948 1.00 0.00 C ATOM 1113 C ARG A 74 -4.842 2.695 -9.801 1.00 0.00 C ATOM 1114 O ARG A 74 -5.096 2.015 -10.798 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.868 4.119 -10.383 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.454 5.554 -10.704 1.00 0.00 C ATOM 1117 CD ARG A 74 -0.986 5.603 -11.133 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.545 6.991 -11.212 1.00 0.00 N ATOM 1119 CZ ARG A 74 -0.761 7.763 -12.269 1.00 0.00 C ATOM 1120 NH1 ARG A 74 -1.385 7.292 -13.304 1.00 0.00 N ATOM 1121 NH2 ARG A 74 -0.365 9.002 -12.250 1.00 0.00 N ATOM 0 H ARG A 74 -3.599 5.150 -8.278 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.934 4.617 -10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.239 3.711 -9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.734 3.481 -11.257 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.085 5.952 -11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.605 6.187 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.370 5.055 -10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.863 5.116 -12.100 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.046 7.388 -10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.711 6.326 -13.307 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.550 7.888 -14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.108 9.374 -11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.527 9.602 -13.059 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.891 2.207 -8.572 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.233 0.808 -8.327 1.00 0.00 C ATOM 1137 C LEU A 75 -6.694 0.603 -7.994 1.00 0.00 C ATOM 1138 O LEU A 75 -7.058 -0.458 -7.525 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.413 0.254 -7.184 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.933 0.445 -7.468 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.158 -0.050 -6.274 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.520 -0.350 -8.711 1.00 0.00 C ATOM 0 H LEU A 75 -4.700 2.752 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.015 0.284 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.682 0.757 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.632 -0.805 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.727 1.500 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.091 0.077 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.447 0.520 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.375 -1.106 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.457 -0.202 -8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.716 -1.410 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.093 -0.004 -9.571 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.510 1.625 -8.144 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.928 1.533 -7.767 1.00 0.00 C ATOM 1156 C GLN A 76 -9.555 0.205 -8.226 1.00 0.00 C ATOM 1157 O GLN A 76 -10.501 -0.289 -7.612 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.700 2.728 -8.328 1.00 0.00 C ATOM 1159 CG GLN A 76 -9.233 4.009 -7.611 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.894 4.122 -6.255 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -9.614 3.323 -5.357 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -10.757 5.059 -6.042 1.00 0.00 N ATOM 0 H GLN A 76 -7.230 2.530 -8.521 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.990 1.556 -6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.531 2.815 -9.401 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.771 2.585 -8.184 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.149 3.994 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.477 4.882 -8.216 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.987 5.719 -6.785 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.208 5.139 -5.131 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.973 -0.386 -9.261 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.401 -1.689 -9.774 1.00 0.00 C ATOM 1173 C VAL A 77 -9.216 -2.816 -8.729 1.00 0.00 C ATOM 1174 O VAL A 77 -9.835 -3.881 -8.836 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.643 -2.006 -11.080 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.133 -2.067 -10.815 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.113 -3.347 -11.662 1.00 0.00 C ATOM 0 H VAL A 77 -8.190 0.021 -9.772 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.469 -1.637 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.852 -1.213 -11.798 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.609 -2.291 -11.744 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.792 -1.106 -10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.923 -2.847 -10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.568 -3.555 -12.583 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.924 -4.143 -10.941 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.181 -3.297 -11.876 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.312 -2.607 -7.775 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.997 -3.612 -6.750 1.00 0.00 C ATOM 1189 C GLY A 78 -6.571 -4.109 -6.901 1.00 0.00 C ATOM 1190 O GLY A 78 -6.157 -5.069 -6.231 1.00 0.00 O ATOM 0 H GLY A 78 -7.777 -1.743 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.133 -3.181 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.689 -4.450 -6.831 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.862 -3.515 -7.837 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.528 -3.951 -8.234 1.00 0.00 C ATOM 1196 C GLU A 79 -3.452 -3.605 -7.211 1.00 0.00 C ATOM 1197 O GLU A 79 -3.722 -2.951 -6.196 1.00 0.00 O ATOM 1198 CB GLU A 79 -4.163 -3.373 -9.599 1.00 0.00 C ATOM 1199 CG GLU A 79 -4.146 -4.483 -10.654 1.00 0.00 C ATOM 1200 CD GLU A 79 -2.714 -4.846 -10.980 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -2.010 -5.267 -10.085 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -2.336 -4.693 -12.120 1.00 0.00 O ATOM 0 H GLU A 79 -6.196 -2.702 -8.355 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.564 -5.039 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.882 -2.604 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.186 -2.893 -9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.679 -5.359 -10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.663 -4.151 -11.555 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.234 -4.074 -7.500 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.063 -3.823 -6.663 1.00 0.00 C ATOM 1211 C VAL A 80 -0.162 -2.800 -7.355 1.00 0.00 C ATOM 1212 O VAL A 80 0.130 -2.915 -8.554 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.273 -5.125 -6.438 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.627 -4.994 -5.209 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.228 -6.303 -6.237 1.00 0.00 C ATOM 0 H VAL A 80 -2.035 -4.640 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.394 -3.440 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 80 0.341 -5.305 -7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.180 -5.922 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.329 -4.173 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.015 -4.793 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.652 -7.215 -6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.858 -6.116 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.855 -6.418 -7.121 1.00 0.00 H new ATOM 1225 N SER A 81 0.246 -1.795 -6.625 1.00 0.00 N ATOM 1226 CA SER A 81 1.094 -0.756 -7.179 1.00 0.00 C ATOM 1227 C SER A 81 2.495 -1.270 -7.355 1.00 0.00 C ATOM 1228 O SER A 81 2.975 -2.046 -6.528 1.00 0.00 O ATOM 1229 CB SER A 81 1.135 0.439 -6.225 1.00 0.00 C ATOM 1230 OG SER A 81 0.931 -0.031 -4.902 1.00 0.00 O ATOM 0 H SER A 81 0.007 -1.668 -5.641 1.00 0.00 H new ATOM 0 HA SER A 81 0.687 -0.455 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.094 0.951 -6.301 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.365 1.163 -6.492 1.00 0.00 H new ATOM 0 HG SER A 81 -0.029 -0.141 -4.738 1.00 0.00 H new ATOM 1236 N GLU A 82 3.207 -0.691 -8.301 1.00 0.00 N ATOM 1237 CA GLU A 82 4.626 -0.904 -8.393 1.00 0.00 C ATOM 1238 C GLU A 82 5.246 -0.237 -7.184 1.00 0.00 C ATOM 1239 O GLU A 82 4.559 0.494 -6.468 1.00 0.00 O ATOM 1240 CB GLU A 82 5.194 -0.275 -9.673 1.00 0.00 C ATOM 1241 CG GLU A 82 4.246 -0.531 -10.844 1.00 0.00 C ATOM 1242 CD GLU A 82 3.292 0.627 -11.001 1.00 0.00 C ATOM 1243 OE1 GLU A 82 2.462 0.809 -10.137 1.00 0.00 O ATOM 1244 OE2 GLU A 82 3.407 1.328 -11.975 1.00 0.00 O ATOM 0 H GLU A 82 2.821 -0.071 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 82 4.847 -1.971 -8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.330 0.797 -9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.176 -0.695 -9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.818 -0.668 -11.762 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.688 -1.452 -10.676 1.00 0.00 H new ATOM 1251 N PRO A 83 6.498 -0.432 -6.946 1.00 0.00 N ATOM 1252 CA PRO A 83 7.144 0.184 -5.751 1.00 0.00 C ATOM 1253 C PRO A 83 6.926 1.695 -5.727 1.00 0.00 C ATOM 1254 O PRO A 83 7.180 2.386 -6.717 1.00 0.00 O ATOM 1255 CB PRO A 83 8.631 -0.122 -5.957 1.00 0.00 C ATOM 1256 CG PRO A 83 8.657 -1.339 -6.819 1.00 0.00 C ATOM 1257 CD PRO A 83 7.440 -1.243 -7.732 1.00 0.00 C ATOM 0 HA PRO A 83 6.742 -0.200 -4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.143 0.712 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.133 -0.301 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.577 -1.383 -7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.619 -2.245 -6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.685 -0.769 -8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.030 -2.226 -7.963 1.00 0.00 H new ATOM 1265 N VAL A 84 6.526 2.201 -4.577 1.00 0.00 N ATOM 1266 CA VAL A 84 6.348 3.623 -4.371 1.00 0.00 C ATOM 1267 C VAL A 84 7.441 4.112 -3.435 1.00 0.00 C ATOM 1268 O VAL A 84 7.460 3.754 -2.261 1.00 0.00 O ATOM 1269 CB VAL A 84 4.965 3.884 -3.755 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.746 5.385 -3.529 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.871 3.341 -4.680 1.00 0.00 C ATOM 0 H VAL A 84 6.315 1.634 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 84 6.411 4.155 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 84 4.916 3.374 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.761 5.547 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.510 5.766 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.811 5.910 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.893 3.530 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.933 3.839 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.008 2.268 -4.814 1.00 0.00 H new ATOM 1281 N LYS A 85 8.398 4.836 -3.970 1.00 0.00 N ATOM 1282 CA LYS A 85 9.536 5.261 -3.177 1.00 0.00 C ATOM 1283 C LYS A 85 9.178 6.459 -2.318 1.00 0.00 C ATOM 1284 O LYS A 85 8.579 7.425 -2.806 1.00 0.00 O ATOM 1285 CB LYS A 85 10.732 5.592 -4.077 1.00 0.00 C ATOM 1286 CG LYS A 85 12.038 5.300 -3.333 1.00 0.00 C ATOM 1287 CD LYS A 85 12.544 6.542 -2.588 1.00 0.00 C ATOM 1288 CE LYS A 85 13.816 6.161 -1.817 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.828 5.606 -2.762 1.00 0.00 N ATOM 0 H LYS A 85 8.415 5.142 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 85 9.814 4.436 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.684 5.002 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.698 6.641 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.881 4.487 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.795 4.964 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.754 7.347 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.781 6.910 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.220 7.036 -1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.580 5.426 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.779 5.711 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.632 4.598 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.780 6.121 -3.664 1.00 0.00 H new ATOM 1303 N SER A 86 9.570 6.407 -1.063 1.00 0.00 N ATOM 1304 CA SER A 86 9.350 7.482 -0.135 1.00 0.00 C ATOM 1305 C SER A 86 10.607 7.666 0.696 1.00 0.00 C ATOM 1306 O SER A 86 11.498 6.797 0.699 1.00 0.00 O ATOM 1307 CB SER A 86 8.166 7.143 0.778 1.00 0.00 C ATOM 1308 OG SER A 86 8.611 6.291 1.835 1.00 0.00 O ATOM 0 H SER A 86 10.055 5.606 -0.659 1.00 0.00 H new ATOM 0 HA SER A 86 9.123 8.402 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.736 8.056 1.189 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.380 6.650 0.205 1.00 0.00 H new ATOM 0 HG SER A 86 7.846 5.802 2.205 1.00 0.00 H new ATOM 1314 N GLU A 87 10.668 8.747 1.435 1.00 0.00 N ATOM 1315 CA GLU A 87 11.793 8.978 2.319 1.00 0.00 C ATOM 1316 C GLU A 87 11.848 7.841 3.324 1.00 0.00 C ATOM 1317 O GLU A 87 12.917 7.383 3.722 1.00 0.00 O ATOM 1318 CB GLU A 87 11.656 10.329 3.066 1.00 0.00 C ATOM 1319 CG GLU A 87 10.372 11.072 2.637 1.00 0.00 C ATOM 1320 CD GLU A 87 10.384 11.364 1.145 1.00 0.00 C ATOM 1321 OE1 GLU A 87 11.403 11.787 0.643 1.00 0.00 O ATOM 1322 OE2 GLU A 87 9.373 11.138 0.525 1.00 0.00 O ATOM 0 H GLU A 87 9.958 9.479 1.445 1.00 0.00 H new ATOM 0 HA GLU A 87 12.709 9.018 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.636 10.153 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.527 10.952 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.499 10.470 2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.285 12.005 3.193 1.00 0.00 H new ATOM 1329 N PHE A 88 10.672 7.365 3.688 1.00 0.00 N ATOM 1330 CA PHE A 88 10.513 6.249 4.599 1.00 0.00 C ATOM 1331 C PHE A 88 11.015 4.948 3.995 1.00 0.00 C ATOM 1332 O PHE A 88 11.548 4.097 4.701 1.00 0.00 O ATOM 1333 CB PHE A 88 9.048 6.108 4.996 1.00 0.00 C ATOM 1334 CG PHE A 88 8.697 7.214 5.957 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.995 7.076 7.316 1.00 0.00 C ATOM 1336 CD2 PHE A 88 8.095 8.388 5.493 1.00 0.00 C ATOM 1337 CE1 PHE A 88 8.684 8.107 8.211 1.00 0.00 C ATOM 1338 CE2 PHE A 88 7.785 9.417 6.384 1.00 0.00 C ATOM 1339 CZ PHE A 88 8.080 9.279 7.743 1.00 0.00 C ATOM 0 H PHE A 88 9.788 7.749 3.354 1.00 0.00 H new ATOM 0 HA PHE A 88 11.115 6.455 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.411 6.159 4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.874 5.137 5.459 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.466 6.173 7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.869 8.499 4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.910 7.998 9.261 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.317 10.321 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.842 10.076 8.431 1.00 0.00 H new ATOM 1349 N GLY A 89 10.773 4.753 2.718 1.00 0.00 N ATOM 1350 CA GLY A 89 11.154 3.506 2.074 1.00 0.00 C ATOM 1351 C GLY A 89 10.314 3.262 0.844 1.00 0.00 C ATOM 1352 O GLY A 89 9.797 4.202 0.244 1.00 0.00 O ATOM 0 H GLY A 89 10.319 5.431 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.208 3.540 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.033 2.678 2.773 1.00 0.00 H new ATOM 1356 N TYR A 90 10.174 2.008 0.467 1.00 0.00 N ATOM 1357 CA TYR A 90 9.395 1.662 -0.704 1.00 0.00 C ATOM 1358 C TYR A 90 8.069 1.083 -0.280 1.00 0.00 C ATOM 1359 O TYR A 90 8.026 0.139 0.495 1.00 0.00 O ATOM 1360 CB TYR A 90 10.171 0.641 -1.545 1.00 0.00 C ATOM 1361 CG TYR A 90 11.411 1.303 -2.074 1.00 0.00 C ATOM 1362 CD1 TYR A 90 12.546 1.403 -1.264 1.00 0.00 C ATOM 1363 CD2 TYR A 90 11.421 1.851 -3.362 1.00 0.00 C ATOM 1364 CE1 TYR A 90 13.690 2.045 -1.739 1.00 0.00 C ATOM 1365 CE2 TYR A 90 12.565 2.495 -3.837 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.700 2.590 -3.025 1.00 0.00 C ATOM 1367 OH TYR A 90 14.817 3.247 -3.485 1.00 0.00 O ATOM 0 H TYR A 90 10.588 1.213 0.953 1.00 0.00 H new ATOM 0 HA TYR A 90 9.214 2.556 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.434 -0.227 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.554 0.281 -2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 90 12.537 0.983 -0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 90 10.544 1.776 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.567 2.120 -1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 90 12.574 2.919 -4.830 1.00 0.00 H new ATOM 0 HH TYR A 90 14.657 3.564 -4.399 1.00 0.00 H new ATOM 1377 N HIS A 91 6.992 1.637 -0.795 1.00 0.00 N ATOM 1378 CA HIS A 91 5.667 1.147 -0.466 1.00 0.00 C ATOM 1379 C HIS A 91 5.092 0.359 -1.614 1.00 0.00 C ATOM 1380 O HIS A 91 5.175 0.783 -2.771 1.00 0.00 O ATOM 1381 CB HIS A 91 4.695 2.290 -0.128 1.00 0.00 C ATOM 1382 CG HIS A 91 5.270 3.226 0.898 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.648 3.439 2.118 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.376 4.040 0.892 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.377 4.352 2.792 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.440 4.746 2.088 1.00 0.00 N ATOM 0 H HIS A 91 7.006 2.425 -1.442 1.00 0.00 H new ATOM 0 HA HIS A 91 5.781 0.511 0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.458 2.846 -1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.759 1.873 0.244 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.794 2.988 2.446 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.087 4.120 0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.131 4.718 3.778 1.00 0.00 H new ATOM 1394 N VAL A 92 4.374 -0.685 -1.279 1.00 0.00 N ATOM 1395 CA VAL A 92 3.575 -1.412 -2.237 1.00 0.00 C ATOM 1396 C VAL A 92 2.134 -1.269 -1.790 1.00 0.00 C ATOM 1397 O VAL A 92 1.830 -1.505 -0.621 1.00 0.00 O ATOM 1398 CB VAL A 92 3.985 -2.894 -2.244 1.00 0.00 C ATOM 1399 CG1 VAL A 92 2.989 -3.719 -3.068 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.392 -3.042 -2.824 1.00 0.00 C ATOM 0 H VAL A 92 4.327 -1.057 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 92 3.713 -1.025 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 92 3.980 -3.264 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.292 -4.766 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.994 -3.628 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.972 -3.350 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.676 -4.094 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.407 -2.660 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.098 -2.477 -2.215 1.00 0.00 H new ATOM 1410 N ILE A 93 1.277 -0.805 -2.671 1.00 0.00 N ATOM 1411 CA ILE A 93 -0.098 -0.542 -2.305 1.00 0.00 C ATOM 1412 C ILE A 93 -1.020 -1.449 -3.071 1.00 0.00 C ATOM 1413 O ILE A 93 -1.021 -1.430 -4.301 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.472 0.922 -2.632 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.448 1.877 -1.880 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.923 1.191 -2.210 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.220 3.298 -2.399 1.00 0.00 C ATOM 0 H ILE A 93 1.506 -0.602 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.202 -0.720 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.363 1.081 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.246 1.830 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.489 1.587 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.184 2.224 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.590 0.518 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.027 1.022 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.874 3.989 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.443 3.336 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.819 3.583 -2.235 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.903 -2.106 -2.364 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.985 -2.809 -3.002 1.00 0.00 C ATOM 1431 C LYS A 94 -4.277 -2.086 -2.704 1.00 0.00 C ATOM 1432 O LYS A 94 -4.509 -1.655 -1.566 1.00 0.00 O ATOM 1433 CB LYS A 94 -3.104 -4.264 -2.543 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.279 -4.893 -3.311 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.517 -6.330 -2.870 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.674 -6.921 -3.689 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.689 -5.861 -4.000 1.00 0.00 N ATOM 0 H LYS A 94 -1.894 -2.169 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.778 -2.828 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.180 -4.807 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.277 -4.315 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.182 -4.305 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.073 -4.867 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.613 -6.922 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.754 -6.363 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.291 -7.349 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.144 -7.732 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.609 -6.307 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.779 -5.217 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.384 -5.323 -4.836 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.145 -2.011 -3.688 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.449 -1.404 -3.491 1.00 0.00 C ATOM 1453 C ARG A 95 -7.371 -2.377 -2.766 1.00 0.00 C ATOM 1454 O ARG A 95 -7.322 -3.600 -3.012 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.045 -0.946 -4.832 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.538 -0.610 -4.682 1.00 0.00 C ATOM 1457 CD ARG A 95 -8.738 0.612 -3.772 1.00 0.00 C ATOM 1458 NE ARG A 95 -9.977 0.446 -3.014 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.136 0.988 -3.385 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.185 1.835 -4.377 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.215 0.689 -2.729 1.00 0.00 N ATOM 0 H ARG A 95 -4.976 -2.361 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.338 -0.516 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.506 -0.071 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.918 -1.730 -5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.970 -0.412 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.068 -1.468 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.892 0.717 -3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.782 1.523 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.953 -0.112 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.331 2.087 -4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.077 2.245 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.170 0.045 -1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.108 1.098 -3.003 1.00 0.00 H new ATOM 1475 N LEU A 96 -8.083 -1.853 -1.782 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.899 -2.641 -0.882 1.00 0.00 C ATOM 1477 C LEU A 96 -10.358 -2.184 -0.938 1.00 0.00 C ATOM 1478 O LEU A 96 -10.640 -1.003 -1.183 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.344 -2.495 0.543 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.127 -3.372 1.521 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -8.947 -4.855 1.166 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -8.607 -3.121 2.937 1.00 0.00 C ATOM 0 H LEU A 96 -8.109 -0.852 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.867 -3.688 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.291 -2.775 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.401 -1.452 0.856 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.186 -3.123 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.509 -5.468 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.313 -5.034 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.890 -5.117 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.159 -3.742 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.547 -3.371 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.744 -2.071 3.194 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.280 -3.123 -0.788 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.708 -2.817 -0.836 1.00 0.00 C ATOM 1496 C GLY A 97 -13.325 -2.880 0.560 1.00 0.00 C ATOM 1497 O GLY A 97 -14.404 -2.358 0.736 1.00 0.00 O ATOM 1498 OXT GLY A 97 -12.709 -3.453 1.435 1.00 0.00 O ATOM 0 H GLY A 97 -11.067 -4.108 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.857 -1.824 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.214 -3.524 -1.494 1.00 0.00 H new