USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 431 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 27 MET CE :methyl 174:sc= 0 (180deg=-0.0396) USER MOD Set 1.2: A 41 MET CE :methyl -172:sc=-0.00408 (180deg=-0.164) USER MOD Set 2.1: A 17 GLN : amide:sc= -1.62! C(o=-1.3!,f=-2.5!) USER MOD Set 2.2: A 21 SER OG : rot 116:sc= 0.314 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 120:sc= -0.375 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 8.479 -13.712 -8.840 1.00 41.42 N ATOM 101 CA TRP A 10 8.142 -12.938 -10.030 1.00 12.23 C ATOM 102 C TRP A 10 7.265 -13.750 -10.977 1.00 13.55 C ATOM 103 O TRP A 10 6.811 -13.244 -12.004 1.00 23.44 O ATOM 104 CB TRP A 10 9.415 -12.491 -10.751 1.00 33.24 C ATOM 105 CG TRP A 10 10.087 -13.596 -11.509 1.00 15.32 C ATOM 106 CD1 TRP A 10 10.653 -14.723 -10.985 1.00 43.52 C ATOM 107 CD2 TRP A 10 10.263 -13.677 -12.927 1.00 61.43 C ATOM 108 NE1 TRP A 10 11.172 -15.500 -11.993 1.00 13.23 N ATOM 109 CE2 TRP A 10 10.944 -14.881 -13.194 1.00 24.34 C ATOM 110 CE3 TRP A 10 9.910 -12.852 -13.998 1.00 62.23 C ATOM 111 CZ2 TRP A 10 11.279 -15.276 -14.486 1.00 24.41 C ATOM 112 CZ3 TRP A 10 10.244 -13.246 -15.280 1.00 53.33 C ATOM 113 CH2 TRP A 10 10.922 -14.449 -15.516 1.00 32.14 C ATOM 0 HA TRP A 10 7.584 -12.057 -9.714 1.00 12.23 H new ATOM 0 HB2 TRP A 10 9.169 -11.684 -11.441 1.00 33.24 H new ATOM 0 HB3 TRP A 10 10.114 -12.084 -10.020 1.00 33.24 H new ATOM 0 HD1 TRP A 10 10.688 -14.968 -9.934 1.00 43.52 H new ATOM 0 HE1 TRP A 10 11.649 -16.393 -11.867 1.00 13.23 H new ATOM 0 HE3 TRP A 10 9.386 -11.923 -13.827 1.00 62.23 H new ATOM 0 HZ2 TRP A 10 11.802 -16.203 -14.669 1.00 24.41 H new ATOM 0 HZ3 TRP A 10 9.977 -12.615 -16.115 1.00 53.33 H new ATOM 0 HH2 TRP A 10 11.167 -14.729 -16.530 1.00 32.14 H new ATOM 124 N ARG A 11 7.029 -15.009 -10.625 1.00 23.25 N ATOM 125 CA ARG A 11 6.207 -15.891 -11.444 1.00 52.44 C ATOM 126 C ARG A 11 4.738 -15.792 -11.044 1.00 32.15 C ATOM 127 O ARG A 11 3.908 -16.586 -11.487 1.00 25.54 O ATOM 128 CB ARG A 11 6.686 -17.338 -11.314 1.00 40.43 C ATOM 129 CG ARG A 11 7.559 -17.796 -12.471 1.00 32.50 C ATOM 130 CD ARG A 11 8.316 -19.070 -12.127 1.00 12.43 C ATOM 131 NE ARG A 11 7.838 -20.215 -12.896 1.00 32.53 N ATOM 132 CZ ARG A 11 6.764 -20.925 -12.567 1.00 0.03 C ATOM 133 NH1 ARG A 11 6.060 -20.607 -11.489 1.00 23.51 N ATOM 134 NH2 ARG A 11 6.392 -21.954 -13.317 1.00 30.30 N ATOM 0 H ARG A 11 7.396 -15.442 -9.777 1.00 23.25 H new ATOM 0 HA ARG A 11 6.305 -15.576 -12.483 1.00 52.44 H new ATOM 0 HB2 ARG A 11 7.244 -17.445 -10.384 1.00 40.43 H new ATOM 0 HB3 ARG A 11 5.819 -17.994 -11.242 1.00 40.43 H new ATOM 0 HG2 ARG A 11 6.939 -17.966 -13.351 1.00 32.50 H new ATOM 0 HG3 ARG A 11 8.267 -17.008 -12.728 1.00 32.50 H new ATOM 0 HD2 ARG A 11 9.379 -18.923 -12.319 1.00 12.43 H new ATOM 0 HD3 ARG A 11 8.210 -19.279 -11.062 1.00 12.43 H new ATOM 0 HE ARG A 11 8.357 -20.485 -13.732 1.00 32.53 H new ATOM 0 HH11 ARG A 11 6.343 -19.816 -10.910 1.00 23.51 H new ATOM 0 HH12 ARG A 11 5.236 -21.153 -11.239 1.00 23.51 H new ATOM 0 HH21 ARG A 11 6.931 -22.201 -14.147 1.00 30.30 H new ATOM 0 HH22 ARG A 11 5.567 -22.498 -13.063 1.00 30.30 H new ATOM 148 N SER A 12 4.424 -14.812 -10.202 1.00 72.21 N ATOM 149 CA SER A 12 3.056 -14.612 -9.738 1.00 20.32 C ATOM 150 C SER A 12 2.249 -13.810 -10.754 1.00 60.54 C ATOM 151 O SER A 12 2.772 -12.906 -11.407 1.00 31.05 O ATOM 152 CB SER A 12 3.053 -13.894 -8.387 1.00 23.21 C ATOM 153 OG SER A 12 1.906 -13.074 -8.248 1.00 21.14 O ATOM 0 H SER A 12 5.098 -14.145 -9.828 1.00 72.21 H new ATOM 0 HA SER A 12 2.591 -15.591 -9.622 1.00 20.32 H new ATOM 0 HB2 SER A 12 3.079 -14.628 -7.582 1.00 23.21 H new ATOM 0 HB3 SER A 12 3.952 -13.286 -8.293 1.00 23.21 H new ATOM 0 HG SER A 12 1.927 -12.627 -7.376 1.00 21.14 H new ATOM 159 N THR A 13 0.970 -14.149 -10.885 1.00 11.34 N ATOM 160 CA THR A 13 0.089 -13.463 -11.822 1.00 5.32 C ATOM 161 C THR A 13 0.064 -11.962 -11.555 1.00 22.14 C ATOM 162 O THR A 13 0.223 -11.156 -12.471 1.00 23.31 O ATOM 163 CB THR A 13 -1.348 -14.010 -11.746 1.00 32.43 C ATOM 164 OG1 THR A 13 -1.322 -15.429 -11.551 1.00 54.21 O ATOM 165 CG2 THR A 13 -2.120 -13.681 -13.014 1.00 74.55 C ATOM 0 H THR A 13 0.521 -14.895 -10.354 1.00 11.34 H new ATOM 0 HA THR A 13 0.487 -13.645 -12.820 1.00 5.32 H new ATOM 0 HB THR A 13 -1.850 -13.537 -10.902 1.00 32.43 H new ATOM 0 HG1 THR A 13 -2.240 -15.769 -11.502 1.00 54.21 H new ATOM 0 HG21 THR A 13 -3.132 -14.078 -12.937 1.00 74.55 H new ATOM 0 HG22 THR A 13 -2.163 -12.600 -13.144 1.00 74.55 H new ATOM 0 HG23 THR A 13 -1.619 -14.130 -13.872 1.00 74.55 H new ATOM 173 N ALA A 14 -0.136 -11.594 -10.294 1.00 10.45 N ATOM 174 CA ALA A 14 -0.179 -10.189 -9.906 1.00 31.23 C ATOM 175 C ALA A 14 1.063 -9.448 -10.389 1.00 52.20 C ATOM 176 O ALA A 14 0.986 -8.290 -10.801 1.00 30.04 O ATOM 177 CB ALA A 14 -0.318 -10.063 -8.396 1.00 5.42 C ATOM 0 H ALA A 14 -0.271 -12.249 -9.524 1.00 10.45 H new ATOM 0 HA ALA A 14 -1.049 -9.733 -10.379 1.00 31.23 H new ATOM 0 HB1 ALA A 14 -0.349 -9.009 -8.120 1.00 5.42 H new ATOM 0 HB2 ALA A 14 -1.239 -10.550 -8.073 1.00 5.42 H new ATOM 0 HB3 ALA A 14 0.534 -10.540 -7.911 1.00 5.42 H new ATOM 183 N PHE A 15 2.207 -10.122 -10.336 1.00 13.02 N ATOM 184 CA PHE A 15 3.466 -9.526 -10.767 1.00 20.12 C ATOM 185 C PHE A 15 3.444 -9.230 -12.264 1.00 34.25 C ATOM 186 O PHE A 15 3.430 -8.071 -12.678 1.00 2.02 O ATOM 187 CB PHE A 15 4.635 -10.457 -10.437 1.00 35.11 C ATOM 188 CG PHE A 15 5.939 -9.738 -10.248 1.00 3.44 C ATOM 189 CD1 PHE A 15 6.513 -9.029 -11.291 1.00 72.33 C ATOM 190 CD2 PHE A 15 6.592 -9.769 -9.026 1.00 20.02 C ATOM 191 CE1 PHE A 15 7.714 -8.367 -11.120 1.00 33.12 C ATOM 192 CE2 PHE A 15 7.793 -9.108 -8.848 1.00 61.33 C ATOM 193 CZ PHE A 15 8.354 -8.406 -9.897 1.00 10.55 C ATOM 0 H PHE A 15 2.288 -11.081 -9.999 1.00 13.02 H new ATOM 0 HA PHE A 15 3.596 -8.586 -10.231 1.00 20.12 H new ATOM 0 HB2 PHE A 15 4.401 -11.013 -9.529 1.00 35.11 H new ATOM 0 HB3 PHE A 15 4.745 -11.187 -11.239 1.00 35.11 H new ATOM 0 HD1 PHE A 15 6.016 -8.993 -12.249 1.00 72.33 H new ATOM 0 HD2 PHE A 15 6.157 -10.316 -8.203 1.00 20.02 H new ATOM 0 HE1 PHE A 15 8.152 -7.820 -11.942 1.00 33.12 H new ATOM 0 HE2 PHE A 15 8.292 -9.140 -7.891 1.00 61.33 H new ATOM 0 HZ PHE A 15 9.292 -7.888 -9.761 1.00 10.55 H new ATOM 203 N ARG A 16 3.440 -10.287 -13.069 1.00 42.05 N ATOM 204 CA ARG A 16 3.421 -10.142 -14.520 1.00 4.50 C ATOM 205 C ARG A 16 2.251 -9.269 -14.964 1.00 33.23 C ATOM 206 O ARG A 16 2.380 -8.463 -15.884 1.00 40.23 O ATOM 207 CB ARG A 16 3.332 -11.514 -15.190 1.00 53.33 C ATOM 208 CG ARG A 16 3.599 -11.479 -16.686 1.00 64.41 C ATOM 209 CD ARG A 16 2.787 -12.534 -17.422 1.00 1.33 C ATOM 210 NE ARG A 16 3.605 -13.677 -17.817 1.00 34.41 N ATOM 211 CZ ARG A 16 3.102 -14.810 -18.296 1.00 12.20 C ATOM 212 NH1 ARG A 16 1.791 -14.949 -18.439 1.00 10.31 N ATOM 213 NH2 ARG A 16 3.911 -15.806 -18.634 1.00 13.13 N ATOM 0 H ARG A 16 3.450 -11.253 -12.742 1.00 42.05 H new ATOM 0 HA ARG A 16 4.349 -9.657 -14.824 1.00 4.50 H new ATOM 0 HB2 ARG A 16 4.047 -12.187 -14.717 1.00 53.33 H new ATOM 0 HB3 ARG A 16 2.340 -11.930 -15.016 1.00 53.33 H new ATOM 0 HG2 ARG A 16 3.354 -10.492 -17.077 1.00 64.41 H new ATOM 0 HG3 ARG A 16 4.661 -11.641 -16.871 1.00 64.41 H new ATOM 0 HD2 ARG A 16 1.972 -12.875 -16.783 1.00 1.33 H new ATOM 0 HD3 ARG A 16 2.333 -12.090 -18.308 1.00 1.33 H new ATOM 0 HE ARG A 16 4.618 -13.602 -17.720 1.00 34.41 H new ATOM 0 HH11 ARG A 16 1.166 -14.185 -18.181 1.00 10.31 H new ATOM 0 HH12 ARG A 16 1.408 -15.820 -18.807 1.00 10.31 H new ATOM 0 HH21 ARG A 16 4.920 -15.702 -18.526 1.00 13.13 H new ATOM 0 HH22 ARG A 16 3.524 -16.675 -19.002 1.00 13.13 H new ATOM 227 N GLN A 17 1.110 -9.438 -14.303 1.00 11.10 N ATOM 228 CA GLN A 17 -0.083 -8.667 -14.631 1.00 14.33 C ATOM 229 C GLN A 17 0.201 -7.170 -14.564 1.00 15.32 C ATOM 230 O GLN A 17 0.091 -6.461 -15.564 1.00 41.34 O ATOM 231 CB GLN A 17 -1.225 -9.024 -13.678 1.00 31.44 C ATOM 232 CG GLN A 17 -2.523 -8.292 -13.981 1.00 25.42 C ATOM 233 CD GLN A 17 -2.540 -6.881 -13.427 1.00 64.32 C ATOM 234 OE1 GLN A 17 -2.347 -5.912 -14.161 1.00 54.45 O ATOM 235 NE2 GLN A 17 -2.771 -6.759 -12.125 1.00 44.53 N ATOM 0 H GLN A 17 0.987 -10.101 -13.538 1.00 11.10 H new ATOM 0 HA GLN A 17 -0.378 -8.918 -15.650 1.00 14.33 H new ATOM 0 HB2 GLN A 17 -1.404 -10.098 -13.725 1.00 31.44 H new ATOM 0 HB3 GLN A 17 -0.919 -8.796 -12.657 1.00 31.44 H new ATOM 0 HG2 GLN A 17 -2.672 -8.256 -15.060 1.00 25.42 H new ATOM 0 HG3 GLN A 17 -3.358 -8.853 -13.562 1.00 25.42 H new ATOM 0 HE21 GLN A 17 -2.926 -7.590 -11.554 1.00 44.53 H new ATOM 0 HE22 GLN A 17 -2.794 -5.834 -11.696 1.00 44.53 H new ATOM 244 N LYS A 18 0.565 -6.694 -13.378 1.00 24.20 N ATOM 245 CA LYS A 18 0.866 -5.281 -13.179 1.00 63.52 C ATOM 246 C LYS A 18 1.867 -4.787 -14.218 1.00 44.14 C ATOM 247 O LYS A 18 1.663 -3.748 -14.847 1.00 54.23 O ATOM 248 CB LYS A 18 1.420 -5.050 -11.771 1.00 41.15 C ATOM 249 CG LYS A 18 0.360 -4.652 -10.759 1.00 23.23 C ATOM 250 CD LYS A 18 0.814 -4.935 -9.336 1.00 60.24 C ATOM 251 CE LYS A 18 -0.369 -5.181 -8.413 1.00 21.34 C ATOM 252 NZ LYS A 18 -0.454 -4.156 -7.336 1.00 32.23 N ATOM 0 H LYS A 18 0.659 -7.267 -12.539 1.00 24.20 H new ATOM 0 HA LYS A 18 -0.060 -4.718 -13.295 1.00 63.52 H new ATOM 0 HB2 LYS A 18 1.913 -5.960 -11.430 1.00 41.15 H new ATOM 0 HB3 LYS A 18 2.182 -4.271 -11.812 1.00 41.15 H new ATOM 0 HG2 LYS A 18 0.134 -3.591 -10.866 1.00 23.23 H new ATOM 0 HG3 LYS A 18 -0.562 -5.197 -10.963 1.00 23.23 H new ATOM 0 HD2 LYS A 18 1.470 -5.805 -9.328 1.00 60.24 H new ATOM 0 HD3 LYS A 18 1.398 -4.093 -8.965 1.00 60.24 H new ATOM 0 HE2 LYS A 18 -1.291 -5.174 -8.994 1.00 21.34 H new ATOM 0 HE3 LYS A 18 -0.281 -6.171 -7.966 1.00 21.34 H new ATOM 0 HZ1 LYS A 18 -1.273 -4.358 -6.728 1.00 32.23 H new ATOM 0 HZ2 LYS A 18 0.415 -4.179 -6.765 1.00 32.23 H new ATOM 0 HZ3 LYS A 18 -0.563 -3.213 -7.762 1.00 32.23 H new ATOM 266 N LEU A 19 2.949 -5.538 -14.395 1.00 40.51 N ATOM 267 CA LEU A 19 3.982 -5.176 -15.360 1.00 72.10 C ATOM 268 C LEU A 19 3.403 -5.082 -16.768 1.00 15.41 C ATOM 269 O LEU A 19 3.730 -4.168 -17.525 1.00 62.25 O ATOM 270 CB LEU A 19 5.116 -6.202 -15.331 1.00 2.12 C ATOM 271 CG LEU A 19 6.178 -5.998 -14.249 1.00 52.14 C ATOM 272 CD1 LEU A 19 7.380 -5.258 -14.815 1.00 25.52 C ATOM 273 CD2 LEU A 19 5.594 -5.243 -13.064 1.00 52.44 C ATOM 0 H LEU A 19 3.134 -6.401 -13.883 1.00 40.51 H new ATOM 0 HA LEU A 19 4.377 -4.198 -15.083 1.00 72.10 H new ATOM 0 HB2 LEU A 19 4.680 -7.193 -15.202 1.00 2.12 H new ATOM 0 HB3 LEU A 19 5.610 -6.196 -16.303 1.00 2.12 H new ATOM 0 HG LEU A 19 6.509 -6.977 -13.902 1.00 52.14 H new ATOM 0 HD11 LEU A 19 8.125 -5.122 -14.031 1.00 25.52 H new ATOM 0 HD12 LEU A 19 7.813 -5.837 -15.631 1.00 25.52 H new ATOM 0 HD13 LEU A 19 7.065 -4.284 -15.189 1.00 25.52 H new ATOM 0 HD21 LEU A 19 6.364 -5.107 -12.304 1.00 52.44 H new ATOM 0 HD22 LEU A 19 5.234 -4.269 -13.395 1.00 52.44 H new ATOM 0 HD23 LEU A 19 4.765 -5.812 -12.643 1.00 52.44 H new ATOM 285 N VAL A 20 2.538 -6.031 -17.111 1.00 53.25 N ATOM 286 CA VAL A 20 1.910 -6.053 -18.427 1.00 74.01 C ATOM 287 C VAL A 20 1.146 -4.760 -18.694 1.00 24.54 C ATOM 288 O VAL A 20 1.236 -4.187 -19.779 1.00 74.43 O ATOM 289 CB VAL A 20 0.944 -7.245 -18.568 1.00 0.20 C ATOM 290 CG1 VAL A 20 -0.072 -6.982 -19.669 1.00 64.04 C ATOM 291 CG2 VAL A 20 1.717 -8.527 -18.839 1.00 12.23 C ATOM 0 H VAL A 20 2.256 -6.794 -16.496 1.00 53.25 H new ATOM 0 HA VAL A 20 2.712 -6.155 -19.158 1.00 74.01 H new ATOM 0 HB VAL A 20 0.403 -7.365 -17.629 1.00 0.20 H new ATOM 0 HG11 VAL A 20 -0.746 -7.835 -19.754 1.00 64.04 H new ATOM 0 HG12 VAL A 20 -0.647 -6.088 -19.428 1.00 64.04 H new ATOM 0 HG13 VAL A 20 0.448 -6.834 -20.616 1.00 64.04 H new ATOM 0 HG21 VAL A 20 1.019 -9.359 -18.936 1.00 12.23 H new ATOM 0 HG22 VAL A 20 2.285 -8.421 -19.763 1.00 12.23 H new ATOM 0 HG23 VAL A 20 2.401 -8.721 -18.013 1.00 12.23 H new ATOM 301 N SER A 21 0.396 -4.306 -17.695 1.00 21.11 N ATOM 302 CA SER A 21 -0.386 -3.082 -17.822 1.00 51.02 C ATOM 303 C SER A 21 0.519 -1.885 -18.098 1.00 30.11 C ATOM 304 O SER A 21 0.203 -1.033 -18.928 1.00 34.14 O ATOM 305 CB SER A 21 -1.201 -2.838 -16.550 1.00 43.45 C ATOM 306 OG SER A 21 -2.085 -3.915 -16.297 1.00 34.14 O ATOM 0 H SER A 21 0.313 -4.767 -16.789 1.00 21.11 H new ATOM 0 HA SER A 21 -1.068 -3.201 -18.664 1.00 51.02 H new ATOM 0 HB2 SER A 21 -0.528 -2.709 -15.702 1.00 43.45 H new ATOM 0 HB3 SER A 21 -1.769 -1.913 -16.650 1.00 43.45 H new ATOM 0 HG SER A 21 -1.834 -4.354 -15.458 1.00 34.14 H new ATOM 312 N GLN A 22 1.646 -1.829 -17.395 1.00 71.34 N ATOM 313 CA GLN A 22 2.597 -0.737 -17.563 1.00 51.25 C ATOM 314 C GLN A 22 3.061 -0.638 -19.013 1.00 3.42 C ATOM 315 O GLN A 22 2.996 0.429 -19.624 1.00 13.52 O ATOM 316 CB GLN A 22 3.802 -0.935 -16.642 1.00 14.01 C ATOM 317 CG GLN A 22 3.441 -0.952 -15.165 1.00 65.11 C ATOM 318 CD GLN A 22 2.416 0.104 -14.802 1.00 72.42 C ATOM 319 OE1 GLN A 22 1.219 -0.176 -14.730 1.00 31.23 O ATOM 320 NE2 GLN A 22 2.880 1.326 -14.572 1.00 3.05 N ATOM 0 H GLN A 22 1.922 -2.527 -16.704 1.00 71.34 H new ATOM 0 HA GLN A 22 2.095 0.193 -17.297 1.00 51.25 H new ATOM 0 HB2 GLN A 22 4.295 -1.873 -16.898 1.00 14.01 H new ATOM 0 HB3 GLN A 22 4.522 -0.137 -16.823 1.00 14.01 H new ATOM 0 HG2 GLN A 22 3.052 -1.936 -14.901 1.00 65.11 H new ATOM 0 HG3 GLN A 22 4.343 -0.796 -14.573 1.00 65.11 H new ATOM 0 HE21 GLN A 22 3.880 1.513 -14.643 1.00 3.05 H new ATOM 0 HE22 GLN A 22 2.236 2.078 -14.324 1.00 3.05 H new ATOM 329 N ILE A 23 3.530 -1.756 -19.556 1.00 45.53 N ATOM 330 CA ILE A 23 4.005 -1.794 -20.934 1.00 0.10 C ATOM 331 C ILE A 23 2.902 -1.393 -21.907 1.00 15.41 C ATOM 332 O ILE A 23 3.160 -0.745 -22.921 1.00 23.31 O ATOM 333 CB ILE A 23 4.523 -3.194 -21.312 1.00 42.02 C ATOM 334 CG1 ILE A 23 5.798 -3.518 -20.531 1.00 20.24 C ATOM 335 CG2 ILE A 23 4.778 -3.278 -22.810 1.00 11.22 C ATOM 336 CD1 ILE A 23 6.285 -4.936 -20.730 1.00 32.51 C ATOM 0 H ILE A 23 3.591 -2.647 -19.063 1.00 45.53 H new ATOM 0 HA ILE A 23 4.826 -1.080 -21.005 1.00 0.10 H new ATOM 0 HB ILE A 23 3.762 -3.929 -21.051 1.00 42.02 H new ATOM 0 HG12 ILE A 23 6.585 -2.827 -20.833 1.00 20.24 H new ATOM 0 HG13 ILE A 23 5.616 -3.350 -19.469 1.00 20.24 H new ATOM 0 HG21 ILE A 23 5.144 -4.274 -23.062 1.00 11.22 H new ATOM 0 HG22 ILE A 23 3.850 -3.086 -23.348 1.00 11.22 H new ATOM 0 HG23 ILE A 23 5.523 -2.535 -23.094 1.00 11.22 H new ATOM 0 HD11 ILE A 23 7.192 -5.094 -20.147 1.00 32.51 H new ATOM 0 HD12 ILE A 23 5.516 -5.634 -20.401 1.00 32.51 H new ATOM 0 HD13 ILE A 23 6.499 -5.102 -21.786 1.00 32.51 H new ATOM 348 N GLU A 24 1.670 -1.780 -21.589 1.00 62.33 N ATOM 349 CA GLU A 24 0.527 -1.460 -22.436 1.00 11.53 C ATOM 350 C GLU A 24 0.198 0.029 -22.364 1.00 74.22 C ATOM 351 O GLU A 24 -0.270 0.619 -23.338 1.00 10.51 O ATOM 352 CB GLU A 24 -0.693 -2.284 -22.017 1.00 44.45 C ATOM 353 CG GLU A 24 -1.481 -2.842 -23.190 1.00 53.41 C ATOM 354 CD GLU A 24 -2.855 -2.213 -23.321 1.00 71.11 C ATOM 355 OE1 GLU A 24 -2.953 -0.974 -23.202 1.00 54.34 O ATOM 356 OE2 GLU A 24 -3.831 -2.960 -23.542 1.00 12.21 O ATOM 0 H GLU A 24 1.439 -2.315 -20.752 1.00 62.33 H new ATOM 0 HA GLU A 24 0.788 -1.708 -23.465 1.00 11.53 H new ATOM 0 HB2 GLU A 24 -0.364 -3.109 -21.385 1.00 44.45 H new ATOM 0 HB3 GLU A 24 -1.351 -1.661 -21.411 1.00 44.45 H new ATOM 0 HG2 GLU A 24 -0.921 -2.678 -24.110 1.00 53.41 H new ATOM 0 HG3 GLU A 24 -1.589 -3.920 -23.071 1.00 53.41 H new ATOM 363 N ASP A 25 0.445 0.628 -21.205 1.00 15.14 N ATOM 364 CA ASP A 25 0.175 2.047 -21.005 1.00 2.32 C ATOM 365 C ASP A 25 1.188 2.904 -21.758 1.00 70.01 C ATOM 366 O ASP A 25 0.817 3.812 -22.502 1.00 31.53 O ATOM 367 CB ASP A 25 0.207 2.389 -19.514 1.00 44.54 C ATOM 368 CG ASP A 25 -0.415 3.739 -19.217 1.00 12.43 C ATOM 369 OD1 ASP A 25 -0.080 4.715 -19.921 1.00 33.25 O ATOM 370 OD2 ASP A 25 -1.237 3.821 -18.279 1.00 64.43 O ATOM 0 H ASP A 25 0.832 0.153 -20.389 1.00 15.14 H new ATOM 0 HA ASP A 25 -0.819 2.262 -21.398 1.00 2.32 H new ATOM 0 HB2 ASP A 25 -0.323 1.617 -18.956 1.00 44.54 H new ATOM 0 HB3 ASP A 25 1.240 2.383 -19.165 1.00 44.54 H new ATOM 375 N ALA A 26 2.469 2.609 -21.559 1.00 54.51 N ATOM 376 CA ALA A 26 3.535 3.352 -22.220 1.00 72.21 C ATOM 377 C ALA A 26 3.391 3.285 -23.737 1.00 4.32 C ATOM 378 O ALA A 26 3.545 4.291 -24.429 1.00 4.23 O ATOM 379 CB ALA A 26 4.894 2.817 -21.792 1.00 54.35 C ATOM 0 H ALA A 26 2.793 1.861 -20.946 1.00 54.51 H new ATOM 0 HA ALA A 26 3.457 4.397 -21.920 1.00 72.21 H new ATOM 0 HB1 ALA A 26 5.681 3.381 -22.293 1.00 54.35 H new ATOM 0 HB2 ALA A 26 5.003 2.922 -20.713 1.00 54.35 H new ATOM 0 HB3 ALA A 26 4.973 1.764 -22.064 1.00 54.35 H new ATOM 385 N MET A 27 3.096 2.094 -24.247 1.00 4.11 N ATOM 386 CA MET A 27 2.932 1.897 -25.683 1.00 11.45 C ATOM 387 C MET A 27 1.763 2.721 -26.214 1.00 4.42 C ATOM 388 O MET A 27 1.874 3.377 -27.250 1.00 24.10 O ATOM 389 CB MET A 27 2.710 0.416 -25.994 1.00 11.11 C ATOM 390 CG MET A 27 3.802 -0.194 -26.857 1.00 41.35 C ATOM 391 SD MET A 27 3.652 -1.984 -27.005 1.00 62.51 S ATOM 392 CE MET A 27 2.226 -2.117 -28.080 1.00 72.33 C ATOM 0 H MET A 27 2.966 1.251 -23.688 1.00 4.11 H new ATOM 0 HA MET A 27 3.844 2.232 -26.177 1.00 11.45 H new ATOM 0 HB2 MET A 27 2.647 -0.138 -25.057 1.00 11.11 H new ATOM 0 HB3 MET A 27 1.751 0.299 -26.499 1.00 11.11 H new ATOM 0 HG2 MET A 27 3.767 0.253 -27.851 1.00 41.35 H new ATOM 0 HG3 MET A 27 4.775 0.051 -26.432 1.00 41.35 H new ATOM 0 HE1 MET A 27 2.071 -3.161 -28.351 1.00 72.33 H new ATOM 0 HE2 MET A 27 1.343 -1.742 -27.562 1.00 72.33 H new ATOM 0 HE3 MET A 27 2.394 -1.529 -28.982 1.00 72.33 H new ATOM 402 N ARG A 28 0.644 2.683 -25.498 1.00 3.21 N ATOM 403 CA ARG A 28 -0.545 3.425 -25.899 1.00 1.32 C ATOM 404 C ARG A 28 -0.209 4.890 -26.161 1.00 44.34 C ATOM 405 O ARG A 28 -0.504 5.425 -27.230 1.00 72.35 O ATOM 406 CB ARG A 28 -1.623 3.324 -24.819 1.00 14.24 C ATOM 407 CG ARG A 28 -2.784 4.283 -25.025 1.00 52.33 C ATOM 408 CD ARG A 28 -4.122 3.567 -24.928 1.00 53.53 C ATOM 409 NE ARG A 28 -5.244 4.503 -24.918 1.00 21.21 N ATOM 410 CZ ARG A 28 -6.510 4.130 -24.769 1.00 12.11 C ATOM 411 NH1 ARG A 28 -6.814 2.848 -24.618 1.00 12.51 N ATOM 412 NH2 ARG A 28 -7.476 5.041 -24.770 1.00 65.40 N ATOM 0 H ARG A 28 0.536 2.146 -24.637 1.00 3.21 H new ATOM 0 HA ARG A 28 -0.922 2.986 -26.822 1.00 1.32 H new ATOM 0 HB2 ARG A 28 -2.006 2.304 -24.794 1.00 14.24 H new ATOM 0 HB3 ARG A 28 -1.170 3.518 -23.847 1.00 14.24 H new ATOM 0 HG2 ARG A 28 -2.739 5.076 -24.278 1.00 52.33 H new ATOM 0 HG3 ARG A 28 -2.695 4.759 -26.001 1.00 52.33 H new ATOM 0 HD2 ARG A 28 -4.229 2.882 -25.769 1.00 53.53 H new ATOM 0 HD3 ARG A 28 -4.145 2.963 -24.021 1.00 53.53 H new ATOM 0 HE ARG A 28 -5.044 5.497 -25.032 1.00 21.21 H new ATOM 0 HH11 ARG A 28 -6.075 2.145 -24.616 1.00 12.51 H new ATOM 0 HH12 ARG A 28 -7.787 2.565 -24.504 1.00 12.51 H new ATOM 0 HH21 ARG A 28 -7.246 6.028 -24.885 1.00 65.40 H new ATOM 0 HH22 ARG A 28 -8.448 4.754 -24.656 1.00 65.40 H new ATOM 426 N LYS A 29 0.411 5.535 -25.179 1.00 12.25 N ATOM 427 CA LYS A 29 0.789 6.938 -25.302 1.00 14.00 C ATOM 428 C LYS A 29 1.989 7.099 -26.229 1.00 24.43 C ATOM 429 O LYS A 29 2.215 8.172 -26.787 1.00 62.31 O ATOM 430 CB LYS A 29 1.111 7.524 -23.925 1.00 64.44 C ATOM 431 CG LYS A 29 0.339 8.792 -23.608 1.00 14.04 C ATOM 432 CD LYS A 29 0.548 9.226 -22.167 1.00 12.14 C ATOM 433 CE LYS A 29 0.300 10.717 -21.992 1.00 22.31 C ATOM 434 NZ LYS A 29 -1.010 10.988 -21.338 1.00 41.40 N ATOM 0 H LYS A 29 0.663 5.108 -24.288 1.00 12.25 H new ATOM 0 HA LYS A 29 -0.054 7.479 -25.731 1.00 14.00 H new ATOM 0 HB2 LYS A 29 0.895 6.777 -23.162 1.00 64.44 H new ATOM 0 HB3 LYS A 29 2.179 7.736 -23.870 1.00 64.44 H new ATOM 0 HG2 LYS A 29 0.657 9.590 -24.279 1.00 14.04 H new ATOM 0 HG3 LYS A 29 -0.723 8.627 -23.789 1.00 14.04 H new ATOM 0 HD2 LYS A 29 -0.123 8.666 -21.516 1.00 12.14 H new ATOM 0 HD3 LYS A 29 1.565 8.987 -21.858 1.00 12.14 H new ATOM 0 HE2 LYS A 29 1.101 11.151 -21.394 1.00 22.31 H new ATOM 0 HE3 LYS A 29 0.328 11.207 -22.965 1.00 22.31 H new ATOM 0 HZ1 LYS A 29 -1.142 12.015 -21.237 1.00 41.40 H new ATOM 0 HZ2 LYS A 29 -1.777 10.596 -21.921 1.00 41.40 H new ATOM 0 HZ3 LYS A 29 -1.028 10.542 -20.398 1.00 41.40 H new ATOM 448 N ALA A 30 2.756 6.025 -26.389 1.00 34.55 N ATOM 449 CA ALA A 30 3.931 6.046 -27.250 1.00 71.14 C ATOM 450 C ALA A 30 3.532 6.084 -28.722 1.00 20.42 C ATOM 451 O ALA A 30 4.311 6.506 -29.575 1.00 54.34 O ATOM 452 CB ALA A 30 4.812 4.837 -26.971 1.00 41.43 C ATOM 0 H ALA A 30 2.584 5.129 -25.933 1.00 34.55 H new ATOM 0 HA ALA A 30 4.496 6.952 -27.030 1.00 71.14 H new ATOM 0 HB1 ALA A 30 5.686 4.866 -27.622 1.00 41.43 H new ATOM 0 HB2 ALA A 30 5.134 4.854 -25.930 1.00 41.43 H new ATOM 0 HB3 ALA A 30 4.248 3.924 -27.162 1.00 41.43 H new ATOM 458 N GLY A 31 2.313 5.638 -29.012 1.00 23.24 N ATOM 459 CA GLY A 31 1.833 5.629 -30.381 1.00 60.40 C ATOM 460 C GLY A 31 2.785 4.921 -31.325 1.00 4.43 C ATOM 461 O GLY A 31 3.553 5.564 -32.041 1.00 53.33 O ATOM 0 H GLY A 31 1.650 5.283 -28.323 1.00 23.24 H new ATOM 0 HA2 GLY A 31 0.859 5.140 -30.418 1.00 60.40 H new ATOM 0 HA3 GLY A 31 1.688 6.655 -30.719 1.00 60.40 H new ATOM 563 N LYS A 39 0.217 -7.968 -24.569 1.00 23.42 N ATOM 564 CA LYS A 39 0.145 -9.280 -23.937 1.00 60.50 C ATOM 565 C LYS A 39 1.181 -10.229 -24.532 1.00 41.32 C ATOM 566 O LYS A 39 1.842 -10.974 -23.809 1.00 20.21 O ATOM 567 CB LYS A 39 -1.257 -9.872 -24.101 1.00 41.12 C ATOM 568 CG LYS A 39 -2.232 -9.434 -23.022 1.00 40.21 C ATOM 569 CD LYS A 39 -2.324 -10.459 -21.904 1.00 42.31 C ATOM 570 CE LYS A 39 -3.670 -10.395 -21.199 1.00 2.03 C ATOM 571 NZ LYS A 39 -3.978 -11.660 -20.476 1.00 60.35 N ATOM 0 HA LYS A 39 0.359 -9.156 -22.875 1.00 60.50 H new ATOM 0 HB2 LYS A 39 -1.652 -9.584 -25.075 1.00 41.12 H new ATOM 0 HB3 LYS A 39 -1.186 -10.960 -24.095 1.00 41.12 H new ATOM 0 HG2 LYS A 39 -1.916 -8.475 -22.612 1.00 40.21 H new ATOM 0 HG3 LYS A 39 -3.218 -9.284 -23.461 1.00 40.21 H new ATOM 0 HD2 LYS A 39 -2.173 -11.458 -22.312 1.00 42.31 H new ATOM 0 HD3 LYS A 39 -1.526 -10.285 -21.183 1.00 42.31 H new ATOM 0 HE2 LYS A 39 -3.671 -9.564 -20.494 1.00 2.03 H new ATOM 0 HE3 LYS A 39 -4.454 -10.194 -21.930 1.00 2.03 H new ATOM 0 HZ1 LYS A 39 -4.903 -11.576 -20.009 1.00 60.35 H new ATOM 0 HZ2 LYS A 39 -4.002 -12.450 -21.153 1.00 60.35 H new ATOM 0 HZ3 LYS A 39 -3.244 -11.839 -19.761 1.00 60.35 H new ATOM 585 N ASP A 40 1.318 -10.194 -25.853 1.00 43.10 N ATOM 586 CA ASP A 40 2.276 -11.049 -26.545 1.00 2.40 C ATOM 587 C ASP A 40 3.704 -10.565 -26.310 1.00 70.53 C ATOM 588 O ASP A 40 4.639 -11.364 -26.261 1.00 43.32 O ATOM 589 CB ASP A 40 1.975 -11.079 -28.044 1.00 72.02 C ATOM 590 CG ASP A 40 1.004 -12.182 -28.417 1.00 71.02 C ATOM 591 OD1 ASP A 40 1.425 -13.358 -28.449 1.00 14.31 O ATOM 592 OD2 ASP A 40 -0.177 -11.870 -28.677 1.00 1.24 O ATOM 0 H ASP A 40 0.778 -9.583 -26.466 1.00 43.10 H new ATOM 0 HA ASP A 40 2.182 -12.058 -26.143 1.00 2.40 H new ATOM 0 HB2 ASP A 40 1.562 -10.117 -28.348 1.00 72.02 H new ATOM 0 HB3 ASP A 40 2.905 -11.216 -28.596 1.00 72.02 H new ATOM 597 N MET A 41 3.863 -9.254 -26.167 1.00 45.11 N ATOM 598 CA MET A 41 5.178 -8.665 -25.938 1.00 14.24 C ATOM 599 C MET A 41 5.711 -9.045 -24.560 1.00 14.22 C ATOM 600 O MET A 41 6.821 -9.561 -24.435 1.00 54.21 O ATOM 601 CB MET A 41 5.107 -7.142 -26.068 1.00 64.10 C ATOM 602 CG MET A 41 5.532 -6.629 -27.434 1.00 40.04 C ATOM 603 SD MET A 41 4.178 -5.850 -28.335 1.00 61.44 S ATOM 604 CE MET A 41 5.017 -4.441 -29.055 1.00 13.31 C ATOM 0 H MET A 41 3.099 -8.579 -26.205 1.00 45.11 H new ATOM 0 HA MET A 41 5.861 -9.056 -26.693 1.00 14.24 H new ATOM 0 HB2 MET A 41 4.087 -6.816 -25.868 1.00 64.10 H new ATOM 0 HB3 MET A 41 5.742 -6.690 -25.306 1.00 64.10 H new ATOM 0 HG2 MET A 41 6.343 -5.911 -27.312 1.00 40.04 H new ATOM 0 HG3 MET A 41 5.926 -7.458 -28.023 1.00 40.04 H new ATOM 0 HE1 MET A 41 4.286 -3.783 -29.525 1.00 13.31 H new ATOM 0 HE2 MET A 41 5.547 -3.895 -28.274 1.00 13.31 H new ATOM 0 HE3 MET A 41 5.729 -4.786 -29.805 1.00 13.31 H new ATOM 614 N GLU A 42 4.912 -8.786 -23.529 1.00 40.40 N ATOM 615 CA GLU A 42 5.306 -9.100 -22.161 1.00 33.04 C ATOM 616 C GLU A 42 5.513 -10.602 -21.985 1.00 55.25 C ATOM 617 O GLU A 42 6.426 -11.036 -21.283 1.00 53.33 O ATOM 618 CB GLU A 42 4.247 -8.601 -21.175 1.00 23.55 C ATOM 619 CG GLU A 42 3.984 -7.108 -21.268 1.00 3.15 C ATOM 620 CD GLU A 42 2.541 -6.790 -21.609 1.00 5.34 C ATOM 621 OE1 GLU A 42 1.743 -7.738 -21.756 1.00 31.25 O ATOM 622 OE2 GLU A 42 2.211 -5.591 -21.728 1.00 63.12 O ATOM 0 H GLU A 42 3.989 -8.360 -23.615 1.00 40.40 H new ATOM 0 HA GLU A 42 6.250 -8.595 -21.957 1.00 33.04 H new ATOM 0 HB2 GLU A 42 3.315 -9.137 -21.354 1.00 23.55 H new ATOM 0 HB3 GLU A 42 4.564 -8.843 -20.161 1.00 23.55 H new ATOM 0 HG2 GLU A 42 4.241 -6.638 -20.319 1.00 3.15 H new ATOM 0 HG3 GLU A 42 4.637 -6.674 -22.026 1.00 3.15 H new ATOM 629 N SER A 43 4.657 -11.390 -22.629 1.00 2.02 N ATOM 630 CA SER A 43 4.743 -12.843 -22.541 1.00 75.13 C ATOM 631 C SER A 43 6.092 -13.340 -23.051 1.00 1.33 C ATOM 632 O SER A 43 6.739 -14.174 -22.417 1.00 62.21 O ATOM 633 CB SER A 43 3.612 -13.491 -23.343 1.00 41.34 C ATOM 634 OG SER A 43 2.497 -13.774 -22.516 1.00 23.50 O ATOM 0 H SER A 43 3.897 -11.047 -23.217 1.00 2.02 H new ATOM 0 HA SER A 43 4.644 -13.125 -21.493 1.00 75.13 H new ATOM 0 HB2 SER A 43 3.309 -12.827 -24.152 1.00 41.34 H new ATOM 0 HB3 SER A 43 3.970 -14.412 -23.804 1.00 41.34 H new ATOM 0 HG SER A 43 1.788 -14.186 -23.053 1.00 23.50 H new ATOM 640 N HIS A 44 6.511 -12.820 -24.200 1.00 62.34 N ATOM 641 CA HIS A 44 7.784 -13.210 -24.796 1.00 43.32 C ATOM 642 C HIS A 44 8.948 -12.841 -23.881 1.00 31.23 C ATOM 643 O HIS A 44 9.890 -13.616 -23.715 1.00 43.21 O ATOM 644 CB HIS A 44 7.960 -12.539 -26.159 1.00 21.01 C ATOM 645 CG HIS A 44 9.216 -12.943 -26.868 1.00 4.55 C ATOM 646 ND1 HIS A 44 9.354 -14.144 -27.530 1.00 21.12 N ATOM 647 CD2 HIS A 44 10.396 -12.295 -27.017 1.00 33.25 C ATOM 648 CE1 HIS A 44 10.564 -14.219 -28.054 1.00 24.20 C ATOM 649 NE2 HIS A 44 11.216 -13.110 -27.757 1.00 45.44 N ATOM 0 H HIS A 44 5.988 -12.128 -24.737 1.00 62.34 H new ATOM 0 HA HIS A 44 7.778 -14.292 -24.930 1.00 43.32 H new ATOM 0 HB2 HIS A 44 7.103 -12.782 -26.788 1.00 21.01 H new ATOM 0 HB3 HIS A 44 7.960 -11.457 -26.025 1.00 21.01 H new ATOM 0 HD2 HIS A 44 10.645 -11.319 -26.627 1.00 33.25 H new ATOM 0 HE1 HIS A 44 10.954 -15.047 -28.628 1.00 24.20 H new ATOM 0 HE2 HIS A 44 12.174 -12.894 -28.033 1.00 45.44 H new ATOM 657 N VAL A 45 8.876 -11.653 -23.289 1.00 33.22 N ATOM 658 CA VAL A 45 9.922 -11.182 -22.390 1.00 5.00 C ATOM 659 C VAL A 45 10.122 -12.146 -21.226 1.00 2.11 C ATOM 660 O VAL A 45 11.253 -12.441 -20.837 1.00 74.44 O ATOM 661 CB VAL A 45 9.597 -9.783 -21.834 1.00 31.13 C ATOM 662 CG1 VAL A 45 10.780 -9.230 -21.054 1.00 51.40 C ATOM 663 CG2 VAL A 45 9.203 -8.840 -22.961 1.00 33.52 C ATOM 0 H VAL A 45 8.104 -10.999 -23.416 1.00 33.22 H new ATOM 0 HA VAL A 45 10.840 -11.128 -22.975 1.00 5.00 H new ATOM 0 HB VAL A 45 8.751 -9.870 -21.152 1.00 31.13 H new ATOM 0 HG11 VAL A 45 10.532 -8.241 -20.669 1.00 51.40 H new ATOM 0 HG12 VAL A 45 11.011 -9.896 -20.222 1.00 51.40 H new ATOM 0 HG13 VAL A 45 11.647 -9.156 -21.711 1.00 51.40 H new ATOM 0 HG21 VAL A 45 8.977 -7.856 -22.550 1.00 33.52 H new ATOM 0 HG22 VAL A 45 10.027 -8.756 -23.670 1.00 33.52 H new ATOM 0 HG23 VAL A 45 8.323 -9.231 -23.472 1.00 33.52 H new ATOM 673 N PHE A 46 9.017 -12.634 -20.673 1.00 31.12 N ATOM 674 CA PHE A 46 9.070 -13.565 -19.552 1.00 20.32 C ATOM 675 C PHE A 46 9.776 -14.858 -19.951 1.00 43.52 C ATOM 676 O PHE A 46 10.791 -15.232 -19.362 1.00 2.32 O ATOM 677 CB PHE A 46 7.658 -13.876 -19.052 1.00 74.23 C ATOM 678 CG PHE A 46 7.621 -14.397 -17.644 1.00 11.11 C ATOM 679 CD1 PHE A 46 8.019 -15.693 -17.360 1.00 24.02 C ATOM 680 CD2 PHE A 46 7.187 -13.590 -16.604 1.00 63.11 C ATOM 681 CE1 PHE A 46 7.987 -16.175 -16.065 1.00 23.32 C ATOM 682 CE2 PHE A 46 7.153 -14.067 -15.307 1.00 45.42 C ATOM 683 CZ PHE A 46 7.553 -15.361 -15.037 1.00 73.14 C ATOM 0 H PHE A 46 8.074 -12.400 -20.983 1.00 31.12 H new ATOM 0 HA PHE A 46 9.637 -13.095 -18.749 1.00 20.32 H new ATOM 0 HB2 PHE A 46 7.053 -12.972 -19.112 1.00 74.23 H new ATOM 0 HB3 PHE A 46 7.200 -14.610 -19.715 1.00 74.23 H new ATOM 0 HD1 PHE A 46 8.358 -16.334 -18.160 1.00 24.02 H new ATOM 0 HD2 PHE A 46 6.872 -12.578 -16.809 1.00 63.11 H new ATOM 0 HE1 PHE A 46 8.301 -17.187 -15.857 1.00 23.32 H new ATOM 0 HE2 PHE A 46 6.814 -13.428 -14.505 1.00 45.42 H new ATOM 0 HZ PHE A 46 7.527 -15.736 -14.024 1.00 73.14 H new ATOM 693 N LEU A 47 9.232 -15.536 -20.956 1.00 4.34 N ATOM 694 CA LEU A 47 9.809 -16.787 -21.435 1.00 20.12 C ATOM 695 C LEU A 47 11.242 -16.578 -21.914 1.00 20.11 C ATOM 696 O LEU A 47 12.028 -17.523 -21.988 1.00 74.21 O ATOM 697 CB LEU A 47 8.959 -17.362 -22.569 1.00 53.11 C ATOM 698 CG LEU A 47 7.670 -18.071 -22.149 1.00 44.43 C ATOM 699 CD1 LEU A 47 6.584 -17.866 -23.194 1.00 21.03 C ATOM 700 CD2 LEU A 47 7.926 -19.554 -21.926 1.00 60.15 C ATOM 0 H LEU A 47 8.393 -15.240 -21.455 1.00 4.34 H new ATOM 0 HA LEU A 47 9.823 -17.493 -20.605 1.00 20.12 H new ATOM 0 HB2 LEU A 47 8.699 -16.550 -23.249 1.00 53.11 H new ATOM 0 HB3 LEU A 47 9.570 -18.066 -23.133 1.00 53.11 H new ATOM 0 HG LEU A 47 7.328 -17.637 -21.210 1.00 44.43 H new ATOM 0 HD11 LEU A 47 5.674 -18.377 -22.879 1.00 21.03 H new ATOM 0 HD12 LEU A 47 6.382 -16.801 -23.304 1.00 21.03 H new ATOM 0 HD13 LEU A 47 6.916 -18.273 -24.149 1.00 21.03 H new ATOM 0 HD21 LEU A 47 6.998 -20.043 -21.628 1.00 60.15 H new ATOM 0 HD22 LEU A 47 8.292 -20.003 -22.849 1.00 60.15 H new ATOM 0 HD23 LEU A 47 8.671 -19.681 -21.141 1.00 60.15 H new ATOM 712 N LYS A 48 11.577 -15.333 -22.236 1.00 71.43 N ATOM 713 CA LYS A 48 12.916 -14.998 -22.705 1.00 3.11 C ATOM 714 C LYS A 48 13.837 -14.673 -21.533 1.00 63.41 C ATOM 715 O LYS A 48 15.058 -14.785 -21.642 1.00 10.13 O ATOM 716 CB LYS A 48 12.859 -13.809 -23.667 1.00 64.20 C ATOM 717 CG LYS A 48 14.226 -13.257 -24.033 1.00 2.45 C ATOM 718 CD LYS A 48 14.210 -12.587 -25.396 1.00 65.15 C ATOM 719 CE LYS A 48 15.524 -11.877 -25.684 1.00 4.11 C ATOM 720 NZ LYS A 48 15.817 -11.822 -27.143 1.00 4.31 N ATOM 0 H LYS A 48 10.939 -14.539 -22.181 1.00 71.43 H new ATOM 0 HA LYS A 48 13.317 -15.864 -23.231 1.00 3.11 H new ATOM 0 HB2 LYS A 48 12.344 -14.114 -24.578 1.00 64.20 H new ATOM 0 HB3 LYS A 48 12.265 -13.015 -23.215 1.00 64.20 H new ATOM 0 HG2 LYS A 48 14.544 -12.539 -23.277 1.00 2.45 H new ATOM 0 HG3 LYS A 48 14.958 -14.065 -24.032 1.00 2.45 H new ATOM 0 HD2 LYS A 48 14.022 -13.334 -26.167 1.00 65.15 H new ATOM 0 HD3 LYS A 48 13.390 -11.870 -25.440 1.00 65.15 H new ATOM 0 HE2 LYS A 48 15.485 -10.864 -25.283 1.00 4.11 H new ATOM 0 HE3 LYS A 48 16.335 -12.392 -25.170 1.00 4.11 H new ATOM 0 HZ1 LYS A 48 16.720 -11.331 -27.297 1.00 4.31 H new ATOM 0 HZ2 LYS A 48 15.880 -12.789 -27.521 1.00 4.31 H new ATOM 0 HZ3 LYS A 48 15.056 -11.308 -27.631 1.00 4.31 H new ATOM 734 N ALA A 49 13.244 -14.273 -20.413 1.00 40.13 N ATOM 735 CA ALA A 49 14.011 -13.936 -19.221 1.00 3.03 C ATOM 736 C ALA A 49 14.356 -15.186 -18.418 1.00 75.01 C ATOM 737 O ALA A 49 13.664 -16.201 -18.503 1.00 63.32 O ATOM 738 CB ALA A 49 13.239 -12.948 -18.358 1.00 64.51 C ATOM 0 H ALA A 49 12.234 -14.175 -20.307 1.00 40.13 H new ATOM 0 HA ALA A 49 14.944 -13.472 -19.539 1.00 3.03 H new ATOM 0 HB1 ALA A 49 13.824 -12.705 -17.471 1.00 64.51 H new ATOM 0 HB2 ALA A 49 13.049 -12.038 -18.928 1.00 64.51 H new ATOM 0 HB3 ALA A 49 12.290 -13.392 -18.057 1.00 64.51 H new ATOM 744 N LYS A 50 15.429 -15.106 -17.639 1.00 32.22 N ATOM 745 CA LYS A 50 15.866 -16.231 -16.820 1.00 14.43 C ATOM 746 C LYS A 50 15.512 -16.005 -15.353 1.00 61.11 C ATOM 747 O LYS A 50 15.367 -16.957 -14.585 1.00 4.43 O ATOM 748 CB LYS A 50 17.375 -16.438 -16.965 1.00 73.55 C ATOM 749 CG LYS A 50 17.745 -17.572 -17.907 1.00 15.14 C ATOM 750 CD LYS A 50 17.868 -17.087 -19.341 1.00 70.45 C ATOM 751 CE LYS A 50 17.688 -18.228 -20.332 1.00 42.41 C ATOM 752 NZ LYS A 50 16.327 -18.229 -20.935 1.00 53.22 N ATOM 0 H LYS A 50 16.013 -14.273 -17.557 1.00 32.22 H new ATOM 0 HA LYS A 50 15.348 -17.125 -17.168 1.00 14.43 H new ATOM 0 HB2 LYS A 50 17.827 -15.514 -17.326 1.00 73.55 H new ATOM 0 HB3 LYS A 50 17.802 -16.639 -15.982 1.00 73.55 H new ATOM 0 HG2 LYS A 50 18.688 -18.016 -17.590 1.00 15.14 H new ATOM 0 HG3 LYS A 50 16.989 -18.355 -17.850 1.00 15.14 H new ATOM 0 HD2 LYS A 50 17.121 -16.317 -19.531 1.00 70.45 H new ATOM 0 HD3 LYS A 50 18.845 -16.626 -19.488 1.00 70.45 H new ATOM 0 HE2 LYS A 50 18.435 -18.145 -21.121 1.00 42.41 H new ATOM 0 HE3 LYS A 50 17.862 -19.178 -19.827 1.00 42.41 H new ATOM 0 HZ1 LYS A 50 16.244 -19.021 -21.604 1.00 53.22 H new ATOM 0 HZ2 LYS A 50 15.615 -18.334 -20.184 1.00 53.22 H new ATOM 0 HZ3 LYS A 50 16.170 -17.333 -21.438 1.00 53.22 H new ATOM 766 N THR A 51 15.373 -14.740 -14.970 1.00 53.54 N ATOM 767 CA THR A 51 15.036 -14.389 -13.596 1.00 72.34 C ATOM 768 C THR A 51 14.236 -13.093 -13.540 1.00 1.22 C ATOM 769 O THR A 51 14.106 -12.388 -14.541 1.00 61.41 O ATOM 770 CB THR A 51 16.300 -14.238 -12.729 1.00 53.22 C ATOM 771 OG1 THR A 51 17.088 -13.139 -13.200 1.00 62.21 O ATOM 772 CG2 THR A 51 17.130 -15.512 -12.755 1.00 72.32 C ATOM 0 H THR A 51 15.489 -13.941 -15.593 1.00 53.54 H new ATOM 0 HA THR A 51 14.429 -15.204 -13.201 1.00 72.34 H new ATOM 0 HB THR A 51 15.989 -14.048 -11.702 1.00 53.22 H new ATOM 0 HG1 THR A 51 17.889 -13.048 -12.643 1.00 62.21 H new ATOM 0 HG21 THR A 51 18.017 -15.381 -12.136 1.00 72.32 H new ATOM 0 HG22 THR A 51 16.537 -16.341 -12.368 1.00 72.32 H new ATOM 0 HG23 THR A 51 17.432 -15.729 -13.780 1.00 72.32 H new ATOM 780 N ARG A 52 13.702 -12.783 -12.363 1.00 5.03 N ATOM 781 CA ARG A 52 12.915 -11.570 -12.176 1.00 73.43 C ATOM 782 C ARG A 52 13.690 -10.341 -12.642 1.00 21.42 C ATOM 783 O ARG A 52 13.100 -9.343 -13.056 1.00 25.21 O ATOM 784 CB ARG A 52 12.522 -11.413 -10.706 1.00 45.41 C ATOM 785 CG ARG A 52 13.674 -10.987 -9.811 1.00 5.42 C ATOM 786 CD ARG A 52 13.267 -10.975 -8.346 1.00 33.32 C ATOM 787 NE ARG A 52 14.294 -11.559 -7.487 1.00 72.33 N ATOM 788 CZ ARG A 52 14.587 -12.855 -7.469 1.00 13.21 C ATOM 789 NH1 ARG A 52 13.934 -13.697 -8.258 1.00 42.33 N ATOM 790 NH2 ARG A 52 15.535 -13.310 -6.660 1.00 34.52 N ATOM 0 H ARG A 52 13.800 -13.355 -11.524 1.00 5.03 H new ATOM 0 HA ARG A 52 12.011 -11.657 -12.779 1.00 73.43 H new ATOM 0 HB2 ARG A 52 11.722 -10.677 -10.629 1.00 45.41 H new ATOM 0 HB3 ARG A 52 12.121 -12.359 -10.343 1.00 45.41 H new ATOM 0 HG2 ARG A 52 14.515 -11.666 -9.950 1.00 5.42 H new ATOM 0 HG3 ARG A 52 14.015 -9.994 -10.103 1.00 5.42 H new ATOM 0 HD2 ARG A 52 13.073 -9.949 -8.032 1.00 33.32 H new ATOM 0 HD3 ARG A 52 12.335 -11.528 -8.224 1.00 33.32 H new ATOM 0 HE ARG A 52 14.815 -10.938 -6.867 1.00 72.33 H new ATOM 0 HH11 ARG A 52 13.205 -13.350 -8.881 1.00 42.33 H new ATOM 0 HH12 ARG A 52 14.161 -14.691 -8.242 1.00 42.33 H new ATOM 0 HH21 ARG A 52 16.039 -12.665 -6.052 1.00 34.52 H new ATOM 0 HH22 ARG A 52 15.760 -14.305 -6.646 1.00 34.52 H new ATOM 804 N ASP A 53 15.014 -10.422 -12.570 1.00 42.30 N ATOM 805 CA ASP A 53 15.871 -9.317 -12.984 1.00 53.44 C ATOM 806 C ASP A 53 15.865 -9.164 -14.502 1.00 63.43 C ATOM 807 O ASP A 53 15.641 -8.073 -15.025 1.00 32.22 O ATOM 808 CB ASP A 53 17.300 -9.537 -12.487 1.00 1.34 C ATOM 809 CG ASP A 53 18.280 -8.547 -13.085 1.00 3.24 C ATOM 810 OD1 ASP A 53 18.313 -7.389 -12.618 1.00 73.10 O ATOM 811 OD2 ASP A 53 19.014 -8.930 -14.020 1.00 5.42 O ATOM 0 H ASP A 53 15.517 -11.241 -12.229 1.00 42.30 H new ATOM 0 HA ASP A 53 15.479 -8.401 -12.543 1.00 53.44 H new ATOM 0 HB2 ASP A 53 17.321 -9.453 -11.400 1.00 1.34 H new ATOM 0 HB3 ASP A 53 17.616 -10.551 -12.734 1.00 1.34 H new ATOM 816 N GLU A 54 16.115 -10.266 -15.203 1.00 40.14 N ATOM 817 CA GLU A 54 16.141 -10.253 -16.661 1.00 74.23 C ATOM 818 C GLU A 54 14.866 -9.630 -17.222 1.00 53.14 C ATOM 819 O GLU A 54 14.919 -8.726 -18.057 1.00 31.21 O ATOM 820 CB GLU A 54 16.308 -11.675 -17.203 1.00 14.51 C ATOM 821 CG GLU A 54 16.694 -11.725 -18.672 1.00 10.34 C ATOM 822 CD GLU A 54 17.463 -12.982 -19.030 1.00 15.20 C ATOM 823 OE1 GLU A 54 18.285 -13.431 -18.205 1.00 12.24 O ATOM 824 OE2 GLU A 54 17.241 -13.517 -20.137 1.00 12.53 O ATOM 0 H GLU A 54 16.302 -11.178 -14.785 1.00 40.14 H new ATOM 0 HA GLU A 54 16.991 -9.649 -16.978 1.00 74.23 H new ATOM 0 HB2 GLU A 54 17.070 -12.191 -16.618 1.00 14.51 H new ATOM 0 HB3 GLU A 54 15.375 -12.220 -17.062 1.00 14.51 H new ATOM 0 HG2 GLU A 54 15.793 -11.668 -19.283 1.00 10.34 H new ATOM 0 HG3 GLU A 54 17.299 -10.852 -18.915 1.00 10.34 H new ATOM 831 N TYR A 55 13.721 -10.120 -16.759 1.00 4.43 N ATOM 832 CA TYR A 55 12.433 -9.614 -17.216 1.00 15.43 C ATOM 833 C TYR A 55 12.271 -8.138 -16.864 1.00 50.23 C ATOM 834 O TYR A 55 12.081 -7.295 -17.742 1.00 71.25 O ATOM 835 CB TYR A 55 11.294 -10.425 -16.595 1.00 54.44 C ATOM 836 CG TYR A 55 9.926 -9.824 -16.829 1.00 74.52 C ATOM 837 CD1 TYR A 55 9.256 -10.020 -18.031 1.00 33.52 C ATOM 838 CD2 TYR A 55 9.303 -9.061 -15.850 1.00 5.35 C ATOM 839 CE1 TYR A 55 8.006 -9.474 -18.249 1.00 41.53 C ATOM 840 CE2 TYR A 55 8.053 -8.511 -16.059 1.00 25.33 C ATOM 841 CZ TYR A 55 7.409 -8.720 -17.260 1.00 70.21 C ATOM 842 OH TYR A 55 6.164 -8.173 -17.473 1.00 23.31 O ATOM 0 H TYR A 55 13.659 -10.867 -16.067 1.00 4.43 H new ATOM 0 HA TYR A 55 12.395 -9.717 -18.300 1.00 15.43 H new ATOM 0 HB2 TYR A 55 11.313 -11.435 -17.004 1.00 54.44 H new ATOM 0 HB3 TYR A 55 11.465 -10.513 -15.522 1.00 54.44 H new ATOM 0 HD1 TYR A 55 9.721 -10.609 -18.808 1.00 33.52 H new ATOM 0 HD2 TYR A 55 9.805 -8.895 -14.908 1.00 5.35 H new ATOM 0 HE1 TYR A 55 7.499 -9.637 -19.189 1.00 41.53 H new ATOM 0 HE2 TYR A 55 7.583 -7.921 -15.286 1.00 25.33 H new ATOM 0 HH TYR A 55 5.536 -8.518 -16.804 1.00 23.31 H new ATOM 852 N LEU A 56 12.349 -7.832 -15.574 1.00 14.01 N ATOM 853 CA LEU A 56 12.212 -6.458 -15.104 1.00 1.33 C ATOM 854 C LEU A 56 13.141 -5.524 -15.873 1.00 24.21 C ATOM 855 O LEU A 56 12.839 -4.345 -16.058 1.00 22.32 O ATOM 856 CB LEU A 56 12.515 -6.378 -13.606 1.00 40.45 C ATOM 857 CG LEU A 56 11.348 -6.688 -12.668 1.00 43.31 C ATOM 858 CD1 LEU A 56 11.852 -7.323 -11.382 1.00 23.33 C ATOM 859 CD2 LEU A 56 10.556 -5.424 -12.366 1.00 44.20 C ATOM 0 H LEU A 56 12.506 -8.517 -14.835 1.00 14.01 H new ATOM 0 HA LEU A 56 11.184 -6.141 -15.278 1.00 1.33 H new ATOM 0 HB2 LEU A 56 13.328 -7.069 -13.383 1.00 40.45 H new ATOM 0 HB3 LEU A 56 12.878 -5.375 -13.382 1.00 40.45 H new ATOM 0 HG LEU A 56 10.686 -7.397 -13.165 1.00 43.31 H new ATOM 0 HD11 LEU A 56 11.008 -7.537 -10.727 1.00 23.33 H new ATOM 0 HD12 LEU A 56 12.375 -8.251 -11.615 1.00 23.33 H new ATOM 0 HD13 LEU A 56 12.536 -6.637 -10.881 1.00 23.33 H new ATOM 0 HD21 LEU A 56 9.729 -5.664 -11.697 1.00 44.20 H new ATOM 0 HD22 LEU A 56 11.208 -4.691 -11.890 1.00 44.20 H new ATOM 0 HD23 LEU A 56 10.163 -5.010 -13.295 1.00 44.20 H new ATOM 871 N SER A 57 14.272 -6.060 -16.321 1.00 23.34 N ATOM 872 CA SER A 57 15.247 -5.275 -17.069 1.00 12.23 C ATOM 873 C SER A 57 14.767 -5.031 -18.496 1.00 51.42 C ATOM 874 O SER A 57 14.672 -3.887 -18.945 1.00 34.33 O ATOM 875 CB SER A 57 16.600 -5.987 -17.089 1.00 25.44 C ATOM 876 OG SER A 57 17.635 -5.106 -17.490 1.00 71.02 O ATOM 0 H SER A 57 14.536 -7.035 -16.179 1.00 23.34 H new ATOM 0 HA SER A 57 15.359 -4.312 -16.572 1.00 12.23 H new ATOM 0 HB2 SER A 57 16.820 -6.384 -16.098 1.00 25.44 H new ATOM 0 HB3 SER A 57 16.557 -6.837 -17.771 1.00 25.44 H new ATOM 0 HG SER A 57 18.490 -5.585 -17.493 1.00 71.02 H new ATOM 882 N LEU A 58 14.466 -6.113 -19.206 1.00 11.45 N ATOM 883 CA LEU A 58 13.995 -6.018 -20.583 1.00 43.11 C ATOM 884 C LEU A 58 12.709 -5.202 -20.664 1.00 42.14 C ATOM 885 O LEU A 58 12.501 -4.445 -21.613 1.00 13.25 O ATOM 886 CB LEU A 58 13.764 -7.415 -21.161 1.00 34.21 C ATOM 887 CG LEU A 58 15.003 -8.300 -21.295 1.00 23.31 C ATOM 888 CD1 LEU A 58 14.672 -9.571 -22.063 1.00 12.55 C ATOM 889 CD2 LEU A 58 16.130 -7.540 -21.979 1.00 51.12 C ATOM 0 H LEU A 58 14.540 -7.066 -18.851 1.00 11.45 H new ATOM 0 HA LEU A 58 14.762 -5.511 -21.169 1.00 43.11 H new ATOM 0 HB2 LEU A 58 13.040 -7.932 -20.531 1.00 34.21 H new ATOM 0 HB3 LEU A 58 13.310 -7.308 -22.146 1.00 34.21 H new ATOM 0 HG LEU A 58 15.335 -8.580 -20.295 1.00 23.31 H new ATOM 0 HD11 LEU A 58 15.566 -10.188 -22.148 1.00 12.55 H new ATOM 0 HD12 LEU A 58 13.898 -10.125 -21.533 1.00 12.55 H new ATOM 0 HD13 LEU A 58 14.314 -9.311 -23.059 1.00 12.55 H new ATOM 0 HD21 LEU A 58 17.004 -8.186 -22.066 1.00 51.12 H new ATOM 0 HD22 LEU A 58 15.808 -7.229 -22.973 1.00 51.12 H new ATOM 0 HD23 LEU A 58 16.386 -6.660 -21.389 1.00 51.12 H new ATOM 901 N VAL A 59 11.850 -5.360 -19.662 1.00 50.45 N ATOM 902 CA VAL A 59 10.585 -4.635 -19.618 1.00 65.15 C ATOM 903 C VAL A 59 10.817 -3.134 -19.490 1.00 55.32 C ATOM 904 O VAL A 59 10.366 -2.352 -20.328 1.00 24.35 O ATOM 905 CB VAL A 59 9.707 -5.110 -18.446 1.00 72.31 C ATOM 906 CG1 VAL A 59 8.418 -4.305 -18.384 1.00 71.10 C ATOM 907 CG2 VAL A 59 9.411 -6.597 -18.571 1.00 71.21 C ATOM 0 H VAL A 59 12.007 -5.983 -18.870 1.00 50.45 H new ATOM 0 HA VAL A 59 10.068 -4.841 -20.555 1.00 65.15 H new ATOM 0 HB VAL A 59 10.253 -4.948 -17.517 1.00 72.31 H new ATOM 0 HG11 VAL A 59 7.810 -4.655 -17.550 1.00 71.10 H new ATOM 0 HG12 VAL A 59 8.654 -3.250 -18.244 1.00 71.10 H new ATOM 0 HG13 VAL A 59 7.864 -4.432 -19.314 1.00 71.10 H new ATOM 0 HG21 VAL A 59 8.789 -6.916 -17.734 1.00 71.21 H new ATOM 0 HG22 VAL A 59 8.885 -6.786 -19.507 1.00 71.21 H new ATOM 0 HG23 VAL A 59 10.347 -7.156 -18.562 1.00 71.21 H new ATOM 917 N ALA A 60 11.522 -2.737 -18.436 1.00 32.11 N ATOM 918 CA ALA A 60 11.815 -1.329 -18.199 1.00 23.22 C ATOM 919 C ALA A 60 12.382 -0.668 -19.451 1.00 31.22 C ATOM 920 O ALA A 60 11.853 0.336 -19.928 1.00 34.22 O ATOM 921 CB ALA A 60 12.785 -1.181 -17.036 1.00 44.32 C ATOM 0 H ALA A 60 11.901 -3.371 -17.732 1.00 32.11 H new ATOM 0 HA ALA A 60 10.882 -0.826 -17.946 1.00 23.22 H new ATOM 0 HB1 ALA A 60 12.995 -0.124 -16.870 1.00 44.32 H new ATOM 0 HB2 ALA A 60 12.342 -1.609 -16.136 1.00 44.32 H new ATOM 0 HB3 ALA A 60 13.713 -1.704 -17.268 1.00 44.32 H new ATOM 927 N ARG A 61 13.461 -1.237 -19.978 1.00 21.22 N ATOM 928 CA ARG A 61 14.101 -0.701 -21.174 1.00 35.45 C ATOM 929 C ARG A 61 13.077 -0.478 -22.283 1.00 65.14 C ATOM 930 O ARG A 61 13.077 0.563 -22.942 1.00 12.14 O ATOM 931 CB ARG A 61 15.198 -1.650 -21.660 1.00 35.32 C ATOM 932 CG ARG A 61 16.419 -0.936 -22.215 1.00 11.23 C ATOM 933 CD ARG A 61 17.463 -1.923 -22.714 1.00 54.40 C ATOM 934 NE ARG A 61 17.109 -2.481 -24.016 1.00 61.04 N ATOM 935 CZ ARG A 61 17.179 -1.797 -25.153 1.00 10.22 C ATOM 936 NH1 ARG A 61 17.588 -0.536 -25.147 1.00 54.41 N ATOM 937 NH2 ARG A 61 16.840 -2.375 -26.298 1.00 41.53 N ATOM 0 H ARG A 61 13.911 -2.069 -19.596 1.00 21.22 H new ATOM 0 HA ARG A 61 14.549 0.259 -20.918 1.00 35.45 H new ATOM 0 HB2 ARG A 61 15.506 -2.289 -20.833 1.00 35.32 H new ATOM 0 HB3 ARG A 61 14.787 -2.302 -22.431 1.00 35.32 H new ATOM 0 HG2 ARG A 61 16.118 -0.279 -23.031 1.00 11.23 H new ATOM 0 HG3 ARG A 61 16.855 -0.304 -21.442 1.00 11.23 H new ATOM 0 HD2 ARG A 61 18.430 -1.424 -22.784 1.00 54.40 H new ATOM 0 HD3 ARG A 61 17.573 -2.731 -21.991 1.00 54.40 H new ATOM 0 HE ARG A 61 16.790 -3.449 -24.055 1.00 61.04 H new ATOM 0 HH11 ARG A 61 17.850 -0.089 -24.268 1.00 54.41 H new ATOM 0 HH12 ARG A 61 17.641 -0.013 -26.021 1.00 54.41 H new ATOM 0 HH21 ARG A 61 16.525 -3.345 -26.306 1.00 41.53 H new ATOM 0 HH22 ARG A 61 16.894 -1.849 -27.170 1.00 41.53 H new ATOM 951 N LEU A 62 12.208 -1.462 -22.486 1.00 42.11 N ATOM 952 CA LEU A 62 11.179 -1.374 -23.517 1.00 5.42 C ATOM 953 C LEU A 62 10.279 -0.164 -23.286 1.00 24.13 C ATOM 954 O LEU A 62 10.098 0.666 -24.177 1.00 11.02 O ATOM 955 CB LEU A 62 10.340 -2.652 -23.538 1.00 33.03 C ATOM 956 CG LEU A 62 9.146 -2.656 -24.494 1.00 3.43 C ATOM 957 CD1 LEU A 62 9.129 -3.932 -25.321 1.00 51.50 C ATOM 958 CD2 LEU A 62 7.844 -2.500 -23.722 1.00 21.53 C ATOM 0 H LEU A 62 12.195 -2.330 -21.951 1.00 42.11 H new ATOM 0 HA LEU A 62 11.674 -1.256 -24.481 1.00 5.42 H new ATOM 0 HB2 LEU A 62 10.991 -3.486 -23.799 1.00 33.03 H new ATOM 0 HB3 LEU A 62 9.972 -2.838 -22.529 1.00 33.03 H new ATOM 0 HG LEU A 62 9.245 -1.809 -25.173 1.00 3.43 H new ATOM 0 HD11 LEU A 62 8.273 -3.917 -25.995 1.00 51.50 H new ATOM 0 HD12 LEU A 62 10.048 -4.001 -25.903 1.00 51.50 H new ATOM 0 HD13 LEU A 62 9.054 -4.794 -24.658 1.00 51.50 H new ATOM 0 HD21 LEU A 62 7.005 -2.505 -24.418 1.00 21.53 H new ATOM 0 HD22 LEU A 62 7.737 -3.326 -23.019 1.00 21.53 H new ATOM 0 HD23 LEU A 62 7.856 -1.557 -23.175 1.00 21.53 H new ATOM 970 N ILE A 63 9.720 -0.070 -22.084 1.00 23.20 N ATOM 971 CA ILE A 63 8.842 1.040 -21.735 1.00 62.41 C ATOM 972 C ILE A 63 9.558 2.377 -21.891 1.00 40.02 C ATOM 973 O ILE A 63 9.042 3.299 -22.524 1.00 33.40 O ATOM 974 CB ILE A 63 8.323 0.914 -20.291 1.00 35.22 C ATOM 975 CG1 ILE A 63 7.263 -0.187 -20.201 1.00 3.32 C ATOM 976 CG2 ILE A 63 7.755 2.243 -19.814 1.00 63.34 C ATOM 977 CD1 ILE A 63 6.821 -0.485 -18.785 1.00 73.04 C ATOM 0 H ILE A 63 9.860 -0.749 -21.336 1.00 23.20 H new ATOM 0 HA ILE A 63 7.996 1.001 -22.421 1.00 62.41 H new ATOM 0 HB ILE A 63 9.157 0.644 -19.643 1.00 35.22 H new ATOM 0 HG12 ILE A 63 6.394 0.107 -20.790 1.00 3.32 H new ATOM 0 HG13 ILE A 63 7.658 -1.099 -20.649 1.00 3.32 H new ATOM 0 HG21 ILE A 63 7.392 2.138 -18.792 1.00 63.34 H new ATOM 0 HG22 ILE A 63 8.534 3.004 -19.846 1.00 63.34 H new ATOM 0 HG23 ILE A 63 6.931 2.540 -20.463 1.00 63.34 H new ATOM 0 HD11 ILE A 63 6.069 -1.274 -18.797 1.00 73.04 H new ATOM 0 HD12 ILE A 63 7.679 -0.810 -18.197 1.00 73.04 H new ATOM 0 HD13 ILE A 63 6.395 0.414 -18.340 1.00 73.04 H new ATOM 989 N ILE A 64 10.750 2.475 -21.312 1.00 72.01 N ATOM 990 CA ILE A 64 11.538 3.699 -21.390 1.00 31.35 C ATOM 991 C ILE A 64 11.767 4.114 -22.839 1.00 1.23 C ATOM 992 O ILE A 64 11.592 5.279 -23.197 1.00 43.30 O ATOM 993 CB ILE A 64 12.901 3.535 -20.692 1.00 45.34 C ATOM 994 CG1 ILE A 64 12.709 3.344 -19.187 1.00 2.14 C ATOM 995 CG2 ILE A 64 13.786 4.741 -20.970 1.00 42.40 C ATOM 996 CD1 ILE A 64 13.566 2.242 -18.603 1.00 54.12 C ATOM 0 H ILE A 64 11.191 1.722 -20.784 1.00 72.01 H new ATOM 0 HA ILE A 64 10.968 4.475 -20.879 1.00 31.35 H new ATOM 0 HB ILE A 64 13.393 2.648 -21.091 1.00 45.34 H new ATOM 0 HG12 ILE A 64 12.939 4.280 -18.678 1.00 2.14 H new ATOM 0 HG13 ILE A 64 11.661 3.122 -18.988 1.00 2.14 H new ATOM 0 HG21 ILE A 64 14.746 4.611 -20.470 1.00 42.40 H new ATOM 0 HG22 ILE A 64 13.946 4.835 -22.044 1.00 42.40 H new ATOM 0 HG23 ILE A 64 13.301 5.642 -20.595 1.00 42.40 H new ATOM 0 HD11 ILE A 64 13.378 2.163 -17.532 1.00 54.12 H new ATOM 0 HD12 ILE A 64 13.320 1.296 -19.085 1.00 54.12 H new ATOM 0 HD13 ILE A 64 14.618 2.472 -18.770 1.00 54.12 H new ATOM 1008 N HIS A 65 12.158 3.153 -23.670 1.00 30.15 N ATOM 1009 CA HIS A 65 12.409 3.418 -25.082 1.00 12.23 C ATOM 1010 C HIS A 65 11.165 3.988 -25.757 1.00 32.32 C ATOM 1011 O HIS A 65 11.261 4.825 -26.654 1.00 43.21 O ATOM 1012 CB HIS A 65 12.848 2.138 -25.793 1.00 22.24 C ATOM 1013 CG HIS A 65 14.002 2.337 -26.726 1.00 43.02 C ATOM 1014 ND1 HIS A 65 15.277 2.635 -26.294 1.00 2.41 N ATOM 1015 CD2 HIS A 65 14.069 2.277 -28.077 1.00 10.32 C ATOM 1016 CE1 HIS A 65 16.078 2.752 -27.338 1.00 52.42 C ATOM 1017 NE2 HIS A 65 15.369 2.539 -28.432 1.00 42.23 N ATOM 0 H HIS A 65 12.308 2.184 -23.390 1.00 30.15 H new ATOM 0 HA HIS A 65 13.209 4.155 -25.151 1.00 12.23 H new ATOM 0 HB2 HIS A 65 13.120 1.392 -25.046 1.00 22.24 H new ATOM 0 HB3 HIS A 65 12.004 1.735 -26.353 1.00 22.24 H new ATOM 0 HD2 HIS A 65 13.252 2.063 -28.750 1.00 10.32 H new ATOM 0 HE1 HIS A 65 17.133 2.982 -27.303 1.00 52.42 H new ATOM 0 HE2 HIS A 65 15.729 2.565 -29.386 1.00 42.23 H new ATOM 1025 N PHE A 66 9.997 3.527 -25.320 1.00 42.30 N ATOM 1026 CA PHE A 66 8.734 3.990 -25.883 1.00 61.43 C ATOM 1027 C PHE A 66 8.475 5.447 -25.514 1.00 13.14 C ATOM 1028 O PHE A 66 8.105 6.258 -26.363 1.00 70.22 O ATOM 1029 CB PHE A 66 7.580 3.114 -25.390 1.00 65.44 C ATOM 1030 CG PHE A 66 7.350 1.894 -26.236 1.00 62.12 C ATOM 1031 CD1 PHE A 66 6.971 2.016 -27.563 1.00 51.32 C ATOM 1032 CD2 PHE A 66 7.513 0.625 -25.704 1.00 75.10 C ATOM 1033 CE1 PHE A 66 6.759 0.896 -28.344 1.00 75.14 C ATOM 1034 CE2 PHE A 66 7.302 -0.499 -26.480 1.00 40.14 C ATOM 1035 CZ PHE A 66 6.923 -0.363 -27.802 1.00 24.32 C ATOM 0 H PHE A 66 9.899 2.834 -24.578 1.00 42.30 H new ATOM 0 HA PHE A 66 8.800 3.915 -26.968 1.00 61.43 H new ATOM 0 HB2 PHE A 66 7.783 2.803 -24.365 1.00 65.44 H new ATOM 0 HB3 PHE A 66 6.667 3.709 -25.368 1.00 65.44 H new ATOM 0 HD1 PHE A 66 6.840 2.998 -27.992 1.00 51.32 H new ATOM 0 HD2 PHE A 66 7.808 0.513 -24.671 1.00 75.10 H new ATOM 0 HE1 PHE A 66 6.465 1.005 -29.378 1.00 75.14 H new ATOM 0 HE2 PHE A 66 7.433 -1.483 -26.054 1.00 40.14 H new ATOM 0 HZ PHE A 66 6.755 -1.240 -28.410 1.00 24.32 H new