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 17 GLN : amide:sc= -2.05! C(o=-2.2!,f=-1.6!) USER MOD Set 1.2: A 21 SER OG : rot -140:sc= -0.184 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.54) USER MOD Single : A 27 MET CE :methyl 133:sc= -0.329 (180deg=-1.22) 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 41 MET CE :methyl -143:sc= -1.46 (180deg=-3.99!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.65 K(o=-0.65,f=-0.046) 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 165:sc= -1.41 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=-0.012) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 8.190 -12.799 -8.843 1.00 53.52 N ATOM 101 CA TRP A 10 7.752 -12.315 -10.148 1.00 65.31 C ATOM 102 C TRP A 10 6.849 -13.336 -10.832 1.00 11.44 C ATOM 103 O TRP A 10 6.344 -13.095 -11.928 1.00 53.31 O ATOM 104 CB TRP A 10 8.962 -12.012 -11.034 1.00 71.31 C ATOM 105 CG TRP A 10 9.614 -13.242 -11.590 1.00 23.15 C ATOM 106 CD1 TRP A 10 10.233 -14.233 -10.882 1.00 0.55 C ATOM 107 CD2 TRP A 10 9.714 -13.610 -12.969 1.00 71.35 C ATOM 108 NE1 TRP A 10 10.711 -15.194 -11.738 1.00 64.33 N ATOM 109 CE2 TRP A 10 10.405 -14.837 -13.025 1.00 0.54 C ATOM 110 CE3 TRP A 10 9.285 -13.025 -14.164 1.00 10.14 C ATOM 111 CZ2 TRP A 10 10.676 -15.484 -14.227 1.00 25.32 C ATOM 112 CZ3 TRP A 10 9.555 -13.669 -15.356 1.00 4.10 C ATOM 113 CH2 TRP A 10 10.245 -14.888 -15.381 1.00 30.44 C ATOM 0 HA TRP A 10 7.182 -11.398 -9.996 1.00 65.31 H new ATOM 0 HB2 TRP A 10 8.648 -11.372 -11.858 1.00 71.31 H new ATOM 0 HB3 TRP A 10 9.696 -11.451 -10.455 1.00 71.31 H new ATOM 0 HD1 TRP A 10 10.332 -14.257 -9.807 1.00 0.55 H new ATOM 0 HE1 TRP A 10 11.213 -16.038 -11.461 1.00 64.33 H new ATOM 0 HE3 TRP A 10 8.752 -12.086 -14.155 1.00 10.14 H new ATOM 0 HZ2 TRP A 10 11.208 -16.424 -14.248 1.00 25.32 H new ATOM 0 HZ3 TRP A 10 9.228 -13.225 -16.285 1.00 4.10 H new ATOM 0 HH2 TRP A 10 10.441 -15.367 -16.329 1.00 30.44 H new ATOM 124 N ARG A 11 6.649 -14.475 -10.177 1.00 63.13 N ATOM 125 CA ARG A 11 5.807 -15.532 -10.724 1.00 31.25 C ATOM 126 C ARG A 11 4.364 -15.375 -10.253 1.00 53.25 C ATOM 127 O ARG A 11 3.451 -15.992 -10.802 1.00 52.34 O ATOM 128 CB ARG A 11 6.342 -16.905 -10.311 1.00 1.43 C ATOM 129 CG ARG A 11 7.069 -17.636 -11.427 1.00 44.33 C ATOM 130 CD ARG A 11 7.933 -18.764 -10.885 1.00 12.24 C ATOM 131 NE ARG A 11 7.286 -20.065 -11.028 1.00 22.41 N ATOM 132 CZ ARG A 11 7.189 -20.715 -12.183 1.00 4.24 C ATOM 133 NH1 ARG A 11 7.695 -20.186 -13.289 1.00 22.55 N ATOM 134 NH2 ARG A 11 6.586 -21.896 -12.233 1.00 3.34 N ATOM 0 H ARG A 11 7.058 -14.689 -9.268 1.00 63.13 H new ATOM 0 HA ARG A 11 5.828 -15.453 -11.811 1.00 31.25 H new ATOM 0 HB2 ARG A 11 7.020 -16.782 -9.466 1.00 1.43 H new ATOM 0 HB3 ARG A 11 5.511 -17.520 -9.966 1.00 1.43 H new ATOM 0 HG2 ARG A 11 6.343 -18.040 -12.132 1.00 44.33 H new ATOM 0 HG3 ARG A 11 7.692 -16.932 -11.979 1.00 44.33 H new ATOM 0 HD2 ARG A 11 8.888 -18.774 -11.411 1.00 12.24 H new ATOM 0 HD3 ARG A 11 8.150 -18.581 -9.833 1.00 12.24 H new ATOM 0 HE ARG A 11 6.887 -20.499 -10.196 1.00 22.41 H new ATOM 0 HH11 ARG A 11 8.160 -19.279 -13.254 1.00 22.55 H new ATOM 0 HH12 ARG A 11 7.620 -20.687 -14.175 1.00 22.55 H new ATOM 0 HH21 ARG A 11 6.196 -22.306 -11.384 1.00 3.34 H new ATOM 0 HH22 ARG A 11 6.512 -22.394 -13.120 1.00 3.34 H new ATOM 148 N SER A 12 4.166 -14.545 -9.234 1.00 30.20 N ATOM 149 CA SER A 12 2.835 -14.310 -8.687 1.00 51.10 C ATOM 150 C SER A 12 1.925 -13.667 -9.730 1.00 30.54 C ATOM 151 O SER A 12 2.359 -12.824 -10.515 1.00 53.11 O ATOM 152 CB SER A 12 2.920 -13.416 -7.448 1.00 61.41 C ATOM 153 OG SER A 12 1.697 -12.737 -7.224 1.00 72.11 O ATOM 0 H SER A 12 4.910 -14.024 -8.771 1.00 30.20 H new ATOM 0 HA SER A 12 2.411 -15.273 -8.403 1.00 51.10 H new ATOM 0 HB2 SER A 12 3.169 -14.021 -6.576 1.00 61.41 H new ATOM 0 HB3 SER A 12 3.724 -12.691 -7.573 1.00 61.41 H new ATOM 0 HG SER A 12 1.777 -12.174 -6.426 1.00 72.11 H new ATOM 159 N THR A 13 0.659 -14.073 -9.731 1.00 52.23 N ATOM 160 CA THR A 13 -0.313 -13.539 -10.677 1.00 34.11 C ATOM 161 C THR A 13 -0.347 -12.016 -10.629 1.00 55.15 C ATOM 162 O THR A 13 -0.269 -11.351 -11.662 1.00 70.53 O ATOM 163 CB THR A 13 -1.727 -14.082 -10.396 1.00 12.15 C ATOM 164 OG1 THR A 13 -1.651 -15.444 -9.960 1.00 13.24 O ATOM 165 CG2 THR A 13 -2.599 -13.990 -11.638 1.00 54.15 C ATOM 0 H THR A 13 0.283 -14.769 -9.088 1.00 52.23 H new ATOM 0 HA THR A 13 0.001 -13.862 -11.670 1.00 34.11 H new ATOM 0 HB THR A 13 -2.176 -13.474 -9.611 1.00 12.15 H new ATOM 0 HG1 THR A 13 -2.554 -15.781 -9.782 1.00 13.24 H new ATOM 0 HG21 THR A 13 -3.592 -14.379 -11.415 1.00 54.15 H new ATOM 0 HG22 THR A 13 -2.679 -12.949 -11.950 1.00 54.15 H new ATOM 0 HG23 THR A 13 -2.152 -14.576 -12.441 1.00 54.15 H new ATOM 173 N ALA A 14 -0.464 -11.468 -9.424 1.00 73.41 N ATOM 174 CA ALA A 14 -0.506 -10.023 -9.242 1.00 42.25 C ATOM 175 C ALA A 14 0.684 -9.350 -9.919 1.00 75.03 C ATOM 176 O ALA A 14 0.518 -8.406 -10.692 1.00 45.10 O ATOM 177 CB ALA A 14 -0.537 -9.678 -7.761 1.00 10.31 C ATOM 0 H ALA A 14 -0.531 -12.004 -8.559 1.00 73.41 H new ATOM 0 HA ALA A 14 -1.417 -9.649 -9.710 1.00 42.25 H new ATOM 0 HB1 ALA A 14 -0.568 -8.595 -7.640 1.00 10.31 H new ATOM 0 HB2 ALA A 14 -1.422 -10.120 -7.303 1.00 10.31 H new ATOM 0 HB3 ALA A 14 0.357 -10.071 -7.277 1.00 10.31 H new ATOM 183 N PHE A 15 1.882 -9.841 -9.624 1.00 24.43 N ATOM 184 CA PHE A 15 3.100 -9.286 -10.203 1.00 21.22 C ATOM 185 C PHE A 15 2.989 -9.197 -11.722 1.00 35.30 C ATOM 186 O PHE A 15 2.921 -8.106 -12.287 1.00 41.33 O ATOM 187 CB PHE A 15 4.309 -10.142 -9.818 1.00 41.41 C ATOM 188 CG PHE A 15 5.597 -9.371 -9.768 1.00 2.21 C ATOM 189 CD1 PHE A 15 6.294 -9.085 -10.931 1.00 4.45 C ATOM 190 CD2 PHE A 15 6.111 -8.933 -8.558 1.00 2.00 C ATOM 191 CE1 PHE A 15 7.480 -8.375 -10.888 1.00 31.10 C ATOM 192 CE2 PHE A 15 7.296 -8.223 -8.509 1.00 52.12 C ATOM 193 CZ PHE A 15 7.982 -7.945 -9.675 1.00 53.34 C ATOM 0 H PHE A 15 2.036 -10.623 -8.987 1.00 24.43 H new ATOM 0 HA PHE A 15 3.235 -8.280 -9.807 1.00 21.22 H new ATOM 0 HB2 PHE A 15 4.128 -10.595 -8.843 1.00 41.41 H new ATOM 0 HB3 PHE A 15 4.410 -10.957 -10.535 1.00 41.41 H new ATOM 0 HD1 PHE A 15 5.907 -9.420 -11.882 1.00 4.45 H new ATOM 0 HD2 PHE A 15 5.580 -9.149 -7.643 1.00 2.00 H new ATOM 0 HE1 PHE A 15 8.013 -8.157 -11.802 1.00 31.10 H new ATOM 0 HE2 PHE A 15 7.685 -7.886 -7.560 1.00 52.12 H new ATOM 0 HZ PHE A 15 8.909 -7.392 -9.639 1.00 53.34 H new ATOM 203 N ARG A 16 2.970 -10.354 -12.377 1.00 3.24 N ATOM 204 CA ARG A 16 2.869 -10.407 -13.830 1.00 32.50 C ATOM 205 C ARG A 16 1.673 -9.597 -14.322 1.00 30.32 C ATOM 206 O ARG A 16 1.792 -8.800 -15.251 1.00 44.43 O ATOM 207 CB ARG A 16 2.744 -11.858 -14.301 1.00 1.34 C ATOM 208 CG ARG A 16 2.936 -12.031 -15.798 1.00 42.34 C ATOM 209 CD ARG A 16 2.632 -13.454 -16.238 1.00 70.14 C ATOM 210 NE ARG A 16 3.271 -14.443 -15.374 1.00 11.42 N ATOM 211 CZ ARG A 16 2.984 -15.739 -15.403 1.00 32.33 C ATOM 212 NH1 ARG A 16 2.073 -16.201 -16.249 1.00 25.43 N ATOM 213 NH2 ARG A 16 3.608 -16.577 -14.584 1.00 42.35 N ATOM 0 H ARG A 16 3.023 -11.266 -11.924 1.00 3.24 H new ATOM 0 HA ARG A 16 3.777 -9.973 -14.248 1.00 32.50 H new ATOM 0 HB2 ARG A 16 3.481 -12.466 -13.776 1.00 1.34 H new ATOM 0 HB3 ARG A 16 1.761 -12.238 -14.023 1.00 1.34 H new ATOM 0 HG2 ARG A 16 2.286 -11.337 -16.332 1.00 42.34 H new ATOM 0 HG3 ARG A 16 3.962 -11.777 -16.066 1.00 42.34 H new ATOM 0 HD2 ARG A 16 1.554 -13.612 -16.234 1.00 70.14 H new ATOM 0 HD3 ARG A 16 2.971 -13.596 -17.264 1.00 70.14 H new ATOM 0 HE ARG A 16 3.977 -14.120 -14.712 1.00 11.42 H new ATOM 0 HH11 ARG A 16 1.591 -15.560 -16.879 1.00 25.43 H new ATOM 0 HH12 ARG A 16 1.854 -17.197 -16.269 1.00 25.43 H new ATOM 0 HH21 ARG A 16 4.309 -16.225 -13.932 1.00 42.35 H new ATOM 0 HH22 ARG A 16 3.387 -17.572 -14.607 1.00 42.35 H new ATOM 227 N GLN A 17 0.522 -9.809 -13.692 1.00 10.12 N ATOM 228 CA GLN A 17 -0.695 -9.099 -14.067 1.00 12.03 C ATOM 229 C GLN A 17 -0.449 -7.595 -14.135 1.00 73.45 C ATOM 230 O GLN A 17 -0.814 -6.940 -15.111 1.00 52.45 O ATOM 231 CB GLN A 17 -1.814 -9.400 -13.068 1.00 12.51 C ATOM 232 CG GLN A 17 -3.159 -8.814 -13.467 1.00 11.34 C ATOM 233 CD GLN A 17 -3.243 -7.321 -13.216 1.00 2.11 C ATOM 234 OE1 GLN A 17 -3.055 -6.857 -12.091 1.00 21.22 O ATOM 235 NE2 GLN A 17 -3.526 -6.559 -14.266 1.00 0.00 N ATOM 0 H GLN A 17 0.407 -10.466 -12.920 1.00 10.12 H new ATOM 0 HA GLN A 17 -0.997 -9.444 -15.056 1.00 12.03 H new ATOM 0 HB2 GLN A 17 -1.915 -10.480 -12.962 1.00 12.51 H new ATOM 0 HB3 GLN A 17 -1.532 -9.009 -12.090 1.00 12.51 H new ATOM 0 HG2 GLN A 17 -3.338 -9.011 -14.524 1.00 11.34 H new ATOM 0 HG3 GLN A 17 -3.950 -9.317 -12.910 1.00 11.34 H new ATOM 0 HE21 GLN A 17 -3.674 -6.986 -15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.595 -5.547 -14.158 1.00 0.00 H new ATOM 244 N LYS A 18 0.172 -7.054 -13.093 1.00 33.21 N ATOM 245 CA LYS A 18 0.468 -5.628 -13.034 1.00 51.21 C ATOM 246 C LYS A 18 1.275 -5.189 -14.252 1.00 31.01 C ATOM 247 O LYS A 18 0.879 -4.274 -14.975 1.00 10.32 O ATOM 248 CB LYS A 18 1.238 -5.298 -11.753 1.00 72.22 C ATOM 249 CG LYS A 18 0.400 -4.584 -10.707 1.00 31.45 C ATOM 250 CD LYS A 18 1.241 -4.159 -9.515 1.00 14.54 C ATOM 251 CE LYS A 18 0.373 -3.823 -8.312 1.00 15.14 C ATOM 252 NZ LYS A 18 1.188 -3.389 -7.143 1.00 54.03 N ATOM 0 H LYS A 18 0.480 -7.582 -12.277 1.00 33.21 H new ATOM 0 HA LYS A 18 -0.478 -5.086 -13.032 1.00 51.21 H new ATOM 0 HB2 LYS A 18 1.628 -6.222 -11.325 1.00 72.22 H new ATOM 0 HB3 LYS A 18 2.097 -4.676 -12.005 1.00 72.22 H new ATOM 0 HG2 LYS A 18 -0.071 -3.708 -11.153 1.00 31.45 H new ATOM 0 HG3 LYS A 18 -0.403 -5.241 -10.372 1.00 31.45 H new ATOM 0 HD2 LYS A 18 1.934 -4.959 -9.253 1.00 14.54 H new ATOM 0 HD3 LYS A 18 1.843 -3.291 -9.784 1.00 14.54 H new ATOM 0 HE2 LYS A 18 -0.328 -3.032 -8.580 1.00 15.14 H new ATOM 0 HE3 LYS A 18 -0.220 -4.695 -8.037 1.00 15.14 H new ATOM 0 HZ1 LYS A 18 0.560 -3.169 -6.344 1.00 54.03 H new ATOM 0 HZ2 LYS A 18 1.839 -4.153 -6.871 1.00 54.03 H new ATOM 0 HZ3 LYS A 18 1.735 -2.542 -7.397 1.00 54.03 H new ATOM 266 N LEU A 19 2.407 -5.848 -14.474 1.00 52.24 N ATOM 267 CA LEU A 19 3.269 -5.527 -15.606 1.00 41.34 C ATOM 268 C LEU A 19 2.490 -5.581 -16.917 1.00 2.43 C ATOM 269 O LEU A 19 2.607 -4.689 -17.758 1.00 15.15 O ATOM 270 CB LEU A 19 4.452 -6.495 -15.663 1.00 32.13 C ATOM 271 CG LEU A 19 5.592 -6.220 -14.682 1.00 2.41 C ATOM 272 CD1 LEU A 19 5.513 -7.163 -13.492 1.00 75.30 C ATOM 273 CD2 LEU A 19 6.938 -6.350 -15.379 1.00 45.12 C ATOM 0 H LEU A 19 2.749 -6.607 -13.885 1.00 52.24 H new ATOM 0 HA LEU A 19 3.644 -4.513 -15.469 1.00 41.34 H new ATOM 0 HB2 LEU A 19 4.080 -7.503 -15.483 1.00 32.13 H new ATOM 0 HB3 LEU A 19 4.858 -6.481 -16.674 1.00 32.13 H new ATOM 0 HG LEU A 19 5.491 -5.198 -14.316 1.00 2.41 H new ATOM 0 HD11 LEU A 19 6.333 -6.952 -12.805 1.00 75.30 H new ATOM 0 HD12 LEU A 19 4.563 -7.021 -12.977 1.00 75.30 H new ATOM 0 HD13 LEU A 19 5.587 -8.194 -13.839 1.00 75.30 H new ATOM 0 HD21 LEU A 19 7.738 -6.151 -14.666 1.00 45.12 H new ATOM 0 HD22 LEU A 19 7.047 -7.360 -15.774 1.00 45.12 H new ATOM 0 HD23 LEU A 19 6.995 -5.632 -16.197 1.00 45.12 H new ATOM 285 N VAL A 20 1.694 -6.632 -17.083 1.00 52.11 N ATOM 286 CA VAL A 20 0.893 -6.801 -18.289 1.00 54.24 C ATOM 287 C VAL A 20 0.122 -5.528 -18.620 1.00 11.40 C ATOM 288 O VAL A 20 0.163 -5.041 -19.750 1.00 13.32 O ATOM 289 CB VAL A 20 -0.103 -7.967 -18.143 1.00 62.13 C ATOM 290 CG1 VAL A 20 -1.199 -7.869 -19.193 1.00 42.45 C ATOM 291 CG2 VAL A 20 0.622 -9.301 -18.241 1.00 11.03 C ATOM 0 H VAL A 20 1.587 -7.379 -16.397 1.00 52.11 H new ATOM 0 HA VAL A 20 1.586 -7.024 -19.100 1.00 54.24 H new ATOM 0 HB VAL A 20 -0.569 -7.903 -17.160 1.00 62.13 H new ATOM 0 HG11 VAL A 20 -1.893 -8.701 -19.074 1.00 42.45 H new ATOM 0 HG12 VAL A 20 -1.736 -6.928 -19.071 1.00 42.45 H new ATOM 0 HG13 VAL A 20 -0.755 -7.907 -20.188 1.00 42.45 H new ATOM 0 HG21 VAL A 20 -0.096 -10.114 -18.136 1.00 11.03 H new ATOM 0 HG22 VAL A 20 1.116 -9.376 -19.210 1.00 11.03 H new ATOM 0 HG23 VAL A 20 1.366 -9.370 -17.448 1.00 11.03 H new ATOM 301 N SER A 21 -0.580 -4.992 -17.626 1.00 71.52 N ATOM 302 CA SER A 21 -1.364 -3.777 -17.812 1.00 5.30 C ATOM 303 C SER A 21 -0.474 -2.620 -18.256 1.00 42.31 C ATOM 304 O SER A 21 -0.789 -1.913 -19.213 1.00 13.22 O ATOM 305 CB SER A 21 -2.089 -3.409 -16.516 1.00 23.00 C ATOM 306 OG SER A 21 -2.874 -4.491 -16.046 1.00 61.13 O ATOM 0 H SER A 21 -0.622 -5.380 -16.684 1.00 71.52 H new ATOM 0 HA SER A 21 -2.102 -3.966 -18.592 1.00 5.30 H new ATOM 0 HB2 SER A 21 -1.361 -3.127 -15.756 1.00 23.00 H new ATOM 0 HB3 SER A 21 -2.725 -2.541 -16.686 1.00 23.00 H new ATOM 0 HG SER A 21 -3.725 -4.151 -15.699 1.00 61.13 H new ATOM 312 N GLN A 22 0.639 -2.434 -17.554 1.00 10.35 N ATOM 313 CA GLN A 22 1.574 -1.362 -17.875 1.00 24.25 C ATOM 314 C GLN A 22 1.980 -1.415 -19.344 1.00 34.41 C ATOM 315 O GLN A 22 1.878 -0.420 -20.062 1.00 24.12 O ATOM 316 CB GLN A 22 2.816 -1.458 -16.987 1.00 25.01 C ATOM 317 CG GLN A 22 2.504 -1.446 -15.499 1.00 74.23 C ATOM 318 CD GLN A 22 1.356 -0.518 -15.152 1.00 23.34 C ATOM 319 OE1 GLN A 22 0.227 -0.961 -14.940 1.00 0.04 O ATOM 320 NE2 GLN A 22 1.640 0.777 -15.091 1.00 2.51 N ATOM 0 H GLN A 22 0.915 -3.011 -16.760 1.00 10.35 H new ATOM 0 HA GLN A 22 1.075 -0.411 -17.689 1.00 24.25 H new ATOM 0 HB2 GLN A 22 3.355 -2.374 -17.229 1.00 25.01 H new ATOM 0 HB3 GLN A 22 3.482 -0.626 -17.217 1.00 25.01 H new ATOM 0 HG2 GLN A 22 2.260 -2.457 -15.174 1.00 74.23 H new ATOM 0 HG3 GLN A 22 3.393 -1.140 -14.947 1.00 74.23 H new ATOM 0 HE21 GLN A 22 2.590 1.100 -15.274 1.00 2.51 H new ATOM 0 HE22 GLN A 22 0.908 1.449 -14.861 1.00 2.51 H new ATOM 329 N ILE A 23 2.439 -2.582 -19.784 1.00 74.00 N ATOM 330 CA ILE A 23 2.858 -2.764 -21.168 1.00 22.20 C ATOM 331 C ILE A 23 1.726 -2.433 -22.134 1.00 33.01 C ATOM 332 O ILE A 23 1.958 -1.901 -23.219 1.00 24.21 O ATOM 333 CB ILE A 23 3.334 -4.206 -21.427 1.00 34.11 C ATOM 334 CG1 ILE A 23 4.561 -4.523 -20.570 1.00 61.23 C ATOM 335 CG2 ILE A 23 3.645 -4.404 -22.903 1.00 5.12 C ATOM 336 CD1 ILE A 23 4.413 -5.782 -19.744 1.00 54.32 C ATOM 0 H ILE A 23 2.530 -3.415 -19.202 1.00 74.00 H new ATOM 0 HA ILE A 23 3.689 -2.079 -21.338 1.00 22.20 H new ATOM 0 HB ILE A 23 2.534 -4.893 -21.150 1.00 34.11 H new ATOM 0 HG12 ILE A 23 5.431 -4.624 -21.219 1.00 61.23 H new ATOM 0 HG13 ILE A 23 4.756 -3.682 -19.904 1.00 61.23 H new ATOM 0 HG21 ILE A 23 3.980 -5.428 -23.070 1.00 5.12 H new ATOM 0 HG22 ILE A 23 2.748 -4.215 -23.492 1.00 5.12 H new ATOM 0 HG23 ILE A 23 4.430 -3.711 -23.205 1.00 5.12 H new ATOM 0 HD11 ILE A 23 5.320 -5.944 -19.162 1.00 54.32 H new ATOM 0 HD12 ILE A 23 3.563 -5.677 -19.069 1.00 54.32 H new ATOM 0 HD13 ILE A 23 4.249 -6.633 -20.405 1.00 54.32 H new ATOM 348 N GLU A 24 0.499 -2.750 -21.730 1.00 43.05 N ATOM 349 CA GLU A 24 -0.670 -2.485 -22.561 1.00 3.32 C ATOM 350 C GLU A 24 -0.981 -0.991 -22.601 1.00 33.45 C ATOM 351 O GLU A 24 -1.405 -0.462 -23.628 1.00 40.11 O ATOM 352 CB GLU A 24 -1.882 -3.256 -22.035 1.00 10.01 C ATOM 353 CG GLU A 24 -2.739 -3.864 -23.132 1.00 54.12 C ATOM 354 CD GLU A 24 -4.037 -3.109 -23.345 1.00 10.45 C ATOM 355 OE1 GLU A 24 -4.967 -3.287 -22.530 1.00 22.20 O ATOM 356 OE2 GLU A 24 -4.123 -2.340 -24.325 1.00 11.34 O ATOM 0 H GLU A 24 0.289 -3.190 -20.834 1.00 43.05 H new ATOM 0 HA GLU A 24 -0.448 -2.820 -23.574 1.00 3.32 H new ATOM 0 HB2 GLU A 24 -1.537 -4.050 -21.373 1.00 10.01 H new ATOM 0 HB3 GLU A 24 -2.497 -2.585 -21.435 1.00 10.01 H new ATOM 0 HG2 GLU A 24 -2.174 -3.877 -24.064 1.00 54.12 H new ATOM 0 HG3 GLU A 24 -2.963 -4.901 -22.880 1.00 54.12 H new ATOM 363 N ASP A 25 -0.769 -0.319 -21.475 1.00 2.32 N ATOM 364 CA ASP A 25 -1.026 1.114 -21.380 1.00 31.52 C ATOM 365 C ASP A 25 0.011 1.906 -22.170 1.00 72.52 C ATOM 366 O ASP A 25 -0.331 2.817 -22.922 1.00 55.35 O ATOM 367 CB ASP A 25 -1.019 1.559 -19.917 1.00 32.45 C ATOM 368 CG ASP A 25 -1.748 2.871 -19.707 1.00 41.53 C ATOM 369 OD1 ASP A 25 -2.729 3.128 -20.436 1.00 63.12 O ATOM 370 OD2 ASP A 25 -1.337 3.643 -18.815 1.00 62.01 O ATOM 0 H ASP A 25 -0.420 -0.743 -20.615 1.00 2.32 H new ATOM 0 HA ASP A 25 -2.009 1.311 -21.807 1.00 31.52 H new ATOM 0 HB2 ASP A 25 -1.483 0.787 -19.303 1.00 32.45 H new ATOM 0 HB3 ASP A 25 0.011 1.661 -19.576 1.00 32.45 H new ATOM 375 N ALA A 26 1.279 1.551 -21.993 1.00 44.31 N ATOM 376 CA ALA A 26 2.366 2.228 -22.690 1.00 50.12 C ATOM 377 C ALA A 26 2.215 2.096 -24.202 1.00 14.42 C ATOM 378 O ALA A 26 2.402 3.063 -24.940 1.00 64.22 O ATOM 379 CB ALA A 26 3.709 1.671 -22.242 1.00 32.23 C ATOM 0 H ALA A 26 1.579 0.799 -21.373 1.00 44.31 H new ATOM 0 HA ALA A 26 2.322 3.287 -22.437 1.00 50.12 H new ATOM 0 HB1 ALA A 26 4.511 2.186 -22.771 1.00 32.23 H new ATOM 0 HB2 ALA A 26 3.826 1.822 -21.169 1.00 32.23 H new ATOM 0 HB3 ALA A 26 3.753 0.605 -22.465 1.00 32.23 H new ATOM 385 N MET A 27 1.875 0.894 -24.655 1.00 52.33 N ATOM 386 CA MET A 27 1.698 0.637 -26.080 1.00 11.31 C ATOM 387 C MET A 27 0.562 1.482 -26.648 1.00 35.33 C ATOM 388 O MET A 27 0.702 2.099 -27.703 1.00 43.33 O ATOM 389 CB MET A 27 1.416 -0.847 -26.321 1.00 52.10 C ATOM 390 CG MET A 27 2.411 -1.510 -27.259 1.00 24.11 C ATOM 391 SD MET A 27 1.742 -2.985 -28.052 1.00 43.30 S ATOM 392 CE MET A 27 0.396 -2.278 -29.000 1.00 24.44 C ATOM 0 H MET A 27 1.717 0.083 -24.057 1.00 52.33 H new ATOM 0 HA MET A 27 2.621 0.911 -26.591 1.00 11.31 H new ATOM 0 HB2 MET A 27 1.426 -1.370 -25.365 1.00 52.10 H new ATOM 0 HB3 MET A 27 0.413 -0.956 -26.733 1.00 52.10 H new ATOM 0 HG2 MET A 27 2.714 -0.796 -28.025 1.00 24.11 H new ATOM 0 HG3 MET A 27 3.308 -1.778 -26.701 1.00 24.11 H new ATOM 0 HE1 MET A 27 0.423 -2.669 -30.017 1.00 24.44 H new ATOM 0 HE2 MET A 27 -0.554 -2.541 -28.535 1.00 24.44 H new ATOM 0 HE3 MET A 27 0.499 -1.193 -29.025 1.00 24.44 H new ATOM 402 N ARG A 28 -0.564 1.503 -25.941 1.00 2.40 N ATOM 403 CA ARG A 28 -1.725 2.271 -26.376 1.00 65.20 C ATOM 404 C ARG A 28 -1.339 3.716 -26.678 1.00 63.23 C ATOM 405 O ARG A 28 -1.579 4.218 -27.777 1.00 34.35 O ATOM 406 CB ARG A 28 -2.816 2.237 -25.305 1.00 20.43 C ATOM 407 CG ARG A 28 -3.942 3.228 -25.550 1.00 64.11 C ATOM 408 CD ARG A 28 -5.305 2.577 -25.378 1.00 60.41 C ATOM 409 NE ARG A 28 -6.387 3.558 -25.397 1.00 24.34 N ATOM 410 CZ ARG A 28 -6.819 4.154 -26.502 1.00 71.11 C ATOM 411 NH1 ARG A 28 -6.265 3.870 -27.673 1.00 32.33 N ATOM 412 NH2 ARG A 28 -7.808 5.036 -26.438 1.00 13.00 N ATOM 0 H ARG A 28 -0.697 0.997 -25.065 1.00 2.40 H new ATOM 0 HA ARG A 28 -2.108 1.817 -27.290 1.00 65.20 H new ATOM 0 HB2 ARG A 28 -3.233 1.231 -25.255 1.00 20.43 H new ATOM 0 HB3 ARG A 28 -2.366 2.444 -24.334 1.00 20.43 H new ATOM 0 HG2 ARG A 28 -3.848 4.065 -24.859 1.00 64.11 H new ATOM 0 HG3 ARG A 28 -3.857 3.635 -26.557 1.00 64.11 H new ATOM 0 HD2 ARG A 28 -5.462 1.849 -26.174 1.00 60.41 H new ATOM 0 HD3 ARG A 28 -5.329 2.029 -24.436 1.00 60.41 H new ATOM 0 HE ARG A 28 -6.835 3.798 -24.513 1.00 24.34 H new ATOM 0 HH11 ARG A 28 -5.505 3.192 -27.727 1.00 32.33 H new ATOM 0 HH12 ARG A 28 -6.599 4.330 -28.520 1.00 32.33 H new ATOM 0 HH21 ARG A 28 -8.237 5.257 -25.539 1.00 13.00 H new ATOM 0 HH22 ARG A 28 -8.139 5.493 -27.287 1.00 13.00 H new ATOM 426 N LYS A 29 -0.739 4.380 -25.696 1.00 40.44 N ATOM 427 CA LYS A 29 -0.319 5.767 -25.856 1.00 4.42 C ATOM 428 C LYS A 29 0.879 5.868 -26.796 1.00 14.43 C ATOM 429 O LYS A 29 1.121 6.915 -27.396 1.00 63.33 O ATOM 430 CB LYS A 29 0.034 6.374 -24.496 1.00 45.41 C ATOM 431 CG LYS A 29 -0.709 7.664 -24.194 1.00 71.11 C ATOM 432 CD LYS A 29 -0.297 8.244 -22.852 1.00 4.32 C ATOM 433 CE LYS A 29 -1.309 9.263 -22.350 1.00 61.31 C ATOM 434 NZ LYS A 29 -0.663 10.336 -21.544 1.00 34.51 N ATOM 0 H LYS A 29 -0.533 3.980 -24.781 1.00 40.44 H new ATOM 0 HA LYS A 29 -1.148 6.324 -26.292 1.00 4.42 H new ATOM 0 HB2 LYS A 29 -0.186 5.646 -23.715 1.00 45.41 H new ATOM 0 HB3 LYS A 29 1.106 6.565 -24.460 1.00 45.41 H new ATOM 0 HG2 LYS A 29 -0.512 8.391 -24.982 1.00 71.11 H new ATOM 0 HG3 LYS A 29 -1.783 7.475 -24.196 1.00 71.11 H new ATOM 0 HD2 LYS A 29 -0.196 7.440 -22.123 1.00 4.32 H new ATOM 0 HD3 LYS A 29 0.681 8.716 -22.943 1.00 4.32 H new ATOM 0 HE2 LYS A 29 -1.827 9.709 -23.199 1.00 61.31 H new ATOM 0 HE3 LYS A 29 -2.063 8.759 -21.745 1.00 61.31 H new ATOM 0 HZ1 LYS A 29 -1.386 11.010 -21.221 1.00 34.51 H new ATOM 0 HZ2 LYS A 29 -0.190 9.914 -20.720 1.00 34.51 H new ATOM 0 HZ3 LYS A 29 0.038 10.834 -22.128 1.00 34.51 H new ATOM 448 N ALA A 30 1.622 4.774 -26.919 1.00 4.01 N ATOM 449 CA ALA A 30 2.792 4.739 -27.788 1.00 53.05 C ATOM 450 C ALA A 30 2.387 4.827 -29.256 1.00 62.22 C ATOM 451 O ALA A 30 3.149 5.310 -30.092 1.00 64.14 O ATOM 452 CB ALA A 30 3.599 3.474 -27.536 1.00 43.53 C ATOM 0 H ALA A 30 1.435 3.900 -26.428 1.00 4.01 H new ATOM 0 HA ALA A 30 3.413 5.605 -27.556 1.00 53.05 H new ATOM 0 HB1 ALA A 30 4.470 3.461 -28.192 1.00 43.53 H new ATOM 0 HB2 ALA A 30 3.927 3.453 -26.497 1.00 43.53 H new ATOM 0 HB3 ALA A 30 2.979 2.601 -27.739 1.00 43.53 H new ATOM 458 N GLY A 31 1.182 4.355 -29.563 1.00 2.44 N ATOM 459 CA GLY A 31 0.698 4.389 -30.930 1.00 42.43 C ATOM 460 C GLY A 31 1.500 3.491 -31.851 1.00 52.35 C ATOM 461 O GLY A 31 2.325 3.967 -32.631 1.00 3.31 O ATOM 0 H GLY A 31 0.533 3.950 -28.889 1.00 2.44 H new ATOM 0 HA2 GLY A 31 -0.348 4.083 -30.950 1.00 42.43 H new ATOM 0 HA3 GLY A 31 0.738 5.413 -31.301 1.00 42.43 H new ATOM 563 N LYS A 39 -0.657 -8.764 -23.763 1.00 73.42 N ATOM 564 CA LYS A 39 -0.761 -10.080 -23.142 1.00 41.44 C ATOM 565 C LYS A 39 0.178 -11.075 -23.817 1.00 1.15 C ATOM 566 O LYS A 39 0.891 -11.822 -23.146 1.00 45.42 O ATOM 567 CB LYS A 39 -2.202 -10.590 -23.218 1.00 3.11 C ATOM 568 CG LYS A 39 -2.932 -10.548 -21.887 1.00 31.42 C ATOM 569 CD LYS A 39 -3.763 -9.284 -21.746 1.00 73.20 C ATOM 570 CE LYS A 39 -4.819 -9.429 -20.661 1.00 21.24 C ATOM 571 NZ LYS A 39 -5.765 -8.279 -20.650 1.00 23.04 N ATOM 0 HA LYS A 39 -0.471 -9.985 -22.096 1.00 41.44 H new ATOM 0 HB2 LYS A 39 -2.753 -9.992 -23.944 1.00 3.11 H new ATOM 0 HB3 LYS A 39 -2.197 -11.615 -23.588 1.00 3.11 H new ATOM 0 HG2 LYS A 39 -3.578 -11.421 -21.798 1.00 31.42 H new ATOM 0 HG3 LYS A 39 -2.209 -10.602 -21.073 1.00 31.42 H new ATOM 0 HD2 LYS A 39 -3.111 -8.443 -21.510 1.00 73.20 H new ATOM 0 HD3 LYS A 39 -4.245 -9.057 -22.697 1.00 73.20 H new ATOM 0 HE2 LYS A 39 -5.374 -10.354 -20.816 1.00 21.24 H new ATOM 0 HE3 LYS A 39 -4.332 -9.508 -19.689 1.00 21.24 H new ATOM 0 HZ1 LYS A 39 -6.469 -8.416 -19.897 1.00 23.04 H new ATOM 0 HZ2 LYS A 39 -5.239 -7.399 -20.477 1.00 23.04 H new ATOM 0 HZ3 LYS A 39 -6.249 -8.218 -21.569 1.00 23.04 H new ATOM 585 N ASP A 40 0.174 -11.079 -25.145 1.00 14.11 N ATOM 586 CA ASP A 40 1.027 -11.981 -25.910 1.00 1.24 C ATOM 587 C ASP A 40 2.497 -11.604 -25.750 1.00 32.45 C ATOM 588 O ASP A 40 3.362 -12.473 -25.644 1.00 30.10 O ATOM 589 CB ASP A 40 0.639 -11.953 -27.389 1.00 11.02 C ATOM 590 CG ASP A 40 -0.197 -13.152 -27.791 1.00 23.44 C ATOM 591 OD1 ASP A 40 0.392 -14.183 -28.180 1.00 3.15 O ATOM 592 OD2 ASP A 40 -1.440 -13.061 -27.715 1.00 43.14 O ATOM 0 H ASP A 40 -0.411 -10.467 -25.715 1.00 14.11 H new ATOM 0 HA ASP A 40 0.885 -12.991 -25.524 1.00 1.24 H new ATOM 0 HB2 ASP A 40 0.083 -11.039 -27.598 1.00 11.02 H new ATOM 0 HB3 ASP A 40 1.542 -11.923 -27.998 1.00 11.02 H new ATOM 597 N MET A 41 2.771 -10.304 -25.733 1.00 70.15 N ATOM 598 CA MET A 41 4.136 -9.813 -25.586 1.00 62.12 C ATOM 599 C MET A 41 4.701 -10.180 -24.218 1.00 2.24 C ATOM 600 O MET A 41 5.803 -10.718 -24.116 1.00 0.15 O ATOM 601 CB MET A 41 4.179 -8.296 -25.779 1.00 11.02 C ATOM 602 CG MET A 41 4.759 -7.869 -27.117 1.00 64.43 C ATOM 603 SD MET A 41 4.464 -6.128 -27.479 1.00 41.11 S ATOM 604 CE MET A 41 5.988 -5.692 -28.314 1.00 74.43 C ATOM 0 H MET A 41 2.066 -9.572 -25.819 1.00 70.15 H new ATOM 0 HA MET A 41 4.750 -10.286 -26.352 1.00 62.12 H new ATOM 0 HB2 MET A 41 3.169 -7.898 -25.687 1.00 11.02 H new ATOM 0 HB3 MET A 41 4.771 -7.853 -24.978 1.00 11.02 H new ATOM 0 HG2 MET A 41 5.832 -8.060 -27.121 1.00 64.43 H new ATOM 0 HG3 MET A 41 4.324 -8.479 -27.908 1.00 64.43 H new ATOM 0 HE1 MET A 41 6.279 -4.679 -28.035 1.00 74.43 H new ATOM 0 HE2 MET A 41 6.774 -6.388 -28.023 1.00 74.43 H new ATOM 0 HE3 MET A 41 5.839 -5.743 -29.393 1.00 74.43 H new ATOM 614 N GLU A 42 3.939 -9.884 -23.169 1.00 61.41 N ATOM 615 CA GLU A 42 4.366 -10.183 -21.807 1.00 50.31 C ATOM 616 C GLU A 42 4.668 -11.670 -21.645 1.00 45.41 C ATOM 617 O GLU A 42 5.732 -12.048 -21.155 1.00 3.32 O ATOM 618 CB GLU A 42 3.289 -9.758 -20.807 1.00 33.22 C ATOM 619 CG GLU A 42 3.849 -9.181 -19.518 1.00 13.13 C ATOM 620 CD GLU A 42 3.608 -10.082 -18.322 1.00 62.01 C ATOM 621 OE1 GLU A 42 3.653 -11.318 -18.493 1.00 74.44 O ATOM 622 OE2 GLU A 42 3.376 -9.552 -17.216 1.00 14.41 O ATOM 0 H GLU A 42 3.024 -9.438 -23.236 1.00 61.41 H new ATOM 0 HA GLU A 42 5.279 -9.621 -21.608 1.00 50.31 H new ATOM 0 HB2 GLU A 42 2.642 -9.017 -21.276 1.00 33.22 H new ATOM 0 HB3 GLU A 42 2.666 -10.620 -20.569 1.00 33.22 H new ATOM 0 HG2 GLU A 42 4.920 -9.016 -19.634 1.00 13.13 H new ATOM 0 HG3 GLU A 42 3.395 -8.208 -19.332 1.00 13.13 H new ATOM 629 N SER A 43 3.724 -12.508 -22.060 1.00 64.22 N ATOM 630 CA SER A 43 3.887 -13.954 -21.958 1.00 0.35 C ATOM 631 C SER A 43 5.212 -14.396 -22.571 1.00 22.24 C ATOM 632 O SER A 43 5.979 -15.136 -21.953 1.00 73.32 O ATOM 633 CB SER A 43 2.727 -14.669 -22.652 1.00 33.31 C ATOM 634 OG SER A 43 1.639 -14.857 -21.764 1.00 34.14 O ATOM 0 H SER A 43 2.838 -12.211 -22.470 1.00 64.22 H new ATOM 0 HA SER A 43 3.889 -14.221 -20.901 1.00 0.35 H new ATOM 0 HB2 SER A 43 2.401 -14.087 -23.514 1.00 33.31 H new ATOM 0 HB3 SER A 43 3.064 -15.635 -23.029 1.00 33.31 H new ATOM 0 HG SER A 43 0.910 -15.315 -22.232 1.00 34.14 H new ATOM 640 N HIS A 44 5.475 -13.937 -23.790 1.00 63.41 N ATOM 641 CA HIS A 44 6.708 -14.285 -24.488 1.00 41.21 C ATOM 642 C HIS A 44 7.929 -13.917 -23.650 1.00 51.23 C ATOM 643 O HIS A 44 8.884 -14.688 -23.554 1.00 13.12 O ATOM 644 CB HIS A 44 6.771 -13.575 -25.841 1.00 14.22 C ATOM 645 CG HIS A 44 8.083 -13.738 -26.543 1.00 24.21 C ATOM 646 ND1 HIS A 44 8.584 -12.808 -27.429 1.00 53.13 N ATOM 647 CD2 HIS A 44 9.001 -14.731 -26.484 1.00 25.03 C ATOM 648 CE1 HIS A 44 9.752 -13.222 -27.886 1.00 72.34 C ATOM 649 NE2 HIS A 44 10.029 -14.387 -27.328 1.00 14.33 N ATOM 0 H HIS A 44 4.852 -13.324 -24.315 1.00 63.41 H new ATOM 0 HA HIS A 44 6.712 -15.363 -24.651 1.00 41.21 H new ATOM 0 HB2 HIS A 44 5.976 -13.959 -26.481 1.00 14.22 H new ATOM 0 HB3 HIS A 44 6.577 -12.513 -25.694 1.00 14.22 H new ATOM 0 HD2 HIS A 44 8.937 -15.627 -25.885 1.00 25.03 H new ATOM 0 HE1 HIS A 44 10.375 -12.697 -28.595 1.00 72.34 H new ATOM 0 HE2 HIS A 44 10.869 -14.941 -27.496 1.00 14.33 H new ATOM 657 N VAL A 45 7.891 -12.733 -23.046 1.00 65.25 N ATOM 658 CA VAL A 45 8.994 -12.263 -22.217 1.00 3.03 C ATOM 659 C VAL A 45 9.222 -13.190 -21.028 1.00 71.32 C ATOM 660 O VAL A 45 10.349 -13.608 -20.760 1.00 14.03 O ATOM 661 CB VAL A 45 8.738 -10.836 -21.698 1.00 53.52 C ATOM 662 CG1 VAL A 45 9.985 -10.278 -21.030 1.00 11.32 C ATOM 663 CG2 VAL A 45 8.281 -9.931 -22.833 1.00 21.10 C ATOM 0 H VAL A 45 7.108 -12.082 -23.116 1.00 65.25 H new ATOM 0 HA VAL A 45 9.883 -12.259 -22.847 1.00 3.03 H new ATOM 0 HB VAL A 45 7.944 -10.876 -20.953 1.00 53.52 H new ATOM 0 HG11 VAL A 45 9.784 -9.269 -20.670 1.00 11.32 H new ATOM 0 HG12 VAL A 45 10.264 -10.914 -20.190 1.00 11.32 H new ATOM 0 HG13 VAL A 45 10.802 -10.250 -21.751 1.00 11.32 H new ATOM 0 HG21 VAL A 45 8.105 -8.926 -22.449 1.00 21.10 H new ATOM 0 HG22 VAL A 45 9.052 -9.895 -23.603 1.00 21.10 H new ATOM 0 HG23 VAL A 45 7.359 -10.323 -23.262 1.00 21.10 H new ATOM 673 N PHE A 46 8.144 -13.509 -20.319 1.00 25.41 N ATOM 674 CA PHE A 46 8.226 -14.388 -19.158 1.00 1.34 C ATOM 675 C PHE A 46 8.965 -15.678 -19.502 1.00 40.52 C ATOM 676 O PHE A 46 9.839 -16.124 -18.757 1.00 74.14 O ATOM 677 CB PHE A 46 6.824 -14.713 -18.638 1.00 42.01 C ATOM 678 CG PHE A 46 6.797 -15.094 -17.186 1.00 32.35 C ATOM 679 CD1 PHE A 46 7.055 -16.398 -16.793 1.00 10.21 C ATOM 680 CD2 PHE A 46 6.513 -14.149 -16.213 1.00 24.32 C ATOM 681 CE1 PHE A 46 7.030 -16.751 -15.457 1.00 75.41 C ATOM 682 CE2 PHE A 46 6.487 -14.497 -14.875 1.00 50.12 C ATOM 683 CZ PHE A 46 6.746 -15.800 -14.497 1.00 4.40 C ATOM 0 H PHE A 46 7.204 -13.172 -20.528 1.00 25.41 H new ATOM 0 HA PHE A 46 8.784 -13.868 -18.379 1.00 1.34 H new ATOM 0 HB2 PHE A 46 6.179 -13.848 -18.790 1.00 42.01 H new ATOM 0 HB3 PHE A 46 6.407 -15.529 -19.227 1.00 42.01 H new ATOM 0 HD1 PHE A 46 7.278 -17.146 -17.539 1.00 10.21 H new ATOM 0 HD2 PHE A 46 6.310 -13.129 -16.503 1.00 24.32 H new ATOM 0 HE1 PHE A 46 7.233 -17.771 -15.164 1.00 75.41 H new ATOM 0 HE2 PHE A 46 6.264 -13.751 -14.126 1.00 50.12 H new ATOM 0 HZ PHE A 46 6.726 -16.074 -13.453 1.00 4.40 H new ATOM 693 N LEU A 47 8.608 -16.272 -20.635 1.00 41.13 N ATOM 694 CA LEU A 47 9.236 -17.511 -21.080 1.00 21.30 C ATOM 695 C LEU A 47 10.623 -17.243 -21.655 1.00 23.12 C ATOM 696 O LEU A 47 11.459 -18.144 -21.736 1.00 75.03 O ATOM 697 CB LEU A 47 8.362 -18.202 -22.128 1.00 51.54 C ATOM 698 CG LEU A 47 7.232 -19.079 -21.588 1.00 24.21 C ATOM 699 CD1 LEU A 47 6.095 -19.165 -22.594 1.00 11.33 C ATOM 700 CD2 LEU A 47 7.752 -20.469 -21.249 1.00 4.43 C ATOM 0 H LEU A 47 7.887 -15.916 -21.262 1.00 41.13 H new ATOM 0 HA LEU A 47 9.342 -18.166 -20.215 1.00 21.30 H new ATOM 0 HB2 LEU A 47 7.926 -17.437 -22.770 1.00 51.54 H new ATOM 0 HB3 LEU A 47 9.004 -18.818 -22.758 1.00 51.54 H new ATOM 0 HG LEU A 47 6.848 -18.623 -20.675 1.00 24.21 H new ATOM 0 HD11 LEU A 47 5.300 -19.793 -22.192 1.00 11.33 H new ATOM 0 HD12 LEU A 47 5.705 -18.166 -22.788 1.00 11.33 H new ATOM 0 HD13 LEU A 47 6.464 -19.597 -23.524 1.00 11.33 H new ATOM 0 HD21 LEU A 47 6.935 -21.080 -20.866 1.00 4.43 H new ATOM 0 HD22 LEU A 47 8.162 -20.933 -22.146 1.00 4.43 H new ATOM 0 HD23 LEU A 47 8.532 -20.391 -20.492 1.00 4.43 H new ATOM 712 N LYS A 48 10.863 -15.998 -22.051 1.00 4.33 N ATOM 713 CA LYS A 48 12.150 -15.608 -22.615 1.00 23.22 C ATOM 714 C LYS A 48 13.131 -15.218 -21.514 1.00 1.41 C ATOM 715 O LYS A 48 14.325 -15.051 -21.763 1.00 74.44 O ATOM 716 CB LYS A 48 11.971 -14.443 -23.590 1.00 1.50 C ATOM 717 CG LYS A 48 13.150 -14.247 -24.527 1.00 42.22 C ATOM 718 CD LYS A 48 13.987 -13.043 -24.127 1.00 73.10 C ATOM 719 CE LYS A 48 15.069 -12.750 -25.155 1.00 11.12 C ATOM 720 NZ LYS A 48 16.304 -13.543 -24.902 1.00 75.20 N ATOM 0 H LYS A 48 10.182 -15.241 -21.992 1.00 4.33 H new ATOM 0 HA LYS A 48 12.557 -16.464 -23.153 1.00 23.22 H new ATOM 0 HB2 LYS A 48 11.071 -14.611 -24.182 1.00 1.50 H new ATOM 0 HB3 LYS A 48 11.813 -13.526 -23.022 1.00 1.50 H new ATOM 0 HG2 LYS A 48 13.772 -15.142 -24.522 1.00 42.22 H new ATOM 0 HG3 LYS A 48 12.788 -14.117 -25.547 1.00 42.22 H new ATOM 0 HD2 LYS A 48 13.342 -12.171 -24.017 1.00 73.10 H new ATOM 0 HD3 LYS A 48 14.446 -13.225 -23.155 1.00 73.10 H new ATOM 0 HE2 LYS A 48 14.692 -12.974 -26.153 1.00 11.12 H new ATOM 0 HE3 LYS A 48 15.310 -11.687 -25.136 1.00 11.12 H new ATOM 0 HZ1 LYS A 48 17.017 -13.315 -25.624 1.00 75.20 H new ATOM 0 HZ2 LYS A 48 16.679 -13.311 -23.960 1.00 75.20 H new ATOM 0 HZ3 LYS A 48 16.080 -14.558 -24.945 1.00 75.20 H new ATOM 734 N ALA A 49 12.620 -15.074 -20.296 1.00 33.04 N ATOM 735 CA ALA A 49 13.452 -14.707 -19.156 1.00 55.34 C ATOM 736 C ALA A 49 13.787 -15.927 -18.306 1.00 1.25 C ATOM 737 O ALA A 49 12.974 -16.841 -18.164 1.00 45.13 O ATOM 738 CB ALA A 49 12.755 -13.649 -18.314 1.00 10.53 C ATOM 0 H ALA A 49 11.633 -15.206 -20.073 1.00 33.04 H new ATOM 0 HA ALA A 49 14.387 -14.295 -19.537 1.00 55.34 H new ATOM 0 HB1 ALA A 49 13.387 -13.384 -17.466 1.00 10.53 H new ATOM 0 HB2 ALA A 49 12.572 -12.763 -18.922 1.00 10.53 H new ATOM 0 HB3 ALA A 49 11.805 -14.041 -17.950 1.00 10.53 H new ATOM 744 N LYS A 50 14.990 -15.936 -17.741 1.00 14.35 N ATOM 745 CA LYS A 50 15.434 -17.043 -16.903 1.00 33.25 C ATOM 746 C LYS A 50 15.258 -16.711 -15.424 1.00 71.41 C ATOM 747 O LYS A 50 15.139 -17.606 -14.586 1.00 2.32 O ATOM 748 CB LYS A 50 16.900 -17.372 -17.191 1.00 60.34 C ATOM 749 CG LYS A 50 17.086 -18.575 -18.101 1.00 12.51 C ATOM 750 CD LYS A 50 18.365 -18.466 -18.914 1.00 72.20 C ATOM 751 CE LYS A 50 18.515 -19.635 -19.875 1.00 71.43 C ATOM 752 NZ LYS A 50 17.796 -19.396 -21.157 1.00 14.40 N ATOM 0 H LYS A 50 15.675 -15.188 -17.849 1.00 14.35 H new ATOM 0 HA LYS A 50 14.820 -17.912 -17.138 1.00 33.25 H new ATOM 0 HB2 LYS A 50 17.375 -16.504 -17.648 1.00 60.34 H new ATOM 0 HB3 LYS A 50 17.414 -17.557 -16.248 1.00 60.34 H new ATOM 0 HG2 LYS A 50 17.111 -19.485 -17.502 1.00 12.51 H new ATOM 0 HG3 LYS A 50 16.232 -18.659 -18.773 1.00 12.51 H new ATOM 0 HD2 LYS A 50 18.363 -17.531 -19.474 1.00 72.20 H new ATOM 0 HD3 LYS A 50 19.223 -18.433 -18.242 1.00 72.20 H new ATOM 0 HE2 LYS A 50 19.572 -19.805 -20.078 1.00 71.43 H new ATOM 0 HE3 LYS A 50 18.131 -20.541 -19.407 1.00 71.43 H new ATOM 0 HZ1 LYS A 50 17.923 -20.216 -21.784 1.00 14.40 H new ATOM 0 HZ2 LYS A 50 16.783 -19.259 -20.967 1.00 14.40 H new ATOM 0 HZ3 LYS A 50 18.180 -18.546 -21.617 1.00 14.40 H new ATOM 766 N THR A 51 15.241 -15.420 -15.110 1.00 55.40 N ATOM 767 CA THR A 51 15.079 -14.970 -13.733 1.00 52.02 C ATOM 768 C THR A 51 14.255 -13.689 -13.666 1.00 43.14 C ATOM 769 O THR A 51 13.988 -13.058 -14.689 1.00 14.20 O ATOM 770 CB THR A 51 16.442 -14.727 -13.058 1.00 14.50 C ATOM 771 OG1 THR A 51 17.125 -13.649 -13.708 1.00 11.11 O ATOM 772 CG2 THR A 51 17.301 -15.981 -13.106 1.00 0.22 C ATOM 0 H THR A 51 15.337 -14.667 -15.791 1.00 55.40 H new ATOM 0 HA THR A 51 14.555 -15.763 -13.201 1.00 52.02 H new ATOM 0 HB THR A 51 16.265 -14.468 -12.014 1.00 14.50 H new ATOM 0 HG1 THR A 51 17.990 -13.500 -13.272 1.00 11.11 H new ATOM 0 HG21 THR A 51 18.258 -15.785 -12.623 1.00 0.22 H new ATOM 0 HG22 THR A 51 16.791 -16.791 -12.585 1.00 0.22 H new ATOM 0 HG23 THR A 51 17.470 -16.267 -14.144 1.00 0.22 H new ATOM 780 N ARG A 52 13.857 -13.310 -12.457 1.00 13.44 N ATOM 781 CA ARG A 52 13.063 -12.103 -12.257 1.00 72.21 C ATOM 782 C ARG A 52 13.768 -10.885 -12.847 1.00 14.14 C ATOM 783 O ARG A 52 13.126 -9.897 -13.205 1.00 20.13 O ATOM 784 CB ARG A 52 12.799 -11.881 -10.767 1.00 31.43 C ATOM 785 CG ARG A 52 14.031 -11.451 -9.987 1.00 71.14 C ATOM 786 CD ARG A 52 13.779 -11.477 -8.488 1.00 13.10 C ATOM 787 NE ARG A 52 13.640 -12.839 -7.980 1.00 2.04 N ATOM 788 CZ ARG A 52 13.795 -13.166 -6.701 1.00 53.44 C ATOM 789 NH1 ARG A 52 14.091 -12.233 -5.807 1.00 32.14 N ATOM 790 NH2 ARG A 52 13.652 -14.427 -6.316 1.00 24.32 N ATOM 0 H ARG A 52 14.071 -13.821 -11.600 1.00 13.44 H new ATOM 0 HA ARG A 52 12.111 -12.235 -12.771 1.00 72.21 H new ATOM 0 HB2 ARG A 52 12.024 -11.123 -10.653 1.00 31.43 H new ATOM 0 HB3 ARG A 52 12.409 -12.802 -10.335 1.00 31.43 H new ATOM 0 HG2 ARG A 52 14.864 -12.111 -10.228 1.00 71.14 H new ATOM 0 HG3 ARG A 52 14.322 -10.446 -10.291 1.00 71.14 H new ATOM 0 HD2 ARG A 52 14.602 -10.980 -7.973 1.00 13.10 H new ATOM 0 HD3 ARG A 52 12.875 -10.912 -8.263 1.00 13.10 H new ATOM 0 HE ARG A 52 13.411 -13.580 -8.643 1.00 2.04 H new ATOM 0 HH11 ARG A 52 14.200 -11.262 -6.100 1.00 32.14 H new ATOM 0 HH12 ARG A 52 14.210 -12.486 -4.826 1.00 32.14 H new ATOM 0 HH21 ARG A 52 13.423 -15.147 -7.002 1.00 24.32 H new ATOM 0 HH22 ARG A 52 13.771 -14.677 -5.334 1.00 24.32 H new ATOM 804 N ASP A 53 15.090 -10.963 -12.944 1.00 2.44 N ATOM 805 CA ASP A 53 15.882 -9.867 -13.490 1.00 5.01 C ATOM 806 C ASP A 53 15.767 -9.818 -15.010 1.00 72.23 C ATOM 807 O ASP A 53 15.418 -8.786 -15.582 1.00 61.24 O ATOM 808 CB ASP A 53 17.349 -10.017 -13.082 1.00 51.11 C ATOM 809 CG ASP A 53 18.171 -8.788 -13.415 1.00 41.53 C ATOM 810 OD1 ASP A 53 18.570 -8.640 -14.590 1.00 33.32 O ATOM 811 OD2 ASP A 53 18.415 -7.972 -12.502 1.00 22.23 O ATOM 0 H ASP A 53 15.636 -11.773 -12.652 1.00 2.44 H new ATOM 0 HA ASP A 53 15.493 -8.933 -13.084 1.00 5.01 H new ATOM 0 HB2 ASP A 53 17.407 -10.210 -12.011 1.00 51.11 H new ATOM 0 HB3 ASP A 53 17.776 -10.884 -13.586 1.00 51.11 H new ATOM 816 N GLU A 54 16.063 -10.941 -15.658 1.00 10.04 N ATOM 817 CA GLU A 54 15.994 -11.024 -17.112 1.00 32.52 C ATOM 818 C GLU A 54 14.649 -10.516 -17.623 1.00 12.24 C ATOM 819 O GLU A 54 14.572 -9.880 -18.674 1.00 71.23 O ATOM 820 CB GLU A 54 16.215 -12.467 -17.573 1.00 54.41 C ATOM 821 CG GLU A 54 16.341 -12.611 -19.080 1.00 51.14 C ATOM 822 CD GLU A 54 16.966 -13.930 -19.490 1.00 22.32 C ATOM 823 OE1 GLU A 54 17.819 -14.443 -18.735 1.00 51.23 O ATOM 824 OE2 GLU A 54 16.602 -14.450 -20.565 1.00 72.23 O ATOM 0 H GLU A 54 16.353 -11.805 -15.199 1.00 10.04 H new ATOM 0 HA GLU A 54 16.781 -10.393 -17.524 1.00 32.52 H new ATOM 0 HB2 GLU A 54 17.118 -12.856 -17.102 1.00 54.41 H new ATOM 0 HB3 GLU A 54 15.385 -13.082 -17.226 1.00 54.41 H new ATOM 0 HG2 GLU A 54 15.353 -12.525 -19.533 1.00 51.14 H new ATOM 0 HG3 GLU A 54 16.944 -11.791 -19.470 1.00 51.14 H new ATOM 831 N TYR A 55 13.591 -10.801 -16.871 1.00 3.31 N ATOM 832 CA TYR A 55 12.249 -10.375 -17.248 1.00 74.51 C ATOM 833 C TYR A 55 12.058 -8.884 -16.992 1.00 54.42 C ATOM 834 O TYR A 55 11.796 -8.112 -17.916 1.00 12.54 O ATOM 835 CB TYR A 55 11.201 -11.175 -16.472 1.00 72.53 C ATOM 836 CG TYR A 55 9.794 -10.643 -16.629 1.00 63.33 C ATOM 837 CD1 TYR A 55 9.065 -10.883 -17.787 1.00 35.31 C ATOM 838 CD2 TYR A 55 9.195 -9.901 -15.619 1.00 73.10 C ATOM 839 CE1 TYR A 55 7.780 -10.398 -17.935 1.00 34.23 C ATOM 840 CE2 TYR A 55 7.910 -9.413 -15.758 1.00 34.34 C ATOM 841 CZ TYR A 55 7.206 -9.664 -16.917 1.00 64.13 C ATOM 842 OH TYR A 55 5.926 -9.180 -17.060 1.00 61.42 O ATOM 0 H TYR A 55 13.637 -11.325 -15.997 1.00 3.31 H new ATOM 0 HA TYR A 55 12.123 -10.561 -18.315 1.00 74.51 H new ATOM 0 HB2 TYR A 55 11.228 -12.212 -16.806 1.00 72.53 H new ATOM 0 HB3 TYR A 55 11.465 -11.174 -15.414 1.00 72.53 H new ATOM 0 HD1 TYR A 55 9.510 -11.458 -18.585 1.00 35.31 H new ATOM 0 HD2 TYR A 55 9.743 -9.702 -14.710 1.00 73.10 H new ATOM 0 HE1 TYR A 55 7.228 -10.592 -18.842 1.00 34.23 H new ATOM 0 HE2 TYR A 55 7.459 -8.838 -14.963 1.00 34.34 H new ATOM 0 HH TYR A 55 5.583 -8.899 -16.186 1.00 61.42 H new ATOM 852 N LEU A 56 12.191 -8.484 -15.732 1.00 62.52 N ATOM 853 CA LEU A 56 12.035 -7.085 -15.352 1.00 55.33 C ATOM 854 C LEU A 56 12.863 -6.179 -16.257 1.00 42.25 C ATOM 855 O LEU A 56 12.479 -5.043 -16.535 1.00 52.13 O ATOM 856 CB LEU A 56 12.447 -6.883 -13.893 1.00 44.54 C ATOM 857 CG LEU A 56 11.374 -7.179 -12.845 1.00 5.10 C ATOM 858 CD1 LEU A 56 12.010 -7.678 -11.557 1.00 4.33 C ATOM 859 CD2 LEU A 56 10.531 -5.941 -12.581 1.00 15.43 C ATOM 0 H LEU A 56 12.407 -9.110 -14.956 1.00 62.52 H new ATOM 0 HA LEU A 56 10.984 -6.818 -15.466 1.00 55.33 H new ATOM 0 HB2 LEU A 56 13.310 -7.517 -13.689 1.00 44.54 H new ATOM 0 HB3 LEU A 56 12.773 -5.850 -13.768 1.00 44.54 H new ATOM 0 HG LEU A 56 10.722 -7.962 -13.231 1.00 5.10 H new ATOM 0 HD11 LEU A 56 11.231 -7.884 -10.823 1.00 4.33 H new ATOM 0 HD12 LEU A 56 12.570 -8.592 -11.758 1.00 4.33 H new ATOM 0 HD13 LEU A 56 12.686 -6.917 -11.166 1.00 4.33 H new ATOM 0 HD21 LEU A 56 9.772 -6.170 -11.833 1.00 15.43 H new ATOM 0 HD22 LEU A 56 11.170 -5.137 -12.216 1.00 15.43 H new ATOM 0 HD23 LEU A 56 10.046 -5.627 -13.505 1.00 15.43 H new ATOM 871 N SER A 57 14.001 -6.690 -16.716 1.00 62.20 N ATOM 872 CA SER A 57 14.885 -5.927 -17.589 1.00 3.20 C ATOM 873 C SER A 57 14.281 -5.783 -18.983 1.00 1.15 C ATOM 874 O SER A 57 14.105 -4.672 -19.484 1.00 44.22 O ATOM 875 CB SER A 57 16.254 -6.604 -17.682 1.00 2.44 C ATOM 876 OG SER A 57 17.278 -5.653 -17.920 1.00 71.34 O ATOM 0 H SER A 57 14.332 -7.630 -16.498 1.00 62.20 H new ATOM 0 HA SER A 57 15.008 -4.932 -17.160 1.00 3.20 H new ATOM 0 HB2 SER A 57 16.461 -7.142 -16.757 1.00 2.44 H new ATOM 0 HB3 SER A 57 16.245 -7.342 -18.484 1.00 2.44 H new ATOM 0 HG SER A 57 18.143 -6.110 -17.974 1.00 71.34 H new ATOM 882 N LEU A 58 13.965 -6.914 -19.603 1.00 21.21 N ATOM 883 CA LEU A 58 13.380 -6.916 -20.939 1.00 61.43 C ATOM 884 C LEU A 58 12.084 -6.113 -20.968 1.00 33.35 C ATOM 885 O LEU A 58 11.859 -5.309 -21.872 1.00 75.43 O ATOM 886 CB LEU A 58 13.115 -8.351 -21.399 1.00 52.00 C ATOM 887 CG LEU A 58 14.300 -9.085 -22.027 1.00 43.43 C ATOM 888 CD1 LEU A 58 14.286 -10.554 -21.638 1.00 33.54 C ATOM 889 CD2 LEU A 58 14.280 -8.932 -23.541 1.00 62.03 C ATOM 0 H LEU A 58 14.104 -7.842 -19.202 1.00 21.21 H new ATOM 0 HA LEU A 58 14.090 -6.448 -21.620 1.00 61.43 H new ATOM 0 HB2 LEU A 58 12.769 -8.928 -20.541 1.00 52.00 H new ATOM 0 HB3 LEU A 58 12.299 -8.335 -22.122 1.00 52.00 H new ATOM 0 HG LEU A 58 15.220 -8.640 -21.648 1.00 43.43 H new ATOM 0 HD11 LEU A 58 15.137 -11.059 -22.095 1.00 33.54 H new ATOM 0 HD12 LEU A 58 14.350 -10.644 -20.554 1.00 33.54 H new ATOM 0 HD13 LEU A 58 13.361 -11.014 -21.986 1.00 33.54 H new ATOM 0 HD21 LEU A 58 15.131 -9.461 -23.971 1.00 62.03 H new ATOM 0 HD22 LEU A 58 13.355 -9.350 -23.937 1.00 62.03 H new ATOM 0 HD23 LEU A 58 14.341 -7.875 -23.801 1.00 62.03 H new ATOM 901 N VAL A 59 11.234 -6.335 -19.969 1.00 44.12 N ATOM 902 CA VAL A 59 9.962 -5.630 -19.877 1.00 54.45 C ATOM 903 C VAL A 59 10.169 -4.119 -19.874 1.00 23.35 C ATOM 904 O VAL A 59 9.653 -3.409 -20.736 1.00 33.33 O ATOM 905 CB VAL A 59 9.186 -6.034 -18.609 1.00 43.54 C ATOM 906 CG1 VAL A 59 7.822 -5.361 -18.580 1.00 43.04 C ATOM 907 CG2 VAL A 59 9.046 -7.546 -18.530 1.00 73.25 C ATOM 0 H VAL A 59 11.404 -6.998 -19.213 1.00 44.12 H new ATOM 0 HA VAL A 59 9.380 -5.912 -20.755 1.00 54.45 H new ATOM 0 HB VAL A 59 9.748 -5.698 -17.737 1.00 43.54 H new ATOM 0 HG11 VAL A 59 7.289 -5.658 -17.677 1.00 43.04 H new ATOM 0 HG12 VAL A 59 7.950 -4.279 -18.586 1.00 43.04 H new ATOM 0 HG13 VAL A 59 7.248 -5.663 -19.456 1.00 43.04 H new ATOM 0 HG21 VAL A 59 8.495 -7.814 -17.628 1.00 73.25 H new ATOM 0 HG22 VAL A 59 8.507 -7.908 -19.405 1.00 73.25 H new ATOM 0 HG23 VAL A 59 10.036 -8.002 -18.500 1.00 73.25 H new ATOM 917 N ALA A 60 10.930 -3.635 -18.897 1.00 54.31 N ATOM 918 CA ALA A 60 11.208 -2.209 -18.782 1.00 41.41 C ATOM 919 C ALA A 60 11.704 -1.637 -20.106 1.00 71.52 C ATOM 920 O ALA A 60 11.147 -0.669 -20.623 1.00 13.23 O ATOM 921 CB ALA A 60 12.228 -1.957 -17.682 1.00 23.24 C ATOM 0 H ALA A 60 11.364 -4.209 -18.175 1.00 54.31 H new ATOM 0 HA ALA A 60 10.278 -1.703 -18.523 1.00 41.41 H new ATOM 0 HB1 ALA A 60 12.426 -0.888 -17.607 1.00 23.24 H new ATOM 0 HB2 ALA A 60 11.836 -2.321 -16.732 1.00 23.24 H new ATOM 0 HB3 ALA A 60 13.154 -2.482 -17.917 1.00 23.24 H new ATOM 927 N ARG A 61 12.754 -2.243 -20.650 1.00 64.22 N ATOM 928 CA ARG A 61 13.326 -1.793 -21.914 1.00 22.15 C ATOM 929 C ARG A 61 12.243 -1.640 -22.977 1.00 34.11 C ATOM 930 O ARG A 61 12.225 -0.661 -23.724 1.00 72.02 O ATOM 931 CB ARG A 61 14.393 -2.779 -22.395 1.00 13.41 C ATOM 932 CG ARG A 61 15.337 -2.195 -23.433 1.00 50.01 C ATOM 933 CD ARG A 61 16.357 -3.223 -23.899 1.00 55.40 C ATOM 934 NE ARG A 61 17.448 -2.609 -24.651 1.00 52.00 N ATOM 935 CZ ARG A 61 18.426 -1.908 -24.088 1.00 34.34 C ATOM 936 NH1 ARG A 61 18.448 -1.734 -22.773 1.00 45.14 N ATOM 937 NH2 ARG A 61 19.384 -1.381 -24.839 1.00 54.21 N ATOM 0 H ARG A 61 13.226 -3.047 -20.236 1.00 64.22 H new ATOM 0 HA ARG A 61 13.788 -0.820 -21.749 1.00 22.15 H new ATOM 0 HB2 ARG A 61 14.974 -3.119 -21.538 1.00 13.41 H new ATOM 0 HB3 ARG A 61 13.902 -3.656 -22.816 1.00 13.41 H new ATOM 0 HG2 ARG A 61 14.763 -1.837 -24.288 1.00 50.01 H new ATOM 0 HG3 ARG A 61 15.854 -1.333 -23.012 1.00 50.01 H new ATOM 0 HD2 ARG A 61 16.763 -3.748 -23.035 1.00 55.40 H new ATOM 0 HD3 ARG A 61 15.862 -3.968 -24.522 1.00 55.40 H new ATOM 0 HE ARG A 61 17.460 -2.725 -25.664 1.00 52.00 H new ATOM 0 HH11 ARG A 61 17.713 -2.139 -22.193 1.00 45.14 H new ATOM 0 HH12 ARG A 61 19.200 -1.196 -22.342 1.00 45.14 H new ATOM 0 HH21 ARG A 61 19.370 -1.514 -25.850 1.00 54.21 H new ATOM 0 HH22 ARG A 61 20.134 -0.843 -24.405 1.00 54.21 H new ATOM 951 N LEU A 62 11.341 -2.614 -23.040 1.00 2.23 N ATOM 952 CA LEU A 62 10.254 -2.588 -24.012 1.00 32.20 C ATOM 953 C LEU A 62 9.367 -1.364 -23.805 1.00 62.42 C ATOM 954 O LEU A 62 9.166 -0.569 -24.724 1.00 30.42 O ATOM 955 CB LEU A 62 9.416 -3.863 -23.903 1.00 60.42 C ATOM 956 CG LEU A 62 8.209 -3.955 -24.838 1.00 23.42 C ATOM 957 CD1 LEU A 62 8.182 -5.303 -25.543 1.00 12.50 C ATOM 958 CD2 LEU A 62 6.918 -3.729 -24.065 1.00 71.42 C ATOM 0 H LEU A 62 11.341 -3.431 -22.429 1.00 2.23 H new ATOM 0 HA LEU A 62 10.692 -2.532 -25.009 1.00 32.20 H new ATOM 0 HB2 LEU A 62 10.065 -4.718 -24.095 1.00 60.42 H new ATOM 0 HB3 LEU A 62 9.063 -3.955 -22.876 1.00 60.42 H new ATOM 0 HG LEU A 62 8.298 -3.175 -25.594 1.00 23.42 H new ATOM 0 HD11 LEU A 62 7.317 -5.351 -26.204 1.00 12.50 H new ATOM 0 HD12 LEU A 62 9.093 -5.426 -26.129 1.00 12.50 H new ATOM 0 HD13 LEU A 62 8.117 -6.100 -24.802 1.00 12.50 H new ATOM 0 HD21 LEU A 62 6.070 -3.798 -24.746 1.00 71.42 H new ATOM 0 HD22 LEU A 62 6.822 -4.487 -23.288 1.00 71.42 H new ATOM 0 HD23 LEU A 62 6.936 -2.740 -23.607 1.00 71.42 H new ATOM 970 N ILE A 63 8.842 -1.219 -22.594 1.00 12.25 N ATOM 971 CA ILE A 63 7.980 -0.090 -22.266 1.00 32.12 C ATOM 972 C ILE A 63 8.682 1.236 -22.539 1.00 22.42 C ATOM 973 O ILE A 63 8.135 2.113 -23.207 1.00 0.41 O ATOM 974 CB ILE A 63 7.537 -0.129 -20.791 1.00 70.32 C ATOM 975 CG1 ILE A 63 6.478 -1.214 -20.583 1.00 11.22 C ATOM 976 CG2 ILE A 63 7.003 1.229 -20.362 1.00 44.21 C ATOM 977 CD1 ILE A 63 6.114 -1.431 -19.131 1.00 34.41 C ATOM 0 H ILE A 63 8.998 -1.869 -21.823 1.00 12.25 H new ATOM 0 HA ILE A 63 7.100 -0.170 -22.904 1.00 32.12 H new ATOM 0 HB ILE A 63 8.402 -0.369 -20.173 1.00 70.32 H new ATOM 0 HG12 ILE A 63 5.580 -0.945 -21.138 1.00 11.22 H new ATOM 0 HG13 ILE A 63 6.843 -2.152 -21.002 1.00 11.22 H new ATOM 0 HG21 ILE A 63 6.694 1.185 -19.318 1.00 44.21 H new ATOM 0 HG22 ILE A 63 7.784 1.980 -20.478 1.00 44.21 H new ATOM 0 HG23 ILE A 63 6.148 1.496 -20.982 1.00 44.21 H new ATOM 0 HD11 ILE A 63 5.359 -2.213 -19.058 1.00 34.41 H new ATOM 0 HD12 ILE A 63 7.002 -1.731 -18.574 1.00 34.41 H new ATOM 0 HD13 ILE A 63 5.719 -0.505 -18.713 1.00 34.41 H new ATOM 989 N ILE A 64 9.897 1.373 -22.019 1.00 65.24 N ATOM 990 CA ILE A 64 10.676 2.590 -22.210 1.00 1.22 C ATOM 991 C ILE A 64 10.811 2.931 -23.690 1.00 71.41 C ATOM 992 O ILE A 64 10.646 4.083 -24.091 1.00 13.43 O ATOM 993 CB ILE A 64 12.082 2.461 -21.594 1.00 51.42 C ATOM 994 CG1 ILE A 64 11.989 2.373 -20.070 1.00 34.25 C ATOM 995 CG2 ILE A 64 12.952 3.638 -22.010 1.00 11.45 C ATOM 996 CD1 ILE A 64 12.892 1.319 -19.469 1.00 60.51 C ATOM 0 H ILE A 64 10.363 0.657 -21.462 1.00 65.24 H new ATOM 0 HA ILE A 64 10.138 3.391 -21.703 1.00 1.22 H new ATOM 0 HB ILE A 64 12.542 1.545 -21.964 1.00 51.42 H new ATOM 0 HG12 ILE A 64 12.242 3.343 -19.642 1.00 34.25 H new ATOM 0 HG13 ILE A 64 10.958 2.160 -19.789 1.00 34.25 H new ATOM 0 HG21 ILE A 64 13.942 3.533 -21.567 1.00 11.45 H new ATOM 0 HG22 ILE A 64 13.041 3.659 -23.096 1.00 11.45 H new ATOM 0 HG23 ILE A 64 12.497 4.567 -21.665 1.00 11.45 H new ATOM 0 HD11 ILE A 64 12.774 1.313 -18.385 1.00 60.51 H new ATOM 0 HD12 ILE A 64 12.625 0.341 -19.868 1.00 60.51 H new ATOM 0 HD13 ILE A 64 13.929 1.543 -19.719 1.00 60.51 H new ATOM 1008 N HIS A 65 11.110 1.920 -24.499 1.00 63.54 N ATOM 1009 CA HIS A 65 11.265 2.111 -25.937 1.00 52.01 C ATOM 1010 C HIS A 65 9.981 2.659 -26.553 1.00 60.44 C ATOM 1011 O HIS A 65 10.021 3.472 -27.477 1.00 3.14 O ATOM 1012 CB HIS A 65 11.646 0.792 -26.611 1.00 15.24 C ATOM 1013 CG HIS A 65 12.698 0.940 -27.666 1.00 10.42 C ATOM 1014 ND1 HIS A 65 13.884 0.238 -27.649 1.00 45.03 N ATOM 1015 CD2 HIS A 65 12.737 1.715 -28.775 1.00 54.20 C ATOM 1016 CE1 HIS A 65 14.608 0.576 -28.702 1.00 21.43 C ATOM 1017 NE2 HIS A 65 13.934 1.470 -29.401 1.00 51.34 N ATOM 0 H HIS A 65 11.250 0.960 -24.184 1.00 63.54 H new ATOM 0 HA HIS A 65 12.063 2.836 -26.098 1.00 52.01 H new ATOM 0 HB2 HIS A 65 12.000 0.095 -25.852 1.00 15.24 H new ATOM 0 HB3 HIS A 65 10.755 0.351 -27.058 1.00 15.24 H new ATOM 0 HD2 HIS A 65 11.969 2.399 -29.106 1.00 54.20 H new ATOM 0 HE1 HIS A 65 15.585 0.187 -28.948 1.00 21.43 H new ATOM 0 HE2 HIS A 65 14.251 1.908 -30.266 1.00 51.34 H new ATOM 1025 N PHE A 66 8.843 2.207 -26.037 1.00 70.52 N ATOM 1026 CA PHE A 66 7.547 2.650 -26.538 1.00 21.21 C ATOM 1027 C PHE A 66 7.327 4.130 -26.242 1.00 1.42 C ATOM 1028 O PHE A 66 6.871 4.885 -27.101 1.00 34.02 O ATOM 1029 CB PHE A 66 6.424 1.821 -25.912 1.00 31.51 C ATOM 1030 CG PHE A 66 6.114 0.562 -26.670 1.00 61.42 C ATOM 1031 CD1 PHE A 66 5.496 0.618 -27.909 1.00 62.50 C ATOM 1032 CD2 PHE A 66 6.440 -0.678 -26.144 1.00 3.12 C ATOM 1033 CE1 PHE A 66 5.210 -0.539 -28.610 1.00 20.13 C ATOM 1034 CE2 PHE A 66 6.157 -1.838 -26.840 1.00 0.21 C ATOM 1035 CZ PHE A 66 5.540 -1.768 -28.074 1.00 21.42 C ATOM 0 H PHE A 66 8.792 1.534 -25.272 1.00 70.52 H new ATOM 0 HA PHE A 66 7.535 2.508 -27.619 1.00 21.21 H new ATOM 0 HB2 PHE A 66 6.701 1.561 -24.890 1.00 31.51 H new ATOM 0 HB3 PHE A 66 5.523 2.431 -25.853 1.00 31.51 H new ATOM 0 HD1 PHE A 66 5.235 1.577 -28.332 1.00 62.50 H new ATOM 0 HD2 PHE A 66 6.921 -0.739 -25.179 1.00 3.12 H new ATOM 0 HE1 PHE A 66 4.729 -0.482 -29.575 1.00 20.13 H new ATOM 0 HE2 PHE A 66 6.418 -2.798 -26.420 1.00 0.21 H new ATOM 0 HZ PHE A 66 5.316 -2.673 -28.619 1.00 21.42 H new