USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 508 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 63 GLN : amide:sc= 0.299 K(o=0.68,f=-1.9!) USER MOD Set 1.2: A 67 SER OG : rot 144:sc= 0.378 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 73:sc= 0.658 USER MOD Single : A 19 TYR OH : rot -166:sc= 0.919 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 175:sc= -0.163 (180deg=-0.231) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0475 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 18.397 0.250 -6.661 1.00 63.34 N ATOM 118 CA ALA A 10 18.959 1.070 -7.735 1.00 24.41 C ATOM 119 C ALA A 10 19.290 0.245 -8.980 1.00 2.22 C ATOM 120 O ALA A 10 19.064 0.684 -10.100 1.00 34.02 O ATOM 121 CB ALA A 10 20.206 1.794 -7.237 1.00 53.32 C ATOM 0 HA ALA A 10 18.201 1.799 -8.022 1.00 24.41 H new ATOM 0 HB1 ALA A 10 20.619 2.402 -8.041 1.00 53.32 H new ATOM 0 HB2 ALA A 10 19.943 2.435 -6.396 1.00 53.32 H new ATOM 0 HB3 ALA A 10 20.948 1.062 -6.918 1.00 53.32 H new ATOM 127 N THR A 11 19.822 -0.949 -8.779 1.00 14.12 N ATOM 128 CA THR A 11 20.228 -1.823 -9.884 1.00 40.44 C ATOM 129 C THR A 11 19.085 -2.171 -10.836 1.00 60.33 C ATOM 130 O THR A 11 19.326 -2.488 -11.995 1.00 35.13 O ATOM 131 CB THR A 11 20.785 -3.139 -9.353 1.00 4.05 C ATOM 132 OG1 THR A 11 21.274 -2.923 -8.026 1.00 61.51 O ATOM 133 CG2 THR A 11 21.911 -3.653 -10.226 1.00 70.11 C ATOM 0 H THR A 11 19.987 -1.345 -7.853 1.00 14.12 H new ATOM 0 HA THR A 11 20.982 -1.257 -10.431 1.00 40.44 H new ATOM 0 HB THR A 11 19.990 -3.885 -9.356 1.00 4.05 H new ATOM 0 HG1 THR A 11 21.634 -3.762 -7.670 1.00 61.51 H new ATOM 0 HG21 THR A 11 22.286 -4.592 -9.820 1.00 70.11 H new ATOM 0 HG22 THR A 11 21.541 -3.817 -11.238 1.00 70.11 H new ATOM 0 HG23 THR A 11 22.717 -2.920 -10.249 1.00 70.11 H new ATOM 141 N GLU A 12 17.848 -2.129 -10.365 1.00 10.52 N ATOM 142 CA GLU A 12 16.697 -2.478 -11.180 1.00 64.51 C ATOM 143 C GLU A 12 16.636 -1.609 -12.429 1.00 31.41 C ATOM 144 O GLU A 12 16.192 -2.051 -13.483 1.00 14.23 O ATOM 145 CB GLU A 12 15.428 -2.346 -10.349 1.00 71.33 C ATOM 146 CG GLU A 12 15.422 -3.294 -9.141 1.00 30.33 C ATOM 147 CD GLU A 12 14.298 -3.075 -8.175 1.00 12.44 C ATOM 148 OE1 GLU A 12 13.290 -2.441 -8.518 1.00 53.02 O ATOM 149 OE2 GLU A 12 14.444 -3.518 -7.020 1.00 73.01 O ATOM 0 H GLU A 12 17.615 -1.853 -9.411 1.00 10.52 H new ATOM 0 HA GLU A 12 16.791 -3.513 -11.510 1.00 64.51 H new ATOM 0 HB2 GLU A 12 15.329 -1.318 -10.002 1.00 71.33 H new ATOM 0 HB3 GLU A 12 14.562 -2.555 -10.977 1.00 71.33 H new ATOM 0 HG2 GLU A 12 15.376 -4.321 -9.503 1.00 30.33 H new ATOM 0 HG3 GLU A 12 16.367 -3.186 -8.608 1.00 30.33 H new ATOM 156 N LYS A 13 17.150 -0.375 -12.318 1.00 14.40 N ATOM 157 CA LYS A 13 17.154 0.535 -13.489 1.00 11.41 C ATOM 158 C LYS A 13 18.012 0.036 -14.607 1.00 52.24 C ATOM 159 O LYS A 13 17.700 0.313 -15.766 1.00 23.12 O ATOM 160 CB LYS A 13 17.609 1.919 -13.004 1.00 62.45 C ATOM 161 CG LYS A 13 19.148 2.100 -12.956 1.00 72.51 C ATOM 162 CD LYS A 13 19.590 3.295 -12.125 1.00 52.01 C ATOM 163 CE LYS A 13 19.203 4.612 -12.769 1.00 42.42 C ATOM 164 NZ LYS A 13 19.815 5.741 -11.998 1.00 10.53 N ATOM 0 H LYS A 13 17.556 0.012 -11.466 1.00 14.40 H new ATOM 0 HA LYS A 13 16.147 0.588 -13.904 1.00 11.41 H new ATOM 0 HB2 LYS A 13 17.185 2.679 -13.660 1.00 62.45 H new ATOM 0 HB3 LYS A 13 17.202 2.095 -12.008 1.00 62.45 H new ATOM 0 HG2 LYS A 13 19.600 1.196 -12.548 1.00 72.51 H new ATOM 0 HG3 LYS A 13 19.525 2.214 -13.972 1.00 72.51 H new ATOM 0 HD2 LYS A 13 19.142 3.232 -11.133 1.00 52.01 H new ATOM 0 HD3 LYS A 13 20.671 3.262 -11.990 1.00 52.01 H new ATOM 0 HE2 LYS A 13 19.543 4.637 -13.804 1.00 42.42 H new ATOM 0 HE3 LYS A 13 18.118 4.716 -12.788 1.00 42.42 H new ATOM 0 HZ1 LYS A 13 19.551 6.645 -12.438 1.00 10.53 H new ATOM 0 HZ2 LYS A 13 19.469 5.719 -11.017 1.00 10.53 H new ATOM 0 HZ3 LYS A 13 20.850 5.643 -12.002 1.00 10.53 H new ATOM 178 N VAL A 14 19.109 -0.647 -14.326 1.00 54.54 N ATOM 179 CA VAL A 14 20.045 -1.045 -15.378 1.00 23.43 C ATOM 180 C VAL A 14 19.400 -2.216 -16.092 1.00 73.11 C ATOM 181 O VAL A 14 19.503 -2.347 -17.285 1.00 11.12 O ATOM 182 CB VAL A 14 21.496 -1.381 -14.852 1.00 42.25 C ATOM 183 CG1 VAL A 14 21.906 -0.440 -13.698 1.00 15.31 C ATOM 184 CG2 VAL A 14 21.640 -2.845 -14.386 1.00 44.20 C ATOM 0 H VAL A 14 19.377 -0.939 -13.386 1.00 54.54 H new ATOM 0 HA VAL A 14 20.217 -0.210 -16.058 1.00 23.43 H new ATOM 0 HB VAL A 14 22.161 -1.230 -15.703 1.00 42.25 H new ATOM 0 HG11 VAL A 14 22.909 -0.697 -13.358 1.00 15.31 H new ATOM 0 HG12 VAL A 14 21.895 0.592 -14.049 1.00 15.31 H new ATOM 0 HG13 VAL A 14 21.204 -0.550 -12.872 1.00 15.31 H new ATOM 0 HG21 VAL A 14 22.658 -3.017 -14.036 1.00 44.20 H new ATOM 0 HG22 VAL A 14 20.939 -3.039 -13.574 1.00 44.20 H new ATOM 0 HG23 VAL A 14 21.425 -3.515 -15.219 1.00 44.20 H new ATOM 194 N LEU A 15 18.695 -3.054 -15.348 1.00 41.44 N ATOM 195 CA LEU A 15 18.111 -4.274 -15.883 1.00 4.51 C ATOM 196 C LEU A 15 16.939 -3.932 -16.776 1.00 64.01 C ATOM 197 O LEU A 15 16.797 -4.504 -17.846 1.00 54.11 O ATOM 198 CB LEU A 15 17.641 -5.143 -14.736 1.00 32.22 C ATOM 199 CG LEU A 15 18.746 -5.513 -13.756 1.00 54.13 C ATOM 200 CD1 LEU A 15 18.132 -6.007 -12.514 1.00 13.25 C ATOM 201 CD2 LEU A 15 19.703 -6.552 -14.310 1.00 33.20 C ATOM 0 H LEU A 15 18.511 -2.907 -14.355 1.00 41.44 H new ATOM 0 HA LEU A 15 18.858 -4.810 -16.468 1.00 4.51 H new ATOM 0 HB2 LEU A 15 16.849 -4.622 -14.198 1.00 32.22 H new ATOM 0 HB3 LEU A 15 17.204 -6.057 -15.139 1.00 32.22 H new ATOM 0 HG LEU A 15 19.337 -4.617 -13.567 1.00 54.13 H new ATOM 0 HD11 LEU A 15 18.914 -6.276 -11.803 1.00 13.25 H new ATOM 0 HD12 LEU A 15 17.503 -5.228 -12.084 1.00 13.25 H new ATOM 0 HD13 LEU A 15 17.524 -6.885 -12.733 1.00 13.25 H new ATOM 0 HD21 LEU A 15 20.468 -6.775 -13.566 1.00 33.20 H new ATOM 0 HD22 LEU A 15 19.153 -7.462 -14.549 1.00 33.20 H new ATOM 0 HD23 LEU A 15 20.176 -6.166 -15.213 1.00 33.20 H new ATOM 213 N CYS A 16 16.131 -2.964 -16.372 1.00 73.34 N ATOM 214 CA CYS A 16 15.039 -2.552 -17.210 1.00 0.31 C ATOM 215 C CYS A 16 15.569 -2.024 -18.545 1.00 33.11 C ATOM 216 O CYS A 16 14.863 -2.140 -19.589 1.00 73.40 O ATOM 217 CB CYS A 16 14.205 -1.421 -16.495 1.00 5.33 C ATOM 218 SG CYS A 16 13.410 -1.999 -14.944 1.00 5.11 S ATOM 0 H CYS A 16 16.215 -2.464 -15.487 1.00 73.34 H new ATOM 0 HA CYS A 16 14.397 -3.414 -17.393 1.00 0.31 H new ATOM 0 HB2 CYS A 16 14.860 -0.579 -16.271 1.00 5.33 H new ATOM 0 HB3 CYS A 16 13.438 -1.055 -17.177 1.00 5.33 H new ATOM 0 HG CYS A 16 14.315 -2.152 -14.024 1.00 5.11 H new ATOM 224 N ALA A 17 16.690 -1.344 -18.498 1.00 21.52 N ATOM 225 CA ALA A 17 17.238 -0.819 -19.743 1.00 22.31 C ATOM 226 C ALA A 17 17.757 -1.890 -20.666 1.00 75.23 C ATOM 227 O ALA A 17 17.478 -1.914 -21.835 1.00 30.34 O ATOM 228 CB ALA A 17 18.390 0.180 -19.367 1.00 1.31 C ATOM 0 H ALA A 17 17.227 -1.143 -17.655 1.00 21.52 H new ATOM 0 HA ALA A 17 16.437 -0.323 -20.291 1.00 22.31 H new ATOM 0 HB1 ALA A 17 18.824 0.594 -20.277 1.00 1.31 H new ATOM 0 HB2 ALA A 17 17.986 0.989 -18.758 1.00 1.31 H new ATOM 0 HB3 ALA A 17 19.160 -0.348 -18.805 1.00 1.31 H new ATOM 234 N LEU A 18 18.412 -2.805 -20.040 1.00 54.23 N ATOM 235 CA LEU A 18 19.002 -3.924 -20.681 1.00 5.30 C ATOM 236 C LEU A 18 17.927 -4.835 -21.338 1.00 62.22 C ATOM 237 O LEU A 18 18.088 -5.294 -22.480 1.00 22.11 O ATOM 238 CB LEU A 18 19.757 -4.782 -19.644 1.00 11.41 C ATOM 239 CG LEU A 18 21.317 -4.823 -19.726 1.00 73.02 C ATOM 240 CD1 LEU A 18 21.875 -5.081 -21.113 1.00 34.11 C ATOM 241 CD2 LEU A 18 21.927 -3.598 -19.141 1.00 12.23 C ATOM 0 H LEU A 18 18.556 -2.792 -19.030 1.00 54.23 H new ATOM 0 HA LEU A 18 19.676 -3.539 -21.446 1.00 5.30 H new ATOM 0 HB2 LEU A 18 19.484 -4.424 -18.651 1.00 11.41 H new ATOM 0 HB3 LEU A 18 19.391 -5.805 -19.726 1.00 11.41 H new ATOM 0 HG LEU A 18 21.598 -5.690 -19.128 1.00 73.02 H new ATOM 0 HD11 LEU A 18 22.964 -5.092 -21.071 1.00 34.11 H new ATOM 0 HD12 LEU A 18 21.516 -6.044 -21.476 1.00 34.11 H new ATOM 0 HD13 LEU A 18 21.546 -4.293 -21.790 1.00 34.11 H new ATOM 0 HD21 LEU A 18 23.013 -3.661 -19.215 1.00 12.23 H new ATOM 0 HD22 LEU A 18 21.576 -2.721 -19.686 1.00 12.23 H new ATOM 0 HD23 LEU A 18 21.639 -3.513 -18.093 1.00 12.23 H new ATOM 253 N TYR A 19 16.766 -4.960 -20.699 1.00 74.14 N ATOM 254 CA TYR A 19 15.632 -5.688 -21.266 1.00 3.21 C ATOM 255 C TYR A 19 15.135 -4.948 -22.506 1.00 3.30 C ATOM 256 O TYR A 19 14.940 -5.552 -23.562 1.00 34.32 O ATOM 257 CB TYR A 19 14.488 -5.758 -20.240 1.00 63.54 C ATOM 258 CG TYR A 19 14.572 -6.840 -19.166 1.00 4.32 C ATOM 259 CD1 TYR A 19 15.800 -7.235 -18.588 1.00 74.43 C ATOM 260 CD2 TYR A 19 13.393 -7.464 -18.697 1.00 12.54 C ATOM 261 CE1 TYR A 19 15.837 -8.218 -17.562 1.00 61.44 C ATOM 262 CE2 TYR A 19 13.437 -8.458 -17.679 1.00 53.43 C ATOM 263 CZ TYR A 19 14.660 -8.825 -17.122 1.00 1.13 C ATOM 264 OH TYR A 19 14.694 -9.784 -16.141 1.00 4.32 O ATOM 0 H TYR A 19 16.585 -4.562 -19.778 1.00 74.14 H new ATOM 0 HA TYR A 19 15.948 -6.698 -21.528 1.00 3.21 H new ATOM 0 HB2 TYR A 19 14.424 -4.792 -19.740 1.00 63.54 H new ATOM 0 HB3 TYR A 19 13.555 -5.897 -20.785 1.00 63.54 H new ATOM 0 HD1 TYR A 19 16.720 -6.785 -18.930 1.00 74.43 H new ATOM 0 HD2 TYR A 19 12.440 -7.181 -19.119 1.00 12.54 H new ATOM 0 HE1 TYR A 19 16.782 -8.497 -17.120 1.00 61.44 H new ATOM 0 HE2 TYR A 19 12.525 -8.926 -17.339 1.00 53.43 H new ATOM 0 HH TYR A 19 13.834 -10.253 -16.112 1.00 4.32 H new ATOM 274 N ALA A 20 14.929 -3.641 -22.378 1.00 31.52 N ATOM 275 CA ALA A 20 14.397 -2.841 -23.484 1.00 31.22 C ATOM 276 C ALA A 20 15.326 -2.829 -24.686 1.00 2.24 C ATOM 277 O ALA A 20 14.862 -2.880 -25.815 1.00 33.54 O ATOM 278 CB ALA A 20 14.131 -1.395 -22.996 1.00 53.13 C ATOM 0 H ALA A 20 15.120 -3.113 -21.527 1.00 31.52 H new ATOM 0 HA ALA A 20 13.463 -3.301 -23.808 1.00 31.22 H new ATOM 0 HB1 ALA A 20 13.735 -0.800 -23.819 1.00 53.13 H new ATOM 0 HB2 ALA A 20 13.407 -1.413 -22.181 1.00 53.13 H new ATOM 0 HB3 ALA A 20 15.063 -0.953 -22.644 1.00 53.13 H new ATOM 284 N GLU A 21 16.628 -2.788 -24.457 1.00 24.03 N ATOM 285 CA GLU A 21 17.598 -2.778 -25.556 1.00 54.44 C ATOM 286 C GLU A 21 17.554 -4.082 -26.355 1.00 44.14 C ATOM 287 O GLU A 21 17.763 -4.086 -27.564 1.00 10.34 O ATOM 288 CB GLU A 21 19.021 -2.599 -25.015 1.00 70.02 C ATOM 289 CG GLU A 21 19.364 -1.194 -24.518 1.00 12.15 C ATOM 290 CD GLU A 21 20.765 -1.129 -23.929 1.00 42.21 C ATOM 291 OE1 GLU A 21 21.617 -1.986 -24.293 1.00 32.53 O ATOM 292 OE2 GLU A 21 21.027 -0.237 -23.096 1.00 63.10 O ATOM 0 H GLU A 21 17.043 -2.761 -23.526 1.00 24.03 H new ATOM 0 HA GLU A 21 17.331 -1.945 -26.207 1.00 54.44 H new ATOM 0 HB2 GLU A 21 19.171 -3.302 -24.196 1.00 70.02 H new ATOM 0 HB3 GLU A 21 19.726 -2.870 -25.800 1.00 70.02 H new ATOM 0 HG2 GLU A 21 19.284 -0.487 -25.344 1.00 12.15 H new ATOM 0 HG3 GLU A 21 18.638 -0.888 -23.764 1.00 12.15 H new ATOM 299 N ILE A 22 17.318 -5.194 -25.672 1.00 31.14 N ATOM 300 CA ILE A 22 17.308 -6.506 -26.332 1.00 14.15 C ATOM 301 C ILE A 22 15.987 -6.749 -27.051 1.00 20.11 C ATOM 302 O ILE A 22 15.981 -7.267 -28.169 1.00 1.03 O ATOM 303 CB ILE A 22 17.587 -7.641 -25.297 1.00 33.31 C ATOM 304 CG1 ILE A 22 19.051 -7.522 -24.818 1.00 34.10 C ATOM 305 CG2 ILE A 22 17.348 -9.060 -25.924 1.00 33.12 C ATOM 306 CD1 ILE A 22 19.405 -8.410 -23.647 1.00 24.31 C ATOM 0 H ILE A 22 17.132 -5.222 -24.670 1.00 31.14 H new ATOM 0 HA ILE A 22 18.102 -6.514 -27.078 1.00 14.15 H new ATOM 0 HB ILE A 22 16.900 -7.530 -24.458 1.00 33.31 H new ATOM 0 HG12 ILE A 22 19.712 -7.761 -25.651 1.00 34.10 H new ATOM 0 HG13 ILE A 22 19.246 -6.485 -24.543 1.00 34.10 H new ATOM 0 HG21 ILE A 22 17.551 -9.827 -25.177 1.00 33.12 H new ATOM 0 HG22 ILE A 22 16.313 -9.142 -26.256 1.00 33.12 H new ATOM 0 HG23 ILE A 22 18.014 -9.198 -26.776 1.00 33.12 H new ATOM 0 HD11 ILE A 22 20.451 -8.260 -23.380 1.00 24.31 H new ATOM 0 HD12 ILE A 22 18.773 -8.158 -22.795 1.00 24.31 H new ATOM 0 HD13 ILE A 22 19.247 -9.453 -23.920 1.00 24.31 H new ATOM 318 N LEU A 23 14.873 -6.388 -26.434 1.00 51.44 N ATOM 319 CA LEU A 23 13.564 -6.611 -27.052 1.00 23.43 C ATOM 320 C LEU A 23 13.199 -5.524 -28.051 1.00 42.31 C ATOM 321 O LEU A 23 12.319 -5.715 -28.892 1.00 12.41 O ATOM 322 CB LEU A 23 12.477 -6.693 -25.972 1.00 12.25 C ATOM 323 CG LEU A 23 12.277 -8.006 -25.185 1.00 15.01 C ATOM 324 CD1 LEU A 23 12.078 -9.205 -26.120 1.00 14.02 C ATOM 325 CD2 LEU A 23 13.370 -8.317 -24.177 1.00 72.40 C ATOM 0 H LEU A 23 14.842 -5.944 -25.516 1.00 51.44 H new ATOM 0 HA LEU A 23 13.627 -7.554 -27.595 1.00 23.43 H new ATOM 0 HB2 LEU A 23 12.680 -5.906 -25.246 1.00 12.25 H new ATOM 0 HB3 LEU A 23 11.527 -6.451 -26.448 1.00 12.25 H new ATOM 0 HG LEU A 23 11.368 -7.834 -24.609 1.00 15.01 H new ATOM 0 HD11 LEU A 23 11.941 -10.110 -25.528 1.00 14.02 H new ATOM 0 HD12 LEU A 23 11.197 -9.040 -26.740 1.00 14.02 H new ATOM 0 HD13 LEU A 23 12.955 -9.319 -26.758 1.00 14.02 H new ATOM 0 HD21 LEU A 23 13.144 -9.257 -23.673 1.00 72.40 H new ATOM 0 HD22 LEU A 23 14.327 -8.403 -24.692 1.00 72.40 H new ATOM 0 HD23 LEU A 23 13.425 -7.515 -23.441 1.00 72.40 H new ATOM 337 N GLY A 24 13.859 -4.380 -27.972 1.00 54.41 N ATOM 338 CA GLY A 24 13.549 -3.271 -28.856 1.00 74.30 C ATOM 339 C GLY A 24 12.299 -2.520 -28.508 1.00 61.53 C ATOM 340 O GLY A 24 11.584 -2.043 -29.401 1.00 63.13 O ATOM 0 H GLY A 24 14.610 -4.196 -27.307 1.00 54.41 H new ATOM 0 HA2 GLY A 24 14.388 -2.575 -28.850 1.00 74.30 H new ATOM 0 HA3 GLY A 24 13.457 -3.651 -29.874 1.00 74.30 H new ATOM 344 N VAL A 25 11.997 -2.433 -27.217 1.00 2.24 N ATOM 345 CA VAL A 25 10.736 -1.809 -26.749 1.00 11.15 C ATOM 346 C VAL A 25 10.948 -0.433 -26.209 1.00 3.44 C ATOM 347 O VAL A 25 12.039 -0.022 -25.748 1.00 54.43 O ATOM 348 CB VAL A 25 10.016 -2.642 -25.699 1.00 3.40 C ATOM 349 CG1 VAL A 25 9.610 -3.959 -26.259 1.00 2.34 C ATOM 350 CG2 VAL A 25 10.863 -2.879 -24.453 1.00 54.30 C ATOM 0 H VAL A 25 12.596 -2.781 -26.469 1.00 2.24 H new ATOM 0 HA VAL A 25 10.109 -1.752 -27.639 1.00 11.15 H new ATOM 0 HB VAL A 25 9.136 -2.068 -25.408 1.00 3.40 H new ATOM 0 HG11 VAL A 25 9.097 -4.538 -25.491 1.00 2.34 H new ATOM 0 HG12 VAL A 25 8.940 -3.804 -27.105 1.00 2.34 H new ATOM 0 HG13 VAL A 25 10.495 -4.501 -26.592 1.00 2.34 H new ATOM 0 HG21 VAL A 25 10.299 -3.479 -23.738 1.00 54.30 H new ATOM 0 HG22 VAL A 25 11.776 -3.407 -24.729 1.00 54.30 H new ATOM 0 HG23 VAL A 25 11.120 -1.921 -24.000 1.00 54.30 H new ATOM 360 N GLU A 26 9.843 0.264 -26.100 1.00 20.04 N ATOM 361 CA GLU A 26 9.783 1.635 -25.606 1.00 33.22 C ATOM 362 C GLU A 26 9.705 1.652 -24.069 1.00 32.23 C ATOM 363 O GLU A 26 9.981 2.673 -23.451 1.00 0.42 O ATOM 364 CB GLU A 26 8.519 2.265 -26.231 1.00 61.54 C ATOM 365 CG GLU A 26 7.202 1.902 -25.552 1.00 64.11 C ATOM 366 CD GLU A 26 6.003 2.595 -26.180 1.00 65.22 C ATOM 367 OE1 GLU A 26 5.807 3.794 -25.875 1.00 3.53 O ATOM 368 OE2 GLU A 26 5.261 1.966 -26.961 1.00 43.35 O ATOM 0 H GLU A 26 8.930 -0.110 -26.358 1.00 20.04 H new ATOM 0 HA GLU A 26 10.676 2.197 -25.881 1.00 33.22 H new ATOM 0 HB2 GLU A 26 8.629 3.349 -26.216 1.00 61.54 H new ATOM 0 HB3 GLU A 26 8.464 1.965 -27.277 1.00 61.54 H new ATOM 0 HG2 GLU A 26 7.059 0.823 -25.602 1.00 64.11 H new ATOM 0 HG3 GLU A 26 7.258 2.168 -24.496 1.00 64.11 H new ATOM 375 N ARG A 27 9.295 0.535 -23.478 1.00 5.42 N ATOM 376 CA ARG A 27 9.058 0.476 -22.031 1.00 25.33 C ATOM 377 C ARG A 27 9.216 -0.924 -21.502 1.00 32.50 C ATOM 378 O ARG A 27 8.708 -1.866 -22.084 1.00 44.23 O ATOM 379 CB ARG A 27 7.622 0.957 -21.753 1.00 33.14 C ATOM 380 CG ARG A 27 7.131 0.763 -20.315 1.00 44.35 C ATOM 381 CD ARG A 27 5.679 1.159 -20.174 1.00 1.53 C ATOM 382 NE ARG A 27 5.126 0.662 -18.899 1.00 61.05 N ATOM 383 CZ ARG A 27 3.872 0.836 -18.493 1.00 55.44 C ATOM 384 NH1 ARG A 27 2.984 1.503 -19.204 1.00 13.12 N ATOM 385 NH2 ARG A 27 3.491 0.328 -17.352 1.00 25.22 N ATOM 0 H ARG A 27 9.119 -0.340 -23.971 1.00 5.42 H new ATOM 0 HA ARG A 27 9.790 1.111 -21.532 1.00 25.33 H new ATOM 0 HB2 ARG A 27 7.557 2.016 -22.001 1.00 33.14 H new ATOM 0 HB3 ARG A 27 6.944 0.430 -22.425 1.00 33.14 H new ATOM 0 HG2 ARG A 27 7.256 -0.280 -20.023 1.00 44.35 H new ATOM 0 HG3 ARG A 27 7.741 1.359 -19.636 1.00 44.35 H new ATOM 0 HD2 ARG A 27 5.587 2.244 -20.218 1.00 1.53 H new ATOM 0 HD3 ARG A 27 5.104 0.756 -21.008 1.00 1.53 H new ATOM 0 HE ARG A 27 5.754 0.146 -18.282 1.00 61.05 H new ATOM 0 HH11 ARG A 27 3.250 1.908 -20.102 1.00 13.12 H new ATOM 0 HH12 ARG A 27 2.031 1.614 -18.856 1.00 13.12 H new ATOM 0 HH21 ARG A 27 4.153 -0.197 -16.781 1.00 25.22 H new ATOM 0 HH22 ARG A 27 2.531 0.456 -17.032 1.00 25.22 H new ATOM 399 N VAL A 28 9.834 -1.019 -20.338 1.00 50.44 N ATOM 400 CA VAL A 28 9.869 -2.244 -19.559 1.00 63.10 C ATOM 401 C VAL A 28 9.494 -1.831 -18.142 1.00 21.21 C ATOM 402 O VAL A 28 10.079 -0.900 -17.577 1.00 50.04 O ATOM 403 CB VAL A 28 11.274 -2.912 -19.589 1.00 11.43 C ATOM 404 CG1 VAL A 28 11.345 -4.102 -18.638 1.00 65.11 C ATOM 405 CG2 VAL A 28 11.585 -3.379 -20.992 1.00 42.01 C ATOM 0 H VAL A 28 10.330 -0.241 -19.903 1.00 50.44 H new ATOM 0 HA VAL A 28 9.183 -2.987 -19.965 1.00 63.10 H new ATOM 0 HB VAL A 28 12.005 -2.170 -19.268 1.00 11.43 H new ATOM 0 HG11 VAL A 28 12.340 -4.545 -18.684 1.00 65.11 H new ATOM 0 HG12 VAL A 28 11.143 -3.767 -17.621 1.00 65.11 H new ATOM 0 HG13 VAL A 28 10.603 -4.845 -18.929 1.00 65.11 H new ATOM 0 HG21 VAL A 28 12.570 -3.846 -21.010 1.00 42.01 H new ATOM 0 HG22 VAL A 28 10.834 -4.102 -21.310 1.00 42.01 H new ATOM 0 HG23 VAL A 28 11.576 -2.526 -21.670 1.00 42.01 H new ATOM 415 N GLY A 29 8.481 -2.475 -17.590 1.00 65.15 N ATOM 416 CA GLY A 29 8.073 -2.239 -16.221 1.00 42.23 C ATOM 417 C GLY A 29 9.026 -2.983 -15.324 1.00 64.54 C ATOM 418 O GLY A 29 9.718 -3.906 -15.762 1.00 0.42 O ATOM 0 H GLY A 29 7.921 -3.174 -18.078 1.00 65.15 H new ATOM 0 HA2 GLY A 29 8.089 -1.173 -15.996 1.00 42.23 H new ATOM 0 HA3 GLY A 29 7.051 -2.583 -16.062 1.00 42.23 H new ATOM 422 N VAL A 30 9.092 -2.610 -14.056 1.00 53.41 N ATOM 423 CA VAL A 30 10.023 -3.256 -13.143 1.00 62.40 C ATOM 424 C VAL A 30 9.479 -4.655 -12.768 1.00 11.32 C ATOM 425 O VAL A 30 10.178 -5.505 -12.191 1.00 0.41 O ATOM 426 CB VAL A 30 10.289 -2.372 -11.891 1.00 60.32 C ATOM 427 CG1 VAL A 30 9.242 -2.602 -10.787 1.00 31.00 C ATOM 428 CG2 VAL A 30 11.694 -2.605 -11.388 1.00 2.15 C ATOM 0 H VAL A 30 8.521 -1.874 -13.639 1.00 53.41 H new ATOM 0 HA VAL A 30 10.987 -3.383 -13.636 1.00 62.40 H new ATOM 0 HB VAL A 30 10.195 -1.327 -12.185 1.00 60.32 H new ATOM 0 HG11 VAL A 30 9.468 -1.964 -9.933 1.00 31.00 H new ATOM 0 HG12 VAL A 30 8.251 -2.359 -11.169 1.00 31.00 H new ATOM 0 HG13 VAL A 30 9.265 -3.646 -10.476 1.00 31.00 H new ATOM 0 HG21 VAL A 30 11.874 -1.983 -10.511 1.00 2.15 H new ATOM 0 HG22 VAL A 30 11.815 -3.655 -11.120 1.00 2.15 H new ATOM 0 HG23 VAL A 30 12.408 -2.346 -12.170 1.00 2.15 H new ATOM 438 N ASP A 31 8.234 -4.851 -13.138 1.00 43.53 N ATOM 439 CA ASP A 31 7.448 -6.032 -12.865 1.00 75.05 C ATOM 440 C ASP A 31 7.152 -6.824 -14.146 1.00 11.22 C ATOM 441 O ASP A 31 6.467 -7.827 -14.118 1.00 44.44 O ATOM 442 CB ASP A 31 6.142 -5.601 -12.180 1.00 21.22 C ATOM 443 CG ASP A 31 5.350 -4.531 -12.974 1.00 73.10 C ATOM 444 OD1 ASP A 31 5.942 -3.479 -13.366 1.00 14.33 O ATOM 445 OD2 ASP A 31 4.118 -4.687 -13.090 1.00 33.52 O ATOM 0 H ASP A 31 7.714 -4.151 -13.667 1.00 43.53 H new ATOM 0 HA ASP A 31 8.014 -6.693 -12.209 1.00 75.05 H new ATOM 0 HB2 ASP A 31 5.510 -6.477 -12.037 1.00 21.22 H new ATOM 0 HB3 ASP A 31 6.373 -5.210 -11.189 1.00 21.22 H new ATOM 450 N ASP A 32 7.687 -6.355 -15.272 1.00 13.15 N ATOM 451 CA ASP A 32 7.517 -7.045 -16.552 1.00 42.14 C ATOM 452 C ASP A 32 8.437 -8.226 -16.549 1.00 54.35 C ATOM 453 O ASP A 32 9.639 -8.086 -16.309 1.00 73.24 O ATOM 454 CB ASP A 32 7.904 -6.164 -17.763 1.00 62.55 C ATOM 455 CG ASP A 32 6.896 -5.085 -18.066 1.00 12.10 C ATOM 456 OD1 ASP A 32 5.992 -4.824 -17.250 1.00 63.14 O ATOM 457 OD2 ASP A 32 7.096 -4.382 -19.083 1.00 51.14 O ATOM 0 H ASP A 32 8.242 -5.501 -15.325 1.00 13.15 H new ATOM 0 HA ASP A 32 6.466 -7.315 -16.652 1.00 42.14 H new ATOM 0 HB2 ASP A 32 8.873 -5.702 -17.572 1.00 62.55 H new ATOM 0 HB3 ASP A 32 8.021 -6.798 -18.642 1.00 62.55 H new ATOM 462 N ALA A 33 7.893 -9.403 -16.798 1.00 5.11 N ATOM 463 CA ALA A 33 8.734 -10.564 -16.869 1.00 30.35 C ATOM 464 C ALA A 33 9.398 -10.542 -18.244 1.00 15.12 C ATOM 465 O ALA A 33 8.787 -10.128 -19.218 1.00 41.01 O ATOM 466 CB ALA A 33 7.878 -11.826 -16.687 1.00 63.51 C ATOM 0 H ALA A 33 6.898 -9.570 -16.950 1.00 5.11 H new ATOM 0 HA ALA A 33 9.492 -10.566 -16.086 1.00 30.35 H new ATOM 0 HB1 ALA A 33 8.515 -12.709 -16.741 1.00 63.51 H new ATOM 0 HB2 ALA A 33 7.384 -11.794 -15.716 1.00 63.51 H new ATOM 0 HB3 ALA A 33 7.126 -11.873 -17.475 1.00 63.51 H new ATOM 472 N PHE A 34 10.629 -11.019 -18.329 1.00 4.25 N ATOM 473 CA PHE A 34 11.352 -11.055 -19.601 1.00 62.13 C ATOM 474 C PHE A 34 10.541 -11.809 -20.660 1.00 0.21 C ATOM 475 O PHE A 34 10.539 -11.448 -21.825 1.00 22.34 O ATOM 476 CB PHE A 34 12.716 -11.716 -19.398 1.00 32.53 C ATOM 477 CG PHE A 34 13.635 -11.594 -20.584 1.00 71.55 C ATOM 478 CD1 PHE A 34 14.392 -10.424 -20.780 1.00 71.11 C ATOM 479 CD2 PHE A 34 13.765 -12.658 -21.504 1.00 31.12 C ATOM 480 CE1 PHE A 34 15.278 -10.304 -21.878 1.00 23.13 C ATOM 481 CE2 PHE A 34 14.647 -12.545 -22.604 1.00 31.31 C ATOM 482 CZ PHE A 34 15.409 -11.362 -22.796 1.00 41.23 C ATOM 0 H PHE A 34 11.153 -11.388 -17.536 1.00 4.25 H new ATOM 0 HA PHE A 34 11.501 -10.034 -19.953 1.00 62.13 H new ATOM 0 HB2 PHE A 34 13.199 -11.270 -18.529 1.00 32.53 H new ATOM 0 HB3 PHE A 34 12.567 -12.772 -19.173 1.00 32.53 H new ATOM 0 HD1 PHE A 34 14.296 -9.605 -20.082 1.00 71.11 H new ATOM 0 HD2 PHE A 34 13.189 -13.561 -21.367 1.00 31.12 H new ATOM 0 HE1 PHE A 34 15.854 -9.400 -22.011 1.00 23.13 H new ATOM 0 HE2 PHE A 34 14.742 -13.363 -23.302 1.00 31.31 H new ATOM 0 HZ PHE A 34 16.081 -11.276 -23.637 1.00 41.23 H new ATOM 492 N HIS A 35 9.824 -12.836 -20.229 1.00 72.43 N ATOM 493 CA HIS A 35 8.998 -13.633 -21.125 1.00 20.25 C ATOM 494 C HIS A 35 7.685 -12.947 -21.534 1.00 33.10 C ATOM 495 O HIS A 35 7.111 -13.289 -22.555 1.00 23.11 O ATOM 496 CB HIS A 35 8.663 -14.960 -20.453 1.00 1.40 C ATOM 497 CG HIS A 35 9.868 -15.758 -20.068 1.00 63.24 C ATOM 498 ND1 HIS A 35 10.121 -16.226 -18.806 1.00 64.34 N ATOM 499 CD2 HIS A 35 10.924 -16.178 -20.815 1.00 42.25 C ATOM 500 CE1 HIS A 35 11.276 -16.882 -18.823 1.00 24.41 C ATOM 501 NE2 HIS A 35 11.816 -16.885 -20.024 1.00 20.53 N ATOM 0 H HIS A 35 9.798 -13.139 -19.255 1.00 72.43 H new ATOM 0 HA HIS A 35 9.582 -13.775 -22.035 1.00 20.25 H new ATOM 0 HB2 HIS A 35 8.066 -14.766 -19.562 1.00 1.40 H new ATOM 0 HB3 HIS A 35 8.045 -15.553 -21.127 1.00 1.40 H new ATOM 0 HD2 HIS A 35 11.049 -15.988 -21.871 1.00 42.25 H new ATOM 0 HE1 HIS A 35 11.718 -17.355 -17.958 1.00 24.41 H new ATOM 0 HE2 HIS A 35 12.697 -17.313 -20.309 1.00 20.53 H new ATOM 509 N ASP A 36 7.217 -11.990 -20.738 1.00 70.22 N ATOM 510 CA ASP A 36 5.949 -11.296 -21.020 1.00 51.33 C ATOM 511 C ASP A 36 6.186 -10.325 -22.172 1.00 64.24 C ATOM 512 O ASP A 36 5.309 -10.064 -22.990 1.00 74.30 O ATOM 513 CB ASP A 36 5.474 -10.536 -19.781 1.00 62.13 C ATOM 514 CG ASP A 36 4.008 -10.170 -19.851 1.00 62.31 C ATOM 515 OD1 ASP A 36 3.203 -11.031 -20.272 1.00 5.13 O ATOM 516 OD2 ASP A 36 3.648 -9.076 -19.381 1.00 11.42 O ATOM 0 H ASP A 36 7.690 -11.673 -19.892 1.00 70.22 H new ATOM 0 HA ASP A 36 5.179 -12.019 -21.289 1.00 51.33 H new ATOM 0 HB2 ASP A 36 5.651 -11.146 -18.895 1.00 62.13 H new ATOM 0 HB3 ASP A 36 6.066 -9.628 -19.667 1.00 62.13 H new ATOM 521 N LEU A 37 7.428 -9.877 -22.277 1.00 13.24 N ATOM 522 CA LEU A 37 7.879 -9.017 -23.372 1.00 51.33 C ATOM 523 C LEU A 37 8.109 -9.825 -24.667 1.00 33.44 C ATOM 524 O LEU A 37 8.667 -9.311 -25.630 1.00 64.52 O ATOM 525 CB LEU A 37 9.201 -8.349 -22.987 1.00 32.55 C ATOM 526 CG LEU A 37 9.242 -7.472 -21.727 1.00 25.43 C ATOM 527 CD1 LEU A 37 10.698 -7.249 -21.316 1.00 62.05 C ATOM 528 CD2 LEU A 37 8.583 -6.132 -21.989 1.00 52.04 C ATOM 0 H LEU A 37 8.160 -10.099 -21.602 1.00 13.24 H new ATOM 0 HA LEU A 37 7.102 -8.273 -23.549 1.00 51.33 H new ATOM 0 HB2 LEU A 37 9.947 -9.135 -22.868 1.00 32.55 H new ATOM 0 HB3 LEU A 37 9.519 -7.734 -23.829 1.00 32.55 H new ATOM 0 HG LEU A 37 8.701 -7.978 -20.928 1.00 25.43 H new ATOM 0 HD11 LEU A 37 10.732 -6.627 -20.422 1.00 62.05 H new ATOM 0 HD12 LEU A 37 11.169 -8.210 -21.108 1.00 62.05 H new ATOM 0 HD13 LEU A 37 11.232 -6.751 -22.125 1.00 62.05 H new ATOM 0 HD21 LEU A 37 8.622 -5.525 -21.085 1.00 52.04 H new ATOM 0 HD22 LEU A 37 9.109 -5.619 -22.794 1.00 52.04 H new ATOM 0 HD23 LEU A 37 7.543 -6.288 -22.277 1.00 52.04 H new ATOM 540 N GLY A 38 7.743 -11.102 -24.659 1.00 33.31 N ATOM 541 CA GLY A 38 7.960 -11.964 -25.811 1.00 63.11 C ATOM 542 C GLY A 38 9.339 -12.607 -25.783 1.00 34.35 C ATOM 543 O GLY A 38 9.779 -13.255 -26.744 1.00 54.05 O ATOM 0 H GLY A 38 7.295 -11.562 -23.866 1.00 33.31 H new ATOM 0 HA2 GLY A 38 7.197 -12.742 -25.832 1.00 63.11 H new ATOM 0 HA3 GLY A 38 7.848 -11.383 -26.726 1.00 63.11 H new ATOM 547 N GLY A 39 10.044 -12.416 -24.676 1.00 31.14 N ATOM 548 CA GLY A 39 11.398 -12.934 -24.554 1.00 50.21 C ATOM 549 C GLY A 39 11.454 -14.435 -24.399 1.00 4.34 C ATOM 550 O GLY A 39 10.482 -15.091 -24.063 1.00 12.11 O ATOM 0 H GLY A 39 9.704 -11.911 -23.857 1.00 31.14 H new ATOM 0 HA2 GLY A 39 11.970 -12.646 -25.436 1.00 50.21 H new ATOM 0 HA3 GLY A 39 11.881 -12.469 -23.694 1.00 50.21 H new ATOM 554 N SER A 40 12.617 -15.007 -24.694 1.00 35.10 N ATOM 555 CA SER A 40 12.788 -16.464 -24.697 1.00 14.23 C ATOM 556 C SER A 40 13.976 -16.805 -23.855 1.00 12.43 C ATOM 557 O SER A 40 14.772 -15.915 -23.541 1.00 31.50 O ATOM 558 CB SER A 40 12.931 -16.926 -26.155 1.00 5.43 C ATOM 559 OG SER A 40 12.553 -18.242 -26.304 1.00 4.30 O ATOM 0 H SER A 40 13.460 -14.486 -24.935 1.00 35.10 H new ATOM 0 HA SER A 40 11.929 -16.981 -24.269 1.00 14.23 H new ATOM 0 HB2 SER A 40 12.320 -16.295 -26.800 1.00 5.43 H new ATOM 0 HB3 SER A 40 13.965 -16.804 -26.477 1.00 5.43 H new ATOM 0 HG SER A 40 12.653 -18.507 -27.242 1.00 4.30 H new ATOM 565 N SER A 41 14.153 -18.080 -23.578 1.00 72.34 N ATOM 566 CA SER A 41 15.363 -18.567 -22.915 1.00 30.55 C ATOM 567 C SER A 41 16.585 -18.277 -23.807 1.00 30.12 C ATOM 568 O SER A 41 17.686 -18.007 -23.331 1.00 54.24 O ATOM 569 CB SER A 41 15.272 -20.070 -22.630 1.00 12.33 C ATOM 570 OG SER A 41 14.090 -20.377 -21.925 1.00 53.32 O ATOM 0 H SER A 41 13.474 -18.808 -23.800 1.00 72.34 H new ATOM 0 HA SER A 41 15.468 -18.049 -21.962 1.00 30.55 H new ATOM 0 HB2 SER A 41 15.295 -20.624 -23.568 1.00 12.33 H new ATOM 0 HB3 SER A 41 16.139 -20.388 -22.051 1.00 12.33 H new ATOM 0 HG SER A 41 14.052 -21.341 -21.755 1.00 53.32 H new ATOM 576 N ALA A 42 16.371 -18.280 -25.116 1.00 71.21 N ATOM 577 CA ALA A 42 17.451 -17.966 -26.052 1.00 10.12 C ATOM 578 C ALA A 42 17.941 -16.511 -25.912 1.00 70.22 C ATOM 579 O ALA A 42 19.131 -16.276 -25.802 1.00 1.14 O ATOM 580 CB ALA A 42 17.015 -18.264 -27.495 1.00 34.45 C ATOM 0 H ALA A 42 15.474 -18.493 -25.553 1.00 71.21 H new ATOM 0 HA ALA A 42 18.296 -18.608 -25.802 1.00 10.12 H new ATOM 0 HB1 ALA A 42 17.830 -18.025 -28.178 1.00 34.45 H new ATOM 0 HB2 ALA A 42 16.762 -19.320 -27.588 1.00 34.45 H new ATOM 0 HB3 ALA A 42 16.143 -17.659 -27.744 1.00 34.45 H new ATOM 586 N LEU A 43 17.001 -15.575 -25.857 1.00 42.32 N ATOM 587 CA LEU A 43 17.316 -14.166 -25.676 1.00 55.43 C ATOM 588 C LEU A 43 17.793 -13.941 -24.240 1.00 34.41 C ATOM 589 O LEU A 43 18.626 -13.113 -24.010 1.00 54.45 O ATOM 590 CB LEU A 43 16.111 -13.272 -25.997 1.00 42.05 C ATOM 591 CG LEU A 43 15.768 -12.970 -27.466 1.00 72.30 C ATOM 592 CD1 LEU A 43 15.273 -14.179 -28.238 1.00 63.53 C ATOM 593 CD2 LEU A 43 14.708 -11.869 -27.512 1.00 52.40 C ATOM 0 H LEU A 43 16.003 -15.772 -25.936 1.00 42.32 H new ATOM 0 HA LEU A 43 18.109 -13.892 -26.372 1.00 55.43 H new ATOM 0 HB2 LEU A 43 15.233 -13.731 -25.543 1.00 42.05 H new ATOM 0 HB3 LEU A 43 16.268 -12.318 -25.494 1.00 42.05 H new ATOM 0 HG LEU A 43 16.692 -12.653 -27.949 1.00 72.30 H new ATOM 0 HD11 LEU A 43 15.051 -13.889 -29.265 1.00 63.53 H new ATOM 0 HD12 LEU A 43 16.042 -14.951 -28.237 1.00 63.53 H new ATOM 0 HD13 LEU A 43 14.369 -14.566 -27.767 1.00 63.53 H new ATOM 0 HD21 LEU A 43 14.458 -11.648 -28.550 1.00 52.40 H new ATOM 0 HD22 LEU A 43 13.813 -12.203 -26.987 1.00 52.40 H new ATOM 0 HD23 LEU A 43 15.096 -10.970 -27.033 1.00 52.40 H new ATOM 605 N ALA A 44 17.304 -14.760 -23.300 1.00 51.22 N ATOM 606 CA ALA A 44 17.673 -14.611 -21.882 1.00 64.35 C ATOM 607 C ALA A 44 19.142 -14.961 -21.695 1.00 22.44 C ATOM 608 O ALA A 44 19.767 -14.386 -20.875 1.00 45.33 O ATOM 609 CB ALA A 44 16.794 -15.510 -21.055 1.00 0.21 C ATOM 0 H ALA A 44 16.658 -15.526 -23.490 1.00 51.22 H new ATOM 0 HA ALA A 44 17.528 -13.580 -21.560 1.00 64.35 H new ATOM 0 HB1 ALA A 44 17.058 -15.409 -20.002 1.00 0.21 H new ATOM 0 HB2 ALA A 44 15.750 -15.229 -21.196 1.00 0.21 H new ATOM 0 HB3 ALA A 44 16.936 -16.545 -21.367 1.00 0.21 H new ATOM 615 N MET A 45 19.681 -15.898 -22.474 1.00 64.13 N ATOM 616 CA MET A 45 21.108 -16.197 -22.378 1.00 60.31 C ATOM 617 C MET A 45 21.892 -14.979 -22.871 1.00 3.52 C ATOM 618 O MET A 45 22.942 -14.660 -22.336 1.00 62.23 O ATOM 619 CB MET A 45 21.446 -17.426 -23.229 1.00 12.25 C ATOM 620 CG MET A 45 20.935 -18.732 -22.654 1.00 63.02 C ATOM 621 SD MET A 45 21.584 -20.156 -23.547 1.00 34.43 S ATOM 622 CE MET A 45 20.694 -20.053 -25.122 1.00 25.31 C ATOM 0 H MET A 45 19.167 -16.450 -23.161 1.00 64.13 H new ATOM 0 HA MET A 45 21.375 -16.415 -21.344 1.00 60.31 H new ATOM 0 HB2 MET A 45 21.027 -17.291 -24.226 1.00 12.25 H new ATOM 0 HB3 MET A 45 22.528 -17.490 -23.344 1.00 12.25 H new ATOM 0 HG2 MET A 45 21.218 -18.802 -21.604 1.00 63.02 H new ATOM 0 HG3 MET A 45 19.846 -18.745 -22.692 1.00 63.02 H new ATOM 0 HE1 MET A 45 21.065 -20.821 -25.801 1.00 25.31 H new ATOM 0 HE2 MET A 45 19.629 -20.206 -24.949 1.00 25.31 H new ATOM 0 HE3 MET A 45 20.852 -19.070 -25.566 1.00 25.31 H new ATOM 632 N ARG A 46 21.374 -14.268 -23.868 1.00 52.20 N ATOM 633 CA ARG A 46 22.062 -13.062 -24.368 1.00 44.41 C ATOM 634 C ARG A 46 21.990 -11.962 -23.326 1.00 75.24 C ATOM 635 O ARG A 46 22.925 -11.185 -23.179 1.00 61.24 O ATOM 636 CB ARG A 46 21.457 -12.560 -25.689 1.00 10.54 C ATOM 637 CG ARG A 46 21.831 -13.415 -26.909 1.00 74.44 C ATOM 638 CD ARG A 46 23.267 -13.145 -27.368 1.00 55.21 C ATOM 639 NE ARG A 46 23.409 -11.781 -27.913 1.00 23.33 N ATOM 640 CZ ARG A 46 24.562 -11.172 -28.171 1.00 21.00 C ATOM 641 NH1 ARG A 46 25.718 -11.742 -27.947 1.00 30.52 N ATOM 642 NH2 ARG A 46 24.541 -9.966 -28.657 1.00 43.13 N ATOM 0 H ARG A 46 20.500 -14.492 -24.343 1.00 52.20 H new ATOM 0 HA ARG A 46 23.101 -13.331 -24.559 1.00 44.41 H new ATOM 0 HB2 ARG A 46 20.371 -12.535 -25.594 1.00 10.54 H new ATOM 0 HB3 ARG A 46 21.785 -11.535 -25.861 1.00 10.54 H new ATOM 0 HG2 ARG A 46 21.720 -14.471 -26.662 1.00 74.44 H new ATOM 0 HG3 ARG A 46 21.141 -13.205 -27.727 1.00 74.44 H new ATOM 0 HD2 ARG A 46 23.950 -13.276 -26.529 1.00 55.21 H new ATOM 0 HD3 ARG A 46 23.551 -13.874 -28.127 1.00 55.21 H new ATOM 0 HE ARG A 46 22.552 -11.263 -28.108 1.00 23.33 H new ATOM 0 HH11 ARG A 46 25.755 -12.686 -27.562 1.00 30.52 H new ATOM 0 HH12 ARG A 46 26.582 -11.243 -28.158 1.00 30.52 H new ATOM 0 HH21 ARG A 46 23.650 -9.503 -28.834 1.00 43.13 H new ATOM 0 HH22 ARG A 46 25.416 -9.483 -28.861 1.00 43.13 H new ATOM 656 N LEU A 47 20.899 -11.933 -22.577 1.00 0.21 N ATOM 657 CA LEU A 47 20.731 -10.979 -21.489 1.00 54.31 C ATOM 658 C LEU A 47 21.824 -11.141 -20.446 1.00 10.33 C ATOM 659 O LEU A 47 22.371 -10.150 -19.991 1.00 30.03 O ATOM 660 CB LEU A 47 19.354 -11.160 -20.840 1.00 23.14 C ATOM 661 CG LEU A 47 19.041 -10.288 -19.619 1.00 73.51 C ATOM 662 CD1 LEU A 47 18.889 -8.802 -19.949 1.00 32.34 C ATOM 663 CD2 LEU A 47 17.765 -10.827 -19.002 1.00 42.34 C ATOM 0 H LEU A 47 20.109 -12.565 -22.704 1.00 0.21 H new ATOM 0 HA LEU A 47 20.804 -9.974 -21.904 1.00 54.31 H new ATOM 0 HB2 LEU A 47 18.594 -10.967 -21.598 1.00 23.14 H new ATOM 0 HB3 LEU A 47 19.253 -12.205 -20.545 1.00 23.14 H new ATOM 0 HG LEU A 47 19.882 -10.342 -18.928 1.00 73.51 H new ATOM 0 HD11 LEU A 47 18.668 -8.247 -19.037 1.00 32.34 H new ATOM 0 HD12 LEU A 47 19.816 -8.429 -20.385 1.00 32.34 H new ATOM 0 HD13 LEU A 47 18.074 -8.669 -20.661 1.00 32.34 H new ATOM 0 HD21 LEU A 47 17.505 -10.233 -18.126 1.00 42.34 H new ATOM 0 HD22 LEU A 47 16.957 -10.772 -19.731 1.00 42.34 H new ATOM 0 HD23 LEU A 47 17.915 -11.865 -18.705 1.00 42.34 H new ATOM 675 N ILE A 48 22.170 -12.371 -20.102 1.00 12.14 N ATOM 676 CA ILE A 48 23.201 -12.614 -19.085 1.00 74.22 C ATOM 677 C ILE A 48 24.517 -12.009 -19.555 1.00 75.14 C ATOM 678 O ILE A 48 25.189 -11.298 -18.815 1.00 71.25 O ATOM 679 CB ILE A 48 23.419 -14.139 -18.804 1.00 43.25 C ATOM 680 CG1 ILE A 48 22.079 -14.818 -18.475 1.00 44.10 C ATOM 681 CG2 ILE A 48 24.410 -14.326 -17.630 1.00 63.15 C ATOM 682 CD1 ILE A 48 22.141 -16.336 -18.236 1.00 41.10 C ATOM 0 H ILE A 48 21.761 -13.215 -20.503 1.00 12.14 H new ATOM 0 HA ILE A 48 22.861 -12.151 -18.159 1.00 74.22 H new ATOM 0 HB ILE A 48 23.836 -14.603 -19.698 1.00 43.25 H new ATOM 0 HG12 ILE A 48 21.662 -14.346 -17.586 1.00 44.10 H new ATOM 0 HG13 ILE A 48 21.385 -14.626 -19.293 1.00 44.10 H new ATOM 0 HG21 ILE A 48 24.555 -15.390 -17.442 1.00 63.15 H new ATOM 0 HG22 ILE A 48 25.366 -13.869 -17.885 1.00 63.15 H new ATOM 0 HG23 ILE A 48 24.008 -13.851 -16.735 1.00 63.15 H new ATOM 0 HD11 ILE A 48 21.142 -16.710 -18.012 1.00 41.10 H new ATOM 0 HD12 ILE A 48 22.522 -16.830 -19.130 1.00 41.10 H new ATOM 0 HD13 ILE A 48 22.803 -16.545 -17.396 1.00 41.10 H new ATOM 694 N ALA A 49 24.861 -12.272 -20.804 1.00 24.21 N ATOM 695 CA ALA A 49 26.089 -11.766 -21.386 1.00 14.25 C ATOM 696 C ALA A 49 26.112 -10.244 -21.453 1.00 24.53 C ATOM 697 O ALA A 49 27.125 -9.601 -21.153 1.00 63.13 O ATOM 698 CB ALA A 49 26.272 -12.371 -22.789 1.00 63.31 C ATOM 0 H ALA A 49 24.299 -12.839 -21.439 1.00 24.21 H new ATOM 0 HA ALA A 49 26.917 -12.064 -20.742 1.00 14.25 H new ATOM 0 HB1 ALA A 49 27.194 -11.993 -23.231 1.00 63.31 H new ATOM 0 HB2 ALA A 49 26.324 -13.457 -22.713 1.00 63.31 H new ATOM 0 HB3 ALA A 49 25.427 -12.092 -23.419 1.00 63.31 H new ATOM 704 N ARG A 50 24.985 -9.661 -21.838 1.00 41.33 N ATOM 705 CA ARG A 50 24.885 -8.198 -21.986 1.00 23.11 C ATOM 706 C ARG A 50 24.938 -7.506 -20.635 1.00 11.34 C ATOM 707 O ARG A 50 25.547 -6.465 -20.490 1.00 21.14 O ATOM 708 CB ARG A 50 23.599 -7.839 -22.717 1.00 71.22 C ATOM 709 CG ARG A 50 23.601 -8.243 -24.180 1.00 63.12 C ATOM 710 CD ARG A 50 24.143 -7.137 -25.078 1.00 61.24 C ATOM 711 NE ARG A 50 23.052 -6.270 -25.544 1.00 72.01 N ATOM 712 CZ ARG A 50 22.820 -5.021 -25.152 1.00 12.41 C ATOM 713 NH1 ARG A 50 23.561 -4.375 -24.281 1.00 63.44 N ATOM 714 NH2 ARG A 50 21.807 -4.400 -25.659 1.00 61.10 N ATOM 0 H ARG A 50 24.126 -10.167 -22.055 1.00 41.33 H new ATOM 0 HA ARG A 50 25.737 -7.852 -22.571 1.00 23.11 H new ATOM 0 HB2 ARG A 50 22.759 -8.321 -22.216 1.00 71.22 H new ATOM 0 HB3 ARG A 50 23.438 -6.763 -22.646 1.00 71.22 H new ATOM 0 HG2 ARG A 50 24.205 -9.141 -24.307 1.00 63.12 H new ATOM 0 HG3 ARG A 50 22.586 -8.495 -24.488 1.00 63.12 H new ATOM 0 HD2 ARG A 50 24.878 -6.545 -24.532 1.00 61.24 H new ATOM 0 HD3 ARG A 50 24.658 -7.575 -25.933 1.00 61.24 H new ATOM 0 HE ARG A 50 22.412 -6.664 -26.234 1.00 72.01 H new ATOM 0 HH11 ARG A 50 24.371 -4.832 -23.862 1.00 63.44 H new ATOM 0 HH12 ARG A 50 23.327 -3.416 -24.024 1.00 63.44 H new ATOM 0 HH21 ARG A 50 21.210 -4.869 -26.341 1.00 61.10 H new ATOM 0 HH22 ARG A 50 21.604 -3.441 -25.378 1.00 61.10 H new ATOM 728 N ILE A 51 24.313 -8.099 -19.624 1.00 34.12 N ATOM 729 CA ILE A 51 24.420 -7.551 -18.260 1.00 54.51 C ATOM 730 C ILE A 51 25.884 -7.578 -17.845 1.00 62.40 C ATOM 731 O ILE A 51 26.379 -6.612 -17.288 1.00 44.10 O ATOM 732 CB ILE A 51 23.565 -8.356 -17.244 1.00 61.44 C ATOM 733 CG1 ILE A 51 22.065 -8.088 -17.465 1.00 63.40 C ATOM 734 CG2 ILE A 51 23.942 -7.965 -15.777 1.00 13.44 C ATOM 735 CD1 ILE A 51 21.127 -9.054 -16.719 1.00 45.12 C ATOM 0 H ILE A 51 23.739 -8.938 -19.709 1.00 34.12 H new ATOM 0 HA ILE A 51 24.039 -6.530 -18.262 1.00 54.51 H new ATOM 0 HB ILE A 51 23.770 -9.415 -17.401 1.00 61.44 H new ATOM 0 HG12 ILE A 51 21.841 -7.069 -17.151 1.00 63.40 H new ATOM 0 HG13 ILE A 51 21.852 -8.146 -18.532 1.00 63.40 H new ATOM 0 HG21 ILE A 51 23.333 -8.539 -15.079 1.00 13.44 H new ATOM 0 HG22 ILE A 51 24.996 -8.182 -15.602 1.00 13.44 H new ATOM 0 HG23 ILE A 51 23.761 -6.901 -15.626 1.00 13.44 H new ATOM 0 HD11 ILE A 51 20.091 -8.792 -16.932 1.00 45.12 H new ATOM 0 HD12 ILE A 51 21.318 -10.075 -17.050 1.00 45.12 H new ATOM 0 HD13 ILE A 51 21.307 -8.980 -15.646 1.00 45.12 H new ATOM 747 N ARG A 52 26.613 -8.635 -18.166 1.00 64.13 N ATOM 748 CA ARG A 52 28.010 -8.720 -17.762 1.00 31.02 C ATOM 749 C ARG A 52 28.944 -7.754 -18.523 1.00 63.23 C ATOM 750 O ARG A 52 29.910 -7.302 -17.937 1.00 43.42 O ATOM 751 CB ARG A 52 28.537 -10.135 -17.885 1.00 43.34 C ATOM 752 CG ARG A 52 29.683 -10.377 -16.909 1.00 2.30 C ATOM 753 CD ARG A 52 30.126 -11.828 -16.748 1.00 54.30 C ATOM 754 NE ARG A 52 31.550 -11.858 -16.304 1.00 74.31 N ATOM 755 CZ ARG A 52 31.943 -11.834 -15.033 1.00 10.11 C ATOM 756 NH1 ARG A 52 31.101 -11.751 -14.031 1.00 63.32 N ATOM 757 NH2 ARG A 52 33.218 -11.853 -14.780 1.00 70.11 N ATOM 0 H ARG A 52 26.269 -9.435 -18.697 1.00 64.13 H new ATOM 0 HA ARG A 52 28.018 -8.413 -16.716 1.00 31.02 H new ATOM 0 HB2 ARG A 52 27.733 -10.845 -17.691 1.00 43.34 H new ATOM 0 HB3 ARG A 52 28.879 -10.312 -18.905 1.00 43.34 H new ATOM 0 HG2 ARG A 52 30.542 -9.789 -17.234 1.00 2.30 H new ATOM 0 HG3 ARG A 52 29.388 -9.997 -15.931 1.00 2.30 H new ATOM 0 HD2 ARG A 52 29.494 -12.335 -16.019 1.00 54.30 H new ATOM 0 HD3 ARG A 52 30.015 -12.362 -17.692 1.00 54.30 H new ATOM 0 HE ARG A 52 32.271 -11.900 -17.024 1.00 74.31 H new ATOM 0 HH11 ARG A 52 30.098 -11.702 -14.210 1.00 63.32 H new ATOM 0 HH12 ARG A 52 31.449 -11.736 -13.072 1.00 63.32 H new ATOM 0 HH21 ARG A 52 33.890 -11.886 -15.547 1.00 70.11 H new ATOM 0 HH22 ARG A 52 33.547 -11.835 -13.815 1.00 70.11 H new ATOM 771 N GLU A 53 28.629 -7.397 -19.764 1.00 55.55 N ATOM 772 CA GLU A 53 29.438 -6.421 -20.477 1.00 62.52 C ATOM 773 C GLU A 53 29.345 -5.076 -19.738 1.00 42.33 C ATOM 774 O GLU A 53 30.334 -4.368 -19.586 1.00 60.14 O ATOM 775 CB GLU A 53 28.939 -6.245 -21.908 1.00 60.15 C ATOM 776 CG GLU A 53 29.397 -7.319 -22.892 1.00 22.20 C ATOM 777 CD GLU A 53 30.745 -6.996 -23.533 1.00 73.24 C ATOM 778 OE1 GLU A 53 31.790 -7.228 -22.899 1.00 44.22 O ATOM 779 OE2 GLU A 53 30.752 -6.592 -24.719 1.00 3.33 O ATOM 0 H GLU A 53 27.833 -7.762 -20.287 1.00 55.55 H new ATOM 0 HA GLU A 53 30.470 -6.770 -20.513 1.00 62.52 H new ATOM 0 HB2 GLU A 53 27.849 -6.226 -21.896 1.00 60.15 H new ATOM 0 HB3 GLU A 53 29.270 -5.274 -22.275 1.00 60.15 H new ATOM 0 HG2 GLU A 53 29.466 -8.275 -22.373 1.00 22.20 H new ATOM 0 HG3 GLU A 53 28.646 -7.434 -23.674 1.00 22.20 H new ATOM 786 N GLU A 54 28.141 -4.717 -19.322 1.00 71.45 N ATOM 787 CA GLU A 54 27.893 -3.412 -18.726 1.00 70.11 C ATOM 788 C GLU A 54 28.189 -3.329 -17.220 1.00 51.33 C ATOM 789 O GLU A 54 28.679 -2.307 -16.736 1.00 43.23 O ATOM 790 CB GLU A 54 26.422 -3.069 -18.991 1.00 41.32 C ATOM 791 CG GLU A 54 25.976 -3.092 -20.439 1.00 74.33 C ATOM 792 CD GLU A 54 26.662 -2.028 -21.275 1.00 23.44 C ATOM 793 OE1 GLU A 54 26.853 -0.903 -20.772 1.00 42.04 O ATOM 794 OE2 GLU A 54 26.915 -2.287 -22.483 1.00 23.14 O ATOM 0 H GLU A 54 27.316 -5.313 -19.386 1.00 71.45 H new ATOM 0 HA GLU A 54 28.579 -2.700 -19.184 1.00 70.11 H new ATOM 0 HB2 GLU A 54 25.802 -3.769 -18.431 1.00 41.32 H new ATOM 0 HB3 GLU A 54 26.225 -2.076 -18.588 1.00 41.32 H new ATOM 0 HG2 GLU A 54 26.184 -4.074 -20.864 1.00 74.33 H new ATOM 0 HG3 GLU A 54 24.897 -2.946 -20.486 1.00 74.33 H new ATOM 801 N LEU A 55 27.870 -4.387 -16.493 1.00 24.55 N ATOM 802 CA LEU A 55 27.973 -4.397 -15.031 1.00 51.32 C ATOM 803 C LEU A 55 29.036 -5.347 -14.478 1.00 42.33 C ATOM 804 O LEU A 55 29.390 -5.281 -13.309 1.00 13.32 O ATOM 805 CB LEU A 55 26.621 -4.789 -14.416 1.00 65.24 C ATOM 806 CG LEU A 55 25.521 -3.721 -14.236 1.00 34.32 C ATOM 807 CD1 LEU A 55 25.931 -2.715 -13.167 1.00 44.00 C ATOM 808 CD2 LEU A 55 25.147 -2.994 -15.521 1.00 4.30 C ATOM 0 H LEU A 55 27.533 -5.263 -16.891 1.00 24.55 H new ATOM 0 HA LEU A 55 28.270 -3.385 -14.757 1.00 51.32 H new ATOM 0 HB2 LEU A 55 26.203 -5.586 -15.031 1.00 65.24 H new ATOM 0 HB3 LEU A 55 26.822 -5.217 -13.434 1.00 65.24 H new ATOM 0 HG LEU A 55 24.628 -4.262 -13.922 1.00 34.32 H new ATOM 0 HD11 LEU A 55 25.146 -1.968 -13.051 1.00 44.00 H new ATOM 0 HD12 LEU A 55 26.083 -3.232 -12.220 1.00 44.00 H new ATOM 0 HD13 LEU A 55 26.858 -2.225 -13.465 1.00 44.00 H new ATOM 0 HD21 LEU A 55 24.369 -2.261 -15.311 1.00 4.30 H new ATOM 0 HD22 LEU A 55 26.025 -2.487 -15.921 1.00 4.30 H new ATOM 0 HD23 LEU A 55 24.779 -3.714 -16.252 1.00 4.30 H new ATOM 820 N GLY A 56 29.496 -6.284 -15.289 1.00 31.45 N ATOM 821 CA GLY A 56 30.506 -7.256 -14.852 1.00 20.34 C ATOM 822 C GLY A 56 29.986 -8.280 -13.829 1.00 55.44 C ATOM 823 O GLY A 56 30.784 -8.859 -13.126 1.00 61.13 O ATOM 0 H GLY A 56 29.191 -6.399 -16.256 1.00 31.45 H new ATOM 0 HA2 GLY A 56 30.884 -7.789 -15.724 1.00 20.34 H new ATOM 0 HA3 GLY A 56 31.349 -6.719 -14.417 1.00 20.34 H new ATOM 827 N VAL A 57 28.686 -8.557 -13.813 1.00 22.21 N ATOM 828 CA VAL A 57 28.085 -9.458 -12.828 1.00 22.40 C ATOM 829 C VAL A 57 27.464 -10.642 -13.632 1.00 62.25 C ATOM 830 O VAL A 57 27.088 -10.567 -14.803 1.00 75.20 O ATOM 831 CB VAL A 57 27.054 -8.815 -11.965 1.00 31.31 C ATOM 832 CG1 VAL A 57 27.780 -7.709 -11.125 1.00 60.15 C ATOM 833 CG2 VAL A 57 25.906 -8.222 -12.718 1.00 10.45 C ATOM 0 H VAL A 57 28.019 -8.166 -14.479 1.00 22.21 H new ATOM 0 HA VAL A 57 28.859 -9.786 -12.134 1.00 22.40 H new ATOM 0 HB VAL A 57 26.609 -9.586 -11.337 1.00 31.31 H new ATOM 0 HG11 VAL A 57 27.058 -7.212 -10.477 1.00 60.15 H new ATOM 0 HG12 VAL A 57 28.559 -8.167 -10.516 1.00 60.15 H new ATOM 0 HG13 VAL A 57 28.229 -6.977 -11.797 1.00 60.15 H new ATOM 0 HG21 VAL A 57 25.202 -7.775 -12.016 1.00 10.45 H new ATOM 0 HG22 VAL A 57 26.275 -7.455 -13.399 1.00 10.45 H new ATOM 0 HG23 VAL A 57 25.403 -9.003 -13.288 1.00 10.45 H new ATOM 843 N ASP A 58 27.309 -11.784 -12.945 1.00 63.03 N ATOM 844 CA ASP A 58 26.781 -13.030 -13.550 1.00 23.14 C ATOM 845 C ASP A 58 25.624 -13.552 -12.692 1.00 55.44 C ATOM 846 O ASP A 58 25.634 -13.458 -11.478 1.00 34.34 O ATOM 847 CB ASP A 58 27.878 -14.079 -13.601 1.00 71.55 C ATOM 848 CG ASP A 58 27.408 -15.371 -14.282 1.00 5.31 C ATOM 849 OD1 ASP A 58 26.623 -15.290 -15.262 1.00 44.21 O ATOM 850 OD2 ASP A 58 27.805 -16.459 -13.835 1.00 42.12 O ATOM 0 H ASP A 58 27.544 -11.876 -11.957 1.00 63.03 H new ATOM 0 HA ASP A 58 26.431 -12.823 -14.561 1.00 23.14 H new ATOM 0 HB2 ASP A 58 28.738 -13.678 -14.138 1.00 71.55 H new ATOM 0 HB3 ASP A 58 28.212 -14.304 -12.588 1.00 71.55 H new ATOM 855 N LEU A 59 24.644 -14.118 -13.364 1.00 54.12 N ATOM 856 CA LEU A 59 23.514 -14.766 -12.740 1.00 54.23 C ATOM 857 C LEU A 59 23.148 -15.965 -13.603 1.00 74.42 C ATOM 858 O LEU A 59 22.891 -15.806 -14.787 1.00 53.52 O ATOM 859 CB LEU A 59 22.326 -13.802 -12.642 1.00 20.44 C ATOM 860 CG LEU A 59 21.109 -14.388 -11.892 1.00 40.31 C ATOM 861 CD1 LEU A 59 21.059 -13.861 -10.457 1.00 5.42 C ATOM 862 CD2 LEU A 59 19.840 -14.042 -12.641 1.00 65.52 C ATOM 0 H LEU A 59 24.612 -14.140 -14.383 1.00 54.12 H new ATOM 0 HA LEU A 59 23.766 -15.080 -11.727 1.00 54.23 H new ATOM 0 HB2 LEU A 59 22.649 -12.892 -12.136 1.00 20.44 H new ATOM 0 HB3 LEU A 59 22.018 -13.516 -13.648 1.00 20.44 H new ATOM 0 HG LEU A 59 21.204 -15.473 -11.844 1.00 40.31 H new ATOM 0 HD11 LEU A 59 20.195 -14.284 -9.944 1.00 5.42 H new ATOM 0 HD12 LEU A 59 21.970 -14.148 -9.932 1.00 5.42 H new ATOM 0 HD13 LEU A 59 20.976 -12.774 -10.471 1.00 5.42 H new ATOM 0 HD21 LEU A 59 18.981 -14.455 -12.112 1.00 65.52 H new ATOM 0 HD22 LEU A 59 19.739 -12.959 -12.705 1.00 65.52 H new ATOM 0 HD23 LEU A 59 19.884 -14.463 -13.646 1.00 65.52 H new ATOM 874 N PRO A 60 23.121 -17.183 -13.030 1.00 73.31 N ATOM 875 CA PRO A 60 22.845 -18.315 -13.926 1.00 12.31 C ATOM 876 C PRO A 60 21.401 -18.341 -14.419 1.00 64.51 C ATOM 877 O PRO A 60 20.475 -17.914 -13.721 1.00 62.54 O ATOM 878 CB PRO A 60 23.166 -19.532 -13.051 1.00 2.51 C ATOM 879 CG PRO A 60 22.885 -19.057 -11.664 1.00 73.31 C ATOM 880 CD PRO A 60 23.386 -17.638 -11.651 1.00 5.14 C ATOM 0 HA PRO A 60 23.432 -18.271 -14.843 1.00 12.31 H new ATOM 0 HB2 PRO A 60 22.545 -20.389 -13.314 1.00 2.51 H new ATOM 0 HB3 PRO A 60 24.204 -19.844 -13.165 1.00 2.51 H new ATOM 0 HG2 PRO A 60 21.821 -19.106 -11.434 1.00 73.31 H new ATOM 0 HG3 PRO A 60 23.399 -19.668 -10.922 1.00 73.31 H new ATOM 0 HD2 PRO A 60 22.858 -17.030 -10.916 1.00 5.14 H new ATOM 0 HD3 PRO A 60 24.447 -17.586 -11.405 1.00 5.14 H new ATOM 888 N ILE A 61 21.207 -18.890 -15.613 1.00 53.30 N ATOM 889 CA ILE A 61 19.881 -18.971 -16.238 1.00 41.41 C ATOM 890 C ILE A 61 18.834 -19.671 -15.355 1.00 75.10 C ATOM 891 O ILE A 61 17.657 -19.330 -15.387 1.00 44.35 O ATOM 892 CB ILE A 61 19.999 -19.681 -17.643 1.00 61.41 C ATOM 893 CG1 ILE A 61 18.727 -19.476 -18.487 1.00 41.32 C ATOM 894 CG2 ILE A 61 20.285 -21.199 -17.501 1.00 1.13 C ATOM 895 CD1 ILE A 61 18.541 -18.073 -19.037 1.00 2.10 C ATOM 0 H ILE A 61 21.957 -19.291 -16.177 1.00 53.30 H new ATOM 0 HA ILE A 61 19.524 -17.950 -16.370 1.00 41.41 H new ATOM 0 HB ILE A 61 20.842 -19.215 -18.153 1.00 61.41 H new ATOM 0 HG12 ILE A 61 18.746 -20.177 -19.321 1.00 41.32 H new ATOM 0 HG13 ILE A 61 17.860 -19.729 -17.877 1.00 41.32 H new ATOM 0 HG21 ILE A 61 20.359 -21.649 -18.491 1.00 1.13 H new ATOM 0 HG22 ILE A 61 21.223 -21.344 -16.965 1.00 1.13 H new ATOM 0 HG23 ILE A 61 19.474 -21.672 -16.947 1.00 1.13 H new ATOM 0 HD11 ILE A 61 17.619 -18.029 -19.616 1.00 2.10 H new ATOM 0 HD12 ILE A 61 18.485 -17.363 -18.212 1.00 2.10 H new ATOM 0 HD13 ILE A 61 19.385 -17.819 -19.678 1.00 2.10 H new ATOM 907 N ARG A 62 19.265 -20.612 -14.524 1.00 4.31 N ATOM 908 CA ARG A 62 18.341 -21.310 -13.632 1.00 1.13 C ATOM 909 C ARG A 62 17.744 -20.386 -12.585 1.00 55.12 C ATOM 910 O ARG A 62 16.614 -20.591 -12.163 1.00 23.15 O ATOM 911 CB ARG A 62 19.029 -22.498 -12.943 1.00 71.44 C ATOM 912 CG ARG A 62 19.312 -23.702 -13.856 1.00 32.22 C ATOM 913 CD ARG A 62 18.025 -24.277 -14.488 1.00 74.45 C ATOM 914 NE ARG A 62 17.015 -24.656 -13.485 1.00 53.14 N ATOM 915 CZ ARG A 62 15.772 -25.045 -13.761 1.00 43.23 C ATOM 916 NH1 ARG A 62 15.319 -25.133 -14.989 1.00 12.11 N ATOM 917 NH2 ARG A 62 14.973 -25.355 -12.781 1.00 13.42 N ATOM 0 H ARG A 62 20.238 -20.909 -14.447 1.00 4.31 H new ATOM 0 HA ARG A 62 17.528 -21.680 -14.257 1.00 1.13 H new ATOM 0 HB2 ARG A 62 19.971 -22.155 -12.516 1.00 71.44 H new ATOM 0 HB3 ARG A 62 18.405 -22.829 -12.113 1.00 71.44 H new ATOM 0 HG2 ARG A 62 19.999 -23.401 -14.647 1.00 32.22 H new ATOM 0 HG3 ARG A 62 19.811 -24.482 -13.280 1.00 32.22 H new ATOM 0 HD2 ARG A 62 17.597 -23.538 -15.166 1.00 74.45 H new ATOM 0 HD3 ARG A 62 18.280 -25.151 -15.088 1.00 74.45 H new ATOM 0 HE ARG A 62 17.289 -24.617 -12.503 1.00 53.14 H new ATOM 0 HH11 ARG A 62 15.926 -24.899 -15.775 1.00 12.11 H new ATOM 0 HH12 ARG A 62 14.360 -25.435 -15.158 1.00 12.11 H new ATOM 0 HH21 ARG A 62 15.302 -25.298 -11.817 1.00 13.42 H new ATOM 0 HH22 ARG A 62 14.018 -25.655 -12.977 1.00 13.42 H new ATOM 931 N GLN A 63 18.479 -19.363 -12.181 1.00 43.44 N ATOM 932 CA GLN A 63 17.968 -18.406 -11.207 1.00 1.21 C ATOM 933 C GLN A 63 17.043 -17.439 -11.934 1.00 72.45 C ATOM 934 O GLN A 63 16.007 -17.070 -11.423 1.00 75.40 O ATOM 935 CB GLN A 63 19.113 -17.645 -10.527 1.00 52.41 C ATOM 936 CG GLN A 63 18.800 -17.226 -9.093 1.00 4.43 C ATOM 937 CD GLN A 63 17.673 -16.215 -8.991 1.00 63.50 C ATOM 938 OE1 GLN A 63 17.718 -15.158 -9.596 1.00 34.13 O ATOM 939 NE2 GLN A 63 16.665 -16.532 -8.213 1.00 62.40 N ATOM 0 H GLN A 63 19.426 -19.172 -12.509 1.00 43.44 H new ATOM 0 HA GLN A 63 17.423 -18.935 -10.425 1.00 1.21 H new ATOM 0 HB2 GLN A 63 20.005 -18.271 -10.527 1.00 52.41 H new ATOM 0 HB3 GLN A 63 19.347 -16.757 -11.114 1.00 52.41 H new ATOM 0 HG2 GLN A 63 18.537 -18.111 -8.513 1.00 4.43 H new ATOM 0 HG3 GLN A 63 19.698 -16.804 -8.642 1.00 4.43 H new ATOM 0 HE21 GLN A 63 16.661 -17.426 -7.722 1.00 62.40 H new ATOM 0 HE22 GLN A 63 15.885 -15.884 -8.099 1.00 62.40 H new ATOM 948 N LEU A 64 17.393 -17.100 -13.166 1.00 50.32 N ATOM 949 CA LEU A 64 16.587 -16.193 -13.986 1.00 20.51 C ATOM 950 C LEU A 64 15.166 -16.721 -14.211 1.00 31.21 C ATOM 951 O LEU A 64 14.224 -15.953 -14.268 1.00 25.15 O ATOM 952 CB LEU A 64 17.288 -15.965 -15.330 1.00 52.50 C ATOM 953 CG LEU A 64 17.505 -14.499 -15.742 1.00 52.32 C ATOM 954 CD1 LEU A 64 18.480 -14.445 -16.906 1.00 43.21 C ATOM 955 CD2 LEU A 64 16.188 -13.812 -16.129 1.00 2.14 C ATOM 0 H LEU A 64 18.237 -17.440 -13.627 1.00 50.32 H new ATOM 0 HA LEU A 64 16.494 -15.249 -13.449 1.00 20.51 H new ATOM 0 HB2 LEU A 64 18.259 -16.459 -15.298 1.00 52.50 H new ATOM 0 HB3 LEU A 64 16.705 -16.457 -16.108 1.00 52.50 H new ATOM 0 HG LEU A 64 17.913 -13.962 -14.885 1.00 52.32 H new ATOM 0 HD11 LEU A 64 18.637 -13.408 -17.201 1.00 43.21 H new ATOM 0 HD12 LEU A 64 19.431 -14.884 -16.605 1.00 43.21 H new ATOM 0 HD13 LEU A 64 18.073 -15.004 -17.748 1.00 43.21 H new ATOM 0 HD21 LEU A 64 16.387 -12.779 -16.413 1.00 2.14 H new ATOM 0 HD22 LEU A 64 15.736 -14.339 -16.969 1.00 2.14 H new ATOM 0 HD23 LEU A 64 15.505 -13.830 -15.280 1.00 2.14 H new ATOM 967 N PHE A 65 15.002 -18.034 -14.274 1.00 62.24 N ATOM 968 CA PHE A 65 13.658 -18.611 -14.403 1.00 72.32 C ATOM 969 C PHE A 65 12.783 -18.339 -13.176 1.00 11.52 C ATOM 970 O PHE A 65 11.559 -18.264 -13.282 1.00 60.12 O ATOM 971 CB PHE A 65 13.729 -20.131 -14.632 1.00 41.21 C ATOM 972 CG PHE A 65 14.379 -20.521 -15.939 1.00 3.02 C ATOM 973 CD1 PHE A 65 13.996 -19.906 -17.150 1.00 12.23 C ATOM 974 CD2 PHE A 65 15.368 -21.521 -15.966 1.00 13.11 C ATOM 975 CE1 PHE A 65 14.598 -20.279 -18.372 1.00 55.34 C ATOM 976 CE2 PHE A 65 15.979 -21.901 -17.189 1.00 34.31 C ATOM 977 CZ PHE A 65 15.587 -21.279 -18.388 1.00 74.15 C ATOM 0 H PHE A 65 15.761 -18.714 -14.239 1.00 62.24 H new ATOM 0 HA PHE A 65 13.203 -18.125 -15.266 1.00 72.32 H new ATOM 0 HB2 PHE A 65 14.283 -20.587 -13.811 1.00 41.21 H new ATOM 0 HB3 PHE A 65 12.720 -20.541 -14.602 1.00 41.21 H new ATOM 0 HD1 PHE A 65 13.234 -19.141 -17.142 1.00 12.23 H new ATOM 0 HD2 PHE A 65 15.665 -22.004 -15.047 1.00 13.11 H new ATOM 0 HE1 PHE A 65 14.300 -19.798 -19.292 1.00 55.34 H new ATOM 0 HE2 PHE A 65 16.742 -22.665 -17.199 1.00 34.31 H new ATOM 0 HZ PHE A 65 16.046 -21.569 -19.322 1.00 74.15 H new ATOM 987 N SER A 66 13.413 -18.195 -12.018 1.00 33.42 N ATOM 988 CA SER A 66 12.699 -17.878 -10.777 1.00 12.44 C ATOM 989 C SER A 66 12.599 -16.356 -10.576 1.00 12.42 C ATOM 990 O SER A 66 11.817 -15.880 -9.763 1.00 72.15 O ATOM 991 CB SER A 66 13.435 -18.490 -9.579 1.00 52.33 C ATOM 992 OG SER A 66 13.553 -19.903 -9.734 1.00 20.05 O ATOM 0 H SER A 66 14.422 -18.292 -11.907 1.00 33.42 H new ATOM 0 HA SER A 66 11.694 -18.295 -10.850 1.00 12.44 H new ATOM 0 HB2 SER A 66 14.425 -18.044 -9.487 1.00 52.33 H new ATOM 0 HB3 SER A 66 12.896 -18.263 -8.659 1.00 52.33 H new ATOM 0 HG SER A 66 14.026 -20.278 -8.962 1.00 20.05 H new ATOM 998 N SER A 67 13.405 -15.614 -11.316 1.00 42.22 N ATOM 999 CA SER A 67 13.450 -14.158 -11.247 1.00 0.02 C ATOM 1000 C SER A 67 13.307 -13.557 -12.666 1.00 14.41 C ATOM 1001 O SER A 67 14.256 -12.944 -13.159 1.00 24.14 O ATOM 1002 CB SER A 67 14.794 -13.700 -10.670 1.00 30.43 C ATOM 1003 OG SER A 67 15.039 -14.276 -9.391 1.00 62.23 O ATOM 0 H SER A 67 14.058 -16.009 -11.993 1.00 42.22 H new ATOM 0 HA SER A 67 12.633 -13.820 -10.610 1.00 0.02 H new ATOM 0 HB2 SER A 67 15.597 -13.976 -11.354 1.00 30.43 H new ATOM 0 HB3 SER A 67 14.804 -12.613 -10.588 1.00 30.43 H new ATOM 0 HG SER A 67 15.994 -14.474 -9.299 1.00 62.23 H new ATOM 1009 N PRO A 68 12.169 -13.773 -13.337 1.00 73.14 N ATOM 1010 CA PRO A 68 12.139 -13.275 -14.720 1.00 74.12 C ATOM 1011 C PRO A 68 11.985 -11.758 -14.844 1.00 43.21 C ATOM 1012 O PRO A 68 12.229 -11.200 -15.911 1.00 45.30 O ATOM 1013 CB PRO A 68 10.941 -14.007 -15.302 1.00 1.05 C ATOM 1014 CG PRO A 68 10.015 -14.135 -14.145 1.00 62.53 C ATOM 1015 CD PRO A 68 10.913 -14.480 -12.998 1.00 33.14 C ATOM 0 HA PRO A 68 13.081 -13.461 -15.237 1.00 74.12 H new ATOM 0 HB2 PRO A 68 10.487 -13.447 -16.119 1.00 1.05 H new ATOM 0 HB3 PRO A 68 11.222 -14.982 -15.701 1.00 1.05 H new ATOM 0 HG2 PRO A 68 9.474 -13.207 -13.963 1.00 62.53 H new ATOM 0 HG3 PRO A 68 9.269 -14.911 -14.315 1.00 62.53 H new ATOM 0 HD2 PRO A 68 10.502 -14.141 -12.047 1.00 33.14 H new ATOM 0 HD3 PRO A 68 11.065 -15.556 -12.914 1.00 33.14 H new ATOM 1023 N THR A 69 11.566 -11.104 -13.773 1.00 51.00 N ATOM 1024 CA THR A 69 11.395 -9.648 -13.765 1.00 55.22 C ATOM 1025 C THR A 69 12.734 -8.991 -13.394 1.00 3.43 C ATOM 1026 O THR A 69 13.519 -9.572 -12.642 1.00 2.00 O ATOM 1027 CB THR A 69 10.330 -9.226 -12.718 1.00 15.34 C ATOM 1028 OG1 THR A 69 10.713 -9.708 -11.433 1.00 22.53 O ATOM 1029 CG2 THR A 69 8.963 -9.816 -13.060 1.00 70.34 C ATOM 0 H THR A 69 11.335 -11.556 -12.889 1.00 51.00 H new ATOM 0 HA THR A 69 11.067 -9.329 -14.754 1.00 55.22 H new ATOM 0 HB THR A 69 10.264 -8.138 -12.722 1.00 15.34 H new ATOM 0 HG1 THR A 69 10.042 -9.441 -10.770 1.00 22.53 H new ATOM 0 HG21 THR A 69 8.235 -9.505 -12.311 1.00 70.34 H new ATOM 0 HG22 THR A 69 8.648 -9.461 -14.041 1.00 70.34 H new ATOM 0 HG23 THR A 69 9.029 -10.904 -13.072 1.00 70.34 H new ATOM 1037 N PRO A 70 12.944 -7.738 -13.796 1.00 5.25 N ATOM 1038 CA PRO A 70 14.175 -7.061 -13.377 1.00 31.21 C ATOM 1039 C PRO A 70 14.287 -6.840 -11.857 1.00 43.35 C ATOM 1040 O PRO A 70 15.386 -7.005 -11.319 1.00 60.34 O ATOM 1041 CB PRO A 70 14.127 -5.756 -14.140 1.00 73.40 C ATOM 1042 CG PRO A 70 12.680 -5.520 -14.448 1.00 62.14 C ATOM 1043 CD PRO A 70 12.111 -6.871 -14.644 1.00 45.15 C ATOM 0 HA PRO A 70 15.058 -7.663 -13.594 1.00 31.21 H new ATOM 0 HB2 PRO A 70 14.539 -4.940 -13.546 1.00 73.40 H new ATOM 0 HB3 PRO A 70 14.717 -5.815 -15.054 1.00 73.40 H new ATOM 0 HG2 PRO A 70 12.182 -4.996 -13.632 1.00 62.14 H new ATOM 0 HG3 PRO A 70 12.560 -4.907 -15.341 1.00 62.14 H new ATOM 0 HD2 PRO A 70 11.063 -6.909 -14.346 1.00 45.15 H new ATOM 0 HD3 PRO A 70 12.156 -7.175 -15.690 1.00 45.15 H new ATOM 1051 N ALA A 71 13.184 -6.550 -11.198 1.00 25.33 N ATOM 1052 CA ALA A 71 13.204 -6.445 -9.741 1.00 33.13 C ATOM 1053 C ALA A 71 13.649 -7.747 -9.057 1.00 33.31 C ATOM 1054 O ALA A 71 14.430 -7.760 -8.070 1.00 22.34 O ATOM 1055 CB ALA A 71 11.781 -6.067 -9.244 1.00 4.14 C ATOM 0 H ALA A 71 12.276 -6.384 -11.631 1.00 25.33 H new ATOM 0 HA ALA A 71 13.931 -5.677 -9.477 1.00 33.13 H new ATOM 0 HB1 ALA A 71 11.785 -5.986 -8.157 1.00 4.14 H new ATOM 0 HB2 ALA A 71 11.486 -5.112 -9.678 1.00 4.14 H new ATOM 0 HB3 ALA A 71 11.073 -6.838 -9.548 1.00 4.14 H new ATOM 1061 N GLY A 72 13.238 -8.892 -9.631 1.00 65.01 N ATOM 1062 CA GLY A 72 13.657 -10.191 -9.138 1.00 0.41 C ATOM 1063 C GLY A 72 15.152 -10.402 -9.312 1.00 10.15 C ATOM 1064 O GLY A 72 15.817 -10.879 -8.402 1.00 63.12 O ATOM 0 H GLY A 72 12.615 -8.931 -10.438 1.00 65.01 H new ATOM 0 HA2 GLY A 72 13.397 -10.281 -8.083 1.00 0.41 H new ATOM 0 HA3 GLY A 72 13.115 -10.974 -9.668 1.00 0.41 H new ATOM 1068 N VAL A 73 15.681 -10.054 -10.475 1.00 53.20 N ATOM 1069 CA VAL A 73 17.115 -10.244 -10.733 1.00 14.23 C ATOM 1070 C VAL A 73 17.949 -9.366 -9.793 1.00 74.04 C ATOM 1071 O VAL A 73 18.950 -9.840 -9.258 1.00 11.24 O ATOM 1072 CB VAL A 73 17.489 -9.908 -12.221 1.00 21.15 C ATOM 1073 CG1 VAL A 73 19.005 -9.974 -12.456 1.00 65.52 C ATOM 1074 CG2 VAL A 73 16.780 -10.863 -13.187 1.00 12.12 C ATOM 0 H VAL A 73 15.156 -9.645 -11.248 1.00 53.20 H new ATOM 0 HA VAL A 73 17.337 -11.295 -10.551 1.00 14.23 H new ATOM 0 HB VAL A 73 17.157 -8.887 -12.411 1.00 21.15 H new ATOM 0 HG11 VAL A 73 19.223 -9.735 -13.497 1.00 65.52 H new ATOM 0 HG12 VAL A 73 19.505 -9.256 -11.807 1.00 65.52 H new ATOM 0 HG13 VAL A 73 19.365 -10.978 -12.231 1.00 65.52 H new ATOM 0 HG21 VAL A 73 17.053 -10.613 -14.212 1.00 12.12 H new ATOM 0 HG22 VAL A 73 17.081 -11.888 -12.971 1.00 12.12 H new ATOM 0 HG23 VAL A 73 15.701 -10.769 -13.066 1.00 12.12 H new ATOM 1084 N ALA A 74 17.552 -8.113 -9.581 1.00 2.40 N ATOM 1085 CA ALA A 74 18.305 -7.210 -8.718 1.00 45.43 C ATOM 1086 C ALA A 74 18.414 -7.675 -7.272 1.00 3.02 C ATOM 1087 O ALA A 74 19.485 -7.657 -6.697 1.00 50.43 O ATOM 1088 CB ALA A 74 17.693 -5.843 -8.779 1.00 2.31 C ATOM 0 H ALA A 74 16.715 -7.702 -9.995 1.00 2.40 H new ATOM 0 HA ALA A 74 19.327 -7.195 -9.098 1.00 45.43 H new ATOM 0 HB1 ALA A 74 18.253 -5.165 -8.135 1.00 2.31 H new ATOM 0 HB2 ALA A 74 17.723 -5.477 -9.805 1.00 2.31 H new ATOM 0 HB3 ALA A 74 16.658 -5.892 -8.441 1.00 2.31 H new ATOM 1094 N ARG A 75 17.297 -8.094 -6.701 1.00 25.41 N ATOM 1095 CA ARG A 75 17.288 -8.543 -5.304 1.00 70.53 C ATOM 1096 C ARG A 75 18.022 -9.877 -5.140 1.00 44.32 C ATOM 1097 O ARG A 75 18.675 -10.116 -4.135 1.00 61.40 O ATOM 1098 CB ARG A 75 15.839 -8.589 -4.760 1.00 3.43 C ATOM 1099 CG ARG A 75 14.926 -9.629 -5.356 1.00 3.14 C ATOM 1100 CD ARG A 75 13.455 -9.279 -5.097 1.00 45.23 C ATOM 1101 NE ARG A 75 13.145 -9.042 -3.665 1.00 23.12 N ATOM 1102 CZ ARG A 75 12.698 -7.889 -3.163 1.00 44.34 C ATOM 1103 NH1 ARG A 75 12.520 -6.816 -3.890 1.00 12.43 N ATOM 1104 NH2 ARG A 75 12.415 -7.836 -1.891 1.00 55.24 N ATOM 0 H ARG A 75 16.392 -8.136 -7.169 1.00 25.41 H new ATOM 0 HA ARG A 75 17.837 -7.818 -4.703 1.00 70.53 H new ATOM 0 HB2 ARG A 75 15.885 -8.753 -3.683 1.00 3.43 H new ATOM 0 HB3 ARG A 75 15.386 -7.610 -4.914 1.00 3.43 H new ATOM 0 HG2 ARG A 75 15.103 -9.702 -6.429 1.00 3.14 H new ATOM 0 HG3 ARG A 75 15.152 -10.606 -4.928 1.00 3.14 H new ATOM 0 HD2 ARG A 75 13.196 -8.388 -5.669 1.00 45.23 H new ATOM 0 HD3 ARG A 75 12.827 -10.089 -5.467 1.00 45.23 H new ATOM 0 HE ARG A 75 13.284 -9.817 -3.017 1.00 23.12 H new ATOM 0 HH11 ARG A 75 12.725 -6.837 -4.889 1.00 12.43 H new ATOM 0 HH12 ARG A 75 12.176 -5.959 -3.458 1.00 12.43 H new ATOM 0 HH21 ARG A 75 12.537 -8.663 -1.306 1.00 55.24 H new ATOM 0 HH22 ARG A 75 12.072 -6.968 -1.481 1.00 55.24 H new