USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -133:sc= 0 (180deg=-0.0547) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 104:sc= 0.899 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0254 (180deg=-0.386) USER MOD Single : A 22 THR OG1 : rot -64:sc= 1.02 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -17:sc= 0.75 USER MOD Single : A 29 SER OG : rot -44:sc= 0.311 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 89:sc= 0.758 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -0.0872 (180deg=-0.606) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0776 (180deg=-0.633) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= 0.138! (180deg=-0.0911) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 6 -1.159 -16.285 9.356 1.00 1.00 N ATOM 67 CA ALA A 6 -0.009 -15.503 8.955 1.00 1.00 C ATOM 68 C ALA A 6 0.079 -15.445 7.442 1.00 1.00 C ATOM 69 O ALA A 6 0.088 -16.469 6.758 1.00 1.00 O ATOM 70 CB ALA A 6 1.269 -16.129 9.517 1.00 1.00 C ATOM 0 HA ALA A 6 -0.119 -14.492 9.347 1.00 1.00 H new ATOM 0 HB1 ALA A 6 2.130 -15.535 9.211 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.214 -16.154 10.605 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.375 -17.145 9.136 1.00 1.00 H new ATOM 76 N SER A 7 0.134 -14.230 6.938 1.00 1.00 N ATOM 77 CA SER A 7 0.212 -14.002 5.509 1.00 1.00 C ATOM 78 C SER A 7 1.591 -14.365 4.984 1.00 1.00 C ATOM 79 O SER A 7 2.482 -14.752 5.740 1.00 1.00 O ATOM 80 CB SER A 7 -0.081 -12.534 5.200 1.00 1.00 C ATOM 81 OG SER A 7 -1.427 -12.239 5.554 1.00 1.00 O ATOM 0 H SER A 7 0.126 -13.379 7.501 1.00 1.00 H new ATOM 0 HA SER A 7 -0.529 -14.633 5.018 1.00 1.00 H new ATOM 0 HB2 SER A 7 0.602 -11.890 5.754 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.081 -12.334 4.141 1.00 1.00 H new ATOM 0 HG SER A 7 -1.618 -11.298 5.359 1.00 1.00 H new ATOM 87 N LEU A 8 1.749 -14.228 3.680 1.00 1.00 N ATOM 88 CA LEU A 8 3.013 -14.531 3.021 1.00 1.00 C ATOM 89 C LEU A 8 4.157 -13.717 3.623 1.00 1.00 C ATOM 90 O LEU A 8 5.306 -13.844 3.200 1.00 1.00 O ATOM 91 CB LEU A 8 2.912 -14.222 1.525 1.00 1.00 C ATOM 92 CG LEU A 8 1.700 -14.938 0.916 1.00 1.00 C ATOM 93 CD1 LEU A 8 1.621 -14.596 -0.574 1.00 1.00 C ATOM 94 CD2 LEU A 8 1.839 -16.459 1.091 1.00 1.00 C ATOM 0 H LEU A 8 1.014 -13.907 3.050 1.00 1.00 H new ATOM 0 HA LEU A 8 3.220 -15.591 3.168 1.00 1.00 H new ATOM 0 HB2 LEU A 8 2.822 -13.146 1.374 1.00 1.00 H new ATOM 0 HB3 LEU A 8 3.823 -14.540 1.018 1.00 1.00 H new ATOM 0 HG LEU A 8 0.792 -14.610 1.422 1.00 1.00 H new ATOM 0 HD11 LEU A 8 0.762 -15.100 -1.018 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.512 -13.518 -0.695 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.533 -14.926 -1.072 1.00 1.00 H new ATOM 0 HD21 LEU A 8 0.973 -16.956 0.655 1.00 1.00 H new ATOM 0 HD22 LEU A 8 2.744 -16.802 0.590 1.00 1.00 H new ATOM 0 HD23 LEU A 8 1.899 -16.699 2.153 1.00 1.00 H new ATOM 106 N LEU A 9 3.848 -12.890 4.618 1.00 1.00 N ATOM 107 CA LEU A 9 4.857 -12.073 5.279 1.00 1.00 C ATOM 108 C LEU A 9 5.628 -12.900 6.308 1.00 1.00 C ATOM 109 O LEU A 9 6.620 -12.439 6.875 1.00 1.00 O ATOM 110 CB LEU A 9 4.168 -10.901 5.983 1.00 1.00 C ATOM 111 CG LEU A 9 3.297 -10.136 4.978 1.00 1.00 C ATOM 112 CD1 LEU A 9 2.587 -8.983 5.694 1.00 1.00 C ATOM 113 CD2 LEU A 9 4.167 -9.582 3.839 1.00 1.00 C ATOM 0 H LEU A 9 2.904 -12.769 4.984 1.00 1.00 H new ATOM 0 HA LEU A 9 5.559 -11.703 4.532 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.554 -11.268 6.806 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.914 -10.234 6.415 1.00 1.00 H new ATOM 0 HG LEU A 9 2.556 -10.815 4.557 1.00 1.00 H new ATOM 0 HD11 LEU A 9 1.968 -8.438 4.981 1.00 1.00 H new ATOM 0 HD12 LEU A 9 1.959 -9.381 6.491 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.329 -8.308 6.120 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.539 -9.041 3.131 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.917 -8.906 4.250 1.00 1.00 H new ATOM 0 HD23 LEU A 9 4.664 -10.406 3.327 1.00 1.00 H new ATOM 125 N SER A 10 5.152 -14.119 6.555 1.00 1.00 N ATOM 126 CA SER A 10 5.798 -14.989 7.538 1.00 1.00 C ATOM 127 C SER A 10 7.191 -15.392 7.100 1.00 1.00 C ATOM 128 O SER A 10 8.169 -15.105 7.788 1.00 1.00 O ATOM 129 CB SER A 10 4.956 -16.243 7.784 1.00 1.00 C ATOM 130 OG SER A 10 5.766 -17.235 8.408 1.00 1.00 O ATOM 0 H SER A 10 4.335 -14.523 6.097 1.00 1.00 H new ATOM 0 HA SER A 10 5.882 -14.421 8.464 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.101 -16.004 8.416 1.00 1.00 H new ATOM 0 HB3 SER A 10 4.559 -16.620 6.841 1.00 1.00 H new ATOM 0 HG SER A 10 5.231 -18.040 8.569 1.00 1.00 H new ATOM 136 N PHE A 11 7.276 -16.079 5.971 1.00 1.00 N ATOM 137 CA PHE A 11 8.567 -16.541 5.476 1.00 1.00 C ATOM 138 C PHE A 11 9.623 -15.459 5.688 1.00 1.00 C ATOM 139 O PHE A 11 10.687 -15.719 6.251 1.00 1.00 O ATOM 140 CB PHE A 11 8.466 -16.875 3.988 1.00 1.00 C ATOM 141 CG PHE A 11 7.614 -18.108 3.807 1.00 1.00 C ATOM 142 CD1 PHE A 11 8.189 -19.377 3.934 1.00 1.00 C ATOM 143 CD2 PHE A 11 6.252 -17.981 3.510 1.00 1.00 C ATOM 144 CE1 PHE A 11 7.400 -20.522 3.764 1.00 1.00 C ATOM 145 CE2 PHE A 11 5.464 -19.125 3.340 1.00 1.00 C ATOM 146 CZ PHE A 11 6.039 -20.396 3.467 1.00 1.00 C ATOM 0 H PHE A 11 6.479 -16.327 5.386 1.00 1.00 H new ATOM 0 HA PHE A 11 8.856 -17.437 6.026 1.00 1.00 H new ATOM 0 HB2 PHE A 11 8.031 -16.036 3.445 1.00 1.00 H new ATOM 0 HB3 PHE A 11 9.460 -17.042 3.573 1.00 1.00 H new ATOM 0 HD1 PHE A 11 9.240 -19.474 4.163 1.00 1.00 H new ATOM 0 HD2 PHE A 11 5.809 -17.001 3.412 1.00 1.00 H new ATOM 0 HE1 PHE A 11 7.843 -21.502 3.862 1.00 1.00 H new ATOM 0 HE2 PHE A 11 4.413 -19.028 3.111 1.00 1.00 H new ATOM 0 HZ PHE A 11 5.431 -21.279 3.336 1.00 1.00 H new ATOM 156 N MET A 12 9.322 -14.252 5.227 1.00 1.00 N ATOM 157 CA MET A 12 10.260 -13.141 5.363 1.00 1.00 C ATOM 158 C MET A 12 10.455 -12.764 6.829 1.00 1.00 C ATOM 159 O MET A 12 11.579 -12.578 7.293 1.00 1.00 O ATOM 160 CB MET A 12 9.738 -11.925 4.593 1.00 1.00 C ATOM 161 CG MET A 12 9.737 -12.227 3.092 1.00 1.00 C ATOM 162 SD MET A 12 9.007 -10.833 2.195 1.00 1.00 S ATOM 163 CE MET A 12 10.483 -9.784 2.144 1.00 1.00 C ATOM 0 H MET A 12 8.446 -14.017 4.760 1.00 1.00 H new ATOM 0 HA MET A 12 11.220 -13.456 4.954 1.00 1.00 H new ATOM 0 HB2 MET A 12 8.730 -11.678 4.925 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.363 -11.056 4.799 1.00 1.00 H new ATOM 0 HG2 MET A 12 10.755 -12.403 2.745 1.00 1.00 H new ATOM 0 HG3 MET A 12 9.171 -13.137 2.894 1.00 1.00 H new ATOM 0 HE1 MET A 12 10.218 -8.769 2.439 1.00 1.00 H new ATOM 0 HE2 MET A 12 11.233 -10.177 2.831 1.00 1.00 H new ATOM 0 HE3 MET A 12 10.888 -9.774 1.132 1.00 1.00 H new ATOM 173 N GLN A 13 9.345 -12.648 7.547 1.00 1.00 N ATOM 174 CA GLN A 13 9.394 -12.283 8.961 1.00 1.00 C ATOM 175 C GLN A 13 10.527 -13.018 9.672 1.00 1.00 C ATOM 176 O GLN A 13 11.443 -12.396 10.211 1.00 1.00 O ATOM 177 CB GLN A 13 8.064 -12.607 9.641 1.00 1.00 C ATOM 178 CG GLN A 13 8.110 -12.136 11.095 1.00 1.00 C ATOM 179 CD GLN A 13 6.738 -12.305 11.736 1.00 1.00 C ATOM 180 OE1 GLN A 13 5.744 -12.490 11.035 1.00 1.00 O ATOM 181 NE2 GLN A 13 6.624 -12.251 13.034 1.00 1.00 N ATOM 0 H GLN A 13 8.406 -12.800 7.179 1.00 1.00 H new ATOM 0 HA GLN A 13 9.577 -11.210 9.026 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.245 -12.118 9.114 1.00 1.00 H new ATOM 0 HB3 GLN A 13 7.874 -13.679 9.600 1.00 1.00 H new ATOM 0 HG2 GLN A 13 8.853 -12.709 11.649 1.00 1.00 H new ATOM 0 HG3 GLN A 13 8.416 -11.091 11.139 1.00 1.00 H new ATOM 0 HE21 GLN A 13 7.450 -12.098 13.613 1.00 1.00 H new ATOM 0 HE22 GLN A 13 5.709 -12.362 13.471 1.00 1.00 H new ATOM 190 N GLY A 14 10.449 -14.342 9.682 1.00 1.00 N ATOM 191 CA GLY A 14 11.460 -15.155 10.347 1.00 1.00 C ATOM 192 C GLY A 14 12.808 -15.071 9.633 1.00 1.00 C ATOM 193 O GLY A 14 13.862 -15.153 10.261 1.00 1.00 O ATOM 0 H GLY A 14 9.700 -14.875 9.240 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.573 -14.824 11.379 1.00 1.00 H new ATOM 0 HA3 GLY A 14 11.129 -16.193 10.380 1.00 1.00 H new ATOM 197 N TYR A 15 12.772 -14.926 8.320 1.00 1.00 N ATOM 198 CA TYR A 15 14.006 -14.853 7.544 1.00 1.00 C ATOM 199 C TYR A 15 14.937 -13.803 8.105 1.00 1.00 C ATOM 200 O TYR A 15 16.040 -14.113 8.553 1.00 1.00 O ATOM 201 CB TYR A 15 13.681 -14.553 6.079 1.00 1.00 C ATOM 202 CG TYR A 15 14.926 -14.673 5.235 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.342 -15.931 4.787 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.654 -13.529 4.890 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.488 -16.047 3.995 1.00 1.00 C ATOM 206 CE2 TYR A 15 16.801 -13.644 4.095 1.00 1.00 C ATOM 207 CZ TYR A 15 17.218 -14.904 3.648 1.00 1.00 C ATOM 208 OH TYR A 15 18.345 -15.020 2.859 1.00 1.00 O ATOM 0 H TYR A 15 11.915 -14.857 7.771 1.00 1.00 H new ATOM 0 HA TYR A 15 14.512 -15.816 7.606 1.00 1.00 H new ATOM 0 HB2 TYR A 15 12.920 -15.245 5.718 1.00 1.00 H new ATOM 0 HB3 TYR A 15 13.267 -13.549 5.989 1.00 1.00 H new ATOM 0 HD1 TYR A 15 14.778 -16.813 5.053 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.332 -12.558 5.237 1.00 1.00 H new ATOM 0 HE1 TYR A 15 16.810 -17.019 3.651 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.363 -12.762 3.827 1.00 1.00 H new ATOM 0 HH TYR A 15 18.733 -14.132 2.711 1.00 1.00 H new ATOM 218 N MET A 16 14.504 -12.566 8.059 1.00 1.00 N ATOM 219 CA MET A 16 15.329 -11.488 8.550 1.00 1.00 C ATOM 220 C MET A 16 15.684 -11.760 9.996 1.00 1.00 C ATOM 221 O MET A 16 16.771 -11.413 10.450 1.00 1.00 O ATOM 222 CB MET A 16 14.563 -10.166 8.438 1.00 1.00 C ATOM 223 CG MET A 16 15.476 -8.993 8.803 1.00 1.00 C ATOM 224 SD MET A 16 16.715 -8.765 7.497 1.00 1.00 S ATOM 225 CE MET A 16 16.031 -7.261 6.756 1.00 1.00 C ATOM 0 H MET A 16 13.596 -12.282 7.691 1.00 1.00 H new ATOM 0 HA MET A 16 16.242 -11.419 7.959 1.00 1.00 H new ATOM 0 HB2 MET A 16 14.186 -10.041 7.423 1.00 1.00 H new ATOM 0 HB3 MET A 16 13.697 -10.182 9.100 1.00 1.00 H new ATOM 0 HG2 MET A 16 14.887 -8.084 8.924 1.00 1.00 H new ATOM 0 HG3 MET A 16 15.968 -9.184 9.757 1.00 1.00 H new ATOM 0 HE1 MET A 16 16.657 -6.950 5.920 1.00 1.00 H new ATOM 0 HE2 MET A 16 15.021 -7.459 6.398 1.00 1.00 H new ATOM 0 HE3 MET A 16 16.003 -6.468 7.503 1.00 1.00 H new ATOM 235 N LYS A 17 14.779 -12.404 10.717 1.00 1.00 N ATOM 236 CA LYS A 17 15.056 -12.725 12.110 1.00 1.00 C ATOM 237 C LYS A 17 16.228 -13.699 12.206 1.00 1.00 C ATOM 238 O LYS A 17 17.153 -13.503 12.994 1.00 1.00 O ATOM 239 CB LYS A 17 13.818 -13.312 12.785 1.00 1.00 C ATOM 240 CG LYS A 17 14.083 -13.484 14.278 1.00 1.00 C ATOM 241 CD LYS A 17 12.809 -13.991 14.955 1.00 1.00 C ATOM 242 CE LYS A 17 13.049 -14.153 16.454 1.00 1.00 C ATOM 243 NZ LYS A 17 11.794 -14.627 17.101 1.00 1.00 N ATOM 0 H LYS A 17 13.868 -12.709 10.373 1.00 1.00 H new ATOM 0 HA LYS A 17 15.324 -11.805 12.629 1.00 1.00 H new ATOM 0 HB2 LYS A 17 12.961 -12.656 12.631 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.568 -14.273 12.336 1.00 1.00 H new ATOM 0 HG2 LYS A 17 14.899 -14.188 14.437 1.00 1.00 H new ATOM 0 HG3 LYS A 17 14.391 -12.535 14.717 1.00 1.00 H new ATOM 0 HD2 LYS A 17 11.991 -13.291 14.782 1.00 1.00 H new ATOM 0 HD3 LYS A 17 12.510 -14.945 14.520 1.00 1.00 H new ATOM 0 HE2 LYS A 17 13.855 -14.865 16.631 1.00 1.00 H new ATOM 0 HE3 LYS A 17 13.361 -13.204 16.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 11.951 -14.739 18.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 11.037 -13.932 16.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 11.516 -15.541 16.691 1.00 1.00 H new ATOM 257 N HIS A 18 16.170 -14.757 11.397 1.00 1.00 N ATOM 258 CA HIS A 18 17.218 -15.773 11.394 1.00 1.00 C ATOM 259 C HIS A 18 18.474 -15.286 10.680 1.00 1.00 C ATOM 260 O HIS A 18 19.579 -15.450 11.187 1.00 1.00 O ATOM 261 CB HIS A 18 16.708 -17.044 10.714 1.00 1.00 C ATOM 262 CG HIS A 18 17.776 -18.103 10.760 1.00 1.00 C ATOM 263 ND1 HIS A 18 18.148 -18.726 11.940 1.00 1.00 N ATOM 264 CD2 HIS A 18 18.553 -18.665 9.779 1.00 1.00 C ATOM 265 CE1 HIS A 18 19.110 -19.618 11.643 1.00 1.00 C ATOM 266 NE2 HIS A 18 19.396 -19.623 10.339 1.00 1.00 N ATOM 0 H HIS A 18 15.411 -14.931 10.738 1.00 1.00 H new ATOM 0 HA HIS A 18 17.477 -15.983 12.432 1.00 1.00 H new ATOM 0 HB2 HIS A 18 15.807 -17.400 11.214 1.00 1.00 H new ATOM 0 HB3 HIS A 18 16.436 -16.832 9.680 1.00 1.00 H new ATOM 0 HD2 HIS A 18 18.517 -18.404 8.732 1.00 1.00 H new ATOM 0 HE1 HIS A 18 19.593 -20.253 12.371 1.00 1.00 H new ATOM 0 HE2 HIS A 18 20.083 -20.203 9.857 1.00 1.00 H new ATOM 274 N ALA A 19 18.314 -14.723 9.484 1.00 1.00 N ATOM 275 CA ALA A 19 19.473 -14.270 8.711 1.00 1.00 C ATOM 276 C ALA A 19 20.280 -13.244 9.472 1.00 1.00 C ATOM 277 O ALA A 19 21.467 -13.054 9.210 1.00 1.00 O ATOM 278 CB ALA A 19 19.014 -13.683 7.377 1.00 1.00 C ATOM 0 H ALA A 19 17.412 -14.571 9.034 1.00 1.00 H new ATOM 0 HA ALA A 19 20.112 -15.134 8.530 1.00 1.00 H new ATOM 0 HB1 ALA A 19 19.882 -13.349 6.809 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.480 -14.445 6.809 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.352 -12.836 7.560 1.00 1.00 H new ATOM 284 N THR A 20 19.650 -12.607 10.424 1.00 1.00 N ATOM 285 CA THR A 20 20.346 -11.624 11.239 1.00 1.00 C ATOM 286 C THR A 20 21.384 -12.330 12.107 1.00 1.00 C ATOM 287 O THR A 20 22.349 -11.719 12.564 1.00 1.00 O ATOM 288 CB THR A 20 19.338 -10.881 12.124 1.00 1.00 C ATOM 289 OG1 THR A 20 18.504 -10.069 11.310 1.00 1.00 O ATOM 290 CG2 THR A 20 20.076 -10.007 13.139 1.00 1.00 C ATOM 0 H THR A 20 18.667 -12.743 10.659 1.00 1.00 H new ATOM 0 HA THR A 20 20.848 -10.903 10.594 1.00 1.00 H new ATOM 0 HB THR A 20 18.728 -11.608 12.661 1.00 1.00 H new ATOM 0 HG1 THR A 20 17.625 -10.493 11.217 1.00 1.00 H new ATOM 0 HG21 THR A 20 19.352 -9.483 13.763 1.00 1.00 H new ATOM 0 HG22 THR A 20 20.709 -10.634 13.767 1.00 1.00 H new ATOM 0 HG23 THR A 20 20.694 -9.280 12.612 1.00 1.00 H new ATOM 298 N LYS A 21 21.188 -13.630 12.303 1.00 1.00 N ATOM 299 CA LYS A 21 22.124 -14.428 13.089 1.00 1.00 C ATOM 300 C LYS A 21 23.462 -14.572 12.367 1.00 1.00 C ATOM 301 O LYS A 21 24.518 -14.576 12.994 1.00 1.00 O ATOM 302 CB LYS A 21 21.540 -15.812 13.407 1.00 1.00 C ATOM 303 CG LYS A 21 20.271 -15.671 14.266 1.00 1.00 C ATOM 304 CD LYS A 21 20.634 -15.441 15.742 1.00 1.00 C ATOM 305 CE LYS A 21 19.351 -15.336 16.565 1.00 1.00 C ATOM 306 NZ LYS A 21 18.675 -16.662 16.602 1.00 1.00 N ATOM 0 H LYS A 21 20.394 -14.152 11.931 1.00 1.00 H new ATOM 0 HA LYS A 21 22.294 -13.903 14.029 1.00 1.00 H new ATOM 0 HB2 LYS A 21 21.304 -16.336 12.481 1.00 1.00 H new ATOM 0 HB3 LYS A 21 22.280 -16.414 13.935 1.00 1.00 H new ATOM 0 HG2 LYS A 21 19.670 -14.838 13.901 1.00 1.00 H new ATOM 0 HG3 LYS A 21 19.661 -16.570 14.172 1.00 1.00 H new ATOM 0 HD2 LYS A 21 21.250 -16.262 16.110 1.00 1.00 H new ATOM 0 HD3 LYS A 21 21.223 -14.530 15.846 1.00 1.00 H new ATOM 0 HE2 LYS A 21 19.582 -15.005 17.578 1.00 1.00 H new ATOM 0 HE3 LYS A 21 18.687 -14.589 16.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 18.016 -16.693 17.406 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 18.149 -16.808 15.717 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 19.387 -17.412 16.709 1.00 1.00 H new ATOM 320 N THR A 22 23.408 -14.710 11.046 1.00 1.00 N ATOM 321 CA THR A 22 24.626 -14.880 10.251 1.00 1.00 C ATOM 322 C THR A 22 25.569 -13.684 10.399 1.00 1.00 C ATOM 323 O THR A 22 26.735 -13.751 10.009 1.00 1.00 O ATOM 324 CB THR A 22 24.260 -15.067 8.776 1.00 1.00 C ATOM 325 OG1 THR A 22 23.545 -13.926 8.320 1.00 1.00 O ATOM 326 CG2 THR A 22 23.388 -16.315 8.628 1.00 1.00 C ATOM 0 H THR A 22 22.544 -14.708 10.504 1.00 1.00 H new ATOM 0 HA THR A 22 25.145 -15.765 10.620 1.00 1.00 H new ATOM 0 HB THR A 22 25.167 -15.185 8.183 1.00 1.00 H new ATOM 0 HG1 THR A 22 22.699 -13.853 8.809 1.00 1.00 H new ATOM 0 HG21 THR A 22 23.125 -16.453 7.579 1.00 1.00 H new ATOM 0 HG22 THR A 22 23.938 -17.187 8.981 1.00 1.00 H new ATOM 0 HG23 THR A 22 22.479 -16.196 9.218 1.00 1.00 H new ATOM 334 N ALA A 23 25.058 -12.597 10.961 1.00 1.00 N ATOM 335 CA ALA A 23 25.853 -11.398 11.158 1.00 1.00 C ATOM 336 C ALA A 23 27.180 -11.746 11.820 1.00 1.00 C ATOM 337 O ALA A 23 28.232 -11.364 11.331 1.00 1.00 O ATOM 338 CB ALA A 23 25.083 -10.410 12.034 1.00 1.00 C ATOM 0 H ALA A 23 24.095 -12.523 11.288 1.00 1.00 H new ATOM 0 HA ALA A 23 26.053 -10.944 10.187 1.00 1.00 H new ATOM 0 HB1 ALA A 23 25.681 -9.511 12.181 1.00 1.00 H new ATOM 0 HB2 ALA A 23 24.145 -10.146 11.546 1.00 1.00 H new ATOM 0 HB3 ALA A 23 24.873 -10.868 13.001 1.00 1.00 H new ATOM 344 N LYS A 24 27.122 -12.469 12.935 1.00 1.00 N ATOM 345 CA LYS A 24 28.340 -12.859 13.652 1.00 1.00 C ATOM 346 C LYS A 24 29.348 -13.491 12.689 1.00 1.00 C ATOM 347 O LYS A 24 30.360 -12.890 12.334 1.00 1.00 O ATOM 348 CB LYS A 24 27.968 -13.868 14.742 1.00 1.00 C ATOM 349 CG LYS A 24 27.094 -13.178 15.794 1.00 1.00 C ATOM 350 CD LYS A 24 26.567 -14.209 16.804 1.00 1.00 C ATOM 351 CE LYS A 24 27.685 -14.642 17.759 1.00 1.00 C ATOM 352 NZ LYS A 24 27.095 -15.403 18.896 1.00 1.00 N ATOM 0 H LYS A 24 26.255 -12.796 13.361 1.00 1.00 H new ATOM 0 HA LYS A 24 28.795 -11.975 14.098 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.434 -14.712 14.305 1.00 1.00 H new ATOM 0 HB3 LYS A 24 28.869 -14.267 15.207 1.00 1.00 H new ATOM 0 HG2 LYS A 24 27.672 -12.413 16.312 1.00 1.00 H new ATOM 0 HG3 LYS A 24 26.259 -12.673 15.309 1.00 1.00 H new ATOM 0 HD2 LYS A 24 25.740 -13.782 17.372 1.00 1.00 H new ATOM 0 HD3 LYS A 24 26.175 -15.078 16.275 1.00 1.00 H new ATOM 0 HE2 LYS A 24 28.411 -15.260 17.231 1.00 1.00 H new ATOM 0 HE3 LYS A 24 28.220 -13.768 18.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 27.851 -15.698 19.546 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 26.418 -14.799 19.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 26.603 -16.244 18.533 1.00 1.00 H new ATOM 366 N ASP A 25 29.066 -14.729 12.313 1.00 1.00 N ATOM 367 CA ASP A 25 29.956 -15.477 11.433 1.00 1.00 C ATOM 368 C ASP A 25 30.374 -14.577 10.282 1.00 1.00 C ATOM 369 O ASP A 25 31.536 -14.568 9.878 1.00 1.00 O ATOM 370 CB ASP A 25 29.252 -16.723 10.888 1.00 1.00 C ATOM 371 CG ASP A 25 29.100 -17.764 11.992 1.00 1.00 C ATOM 372 OD1 ASP A 25 29.668 -17.563 13.052 1.00 1.00 O ATOM 373 OD2 ASP A 25 28.418 -18.749 11.759 1.00 1.00 O ATOM 0 H ASP A 25 28.230 -15.238 12.602 1.00 1.00 H new ATOM 0 HA ASP A 25 30.833 -15.799 11.995 1.00 1.00 H new ATOM 0 HB2 ASP A 25 28.272 -16.454 10.494 1.00 1.00 H new ATOM 0 HB3 ASP A 25 29.825 -17.141 10.060 1.00 1.00 H new ATOM 378 N ALA A 26 29.427 -13.791 9.790 1.00 1.00 N ATOM 379 CA ALA A 26 29.719 -12.854 8.723 1.00 1.00 C ATOM 380 C ALA A 26 30.641 -11.747 9.243 1.00 1.00 C ATOM 381 O ALA A 26 31.568 -11.333 8.557 1.00 1.00 O ATOM 382 CB ALA A 26 28.423 -12.235 8.207 1.00 1.00 C ATOM 0 H ALA A 26 28.459 -13.785 10.111 1.00 1.00 H new ATOM 0 HA ALA A 26 30.214 -13.385 7.910 1.00 1.00 H new ATOM 0 HB1 ALA A 26 28.649 -11.532 7.405 1.00 1.00 H new ATOM 0 HB2 ALA A 26 27.771 -13.021 7.827 1.00 1.00 H new ATOM 0 HB3 ALA A 26 27.922 -11.709 9.020 1.00 1.00 H new ATOM 388 N LEU A 27 30.373 -11.265 10.462 1.00 1.00 N ATOM 389 CA LEU A 27 31.198 -10.193 11.047 1.00 1.00 C ATOM 390 C LEU A 27 32.648 -10.635 11.174 1.00 1.00 C ATOM 391 O LEU A 27 33.566 -9.893 10.839 1.00 1.00 O ATOM 392 CB LEU A 27 30.650 -9.779 12.429 1.00 1.00 C ATOM 393 CG LEU A 27 29.437 -8.836 12.266 1.00 1.00 C ATOM 394 CD1 LEU A 27 28.528 -8.942 13.498 1.00 1.00 C ATOM 395 CD2 LEU A 27 29.916 -7.385 12.133 1.00 1.00 C ATOM 0 H LEU A 27 29.609 -11.589 11.055 1.00 1.00 H new ATOM 0 HA LEU A 27 31.154 -9.333 10.379 1.00 1.00 H new ATOM 0 HB2 LEU A 27 30.357 -10.665 12.992 1.00 1.00 H new ATOM 0 HB3 LEU A 27 31.431 -9.281 13.003 1.00 1.00 H new ATOM 0 HG LEU A 27 28.887 -9.126 11.371 1.00 1.00 H new ATOM 0 HD11 LEU A 27 27.674 -8.275 13.379 1.00 1.00 H new ATOM 0 HD12 LEU A 27 28.175 -9.968 13.603 1.00 1.00 H new ATOM 0 HD13 LEU A 27 29.088 -8.658 14.389 1.00 1.00 H new ATOM 0 HD21 LEU A 27 29.055 -6.727 12.018 1.00 1.00 H new ATOM 0 HD22 LEU A 27 30.473 -7.102 13.026 1.00 1.00 H new ATOM 0 HD23 LEU A 27 30.561 -7.294 11.259 1.00 1.00 H new ATOM 407 N SER A 28 32.845 -11.843 11.655 1.00 1.00 N ATOM 408 CA SER A 28 34.196 -12.369 11.809 1.00 1.00 C ATOM 409 C SER A 28 34.879 -12.380 10.445 1.00 1.00 C ATOM 410 O SER A 28 36.100 -12.287 10.339 1.00 1.00 O ATOM 411 CB SER A 28 34.146 -13.790 12.374 1.00 1.00 C ATOM 412 OG SER A 28 33.409 -14.617 11.482 1.00 1.00 O ATOM 0 H SER A 28 32.101 -12.478 11.945 1.00 1.00 H new ATOM 0 HA SER A 28 34.756 -11.739 12.500 1.00 1.00 H new ATOM 0 HB2 SER A 28 35.156 -14.180 12.502 1.00 1.00 H new ATOM 0 HB3 SER A 28 33.678 -13.788 13.359 1.00 1.00 H new ATOM 0 HG SER A 28 32.882 -14.056 10.876 1.00 1.00 H new ATOM 418 N SER A 29 34.060 -12.487 9.408 1.00 1.00 N ATOM 419 CA SER A 29 34.587 -12.500 8.037 1.00 1.00 C ATOM 420 C SER A 29 35.040 -11.099 7.590 1.00 1.00 C ATOM 421 O SER A 29 35.491 -10.926 6.460 1.00 1.00 O ATOM 422 CB SER A 29 33.549 -13.033 7.052 1.00 1.00 C ATOM 423 OG SER A 29 34.205 -13.414 5.846 1.00 1.00 O ATOM 0 H SER A 29 33.045 -12.565 9.479 1.00 1.00 H new ATOM 0 HA SER A 29 35.452 -13.163 8.040 1.00 1.00 H new ATOM 0 HB2 SER A 29 33.026 -13.887 7.482 1.00 1.00 H new ATOM 0 HB3 SER A 29 32.798 -12.270 6.847 1.00 1.00 H new ATOM 0 HG SER A 29 34.857 -12.726 5.597 1.00 1.00 H new ATOM 429 N VAL A 30 34.907 -10.101 8.466 1.00 1.00 N ATOM 430 CA VAL A 30 35.294 -8.725 8.115 1.00 1.00 C ATOM 431 C VAL A 30 36.747 -8.633 7.643 1.00 1.00 C ATOM 432 O VAL A 30 37.225 -7.548 7.333 1.00 1.00 O ATOM 433 CB VAL A 30 35.089 -7.781 9.313 1.00 1.00 C ATOM 434 CG1 VAL A 30 33.574 -7.575 9.568 1.00 1.00 C ATOM 435 CG2 VAL A 30 35.782 -8.360 10.574 1.00 1.00 C ATOM 0 H VAL A 30 34.540 -10.212 9.411 1.00 1.00 H new ATOM 0 HA VAL A 30 34.650 -8.421 7.290 1.00 1.00 H new ATOM 0 HB VAL A 30 35.539 -6.814 9.088 1.00 1.00 H new ATOM 0 HG11 VAL A 30 33.436 -6.906 10.417 1.00 1.00 H new ATOM 0 HG12 VAL A 30 33.112 -7.138 8.683 1.00 1.00 H new ATOM 0 HG13 VAL A 30 33.107 -8.536 9.784 1.00 1.00 H new ATOM 0 HG21 VAL A 30 35.630 -7.684 11.415 1.00 1.00 H new ATOM 0 HG22 VAL A 30 35.354 -9.334 10.810 1.00 1.00 H new ATOM 0 HG23 VAL A 30 36.850 -8.470 10.384 1.00 1.00 H new ATOM 445 N GLN A 31 37.444 -9.762 7.604 1.00 1.00 N ATOM 446 CA GLN A 31 38.849 -9.781 7.171 1.00 1.00 C ATOM 447 C GLN A 31 39.053 -8.908 5.946 1.00 1.00 C ATOM 448 O GLN A 31 40.181 -8.533 5.625 1.00 1.00 O ATOM 449 CB GLN A 31 39.266 -11.215 6.838 1.00 1.00 C ATOM 450 CG GLN A 31 39.267 -12.066 8.108 1.00 1.00 C ATOM 451 CD GLN A 31 39.550 -13.523 7.751 1.00 1.00 C ATOM 452 OE1 GLN A 31 38.735 -14.171 7.093 1.00 1.00 O ATOM 453 NE2 GLN A 31 40.664 -14.080 8.140 1.00 1.00 N ATOM 0 H GLN A 31 37.069 -10.674 7.864 1.00 1.00 H new ATOM 0 HA GLN A 31 39.461 -9.392 7.985 1.00 1.00 H new ATOM 0 HB2 GLN A 31 38.581 -11.641 6.105 1.00 1.00 H new ATOM 0 HB3 GLN A 31 40.258 -11.219 6.387 1.00 1.00 H new ATOM 0 HG2 GLN A 31 40.022 -11.699 8.803 1.00 1.00 H new ATOM 0 HG3 GLN A 31 38.304 -11.985 8.612 1.00 1.00 H new ATOM 0 HE21 GLN A 31 41.339 -13.544 8.685 1.00 1.00 H new ATOM 0 HE22 GLN A 31 40.860 -15.052 7.899 1.00 1.00 H new ATOM 462 N GLU A 32 37.967 -8.563 5.282 1.00 1.00 N ATOM 463 CA GLU A 32 38.055 -7.706 4.117 1.00 1.00 C ATOM 464 C GLU A 32 38.348 -6.283 4.574 1.00 1.00 C ATOM 465 O GLU A 32 38.548 -5.383 3.760 1.00 1.00 O ATOM 466 CB GLU A 32 36.743 -7.751 3.335 1.00 1.00 C ATOM 467 CG GLU A 32 35.598 -7.279 4.234 1.00 1.00 C ATOM 468 CD GLU A 32 34.275 -7.376 3.485 1.00 1.00 C ATOM 469 OE1 GLU A 32 34.309 -7.644 2.296 1.00 1.00 O ATOM 470 OE2 GLU A 32 33.246 -7.188 4.115 1.00 1.00 O ATOM 0 H GLU A 32 37.022 -8.860 5.526 1.00 1.00 H new ATOM 0 HA GLU A 32 38.856 -8.052 3.464 1.00 1.00 H new ATOM 0 HB2 GLU A 32 36.812 -7.116 2.452 1.00 1.00 H new ATOM 0 HB3 GLU A 32 36.550 -8.765 2.985 1.00 1.00 H new ATOM 0 HG2 GLU A 32 35.559 -7.887 5.138 1.00 1.00 H new ATOM 0 HG3 GLU A 32 35.772 -6.250 4.549 1.00 1.00 H new ATOM 477 N SER A 33 38.374 -6.091 5.895 1.00 1.00 N ATOM 478 CA SER A 33 38.649 -4.781 6.461 1.00 1.00 C ATOM 479 C SER A 33 40.004 -4.294 5.985 1.00 1.00 C ATOM 480 O SER A 33 40.312 -3.106 6.055 1.00 1.00 O ATOM 481 CB SER A 33 38.636 -4.832 7.988 1.00 1.00 C ATOM 482 OG SER A 33 38.853 -3.520 8.497 1.00 1.00 O ATOM 0 H SER A 33 38.208 -6.825 6.584 1.00 1.00 H new ATOM 0 HA SER A 33 37.870 -4.094 6.130 1.00 1.00 H new ATOM 0 HB2 SER A 33 37.682 -5.221 8.344 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.411 -5.509 8.349 1.00 1.00 H new ATOM 0 HG SER A 33 38.845 -3.544 9.477 1.00 1.00 H new ATOM 488 N GLN A 34 40.816 -5.227 5.506 1.00 1.00 N ATOM 489 CA GLN A 34 42.152 -4.879 5.029 1.00 1.00 C ATOM 490 C GLN A 34 42.095 -3.727 4.024 1.00 1.00 C ATOM 491 O GLN A 34 43.131 -3.180 3.647 1.00 1.00 O ATOM 492 CB GLN A 34 42.815 -6.091 4.380 1.00 1.00 C ATOM 493 CG GLN A 34 43.142 -7.126 5.457 1.00 1.00 C ATOM 494 CD GLN A 34 43.726 -8.379 4.821 1.00 1.00 C ATOM 495 OE1 GLN A 34 43.914 -8.431 3.605 1.00 1.00 O ATOM 496 NE2 GLN A 34 44.031 -9.396 5.577 1.00 1.00 N ATOM 0 H GLN A 34 40.580 -6.217 5.437 1.00 1.00 H new ATOM 0 HA GLN A 34 42.741 -4.561 5.889 1.00 1.00 H new ATOM 0 HB2 GLN A 34 42.152 -6.525 3.632 1.00 1.00 H new ATOM 0 HB3 GLN A 34 43.725 -5.788 3.862 1.00 1.00 H new ATOM 0 HG2 GLN A 34 43.851 -6.707 6.171 1.00 1.00 H new ATOM 0 HG3 GLN A 34 42.240 -7.379 6.015 1.00 1.00 H new ATOM 0 HE21 GLN A 34 43.874 -9.349 6.584 1.00 1.00 H new ATOM 0 HE22 GLN A 34 44.427 -10.239 5.162 1.00 1.00 H new ATOM 505 N VAL A 35 40.888 -3.366 3.583 1.00 1.00 N ATOM 506 CA VAL A 35 40.718 -2.275 2.614 1.00 1.00 C ATOM 507 C VAL A 35 41.600 -1.066 2.967 1.00 1.00 C ATOM 508 O VAL A 35 41.788 -0.171 2.148 1.00 1.00 O ATOM 509 CB VAL A 35 39.244 -1.841 2.577 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.416 -2.861 1.778 1.00 1.00 C ATOM 511 CG2 VAL A 35 38.711 -1.762 4.009 1.00 1.00 C ATOM 0 H VAL A 35 40.017 -3.808 3.878 1.00 1.00 H new ATOM 0 HA VAL A 35 41.023 -2.644 1.635 1.00 1.00 H new ATOM 0 HB VAL A 35 39.165 -0.866 2.097 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.373 -2.546 1.757 1.00 1.00 H new ATOM 0 HG12 VAL A 35 38.798 -2.921 0.759 1.00 1.00 H new ATOM 0 HG13 VAL A 35 38.490 -3.840 2.251 1.00 1.00 H new ATOM 0 HG21 VAL A 35 37.665 -1.455 3.992 1.00 1.00 H new ATOM 0 HG22 VAL A 35 38.794 -2.740 4.483 1.00 1.00 H new ATOM 0 HG23 VAL A 35 39.294 -1.035 4.574 1.00 1.00 H new ATOM 521 N ALA A 36 42.174 -1.072 4.168 1.00 1.00 N ATOM 522 CA ALA A 36 43.074 0.009 4.578 1.00 1.00 C ATOM 523 C ALA A 36 44.069 0.279 3.463 1.00 1.00 C ATOM 524 O ALA A 36 44.064 1.356 2.866 1.00 1.00 O ATOM 525 CB ALA A 36 43.820 -0.389 5.852 1.00 1.00 C ATOM 0 H ALA A 36 42.036 -1.802 4.867 1.00 1.00 H new ATOM 0 HA ALA A 36 42.493 0.910 4.777 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.487 0.420 6.151 1.00 1.00 H new ATOM 0 HB2 ALA A 36 43.102 -0.580 6.649 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.403 -1.291 5.665 1.00 1.00 H new ATOM 531 N GLN A 37 44.934 -0.704 3.196 1.00 1.00 N ATOM 532 CA GLN A 37 45.943 -0.550 2.147 1.00 1.00 C ATOM 533 C GLN A 37 45.322 0.168 0.947 1.00 1.00 C ATOM 534 O GLN A 37 45.954 1.030 0.337 1.00 1.00 O ATOM 535 CB GLN A 37 46.495 -1.913 1.716 1.00 1.00 C ATOM 536 CG GLN A 37 47.356 -2.500 2.841 1.00 1.00 C ATOM 537 CD GLN A 37 47.845 -3.893 2.454 1.00 1.00 C ATOM 538 OE1 GLN A 37 47.038 -4.798 2.237 1.00 1.00 O ATOM 539 NE2 GLN A 37 49.127 -4.121 2.353 1.00 1.00 N ATOM 0 H GLN A 37 44.956 -1.600 3.683 1.00 1.00 H new ATOM 0 HA GLN A 37 46.770 0.041 2.540 1.00 1.00 H new ATOM 0 HB2 GLN A 37 45.674 -2.591 1.481 1.00 1.00 H new ATOM 0 HB3 GLN A 37 47.089 -1.805 0.808 1.00 1.00 H new ATOM 0 HG2 GLN A 37 48.208 -1.848 3.036 1.00 1.00 H new ATOM 0 HG3 GLN A 37 46.777 -2.552 3.763 1.00 1.00 H new ATOM 0 HE21 GLN A 37 49.794 -3.371 2.533 1.00 1.00 H new ATOM 0 HE22 GLN A 37 49.461 -5.049 2.094 1.00 1.00 H new ATOM 548 N GLN A 38 44.073 -0.179 0.628 1.00 1.00 N ATOM 549 CA GLN A 38 43.376 0.463 -0.483 1.00 1.00 C ATOM 550 C GLN A 38 43.207 1.945 -0.163 1.00 1.00 C ATOM 551 O GLN A 38 43.659 2.810 -0.905 1.00 1.00 O ATOM 552 CB GLN A 38 41.993 -0.194 -0.662 1.00 1.00 C ATOM 553 CG GLN A 38 41.568 -0.143 -2.128 1.00 1.00 C ATOM 554 CD GLN A 38 42.351 -1.182 -2.919 1.00 1.00 C ATOM 555 OE1 GLN A 38 43.171 -0.832 -3.767 1.00 1.00 O ATOM 556 NE2 GLN A 38 42.151 -2.448 -2.677 1.00 1.00 N ATOM 0 H GLN A 38 43.531 -0.892 1.117 1.00 1.00 H new ATOM 0 HA GLN A 38 43.948 0.349 -1.404 1.00 1.00 H new ATOM 0 HB2 GLN A 38 42.028 -1.229 -0.322 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.256 0.320 -0.045 1.00 1.00 H new ATOM 0 HG2 GLN A 38 40.498 -0.334 -2.215 1.00 1.00 H new ATOM 0 HG3 GLN A 38 41.748 0.852 -2.536 1.00 1.00 H new ATOM 0 HE21 GLN A 38 41.470 -2.731 -1.973 1.00 1.00 H new ATOM 0 HE22 GLN A 38 42.676 -3.155 -3.192 1.00 1.00 H new ATOM 565 N ALA A 39 42.550 2.218 0.959 1.00 1.00 N ATOM 566 CA ALA A 39 42.339 3.601 1.378 1.00 1.00 C ATOM 567 C ALA A 39 43.654 4.359 1.237 1.00 1.00 C ATOM 568 O ALA A 39 43.729 5.371 0.542 1.00 1.00 O ATOM 569 CB ALA A 39 41.854 3.666 2.825 1.00 1.00 C ATOM 0 H ALA A 39 42.160 1.514 1.586 1.00 1.00 H new ATOM 0 HA ALA A 39 41.573 4.053 0.748 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.705 4.707 3.112 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.912 3.125 2.918 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.599 3.212 3.479 1.00 1.00 H new ATOM 575 N ARG A 40 44.696 3.844 1.889 1.00 1.00 N ATOM 576 CA ARG A 40 46.021 4.469 1.811 1.00 1.00 C ATOM 577 C ARG A 40 46.489 4.542 0.360 1.00 1.00 C ATOM 578 O ARG A 40 47.488 5.182 0.036 1.00 1.00 O ATOM 579 CB ARG A 40 47.031 3.675 2.647 1.00 1.00 C ATOM 580 CG ARG A 40 46.718 3.833 4.135 1.00 1.00 C ATOM 581 CD ARG A 40 47.691 2.979 4.953 1.00 1.00 C ATOM 582 NE ARG A 40 47.423 3.121 6.380 1.00 1.00 N ATOM 583 CZ ARG A 40 48.298 2.698 7.292 1.00 1.00 C ATOM 584 NH1 ARG A 40 49.429 2.164 6.915 1.00 1.00 N ATOM 585 NH2 ARG A 40 48.024 2.814 8.563 1.00 1.00 N ATOM 0 H ARG A 40 44.653 3.007 2.470 1.00 1.00 H new ATOM 0 HA ARG A 40 45.951 5.481 2.209 1.00 1.00 H new ATOM 0 HB2 ARG A 40 46.996 2.621 2.370 1.00 1.00 H new ATOM 0 HB3 ARG A 40 48.042 4.026 2.440 1.00 1.00 H new ATOM 0 HG2 ARG A 40 46.802 4.880 4.426 1.00 1.00 H new ATOM 0 HG3 ARG A 40 45.691 3.528 4.336 1.00 1.00 H new ATOM 0 HD2 ARG A 40 47.598 1.933 4.662 1.00 1.00 H new ATOM 0 HD3 ARG A 40 48.716 3.280 4.738 1.00 1.00 H new ATOM 0 HE ARG A 40 46.550 3.552 6.685 1.00 1.00 H new ATOM 0 HH11 ARG A 40 49.643 2.071 5.922 1.00 1.00 H new ATOM 0 HH12 ARG A 40 50.098 1.841 7.614 1.00 1.00 H new ATOM 0 HH21 ARG A 40 47.140 3.228 8.858 1.00 1.00 H new ATOM 0 HH22 ARG A 40 48.694 2.490 9.261 1.00 1.00 H new ATOM 599 N GLY A 41 45.715 3.903 -0.484 1.00 1.00 N ATOM 600 CA GLY A 41 45.987 3.903 -1.909 1.00 1.00 C ATOM 601 C GLY A 41 45.548 5.230 -2.512 1.00 1.00 C ATOM 602 O GLY A 41 46.348 5.960 -3.098 1.00 1.00 O ATOM 0 H GLY A 41 44.887 3.373 -0.211 1.00 1.00 H new ATOM 0 HA2 GLY A 41 47.051 3.745 -2.087 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.458 3.080 -2.391 1.00 1.00 H new ATOM 606 N TRP A 42 44.255 5.504 -2.405 1.00 1.00 N ATOM 607 CA TRP A 42 43.684 6.725 -2.990 1.00 1.00 C ATOM 608 C TRP A 42 44.541 7.942 -2.656 1.00 1.00 C ATOM 609 O TRP A 42 44.448 8.981 -3.310 1.00 1.00 O ATOM 610 CB TRP A 42 42.247 6.946 -2.503 1.00 1.00 C ATOM 611 CG TRP A 42 41.333 5.928 -3.123 1.00 1.00 C ATOM 612 CD1 TRP A 42 40.884 4.814 -2.503 1.00 1.00 C ATOM 613 CD2 TRP A 42 40.743 5.913 -4.463 1.00 1.00 C ATOM 614 NE1 TRP A 42 40.062 4.117 -3.368 1.00 1.00 N ATOM 615 CE2 TRP A 42 39.943 4.751 -4.587 1.00 1.00 C ATOM 616 CE3 TRP A 42 40.822 6.780 -5.570 1.00 1.00 C ATOM 617 CZ2 TRP A 42 39.247 4.459 -5.761 1.00 1.00 C ATOM 618 CZ3 TRP A 42 40.122 6.488 -6.755 1.00 1.00 C ATOM 619 CH2 TRP A 42 39.337 5.331 -6.849 1.00 1.00 C ATOM 0 H TRP A 42 43.581 4.908 -1.925 1.00 1.00 H new ATOM 0 HA TRP A 42 43.669 6.597 -4.072 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.207 6.869 -1.416 1.00 1.00 H new ATOM 0 HB3 TRP A 42 41.916 7.951 -2.764 1.00 1.00 H new ATOM 0 HD1 TRP A 42 41.128 4.516 -1.494 1.00 1.00 H new ATOM 0 HE1 TRP A 42 39.599 3.239 -3.133 1.00 1.00 H new ATOM 0 HE3 TRP A 42 41.424 7.675 -5.509 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 38.643 3.566 -5.828 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 40.190 7.160 -7.598 1.00 1.00 H new ATOM 0 HH2 TRP A 42 38.802 5.114 -7.762 1.00 1.00 H new ATOM 630 N VAL A 43 45.388 7.795 -1.651 1.00 1.00 N ATOM 631 CA VAL A 43 46.282 8.872 -1.238 1.00 1.00 C ATOM 632 C VAL A 43 47.061 9.418 -2.433 1.00 1.00 C ATOM 633 O VAL A 43 46.867 10.562 -2.845 1.00 1.00 O ATOM 634 CB VAL A 43 47.248 8.340 -0.190 1.00 1.00 C ATOM 635 CG1 VAL A 43 48.265 9.422 0.172 1.00 1.00 C ATOM 636 CG2 VAL A 43 46.455 7.941 1.052 1.00 1.00 C ATOM 0 H VAL A 43 45.478 6.940 -1.103 1.00 1.00 H new ATOM 0 HA VAL A 43 45.689 9.685 -0.819 1.00 1.00 H new ATOM 0 HB VAL A 43 47.780 7.474 -0.583 1.00 1.00 H new ATOM 0 HG11 VAL A 43 48.955 9.036 0.923 1.00 1.00 H new ATOM 0 HG12 VAL A 43 48.823 9.710 -0.719 1.00 1.00 H new ATOM 0 HG13 VAL A 43 47.744 10.292 0.571 1.00 1.00 H new ATOM 0 HG21 VAL A 43 47.137 7.558 1.811 1.00 1.00 H new ATOM 0 HG22 VAL A 43 45.929 8.812 1.443 1.00 1.00 H new ATOM 0 HG23 VAL A 43 45.733 7.168 0.790 1.00 1.00 H new ATOM 646 N THR A 44 47.964 8.598 -2.963 1.00 1.00 N ATOM 647 CA THR A 44 48.791 9.022 -4.087 1.00 1.00 C ATOM 648 C THR A 44 47.909 9.483 -5.236 1.00 1.00 C ATOM 649 O THR A 44 48.267 10.400 -5.973 1.00 1.00 O ATOM 650 CB THR A 44 49.686 7.873 -4.558 1.00 1.00 C ATOM 651 OG1 THR A 44 48.881 6.742 -4.862 1.00 1.00 O ATOM 652 CG2 THR A 44 50.685 7.516 -3.457 1.00 1.00 C ATOM 0 H THR A 44 48.140 7.648 -2.637 1.00 1.00 H new ATOM 0 HA THR A 44 49.421 9.849 -3.759 1.00 1.00 H new ATOM 0 HB THR A 44 50.232 8.179 -5.451 1.00 1.00 H new ATOM 0 HG1 THR A 44 49.452 6.006 -5.165 1.00 1.00 H new ATOM 0 HG21 THR A 44 51.321 6.698 -3.794 1.00 1.00 H new ATOM 0 HG22 THR A 44 51.302 8.385 -3.230 1.00 1.00 H new ATOM 0 HG23 THR A 44 50.145 7.210 -2.561 1.00 1.00 H new ATOM 660 N ASP A 45 46.758 8.846 -5.389 1.00 1.00 N ATOM 661 CA ASP A 45 45.835 9.205 -6.456 1.00 1.00 C ATOM 662 C ASP A 45 45.215 10.578 -6.194 1.00 1.00 C ATOM 663 O ASP A 45 44.150 10.896 -6.720 1.00 1.00 O ATOM 664 CB ASP A 45 44.727 8.154 -6.547 1.00 1.00 C ATOM 665 CG ASP A 45 43.952 8.319 -7.850 1.00 1.00 C ATOM 666 OD1 ASP A 45 44.499 8.900 -8.773 1.00 1.00 O ATOM 667 OD2 ASP A 45 42.824 7.862 -7.906 1.00 1.00 O ATOM 0 H ASP A 45 46.442 8.082 -4.792 1.00 1.00 H new ATOM 0 HA ASP A 45 46.386 9.245 -7.395 1.00 1.00 H new ATOM 0 HB2 ASP A 45 45.159 7.154 -6.496 1.00 1.00 H new ATOM 0 HB3 ASP A 45 44.051 8.253 -5.698 1.00 1.00 H new ATOM 672 N GLY A 46 45.896 11.397 -5.390 1.00 1.00 N ATOM 673 CA GLY A 46 45.396 12.732 -5.093 1.00 1.00 C ATOM 674 C GLY A 46 44.102 12.664 -4.292 1.00 1.00 C ATOM 675 O GLY A 46 43.113 13.304 -4.647 1.00 1.00 O ATOM 0 H GLY A 46 46.781 11.161 -4.941 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.146 13.289 -4.532 1.00 1.00 H new ATOM 0 HA3 GLY A 46 45.225 13.275 -6.022 1.00 1.00 H new ATOM 679 N PHE A 47 44.115 11.908 -3.198 1.00 1.00 N ATOM 680 CA PHE A 47 42.936 11.796 -2.348 1.00 1.00 C ATOM 681 C PHE A 47 42.444 13.180 -1.933 1.00 1.00 C ATOM 682 O PHE A 47 41.242 13.441 -1.910 1.00 1.00 O ATOM 683 CB PHE A 47 43.259 10.967 -1.101 1.00 1.00 C ATOM 684 CG PHE A 47 42.071 10.969 -0.166 1.00 1.00 C ATOM 685 CD1 PHE A 47 41.859 12.063 0.682 1.00 1.00 C ATOM 686 CD2 PHE A 47 41.183 9.887 -0.149 1.00 1.00 C ATOM 687 CE1 PHE A 47 40.760 12.075 1.547 1.00 1.00 C ATOM 688 CE2 PHE A 47 40.084 9.898 0.718 1.00 1.00 C ATOM 689 CZ PHE A 47 39.872 10.992 1.566 1.00 1.00 C ATOM 0 H PHE A 47 44.921 11.369 -2.882 1.00 1.00 H new ATOM 0 HA PHE A 47 42.150 11.297 -2.915 1.00 1.00 H new ATOM 0 HB2 PHE A 47 43.508 9.945 -1.386 1.00 1.00 H new ATOM 0 HB3 PHE A 47 44.133 11.378 -0.595 1.00 1.00 H new ATOM 0 HD1 PHE A 47 42.544 12.898 0.668 1.00 1.00 H new ATOM 0 HD2 PHE A 47 41.346 9.044 -0.804 1.00 1.00 H new ATOM 0 HE1 PHE A 47 40.596 12.919 2.200 1.00 1.00 H new ATOM 0 HE2 PHE A 47 39.400 9.063 0.733 1.00 1.00 H new ATOM 0 HZ PHE A 47 39.024 11.001 2.235 1.00 1.00 H new ATOM 699 N SER A 48 43.385 14.057 -1.591 1.00 1.00 N ATOM 700 CA SER A 48 43.039 15.405 -1.157 1.00 1.00 C ATOM 701 C SER A 48 41.995 16.016 -2.077 1.00 1.00 C ATOM 702 O SER A 48 41.249 16.906 -1.669 1.00 1.00 O ATOM 703 CB SER A 48 44.282 16.292 -1.143 1.00 1.00 C ATOM 704 OG SER A 48 44.789 16.414 -2.465 1.00 1.00 O ATOM 0 H SER A 48 44.385 13.859 -1.606 1.00 1.00 H new ATOM 0 HA SER A 48 42.628 15.339 -0.149 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.036 17.276 -0.744 1.00 1.00 H new ATOM 0 HB3 SER A 48 45.041 15.863 -0.489 1.00 1.00 H new ATOM 0 HG SER A 48 45.586 16.984 -2.458 1.00 1.00 H new ATOM 710 N SER A 49 41.951 15.565 -3.327 1.00 1.00 N ATOM 711 CA SER A 49 41.002 16.116 -4.282 1.00 1.00 C ATOM 712 C SER A 49 39.598 16.115 -3.701 1.00 1.00 C ATOM 713 O SER A 49 38.699 16.770 -4.228 1.00 1.00 O ATOM 714 CB SER A 49 41.019 15.271 -5.557 1.00 1.00 C ATOM 715 OG SER A 49 42.272 15.428 -6.213 1.00 1.00 O ATOM 0 H SER A 49 42.553 14.830 -3.697 1.00 1.00 H new ATOM 0 HA SER A 49 41.289 17.143 -4.508 1.00 1.00 H new ATOM 0 HB2 SER A 49 40.853 14.222 -5.313 1.00 1.00 H new ATOM 0 HB3 SER A 49 40.209 15.576 -6.219 1.00 1.00 H new ATOM 0 HG SER A 49 42.905 14.763 -5.872 1.00 1.00 H new ATOM 721 N LEU A 50 39.423 15.408 -2.592 1.00 1.00 N ATOM 722 CA LEU A 50 38.134 15.366 -1.918 1.00 1.00 C ATOM 723 C LEU A 50 37.936 16.651 -1.119 1.00 1.00 C ATOM 724 O LEU A 50 36.818 17.126 -0.959 1.00 1.00 O ATOM 725 CB LEU A 50 38.071 14.150 -0.980 1.00 1.00 C ATOM 726 CG LEU A 50 37.731 12.874 -1.780 1.00 1.00 C ATOM 727 CD1 LEU A 50 38.267 11.647 -1.042 1.00 1.00 C ATOM 728 CD2 LEU A 50 36.210 12.731 -1.926 1.00 1.00 C ATOM 0 H LEU A 50 40.155 14.858 -2.142 1.00 1.00 H new ATOM 0 HA LEU A 50 37.342 15.278 -2.661 1.00 1.00 H new ATOM 0 HB2 LEU A 50 39.027 14.025 -0.471 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.319 14.315 -0.209 1.00 1.00 H new ATOM 0 HG LEU A 50 38.189 12.949 -2.766 1.00 1.00 H new ATOM 0 HD11 LEU A 50 38.026 10.748 -1.609 1.00 1.00 H new ATOM 0 HD12 LEU A 50 39.349 11.730 -0.936 1.00 1.00 H new ATOM 0 HD13 LEU A 50 37.809 11.588 -0.055 1.00 1.00 H new ATOM 0 HD21 LEU A 50 35.982 11.828 -2.492 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.754 12.665 -0.938 1.00 1.00 H new ATOM 0 HD23 LEU A 50 35.812 13.599 -2.452 1.00 1.00 H new ATOM 740 N LYS A 51 39.045 17.206 -0.629 1.00 1.00 N ATOM 741 CA LYS A 51 39.001 18.437 0.156 1.00 1.00 C ATOM 742 C LYS A 51 38.381 19.562 -0.661 1.00 1.00 C ATOM 743 O LYS A 51 37.499 20.278 -0.188 1.00 1.00 O ATOM 744 CB LYS A 51 40.421 18.828 0.576 1.00 1.00 C ATOM 745 CG LYS A 51 40.373 20.042 1.506 1.00 1.00 C ATOM 746 CD LYS A 51 41.791 20.397 1.959 1.00 1.00 C ATOM 747 CE LYS A 51 41.736 21.601 2.900 1.00 1.00 C ATOM 748 NZ LYS A 51 40.963 21.239 4.120 1.00 1.00 N ATOM 0 H LYS A 51 39.981 16.823 -0.762 1.00 1.00 H new ATOM 0 HA LYS A 51 38.391 18.269 1.043 1.00 1.00 H new ATOM 0 HB2 LYS A 51 40.904 17.991 1.081 1.00 1.00 H new ATOM 0 HB3 LYS A 51 41.020 19.057 -0.305 1.00 1.00 H new ATOM 0 HG2 LYS A 51 39.922 20.890 0.991 1.00 1.00 H new ATOM 0 HG3 LYS A 51 39.747 19.825 2.372 1.00 1.00 H new ATOM 0 HD2 LYS A 51 42.247 19.546 2.465 1.00 1.00 H new ATOM 0 HD3 LYS A 51 42.415 20.625 1.095 1.00 1.00 H new ATOM 0 HE2 LYS A 51 42.745 21.909 3.173 1.00 1.00 H new ATOM 0 HE3 LYS A 51 41.269 22.448 2.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 41.223 21.878 4.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 39.945 21.327 3.925 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 41.180 20.258 4.390 1.00 1.00 H new ATOM 762 N ASP A 52 38.840 19.701 -1.899 1.00 1.00 N ATOM 763 CA ASP A 52 38.307 20.732 -2.774 1.00 1.00 C ATOM 764 C ASP A 52 36.801 20.565 -2.889 1.00 1.00 C ATOM 765 O ASP A 52 36.035 21.446 -2.496 1.00 1.00 O ATOM 766 CB ASP A 52 38.950 20.642 -4.158 1.00 1.00 C ATOM 767 CG ASP A 52 38.372 21.716 -5.072 1.00 1.00 C ATOM 768 OD1 ASP A 52 37.442 22.385 -4.654 1.00 1.00 O ATOM 769 OD2 ASP A 52 38.868 21.854 -6.178 1.00 1.00 O ATOM 0 H ASP A 52 39.570 19.121 -2.313 1.00 1.00 H new ATOM 0 HA ASP A 52 38.534 21.711 -2.352 1.00 1.00 H new ATOM 0 HB2 ASP A 52 40.030 20.766 -4.075 1.00 1.00 H new ATOM 0 HB3 ASP A 52 38.774 19.655 -4.586 1.00 1.00 H new ATOM 774 N TYR A 53 36.377 19.434 -3.440 1.00 1.00 N ATOM 775 CA TYR A 53 34.956 19.179 -3.605 1.00 1.00 C ATOM 776 C TYR A 53 34.259 19.179 -2.252 1.00 1.00 C ATOM 777 O TYR A 53 33.225 19.820 -2.094 1.00 1.00 O ATOM 778 CB TYR A 53 34.736 17.827 -4.293 1.00 1.00 C ATOM 779 CG TYR A 53 35.043 17.943 -5.768 1.00 1.00 C ATOM 780 CD1 TYR A 53 36.370 18.044 -6.200 1.00 1.00 C ATOM 781 CD2 TYR A 53 34.001 17.938 -6.705 1.00 1.00 C ATOM 782 CE1 TYR A 53 36.658 18.141 -7.566 1.00 1.00 C ATOM 783 CE2 TYR A 53 34.288 18.036 -8.071 1.00 1.00 C ATOM 784 CZ TYR A 53 35.617 18.136 -8.502 1.00 1.00 C ATOM 785 OH TYR A 53 35.900 18.229 -9.849 1.00 1.00 O ATOM 0 H TYR A 53 36.989 18.690 -3.775 1.00 1.00 H new ATOM 0 HA TYR A 53 34.534 19.970 -4.225 1.00 1.00 H new ATOM 0 HB2 TYR A 53 35.375 17.070 -3.838 1.00 1.00 H new ATOM 0 HB3 TYR A 53 33.705 17.501 -4.152 1.00 1.00 H new ATOM 0 HD1 TYR A 53 37.173 18.047 -5.478 1.00 1.00 H new ATOM 0 HD2 TYR A 53 32.976 17.859 -6.373 1.00 1.00 H new ATOM 0 HE1 TYR A 53 37.683 18.220 -7.898 1.00 1.00 H new ATOM 0 HE2 TYR A 53 33.485 18.035 -8.793 1.00 1.00 H new ATOM 0 HH TYR A 53 35.065 18.210 -10.361 1.00 1.00 H new ATOM 795 N TRP A 54 34.828 18.470 -1.278 1.00 1.00 N ATOM 796 CA TRP A 54 34.228 18.420 0.051 1.00 1.00 C ATOM 797 C TRP A 54 34.118 19.828 0.626 1.00 1.00 C ATOM 798 O TRP A 54 33.035 20.281 0.995 1.00 1.00 O ATOM 799 CB TRP A 54 35.082 17.548 0.973 1.00 1.00 C ATOM 800 CG TRP A 54 34.450 17.469 2.321 1.00 1.00 C ATOM 801 CD1 TRP A 54 34.991 17.960 3.457 1.00 1.00 C ATOM 802 CD2 TRP A 54 33.178 16.869 2.695 1.00 1.00 C ATOM 803 NE1 TRP A 54 34.134 17.696 4.508 1.00 1.00 N ATOM 804 CE2 TRP A 54 33.000 17.027 4.089 1.00 1.00 C ATOM 805 CE3 TRP A 54 32.169 16.211 1.968 1.00 1.00 C ATOM 806 CZ2 TRP A 54 31.864 16.547 4.741 1.00 1.00 C ATOM 807 CZ3 TRP A 54 31.024 15.726 2.621 1.00 1.00 C ATOM 808 CH2 TRP A 54 30.871 15.895 4.003 1.00 1.00 C ATOM 0 H TRP A 54 35.688 17.932 -1.382 1.00 1.00 H new ATOM 0 HA TRP A 54 33.230 17.989 -0.026 1.00 1.00 H new ATOM 0 HB2 TRP A 54 35.185 16.549 0.551 1.00 1.00 H new ATOM 0 HB3 TRP A 54 36.086 17.965 1.056 1.00 1.00 H new ATOM 0 HD1 TRP A 54 35.938 18.474 3.532 1.00 1.00 H new ATOM 0 HE1 TRP A 54 34.316 17.963 5.476 1.00 1.00 H new ATOM 0 HE3 TRP A 54 32.276 16.078 0.902 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 31.752 16.678 5.807 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 30.257 15.220 2.054 1.00 1.00 H new ATOM 0 HH2 TRP A 54 29.987 15.522 4.498 1.00 1.00 H new ATOM 819 N SER A 55 35.248 20.521 0.694 1.00 1.00 N ATOM 820 CA SER A 55 35.263 21.879 1.218 1.00 1.00 C ATOM 821 C SER A 55 34.179 22.716 0.544 1.00 1.00 C ATOM 822 O SER A 55 33.565 23.578 1.172 1.00 1.00 O ATOM 823 CB SER A 55 36.633 22.521 0.987 1.00 1.00 C ATOM 824 OG SER A 55 36.635 23.828 1.544 1.00 1.00 O ATOM 0 H SER A 55 36.157 20.168 0.396 1.00 1.00 H new ATOM 0 HA SER A 55 35.067 21.840 2.289 1.00 1.00 H new ATOM 0 HB2 SER A 55 37.414 21.915 1.447 1.00 1.00 H new ATOM 0 HB3 SER A 55 36.851 22.567 -0.080 1.00 1.00 H new ATOM 0 HG SER A 55 37.511 24.244 1.400 1.00 1.00 H new ATOM 830 N THR A 56 33.941 22.446 -0.738 1.00 1.00 N ATOM 831 CA THR A 56 32.915 23.181 -1.474 1.00 1.00 C ATOM 832 C THR A 56 31.513 22.742 -1.039 1.00 1.00 C ATOM 833 O THR A 56 30.835 23.458 -0.301 1.00 1.00 O ATOM 834 CB THR A 56 33.080 22.945 -2.976 1.00 1.00 C ATOM 835 OG1 THR A 56 34.415 23.249 -3.359 1.00 1.00 O ATOM 836 CG2 THR A 56 32.109 23.842 -3.743 1.00 1.00 C ATOM 0 H THR A 56 34.434 21.737 -1.281 1.00 1.00 H new ATOM 0 HA THR A 56 33.033 24.242 -1.255 1.00 1.00 H new ATOM 0 HB THR A 56 32.866 21.901 -3.206 1.00 1.00 H new ATOM 0 HG1 THR A 56 34.950 22.428 -3.361 1.00 1.00 H new ATOM 0 HG21 THR A 56 32.227 23.674 -4.814 1.00 1.00 H new ATOM 0 HG22 THR A 56 31.086 23.606 -3.449 1.00 1.00 H new ATOM 0 HG23 THR A 56 32.321 24.887 -3.514 1.00 1.00 H new ATOM 844 N VAL A 57 31.072 21.578 -1.522 1.00 1.00 N ATOM 845 CA VAL A 57 29.731 21.078 -1.194 1.00 1.00 C ATOM 846 C VAL A 57 29.400 21.340 0.272 1.00 1.00 C ATOM 847 O VAL A 57 28.440 22.047 0.579 1.00 1.00 O ATOM 848 CB VAL A 57 29.633 19.573 -1.496 1.00 1.00 C ATOM 849 CG1 VAL A 57 30.690 18.802 -0.691 1.00 1.00 C ATOM 850 CG2 VAL A 57 28.235 19.060 -1.127 1.00 1.00 C ATOM 0 H VAL A 57 31.615 20.969 -2.134 1.00 1.00 H new ATOM 0 HA VAL A 57 29.008 21.611 -1.812 1.00 1.00 H new ATOM 0 HB VAL A 57 29.810 19.416 -2.560 1.00 1.00 H new ATOM 0 HG11 VAL A 57 30.611 17.738 -0.913 1.00 1.00 H new ATOM 0 HG12 VAL A 57 31.684 19.157 -0.963 1.00 1.00 H new ATOM 0 HG13 VAL A 57 30.525 18.964 0.374 1.00 1.00 H new ATOM 0 HG21 VAL A 57 28.170 17.994 -1.343 1.00 1.00 H new ATOM 0 HG22 VAL A 57 28.055 19.227 -0.065 1.00 1.00 H new ATOM 0 HG23 VAL A 57 27.486 19.594 -1.711 1.00 1.00 H new ATOM 860 N LYS A 58 30.199 20.781 1.175 1.00 1.00 N ATOM 861 CA LYS A 58 29.979 20.976 2.603 1.00 1.00 C ATOM 862 C LYS A 58 29.612 22.425 2.906 1.00 1.00 C ATOM 863 O LYS A 58 28.508 22.714 3.361 1.00 1.00 O ATOM 864 CB LYS A 58 31.253 20.604 3.359 1.00 1.00 C ATOM 865 CG LYS A 58 31.011 20.698 4.864 1.00 1.00 C ATOM 866 CD LYS A 58 32.278 20.276 5.607 1.00 1.00 C ATOM 867 CE LYS A 58 32.043 20.392 7.111 1.00 1.00 C ATOM 868 NZ LYS A 58 30.950 19.463 7.511 1.00 1.00 N ATOM 0 H LYS A 58 31.000 20.193 0.945 1.00 1.00 H new ATOM 0 HA LYS A 58 29.153 20.340 2.920 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.561 19.593 3.094 1.00 1.00 H new ATOM 0 HB3 LYS A 58 32.065 21.271 3.070 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.738 21.717 5.137 1.00 1.00 H new ATOM 0 HG3 LYS A 58 30.177 20.057 5.151 1.00 1.00 H new ATOM 0 HD2 LYS A 58 32.542 19.251 5.346 1.00 1.00 H new ATOM 0 HD3 LYS A 58 33.116 20.906 5.308 1.00 1.00 H new ATOM 0 HE2 LYS A 58 32.957 20.151 7.653 1.00 1.00 H new ATOM 0 HE3 LYS A 58 31.778 21.417 7.371 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 31.027 19.253 8.527 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 30.029 19.907 7.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 31.029 18.580 6.968 1.00 1.00 H new ATOM 882 N ASP A 59 30.548 23.330 2.659 1.00 1.00 N ATOM 883 CA ASP A 59 30.307 24.740 2.922 1.00 1.00 C ATOM 884 C ASP A 59 29.120 25.234 2.109 1.00 1.00 C ATOM 885 O ASP A 59 28.259 25.948 2.626 1.00 1.00 O ATOM 886 CB ASP A 59 31.554 25.557 2.573 1.00 1.00 C ATOM 887 CG ASP A 59 31.306 27.035 2.858 1.00 1.00 C ATOM 888 OD1 ASP A 59 30.181 27.376 3.178 1.00 1.00 O ATOM 889 OD2 ASP A 59 32.248 27.802 2.752 1.00 1.00 O ATOM 0 H ASP A 59 31.471 23.116 2.281 1.00 1.00 H new ATOM 0 HA ASP A 59 30.083 24.865 3.981 1.00 1.00 H new ATOM 0 HB2 ASP A 59 32.405 25.204 3.155 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.807 25.418 1.522 1.00 1.00 H new ATOM 894 N LYS A 60 29.084 24.875 0.831 1.00 1.00 N ATOM 895 CA LYS A 60 28.009 25.309 -0.051 1.00 1.00 C ATOM 896 C LYS A 60 26.685 24.688 0.357 1.00 1.00 C ATOM 897 O LYS A 60 25.624 25.091 -0.120 1.00 1.00 O ATOM 898 CB LYS A 60 28.360 24.913 -1.492 1.00 1.00 C ATOM 899 CG LYS A 60 27.391 25.557 -2.483 1.00 1.00 C ATOM 900 CD LYS A 60 27.821 25.196 -3.907 1.00 1.00 C ATOM 901 CE LYS A 60 26.862 25.838 -4.909 1.00 1.00 C ATOM 902 NZ LYS A 60 26.963 27.319 -4.806 1.00 1.00 N ATOM 0 H LYS A 60 29.786 24.285 0.384 1.00 1.00 H new ATOM 0 HA LYS A 60 27.903 26.391 0.021 1.00 1.00 H new ATOM 0 HB2 LYS A 60 29.380 25.222 -1.721 1.00 1.00 H new ATOM 0 HB3 LYS A 60 28.325 23.828 -1.595 1.00 1.00 H new ATOM 0 HG2 LYS A 60 26.375 25.208 -2.297 1.00 1.00 H new ATOM 0 HG3 LYS A 60 27.385 26.639 -2.354 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.839 25.541 -4.089 1.00 1.00 H new ATOM 0 HD3 LYS A 60 27.824 24.113 -4.034 1.00 1.00 H new ATOM 0 HE2 LYS A 60 27.105 25.515 -5.921 1.00 1.00 H new ATOM 0 HE3 LYS A 60 25.840 25.517 -4.709 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 26.533 27.756 -5.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 26.463 27.643 -3.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 27.964 27.595 -4.746 1.00 1.00 H new ATOM 916 N PHE A 61 26.741 23.721 1.248 1.00 1.00 N ATOM 917 CA PHE A 61 25.524 23.086 1.710 1.00 1.00 C ATOM 918 C PHE A 61 24.688 24.112 2.461 1.00 1.00 C ATOM 919 O PHE A 61 23.473 23.968 2.591 1.00 1.00 O ATOM 920 CB PHE A 61 25.857 21.916 2.637 1.00 1.00 C ATOM 921 CG PHE A 61 24.613 21.100 2.892 1.00 1.00 C ATOM 922 CD1 PHE A 61 24.142 20.223 1.909 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.934 21.216 4.111 1.00 1.00 C ATOM 924 CE1 PHE A 61 22.991 19.461 2.144 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.784 20.454 4.347 1.00 1.00 C ATOM 926 CZ PHE A 61 22.313 19.576 3.364 1.00 1.00 C ATOM 0 H PHE A 61 27.601 23.361 1.662 1.00 1.00 H new ATOM 0 HA PHE A 61 24.967 22.705 0.854 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.628 21.291 2.187 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.259 22.289 3.579 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.666 20.134 0.969 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.298 21.894 4.869 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.626 18.785 1.385 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.260 20.543 5.287 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.426 18.987 3.546 1.00 1.00 H new ATOM 936 N SER A 62 25.351 25.164 2.938 1.00 1.00 N ATOM 937 CA SER A 62 24.650 26.225 3.656 1.00 1.00 C ATOM 938 C SER A 62 23.781 27.051 2.709 1.00 1.00 C ATOM 939 O SER A 62 22.579 27.206 2.924 1.00 1.00 O ATOM 940 CB SER A 62 25.641 27.136 4.378 1.00 1.00 C ATOM 941 OG SER A 62 26.298 26.395 5.399 1.00 1.00 O ATOM 0 H SER A 62 26.357 25.303 2.842 1.00 1.00 H new ATOM 0 HA SER A 62 24.003 25.751 4.394 1.00 1.00 H new ATOM 0 HB2 SER A 62 26.371 27.531 3.672 1.00 1.00 H new ATOM 0 HB3 SER A 62 25.120 27.990 4.810 1.00 1.00 H new ATOM 0 HG SER A 62 26.937 26.975 5.864 1.00 1.00 H new ATOM 947 N GLU A 63 24.411 27.593 1.668 1.00 1.00 N ATOM 948 CA GLU A 63 23.703 28.424 0.695 1.00 1.00 C ATOM 949 C GLU A 63 22.819 27.587 -0.217 1.00 1.00 C ATOM 950 O GLU A 63 21.790 28.058 -0.702 1.00 1.00 O ATOM 951 CB GLU A 63 24.704 29.220 -0.141 1.00 1.00 C ATOM 952 CG GLU A 63 25.515 28.269 -1.022 1.00 1.00 C ATOM 953 CD GLU A 63 26.630 29.042 -1.716 1.00 1.00 C ATOM 954 OE1 GLU A 63 27.279 29.833 -1.051 1.00 1.00 O ATOM 955 OE2 GLU A 63 26.819 28.834 -2.903 1.00 1.00 O ATOM 0 H GLU A 63 25.406 27.473 1.477 1.00 1.00 H new ATOM 0 HA GLU A 63 23.062 29.110 1.248 1.00 1.00 H new ATOM 0 HB2 GLU A 63 24.178 29.946 -0.761 1.00 1.00 H new ATOM 0 HB3 GLU A 63 25.371 29.783 0.512 1.00 1.00 H new ATOM 0 HG2 GLU A 63 25.937 27.467 -0.417 1.00 1.00 H new ATOM 0 HG3 GLU A 63 24.867 27.802 -1.763 1.00 1.00 H new ATOM 962 N PHE A 64 23.239 26.357 -0.483 1.00 1.00 N ATOM 963 CA PHE A 64 22.493 25.486 -1.379 1.00 1.00 C ATOM 964 C PHE A 64 21.072 25.278 -0.875 1.00 1.00 C ATOM 965 O PHE A 64 20.271 24.602 -1.521 1.00 1.00 O ATOM 966 CB PHE A 64 23.211 24.138 -1.481 1.00 1.00 C ATOM 967 CG PHE A 64 22.418 23.197 -2.359 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.285 23.468 -3.726 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.819 22.056 -1.809 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.554 22.597 -4.544 1.00 1.00 C ATOM 971 CE2 PHE A 64 21.089 21.186 -2.626 1.00 1.00 C ATOM 972 CZ PHE A 64 20.956 21.456 -3.994 1.00 1.00 C ATOM 0 H PHE A 64 24.086 25.943 -0.094 1.00 1.00 H new ATOM 0 HA PHE A 64 22.439 25.954 -2.362 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.210 24.279 -1.893 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.334 23.706 -0.488 1.00 1.00 H new ATOM 0 HD1 PHE A 64 22.746 24.348 -4.150 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.921 21.848 -0.754 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.451 22.805 -5.599 1.00 1.00 H new ATOM 0 HE2 PHE A 64 20.628 20.306 -2.202 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.392 20.784 -4.625 1.00 1.00 H new ATOM 982 N TRP A 65 20.757 25.873 0.269 1.00 1.00 N ATOM 983 CA TRP A 65 19.416 25.750 0.824 1.00 1.00 C ATOM 984 C TRP A 65 18.451 26.688 0.091 1.00 1.00 C ATOM 985 O TRP A 65 17.402 26.261 -0.395 1.00 1.00 O ATOM 986 CB TRP A 65 19.462 26.107 2.310 1.00 1.00 C ATOM 987 CG TRP A 65 18.113 25.918 2.910 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.305 26.916 3.331 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.401 24.677 3.159 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.138 26.364 3.824 1.00 1.00 N ATOM 991 CE2 TRP A 65 16.149 24.985 3.740 1.00 1.00 C ATOM 992 CE3 TRP A 65 17.717 23.325 2.940 1.00 1.00 C ATOM 993 CZ2 TRP A 65 15.242 23.986 4.091 1.00 1.00 C ATOM 994 CZ3 TRP A 65 16.807 22.316 3.293 1.00 1.00 C ATOM 995 CH2 TRP A 65 15.571 22.646 3.866 1.00 1.00 C ATOM 0 H TRP A 65 21.401 26.437 0.823 1.00 1.00 H new ATOM 0 HA TRP A 65 19.063 24.726 0.700 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.191 25.479 2.823 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.786 27.140 2.437 1.00 1.00 H new ATOM 0 HD1 TRP A 65 17.534 27.971 3.289 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.363 26.908 4.204 1.00 1.00 H new ATOM 0 HE3 TRP A 65 18.666 23.061 2.497 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.292 24.246 4.534 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 17.061 21.280 3.122 1.00 1.00 H new ATOM 0 HH2 TRP A 65 14.874 21.866 4.133 1.00 1.00 H new ATOM 1006 N ASP A 66 18.830 27.962 -0.007 1.00 1.00 N ATOM 1007 CA ASP A 66 18.021 28.966 -0.706 1.00 1.00 C ATOM 1008 C ASP A 66 18.308 28.921 -2.199 1.00 1.00 C ATOM 1009 O ASP A 66 19.372 28.476 -2.627 1.00 1.00 O ATOM 1010 CB ASP A 66 18.325 30.359 -0.152 1.00 1.00 C ATOM 1011 CG ASP A 66 17.777 30.482 1.266 1.00 1.00 C ATOM 1012 OD1 ASP A 66 16.976 29.643 1.646 1.00 1.00 O ATOM 1013 OD2 ASP A 66 18.165 31.413 1.953 1.00 1.00 O ATOM 0 H ASP A 66 19.696 28.327 0.390 1.00 1.00 H new ATOM 0 HA ASP A 66 16.966 28.745 -0.546 1.00 1.00 H new ATOM 0 HB2 ASP A 66 19.401 30.534 -0.152 1.00 1.00 H new ATOM 0 HB3 ASP A 66 17.878 31.120 -0.792 1.00 1.00 H new ATOM 1018 N LEU A 67 17.342 29.377 -2.984 1.00 1.00 N ATOM 1019 CA LEU A 67 17.460 29.390 -4.439 1.00 1.00 C ATOM 1020 C LEU A 67 17.125 30.779 -4.974 1.00 1.00 C ATOM 1021 O LEU A 67 16.962 31.730 -4.208 1.00 1.00 O ATOM 1022 CB LEU A 67 16.542 28.319 -5.063 1.00 1.00 C ATOM 1023 CG LEU A 67 17.214 27.702 -6.314 1.00 1.00 C ATOM 1024 CD1 LEU A 67 18.171 26.579 -5.896 1.00 1.00 C ATOM 1025 CD2 LEU A 67 16.150 27.127 -7.253 1.00 1.00 C ATOM 0 H LEU A 67 16.458 29.747 -2.635 1.00 1.00 H new ATOM 0 HA LEU A 67 18.487 29.152 -4.716 1.00 1.00 H new ATOM 0 HB2 LEU A 67 16.332 27.538 -4.332 1.00 1.00 H new ATOM 0 HB3 LEU A 67 15.586 28.764 -5.337 1.00 1.00 H new ATOM 0 HG LEU A 67 17.771 28.484 -6.829 1.00 1.00 H new ATOM 0 HD11 LEU A 67 18.639 26.151 -6.783 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.941 26.983 -5.238 1.00 1.00 H new ATOM 0 HD13 LEU A 67 17.614 25.804 -5.369 1.00 1.00 H new ATOM 0 HD21 LEU A 67 16.633 26.696 -8.130 1.00 1.00 H new ATOM 0 HD22 LEU A 67 15.585 26.354 -6.733 1.00 1.00 H new ATOM 0 HD23 LEU A 67 15.473 27.922 -7.566 1.00 1.00 H new ATOM 1037 N ASP A 68 17.053 30.892 -6.290 1.00 1.00 N ATOM 1038 CA ASP A 68 16.766 32.168 -6.932 1.00 1.00 C ATOM 1039 C ASP A 68 15.427 32.706 -6.415 1.00 1.00 C ATOM 1040 O ASP A 68 14.676 31.983 -5.760 1.00 1.00 O ATOM 1041 CB ASP A 68 16.714 31.952 -8.475 1.00 1.00 C ATOM 1042 CG ASP A 68 16.751 30.461 -8.817 1.00 1.00 C ATOM 1043 OD1 ASP A 68 17.816 29.875 -8.718 1.00 1.00 O ATOM 1044 OD2 ASP A 68 15.710 29.931 -9.171 1.00 1.00 O ATOM 0 H ASP A 68 17.189 30.115 -6.937 1.00 1.00 H new ATOM 0 HA ASP A 68 17.544 32.895 -6.700 1.00 1.00 H new ATOM 0 HB2 ASP A 68 15.806 32.400 -8.879 1.00 1.00 H new ATOM 0 HB3 ASP A 68 17.556 32.459 -8.946 1.00 1.00 H new ATOM 1049 N PRO A 69 15.119 33.954 -6.676 1.00 1.00 N ATOM 1050 CA PRO A 69 13.852 34.568 -6.192 1.00 1.00 C ATOM 1051 C PRO A 69 12.657 33.644 -6.425 1.00 1.00 C ATOM 1052 O PRO A 69 11.586 33.855 -5.858 1.00 1.00 O ATOM 1053 CB PRO A 69 13.722 35.877 -7.019 1.00 1.00 C ATOM 1054 CG PRO A 69 14.914 35.922 -7.947 1.00 1.00 C ATOM 1055 CD PRO A 69 15.940 34.927 -7.408 1.00 1.00 C ATOM 0 HA PRO A 69 13.867 34.754 -5.118 1.00 1.00 H new ATOM 0 HB2 PRO A 69 12.790 35.887 -7.584 1.00 1.00 H new ATOM 0 HB3 PRO A 69 13.707 36.749 -6.365 1.00 1.00 H new ATOM 0 HG2 PRO A 69 14.621 35.660 -8.964 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.335 36.927 -7.985 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.502 34.454 -8.213 1.00 1.00 H new ATOM 0 HD3 PRO A 69 16.666 35.412 -6.755 1.00 1.00 H new ATOM 1063 N GLU A 70 12.851 32.604 -7.236 1.00 1.00 N ATOM 1064 CA GLU A 70 11.777 31.640 -7.500 1.00 1.00 C ATOM 1065 C GLU A 70 12.279 30.223 -7.237 1.00 1.00 C ATOM 1066 O GLU A 70 13.066 29.676 -8.008 1.00 1.00 O ATOM 1067 CB GLU A 70 11.313 31.766 -8.961 1.00 1.00 C ATOM 1068 CG GLU A 70 10.055 30.921 -9.190 1.00 1.00 C ATOM 1069 CD GLU A 70 8.864 31.542 -8.465 1.00 1.00 C ATOM 1070 OE1 GLU A 70 9.013 32.641 -7.957 1.00 1.00 O ATOM 1071 OE2 GLU A 70 7.821 30.911 -8.428 1.00 1.00 O ATOM 0 H GLU A 70 13.729 32.407 -7.717 1.00 1.00 H new ATOM 0 HA GLU A 70 10.936 31.850 -6.838 1.00 1.00 H new ATOM 0 HB2 GLU A 70 11.107 32.810 -9.196 1.00 1.00 H new ATOM 0 HB3 GLU A 70 12.107 31.439 -9.632 1.00 1.00 H new ATOM 0 HG2 GLU A 70 9.844 30.851 -10.257 1.00 1.00 H new ATOM 0 HG3 GLU A 70 10.220 29.905 -8.830 1.00 1.00 H new ATOM 1078 N VAL A 71 11.779 29.614 -6.155 1.00 1.00 N ATOM 1079 CA VAL A 71 12.152 28.246 -5.822 1.00 1.00 C ATOM 1080 C VAL A 71 11.070 27.297 -6.335 1.00 1.00 C ATOM 1081 O VAL A 71 10.109 26.999 -5.629 1.00 1.00 O ATOM 1082 CB VAL A 71 12.265 28.109 -4.296 1.00 1.00 C ATOM 1083 CG1 VAL A 71 10.923 28.498 -3.619 1.00 1.00 C ATOM 1084 CG2 VAL A 71 12.626 26.660 -3.952 1.00 1.00 C ATOM 0 H VAL A 71 11.122 30.046 -5.505 1.00 1.00 H new ATOM 0 HA VAL A 71 13.109 28.000 -6.283 1.00 1.00 H new ATOM 0 HB VAL A 71 13.042 28.779 -3.928 1.00 1.00 H new ATOM 0 HG11 VAL A 71 11.018 28.396 -2.538 1.00 1.00 H new ATOM 0 HG12 VAL A 71 10.677 29.531 -3.866 1.00 1.00 H new ATOM 0 HG13 VAL A 71 10.131 27.841 -3.977 1.00 1.00 H new ATOM 0 HG21 VAL A 71 12.709 26.553 -2.870 1.00 1.00 H new ATOM 0 HG22 VAL A 71 11.849 25.993 -4.325 1.00 1.00 H new ATOM 0 HG23 VAL A 71 13.578 26.402 -4.416 1.00 1.00 H new ATOM 1094 N ARG A 72 11.236 26.818 -7.574 1.00 1.00 N ATOM 1095 CA ARG A 72 10.266 25.890 -8.174 1.00 1.00 C ATOM 1096 C ARG A 72 10.958 24.630 -8.703 1.00 1.00 C ATOM 1097 O ARG A 72 12.133 24.683 -9.066 1.00 1.00 O ATOM 1098 CB ARG A 72 9.501 26.585 -9.308 1.00 1.00 C ATOM 1099 CG ARG A 72 8.394 27.460 -8.712 1.00 1.00 C ATOM 1100 CD ARG A 72 7.626 28.145 -9.837 1.00 1.00 C ATOM 1101 NE ARG A 72 8.557 28.798 -10.748 1.00 1.00 N ATOM 1102 CZ ARG A 72 8.135 29.342 -11.881 1.00 1.00 C ATOM 1103 NH1 ARG A 72 6.861 29.354 -12.162 1.00 1.00 N ATOM 1104 NH2 ARG A 72 8.993 29.863 -12.712 1.00 1.00 N ATOM 0 H ARG A 72 12.024 27.054 -8.177 1.00 1.00 H new ATOM 0 HA ARG A 72 9.562 25.590 -7.398 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.182 27.195 -9.901 1.00 1.00 H new ATOM 0 HB3 ARG A 72 9.071 25.842 -9.980 1.00 1.00 H new ATOM 0 HG2 ARG A 72 7.717 26.851 -8.114 1.00 1.00 H new ATOM 0 HG3 ARG A 72 8.825 28.206 -8.045 1.00 1.00 H new ATOM 0 HD2 ARG A 72 7.027 27.413 -10.379 1.00 1.00 H new ATOM 0 HD3 ARG A 72 6.934 28.879 -9.423 1.00 1.00 H new ATOM 0 HE ARG A 72 9.548 28.837 -10.511 1.00 1.00 H new ATOM 0 HH11 ARG A 72 6.191 28.945 -11.510 1.00 1.00 H new ATOM 0 HH12 ARG A 72 6.535 29.772 -13.033 1.00 1.00 H new ATOM 0 HH21 ARG A 72 9.989 29.852 -12.491 1.00 1.00 H new ATOM 0 HH22 ARG A 72 8.669 30.282 -13.584 1.00 1.00 H new ATOM 1118 N PRO A 73 10.270 23.508 -8.796 1.00 1.00 N ATOM 1119 CA PRO A 73 10.887 22.275 -9.344 1.00 1.00 C ATOM 1120 C PRO A 73 11.041 22.367 -10.865 1.00 1.00 C ATOM 1121 O PRO A 73 11.785 21.595 -11.467 1.00 1.00 O ATOM 1122 CB PRO A 73 9.928 21.127 -8.947 1.00 1.00 C ATOM 1123 CG PRO A 73 8.786 21.757 -8.191 1.00 1.00 C ATOM 1124 CD PRO A 73 8.862 23.274 -8.412 1.00 1.00 C ATOM 0 HA PRO A 73 11.891 22.115 -8.950 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.564 20.603 -9.831 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.441 20.390 -8.329 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.832 21.366 -8.544 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.854 21.521 -7.129 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.176 23.599 -9.194 1.00 1.00 H new ATOM 0 HD3 PRO A 73 8.598 23.823 -7.508 1.00 1.00 H new ATOM 1132 N THR A 74 10.314 23.303 -11.481 1.00 1.00 N ATOM 1133 CA THR A 74 10.363 23.462 -12.935 1.00 1.00 C ATOM 1134 C THR A 74 11.592 24.240 -13.374 1.00 1.00 C ATOM 1135 O THR A 74 12.450 23.722 -14.086 1.00 1.00 O ATOM 1136 CB THR A 74 9.094 24.165 -13.430 1.00 1.00 C ATOM 1137 OG1 THR A 74 7.959 23.571 -12.816 1.00 1.00 O ATOM 1138 CG2 THR A 74 8.984 24.024 -14.951 1.00 1.00 C ATOM 0 H THR A 74 9.692 23.954 -11.002 1.00 1.00 H new ATOM 0 HA THR A 74 10.424 22.467 -13.376 1.00 1.00 H new ATOM 0 HB THR A 74 9.141 25.223 -13.170 1.00 1.00 H new ATOM 0 HG1 THR A 74 7.146 24.019 -13.129 1.00 1.00 H new ATOM 0 HG21 THR A 74 8.081 24.525 -15.298 1.00 1.00 H new ATOM 0 HG22 THR A 74 9.855 24.479 -15.423 1.00 1.00 H new ATOM 0 HG23 THR A 74 8.938 22.968 -15.216 1.00 1.00 H new ATOM 1146 N SER A 75 11.653 25.496 -12.981 1.00 1.00 N ATOM 1147 CA SER A 75 12.763 26.346 -13.371 1.00 1.00 C ATOM 1148 C SER A 75 14.083 25.756 -12.885 1.00 1.00 C ATOM 1149 O SER A 75 15.090 25.805 -13.592 1.00 1.00 O ATOM 1150 CB SER A 75 12.567 27.743 -12.779 1.00 1.00 C ATOM 1151 OG SER A 75 13.642 28.579 -13.179 1.00 1.00 O ATOM 0 H SER A 75 10.952 25.950 -12.395 1.00 1.00 H new ATOM 0 HA SER A 75 12.794 26.412 -14.459 1.00 1.00 H new ATOM 0 HB2 SER A 75 11.620 28.163 -13.116 1.00 1.00 H new ATOM 0 HB3 SER A 75 12.521 27.686 -11.691 1.00 1.00 H new ATOM 0 HG SER A 75 13.517 29.475 -12.802 1.00 1.00 H new ATOM 1157 N ALA A 76 14.076 25.205 -11.678 1.00 1.00 N ATOM 1158 CA ALA A 76 15.286 24.616 -11.112 1.00 1.00 C ATOM 1159 C ALA A 76 15.893 23.573 -12.048 1.00 1.00 C ATOM 1160 O ALA A 76 16.997 23.757 -12.560 1.00 1.00 O ATOM 1161 CB ALA A 76 14.961 23.967 -9.766 1.00 1.00 C ATOM 0 H ALA A 76 13.255 25.153 -11.075 1.00 1.00 H new ATOM 0 HA ALA A 76 16.016 25.414 -10.976 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.866 23.528 -9.346 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.573 24.722 -9.082 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.212 23.188 -9.909 1.00 1.00 H new ATOM 1167 N VAL A 77 15.182 22.466 -12.245 1.00 1.00 N ATOM 1168 CA VAL A 77 15.697 21.399 -13.096 1.00 1.00 C ATOM 1169 C VAL A 77 15.926 21.919 -14.509 1.00 1.00 C ATOM 1170 O VAL A 77 16.995 21.715 -15.085 1.00 1.00 O ATOM 1171 CB VAL A 77 14.721 20.217 -13.128 1.00 1.00 C ATOM 1172 CG1 VAL A 77 14.479 19.715 -11.702 1.00 1.00 C ATOM 1173 CG2 VAL A 77 13.391 20.656 -13.751 1.00 1.00 C ATOM 0 H VAL A 77 14.265 22.286 -11.836 1.00 1.00 H new ATOM 0 HA VAL A 77 16.646 21.058 -12.683 1.00 1.00 H new ATOM 0 HB VAL A 77 15.149 19.414 -13.729 1.00 1.00 H new ATOM 0 HG11 VAL A 77 13.785 18.875 -11.725 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.424 19.393 -11.264 1.00 1.00 H new ATOM 0 HG13 VAL A 77 14.055 20.519 -11.100 1.00 1.00 H new ATOM 0 HG21 VAL A 77 12.702 19.811 -13.771 1.00 1.00 H new ATOM 0 HG22 VAL A 77 12.960 21.462 -13.158 1.00 1.00 H new ATOM 0 HG23 VAL A 77 13.564 21.007 -14.768 1.00 1.00 H new ATOM 1183 N ALA A 78 14.934 22.609 -15.058 1.00 1.00 N ATOM 1184 CA ALA A 78 15.058 23.171 -16.397 1.00 1.00 C ATOM 1185 C ALA A 78 16.082 24.305 -16.404 1.00 1.00 C ATOM 1186 O ALA A 78 16.463 24.809 -17.460 1.00 1.00 O ATOM 1187 CB ALA A 78 13.702 23.698 -16.867 1.00 1.00 C ATOM 0 H ALA A 78 14.041 22.792 -14.601 1.00 1.00 H new ATOM 0 HA ALA A 78 15.395 22.387 -17.075 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.802 24.117 -17.868 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.981 22.881 -16.885 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.356 24.473 -16.183 1.00 1.00 H new ATOM 1193 N ALA A 79 16.518 24.700 -15.212 1.00 1.00 N ATOM 1194 CA ALA A 79 17.492 25.779 -15.081 1.00 1.00 C ATOM 1195 C ALA A 79 17.858 26.002 -13.617 1.00 1.00 C ATOM 1196 O ALA A 79 18.719 25.290 -13.126 1.00 1.00 O ATOM 1197 CB ALA A 79 16.916 27.069 -15.673 1.00 1.00 C ATOM 1198 OXT ALA A 79 17.274 26.885 -13.009 1.00 1.00 O ATOM 0 H ALA A 79 16.215 24.292 -14.328 1.00 1.00 H new ATOM 0 HA ALA A 79 18.395 25.499 -15.624 1.00 1.00 H new ATOM 0 HB1 ALA A 79 17.646 27.873 -15.574 1.00 1.00 H new ATOM 0 HB2 ALA A 79 16.687 26.915 -16.728 1.00 1.00 H new ATOM 0 HB3 ALA A 79 16.004 27.339 -15.140 1.00 1.00 H new