USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 667 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 58 MET CE :methyl 158:sc= -4.68! (180deg=-4.42!) USER MOD Set 1.2: A 64 SER OG : rot 130:sc= -0.692 USER MOD Set 1.3: A 68 LYS NZ :NH3+ -142:sc= -0.952 (180deg=-3.09!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 179:sc= -0.829 (180deg=-0.858) USER MOD Set 2.2: A 52 ASN :FLIP amide:sc= -2.11! C(o=-5.8!,f=-2.9!) USER MOD Set 3.1: A 11 MET CE :methyl -106:sc= -2.13 (180deg=-5.24!) USER MOD Set 3.2: A 14 SER OG : rot -45:sc= 0.718 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0542 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -1.7! C(o=-2.3!,f=-1.7!) USER MOD Single : A 20 GLN : amide:sc= -0.301 X(o=-0.3,f=0.007) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.74 F(o=-3.7,f=-1.7) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.6!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -9.32! C(o=-9.9!,f=-9.3!) USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.789! USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= 1.1 (180deg=-0.995) USER MOD Single : A 44 THR OG1 : rot 64:sc= 1.11 USER MOD Single : A 46 MET CE :methyl 126:sc= -4.41! (180deg=-6.93!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00444 X(o=-0.0044,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.11) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot -70:sc= -0.693 USER MOD Single : B 9 ASN : amide:sc= -0.432 K(o=-0.43,f=-3.3) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot -120:sc= -0.758 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.146 -7.187 -12.182 1.00 0.00 N ATOM 95 CA THR A 8 -3.969 -6.001 -11.975 1.00 0.00 C ATOM 96 C THR A 8 -5.040 -5.890 -13.046 1.00 0.00 C ATOM 97 O THR A 8 -6.177 -5.516 -12.756 1.00 0.00 O ATOM 98 CB THR A 8 -3.092 -4.745 -11.986 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.836 -4.321 -13.313 1.00 0.00 O ATOM 100 CG2 THR A 8 -1.752 -4.942 -11.303 1.00 0.00 C ATOM 0 HA THR A 8 -4.459 -6.091 -11.005 1.00 0.00 H new ATOM 0 HB THR A 8 -3.659 -3.995 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.276 -3.517 -13.297 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.181 -4.014 -11.347 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.912 -5.221 -10.261 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.198 -5.733 -11.809 1.00 0.00 H new ATOM 108 N ALA A 9 -4.695 -6.240 -14.276 1.00 0.00 N ATOM 109 CA ALA A 9 -5.664 -6.197 -15.356 1.00 0.00 C ATOM 110 C ALA A 9 -6.834 -7.111 -15.022 1.00 0.00 C ATOM 111 O ALA A 9 -7.952 -6.649 -14.795 1.00 0.00 O ATOM 112 CB ALA A 9 -5.018 -6.603 -16.673 1.00 0.00 C ATOM 0 H ALA A 9 -3.763 -6.553 -14.547 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.031 -5.177 -15.468 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.761 -6.564 -17.470 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.202 -5.918 -16.904 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.628 -7.617 -16.589 1.00 0.00 H new ATOM 118 N SER A 10 -6.573 -8.413 -15.024 1.00 0.00 N ATOM 119 CA SER A 10 -7.609 -9.404 -14.749 1.00 0.00 C ATOM 120 C SER A 10 -8.279 -9.177 -13.394 1.00 0.00 C ATOM 121 O SER A 10 -9.439 -9.551 -13.206 1.00 0.00 O ATOM 122 CB SER A 10 -7.009 -10.812 -14.798 1.00 0.00 C ATOM 123 OG SER A 10 -6.197 -11.059 -13.664 1.00 0.00 O ATOM 0 H SER A 10 -5.652 -8.808 -15.213 1.00 0.00 H new ATOM 0 HA SER A 10 -8.374 -9.298 -15.518 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.809 -11.551 -14.844 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.417 -10.927 -15.706 1.00 0.00 H new ATOM 0 HG SER A 10 -5.827 -11.965 -13.718 1.00 0.00 H new ATOM 129 N MET A 11 -7.571 -8.557 -12.452 1.00 0.00 N ATOM 130 CA MET A 11 -8.153 -8.312 -11.137 1.00 0.00 C ATOM 131 C MET A 11 -9.352 -7.387 -11.263 1.00 0.00 C ATOM 132 O MET A 11 -10.398 -7.617 -10.658 1.00 0.00 O ATOM 133 CB MET A 11 -7.120 -7.712 -10.185 1.00 0.00 C ATOM 134 CG MET A 11 -6.606 -8.702 -9.150 1.00 0.00 C ATOM 135 SD MET A 11 -7.775 -8.967 -7.802 1.00 0.00 S ATOM 136 CE MET A 11 -8.788 -10.280 -8.477 1.00 0.00 C ATOM 0 H MET A 11 -6.615 -8.222 -12.571 1.00 0.00 H new ATOM 0 HA MET A 11 -8.481 -9.266 -10.724 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.278 -7.334 -10.765 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.562 -6.858 -9.672 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.396 -9.655 -9.637 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.663 -8.338 -8.742 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.757 -9.877 -8.772 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.293 -10.710 -9.348 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.932 -11.053 -7.722 1.00 0.00 H new ATOM 146 N LEU A 12 -9.199 -6.350 -12.063 1.00 0.00 N ATOM 147 CA LEU A 12 -10.279 -5.402 -12.283 1.00 0.00 C ATOM 148 C LEU A 12 -11.511 -6.123 -12.818 1.00 0.00 C ATOM 149 O LEU A 12 -12.565 -6.130 -12.181 1.00 0.00 O ATOM 150 CB LEU A 12 -9.837 -4.300 -13.256 1.00 0.00 C ATOM 151 CG LEU A 12 -10.357 -2.892 -12.940 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.643 -2.613 -13.704 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.584 -2.725 -11.446 1.00 0.00 C ATOM 0 H LEU A 12 -8.340 -6.141 -12.572 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.533 -4.937 -11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.748 -4.271 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.165 -4.573 -14.259 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.602 -2.172 -13.256 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.997 -1.610 -13.467 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.453 -2.687 -14.775 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.401 -3.342 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.953 -1.719 -11.244 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.318 -3.456 -11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.644 -2.880 -10.916 1.00 0.00 H new ATOM 165 N ALA A 13 -11.362 -6.752 -13.979 1.00 0.00 N ATOM 166 CA ALA A 13 -12.450 -7.506 -14.596 1.00 0.00 C ATOM 167 C ALA A 13 -12.745 -8.805 -13.837 1.00 0.00 C ATOM 168 O ALA A 13 -13.506 -9.648 -14.311 1.00 0.00 O ATOM 169 CB ALA A 13 -12.109 -7.820 -16.036 1.00 0.00 C ATOM 0 H ALA A 13 -10.494 -6.755 -14.515 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.346 -6.886 -14.556 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.925 -8.382 -16.489 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.960 -6.891 -16.586 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.196 -8.414 -16.072 1.00 0.00 H new ATOM 175 N SER A 14 -12.155 -8.948 -12.656 1.00 0.00 N ATOM 176 CA SER A 14 -12.371 -10.132 -11.828 1.00 0.00 C ATOM 177 C SER A 14 -13.431 -9.871 -10.757 1.00 0.00 C ATOM 178 O SER A 14 -13.649 -10.705 -9.878 1.00 0.00 O ATOM 179 CB SER A 14 -11.066 -10.585 -11.168 1.00 0.00 C ATOM 180 OG SER A 14 -11.310 -11.579 -10.188 1.00 0.00 O ATOM 0 H SER A 14 -11.523 -8.259 -12.249 1.00 0.00 H new ATOM 0 HA SER A 14 -12.727 -10.927 -12.483 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.388 -10.976 -11.926 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.571 -9.730 -10.708 1.00 0.00 H new ATOM 0 HG SER A 14 -12.069 -11.309 -9.630 1.00 0.00 H new ATOM 186 N ALA A 15 -14.101 -8.721 -10.840 1.00 0.00 N ATOM 187 CA ALA A 15 -15.145 -8.377 -9.883 1.00 0.00 C ATOM 188 C ALA A 15 -16.328 -7.712 -10.584 1.00 0.00 C ATOM 189 O ALA A 15 -16.171 -7.124 -11.653 1.00 0.00 O ATOM 190 CB ALA A 15 -14.586 -7.472 -8.806 1.00 0.00 C ATOM 0 H ALA A 15 -13.938 -8.016 -11.559 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.503 -9.295 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.374 -7.221 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.777 -7.984 -8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.203 -6.558 -9.261 1.00 0.00 H new ATOM 196 N PRO A 16 -17.535 -7.815 -9.991 1.00 0.00 N ATOM 197 CA PRO A 16 -18.759 -7.239 -10.550 1.00 0.00 C ATOM 198 C PRO A 16 -18.538 -5.861 -11.182 1.00 0.00 C ATOM 199 O PRO A 16 -17.457 -5.280 -11.072 1.00 0.00 O ATOM 200 CB PRO A 16 -19.696 -7.121 -9.341 1.00 0.00 C ATOM 201 CG PRO A 16 -19.077 -7.913 -8.227 1.00 0.00 C ATOM 202 CD PRO A 16 -17.799 -8.526 -8.736 1.00 0.00 C ATOM 0 HA PRO A 16 -19.152 -7.859 -11.356 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.820 -6.078 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.687 -7.505 -9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.875 -7.270 -7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.762 -8.690 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.983 -8.395 -8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.909 -9.598 -8.901 1.00 0.00 H new ATOM 210 N PRO A 17 -19.567 -5.318 -11.855 1.00 0.00 N ATOM 211 CA PRO A 17 -19.480 -4.009 -12.511 1.00 0.00 C ATOM 212 C PRO A 17 -18.878 -2.927 -11.616 1.00 0.00 C ATOM 213 O PRO A 17 -17.788 -2.435 -11.883 1.00 0.00 O ATOM 214 CB PRO A 17 -20.936 -3.685 -12.850 1.00 0.00 C ATOM 215 CG PRO A 17 -21.595 -5.014 -12.993 1.00 0.00 C ATOM 216 CD PRO A 17 -20.895 -5.937 -12.031 1.00 0.00 C ATOM 0 HA PRO A 17 -18.820 -4.038 -13.378 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.404 -3.094 -12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.009 -3.106 -13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.659 -4.947 -12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.511 -5.382 -14.016 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.431 -6.010 -11.085 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.816 -6.948 -12.432 1.00 0.00 H new ATOM 224 N GLN A 18 -19.602 -2.548 -10.566 1.00 0.00 N ATOM 225 CA GLN A 18 -19.142 -1.509 -9.643 1.00 0.00 C ATOM 226 C GLN A 18 -18.020 -2.006 -8.742 1.00 0.00 C ATOM 227 O GLN A 18 -17.371 -1.212 -8.059 1.00 0.00 O ATOM 228 CB GLN A 18 -20.306 -0.988 -8.793 1.00 0.00 C ATOM 229 CG GLN A 18 -21.056 -2.073 -8.035 1.00 0.00 C ATOM 230 CD GLN A 18 -22.177 -2.702 -8.844 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.954 -1.875 -9.537 1.00 0.00 O flip ATOM 232 NE2 GLN A 18 -22.343 -3.922 -8.847 1.00 0.00 N flip ATOM 0 H GLN A 18 -20.512 -2.945 -10.331 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.747 -0.693 -10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.923 -0.260 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.007 -0.461 -9.440 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.353 -2.850 -7.735 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.471 -1.648 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.725 -4.522 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.099 -4.332 -9.395 1.00 0.00 H new ATOM 241 N GLU A 19 -17.770 -3.306 -8.756 1.00 0.00 N ATOM 242 CA GLU A 19 -16.698 -3.869 -7.950 1.00 0.00 C ATOM 243 C GLU A 19 -15.404 -3.856 -8.747 1.00 0.00 C ATOM 244 O GLU A 19 -14.604 -4.783 -8.677 1.00 0.00 O ATOM 245 CB GLU A 19 -17.039 -5.294 -7.502 1.00 0.00 C ATOM 246 CG GLU A 19 -17.867 -5.339 -6.226 1.00 0.00 C ATOM 247 CD GLU A 19 -17.242 -6.215 -5.157 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.333 -5.731 -4.451 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.662 -7.384 -5.028 1.00 0.00 O ATOM 0 H GLU A 19 -18.289 -3.986 -9.311 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.575 -3.260 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.585 -5.798 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.115 -5.850 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.986 -4.327 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.865 -5.711 -6.458 1.00 0.00 H new ATOM 256 N GLN A 20 -15.180 -2.763 -9.464 1.00 0.00 N ATOM 257 CA GLN A 20 -13.950 -2.603 -10.226 1.00 0.00 C ATOM 258 C GLN A 20 -12.783 -2.411 -9.265 1.00 0.00 C ATOM 259 O GLN A 20 -12.047 -3.348 -8.952 1.00 0.00 O ATOM 260 CB GLN A 20 -14.032 -1.426 -11.222 1.00 0.00 C ATOM 261 CG GLN A 20 -15.431 -0.872 -11.437 1.00 0.00 C ATOM 262 CD GLN A 20 -15.509 0.099 -12.601 1.00 0.00 C ATOM 263 OE1 GLN A 20 -16.446 0.056 -13.398 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.523 0.984 -12.704 1.00 0.00 N ATOM 0 H GLN A 20 -15.829 -1.979 -9.534 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.797 -3.506 -10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.388 -0.622 -10.867 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.634 -1.752 -12.183 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.120 -1.698 -11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.761 -0.369 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.765 0.985 -12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.524 1.662 -13.466 1.00 0.00 H new ATOM 273 N LYS A 21 -12.642 -1.178 -8.794 1.00 0.00 N ATOM 274 CA LYS A 21 -11.585 -0.810 -7.848 1.00 0.00 C ATOM 275 C LYS A 21 -11.944 -1.214 -6.419 1.00 0.00 C ATOM 276 O LYS A 21 -11.333 -0.733 -5.464 1.00 0.00 O ATOM 277 CB LYS A 21 -11.305 0.696 -7.907 1.00 0.00 C ATOM 278 CG LYS A 21 -11.965 1.402 -9.078 1.00 0.00 C ATOM 279 CD LYS A 21 -11.466 0.873 -10.412 1.00 0.00 C ATOM 280 CE LYS A 21 -9.958 0.988 -10.530 1.00 0.00 C ATOM 281 NZ LYS A 21 -9.478 2.364 -10.227 1.00 0.00 N ATOM 0 H LYS A 21 -13.253 -0.404 -9.054 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.686 -1.353 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.647 1.155 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.228 0.853 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.046 1.273 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.768 2.472 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.762 -0.170 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.938 1.427 -11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.486 0.281 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.651 0.711 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.441 2.395 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.895 3.034 -10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.762 2.626 -9.262 1.00 0.00 H new ATOM 295 N GLN A 22 -12.923 -2.098 -6.270 1.00 0.00 N ATOM 296 CA GLN A 22 -13.344 -2.545 -4.946 1.00 0.00 C ATOM 297 C GLN A 22 -12.210 -3.246 -4.220 1.00 0.00 C ATOM 298 O GLN A 22 -11.795 -2.821 -3.141 1.00 0.00 O ATOM 299 CB GLN A 22 -14.554 -3.477 -5.043 1.00 0.00 C ATOM 300 CG GLN A 22 -15.868 -2.817 -4.644 1.00 0.00 C ATOM 301 CD GLN A 22 -16.127 -2.827 -3.143 1.00 0.00 C ATOM 302 OE1 GLN A 22 -15.071 -2.922 -2.339 1.00 0.00 O flip ATOM 303 NE2 GLN A 22 -17.276 -2.743 -2.709 1.00 0.00 N flip ATOM 0 H GLN A 22 -13.438 -2.518 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.627 -1.660 -4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.638 -3.844 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.385 -4.345 -4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.868 -1.786 -4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.689 -3.327 -5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -18.062 -2.672 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.442 -2.745 -1.703 1.00 0.00 H new ATOM 312 N MET A 23 -11.717 -4.320 -4.810 1.00 0.00 N ATOM 313 CA MET A 23 -10.637 -5.078 -4.211 1.00 0.00 C ATOM 314 C MET A 23 -9.371 -4.225 -4.109 1.00 0.00 C ATOM 315 O MET A 23 -9.205 -3.466 -3.157 1.00 0.00 O ATOM 316 CB MET A 23 -10.383 -6.354 -5.023 1.00 0.00 C ATOM 317 CG MET A 23 -11.622 -7.216 -5.201 1.00 0.00 C ATOM 318 SD MET A 23 -11.629 -8.656 -4.116 1.00 0.00 S ATOM 319 CE MET A 23 -13.147 -9.454 -4.630 1.00 0.00 C ATOM 0 H MET A 23 -12.048 -4.686 -5.703 1.00 0.00 H new ATOM 0 HA MET A 23 -10.923 -5.365 -3.199 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.997 -6.080 -6.005 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.609 -6.942 -4.529 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.510 -6.614 -5.005 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.684 -7.547 -6.238 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.294 -10.364 -4.049 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.987 -8.779 -4.465 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.086 -9.705 -5.689 1.00 0.00 H new ATOM 329 N LEU A 24 -8.484 -4.361 -5.089 1.00 0.00 N ATOM 330 CA LEU A 24 -7.231 -3.614 -5.110 1.00 0.00 C ATOM 331 C LEU A 24 -7.433 -2.106 -5.229 1.00 0.00 C ATOM 332 O LEU A 24 -6.995 -1.502 -6.207 1.00 0.00 O ATOM 333 CB LEU A 24 -6.319 -4.097 -6.237 1.00 0.00 C ATOM 334 CG LEU A 24 -6.989 -4.764 -7.437 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.839 -3.767 -8.209 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.929 -5.383 -8.335 1.00 0.00 C ATOM 0 H LEU A 24 -8.611 -4.986 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.757 -3.806 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.748 -3.242 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.603 -4.802 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.652 -5.551 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.305 -4.267 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.613 -3.365 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.209 -2.953 -8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.409 -5.858 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.250 -4.606 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.367 -6.129 -7.773 1.00 0.00 H new ATOM 348 N GLY A 25 -8.064 -1.497 -4.229 1.00 0.00 N ATOM 349 CA GLY A 25 -8.274 -0.059 -4.250 1.00 0.00 C ATOM 350 C GLY A 25 -8.437 0.508 -5.651 1.00 0.00 C ATOM 351 O GLY A 25 -8.965 -0.160 -6.539 1.00 0.00 O ATOM 0 H GLY A 25 -8.433 -1.972 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.162 0.179 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.430 0.431 -3.764 1.00 0.00 H new ATOM 355 N GLU A 26 -7.964 1.735 -5.851 1.00 0.00 N ATOM 356 CA GLU A 26 -8.040 2.379 -7.156 1.00 0.00 C ATOM 357 C GLU A 26 -7.011 1.763 -8.109 1.00 0.00 C ATOM 358 O GLU A 26 -7.312 0.838 -8.862 1.00 0.00 O ATOM 359 CB GLU A 26 -7.823 3.902 -7.050 1.00 0.00 C ATOM 360 CG GLU A 26 -7.198 4.360 -5.740 1.00 0.00 C ATOM 361 CD GLU A 26 -5.735 4.003 -5.659 1.00 0.00 C ATOM 362 OE1 GLU A 26 -4.918 4.721 -6.267 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.406 2.987 -5.010 1.00 0.00 O ATOM 0 H GLU A 26 -7.525 2.302 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.042 2.213 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.186 4.224 -7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.783 4.403 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.314 5.439 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.730 3.904 -4.905 1.00 0.00 H new ATOM 370 N ARG A 27 -5.798 2.310 -8.065 1.00 0.00 N ATOM 371 CA ARG A 27 -4.698 1.860 -8.913 1.00 0.00 C ATOM 372 C ARG A 27 -3.371 1.832 -8.150 1.00 0.00 C ATOM 373 O ARG A 27 -2.304 1.713 -8.753 1.00 0.00 O ATOM 374 CB ARG A 27 -4.564 2.791 -10.123 1.00 0.00 C ATOM 375 CG ARG A 27 -4.494 2.062 -11.454 1.00 0.00 C ATOM 376 CD ARG A 27 -5.880 1.700 -11.963 1.00 0.00 C ATOM 377 NE ARG A 27 -6.273 2.506 -13.119 1.00 0.00 N ATOM 378 CZ ARG A 27 -7.495 2.494 -13.645 1.00 0.00 C ATOM 379 NH1 ARG A 27 -8.430 1.707 -13.135 1.00 0.00 N ATOM 380 NH2 ARG A 27 -7.783 3.262 -14.686 1.00 0.00 N ATOM 0 H ARG A 27 -5.551 3.078 -7.440 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.925 0.845 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.412 3.475 -10.139 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.667 3.398 -10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.988 2.689 -12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.898 1.156 -11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.901 0.645 -12.234 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.607 1.838 -11.162 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.571 3.111 -13.545 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.214 1.109 -12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.366 1.699 -13.540 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.066 3.866 -15.088 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.721 3.249 -15.085 1.00 0.00 H new ATOM 394 N LEU A 28 -3.430 1.949 -6.827 1.00 0.00 N ATOM 395 CA LEU A 28 -2.219 1.948 -6.012 1.00 0.00 C ATOM 396 C LEU A 28 -1.640 0.552 -5.840 1.00 0.00 C ATOM 397 O LEU A 28 -0.440 0.346 -6.026 1.00 0.00 O ATOM 398 CB LEU A 28 -2.508 2.563 -4.653 1.00 0.00 C ATOM 399 CG LEU A 28 -2.437 4.079 -4.642 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.119 4.636 -3.408 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.988 4.534 -4.735 1.00 0.00 C ATOM 0 H LEU A 28 -4.297 2.045 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.473 2.546 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.501 2.252 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.796 2.169 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.968 4.467 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.058 5.724 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.166 4.332 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.625 4.253 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.947 5.623 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.429 4.143 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.548 4.162 -5.660 1.00 0.00 H new ATOM 413 N PHE A 29 -2.491 -0.406 -5.490 1.00 0.00 N ATOM 414 CA PHE A 29 -2.042 -1.787 -5.306 1.00 0.00 C ATOM 415 C PHE A 29 -1.136 -2.214 -6.462 1.00 0.00 C ATOM 416 O PHE A 29 -0.063 -2.767 -6.241 1.00 0.00 O ATOM 417 CB PHE A 29 -3.247 -2.725 -5.191 1.00 0.00 C ATOM 418 CG PHE A 29 -2.992 -4.014 -4.445 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.014 -4.121 -3.469 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.762 -5.127 -4.723 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.822 -5.322 -2.798 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.576 -6.319 -4.056 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.604 -6.417 -3.093 1.00 0.00 C ATOM 0 H PHE A 29 -3.487 -0.257 -5.329 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.467 -1.846 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.057 -2.191 -4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.595 -2.968 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.398 -3.267 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.528 -5.062 -5.481 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.055 -5.398 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.194 -7.173 -4.291 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.452 -7.349 -2.568 1.00 0.00 H new ATOM 433 N PRO A 30 -1.551 -1.938 -7.712 1.00 0.00 N ATOM 434 CA PRO A 30 -0.765 -2.279 -8.903 1.00 0.00 C ATOM 435 C PRO A 30 0.620 -1.635 -8.887 1.00 0.00 C ATOM 436 O PRO A 30 1.625 -2.285 -9.181 1.00 0.00 O ATOM 437 CB PRO A 30 -1.583 -1.694 -10.062 1.00 0.00 C ATOM 438 CG PRO A 30 -2.962 -1.529 -9.527 1.00 0.00 C ATOM 439 CD PRO A 30 -2.808 -1.259 -8.060 1.00 0.00 C ATOM 0 HA PRO A 30 -0.597 -3.354 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.172 -0.739 -10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.573 -2.359 -10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.477 -0.706 -10.023 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.557 -2.426 -9.698 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.757 -0.190 -7.853 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.648 -1.655 -7.489 1.00 0.00 H new ATOM 447 N LEU A 31 0.655 -0.347 -8.564 1.00 0.00 N ATOM 448 CA LEU A 31 1.908 0.406 -8.533 1.00 0.00 C ATOM 449 C LEU A 31 2.803 -0.044 -7.387 1.00 0.00 C ATOM 450 O LEU A 31 4.006 -0.303 -7.555 1.00 0.00 O ATOM 451 CB LEU A 31 1.615 1.899 -8.392 1.00 0.00 C ATOM 452 CG LEU A 31 0.519 2.434 -9.315 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.012 3.772 -8.820 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.048 2.561 -10.728 1.00 0.00 C ATOM 0 H LEU A 31 -0.170 0.200 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 31 2.432 0.217 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.330 2.102 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.533 2.454 -8.584 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.310 1.726 -9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.790 4.127 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.428 3.651 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.801 4.497 -8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.261 2.943 -11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.893 3.249 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.371 1.583 -11.085 1.00 0.00 H new ATOM 466 N ILE A 32 2.215 -0.150 -6.217 1.00 0.00 N ATOM 467 CA ILE A 32 2.966 -0.571 -5.064 1.00 0.00 C ATOM 468 C ILE A 32 3.385 -2.018 -5.229 1.00 0.00 C ATOM 469 O ILE A 32 4.506 -2.380 -4.890 1.00 0.00 O ATOM 470 CB ILE A 32 2.190 -0.367 -3.765 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.157 -0.520 -2.588 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.007 -1.321 -3.689 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.426 -1.950 -2.185 1.00 0.00 C ATOM 0 H ILE A 32 1.230 0.048 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 32 3.857 0.054 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 32 1.767 0.637 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.103 -0.044 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.754 0.017 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.468 -1.159 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.338 -1.139 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.366 -2.349 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.120 -1.967 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.491 -2.428 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.861 -2.489 -3.026 1.00 0.00 H new ATOM 485 N GLN A 33 2.504 -2.843 -5.797 1.00 0.00 N ATOM 486 CA GLN A 33 2.841 -4.237 -6.048 1.00 0.00 C ATOM 487 C GLN A 33 4.242 -4.303 -6.659 1.00 0.00 C ATOM 488 O GLN A 33 5.061 -5.150 -6.299 1.00 0.00 O ATOM 489 CB GLN A 33 1.834 -4.880 -7.006 1.00 0.00 C ATOM 490 CG GLN A 33 1.487 -6.316 -6.652 1.00 0.00 C ATOM 491 CD GLN A 33 2.048 -7.316 -7.642 1.00 0.00 C ATOM 492 OE1 GLN A 33 2.273 -6.994 -8.809 1.00 0.00 O ATOM 493 NE2 GLN A 33 2.277 -8.537 -7.178 1.00 0.00 N ATOM 0 H GLN A 33 1.565 -2.571 -6.087 1.00 0.00 H new ATOM 0 HA GLN A 33 2.811 -4.784 -5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.920 -4.285 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.239 -4.852 -8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.870 -6.543 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.403 -6.423 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.075 -8.758 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.655 -9.255 -7.796 1.00 0.00 H new ATOM 502 N ALA A 34 4.492 -3.383 -7.595 1.00 0.00 N ATOM 503 CA ALA A 34 5.776 -3.297 -8.286 1.00 0.00 C ATOM 504 C ALA A 34 6.930 -3.106 -7.318 1.00 0.00 C ATOM 505 O ALA A 34 8.032 -3.609 -7.540 1.00 0.00 O ATOM 506 CB ALA A 34 5.752 -2.162 -9.302 1.00 0.00 C ATOM 0 H ALA A 34 3.813 -2.682 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 34 5.933 -4.243 -8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.715 -2.108 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.965 -2.345 -10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.559 -1.219 -8.790 1.00 0.00 H new ATOM 512 N MET A 35 6.674 -2.370 -6.256 1.00 0.00 N ATOM 513 CA MET A 35 7.713 -2.102 -5.251 1.00 0.00 C ATOM 514 C MET A 35 7.585 -3.034 -4.045 1.00 0.00 C ATOM 515 O MET A 35 8.555 -3.675 -3.641 1.00 0.00 O ATOM 516 CB MET A 35 7.649 -0.647 -4.785 1.00 0.00 C ATOM 517 CG MET A 35 8.147 0.345 -5.823 1.00 0.00 C ATOM 518 SD MET A 35 9.944 0.489 -5.838 1.00 0.00 S ATOM 519 CE MET A 35 10.184 1.844 -4.693 1.00 0.00 C ATOM 0 H MET A 35 5.768 -1.945 -6.057 1.00 0.00 H new ATOM 0 HA MET A 35 8.677 -2.287 -5.725 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.619 -0.402 -4.525 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.242 -0.538 -3.877 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.803 0.036 -6.810 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.709 1.323 -5.625 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.249 2.053 -4.595 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.673 2.731 -5.067 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.777 1.574 -3.719 1.00 0.00 H new ATOM 529 N HIS A 36 6.384 -3.119 -3.490 1.00 0.00 N ATOM 530 CA HIS A 36 6.120 -3.992 -2.346 1.00 0.00 C ATOM 531 C HIS A 36 7.030 -3.694 -1.158 1.00 0.00 C ATOM 532 O HIS A 36 7.605 -4.608 -0.567 1.00 0.00 O ATOM 533 CB HIS A 36 6.273 -5.459 -2.752 1.00 0.00 C ATOM 534 CG HIS A 36 4.981 -6.095 -3.144 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.735 -5.582 -3.180 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.864 -7.408 -3.548 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.889 -6.581 -3.599 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.597 -7.673 -3.817 1.00 0.00 N flip ATOM 0 H HIS A 36 5.572 -2.593 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 36 5.095 -3.797 -2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.973 -5.528 -3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.709 -6.016 -1.922 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.680 -8.110 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.821 -6.488 -3.728 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.230 -8.569 -4.138 1.00 0.00 H new ATOM 546 N PRO A 37 7.162 -2.419 -0.762 1.00 0.00 N ATOM 547 CA PRO A 37 7.992 -2.064 0.382 1.00 0.00 C ATOM 548 C PRO A 37 7.434 -2.664 1.668 1.00 0.00 C ATOM 549 O PRO A 37 8.010 -3.596 2.231 1.00 0.00 O ATOM 550 CB PRO A 37 7.938 -0.532 0.423 1.00 0.00 C ATOM 551 CG PRO A 37 6.734 -0.151 -0.369 1.00 0.00 C ATOM 552 CD PRO A 37 6.511 -1.250 -1.370 1.00 0.00 C ATOM 0 HA PRO A 37 9.010 -2.444 0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.863 -0.170 1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.842 -0.097 -0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.865 -0.035 0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.887 0.804 -0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.449 -1.427 -1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.951 -1.005 -2.337 1.00 0.00 H new ATOM 560 N THR A 38 6.322 -2.110 2.142 1.00 0.00 N ATOM 561 CA THR A 38 5.701 -2.576 3.380 1.00 0.00 C ATOM 562 C THR A 38 4.590 -3.591 3.110 1.00 0.00 C ATOM 563 O THR A 38 4.665 -4.736 3.555 1.00 0.00 O ATOM 564 CB THR A 38 5.143 -1.389 4.182 1.00 0.00 C ATOM 565 OG1 THR A 38 3.823 -1.068 3.768 1.00 0.00 O ATOM 566 CG2 THR A 38 5.979 -0.128 4.069 1.00 0.00 C ATOM 0 H THR A 38 5.832 -1.339 1.689 1.00 0.00 H new ATOM 0 HA THR A 38 6.475 -3.073 3.965 1.00 0.00 H new ATOM 0 HB THR A 38 5.161 -1.722 5.220 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.324 -0.696 4.525 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.523 0.665 4.661 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.985 -0.324 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.030 0.182 3.025 1.00 0.00 H new ATOM 574 N LEU A 39 3.557 -3.161 2.392 1.00 0.00 N ATOM 575 CA LEU A 39 2.427 -4.030 2.077 1.00 0.00 C ATOM 576 C LEU A 39 1.546 -3.391 1.009 1.00 0.00 C ATOM 577 O LEU A 39 0.849 -2.415 1.280 1.00 0.00 O ATOM 578 CB LEU A 39 1.599 -4.298 3.339 1.00 0.00 C ATOM 579 CG LEU A 39 1.787 -5.683 3.962 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.047 -5.775 5.288 1.00 0.00 C ATOM 581 CD2 LEU A 39 1.307 -6.764 3.007 1.00 0.00 C ATOM 0 H LEU A 39 3.479 -2.216 2.017 1.00 0.00 H new ATOM 0 HA LEU A 39 2.814 -4.975 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.851 -3.545 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.544 -4.167 3.097 1.00 0.00 H new ATOM 0 HG LEU A 39 2.850 -5.836 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.191 -6.766 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.435 -5.022 5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.017 -5.602 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.448 -7.743 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.250 -6.614 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.879 -6.711 2.081 1.00 0.00 H new ATOM 593 N ALA A 40 1.570 -3.946 -0.201 1.00 0.00 N ATOM 594 CA ALA A 40 0.768 -3.425 -1.308 1.00 0.00 C ATOM 595 C ALA A 40 -0.704 -3.248 -0.928 1.00 0.00 C ATOM 596 O ALA A 40 -1.301 -2.211 -1.222 1.00 0.00 O ATOM 597 CB ALA A 40 0.935 -4.320 -2.534 1.00 0.00 C ATOM 0 H ALA A 40 2.138 -4.759 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 40 1.135 -2.428 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.336 -3.927 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.984 -4.342 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.605 -5.331 -2.294 1.00 0.00 H new ATOM 603 N GLY A 41 -1.300 -4.251 -0.301 1.00 0.00 N ATOM 604 CA GLY A 41 -2.701 -4.150 0.067 1.00 0.00 C ATOM 605 C GLY A 41 -2.998 -2.956 0.963 1.00 0.00 C ATOM 606 O GLY A 41 -3.724 -2.041 0.573 1.00 0.00 O ATOM 0 H GLY A 41 -0.846 -5.126 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.304 -4.076 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.003 -5.064 0.578 1.00 0.00 H new ATOM 610 N LYS A 42 -2.458 -2.987 2.174 1.00 0.00 N ATOM 611 CA LYS A 42 -2.681 -1.923 3.158 1.00 0.00 C ATOM 612 C LYS A 42 -2.116 -0.572 2.712 1.00 0.00 C ATOM 613 O LYS A 42 -2.734 0.472 2.933 1.00 0.00 O ATOM 614 CB LYS A 42 -2.063 -2.319 4.499 1.00 0.00 C ATOM 615 CG LYS A 42 -3.014 -3.086 5.401 1.00 0.00 C ATOM 616 CD LYS A 42 -2.893 -2.640 6.849 1.00 0.00 C ATOM 617 CE LYS A 42 -4.053 -1.746 7.256 1.00 0.00 C ATOM 618 NZ LYS A 42 -3.859 -0.338 6.808 1.00 0.00 N ATOM 0 H LYS A 42 -1.857 -3.742 2.505 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.760 -1.804 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.178 -2.928 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.730 -1.419 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.039 -2.940 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.803 -4.153 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.861 -3.515 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.954 -2.105 6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.978 -2.137 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.165 -1.769 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.799 0.285 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.980 -0.267 6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.663 -0.048 6.215 1.00 0.00 H new ATOM 632 N ILE A 43 -0.946 -0.591 2.087 1.00 0.00 N ATOM 633 CA ILE A 43 -0.310 0.640 1.622 1.00 0.00 C ATOM 634 C ILE A 43 -1.252 1.445 0.730 1.00 0.00 C ATOM 635 O ILE A 43 -1.343 2.666 0.837 1.00 0.00 O ATOM 636 CB ILE A 43 0.986 0.325 0.847 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.864 1.564 0.699 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.668 -0.256 -0.515 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.343 1.243 0.751 1.00 0.00 C ATOM 0 H ILE A 43 -0.418 -1.441 1.890 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.067 1.235 2.502 1.00 0.00 H new ATOM 0 HB ILE A 43 1.541 -0.415 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.636 2.055 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.622 2.272 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.596 -0.471 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.098 -1.177 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.081 0.461 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.919 2.162 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.581 0.778 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.595 0.557 -0.058 1.00 0.00 H new ATOM 651 N THR A 44 -1.943 0.739 -0.160 1.00 0.00 N ATOM 652 CA THR A 44 -2.873 1.365 -1.091 1.00 0.00 C ATOM 653 C THR A 44 -3.845 2.290 -0.367 1.00 0.00 C ATOM 654 O THR A 44 -4.081 3.415 -0.803 1.00 0.00 O ATOM 655 CB THR A 44 -3.637 0.292 -1.869 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.746 -0.491 -2.644 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.681 0.858 -2.807 1.00 0.00 C ATOM 0 H THR A 44 -1.875 -0.274 -0.255 1.00 0.00 H new ATOM 0 HA THR A 44 -2.297 1.971 -1.790 1.00 0.00 H new ATOM 0 HB THR A 44 -4.141 -0.309 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.139 -0.980 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.184 0.042 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.412 1.430 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.200 1.510 -3.536 1.00 0.00 H new ATOM 665 N GLY A 45 -4.396 1.818 0.747 1.00 0.00 N ATOM 666 CA GLY A 45 -5.325 2.631 1.505 1.00 0.00 C ATOM 667 C GLY A 45 -4.712 3.941 1.935 1.00 0.00 C ATOM 668 O GLY A 45 -5.372 4.981 1.930 1.00 0.00 O ATOM 0 H GLY A 45 -4.216 0.892 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.211 2.827 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.655 2.079 2.385 1.00 0.00 H new ATOM 672 N MET A 46 -3.442 3.890 2.306 1.00 0.00 N ATOM 673 CA MET A 46 -2.726 5.078 2.742 1.00 0.00 C ATOM 674 C MET A 46 -2.574 6.061 1.599 1.00 0.00 C ATOM 675 O MET A 46 -3.032 7.200 1.680 1.00 0.00 O ATOM 676 CB MET A 46 -1.360 4.696 3.289 1.00 0.00 C ATOM 677 CG MET A 46 -1.423 4.178 4.708 1.00 0.00 C ATOM 678 SD MET A 46 -2.159 2.539 4.820 1.00 0.00 S ATOM 679 CE MET A 46 -3.876 2.971 5.079 1.00 0.00 C ATOM 0 H MET A 46 -2.885 3.036 2.314 1.00 0.00 H new ATOM 0 HA MET A 46 -3.303 5.556 3.533 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.917 3.934 2.648 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.703 5.565 3.253 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.416 4.148 5.124 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.000 4.873 5.318 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.493 2.472 4.332 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.185 2.654 6.075 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.997 4.050 4.988 1.00 0.00 H new ATOM 689 N LEU A 47 -1.915 5.621 0.535 1.00 0.00 N ATOM 690 CA LEU A 47 -1.698 6.477 -0.606 1.00 0.00 C ATOM 691 C LEU A 47 -3.039 6.959 -1.153 1.00 0.00 C ATOM 692 O LEU A 47 -3.096 7.958 -1.869 1.00 0.00 O ATOM 693 CB LEU A 47 -0.929 5.740 -1.699 1.00 0.00 C ATOM 694 CG LEU A 47 0.498 5.289 -1.379 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.511 6.309 -1.888 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.705 5.016 0.101 1.00 0.00 C ATOM 0 H LEU A 47 -1.527 4.682 0.446 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.106 7.334 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.505 4.858 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.889 6.386 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 47 0.657 4.344 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.519 5.970 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.409 6.416 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.330 7.272 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.734 4.699 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.505 5.924 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.024 4.228 0.424 1.00 0.00 H new ATOM 708 N LEU A 48 -4.121 6.236 -0.825 1.00 0.00 N ATOM 709 CA LEU A 48 -5.465 6.591 -1.301 1.00 0.00 C ATOM 710 C LEU A 48 -5.904 7.977 -0.812 1.00 0.00 C ATOM 711 O LEU A 48 -7.093 8.296 -0.824 1.00 0.00 O ATOM 712 CB LEU A 48 -6.485 5.534 -0.842 1.00 0.00 C ATOM 713 CG LEU A 48 -7.244 4.814 -1.966 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.373 3.748 -2.597 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.531 4.191 -1.445 1.00 0.00 C ATOM 0 H LEU A 48 -4.091 5.405 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.425 6.620 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.963 4.787 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.212 6.016 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.501 5.555 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.927 3.248 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.478 4.209 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.086 3.018 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.048 3.688 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.295 3.468 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.173 4.971 -1.035 1.00 0.00 H new ATOM 727 N GLU A 49 -4.948 8.799 -0.393 1.00 0.00 N ATOM 728 CA GLU A 49 -5.237 10.138 0.084 1.00 0.00 C ATOM 729 C GLU A 49 -5.575 11.070 -1.079 1.00 0.00 C ATOM 730 O GLU A 49 -6.025 12.196 -0.870 1.00 0.00 O ATOM 731 CB GLU A 49 -4.026 10.679 0.845 1.00 0.00 C ATOM 732 CG GLU A 49 -4.382 11.662 1.942 1.00 0.00 C ATOM 733 CD GLU A 49 -4.413 13.098 1.453 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.995 13.344 0.302 1.00 0.00 O ATOM 735 OE2 GLU A 49 -4.856 13.977 2.222 1.00 0.00 O ATOM 0 H GLU A 49 -3.958 8.554 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.100 10.093 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.480 9.843 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.352 11.165 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.357 11.402 2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.658 11.574 2.752 1.00 0.00 H new ATOM 742 N ILE A 50 -5.342 10.602 -2.306 1.00 0.00 N ATOM 743 CA ILE A 50 -5.613 11.412 -3.485 1.00 0.00 C ATOM 744 C ILE A 50 -6.831 10.896 -4.267 1.00 0.00 C ATOM 745 O ILE A 50 -7.378 9.837 -3.954 1.00 0.00 O ATOM 746 CB ILE A 50 -4.357 11.508 -4.386 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.320 12.858 -5.100 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.274 10.362 -5.384 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.044 13.630 -4.853 1.00 0.00 C ATOM 0 H ILE A 50 -4.969 9.673 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.861 12.418 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.483 11.426 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.438 12.698 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.169 13.458 -4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.377 10.474 -5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.233 9.414 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.153 10.376 -6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.083 14.578 -5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.935 13.820 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.193 13.048 -5.207 1.00 0.00 H new ATOM 761 N ASP A 51 -7.233 11.644 -5.295 1.00 0.00 N ATOM 762 CA ASP A 51 -8.362 11.272 -6.140 1.00 0.00 C ATOM 763 C ASP A 51 -8.005 10.131 -7.089 1.00 0.00 C ATOM 764 O ASP A 51 -6.904 10.098 -7.638 1.00 0.00 O ATOM 765 CB ASP A 51 -8.850 12.484 -6.932 1.00 0.00 C ATOM 766 CG ASP A 51 -9.774 13.368 -6.116 1.00 0.00 C ATOM 767 OD1 ASP A 51 -9.266 14.253 -5.396 1.00 0.00 O ATOM 768 OD2 ASP A 51 -11.005 13.174 -6.197 1.00 0.00 O ATOM 0 H ASP A 51 -6.786 12.521 -5.562 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.163 10.922 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.992 13.068 -7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.371 12.145 -7.827 1.00 0.00 H new ATOM 773 N ASN A 52 -8.948 9.211 -7.307 1.00 0.00 N ATOM 774 CA ASN A 52 -8.727 8.091 -8.221 1.00 0.00 C ATOM 775 C ASN A 52 -8.113 8.569 -9.538 1.00 0.00 C ATOM 776 O ASN A 52 -7.442 7.809 -10.236 1.00 0.00 O ATOM 777 CB ASN A 52 -10.047 7.378 -8.519 1.00 0.00 C ATOM 778 CG ASN A 52 -9.837 6.012 -9.149 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.903 5.220 -9.220 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.732 5.675 -9.573 1.00 0.00 N flip ATOM 0 H ASN A 52 -9.867 9.220 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.037 7.401 -7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.613 7.266 -7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.647 7.995 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.941 6.314 -9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.608 4.757 -9.999 1.00 0.00 H new ATOM 787 N SER A 53 -8.370 9.830 -9.881 1.00 0.00 N ATOM 788 CA SER A 53 -7.870 10.403 -11.129 1.00 0.00 C ATOM 789 C SER A 53 -6.371 10.679 -11.073 1.00 0.00 C ATOM 790 O SER A 53 -5.682 10.624 -12.093 1.00 0.00 O ATOM 791 CB SER A 53 -8.621 11.694 -11.455 1.00 0.00 C ATOM 792 OG SER A 53 -9.828 11.421 -12.147 1.00 0.00 O ATOM 0 H SER A 53 -8.921 10.474 -9.313 1.00 0.00 H new ATOM 0 HA SER A 53 -8.043 9.668 -11.915 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.840 12.233 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.989 12.343 -12.061 1.00 0.00 H new ATOM 0 HG SER A 53 -10.291 12.263 -12.342 1.00 0.00 H new ATOM 798 N GLU A 54 -5.869 10.980 -9.885 1.00 0.00 N ATOM 799 CA GLU A 54 -4.452 11.269 -9.715 1.00 0.00 C ATOM 800 C GLU A 54 -3.623 9.991 -9.744 1.00 0.00 C ATOM 801 O GLU A 54 -2.626 9.906 -10.457 1.00 0.00 O ATOM 802 CB GLU A 54 -4.219 12.014 -8.403 1.00 0.00 C ATOM 803 CG GLU A 54 -4.162 13.525 -8.566 1.00 0.00 C ATOM 804 CD GLU A 54 -2.972 13.977 -9.388 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.826 13.786 -8.928 1.00 0.00 O ATOM 806 OE2 GLU A 54 -3.184 14.520 -10.492 1.00 0.00 O ATOM 0 H GLU A 54 -6.419 11.031 -9.027 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.135 11.899 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.017 11.762 -7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.285 11.669 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.080 13.870 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.118 13.992 -7.582 1.00 0.00 H new ATOM 813 N LEU A 55 -4.042 8.997 -8.972 1.00 0.00 N ATOM 814 CA LEU A 55 -3.327 7.727 -8.919 1.00 0.00 C ATOM 815 C LEU A 55 -3.255 7.095 -10.303 1.00 0.00 C ATOM 816 O LEU A 55 -2.337 6.331 -10.602 1.00 0.00 O ATOM 817 CB LEU A 55 -3.997 6.776 -7.926 1.00 0.00 C ATOM 818 CG LEU A 55 -4.508 7.451 -6.648 1.00 0.00 C ATOM 819 CD1 LEU A 55 -6.007 7.259 -6.500 1.00 0.00 C ATOM 820 CD2 LEU A 55 -3.773 6.927 -5.421 1.00 0.00 C ATOM 0 H LEU A 55 -4.869 9.044 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.310 7.919 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.834 6.283 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.286 5.997 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.307 8.519 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.348 7.746 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.517 7.699 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.234 6.194 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.155 7.423 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.930 5.852 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.707 7.131 -5.521 1.00 0.00 H new ATOM 832 N LEU A 56 -4.219 7.436 -11.155 1.00 0.00 N ATOM 833 CA LEU A 56 -4.249 6.920 -12.516 1.00 0.00 C ATOM 834 C LEU A 56 -3.079 7.479 -13.320 1.00 0.00 C ATOM 835 O LEU A 56 -2.380 6.744 -14.017 1.00 0.00 O ATOM 836 CB LEU A 56 -5.571 7.287 -13.191 1.00 0.00 C ATOM 837 CG LEU A 56 -6.412 6.094 -13.649 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.512 5.799 -12.641 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.999 6.358 -15.028 1.00 0.00 C ATOM 0 H LEU A 56 -4.987 8.066 -10.925 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.162 5.834 -12.478 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.162 7.885 -12.498 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.359 7.917 -14.055 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.767 5.218 -13.714 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.100 4.947 -12.983 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.066 5.567 -11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.159 6.671 -12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.595 5.500 -15.340 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.632 7.245 -14.990 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.192 6.518 -15.743 1.00 0.00 H new ATOM 851 N HIS A 57 -2.879 8.791 -13.215 1.00 0.00 N ATOM 852 CA HIS A 57 -1.799 9.463 -13.932 1.00 0.00 C ATOM 853 C HIS A 57 -0.457 8.834 -13.583 1.00 0.00 C ATOM 854 O HIS A 57 0.459 8.798 -14.404 1.00 0.00 O ATOM 855 CB HIS A 57 -1.775 10.954 -13.577 1.00 0.00 C ATOM 856 CG HIS A 57 -2.475 11.825 -14.574 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.850 12.349 -15.686 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.753 12.273 -14.619 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.710 13.081 -16.371 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.871 13.051 -15.745 1.00 0.00 N ATOM 0 H HIS A 57 -3.451 9.409 -12.640 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.976 9.351 -15.002 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.238 11.093 -12.600 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.739 11.280 -13.488 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.533 12.059 -13.903 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.499 13.613 -17.287 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.720 13.529 -16.048 1.00 0.00 H new ATOM 868 N MET A 58 -0.349 8.340 -12.358 1.00 0.00 N ATOM 869 CA MET A 58 0.876 7.711 -11.892 1.00 0.00 C ATOM 870 C MET A 58 1.059 6.335 -12.534 1.00 0.00 C ATOM 871 O MET A 58 2.166 5.959 -12.916 1.00 0.00 O ATOM 872 CB MET A 58 0.841 7.597 -10.367 1.00 0.00 C ATOM 873 CG MET A 58 1.138 8.914 -9.659 1.00 0.00 C ATOM 874 SD MET A 58 -0.284 9.570 -8.774 1.00 0.00 S ATOM 875 CE MET A 58 -0.478 11.154 -9.582 1.00 0.00 C ATOM 0 H MET A 58 -1.099 8.363 -11.667 1.00 0.00 H new ATOM 0 HA MET A 58 1.726 8.328 -12.184 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.141 7.240 -10.058 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.567 6.849 -10.048 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.959 8.766 -8.958 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.473 9.647 -10.393 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.500 11.509 -9.446 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.217 11.872 -9.146 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.269 11.047 -10.647 1.00 0.00 H new ATOM 885 N LEU A 59 -0.036 5.587 -12.641 1.00 0.00 N ATOM 886 CA LEU A 59 0.008 4.249 -13.229 1.00 0.00 C ATOM 887 C LEU A 59 0.481 4.299 -14.678 1.00 0.00 C ATOM 888 O LEU A 59 1.092 3.349 -15.170 1.00 0.00 O ATOM 889 CB LEU A 59 -1.370 3.575 -13.128 1.00 0.00 C ATOM 890 CG LEU A 59 -1.641 2.458 -14.148 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.255 1.242 -13.471 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.550 2.964 -15.261 1.00 0.00 C ATOM 0 H LEU A 59 -0.962 5.882 -12.330 1.00 0.00 H new ATOM 0 HA LEU A 59 0.727 3.654 -12.666 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.479 3.161 -12.126 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.138 4.340 -13.242 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.689 2.158 -14.585 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.437 0.465 -14.214 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.571 0.864 -12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.198 1.524 -13.002 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.732 2.161 -15.975 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.498 3.293 -14.835 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.071 3.800 -15.770 1.00 0.00 H new ATOM 904 N GLU A 60 0.213 5.406 -15.353 1.00 0.00 N ATOM 905 CA GLU A 60 0.633 5.565 -16.739 1.00 0.00 C ATOM 906 C GLU A 60 1.970 6.302 -16.819 1.00 0.00 C ATOM 907 O GLU A 60 2.559 6.422 -17.893 1.00 0.00 O ATOM 908 CB GLU A 60 -0.431 6.322 -17.532 1.00 0.00 C ATOM 909 CG GLU A 60 -0.769 7.682 -16.946 1.00 0.00 C ATOM 910 CD GLU A 60 -1.167 8.691 -18.005 1.00 0.00 C ATOM 911 OE1 GLU A 60 -0.265 9.326 -18.589 1.00 0.00 O ATOM 912 OE2 GLU A 60 -2.382 8.845 -18.250 1.00 0.00 O ATOM 0 H GLU A 60 -0.291 6.205 -14.967 1.00 0.00 H new ATOM 0 HA GLU A 60 0.759 4.573 -17.173 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.084 6.453 -18.557 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.338 5.719 -17.576 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.583 7.573 -16.230 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.092 8.060 -16.395 1.00 0.00 H new ATOM 919 N SER A 61 2.448 6.790 -15.673 1.00 0.00 N ATOM 920 CA SER A 61 3.714 7.507 -15.615 1.00 0.00 C ATOM 921 C SER A 61 4.459 7.198 -14.315 1.00 0.00 C ATOM 922 O SER A 61 4.185 7.802 -13.278 1.00 0.00 O ATOM 923 CB SER A 61 3.472 9.013 -15.736 1.00 0.00 C ATOM 924 OG SER A 61 2.885 9.334 -16.985 1.00 0.00 O ATOM 0 H SER A 61 1.974 6.699 -14.774 1.00 0.00 H new ATOM 0 HA SER A 61 4.332 7.176 -16.450 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.821 9.346 -14.928 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.416 9.547 -15.626 1.00 0.00 H new ATOM 0 HG SER A 61 2.738 10.301 -17.039 1.00 0.00 H new ATOM 930 N PRO A 62 5.416 6.250 -14.348 1.00 0.00 N ATOM 931 CA PRO A 62 6.193 5.872 -13.161 1.00 0.00 C ATOM 932 C PRO A 62 6.816 7.076 -12.453 1.00 0.00 C ATOM 933 O PRO A 62 7.134 7.011 -11.267 1.00 0.00 O ATOM 934 CB PRO A 62 7.289 4.968 -13.727 1.00 0.00 C ATOM 935 CG PRO A 62 6.708 4.403 -14.976 1.00 0.00 C ATOM 936 CD PRO A 62 5.813 5.473 -15.538 1.00 0.00 C ATOM 0 HA PRO A 62 5.567 5.394 -12.407 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.199 5.531 -13.934 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.555 4.180 -13.023 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.492 4.138 -15.686 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.145 3.493 -14.768 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.337 6.093 -16.266 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.948 5.047 -16.046 1.00 0.00 H new ATOM 944 N GLU A 63 6.997 8.168 -13.190 1.00 0.00 N ATOM 945 CA GLU A 63 7.593 9.380 -12.632 1.00 0.00 C ATOM 946 C GLU A 63 6.773 9.914 -11.460 1.00 0.00 C ATOM 947 O GLU A 63 7.277 10.033 -10.340 1.00 0.00 O ATOM 948 CB GLU A 63 7.735 10.459 -13.713 1.00 0.00 C ATOM 949 CG GLU A 63 6.480 10.669 -14.548 1.00 0.00 C ATOM 950 CD GLU A 63 5.711 11.914 -14.146 1.00 0.00 C ATOM 951 OE1 GLU A 63 6.351 12.890 -13.699 1.00 0.00 O ATOM 952 OE2 GLU A 63 4.470 11.912 -14.279 1.00 0.00 O ATOM 0 H GLU A 63 6.740 8.240 -14.175 1.00 0.00 H new ATOM 0 HA GLU A 63 8.584 9.120 -12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.004 11.402 -13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.558 10.189 -14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.756 10.741 -15.600 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.832 9.798 -14.448 1.00 0.00 H new ATOM 959 N SER A 64 5.509 10.234 -11.714 1.00 0.00 N ATOM 960 CA SER A 64 4.629 10.751 -10.678 1.00 0.00 C ATOM 961 C SER A 64 4.307 9.654 -9.682 1.00 0.00 C ATOM 962 O SER A 64 4.137 9.904 -8.489 1.00 0.00 O ATOM 963 CB SER A 64 3.342 11.296 -11.301 1.00 0.00 C ATOM 964 OG SER A 64 2.432 11.725 -10.303 1.00 0.00 O ATOM 0 H SER A 64 5.072 10.143 -12.631 1.00 0.00 H new ATOM 0 HA SER A 64 5.134 11.565 -10.157 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.579 12.129 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.876 10.524 -11.914 1.00 0.00 H new ATOM 0 HG SER A 64 2.119 12.630 -10.513 1.00 0.00 H new ATOM 970 N LEU A 65 4.209 8.434 -10.192 1.00 0.00 N ATOM 971 CA LEU A 65 3.890 7.288 -9.362 1.00 0.00 C ATOM 972 C LEU A 65 4.888 7.151 -8.227 1.00 0.00 C ATOM 973 O LEU A 65 4.512 7.187 -7.054 1.00 0.00 O ATOM 974 CB LEU A 65 3.875 6.006 -10.198 1.00 0.00 C ATOM 975 CG LEU A 65 3.639 4.722 -9.402 1.00 0.00 C ATOM 976 CD1 LEU A 65 4.964 4.143 -8.933 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.715 4.995 -8.219 1.00 0.00 C ATOM 0 H LEU A 65 4.347 8.216 -11.179 1.00 0.00 H new ATOM 0 HA LEU A 65 2.898 7.446 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.098 6.094 -10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.826 5.921 -10.724 1.00 0.00 H new ATOM 0 HG LEU A 65 3.156 3.990 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.782 3.229 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.588 3.917 -9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.473 4.868 -8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.556 4.072 -7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.170 5.740 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.758 5.368 -8.583 1.00 0.00 H new ATOM 989 N ARG A 66 6.157 7.002 -8.566 1.00 0.00 N ATOM 990 CA ARG A 66 7.187 6.865 -7.548 1.00 0.00 C ATOM 991 C ARG A 66 7.118 8.018 -6.554 1.00 0.00 C ATOM 992 O ARG A 66 7.464 7.867 -5.383 1.00 0.00 O ATOM 993 CB ARG A 66 8.569 6.809 -8.193 1.00 0.00 C ATOM 994 CG ARG A 66 9.674 6.439 -7.221 1.00 0.00 C ATOM 995 CD ARG A 66 11.042 6.781 -7.782 1.00 0.00 C ATOM 996 NE ARG A 66 11.665 5.633 -8.436 1.00 0.00 N ATOM 997 CZ ARG A 66 12.801 5.701 -9.120 1.00 0.00 C ATOM 998 NH1 ARG A 66 13.439 6.859 -9.246 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.302 4.610 -9.682 1.00 0.00 N ATOM 0 H ARG A 66 6.498 6.973 -9.527 1.00 0.00 H new ATOM 0 HA ARG A 66 7.013 5.933 -7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.553 6.083 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.795 7.779 -8.636 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.523 6.966 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.625 5.372 -7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.947 7.599 -8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.687 7.134 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 66 11.201 4.728 -8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.057 7.701 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.311 6.906 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.815 3.719 -9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.175 4.662 -10.208 1.00 0.00 H new ATOM 1013 N SER A 67 6.667 9.170 -7.035 1.00 0.00 N ATOM 1014 CA SER A 67 6.549 10.355 -6.194 1.00 0.00 C ATOM 1015 C SER A 67 5.656 10.095 -4.981 1.00 0.00 C ATOM 1016 O SER A 67 6.003 10.455 -3.857 1.00 0.00 O ATOM 1017 CB SER A 67 5.983 11.518 -7.009 1.00 0.00 C ATOM 1018 OG SER A 67 6.622 12.738 -6.677 1.00 0.00 O ATOM 0 H SER A 67 6.377 9.309 -8.003 1.00 0.00 H new ATOM 0 HA SER A 67 7.546 10.609 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.111 11.316 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.912 11.605 -6.827 1.00 0.00 H new ATOM 0 HG SER A 67 6.241 13.464 -7.215 1.00 0.00 H new ATOM 1024 N LYS A 68 4.499 9.485 -5.218 1.00 0.00 N ATOM 1025 CA LYS A 68 3.551 9.201 -4.142 1.00 0.00 C ATOM 1026 C LYS A 68 3.997 7.996 -3.314 1.00 0.00 C ATOM 1027 O LYS A 68 3.993 8.046 -2.083 1.00 0.00 O ATOM 1028 CB LYS A 68 2.141 8.966 -4.708 1.00 0.00 C ATOM 1029 CG LYS A 68 1.842 9.749 -5.984 1.00 0.00 C ATOM 1030 CD LYS A 68 0.651 10.682 -5.815 1.00 0.00 C ATOM 1031 CE LYS A 68 0.872 12.001 -6.544 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.381 12.799 -6.659 1.00 0.00 N ATOM 0 H LYS A 68 4.194 9.178 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 68 3.524 10.071 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.015 7.902 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.407 9.236 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.720 10.330 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.644 9.052 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.249 10.199 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.484 10.874 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.625 12.585 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.266 11.802 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.410 13.269 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.203 12.170 -6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.406 13.517 -5.907 1.00 0.00 H new ATOM 1046 N VAL A 69 4.384 6.918 -3.988 1.00 0.00 N ATOM 1047 CA VAL A 69 4.838 5.710 -3.304 1.00 0.00 C ATOM 1048 C VAL A 69 6.010 6.010 -2.380 1.00 0.00 C ATOM 1049 O VAL A 69 5.977 5.704 -1.188 1.00 0.00 O ATOM 1050 CB VAL A 69 5.274 4.627 -4.305 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.538 3.315 -3.585 1.00 0.00 C ATOM 1052 CG2 VAL A 69 4.225 4.455 -5.390 1.00 0.00 C ATOM 0 H VAL A 69 4.393 6.855 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 69 3.992 5.346 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 69 6.202 4.943 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.846 2.559 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.329 3.457 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.629 2.987 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.549 3.685 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.279 4.159 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.094 5.397 -5.922 1.00 0.00 H new ATOM 1062 N ASP A 70 7.044 6.616 -2.947 1.00 0.00 N ATOM 1063 CA ASP A 70 8.243 6.971 -2.193 1.00 0.00 C ATOM 1064 C ASP A 70 7.873 7.698 -0.905 1.00 0.00 C ATOM 1065 O ASP A 70 8.236 7.273 0.193 1.00 0.00 O ATOM 1066 CB ASP A 70 9.158 7.851 -3.049 1.00 0.00 C ATOM 1067 CG ASP A 70 10.458 8.198 -2.348 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.438 8.399 -1.116 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.500 8.271 -3.034 1.00 0.00 O ATOM 0 H ASP A 70 7.078 6.874 -3.933 1.00 0.00 H new ATOM 0 HA ASP A 70 8.772 6.054 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.380 7.336 -3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.633 8.770 -3.308 1.00 0.00 H new ATOM 1074 N GLU A 71 7.150 8.796 -1.058 1.00 0.00 N ATOM 1075 CA GLU A 71 6.713 9.603 0.076 1.00 0.00 C ATOM 1076 C GLU A 71 5.994 8.751 1.109 1.00 0.00 C ATOM 1077 O GLU A 71 6.414 8.670 2.263 1.00 0.00 O ATOM 1078 CB GLU A 71 5.801 10.721 -0.420 1.00 0.00 C ATOM 1079 CG GLU A 71 6.513 11.732 -1.309 1.00 0.00 C ATOM 1080 CD GLU A 71 7.298 12.761 -0.518 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.121 12.358 0.330 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.094 13.972 -0.751 1.00 0.00 O ATOM 0 H GLU A 71 6.850 9.153 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 71 7.590 10.036 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.970 10.284 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.375 11.240 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.189 11.204 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.778 12.242 -1.932 1.00 0.00 H new ATOM 1089 N ALA A 72 4.916 8.115 0.690 1.00 0.00 N ATOM 1090 CA ALA A 72 4.141 7.267 1.576 1.00 0.00 C ATOM 1091 C ALA A 72 5.029 6.283 2.322 1.00 0.00 C ATOM 1092 O ALA A 72 4.871 6.085 3.525 1.00 0.00 O ATOM 1093 CB ALA A 72 3.095 6.530 0.782 1.00 0.00 C ATOM 0 H ALA A 72 4.556 8.170 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 72 3.655 7.900 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.514 5.893 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.433 7.248 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.580 5.915 0.024 1.00 0.00 H new ATOM 1099 N VAL A 73 5.964 5.672 1.607 1.00 0.00 N ATOM 1100 CA VAL A 73 6.865 4.715 2.226 1.00 0.00 C ATOM 1101 C VAL A 73 7.497 5.335 3.463 1.00 0.00 C ATOM 1102 O VAL A 73 7.751 4.654 4.448 1.00 0.00 O ATOM 1103 CB VAL A 73 7.972 4.251 1.259 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.897 3.250 1.944 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.364 3.652 -0.001 1.00 0.00 C ATOM 0 H VAL A 73 6.116 5.821 0.609 1.00 0.00 H new ATOM 0 HA VAL A 73 6.277 3.839 2.501 1.00 0.00 H new ATOM 0 HB VAL A 73 8.565 5.119 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.672 2.934 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.360 3.718 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.321 2.382 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.161 3.330 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.745 2.795 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.750 4.401 -0.500 1.00 0.00 H new ATOM 1115 N ALA A 74 7.722 6.641 3.409 1.00 0.00 N ATOM 1116 CA ALA A 74 8.290 7.361 4.531 1.00 0.00 C ATOM 1117 C ALA A 74 7.250 7.532 5.640 1.00 0.00 C ATOM 1118 O ALA A 74 7.444 7.066 6.762 1.00 0.00 O ATOM 1119 CB ALA A 74 8.828 8.707 4.076 1.00 0.00 C ATOM 0 H ALA A 74 7.518 7.221 2.595 1.00 0.00 H new ATOM 0 HA ALA A 74 9.120 6.782 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.252 9.237 4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.601 8.554 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.017 9.297 3.648 1.00 0.00 H new ATOM 1125 N VAL A 75 6.143 8.208 5.315 1.00 0.00 N ATOM 1126 CA VAL A 75 5.072 8.439 6.287 1.00 0.00 C ATOM 1127 C VAL A 75 4.473 7.125 6.784 1.00 0.00 C ATOM 1128 O VAL A 75 4.513 6.829 7.976 1.00 0.00 O ATOM 1129 CB VAL A 75 3.920 9.300 5.713 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.514 10.377 6.709 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.291 9.922 4.376 1.00 0.00 C ATOM 0 H VAL A 75 5.967 8.603 4.391 1.00 0.00 H new ATOM 0 HA VAL A 75 5.542 8.976 7.111 1.00 0.00 H new ATOM 0 HB VAL A 75 3.070 8.639 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.703 10.973 6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.179 9.909 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.368 11.021 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.456 10.518 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.165 10.561 4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.518 9.134 3.659 1.00 0.00 H new ATOM 1141 N LEU A 76 3.893 6.354 5.864 1.00 0.00 N ATOM 1142 CA LEU A 76 3.258 5.081 6.206 1.00 0.00 C ATOM 1143 C LEU A 76 4.181 4.205 7.046 1.00 0.00 C ATOM 1144 O LEU A 76 3.849 3.840 8.173 1.00 0.00 O ATOM 1145 CB LEU A 76 2.860 4.342 4.922 1.00 0.00 C ATOM 1146 CG LEU A 76 2.501 2.865 5.096 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.159 2.724 5.787 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.481 2.159 3.749 1.00 0.00 C ATOM 0 H LEU A 76 3.850 6.590 4.873 1.00 0.00 H new ATOM 0 HA LEU A 76 2.368 5.293 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.007 4.855 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.683 4.417 4.211 1.00 0.00 H new ATOM 0 HG LEU A 76 3.262 2.397 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.919 1.667 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.204 3.196 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.388 3.208 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.224 1.109 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.740 2.629 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.465 2.232 3.286 1.00 0.00 H new ATOM 1160 N GLN A 77 5.333 3.866 6.486 1.00 0.00 N ATOM 1161 CA GLN A 77 6.293 3.026 7.190 1.00 0.00 C ATOM 1162 C GLN A 77 6.552 3.580 8.590 1.00 0.00 C ATOM 1163 O GLN A 77 6.833 2.831 9.526 1.00 0.00 O ATOM 1164 CB GLN A 77 7.608 2.947 6.422 1.00 0.00 C ATOM 1165 CG GLN A 77 8.631 2.019 7.053 1.00 0.00 C ATOM 1166 CD GLN A 77 9.556 1.392 6.029 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.743 0.176 6.006 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.139 2.222 5.170 1.00 0.00 N ATOM 0 H GLN A 77 5.625 4.157 5.553 1.00 0.00 H new ATOM 0 HA GLN A 77 5.872 2.024 7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.405 2.611 5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.035 3.947 6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.223 2.576 7.779 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.113 1.231 7.601 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.956 3.224 5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.769 1.857 4.456 1.00 0.00 H new ATOM 1177 N ALA A 78 6.448 4.901 8.717 1.00 0.00 N ATOM 1178 CA ALA A 78 6.663 5.573 9.993 1.00 0.00 C ATOM 1179 C ALA A 78 5.420 5.500 10.877 1.00 0.00 C ATOM 1180 O ALA A 78 5.489 5.053 12.022 1.00 0.00 O ATOM 1181 CB ALA A 78 7.060 7.023 9.759 1.00 0.00 C ATOM 0 H ALA A 78 6.215 5.528 7.947 1.00 0.00 H new ATOM 0 HA ALA A 78 7.472 5.060 10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.218 7.516 10.718 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.980 7.059 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.266 7.534 9.215 1.00 0.00 H new ATOM 1187 N HIS A 79 4.284 5.943 10.339 1.00 0.00 N ATOM 1188 CA HIS A 79 3.028 5.930 11.083 1.00 0.00 C ATOM 1189 C HIS A 79 2.528 4.502 11.309 1.00 0.00 C ATOM 1190 O HIS A 79 1.599 4.279 12.084 1.00 0.00 O ATOM 1191 CB HIS A 79 1.966 6.760 10.350 1.00 0.00 C ATOM 1192 CG HIS A 79 1.757 8.114 10.954 1.00 0.00 C ATOM 1193 ND1 HIS A 79 1.342 8.304 12.255 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.913 9.354 10.428 1.00 0.00 C ATOM 1195 CE1 HIS A 79 1.251 9.597 12.505 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.592 10.255 11.413 1.00 0.00 N ATOM 0 H HIS A 79 4.209 6.315 9.392 1.00 0.00 H new ATOM 0 HA HIS A 79 3.213 6.376 12.060 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.261 6.876 9.307 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.021 6.217 10.356 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.230 9.589 9.423 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.949 10.040 13.442 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.614 11.270 11.316 1.00 0.00 H new ATOM 1536 N LYS B 5 5.298 13.377 4.440 1.00 0.00 N ATOM 1537 CA LYS B 5 5.519 13.215 3.009 1.00 0.00 C ATOM 1538 C LYS B 5 4.236 13.478 2.220 1.00 0.00 C ATOM 1539 O LYS B 5 3.247 13.963 2.767 1.00 0.00 O ATOM 1540 CB LYS B 5 6.069 11.825 2.697 1.00 0.00 C ATOM 1541 CG LYS B 5 7.086 11.331 3.711 1.00 0.00 C ATOM 1542 CD LYS B 5 8.448 11.973 3.503 1.00 0.00 C ATOM 1543 CE LYS B 5 9.283 11.937 4.775 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.624 12.554 4.579 1.00 0.00 N ATOM 0 HA LYS B 5 6.260 13.952 2.701 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.241 11.118 2.652 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.531 11.839 1.710 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.731 11.550 4.718 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.179 10.248 3.634 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.978 11.454 2.704 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.319 13.006 3.181 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.755 12.463 5.571 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.403 10.904 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 11.160 12.509 5.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 11.139 12.037 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.511 13.547 4.293 1.00 0.00 H new ATOM 1558 N LEU B 6 4.272 13.171 0.927 1.00 0.00 N ATOM 1559 CA LEU B 6 3.128 13.388 0.042 1.00 0.00 C ATOM 1560 C LEU B 6 1.953 12.466 0.379 1.00 0.00 C ATOM 1561 O LEU B 6 0.805 12.910 0.409 1.00 0.00 O ATOM 1562 CB LEU B 6 3.555 13.185 -1.416 1.00 0.00 C ATOM 1563 CG LEU B 6 2.459 13.398 -2.464 1.00 0.00 C ATOM 1564 CD1 LEU B 6 1.501 12.218 -2.483 1.00 0.00 C ATOM 1565 CD2 LEU B 6 1.708 14.697 -2.201 1.00 0.00 C ATOM 0 H LEU B 6 5.087 12.768 0.464 1.00 0.00 H new ATOM 0 HA LEU B 6 2.787 14.413 0.188 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.377 13.867 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.944 12.172 -1.524 1.00 0.00 H new ATOM 0 HG LEU B 6 2.932 13.471 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.729 12.388 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.050 11.308 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.036 12.111 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.934 14.829 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.248 14.658 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.404 15.535 -2.244 1.00 0.00 H new ATOM 1577 N SER B 7 2.231 11.189 0.636 1.00 0.00 N ATOM 1578 CA SER B 7 1.176 10.242 0.972 1.00 0.00 C ATOM 1579 C SER B 7 1.296 9.789 2.424 1.00 0.00 C ATOM 1580 O SER B 7 2.219 9.065 2.782 1.00 0.00 O ATOM 1581 CB SER B 7 1.230 9.037 0.038 1.00 0.00 C ATOM 1582 OG SER B 7 0.541 9.301 -1.174 1.00 0.00 O ATOM 0 H SER B 7 3.170 10.791 0.618 1.00 0.00 H new ATOM 0 HA SER B 7 0.216 10.742 0.847 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.269 8.786 -0.177 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.788 8.171 0.530 1.00 0.00 H new ATOM 0 HG SER B 7 -0.422 9.345 -1.000 1.00 0.00 H new ATOM 1588 N VAL B 8 0.360 10.221 3.259 1.00 0.00 N ATOM 1589 CA VAL B 8 0.373 9.858 4.670 1.00 0.00 C ATOM 1590 C VAL B 8 -0.423 8.581 4.912 1.00 0.00 C ATOM 1591 O VAL B 8 -0.891 7.947 3.967 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.203 10.987 5.547 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.780 12.143 5.639 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.544 11.458 5.004 1.00 0.00 C ATOM 0 H VAL B 8 -0.417 10.822 2.984 1.00 0.00 H new ATOM 0 HA VAL B 8 1.414 9.693 4.947 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.364 10.595 6.551 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.357 12.931 6.262 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.713 11.793 6.080 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.975 12.535 4.641 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.933 12.255 5.637 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.414 11.832 3.989 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.247 10.625 4.997 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.571 8.202 6.178 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.311 6.995 6.526 1.00 0.00 C ATOM 1606 C ASN B 9 -2.825 7.187 6.348 1.00 0.00 C ATOM 1607 O ASN B 9 -3.602 6.901 7.257 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.999 6.589 7.970 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.331 5.137 8.247 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.748 4.231 7.653 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.272 4.906 9.157 1.00 0.00 N ATOM 0 H ASN B 9 -0.190 8.711 6.976 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.995 6.202 5.848 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.058 6.762 8.173 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.563 7.224 8.653 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.536 3.948 9.386 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.730 5.687 9.626 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.233 7.693 5.179 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.647 7.944 4.893 1.00 0.00 C ATOM 1620 C ALA B 10 -5.518 6.724 5.205 1.00 0.00 C ATOM 1621 O ALA B 10 -5.014 5.691 5.642 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.811 8.360 3.439 1.00 0.00 C ATOM 0 H ALA B 10 -2.602 7.937 4.416 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.984 8.753 5.541 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.865 8.546 3.230 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.239 9.269 3.254 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.447 7.564 2.790 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.846 6.836 4.988 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.787 5.738 5.248 1.00 0.00 C ATOM 1630 C PRO B 11 -7.353 4.441 4.577 1.00 0.00 C ATOM 1631 O PRO B 11 -6.223 4.328 4.109 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.099 6.246 4.645 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.986 7.729 4.710 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.534 8.038 4.478 1.00 0.00 C ATOM 0 HA PRO B 11 -7.859 5.499 6.309 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.224 5.902 3.618 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.960 5.888 5.209 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.612 8.203 3.954 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.316 8.105 5.679 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.322 8.205 3.422 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.223 8.936 5.012 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.254 3.469 4.500 1.00 0.00 N ATOM 1643 CA GLU B 12 -7.955 2.203 3.846 1.00 0.00 C ATOM 1644 C GLU B 12 -8.141 2.306 2.334 1.00 0.00 C ATOM 1645 O GLU B 12 -8.376 3.386 1.792 1.00 0.00 O ATOM 1646 CB GLU B 12 -8.836 1.088 4.413 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.210 0.367 5.595 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.299 -0.767 5.170 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.800 -1.729 4.550 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.086 -0.694 5.458 1.00 0.00 O ATOM 0 H GLU B 12 -9.197 3.534 4.883 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.910 1.962 4.043 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.792 1.511 4.720 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.046 0.365 3.625 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -7.642 1.081 6.192 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.999 -0.027 6.235 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.032 1.162 1.665 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.189 1.109 0.215 1.00 0.00 C ATOM 1659 C PHE B 13 -9.569 0.564 -0.150 1.00 0.00 C ATOM 1660 O PHE B 13 -9.867 -0.616 0.038 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.078 0.284 -0.435 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.131 -1.187 -0.141 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.820 -1.684 1.115 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.479 -2.074 -1.138 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.861 -3.044 1.362 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.523 -3.430 -0.900 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.214 -3.916 0.349 1.00 0.00 C ATOM 0 H PHE B 13 -7.836 0.262 2.102 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.108 2.124 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.124 0.426 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.115 0.672 -0.103 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.543 -1.004 1.907 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.721 -1.699 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.618 -3.424 2.343 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.799 -4.110 -1.692 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.247 -4.979 0.538 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.394 1.465 -0.680 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.755 1.146 -1.103 1.00 0.00 C ATOM 1679 C TYR B 14 -11.947 1.375 -2.604 1.00 0.00 C ATOM 1680 O TYR B 14 -11.066 1.919 -3.271 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.747 1.978 -0.294 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.116 1.331 1.020 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -13.782 0.111 1.055 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -12.782 1.929 2.226 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -14.109 -0.490 2.256 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -13.102 1.334 3.431 1.00 0.00 C ATOM 1687 CZ TYR B 14 -13.766 0.126 3.441 1.00 0.00 C ATOM 1688 OH TYR B 14 -14.083 -0.469 4.640 1.00 0.00 O ATOM 0 H TYR B 14 -10.136 2.441 -0.828 1.00 0.00 H new ATOM 0 HA TYR B 14 -11.937 0.088 -0.916 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.318 2.962 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.650 2.134 -0.884 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -14.048 -0.375 0.128 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.263 2.876 2.223 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -14.630 -1.436 2.266 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -12.833 1.813 4.361 1.00 0.00 H new ATOM 0 HH TYR B 14 -13.770 0.095 5.378 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.109 0.970 -3.163 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.404 1.150 -4.590 1.00 0.00 C ATOM 1700 C PRO B 15 -13.480 2.612 -4.999 1.00 0.00 C ATOM 1701 O PRO B 15 -14.558 3.212 -5.041 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.763 0.493 -4.776 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.369 0.469 -3.416 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.224 0.308 -2.458 1.00 0.00 C ATOM 0 HA PRO B 15 -12.616 0.718 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.382 1.057 -5.474 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.662 -0.514 -5.181 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.918 1.389 -3.217 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.078 -0.353 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.431 0.780 -1.497 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.009 -0.742 -2.258 1.00 0.00 H new ATOM 1712 N SER B 16 -12.333 3.166 -5.334 1.00 0.00 N ATOM 1713 CA SER B 16 -12.251 4.551 -5.766 1.00 0.00 C ATOM 1714 C SER B 16 -13.244 4.821 -6.888 1.00 0.00 C ATOM 1715 O SER B 16 -14.133 5.664 -6.765 1.00 0.00 O ATOM 1716 CB SER B 16 -10.837 4.849 -6.242 1.00 0.00 C ATOM 1717 OG SER B 16 -9.942 4.956 -5.148 1.00 0.00 O ATOM 0 H SER B 16 -11.438 2.677 -5.316 1.00 0.00 H new ATOM 0 HA SER B 16 -12.498 5.199 -4.925 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.502 4.059 -6.914 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.830 5.777 -6.813 1.00 0.00 H new ATOM 0 HG SER B 16 -9.536 5.848 -5.143 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.079 4.094 -7.980 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.952 4.244 -9.127 1.00 0.00 C ATOM 1725 C GLY B 17 -15.211 3.403 -9.035 1.00 0.00 C ATOM 1726 O GLY B 17 -15.506 2.623 -9.940 1.00 0.00 O ATOM 0 H GLY B 17 -12.347 3.393 -8.094 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.230 5.293 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.405 3.970 -10.029 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.969 3.566 -7.954 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.211 2.818 -7.782 1.00 0.00 C ATOM 1732 C TYR B 18 -18.223 3.207 -8.857 1.00 0.00 C ATOM 1733 O TYR B 18 -18.291 4.365 -9.265 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.806 3.089 -6.398 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.557 1.913 -5.815 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.873 0.809 -5.334 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.945 1.908 -5.744 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.544 -0.272 -4.796 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.627 0.832 -5.206 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.920 -0.256 -4.732 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.591 -1.334 -4.192 1.00 0.00 O ATOM 0 H TYR B 18 -15.748 4.204 -7.190 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.985 1.756 -7.875 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -17.003 3.369 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.481 3.942 -6.464 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.794 0.793 -5.380 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.499 2.757 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.993 -1.125 -4.428 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.706 0.842 -5.157 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.556 -1.166 -4.219 1.00 0.00 H new