USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 41 GLN : amide:sc= -0.511 K(o=-0.51,f=-3.4!) USER MOD Set 1.2: A 69 ASN : amide:sc= 0 K(o=-0.51,f=-2.4) USER MOD Set 2.1: A 24 ASN : amide:sc=-0.00192 X(o=-0.079,f=-0.51) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -121:sc= -0.0768 (180deg=-2.66!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 15 CYS SG : rot 6:sc= 0.297 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.94) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.665 USER MOD Single : A 30 SER OG : rot -105:sc= 1.13 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.059) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0832 K(o=-0.083,f=-1.6!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 22:sc= -0.363 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.831 14.767 11.439 1.00 0.00 N ATOM 67 CA LEU A 8 5.736 14.608 12.573 1.00 0.00 C ATOM 68 C LEU A 8 5.510 13.268 13.266 1.00 0.00 C ATOM 69 O LEU A 8 4.417 12.706 13.210 1.00 0.00 O ATOM 70 CB LEU A 8 5.540 15.751 13.571 1.00 0.00 C ATOM 71 CG LEU A 8 5.854 17.155 13.053 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.074 18.200 13.836 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.349 17.432 13.135 1.00 0.00 C ATOM 0 HA LEU A 8 6.759 14.634 12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.505 15.735 13.913 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.167 15.558 14.442 1.00 0.00 H new ATOM 0 HG LEU A 8 5.550 17.212 12.008 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.310 19.193 13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.006 18.014 13.727 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.346 18.143 14.890 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.554 18.436 12.762 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.677 17.356 14.172 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.888 16.703 12.530 1.00 0.00 H new ATOM 85 N ARG A 9 6.551 12.764 13.920 1.00 0.00 N ATOM 86 CA ARG A 9 6.467 11.491 14.625 1.00 0.00 C ATOM 87 C ARG A 9 7.122 11.586 16.000 1.00 0.00 C ATOM 88 O ARG A 9 8.021 12.399 16.215 1.00 0.00 O ATOM 89 CB ARG A 9 7.133 10.384 13.806 1.00 0.00 C ATOM 90 CG ARG A 9 6.587 10.260 12.392 1.00 0.00 C ATOM 91 CD ARG A 9 5.150 9.764 12.392 1.00 0.00 C ATOM 92 NE ARG A 9 4.396 10.270 11.249 1.00 0.00 N ATOM 93 CZ ARG A 9 3.070 10.264 11.182 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.354 9.781 12.188 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.456 10.742 10.107 1.00 0.00 N ATOM 0 H ARG A 9 7.463 13.218 13.976 1.00 0.00 H new ATOM 0 HA ARG A 9 5.413 11.249 14.760 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.205 10.575 13.757 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.002 9.433 14.322 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.639 11.228 11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.210 9.573 11.819 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.143 8.674 12.377 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.660 10.073 13.315 1.00 0.00 H new ATOM 0 HE ARG A 9 4.917 10.649 10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.822 9.413 13.016 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.335 9.778 12.134 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.003 11.115 9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.437 10.737 10.057 1.00 0.00 H new ATOM 109 N ARG A 10 6.666 10.749 16.926 1.00 0.00 N ATOM 110 CA ARG A 10 7.206 10.740 18.280 1.00 0.00 C ATOM 111 C ARG A 10 7.635 9.333 18.685 1.00 0.00 C ATOM 112 O ARG A 10 6.901 8.367 18.481 1.00 0.00 O ATOM 113 CB ARG A 10 6.169 11.274 19.270 1.00 0.00 C ATOM 114 CG ARG A 10 6.210 12.783 19.441 1.00 0.00 C ATOM 115 CD ARG A 10 5.231 13.250 20.508 1.00 0.00 C ATOM 116 NE ARG A 10 3.866 12.818 20.223 1.00 0.00 N ATOM 117 CZ ARG A 10 3.111 13.348 19.268 1.00 0.00 C ATOM 118 NH1 ARG A 10 3.586 14.326 18.509 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.877 12.901 19.070 1.00 0.00 N ATOM 0 H ARG A 10 5.924 10.068 16.763 1.00 0.00 H new ATOM 0 HA ARG A 10 8.082 11.388 18.299 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.174 10.982 18.934 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.329 10.803 20.240 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.220 13.092 19.712 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.973 13.264 18.492 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.539 12.861 21.478 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.261 14.337 20.576 1.00 0.00 H new ATOM 0 HE ARG A 10 3.470 12.067 20.789 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.534 14.673 18.658 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.004 14.731 17.776 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.507 12.149 19.652 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.298 13.309 18.336 1.00 0.00 H new ATOM 133 N ALA A 11 8.829 9.226 19.259 1.00 0.00 N ATOM 134 CA ALA A 11 9.355 7.938 19.693 1.00 0.00 C ATOM 135 C ALA A 11 10.310 8.104 20.871 1.00 0.00 C ATOM 136 O ALA A 11 10.990 9.123 20.994 1.00 0.00 O ATOM 137 CB ALA A 11 10.055 7.237 18.538 1.00 0.00 C ATOM 0 H ALA A 11 9.450 10.016 19.434 1.00 0.00 H new ATOM 0 HA ALA A 11 8.517 7.323 20.022 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.443 6.276 18.877 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.345 7.076 17.726 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.879 7.856 18.182 1.00 0.00 H new ATOM 143 N THR A 12 10.356 7.095 21.736 1.00 0.00 N ATOM 144 CA THR A 12 11.226 7.130 22.905 1.00 0.00 C ATOM 145 C THR A 12 12.601 6.555 22.584 1.00 0.00 C ATOM 146 O THR A 12 12.714 5.531 21.910 1.00 0.00 O ATOM 147 CB THR A 12 10.616 6.347 24.083 1.00 0.00 C ATOM 148 OG1 THR A 12 9.899 5.208 23.595 1.00 0.00 O ATOM 149 CG2 THR A 12 9.681 7.232 24.894 1.00 0.00 C ATOM 0 H THR A 12 9.801 6.244 21.649 1.00 0.00 H new ATOM 0 HA THR A 12 11.331 8.177 23.190 1.00 0.00 H new ATOM 0 HB THR A 12 11.428 6.015 24.730 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.516 4.715 24.350 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.262 6.658 25.720 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.236 8.083 25.288 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.874 7.590 24.255 1.00 0.00 H new ATOM 157 N VAL A 13 13.644 7.219 23.072 1.00 0.00 N ATOM 158 CA VAL A 13 15.012 6.772 22.839 1.00 0.00 C ATOM 159 C VAL A 13 15.347 5.558 23.699 1.00 0.00 C ATOM 160 O VAL A 13 14.850 5.421 24.816 1.00 0.00 O ATOM 161 CB VAL A 13 16.026 7.892 23.134 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.430 7.461 22.737 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.630 9.173 22.415 1.00 0.00 C ATOM 0 H VAL A 13 13.568 8.069 23.631 1.00 0.00 H new ATOM 0 HA VAL A 13 15.081 6.498 21.786 1.00 0.00 H new ATOM 0 HB VAL A 13 16.022 8.088 24.206 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.132 8.266 22.953 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.711 6.572 23.302 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.454 7.235 21.671 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.358 9.954 22.635 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.604 8.994 21.340 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.644 9.491 22.754 1.00 0.00 H new ATOM 173 N GLU A 14 16.194 4.681 23.169 1.00 0.00 N ATOM 174 CA GLU A 14 16.595 3.478 23.889 1.00 0.00 C ATOM 175 C GLU A 14 17.709 3.786 24.885 1.00 0.00 C ATOM 176 O GLU A 14 17.521 3.673 26.097 1.00 0.00 O ATOM 177 CB GLU A 14 17.059 2.400 22.907 1.00 0.00 C ATOM 178 CG GLU A 14 17.655 1.176 23.582 1.00 0.00 C ATOM 179 CD GLU A 14 17.603 -0.059 22.704 1.00 0.00 C ATOM 180 OE1 GLU A 14 17.797 0.076 21.478 1.00 0.00 O ATOM 181 OE2 GLU A 14 17.368 -1.160 23.244 1.00 0.00 O ATOM 0 H GLU A 14 16.615 4.781 22.245 1.00 0.00 H new ATOM 0 HA GLU A 14 15.729 3.110 24.440 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.212 2.090 22.294 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.800 2.830 22.233 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.691 1.383 23.851 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.118 0.980 24.510 1.00 0.00 H new ATOM 188 N CYS A 15 18.868 4.175 24.366 1.00 0.00 N ATOM 189 CA CYS A 15 20.014 4.498 25.209 1.00 0.00 C ATOM 190 C CYS A 15 20.839 5.625 24.596 1.00 0.00 C ATOM 191 O CYS A 15 21.099 5.634 23.392 1.00 0.00 O ATOM 192 CB CYS A 15 20.889 3.261 25.412 1.00 0.00 C ATOM 193 SG CYS A 15 20.112 1.961 26.401 1.00 0.00 S ATOM 0 H CYS A 15 19.039 4.274 23.365 1.00 0.00 H new ATOM 0 HA CYS A 15 19.640 4.831 26.177 1.00 0.00 H new ATOM 0 HB2 CYS A 15 21.153 2.852 24.437 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.819 3.562 25.894 1.00 0.00 H new ATOM 0 HG CYS A 15 18.879 2.286 26.653 1.00 0.00 H new ATOM 199 N VAL A 16 21.247 6.575 25.431 1.00 0.00 N ATOM 200 CA VAL A 16 22.043 7.707 24.972 1.00 0.00 C ATOM 201 C VAL A 16 23.271 7.909 25.852 1.00 0.00 C ATOM 202 O VAL A 16 23.235 8.665 26.823 1.00 0.00 O ATOM 203 CB VAL A 16 21.215 9.006 24.959 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.067 10.177 24.495 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.988 8.846 24.074 1.00 0.00 C ATOM 0 H VAL A 16 21.039 6.583 26.430 1.00 0.00 H new ATOM 0 HA VAL A 16 22.363 7.478 23.955 1.00 0.00 H new ATOM 0 HB VAL A 16 20.878 9.212 25.975 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.465 11.086 24.492 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.912 10.303 25.172 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.435 9.982 23.488 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.414 9.773 24.076 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.301 8.616 23.056 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.368 8.035 24.455 1.00 0.00 H new ATOM 215 N LYS A 17 24.359 7.228 25.506 1.00 0.00 N ATOM 216 CA LYS A 17 25.600 7.333 26.262 1.00 0.00 C ATOM 217 C LYS A 17 26.683 8.023 25.438 1.00 0.00 C ATOM 218 O LYS A 17 27.335 8.955 25.909 1.00 0.00 O ATOM 219 CB LYS A 17 26.079 5.944 26.692 1.00 0.00 C ATOM 220 CG LYS A 17 25.050 5.169 27.497 1.00 0.00 C ATOM 221 CD LYS A 17 24.939 5.699 28.917 1.00 0.00 C ATOM 222 CE LYS A 17 23.723 5.129 29.631 1.00 0.00 C ATOM 223 NZ LYS A 17 23.578 5.682 31.007 1.00 0.00 N ATOM 0 H LYS A 17 24.405 6.597 24.706 1.00 0.00 H new ATOM 0 HA LYS A 17 25.405 7.935 27.150 1.00 0.00 H new ATOM 0 HB2 LYS A 17 26.342 5.369 25.804 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.988 6.049 27.285 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.079 5.234 27.006 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.325 4.115 27.522 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.841 5.444 29.473 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.873 6.787 28.896 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.826 5.351 29.054 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.808 4.044 29.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.738 5.269 31.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 24.423 5.448 31.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.471 6.715 30.956 1.00 0.00 H new ATOM 237 N ASP A 18 26.868 7.559 24.207 1.00 0.00 N ATOM 238 CA ASP A 18 27.870 8.133 23.317 1.00 0.00 C ATOM 239 C ASP A 18 27.277 9.274 22.495 1.00 0.00 C ATOM 240 O ASP A 18 26.070 9.510 22.525 1.00 0.00 O ATOM 241 CB ASP A 18 28.433 7.058 22.386 1.00 0.00 C ATOM 242 CG ASP A 18 29.249 6.019 23.130 1.00 0.00 C ATOM 243 OD1 ASP A 18 28.648 5.058 23.655 1.00 0.00 O ATOM 244 OD2 ASP A 18 30.488 6.166 23.187 1.00 0.00 O ATOM 0 H ASP A 18 26.337 6.787 23.803 1.00 0.00 H new ATOM 0 HA ASP A 18 28.678 8.532 23.930 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.612 6.566 21.865 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.056 7.529 21.626 1.00 0.00 H new ATOM 249 N GLN A 19 28.136 9.979 21.765 1.00 0.00 N ATOM 250 CA GLN A 19 27.696 11.097 20.938 1.00 0.00 C ATOM 251 C GLN A 19 26.550 10.678 20.022 1.00 0.00 C ATOM 252 O GLN A 19 25.697 11.492 19.668 1.00 0.00 O ATOM 253 CB GLN A 19 28.862 11.630 20.104 1.00 0.00 C ATOM 254 CG GLN A 19 29.710 12.660 20.833 1.00 0.00 C ATOM 255 CD GLN A 19 30.051 12.238 22.249 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.728 11.232 22.463 1.00 0.00 O ATOM 257 NE2 GLN A 19 29.583 13.008 23.225 1.00 0.00 N ATOM 0 H GLN A 19 29.139 9.796 21.729 1.00 0.00 H new ATOM 0 HA GLN A 19 27.339 11.887 21.598 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.496 10.795 19.806 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.470 12.076 19.190 1.00 0.00 H new ATOM 0 HG2 GLN A 19 30.632 12.826 20.276 1.00 0.00 H new ATOM 0 HG3 GLN A 19 29.177 13.611 20.859 1.00 0.00 H new ATOM 0 HE21 GLN A 19 29.026 13.833 23.001 1.00 0.00 H new ATOM 0 HE22 GLN A 19 29.781 12.775 24.198 1.00 0.00 H new ATOM 266 N PHE A 20 26.537 9.405 19.643 1.00 0.00 N ATOM 267 CA PHE A 20 25.497 8.879 18.767 1.00 0.00 C ATOM 268 C PHE A 20 24.589 7.912 19.521 1.00 0.00 C ATOM 269 O PHE A 20 25.055 7.100 20.319 1.00 0.00 O ATOM 270 CB PHE A 20 26.123 8.174 17.562 1.00 0.00 C ATOM 271 CG PHE A 20 27.187 7.181 17.935 1.00 0.00 C ATOM 272 CD1 PHE A 20 26.852 5.877 18.262 1.00 0.00 C ATOM 273 CD2 PHE A 20 28.522 7.552 17.957 1.00 0.00 C ATOM 274 CE1 PHE A 20 27.830 4.962 18.606 1.00 0.00 C ATOM 275 CE2 PHE A 20 29.503 6.642 18.300 1.00 0.00 C ATOM 276 CZ PHE A 20 29.157 5.345 18.624 1.00 0.00 C ATOM 0 H PHE A 20 27.235 8.718 19.929 1.00 0.00 H new ATOM 0 HA PHE A 20 24.895 9.717 18.416 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.340 7.662 17.003 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.553 8.922 16.896 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.816 5.572 18.248 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.799 8.565 17.703 1.00 0.00 H new ATOM 0 HE1 PHE A 20 27.557 3.949 18.860 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.540 6.945 18.315 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.922 4.631 18.891 1.00 0.00 H new ATOM 286 N GLY A 21 23.288 8.007 19.262 1.00 0.00 N ATOM 287 CA GLY A 21 22.334 7.136 19.924 1.00 0.00 C ATOM 288 C GLY A 21 21.356 6.504 18.954 1.00 0.00 C ATOM 289 O GLY A 21 21.441 6.721 17.745 1.00 0.00 O ATOM 0 H GLY A 21 22.878 8.671 18.606 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.872 6.351 20.456 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.782 7.707 20.671 1.00 0.00 H new ATOM 293 N PHE A 22 20.425 5.717 19.484 1.00 0.00 N ATOM 294 CA PHE A 22 19.427 5.049 18.657 1.00 0.00 C ATOM 295 C PHE A 22 18.028 5.236 19.235 1.00 0.00 C ATOM 296 O PHE A 22 17.811 5.058 20.434 1.00 0.00 O ATOM 297 CB PHE A 22 19.748 3.558 18.538 1.00 0.00 C ATOM 298 CG PHE A 22 20.948 3.269 17.683 1.00 0.00 C ATOM 299 CD1 PHE A 22 20.891 3.431 16.308 1.00 0.00 C ATOM 300 CD2 PHE A 22 22.134 2.835 18.254 1.00 0.00 C ATOM 301 CE1 PHE A 22 21.994 3.165 15.519 1.00 0.00 C ATOM 302 CE2 PHE A 22 23.240 2.567 17.470 1.00 0.00 C ATOM 303 CZ PHE A 22 23.171 2.734 16.100 1.00 0.00 C ATOM 0 H PHE A 22 20.341 5.526 20.483 1.00 0.00 H new ATOM 0 HA PHE A 22 19.453 5.499 17.665 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.916 3.150 19.535 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.883 3.040 18.123 1.00 0.00 H new ATOM 0 HD1 PHE A 22 19.974 3.769 15.848 1.00 0.00 H new ATOM 0 HD2 PHE A 22 22.195 2.705 19.324 1.00 0.00 H new ATOM 0 HE1 PHE A 22 21.936 3.294 14.448 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.157 2.227 17.928 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.035 2.528 15.485 1.00 0.00 H new ATOM 313 N ILE A 23 17.081 5.595 18.374 1.00 0.00 N ATOM 314 CA ILE A 23 15.703 5.805 18.798 1.00 0.00 C ATOM 315 C ILE A 23 14.825 4.616 18.424 1.00 0.00 C ATOM 316 O ILE A 23 14.983 4.026 17.356 1.00 0.00 O ATOM 317 CB ILE A 23 15.110 7.082 18.174 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.987 8.292 18.505 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.688 7.302 18.667 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.589 9.548 17.762 1.00 0.00 C ATOM 0 H ILE A 23 17.244 5.746 17.378 1.00 0.00 H new ATOM 0 HA ILE A 23 15.720 5.914 19.882 1.00 0.00 H new ATOM 0 HB ILE A 23 15.084 6.961 17.091 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.939 8.483 19.577 1.00 0.00 H new ATOM 0 HG13 ILE A 23 17.024 8.054 18.270 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.283 8.208 18.217 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.069 6.450 18.386 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.691 7.406 19.752 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.253 10.364 18.046 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.664 9.375 16.688 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.562 9.811 18.016 1.00 0.00 H new ATOM 332 N ASN A 24 13.898 4.269 19.311 1.00 0.00 N ATOM 333 CA ASN A 24 12.993 3.150 19.074 1.00 0.00 C ATOM 334 C ASN A 24 11.944 3.512 18.027 1.00 0.00 C ATOM 335 O ASN A 24 10.793 3.797 18.359 1.00 0.00 O ATOM 336 CB ASN A 24 12.308 2.736 20.377 1.00 0.00 C ATOM 337 CG ASN A 24 13.248 2.009 21.319 1.00 0.00 C ATOM 338 OD1 ASN A 24 13.998 1.125 20.905 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.211 2.379 22.594 1.00 0.00 N ATOM 0 H ASN A 24 13.754 4.747 20.201 1.00 0.00 H new ATOM 0 HA ASN A 24 13.581 2.312 18.699 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.913 3.622 20.874 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.458 2.093 20.149 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.820 1.925 23.275 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.573 3.117 22.893 1.00 0.00 H new ATOM 346 N TYR A 25 12.349 3.497 16.762 1.00 0.00 N ATOM 347 CA TYR A 25 11.445 3.825 15.666 1.00 0.00 C ATOM 348 C TYR A 25 11.925 3.202 14.359 1.00 0.00 C ATOM 349 O TYR A 25 13.063 3.409 13.941 1.00 0.00 O ATOM 350 CB TYR A 25 11.330 5.342 15.508 1.00 0.00 C ATOM 351 CG TYR A 25 10.085 5.781 14.771 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.826 5.618 15.335 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.168 6.360 13.510 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.686 6.017 14.665 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.034 6.763 12.834 1.00 0.00 C ATOM 356 CZ TYR A 25 7.795 6.590 13.415 1.00 0.00 C ATOM 357 OH TYR A 25 6.662 6.989 12.743 1.00 0.00 O ATOM 0 H TYR A 25 13.297 3.261 16.470 1.00 0.00 H new ATOM 0 HA TYR A 25 10.463 3.416 15.904 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.339 5.804 16.495 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.207 5.711 14.975 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.737 5.172 16.314 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.136 6.497 13.051 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.715 5.881 15.117 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.116 7.212 11.855 1.00 0.00 H new ATOM 0 HH TYR A 25 6.913 7.374 11.877 1.00 0.00 H new ATOM 367 N GLU A 26 11.046 2.437 13.718 1.00 0.00 N ATOM 368 CA GLU A 26 11.380 1.783 12.458 1.00 0.00 C ATOM 369 C GLU A 26 10.738 2.511 11.280 1.00 0.00 C ATOM 370 O GLU A 26 9.514 2.559 11.159 1.00 0.00 O ATOM 371 CB GLU A 26 10.924 0.323 12.479 1.00 0.00 C ATOM 372 CG GLU A 26 11.208 -0.423 11.186 1.00 0.00 C ATOM 373 CD GLU A 26 10.812 -1.885 11.257 1.00 0.00 C ATOM 374 OE1 GLU A 26 9.597 -2.172 11.250 1.00 0.00 O ATOM 375 OE2 GLU A 26 11.718 -2.742 11.318 1.00 0.00 O ATOM 0 H GLU A 26 10.099 2.255 14.050 1.00 0.00 H new ATOM 0 HA GLU A 26 12.463 1.816 12.337 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.420 -0.192 13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.853 0.289 12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.669 0.056 10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.270 -0.349 10.954 1.00 0.00 H new ATOM 382 N VAL A 27 11.573 3.076 10.415 1.00 0.00 N ATOM 383 CA VAL A 27 11.089 3.801 9.247 1.00 0.00 C ATOM 384 C VAL A 27 11.468 3.082 7.957 1.00 0.00 C ATOM 385 O VAL A 27 11.647 3.709 6.914 1.00 0.00 O ATOM 386 CB VAL A 27 11.648 5.236 9.205 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.137 6.043 10.389 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.169 5.214 9.179 1.00 0.00 C ATOM 0 H VAL A 27 12.589 3.046 10.501 1.00 0.00 H new ATOM 0 HA VAL A 27 10.003 3.844 9.330 1.00 0.00 H new ATOM 0 HB VAL A 27 11.299 5.717 8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.542 7.054 10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.048 6.087 10.357 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.454 5.567 11.317 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.547 6.236 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.541 4.715 10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.510 4.675 8.295 1.00 0.00 H new ATOM 398 N GLY A 28 11.589 1.760 8.036 1.00 0.00 N ATOM 399 CA GLY A 28 11.946 0.976 6.868 1.00 0.00 C ATOM 400 C GLY A 28 12.652 -0.315 7.231 1.00 0.00 C ATOM 401 O GLY A 28 12.008 -1.320 7.533 1.00 0.00 O ATOM 0 H GLY A 28 11.446 1.218 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.045 0.746 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.590 1.569 6.219 1.00 0.00 H new ATOM 405 N ASP A 29 13.980 -0.290 7.199 1.00 0.00 N ATOM 406 CA ASP A 29 14.775 -1.468 7.526 1.00 0.00 C ATOM 407 C ASP A 29 15.312 -1.382 8.951 1.00 0.00 C ATOM 408 O ASP A 29 15.098 -2.285 9.761 1.00 0.00 O ATOM 409 CB ASP A 29 15.934 -1.617 6.539 1.00 0.00 C ATOM 410 CG ASP A 29 15.481 -2.136 5.189 1.00 0.00 C ATOM 411 OD1 ASP A 29 14.663 -3.078 5.160 1.00 0.00 O ATOM 412 OD2 ASP A 29 15.946 -1.600 4.160 1.00 0.00 O ATOM 0 H ASP A 29 14.529 0.533 6.950 1.00 0.00 H new ATOM 0 HA ASP A 29 14.130 -2.344 7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.423 -0.651 6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.677 -2.297 6.956 1.00 0.00 H new ATOM 417 N SER A 30 16.011 -0.292 9.251 1.00 0.00 N ATOM 418 CA SER A 30 16.583 -0.091 10.577 1.00 0.00 C ATOM 419 C SER A 30 15.490 -0.059 11.641 1.00 0.00 C ATOM 420 O SER A 30 14.574 0.761 11.581 1.00 0.00 O ATOM 421 CB SER A 30 17.389 1.209 10.616 1.00 0.00 C ATOM 422 OG SER A 30 18.217 1.261 11.765 1.00 0.00 O ATOM 0 H SER A 30 16.195 0.466 8.593 1.00 0.00 H new ATOM 0 HA SER A 30 17.248 -0.928 10.790 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.002 1.288 9.718 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.710 2.062 10.614 1.00 0.00 H new ATOM 0 HG SER A 30 17.836 1.888 12.415 1.00 0.00 H new ATOM 428 N LYS A 31 15.594 -0.957 12.614 1.00 0.00 N ATOM 429 CA LYS A 31 14.616 -1.032 13.694 1.00 0.00 C ATOM 430 C LYS A 31 14.615 0.252 14.517 1.00 0.00 C ATOM 431 O LYS A 31 13.609 0.606 15.132 1.00 0.00 O ATOM 432 CB LYS A 31 14.916 -2.230 14.598 1.00 0.00 C ATOM 433 CG LYS A 31 14.622 -3.571 13.948 1.00 0.00 C ATOM 434 CD LYS A 31 14.966 -4.726 14.874 1.00 0.00 C ATOM 435 CE LYS A 31 16.465 -4.982 14.912 1.00 0.00 C ATOM 436 NZ LYS A 31 16.791 -6.267 15.591 1.00 0.00 N ATOM 0 H LYS A 31 16.346 -1.644 12.678 1.00 0.00 H new ATOM 0 HA LYS A 31 13.629 -1.158 13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.966 -2.200 14.891 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.328 -2.142 15.511 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.567 -3.622 13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.193 -3.662 13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.608 -4.507 15.880 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.450 -5.627 14.541 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.856 -4.999 13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.961 -4.161 15.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.822 -6.405 15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.440 -6.241 16.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.339 -7.053 15.082 1.00 0.00 H new ATOM 450 N LYS A 32 15.747 0.947 14.523 1.00 0.00 N ATOM 451 CA LYS A 32 15.877 2.194 15.268 1.00 0.00 C ATOM 452 C LYS A 32 16.344 3.325 14.358 1.00 0.00 C ATOM 453 O LYS A 32 16.747 3.092 13.218 1.00 0.00 O ATOM 454 CB LYS A 32 16.860 2.019 16.428 1.00 0.00 C ATOM 455 CG LYS A 32 16.295 1.218 17.588 1.00 0.00 C ATOM 456 CD LYS A 32 16.557 -0.269 17.419 1.00 0.00 C ATOM 457 CE LYS A 32 15.649 -1.100 18.313 1.00 0.00 C ATOM 458 NZ LYS A 32 14.225 -1.021 17.884 1.00 0.00 N ATOM 0 H LYS A 32 16.589 0.668 14.020 1.00 0.00 H new ATOM 0 HA LYS A 32 14.896 2.454 15.667 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.759 1.525 16.060 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.162 3.002 16.789 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.741 1.563 18.521 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.222 1.393 17.664 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.401 -0.551 16.378 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.599 -0.485 17.655 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.976 -2.140 18.297 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.738 -0.754 19.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.648 -0.646 18.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.145 -0.391 17.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.886 -1.970 17.628 1.00 0.00 H new ATOM 472 N LEU A 33 16.288 4.550 14.869 1.00 0.00 N ATOM 473 CA LEU A 33 16.707 5.719 14.102 1.00 0.00 C ATOM 474 C LEU A 33 18.111 6.158 14.503 1.00 0.00 C ATOM 475 O LEU A 33 18.626 5.752 15.545 1.00 0.00 O ATOM 476 CB LEU A 33 15.721 6.870 14.311 1.00 0.00 C ATOM 477 CG LEU A 33 15.716 7.953 13.231 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.398 7.350 11.872 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.717 9.047 13.578 1.00 0.00 C ATOM 0 H LEU A 33 15.957 4.760 15.811 1.00 0.00 H new ATOM 0 HA LEU A 33 16.719 5.446 13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.717 6.453 14.384 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.941 7.341 15.269 1.00 0.00 H new ATOM 0 HG LEU A 33 16.710 8.398 13.185 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.399 8.135 11.116 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.151 6.603 11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.416 6.878 11.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.727 9.809 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.718 8.617 13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.990 9.499 14.531 1.00 0.00 H new ATOM 491 N PHE A 34 18.725 6.991 13.670 1.00 0.00 N ATOM 492 CA PHE A 34 20.070 7.487 13.938 1.00 0.00 C ATOM 493 C PHE A 34 20.075 9.008 14.060 1.00 0.00 C ATOM 494 O PHE A 34 19.619 9.716 13.161 1.00 0.00 O ATOM 495 CB PHE A 34 21.028 7.051 12.827 1.00 0.00 C ATOM 496 CG PHE A 34 22.390 7.676 12.929 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.134 7.561 14.092 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.925 8.380 11.863 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.387 8.137 14.190 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.178 8.957 11.954 1.00 0.00 C ATOM 501 CZ PHE A 34 24.910 8.834 13.119 1.00 0.00 C ATOM 0 H PHE A 34 18.313 7.337 12.804 1.00 0.00 H new ATOM 0 HA PHE A 34 20.404 7.063 14.885 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.132 5.966 12.853 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.592 7.306 11.861 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.730 7.015 14.932 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.357 8.479 10.950 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.956 8.042 15.103 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.584 9.503 11.115 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.890 9.282 13.192 1.00 0.00 H new ATOM 511 N PHE A 35 20.593 9.504 15.179 1.00 0.00 N ATOM 512 CA PHE A 35 20.656 10.941 15.420 1.00 0.00 C ATOM 513 C PHE A 35 21.927 11.309 16.180 1.00 0.00 C ATOM 514 O PHE A 35 22.328 10.616 17.116 1.00 0.00 O ATOM 515 CB PHE A 35 19.427 11.401 16.207 1.00 0.00 C ATOM 516 CG PHE A 35 19.450 10.987 17.651 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.045 9.717 18.028 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.875 11.869 18.631 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.065 9.333 19.355 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.898 11.491 19.960 1.00 0.00 C ATOM 521 CZ PHE A 35 19.491 10.221 20.323 1.00 0.00 C ATOM 0 H PHE A 35 20.975 8.933 15.933 1.00 0.00 H new ATOM 0 HA PHE A 35 20.671 11.447 14.454 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.355 12.487 16.150 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.531 10.997 15.736 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.710 9.019 17.276 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.192 12.863 18.353 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.748 8.339 19.635 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.234 12.187 20.714 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.506 9.924 21.361 1.00 0.00 H new ATOM 531 N HIS A 36 22.558 12.405 15.769 1.00 0.00 N ATOM 532 CA HIS A 36 23.785 12.866 16.410 1.00 0.00 C ATOM 533 C HIS A 36 23.492 13.995 17.393 1.00 0.00 C ATOM 534 O HIS A 36 22.414 14.588 17.370 1.00 0.00 O ATOM 535 CB HIS A 36 24.789 13.338 15.357 1.00 0.00 C ATOM 536 CG HIS A 36 26.201 13.378 15.853 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.904 14.551 16.029 1.00 0.00 N ATOM 538 CD2 HIS A 36 27.042 12.380 16.211 1.00 0.00 C ATOM 539 CE1 HIS A 36 28.117 14.273 16.473 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.226 12.962 16.593 1.00 0.00 N ATOM 0 H HIS A 36 22.240 12.990 14.996 1.00 0.00 H new ATOM 0 HA HIS A 36 24.215 12.030 16.962 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.735 12.676 14.493 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.504 14.333 15.015 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.823 11.323 16.199 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.888 14.995 16.699 1.00 0.00 H new ATOM 0 HE2 HIS A 36 29.055 12.463 16.917 1.00 0.00 H new ATOM 548 N VAL A 37 24.460 14.287 18.257 1.00 0.00 N ATOM 549 CA VAL A 37 24.306 15.345 19.248 1.00 0.00 C ATOM 550 C VAL A 37 24.015 16.685 18.582 1.00 0.00 C ATOM 551 O VAL A 37 23.441 17.585 19.195 1.00 0.00 O ATOM 552 CB VAL A 37 25.566 15.482 20.123 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.663 14.325 21.106 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.812 15.558 19.253 1.00 0.00 C ATOM 0 H VAL A 37 25.359 13.806 18.290 1.00 0.00 H new ATOM 0 HA VAL A 37 23.462 15.066 19.879 1.00 0.00 H new ATOM 0 HB VAL A 37 25.491 16.407 20.694 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.560 14.439 21.715 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.784 14.321 21.751 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.715 13.385 20.557 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.693 15.655 19.887 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.894 14.651 18.654 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.743 16.423 18.593 1.00 0.00 H new ATOM 564 N LYS A 38 24.415 16.811 17.321 1.00 0.00 N ATOM 565 CA LYS A 38 24.196 18.040 16.568 1.00 0.00 C ATOM 566 C LYS A 38 22.730 18.182 16.171 1.00 0.00 C ATOM 567 O LYS A 38 22.238 19.291 15.967 1.00 0.00 O ATOM 568 CB LYS A 38 25.078 18.060 15.317 1.00 0.00 C ATOM 569 CG LYS A 38 24.600 17.125 14.221 1.00 0.00 C ATOM 570 CD LYS A 38 25.754 16.642 13.357 1.00 0.00 C ATOM 571 CE LYS A 38 26.062 17.626 12.238 1.00 0.00 C ATOM 572 NZ LYS A 38 26.921 17.016 11.185 1.00 0.00 N ATOM 0 H LYS A 38 24.893 16.076 16.799 1.00 0.00 H new ATOM 0 HA LYS A 38 24.464 18.881 17.208 1.00 0.00 H new ATOM 0 HB2 LYS A 38 25.115 19.076 14.925 1.00 0.00 H new ATOM 0 HB3 LYS A 38 26.096 17.789 15.596 1.00 0.00 H new ATOM 0 HG2 LYS A 38 24.095 16.268 14.667 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.868 17.638 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.641 16.504 13.976 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.508 15.669 12.931 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.130 17.972 11.791 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.561 18.502 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.109 17.718 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.821 16.709 11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.434 16.195 10.772 1.00 0.00 H new ATOM 586 N GLU A 39 22.039 17.051 16.065 1.00 0.00 N ATOM 587 CA GLU A 39 20.629 17.052 15.693 1.00 0.00 C ATOM 588 C GLU A 39 19.793 17.800 16.727 1.00 0.00 C ATOM 589 O GLU A 39 19.205 18.841 16.432 1.00 0.00 O ATOM 590 CB GLU A 39 20.116 15.617 15.549 1.00 0.00 C ATOM 591 CG GLU A 39 20.703 14.878 14.358 1.00 0.00 C ATOM 592 CD GLU A 39 20.296 15.491 13.033 1.00 0.00 C ATOM 593 OE1 GLU A 39 19.464 16.422 13.040 1.00 0.00 O ATOM 594 OE2 GLU A 39 20.810 15.039 11.988 1.00 0.00 O ATOM 0 H GLU A 39 22.432 16.124 16.231 1.00 0.00 H new ATOM 0 HA GLU A 39 20.533 17.563 14.735 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.348 15.064 16.459 1.00 0.00 H new ATOM 0 HB3 GLU A 39 19.030 15.636 15.455 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.790 14.878 14.435 1.00 0.00 H new ATOM 0 HG3 GLU A 39 20.381 13.837 14.387 1.00 0.00 H new ATOM 601 N VAL A 40 19.746 17.263 17.942 1.00 0.00 N ATOM 602 CA VAL A 40 18.983 17.879 19.021 1.00 0.00 C ATOM 603 C VAL A 40 19.348 19.351 19.181 1.00 0.00 C ATOM 604 O VAL A 40 20.524 19.702 19.275 1.00 0.00 O ATOM 605 CB VAL A 40 19.219 17.155 20.360 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.693 17.191 20.734 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.367 17.774 21.458 1.00 0.00 C ATOM 0 H VAL A 40 20.227 16.403 18.204 1.00 0.00 H new ATOM 0 HA VAL A 40 17.930 17.795 18.752 1.00 0.00 H new ATOM 0 HB VAL A 40 18.923 16.112 20.246 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.840 16.675 21.683 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.278 16.697 19.958 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.019 18.227 20.830 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.547 17.250 22.397 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.630 18.826 21.573 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.313 17.690 21.192 1.00 0.00 H new ATOM 617 N GLN A 41 18.332 20.207 19.210 1.00 0.00 N ATOM 618 CA GLN A 41 18.546 21.642 19.358 1.00 0.00 C ATOM 619 C GLN A 41 17.973 22.144 20.679 1.00 0.00 C ATOM 620 O GLN A 41 17.576 21.354 21.536 1.00 0.00 O ATOM 621 CB GLN A 41 17.907 22.397 18.192 1.00 0.00 C ATOM 622 CG GLN A 41 18.193 21.775 16.834 1.00 0.00 C ATOM 623 CD GLN A 41 19.659 21.849 16.456 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.488 22.334 17.226 1.00 0.00 O ATOM 625 NE2 GLN A 41 19.988 21.366 15.263 1.00 0.00 N ATOM 0 H GLN A 41 17.353 19.932 19.133 1.00 0.00 H new ATOM 0 HA GLN A 41 19.620 21.826 19.355 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.828 22.437 18.344 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.268 23.425 18.195 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.876 20.732 16.842 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.599 22.283 16.074 1.00 0.00 H new ATOM 0 HE21 GLN A 41 19.269 20.973 14.656 1.00 0.00 H new ATOM 0 HE22 GLN A 41 20.960 21.388 14.954 1.00 0.00 H new ATOM 634 N ASP A 42 17.933 23.463 20.838 1.00 0.00 N ATOM 635 CA ASP A 42 17.408 24.071 22.055 1.00 0.00 C ATOM 636 C ASP A 42 18.207 23.624 23.275 1.00 0.00 C ATOM 637 O ASP A 42 17.705 23.638 24.398 1.00 0.00 O ATOM 638 CB ASP A 42 15.933 23.710 22.235 1.00 0.00 C ATOM 639 CG ASP A 42 15.140 24.824 22.890 1.00 0.00 C ATOM 640 OD1 ASP A 42 14.949 25.875 22.244 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.710 24.643 24.048 1.00 0.00 O ATOM 0 H ASP A 42 18.258 24.131 20.139 1.00 0.00 H new ATOM 0 HA ASP A 42 17.500 25.153 21.960 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.497 23.481 21.263 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.854 22.807 22.841 1.00 0.00 H new ATOM 646 N GLY A 43 19.455 23.226 23.045 1.00 0.00 N ATOM 647 CA GLY A 43 20.303 22.779 24.134 1.00 0.00 C ATOM 648 C GLY A 43 19.645 21.706 24.979 1.00 0.00 C ATOM 649 O GLY A 43 19.605 21.811 26.206 1.00 0.00 O ATOM 0 H GLY A 43 19.893 23.205 22.124 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.238 22.394 23.728 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.556 23.630 24.766 1.00 0.00 H new ATOM 653 N ILE A 44 19.126 20.674 24.323 1.00 0.00 N ATOM 654 CA ILE A 44 18.466 19.579 25.023 1.00 0.00 C ATOM 655 C ILE A 44 19.283 18.295 24.930 1.00 0.00 C ATOM 656 O ILE A 44 19.959 18.049 23.932 1.00 0.00 O ATOM 657 CB ILE A 44 17.057 19.319 24.458 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.277 20.630 24.349 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.311 18.323 25.334 1.00 0.00 C ATOM 660 CD1 ILE A 44 16.013 21.289 25.685 1.00 0.00 C ATOM 0 H ILE A 44 19.150 20.573 23.308 1.00 0.00 H new ATOM 0 HA ILE A 44 18.381 19.878 26.068 1.00 0.00 H new ATOM 0 HB ILE A 44 17.155 18.893 23.459 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.832 21.322 23.715 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.325 20.437 23.854 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.317 18.149 24.922 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.861 17.382 25.364 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.220 18.723 26.344 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.456 22.213 25.531 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.431 20.615 26.314 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.961 21.514 26.173 1.00 0.00 H new ATOM 672 N GLU A 45 19.215 17.479 25.977 1.00 0.00 N ATOM 673 CA GLU A 45 19.948 16.220 26.013 1.00 0.00 C ATOM 674 C GLU A 45 18.991 15.035 26.101 1.00 0.00 C ATOM 675 O GLU A 45 18.383 14.789 27.143 1.00 0.00 O ATOM 676 CB GLU A 45 20.913 16.199 27.201 1.00 0.00 C ATOM 677 CG GLU A 45 21.817 14.979 27.229 1.00 0.00 C ATOM 678 CD GLU A 45 23.079 15.169 26.410 1.00 0.00 C ATOM 679 OE1 GLU A 45 23.572 16.314 26.338 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.573 14.173 25.840 1.00 0.00 O ATOM 0 H GLU A 45 18.660 17.668 26.811 1.00 0.00 H new ATOM 0 HA GLU A 45 20.519 16.136 25.088 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.530 17.097 27.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.338 16.236 28.126 1.00 0.00 H new ATOM 0 HG2 GLU A 45 22.088 14.756 28.261 1.00 0.00 H new ATOM 0 HG3 GLU A 45 21.269 14.116 26.850 1.00 0.00 H new ATOM 687 N LEU A 46 18.862 14.304 24.999 1.00 0.00 N ATOM 688 CA LEU A 46 17.978 13.144 24.950 1.00 0.00 C ATOM 689 C LEU A 46 18.587 11.964 25.700 1.00 0.00 C ATOM 690 O LEU A 46 19.742 11.604 25.478 1.00 0.00 O ATOM 691 CB LEU A 46 17.701 12.751 23.497 1.00 0.00 C ATOM 692 CG LEU A 46 17.457 13.906 22.525 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.316 13.385 21.103 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.220 14.693 22.931 1.00 0.00 C ATOM 0 H LEU A 46 19.358 14.494 24.128 1.00 0.00 H new ATOM 0 HA LEU A 46 17.039 13.413 25.433 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.546 12.167 23.132 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.830 12.096 23.478 1.00 0.00 H new ATOM 0 HG LEU A 46 18.317 14.575 22.562 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.143 14.221 20.425 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.230 12.866 20.813 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.474 12.695 21.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.062 15.511 22.228 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.351 14.035 22.923 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.359 15.098 23.933 1.00 0.00 H new ATOM 706 N GLN A 47 17.799 11.364 26.587 1.00 0.00 N ATOM 707 CA GLN A 47 18.260 10.223 27.369 1.00 0.00 C ATOM 708 C GLN A 47 17.402 8.992 27.094 1.00 0.00 C ATOM 709 O GLN A 47 16.513 9.021 26.244 1.00 0.00 O ATOM 710 CB GLN A 47 18.232 10.556 28.862 1.00 0.00 C ATOM 711 CG GLN A 47 19.158 11.697 29.248 1.00 0.00 C ATOM 712 CD GLN A 47 20.594 11.246 29.434 1.00 0.00 C ATOM 713 OE1 GLN A 47 20.878 10.354 30.234 1.00 0.00 O ATOM 714 NE2 GLN A 47 21.509 11.862 28.694 1.00 0.00 N ATOM 0 H GLN A 47 16.839 11.649 26.782 1.00 0.00 H new ATOM 0 HA GLN A 47 19.285 10.002 27.073 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.213 10.813 29.149 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.508 9.667 29.429 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.120 12.467 28.478 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.802 12.152 30.172 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.229 12.596 28.043 1.00 0.00 H new ATOM 0 HE22 GLN A 47 22.492 11.601 28.776 1.00 0.00 H new ATOM 723 N ALA A 48 17.676 7.912 27.819 1.00 0.00 N ATOM 724 CA ALA A 48 16.929 6.672 27.654 1.00 0.00 C ATOM 725 C ALA A 48 15.512 6.808 28.200 1.00 0.00 C ATOM 726 O ALA A 48 15.316 7.146 29.367 1.00 0.00 O ATOM 727 CB ALA A 48 17.653 5.523 28.340 1.00 0.00 C ATOM 0 H ALA A 48 18.410 7.871 28.526 1.00 0.00 H new ATOM 0 HA ALA A 48 16.861 6.458 26.587 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.083 4.603 28.208 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.643 5.402 27.900 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.752 5.739 29.404 1.00 0.00 H new ATOM 733 N GLY A 49 14.525 6.544 27.349 1.00 0.00 N ATOM 734 CA GLY A 49 13.139 6.644 27.765 1.00 0.00 C ATOM 735 C GLY A 49 12.581 8.043 27.593 1.00 0.00 C ATOM 736 O GLY A 49 11.536 8.375 28.152 1.00 0.00 O ATOM 0 H GLY A 49 14.661 6.262 26.378 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.538 5.943 27.186 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.055 6.349 28.811 1.00 0.00 H new ATOM 740 N ASP A 50 13.280 8.865 26.819 1.00 0.00 N ATOM 741 CA ASP A 50 12.849 10.237 26.575 1.00 0.00 C ATOM 742 C ASP A 50 12.184 10.363 25.208 1.00 0.00 C ATOM 743 O ASP A 50 12.833 10.199 24.175 1.00 0.00 O ATOM 744 CB ASP A 50 14.040 11.192 26.667 1.00 0.00 C ATOM 745 CG ASP A 50 14.367 11.574 28.098 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.136 10.742 29.000 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.853 12.703 28.314 1.00 0.00 O ATOM 0 H ASP A 50 14.148 8.606 26.350 1.00 0.00 H new ATOM 0 HA ASP A 50 12.119 10.504 27.339 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.913 10.725 26.210 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.824 12.094 26.094 1.00 0.00 H new ATOM 752 N GLU A 51 10.887 10.653 25.210 1.00 0.00 N ATOM 753 CA GLU A 51 10.135 10.799 23.970 1.00 0.00 C ATOM 754 C GLU A 51 10.454 12.129 23.293 1.00 0.00 C ATOM 755 O GLU A 51 10.440 13.182 23.930 1.00 0.00 O ATOM 756 CB GLU A 51 8.633 10.701 24.243 1.00 0.00 C ATOM 757 CG GLU A 51 7.833 10.170 23.065 1.00 0.00 C ATOM 758 CD GLU A 51 6.432 9.743 23.457 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.997 10.089 24.576 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.769 9.063 22.646 1.00 0.00 O ATOM 0 H GLU A 51 10.335 10.791 26.057 1.00 0.00 H new ATOM 0 HA GLU A 51 10.429 9.990 23.301 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.470 10.052 25.104 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.256 11.688 24.512 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.772 10.939 22.295 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.358 9.321 22.627 1.00 0.00 H new ATOM 767 N VAL A 52 10.743 12.072 21.996 1.00 0.00 N ATOM 768 CA VAL A 52 11.066 13.271 21.232 1.00 0.00 C ATOM 769 C VAL A 52 10.293 13.309 19.918 1.00 0.00 C ATOM 770 O VAL A 52 9.888 12.272 19.395 1.00 0.00 O ATOM 771 CB VAL A 52 12.574 13.355 20.930 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.375 13.411 22.222 1.00 0.00 C ATOM 773 CG2 VAL A 52 13.012 12.178 20.072 1.00 0.00 C ATOM 0 H VAL A 52 10.760 11.209 21.453 1.00 0.00 H new ATOM 0 HA VAL A 52 10.778 14.125 21.845 1.00 0.00 H new ATOM 0 HB VAL A 52 12.765 14.272 20.372 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.438 13.470 21.989 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.080 14.290 22.795 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.182 12.513 22.809 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.080 12.254 19.868 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.808 11.247 20.601 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.462 12.189 19.131 1.00 0.00 H new ATOM 783 N GLU A 53 10.092 14.513 19.391 1.00 0.00 N ATOM 784 CA GLU A 53 9.367 14.686 18.138 1.00 0.00 C ATOM 785 C GLU A 53 10.296 15.189 17.037 1.00 0.00 C ATOM 786 O GLU A 53 10.855 16.282 17.131 1.00 0.00 O ATOM 787 CB GLU A 53 8.206 15.665 18.326 1.00 0.00 C ATOM 788 CG GLU A 53 7.423 15.933 17.051 1.00 0.00 C ATOM 789 CD GLU A 53 6.380 17.020 17.225 1.00 0.00 C ATOM 790 OE1 GLU A 53 6.727 18.208 17.058 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.217 16.682 17.527 1.00 0.00 O ATOM 0 H GLU A 53 10.421 15.382 19.812 1.00 0.00 H new ATOM 0 HA GLU A 53 8.971 13.715 17.840 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.528 15.270 19.083 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.596 16.609 18.708 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.114 16.221 16.259 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.934 15.014 16.729 1.00 0.00 H new ATOM 798 N PHE A 54 10.457 14.382 15.993 1.00 0.00 N ATOM 799 CA PHE A 54 11.319 14.743 14.873 1.00 0.00 C ATOM 800 C PHE A 54 10.600 14.535 13.544 1.00 0.00 C ATOM 801 O PHE A 54 9.575 13.856 13.479 1.00 0.00 O ATOM 802 CB PHE A 54 12.605 13.915 14.905 1.00 0.00 C ATOM 803 CG PHE A 54 12.363 12.436 15.006 1.00 0.00 C ATOM 804 CD1 PHE A 54 12.009 11.701 13.886 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.491 11.781 16.220 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.785 10.340 13.977 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.269 10.420 16.316 1.00 0.00 C ATOM 808 CZ PHE A 54 11.917 9.698 15.193 1.00 0.00 C ATOM 0 H PHE A 54 10.002 13.474 15.899 1.00 0.00 H new ATOM 0 HA PHE A 54 11.572 15.799 14.967 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.182 14.120 14.003 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.212 14.234 15.752 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.907 12.197 12.932 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.767 12.340 17.102 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.507 9.779 13.097 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.371 9.922 17.269 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.745 8.634 15.265 1.00 0.00 H new ATOM 818 N SER A 55 11.145 15.125 12.484 1.00 0.00 N ATOM 819 CA SER A 55 10.554 15.009 11.157 1.00 0.00 C ATOM 820 C SER A 55 11.354 14.043 10.288 1.00 0.00 C ATOM 821 O SER A 55 12.584 14.096 10.251 1.00 0.00 O ATOM 822 CB SER A 55 10.486 16.381 10.483 1.00 0.00 C ATOM 823 OG SER A 55 11.772 16.971 10.397 1.00 0.00 O ATOM 0 H SER A 55 11.995 15.688 12.519 1.00 0.00 H new ATOM 0 HA SER A 55 9.543 14.617 11.270 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.062 16.278 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.820 17.034 11.047 1.00 0.00 H new ATOM 0 HG SER A 55 11.702 17.846 9.961 1.00 0.00 H new ATOM 829 N VAL A 56 10.647 13.160 9.590 1.00 0.00 N ATOM 830 CA VAL A 56 11.290 12.181 8.721 1.00 0.00 C ATOM 831 C VAL A 56 11.784 12.831 7.433 1.00 0.00 C ATOM 832 O VAL A 56 10.988 13.295 6.616 1.00 0.00 O ATOM 833 CB VAL A 56 10.331 11.029 8.367 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.064 9.942 7.595 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.692 10.463 9.626 1.00 0.00 C ATOM 0 H VAL A 56 9.629 13.102 9.609 1.00 0.00 H new ATOM 0 HA VAL A 56 12.141 11.779 9.271 1.00 0.00 H new ATOM 0 HB VAL A 56 9.538 11.421 7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.370 9.136 7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.469 10.360 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.878 9.549 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.017 9.650 9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.469 10.085 10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.131 11.248 10.133 1.00 0.00 H new ATOM 845 N ILE A 57 13.101 12.861 7.259 1.00 0.00 N ATOM 846 CA ILE A 57 13.700 13.453 6.070 1.00 0.00 C ATOM 847 C ILE A 57 14.380 12.392 5.211 1.00 0.00 C ATOM 848 O ILE A 57 15.238 11.648 5.688 1.00 0.00 O ATOM 849 CB ILE A 57 14.730 14.537 6.438 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.136 15.511 7.458 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.186 15.280 5.192 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.894 16.220 6.963 1.00 0.00 C ATOM 0 H ILE A 57 13.773 12.482 7.926 1.00 0.00 H new ATOM 0 HA ILE A 57 12.889 13.912 5.504 1.00 0.00 H new ATOM 0 HB ILE A 57 15.598 14.054 6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.894 14.966 8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.889 16.254 7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.914 16.043 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.644 14.577 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.327 15.754 4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.527 16.894 7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.134 16.792 6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.125 15.485 6.728 1.00 0.00 H new ATOM 864 N LEU A 58 13.994 12.329 3.942 1.00 0.00 N ATOM 865 CA LEU A 58 14.568 11.360 3.015 1.00 0.00 C ATOM 866 C LEU A 58 15.579 12.027 2.088 1.00 0.00 C ATOM 867 O LEU A 58 15.336 13.115 1.567 1.00 0.00 O ATOM 868 CB LEU A 58 13.463 10.698 2.190 1.00 0.00 C ATOM 869 CG LEU A 58 13.922 9.908 0.964 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.788 8.730 1.381 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.723 9.432 0.156 1.00 0.00 C ATOM 0 H LEU A 58 13.286 12.937 3.531 1.00 0.00 H new ATOM 0 HA LEU A 58 15.084 10.598 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.904 10.027 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.770 11.472 1.860 1.00 0.00 H new ATOM 0 HG LEU A 58 14.520 10.567 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.105 8.180 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.665 9.095 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.215 8.070 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.069 8.872 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.098 8.790 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.143 10.293 -0.175 1.00 0.00 H new ATOM 883 N ASN A 59 16.713 11.365 1.884 1.00 0.00 N ATOM 884 CA ASN A 59 17.762 11.893 1.018 1.00 0.00 C ATOM 885 C ASN A 59 17.740 11.204 -0.343 1.00 0.00 C ATOM 886 O ASN A 59 17.581 9.987 -0.431 1.00 0.00 O ATOM 887 CB ASN A 59 19.133 11.711 1.673 1.00 0.00 C ATOM 888 CG ASN A 59 19.479 12.848 2.614 1.00 0.00 C ATOM 889 OD1 ASN A 59 19.049 13.985 2.417 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.262 12.547 3.643 1.00 0.00 N ATOM 0 H ASN A 59 16.930 10.462 2.306 1.00 0.00 H new ATOM 0 HA ASN A 59 17.576 12.957 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.148 10.770 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.896 11.639 0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.530 13.272 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 59 20.595 11.591 3.768 1.00 0.00 H new ATOM 897 N GLN A 60 17.903 11.992 -1.401 1.00 0.00 N ATOM 898 CA GLN A 60 17.902 11.458 -2.758 1.00 0.00 C ATOM 899 C GLN A 60 19.308 11.044 -3.181 1.00 0.00 C ATOM 900 O GLN A 60 19.479 10.160 -4.020 1.00 0.00 O ATOM 901 CB GLN A 60 17.347 12.495 -3.737 1.00 0.00 C ATOM 902 CG GLN A 60 15.835 12.440 -3.888 1.00 0.00 C ATOM 903 CD GLN A 60 15.342 13.207 -5.099 1.00 0.00 C ATOM 904 OE1 GLN A 60 15.770 12.954 -6.225 1.00 0.00 O ATOM 905 NE2 GLN A 60 14.437 14.152 -4.873 1.00 0.00 N ATOM 0 H GLN A 60 18.037 13.002 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 60 17.263 10.575 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.634 13.491 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.807 12.344 -4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.519 11.400 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.369 12.847 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.110 14.328 -3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.069 14.702 -5.649 1.00 0.00 H new ATOM 914 N ARG A 61 20.311 11.689 -2.594 1.00 0.00 N ATOM 915 CA ARG A 61 21.702 11.388 -2.912 1.00 0.00 C ATOM 916 C ARG A 61 22.118 10.047 -2.315 1.00 0.00 C ATOM 917 O ARG A 61 22.732 9.219 -2.989 1.00 0.00 O ATOM 918 CB ARG A 61 22.617 12.497 -2.389 1.00 0.00 C ATOM 919 CG ARG A 61 23.993 12.505 -3.035 1.00 0.00 C ATOM 920 CD ARG A 61 24.018 13.377 -4.280 1.00 0.00 C ATOM 921 NE ARG A 61 25.381 13.659 -4.723 1.00 0.00 N ATOM 922 CZ ARG A 61 25.676 14.171 -5.913 1.00 0.00 C ATOM 923 NH1 ARG A 61 24.708 14.456 -6.774 1.00 0.00 N ATOM 924 NH2 ARG A 61 26.940 14.400 -6.243 1.00 0.00 N ATOM 0 H ARG A 61 20.187 12.423 -1.896 1.00 0.00 H new ATOM 0 HA ARG A 61 21.797 11.328 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.139 13.462 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.731 12.384 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.730 12.869 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.279 11.486 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 61 23.472 12.880 -5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.502 14.315 -4.076 1.00 0.00 H new ATOM 0 HE ARG A 61 26.148 13.452 -4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 61 23.735 14.282 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 61 24.937 14.849 -7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 61 27.687 14.183 -5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 61 27.165 14.793 -7.157 1.00 0.00 H new ATOM 938 N THR A 62 21.779 9.838 -1.047 1.00 0.00 N ATOM 939 CA THR A 62 22.118 8.599 -0.359 1.00 0.00 C ATOM 940 C THR A 62 20.976 7.594 -0.441 1.00 0.00 C ATOM 941 O THR A 62 21.155 6.473 -0.916 1.00 0.00 O ATOM 942 CB THR A 62 22.458 8.853 1.122 1.00 0.00 C ATOM 943 OG1 THR A 62 21.367 9.518 1.768 1.00 0.00 O ATOM 944 CG2 THR A 62 23.719 9.694 1.252 1.00 0.00 C ATOM 0 H THR A 62 21.269 10.512 -0.475 1.00 0.00 H new ATOM 0 HA THR A 62 22.995 8.190 -0.860 1.00 0.00 H new ATOM 0 HB THR A 62 22.632 7.890 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.590 9.674 2.709 1.00 0.00 H new ATOM 0 HG21 THR A 62 23.939 9.860 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.554 9.172 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.569 10.654 0.757 1.00 0.00 H new ATOM 952 N GLY A 63 19.799 8.002 0.024 1.00 0.00 N ATOM 953 CA GLY A 63 18.643 7.125 -0.006 1.00 0.00 C ATOM 954 C GLY A 63 18.293 6.579 1.364 1.00 0.00 C ATOM 955 O GLY A 63 17.694 5.510 1.480 1.00 0.00 O ATOM 0 H GLY A 63 19.625 8.925 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.788 7.670 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.838 6.295 -0.685 1.00 0.00 H new ATOM 959 N LYS A 64 18.669 7.313 2.405 1.00 0.00 N ATOM 960 CA LYS A 64 18.392 6.898 3.775 1.00 0.00 C ATOM 961 C LYS A 64 17.577 7.956 4.511 1.00 0.00 C ATOM 962 O LYS A 64 17.293 9.024 3.966 1.00 0.00 O ATOM 963 CB LYS A 64 19.700 6.634 4.524 1.00 0.00 C ATOM 964 CG LYS A 64 20.626 5.664 3.810 1.00 0.00 C ATOM 965 CD LYS A 64 21.784 5.242 4.697 1.00 0.00 C ATOM 966 CE LYS A 64 21.338 4.255 5.765 1.00 0.00 C ATOM 967 NZ LYS A 64 22.446 3.353 6.185 1.00 0.00 N ATOM 0 H LYS A 64 19.167 8.200 2.326 1.00 0.00 H new ATOM 0 HA LYS A 64 17.809 5.978 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.222 7.580 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.469 6.240 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.063 4.783 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.012 6.129 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.565 4.790 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.219 6.121 5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.966 4.801 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.509 3.659 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.101 2.696 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.784 2.813 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 23.227 3.920 6.572 1.00 0.00 H new ATOM 981 N CYS A 65 17.205 7.655 5.750 1.00 0.00 N ATOM 982 CA CYS A 65 16.423 8.582 6.560 1.00 0.00 C ATOM 983 C CYS A 65 17.140 8.897 7.869 1.00 0.00 C ATOM 984 O CYS A 65 17.939 8.099 8.359 1.00 0.00 O ATOM 985 CB CYS A 65 15.040 7.996 6.850 1.00 0.00 C ATOM 986 SG CYS A 65 14.132 7.482 5.374 1.00 0.00 S ATOM 0 H CYS A 65 17.432 6.776 6.216 1.00 0.00 H new ATOM 0 HA CYS A 65 16.306 9.509 5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.153 7.137 7.512 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.449 8.737 7.388 1.00 0.00 H new ATOM 0 HG CYS A 65 12.977 6.998 5.722 1.00 0.00 H new ATOM 992 N SER A 66 16.849 10.067 8.429 1.00 0.00 N ATOM 993 CA SER A 66 17.470 10.491 9.679 1.00 0.00 C ATOM 994 C SER A 66 16.595 11.510 10.402 1.00 0.00 C ATOM 995 O SER A 66 15.540 11.902 9.905 1.00 0.00 O ATOM 996 CB SER A 66 18.852 11.090 9.409 1.00 0.00 C ATOM 997 OG SER A 66 18.788 12.090 8.407 1.00 0.00 O ATOM 0 H SER A 66 16.188 10.738 8.037 1.00 0.00 H new ATOM 0 HA SER A 66 17.580 9.614 10.317 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.252 11.517 10.328 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.539 10.303 9.098 1.00 0.00 H new ATOM 0 HG SER A 66 19.683 12.458 8.254 1.00 0.00 H new ATOM 1003 N ALA A 67 17.041 11.934 11.580 1.00 0.00 N ATOM 1004 CA ALA A 67 16.301 12.908 12.372 1.00 0.00 C ATOM 1005 C ALA A 67 16.806 14.324 12.113 1.00 0.00 C ATOM 1006 O ALA A 67 17.972 14.524 11.770 1.00 0.00 O ATOM 1007 CB ALA A 67 16.402 12.572 13.852 1.00 0.00 C ATOM 0 H ALA A 67 17.912 11.618 12.007 1.00 0.00 H new ATOM 0 HA ALA A 67 15.254 12.863 12.072 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.844 13.308 14.431 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.986 11.580 14.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.448 12.587 14.158 1.00 0.00 H new ATOM 1013 N CYS A 68 15.923 15.302 12.280 1.00 0.00 N ATOM 1014 CA CYS A 68 16.280 16.700 12.063 1.00 0.00 C ATOM 1015 C CYS A 68 15.640 17.594 13.121 1.00 0.00 C ATOM 1016 O CYS A 68 14.424 17.582 13.305 1.00 0.00 O ATOM 1017 CB CYS A 68 15.845 17.148 10.667 1.00 0.00 C ATOM 1018 SG CYS A 68 17.059 16.809 9.371 1.00 0.00 S ATOM 0 H CYS A 68 14.955 15.153 12.565 1.00 0.00 H new ATOM 0 HA CYS A 68 17.363 16.791 12.144 1.00 0.00 H new ATOM 0 HB2 CYS A 68 14.909 16.650 10.413 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.641 18.219 10.688 1.00 0.00 H new ATOM 0 HG CYS A 68 17.850 15.852 9.757 1.00 0.00 H new ATOM 1024 N ASN A 69 16.470 18.368 13.813 1.00 0.00 N ATOM 1025 CA ASN A 69 15.985 19.268 14.854 1.00 0.00 C ATOM 1026 C ASN A 69 15.108 18.521 15.853 1.00 0.00 C ATOM 1027 O ASN A 69 13.973 18.918 16.118 1.00 0.00 O ATOM 1028 CB ASN A 69 15.199 20.424 14.233 1.00 0.00 C ATOM 1029 CG ASN A 69 16.012 21.191 13.207 1.00 0.00 C ATOM 1030 OD1 ASN A 69 17.243 21.190 13.248 1.00 0.00 O ATOM 1031 ND2 ASN A 69 15.326 21.850 12.281 1.00 0.00 N ATOM 0 H ASN A 69 17.480 18.390 13.672 1.00 0.00 H new ATOM 0 HA ASN A 69 16.849 19.669 15.384 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.297 20.034 13.760 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.877 21.105 15.021 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.819 22.384 11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.306 21.823 12.286 1.00 0.00 H new ATOM 1038 N VAL A 70 15.641 17.436 16.406 1.00 0.00 N ATOM 1039 CA VAL A 70 14.908 16.634 17.378 1.00 0.00 C ATOM 1040 C VAL A 70 14.534 17.461 18.603 1.00 0.00 C ATOM 1041 O VAL A 70 15.378 18.142 19.186 1.00 0.00 O ATOM 1042 CB VAL A 70 15.728 15.410 17.829 1.00 0.00 C ATOM 1043 CG1 VAL A 70 14.892 14.507 18.723 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.250 14.645 16.623 1.00 0.00 C ATOM 0 H VAL A 70 16.578 17.092 16.197 1.00 0.00 H new ATOM 0 HA VAL A 70 13.999 16.291 16.884 1.00 0.00 H new ATOM 0 HB VAL A 70 16.584 15.760 18.406 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.488 13.648 19.032 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.573 15.063 19.605 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.016 14.162 18.174 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.827 13.784 16.960 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.410 14.305 16.017 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.887 15.297 16.026 1.00 0.00 H new ATOM 1054 N TRP A 71 13.265 17.396 18.989 1.00 0.00 N ATOM 1055 CA TRP A 71 12.779 18.139 20.146 1.00 0.00 C ATOM 1056 C TRP A 71 12.285 17.191 21.233 1.00 0.00 C ATOM 1057 O TRP A 71 11.582 16.220 20.951 1.00 0.00 O ATOM 1058 CB TRP A 71 11.655 19.090 19.732 1.00 0.00 C ATOM 1059 CG TRP A 71 10.910 19.671 20.895 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.875 19.095 21.576 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.140 20.943 21.511 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.449 19.933 22.579 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.210 21.072 22.561 1.00 0.00 C ATOM 1064 CE3 TRP A 71 12.044 21.983 21.280 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 10.158 22.200 23.375 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 11.991 23.103 22.088 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.054 23.204 23.126 1.00 0.00 C ATOM 0 H TRP A 71 12.554 16.837 18.518 1.00 0.00 H new ATOM 0 HA TRP A 71 13.608 18.721 20.547 1.00 0.00 H new ATOM 0 HB2 TRP A 71 12.076 19.901 19.137 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.954 18.555 19.091 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.454 18.125 21.358 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.689 19.738 23.231 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.771 21.913 20.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.436 22.280 24.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.683 23.914 21.917 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.039 24.092 23.741 1.00 0.00 H new ATOM 1078 N ARG A 72 12.656 17.479 22.476 1.00 0.00 N ATOM 1079 CA ARG A 72 12.251 16.650 23.606 1.00 0.00 C ATOM 1080 C ARG A 72 10.798 16.920 23.984 1.00 0.00 C ATOM 1081 O ARG A 72 10.443 18.032 24.374 1.00 0.00 O ATOM 1082 CB ARG A 72 13.159 16.912 24.809 1.00 0.00 C ATOM 1083 CG ARG A 72 13.329 15.705 25.717 1.00 0.00 C ATOM 1084 CD ARG A 72 13.650 16.122 27.144 1.00 0.00 C ATOM 1085 NE ARG A 72 12.517 16.778 27.790 1.00 0.00 N ATOM 1086 CZ ARG A 72 12.541 17.222 29.042 1.00 0.00 C ATOM 1087 NH1 ARG A 72 13.635 17.082 29.778 1.00 0.00 N ATOM 1088 NH2 ARG A 72 11.469 17.808 29.560 1.00 0.00 N ATOM 0 H ARG A 72 13.236 18.280 22.727 1.00 0.00 H new ATOM 0 HA ARG A 72 12.344 15.605 23.310 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.139 17.228 24.452 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.749 17.738 25.390 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.416 15.110 25.707 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.128 15.070 25.334 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.938 15.244 27.722 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.506 16.797 27.141 1.00 0.00 H new ATOM 0 HE ARG A 72 11.660 16.902 27.251 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.461 16.632 29.383 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.650 17.424 30.739 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.626 17.918 28.997 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.488 18.149 30.521 1.00 0.00 H new ATOM 1102 N VAL A 73 9.961 15.894 23.865 1.00 0.00 N ATOM 1103 CA VAL A 73 8.546 16.020 24.195 1.00 0.00 C ATOM 1104 C VAL A 73 8.275 15.582 25.630 1.00 0.00 C ATOM 1105 O VAL A 73 7.327 16.047 26.263 1.00 0.00 O ATOM 1106 CB VAL A 73 7.671 15.184 23.242 1.00 0.00 C ATOM 1107 CG1 VAL A 73 6.197 15.474 23.477 1.00 0.00 C ATOM 1108 CG2 VAL A 73 8.052 15.455 21.794 1.00 0.00 C ATOM 0 H VAL A 73 10.238 14.967 23.543 1.00 0.00 H new ATOM 0 HA VAL A 73 8.288 17.073 24.084 1.00 0.00 H new ATOM 0 HB VAL A 73 7.846 14.128 23.449 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.595 14.874 22.795 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.937 15.225 24.506 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.001 16.532 23.300 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.424 14.856 21.134 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.907 16.512 21.571 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.098 15.191 21.637 1.00 0.00 H new ATOM 1118 N SER A 74 9.115 14.687 26.139 1.00 0.00 N ATOM 1119 CA SER A 74 8.965 14.183 27.499 1.00 0.00 C ATOM 1120 C SER A 74 10.320 13.808 28.092 1.00 0.00 C ATOM 1121 O SER A 74 11.276 13.541 27.366 1.00 0.00 O ATOM 1122 CB SER A 74 8.034 12.970 27.517 1.00 0.00 C ATOM 1123 OG SER A 74 7.607 12.674 28.835 1.00 0.00 O ATOM 0 H SER A 74 9.907 14.296 25.630 1.00 0.00 H new ATOM 0 HA SER A 74 8.528 14.975 28.107 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.167 13.164 26.885 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.549 12.106 27.096 1.00 0.00 H new ATOM 0 HG SER A 74 7.012 11.896 28.819 1.00 0.00 H new