USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 180:sc=0.000671 USER MOD Single : A 17 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.6!) USER MOD Single : A 19 TYR OH : rot -15:sc= -0.634! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.81 K(o=-0.81,f=-2.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 5:sc= -3.57! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 106:sc= 0.261 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.412 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.753 F(o=-2!,f=-0.75) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -161:sc= 0 (180deg=-0.593) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.00635 USER MOD Single : A 122 TYR OH : rot -33:sc= 0.28 USER MOD Single : A 124 GLN : amide:sc= -0.0235 X(o=-0.024,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 3.097 8.485 -3.734 1.00 64.12 N ATOM 118 CA PHE A 11 2.528 7.546 -4.695 1.00 30.30 C ATOM 119 C PHE A 11 3.131 7.753 -6.081 1.00 20.11 C ATOM 120 O PHE A 11 2.497 8.329 -6.967 1.00 63.50 O ATOM 121 CB PHE A 11 1.008 7.707 -4.757 1.00 52.23 C ATOM 122 CG PHE A 11 0.316 7.383 -3.463 1.00 42.54 C ATOM 123 CD1 PHE A 11 0.449 8.218 -2.365 1.00 22.31 C ATOM 124 CD2 PHE A 11 -0.466 6.246 -3.346 1.00 40.20 C ATOM 125 CE1 PHE A 11 -0.186 7.923 -1.174 1.00 1.24 C ATOM 126 CE2 PHE A 11 -1.103 5.947 -2.157 1.00 63.24 C ATOM 127 CZ PHE A 11 -0.962 6.786 -1.069 1.00 15.14 C ATOM 0 HA PHE A 11 2.766 6.535 -4.363 1.00 30.30 H new ATOM 0 HB2 PHE A 11 0.771 8.733 -5.039 1.00 52.23 H new ATOM 0 HB3 PHE A 11 0.614 7.061 -5.542 1.00 52.23 H new ATOM 0 HD1 PHE A 11 1.055 9.109 -2.441 1.00 22.31 H new ATOM 0 HD2 PHE A 11 -0.579 5.586 -4.193 1.00 40.20 H new ATOM 0 HE1 PHE A 11 -0.075 8.582 -0.325 1.00 1.24 H new ATOM 0 HE2 PHE A 11 -1.711 5.058 -2.078 1.00 63.24 H new ATOM 0 HZ PHE A 11 -1.458 6.553 -0.138 1.00 15.14 H new ATOM 137 N THR A 12 4.360 7.281 -6.263 1.00 23.45 N ATOM 138 CA THR A 12 5.050 7.415 -7.539 1.00 15.12 C ATOM 139 C THR A 12 5.477 6.055 -8.079 1.00 74.12 C ATOM 140 O THR A 12 5.469 5.060 -7.355 1.00 52.25 O ATOM 141 CB THR A 12 6.292 8.318 -7.414 1.00 13.44 C ATOM 142 OG1 THR A 12 7.235 7.732 -6.510 1.00 22.14 O ATOM 143 CG2 THR A 12 5.906 9.705 -6.923 1.00 33.43 C ATOM 0 H THR A 12 4.898 6.802 -5.541 1.00 23.45 H new ATOM 0 HA THR A 12 4.345 7.873 -8.233 1.00 15.12 H new ATOM 0 HB THR A 12 6.745 8.412 -8.401 1.00 13.44 H new ATOM 0 HG1 THR A 12 8.022 8.311 -6.438 1.00 22.14 H new ATOM 0 HG21 THR A 12 6.799 10.324 -6.843 1.00 33.43 H new ATOM 0 HG22 THR A 12 5.211 10.160 -7.629 1.00 33.43 H new ATOM 0 HG23 THR A 12 5.431 9.626 -5.945 1.00 33.43 H new ATOM 151 N GLU A 13 5.849 6.020 -9.355 1.00 0.31 N ATOM 152 CA GLU A 13 6.279 4.781 -9.990 1.00 64.33 C ATOM 153 C GLU A 13 7.525 4.222 -9.307 1.00 52.24 C ATOM 154 O GLU A 13 7.658 3.012 -9.131 1.00 74.42 O ATOM 155 CB GLU A 13 6.561 5.015 -11.476 1.00 72.44 C ATOM 156 CG GLU A 13 6.304 3.795 -12.345 1.00 34.34 C ATOM 157 CD GLU A 13 6.974 3.891 -13.701 1.00 4.21 C ATOM 158 OE1 GLU A 13 8.195 4.153 -13.741 1.00 11.00 O ATOM 159 OE2 GLU A 13 6.279 3.707 -14.722 1.00 1.13 O ATOM 0 H GLU A 13 5.861 6.835 -9.968 1.00 0.31 H new ATOM 0 HA GLU A 13 5.474 4.053 -9.890 1.00 64.33 H new ATOM 0 HB2 GLU A 13 5.941 5.839 -11.829 1.00 72.44 H new ATOM 0 HB3 GLU A 13 7.600 5.323 -11.596 1.00 72.44 H new ATOM 0 HG2 GLU A 13 6.663 2.904 -11.829 1.00 34.34 H new ATOM 0 HG3 GLU A 13 5.230 3.672 -12.483 1.00 34.34 H new ATOM 166 N ALA A 14 8.433 5.114 -8.926 1.00 64.23 N ATOM 167 CA ALA A 14 9.666 4.712 -8.262 1.00 24.23 C ATOM 168 C ALA A 14 9.373 3.995 -6.948 1.00 64.44 C ATOM 169 O ALA A 14 9.859 2.889 -6.712 1.00 64.33 O ATOM 170 CB ALA A 14 10.555 5.922 -8.019 1.00 1.44 C ATOM 0 H ALA A 14 8.338 6.120 -9.066 1.00 64.23 H new ATOM 0 HA ALA A 14 10.191 4.016 -8.916 1.00 24.23 H new ATOM 0 HB1 ALA A 14 11.472 5.606 -7.522 1.00 1.44 H new ATOM 0 HB2 ALA A 14 10.801 6.390 -8.972 1.00 1.44 H new ATOM 0 HB3 ALA A 14 10.029 6.639 -7.388 1.00 1.44 H new ATOM 176 N TRP A 15 8.577 4.633 -6.097 1.00 65.44 N ATOM 177 CA TRP A 15 8.221 4.055 -4.806 1.00 62.01 C ATOM 178 C TRP A 15 7.399 2.784 -4.986 1.00 73.32 C ATOM 179 O TRP A 15 7.551 1.824 -4.232 1.00 72.34 O ATOM 180 CB TRP A 15 7.438 5.069 -3.970 1.00 1.23 C ATOM 181 CG TRP A 15 7.190 4.614 -2.564 1.00 61.33 C ATOM 182 CD1 TRP A 15 7.989 4.832 -1.478 1.00 30.41 C ATOM 183 CD2 TRP A 15 6.067 3.861 -2.093 1.00 30.10 C ATOM 184 NE1 TRP A 15 7.431 4.260 -0.360 1.00 51.42 N ATOM 185 CE2 TRP A 15 6.250 3.659 -0.710 1.00 43.05 C ATOM 186 CE3 TRP A 15 4.923 3.340 -2.703 1.00 30.50 C ATOM 187 CZ2 TRP A 15 5.333 2.958 0.067 1.00 65.22 C ATOM 188 CZ3 TRP A 15 4.014 2.643 -1.929 1.00 41.44 C ATOM 189 CH2 TRP A 15 4.222 2.458 -0.556 1.00 43.01 C ATOM 0 H TRP A 15 8.166 5.549 -6.277 1.00 65.44 H new ATOM 0 HA TRP A 15 9.143 3.798 -4.284 1.00 62.01 H new ATOM 0 HB2 TRP A 15 7.986 6.011 -3.948 1.00 1.23 H new ATOM 0 HB3 TRP A 15 6.482 5.267 -4.454 1.00 1.23 H new ATOM 0 HD1 TRP A 15 8.923 5.375 -1.495 1.00 30.41 H new ATOM 0 HE1 TRP A 15 7.831 4.280 0.578 1.00 51.42 H new ATOM 0 HE3 TRP A 15 4.752 3.479 -3.760 1.00 30.50 H new ATOM 0 HZ2 TRP A 15 5.493 2.813 1.125 1.00 65.22 H new ATOM 0 HZ3 TRP A 15 3.128 2.234 -2.391 1.00 41.44 H new ATOM 0 HH2 TRP A 15 3.492 1.911 0.022 1.00 43.01 H new ATOM 200 N ALA A 16 6.528 2.785 -5.991 1.00 10.44 N ATOM 201 CA ALA A 16 5.683 1.631 -6.270 1.00 64.24 C ATOM 202 C ALA A 16 6.524 0.411 -6.635 1.00 45.25 C ATOM 203 O ALA A 16 6.200 -0.713 -6.254 1.00 70.13 O ATOM 204 CB ALA A 16 4.704 1.952 -7.390 1.00 41.40 C ATOM 0 H ALA A 16 6.390 3.572 -6.625 1.00 10.44 H new ATOM 0 HA ALA A 16 5.121 1.396 -5.366 1.00 64.24 H new ATOM 0 HB1 ALA A 16 4.079 1.081 -7.588 1.00 41.40 H new ATOM 0 HB2 ALA A 16 4.074 2.791 -7.093 1.00 41.40 H new ATOM 0 HB3 ALA A 16 5.257 2.215 -8.292 1.00 41.40 H new ATOM 210 N GLN A 17 7.604 0.642 -7.375 1.00 13.33 N ATOM 211 CA GLN A 17 8.490 -0.439 -7.791 1.00 1.12 C ATOM 212 C GLN A 17 9.481 -0.787 -6.686 1.00 31.41 C ATOM 213 O GLN A 17 9.544 -1.929 -6.232 1.00 11.11 O ATOM 214 CB GLN A 17 9.243 -0.047 -9.064 1.00 22.33 C ATOM 215 CG GLN A 17 8.345 0.108 -10.280 1.00 31.01 C ATOM 216 CD GLN A 17 8.858 -0.653 -11.486 1.00 30.33 C ATOM 217 OE1 GLN A 17 10.041 -0.982 -11.569 1.00 23.24 O ATOM 218 NE2 GLN A 17 7.967 -0.937 -12.430 1.00 5.43 N ATOM 0 H GLN A 17 7.886 1.567 -7.698 1.00 13.33 H new ATOM 0 HA GLN A 17 7.879 -1.318 -7.995 1.00 1.12 H new ATOM 0 HB2 GLN A 17 9.770 0.891 -8.890 1.00 22.33 H new ATOM 0 HB3 GLN A 17 10.000 -0.803 -9.276 1.00 22.33 H new ATOM 0 HG2 GLN A 17 7.343 -0.243 -10.034 1.00 31.01 H new ATOM 0 HG3 GLN A 17 8.260 1.165 -10.532 1.00 31.01 H new ATOM 0 HE21 GLN A 17 6.996 -0.645 -12.319 1.00 5.43 H new ATOM 0 HE22 GLN A 17 8.254 -1.447 -13.265 1.00 5.43 H new ATOM 227 N ALA A 18 10.253 0.205 -6.257 1.00 5.30 N ATOM 228 CA ALA A 18 11.240 0.004 -5.203 1.00 24.21 C ATOM 229 C ALA A 18 10.602 -0.613 -3.963 1.00 23.00 C ATOM 230 O ALA A 18 11.263 -1.320 -3.201 1.00 34.44 O ATOM 231 CB ALA A 18 11.913 1.323 -4.852 1.00 24.22 C ATOM 0 H ALA A 18 10.214 1.156 -6.623 1.00 5.30 H new ATOM 0 HA ALA A 18 11.995 -0.689 -5.574 1.00 24.21 H new ATOM 0 HB1 ALA A 18 12.648 1.158 -4.064 1.00 24.22 H new ATOM 0 HB2 ALA A 18 12.412 1.723 -5.735 1.00 24.22 H new ATOM 0 HB3 ALA A 18 11.162 2.034 -4.506 1.00 24.22 H new ATOM 237 N TYR A 19 9.318 -0.341 -3.768 1.00 71.13 N ATOM 238 CA TYR A 19 8.591 -0.868 -2.619 1.00 11.00 C ATOM 239 C TYR A 19 8.212 -2.330 -2.837 1.00 42.32 C ATOM 240 O TYR A 19 7.981 -3.073 -1.882 1.00 44.12 O ATOM 241 CB TYR A 19 7.334 -0.037 -2.360 1.00 14.43 C ATOM 242 CG TYR A 19 6.476 -0.571 -1.234 1.00 51.54 C ATOM 243 CD1 TYR A 19 7.046 -1.236 -0.156 1.00 3.44 C ATOM 244 CD2 TYR A 19 5.096 -0.409 -1.250 1.00 2.14 C ATOM 245 CE1 TYR A 19 6.267 -1.725 0.874 1.00 74.21 C ATOM 246 CE2 TYR A 19 4.309 -0.894 -0.223 1.00 33.03 C ATOM 247 CZ TYR A 19 4.899 -1.551 0.836 1.00 30.44 C ATOM 248 OH TYR A 19 4.119 -2.036 1.861 1.00 71.53 O ATOM 0 H TYR A 19 8.758 0.242 -4.390 1.00 71.13 H new ATOM 0 HA TYR A 19 9.245 -0.807 -1.749 1.00 11.00 H new ATOM 0 HB2 TYR A 19 7.627 0.987 -2.128 1.00 14.43 H new ATOM 0 HB3 TYR A 19 6.739 0.001 -3.273 1.00 14.43 H new ATOM 0 HD1 TYR A 19 8.117 -1.373 -0.123 1.00 3.44 H new ATOM 0 HD2 TYR A 19 4.631 0.104 -2.079 1.00 2.14 H new ATOM 0 HE1 TYR A 19 6.726 -2.241 1.705 1.00 74.21 H new ATOM 0 HE2 TYR A 19 3.238 -0.759 -0.250 1.00 33.03 H new ATOM 0 HH TYR A 19 4.640 -2.670 2.397 1.00 71.53 H new ATOM 258 N CYS A 20 8.151 -2.736 -4.100 1.00 23.41 N ATOM 259 CA CYS A 20 7.800 -4.108 -4.446 1.00 43.14 C ATOM 260 C CYS A 20 8.993 -5.040 -4.251 1.00 3.31 C ATOM 261 O CYS A 20 8.870 -6.104 -3.645 1.00 35.31 O ATOM 262 CB CYS A 20 7.313 -4.182 -5.895 1.00 25.12 C ATOM 263 SG CYS A 20 6.863 -5.860 -6.443 1.00 31.22 S ATOM 0 H CYS A 20 8.340 -2.134 -4.902 1.00 23.41 H new ATOM 0 HA CYS A 20 6.997 -4.430 -3.783 1.00 43.14 H new ATOM 0 HB2 CYS A 20 6.448 -3.529 -6.010 1.00 25.12 H new ATOM 0 HB3 CYS A 20 8.094 -3.795 -6.550 1.00 25.12 H new ATOM 268 N ARG A 21 10.147 -4.632 -4.768 1.00 42.54 N ATOM 269 CA ARG A 21 11.362 -5.429 -4.652 1.00 43.24 C ATOM 270 C ARG A 21 11.814 -5.522 -3.198 1.00 3.31 C ATOM 271 O ARG A 21 12.263 -6.573 -2.741 1.00 64.13 O ATOM 272 CB ARG A 21 12.478 -4.827 -5.507 1.00 53.41 C ATOM 273 CG ARG A 21 12.737 -3.356 -5.221 1.00 43.44 C ATOM 274 CD ARG A 21 13.993 -2.865 -5.925 1.00 33.11 C ATOM 275 NE ARG A 21 15.098 -2.658 -4.992 1.00 52.45 N ATOM 276 CZ ARG A 21 16.169 -1.923 -5.273 1.00 30.51 C ATOM 277 NH1 ARG A 21 16.279 -1.331 -6.454 1.00 5.43 N ATOM 278 NH2 ARG A 21 17.132 -1.782 -4.371 1.00 42.21 N ATOM 0 H ARG A 21 10.266 -3.753 -5.272 1.00 42.54 H new ATOM 0 HA ARG A 21 11.142 -6.434 -5.011 1.00 43.24 H new ATOM 0 HB2 ARG A 21 13.397 -5.389 -5.338 1.00 53.41 H new ATOM 0 HB3 ARG A 21 12.221 -4.944 -6.560 1.00 53.41 H new ATOM 0 HG2 ARG A 21 11.881 -2.765 -5.546 1.00 43.44 H new ATOM 0 HG3 ARG A 21 12.838 -3.205 -4.146 1.00 43.44 H new ATOM 0 HD2 ARG A 21 14.290 -3.589 -6.684 1.00 33.11 H new ATOM 0 HD3 ARG A 21 13.776 -1.931 -6.443 1.00 33.11 H new ATOM 0 HE ARG A 21 15.045 -3.102 -4.075 1.00 52.45 H new ATOM 0 HH11 ARG A 21 15.541 -1.439 -7.149 1.00 5.43 H new ATOM 0 HH12 ARG A 21 17.102 -0.767 -6.667 1.00 5.43 H new ATOM 0 HH21 ARG A 21 17.050 -2.238 -3.462 1.00 42.21 H new ATOM 0 HH22 ARG A 21 17.954 -1.218 -4.587 1.00 42.21 H new ATOM 292 N LYS A 22 11.694 -4.413 -2.475 1.00 1.14 N ATOM 293 CA LYS A 22 12.089 -4.367 -1.072 1.00 22.10 C ATOM 294 C LYS A 22 11.399 -5.470 -0.276 1.00 74.53 C ATOM 295 O LYS A 22 11.966 -6.014 0.671 1.00 25.53 O ATOM 296 CB LYS A 22 11.752 -3.002 -0.470 1.00 51.54 C ATOM 297 CG LYS A 22 12.678 -2.590 0.661 1.00 1.15 C ATOM 298 CD LYS A 22 13.950 -1.947 0.135 1.00 45.23 C ATOM 299 CE LYS A 22 14.682 -1.182 1.227 1.00 34.31 C ATOM 300 NZ LYS A 22 16.132 -1.035 0.924 1.00 3.21 N ATOM 0 H LYS A 22 11.326 -3.534 -2.838 1.00 1.14 H new ATOM 0 HA LYS A 22 13.166 -4.524 -1.019 1.00 22.10 H new ATOM 0 HB2 LYS A 22 11.794 -2.248 -1.256 1.00 51.54 H new ATOM 0 HB3 LYS A 22 10.727 -3.021 -0.100 1.00 51.54 H new ATOM 0 HG2 LYS A 22 12.161 -1.891 1.319 1.00 1.15 H new ATOM 0 HG3 LYS A 22 12.932 -3.464 1.261 1.00 1.15 H new ATOM 0 HD2 LYS A 22 14.605 -2.716 -0.273 1.00 45.23 H new ATOM 0 HD3 LYS A 22 13.705 -1.270 -0.683 1.00 45.23 H new ATOM 0 HE2 LYS A 22 14.233 -0.195 1.343 1.00 34.31 H new ATOM 0 HE3 LYS A 22 14.560 -1.701 2.178 1.00 34.31 H new ATOM 0 HZ1 LYS A 22 16.595 -0.508 1.692 1.00 3.21 H new ATOM 0 HZ2 LYS A 22 16.566 -1.976 0.839 1.00 3.21 H new ATOM 0 HZ3 LYS A 22 16.249 -0.518 0.029 1.00 3.21 H new ATOM 314 N LEU A 23 10.172 -5.796 -0.667 1.00 51.22 N ATOM 315 CA LEU A 23 9.404 -6.836 0.010 1.00 2.41 C ATOM 316 C LEU A 23 10.020 -8.210 -0.230 1.00 70.33 C ATOM 317 O LEU A 23 10.061 -9.048 0.671 1.00 63.02 O ATOM 318 CB LEU A 23 7.953 -6.823 -0.475 1.00 40.25 C ATOM 319 CG LEU A 23 7.137 -5.580 -0.118 1.00 3.51 C ATOM 320 CD1 LEU A 23 5.800 -5.593 -0.842 1.00 54.51 C ATOM 321 CD2 LEU A 23 6.930 -5.492 1.387 1.00 30.43 C ATOM 0 H LEU A 23 9.687 -5.356 -1.449 1.00 51.22 H new ATOM 0 HA LEU A 23 9.425 -6.631 1.080 1.00 2.41 H new ATOM 0 HB2 LEU A 23 7.952 -6.934 -1.559 1.00 40.25 H new ATOM 0 HB3 LEU A 23 7.446 -7.696 -0.065 1.00 40.25 H new ATOM 0 HG LEU A 23 7.693 -4.699 -0.440 1.00 3.51 H new ATOM 0 HD11 LEU A 23 5.233 -4.701 -0.576 1.00 54.51 H new ATOM 0 HD12 LEU A 23 5.969 -5.607 -1.919 1.00 54.51 H new ATOM 0 HD13 LEU A 23 5.238 -6.480 -0.551 1.00 54.51 H new ATOM 0 HD21 LEU A 23 6.347 -4.601 1.623 1.00 30.43 H new ATOM 0 HD22 LEU A 23 6.396 -6.377 1.733 1.00 30.43 H new ATOM 0 HD23 LEU A 23 7.898 -5.434 1.885 1.00 30.43 H new ATOM 333 N ASN A 24 10.499 -8.434 -1.449 1.00 13.22 N ATOM 334 CA ASN A 24 11.114 -9.707 -1.807 1.00 43.31 C ATOM 335 C ASN A 24 12.397 -9.933 -1.011 1.00 61.11 C ATOM 336 O ASN A 24 12.949 -11.033 -1.007 1.00 22.55 O ATOM 337 CB ASN A 24 11.417 -9.748 -3.306 1.00 13.42 C ATOM 338 CG ASN A 24 10.235 -10.234 -4.122 1.00 1.25 C ATOM 339 OD1 ASN A 24 9.702 -11.316 -3.878 1.00 72.53 O ATOM 340 ND2 ASN A 24 9.819 -9.433 -5.097 1.00 3.11 N ATOM 0 H ASN A 24 10.473 -7.751 -2.206 1.00 13.22 H new ATOM 0 HA ASN A 24 10.410 -10.503 -1.564 1.00 43.31 H new ATOM 0 HB2 ASN A 24 11.703 -8.752 -3.643 1.00 13.42 H new ATOM 0 HB3 ASN A 24 12.271 -10.402 -3.483 1.00 13.42 H new ATOM 0 HD21 ASN A 24 9.027 -9.707 -5.679 1.00 3.11 H new ATOM 0 HD22 ASN A 24 10.291 -8.544 -5.263 1.00 3.11 H new ATOM 347 N GLU A 25 12.863 -8.885 -0.341 1.00 4.12 N ATOM 348 CA GLU A 25 14.081 -8.970 0.458 1.00 33.21 C ATOM 349 C GLU A 25 13.761 -9.375 1.894 1.00 4.42 C ATOM 350 O GLU A 25 14.596 -9.958 2.586 1.00 25.14 O ATOM 351 CB GLU A 25 14.820 -7.630 0.446 1.00 70.41 C ATOM 352 CG GLU A 25 15.018 -7.057 -0.947 1.00 53.43 C ATOM 353 CD GLU A 25 16.450 -6.632 -1.205 1.00 43.10 C ATOM 354 OE1 GLU A 25 17.080 -6.080 -0.278 1.00 22.21 O ATOM 355 OE2 GLU A 25 16.940 -6.850 -2.332 1.00 1.14 O ATOM 0 H GLU A 25 12.417 -7.968 -0.335 1.00 4.12 H new ATOM 0 HA GLU A 25 14.722 -9.733 0.018 1.00 33.21 H new ATOM 0 HB2 GLU A 25 14.264 -6.912 1.049 1.00 70.41 H new ATOM 0 HB3 GLU A 25 15.794 -7.757 0.919 1.00 70.41 H new ATOM 0 HG2 GLU A 25 14.725 -7.802 -1.687 1.00 53.43 H new ATOM 0 HG3 GLU A 25 14.359 -6.199 -1.080 1.00 53.43 H new ATOM 362 N SER A 26 12.548 -9.060 2.336 1.00 31.11 N ATOM 363 CA SER A 26 12.119 -9.386 3.691 1.00 60.00 C ATOM 364 C SER A 26 11.574 -10.810 3.760 1.00 2.31 C ATOM 365 O SER A 26 10.485 -11.093 3.262 1.00 1.13 O ATOM 366 CB SER A 26 11.054 -8.396 4.164 1.00 53.02 C ATOM 367 OG SER A 26 11.356 -7.899 5.456 1.00 44.23 O ATOM 0 H SER A 26 11.845 -8.579 1.775 1.00 31.11 H new ATOM 0 HA SER A 26 12.986 -9.315 4.347 1.00 60.00 H new ATOM 0 HB2 SER A 26 10.985 -7.567 3.459 1.00 53.02 H new ATOM 0 HB3 SER A 26 10.080 -8.885 4.178 1.00 53.02 H new ATOM 0 HG SER A 26 10.661 -7.267 5.734 1.00 44.23 H new ATOM 373 N GLU A 27 12.340 -11.700 4.383 1.00 64.34 N ATOM 374 CA GLU A 27 11.934 -13.094 4.517 1.00 24.21 C ATOM 375 C GLU A 27 10.629 -13.208 5.299 1.00 62.45 C ATOM 376 O GLU A 27 9.735 -13.968 4.928 1.00 42.05 O ATOM 377 CB GLU A 27 13.030 -13.903 5.213 1.00 63.24 C ATOM 378 CG GLU A 27 13.678 -14.947 4.318 1.00 34.34 C ATOM 379 CD GLU A 27 14.877 -14.408 3.564 1.00 53.44 C ATOM 380 OE1 GLU A 27 14.947 -13.176 3.367 1.00 11.32 O ATOM 381 OE2 GLU A 27 15.744 -15.215 3.170 1.00 74.12 O ATOM 0 H GLU A 27 13.244 -11.481 4.802 1.00 64.34 H new ATOM 0 HA GLU A 27 11.775 -13.497 3.517 1.00 24.21 H new ATOM 0 HB2 GLU A 27 13.798 -13.221 5.576 1.00 63.24 H new ATOM 0 HB3 GLU A 27 12.605 -14.398 6.086 1.00 63.24 H new ATOM 0 HG2 GLU A 27 13.988 -15.798 4.925 1.00 34.34 H new ATOM 0 HG3 GLU A 27 12.941 -15.316 3.605 1.00 34.34 H new ATOM 388 N ALA A 28 10.528 -12.448 6.384 1.00 34.51 N ATOM 389 CA ALA A 28 9.332 -12.462 7.218 1.00 63.30 C ATOM 390 C ALA A 28 8.069 -12.367 6.368 1.00 11.13 C ATOM 391 O ALA A 28 7.138 -13.155 6.533 1.00 44.45 O ATOM 392 CB ALA A 28 9.379 -11.324 8.227 1.00 42.03 C ATOM 0 H ALA A 28 11.260 -11.815 6.706 1.00 34.51 H new ATOM 0 HA ALA A 28 9.305 -13.409 7.757 1.00 63.30 H new ATOM 0 HB1 ALA A 28 8.480 -11.346 8.843 1.00 42.03 H new ATOM 0 HB2 ALA A 28 10.257 -11.437 8.863 1.00 42.03 H new ATOM 0 HB3 ALA A 28 9.434 -10.372 7.699 1.00 42.03 H new ATOM 398 N TYR A 29 8.044 -11.397 5.461 1.00 53.41 N ATOM 399 CA TYR A 29 6.893 -11.196 4.588 1.00 22.51 C ATOM 400 C TYR A 29 6.677 -12.407 3.685 1.00 25.02 C ATOM 401 O TYR A 29 5.565 -12.923 3.575 1.00 44.42 O ATOM 402 CB TYR A 29 7.085 -9.939 3.738 1.00 33.51 C ATOM 403 CG TYR A 29 5.999 -9.735 2.706 1.00 15.13 C ATOM 404 CD1 TYR A 29 4.665 -9.627 3.083 1.00 4.55 C ATOM 405 CD2 TYR A 29 6.305 -9.649 1.354 1.00 42.31 C ATOM 406 CE1 TYR A 29 3.670 -9.440 2.145 1.00 64.31 C ATOM 407 CE2 TYR A 29 5.316 -9.461 0.407 1.00 32.24 C ATOM 408 CZ TYR A 29 4.000 -9.359 0.808 1.00 14.53 C ATOM 409 OH TYR A 29 3.011 -9.172 -0.131 1.00 5.44 O ATOM 0 H TYR A 29 8.807 -10.737 5.311 1.00 53.41 H new ATOM 0 HA TYR A 29 6.010 -11.071 5.215 1.00 22.51 H new ATOM 0 HB2 TYR A 29 7.120 -9.069 4.394 1.00 33.51 H new ATOM 0 HB3 TYR A 29 8.049 -9.996 3.233 1.00 33.51 H new ATOM 0 HD1 TYR A 29 4.403 -9.691 4.129 1.00 4.55 H new ATOM 0 HD2 TYR A 29 7.334 -9.730 1.037 1.00 42.31 H new ATOM 0 HE1 TYR A 29 2.639 -9.358 2.456 1.00 64.31 H new ATOM 0 HE2 TYR A 29 5.572 -9.394 -0.640 1.00 32.24 H new ATOM 0 HH TYR A 29 2.152 -9.039 0.321 1.00 5.44 H new ATOM 419 N ARG A 30 7.751 -12.855 3.041 1.00 33.25 N ATOM 420 CA ARG A 30 7.680 -14.004 2.147 1.00 41.13 C ATOM 421 C ARG A 30 6.985 -15.180 2.827 1.00 65.14 C ATOM 422 O ARG A 30 6.390 -16.030 2.166 1.00 72.22 O ATOM 423 CB ARG A 30 9.084 -14.416 1.700 1.00 41.21 C ATOM 424 CG ARG A 30 9.285 -14.356 0.194 1.00 71.23 C ATOM 425 CD ARG A 30 8.654 -15.553 -0.500 1.00 43.53 C ATOM 426 NE ARG A 30 9.469 -16.034 -1.613 1.00 11.54 N ATOM 427 CZ ARG A 30 10.525 -16.826 -1.461 1.00 42.12 C ATOM 428 NH1 ARG A 30 10.891 -17.224 -0.251 1.00 35.04 N ATOM 429 NH2 ARG A 30 11.217 -17.221 -2.522 1.00 61.24 N ATOM 0 H ARG A 30 8.679 -12.440 3.122 1.00 33.25 H new ATOM 0 HA ARG A 30 7.097 -13.717 1.272 1.00 41.13 H new ATOM 0 HB2 ARG A 30 9.815 -13.767 2.182 1.00 41.21 H new ATOM 0 HB3 ARG A 30 9.283 -15.431 2.045 1.00 41.21 H new ATOM 0 HG2 ARG A 30 8.849 -13.436 -0.196 1.00 71.23 H new ATOM 0 HG3 ARG A 30 10.351 -14.324 -0.031 1.00 71.23 H new ATOM 0 HD2 ARG A 30 8.515 -16.358 0.221 1.00 43.53 H new ATOM 0 HD3 ARG A 30 7.665 -15.279 -0.867 1.00 43.53 H new ATOM 0 HE ARG A 30 9.214 -15.746 -2.558 1.00 11.54 H new ATOM 0 HH11 ARG A 30 10.362 -16.922 0.567 1.00 35.04 H new ATOM 0 HH12 ARG A 30 11.702 -17.832 -0.138 1.00 35.04 H new ATOM 0 HH21 ARG A 30 10.938 -16.917 -3.455 1.00 61.24 H new ATOM 0 HH22 ARG A 30 12.028 -17.829 -2.405 1.00 61.24 H new ATOM 443 N LYS A 31 7.068 -15.224 4.152 1.00 5.52 N ATOM 444 CA LYS A 31 6.448 -16.294 4.924 1.00 30.11 C ATOM 445 C LYS A 31 5.052 -15.892 5.389 1.00 41.02 C ATOM 446 O LYS A 31 4.062 -16.529 5.033 1.00 12.33 O ATOM 447 CB LYS A 31 7.317 -16.649 6.132 1.00 24.34 C ATOM 448 CG LYS A 31 8.750 -17.000 5.769 1.00 54.25 C ATOM 449 CD LYS A 31 9.539 -17.452 6.986 1.00 64.13 C ATOM 450 CE LYS A 31 10.598 -18.478 6.614 1.00 65.01 C ATOM 451 NZ LYS A 31 11.541 -18.734 7.737 1.00 20.52 N ATOM 0 H LYS A 31 7.560 -14.530 4.715 1.00 5.52 H new ATOM 0 HA LYS A 31 6.359 -17.168 4.279 1.00 30.11 H new ATOM 0 HB2 LYS A 31 7.322 -15.808 6.825 1.00 24.34 H new ATOM 0 HB3 LYS A 31 6.867 -17.492 6.657 1.00 24.34 H new ATOM 0 HG2 LYS A 31 8.753 -17.790 5.018 1.00 54.25 H new ATOM 0 HG3 LYS A 31 9.236 -16.133 5.321 1.00 54.25 H new ATOM 0 HD2 LYS A 31 10.015 -16.590 7.453 1.00 64.13 H new ATOM 0 HD3 LYS A 31 8.860 -17.880 7.723 1.00 64.13 H new ATOM 0 HE2 LYS A 31 10.114 -19.411 6.326 1.00 65.01 H new ATOM 0 HE3 LYS A 31 11.155 -18.127 5.745 1.00 65.01 H new ATOM 0 HZ1 LYS A 31 12.247 -19.439 7.443 1.00 20.52 H new ATOM 0 HZ2 LYS A 31 12.022 -17.849 7.995 1.00 20.52 H new ATOM 0 HZ3 LYS A 31 11.014 -19.094 8.558 1.00 20.52 H new ATOM 465 N ALA A 32 4.982 -14.830 6.185 1.00 22.20 N ATOM 466 CA ALA A 32 3.707 -14.340 6.696 1.00 64.21 C ATOM 467 C ALA A 32 2.669 -14.248 5.583 1.00 43.04 C ATOM 468 O ALA A 32 1.505 -14.596 5.777 1.00 62.12 O ATOM 469 CB ALA A 32 3.891 -12.985 7.363 1.00 65.32 C ATOM 0 H ALA A 32 5.793 -14.292 6.490 1.00 22.20 H new ATOM 0 HA ALA A 32 3.344 -15.051 7.438 1.00 64.21 H new ATOM 0 HB1 ALA A 32 2.931 -12.632 7.740 1.00 65.32 H new ATOM 0 HB2 ALA A 32 4.593 -13.080 8.191 1.00 65.32 H new ATOM 0 HB3 ALA A 32 4.281 -12.272 6.637 1.00 65.32 H new ATOM 475 N ALA A 33 3.099 -13.777 4.417 1.00 25.50 N ATOM 476 CA ALA A 33 2.207 -13.640 3.273 1.00 51.11 C ATOM 477 C ALA A 33 2.232 -14.894 2.405 1.00 74.02 C ATOM 478 O ALA A 33 2.111 -14.816 1.182 1.00 73.23 O ATOM 479 CB ALA A 33 2.587 -12.418 2.450 1.00 72.13 C ATOM 0 H ALA A 33 4.060 -13.484 4.240 1.00 25.50 H new ATOM 0 HA ALA A 33 1.192 -13.509 3.648 1.00 51.11 H new ATOM 0 HB1 ALA A 33 1.912 -12.328 1.599 1.00 72.13 H new ATOM 0 HB2 ALA A 33 2.511 -11.524 3.069 1.00 72.13 H new ATOM 0 HB3 ALA A 33 3.611 -12.525 2.092 1.00 72.13 H new ATOM 485 N SER A 34 2.388 -16.048 3.045 1.00 44.11 N ATOM 486 CA SER A 34 2.433 -17.319 2.329 1.00 4.23 C ATOM 487 C SER A 34 1.067 -17.661 1.744 1.00 1.03 C ATOM 488 O SER A 34 0.038 -17.498 2.401 1.00 32.33 O ATOM 489 CB SER A 34 2.895 -18.438 3.265 1.00 23.21 C ATOM 490 OG SER A 34 4.308 -18.552 3.264 1.00 62.11 O ATOM 0 H SER A 34 2.485 -16.130 4.057 1.00 44.11 H new ATOM 0 HA SER A 34 3.145 -17.222 1.510 1.00 4.23 H new ATOM 0 HB2 SER A 34 2.544 -18.238 4.277 1.00 23.21 H new ATOM 0 HB3 SER A 34 2.450 -19.383 2.954 1.00 23.21 H new ATOM 0 HG SER A 34 4.667 -18.181 4.097 1.00 62.11 H new ATOM 496 N THR A 35 1.064 -18.136 0.503 1.00 72.23 N ATOM 497 CA THR A 35 -0.175 -18.502 -0.173 1.00 42.31 C ATOM 498 C THR A 35 -1.122 -17.311 -0.265 1.00 61.34 C ATOM 499 O THR A 35 -2.342 -17.474 -0.255 1.00 13.13 O ATOM 500 CB THR A 35 -0.891 -19.658 0.552 1.00 44.24 C ATOM 501 OG1 THR A 35 0.046 -20.697 0.860 1.00 55.21 O ATOM 502 CG2 THR A 35 -2.016 -20.219 -0.305 1.00 3.30 C ATOM 0 H THR A 35 1.906 -18.277 -0.055 1.00 72.23 H new ATOM 0 HA THR A 35 0.096 -18.826 -1.178 1.00 42.31 H new ATOM 0 HB THR A 35 -1.319 -19.270 1.476 1.00 44.24 H new ATOM 0 HG1 THR A 35 -0.416 -21.427 1.322 1.00 55.21 H new ATOM 0 HG21 THR A 35 -2.507 -21.034 0.227 1.00 3.30 H new ATOM 0 HG22 THR A 35 -2.741 -19.433 -0.514 1.00 3.30 H new ATOM 0 HG23 THR A 35 -1.607 -20.593 -1.243 1.00 3.30 H new ATOM 510 N TRP A 36 -0.553 -16.115 -0.356 1.00 40.42 N ATOM 511 CA TRP A 36 -1.349 -14.895 -0.451 1.00 73.54 C ATOM 512 C TRP A 36 -1.968 -14.756 -1.837 1.00 3.31 C ATOM 513 O TRP A 36 -3.149 -15.040 -2.029 1.00 54.21 O ATOM 514 CB TRP A 36 -0.485 -13.672 -0.140 1.00 0.13 C ATOM 515 CG TRP A 36 -0.979 -12.415 -0.788 1.00 20.41 C ATOM 516 CD1 TRP A 36 -0.472 -11.815 -1.906 1.00 25.55 C ATOM 517 CD2 TRP A 36 -2.076 -11.602 -0.358 1.00 33.33 C ATOM 518 NE1 TRP A 36 -1.188 -10.679 -2.196 1.00 33.25 N ATOM 519 CE2 TRP A 36 -2.179 -10.527 -1.261 1.00 45.45 C ATOM 520 CE3 TRP A 36 -2.985 -11.681 0.702 1.00 44.35 C ATOM 521 CZ2 TRP A 36 -3.151 -9.538 -1.135 1.00 63.42 C ATOM 522 CZ3 TRP A 36 -3.949 -10.698 0.826 1.00 43.03 C ATOM 523 CH2 TRP A 36 -4.026 -9.639 -0.088 1.00 62.24 C ATOM 0 H TRP A 36 0.456 -15.963 -0.366 1.00 40.42 H new ATOM 0 HA TRP A 36 -2.154 -14.958 0.281 1.00 73.54 H new ATOM 0 HB2 TRP A 36 -0.450 -13.526 0.940 1.00 0.13 H new ATOM 0 HB3 TRP A 36 0.536 -13.865 -0.469 1.00 0.13 H new ATOM 0 HD1 TRP A 36 0.368 -12.180 -2.478 1.00 25.55 H new ATOM 0 HE1 TRP A 36 -1.011 -10.051 -2.980 1.00 33.25 H new ATOM 0 HE3 TRP A 36 -2.935 -12.495 1.410 1.00 44.35 H new ATOM 0 HZ2 TRP A 36 -3.212 -8.721 -1.838 1.00 63.42 H new ATOM 0 HZ3 TRP A 36 -4.655 -10.747 1.642 1.00 43.03 H new ATOM 0 HH2 TRP A 36 -4.791 -8.887 0.036 1.00 62.24 H new ATOM 534 N GLU A 37 -1.162 -14.318 -2.800 1.00 51.41 N ATOM 535 CA GLU A 37 -1.633 -14.141 -4.168 1.00 64.53 C ATOM 536 C GLU A 37 -2.682 -13.035 -4.244 1.00 33.42 C ATOM 537 O GLU A 37 -3.653 -13.033 -3.487 1.00 64.15 O ATOM 538 CB GLU A 37 -2.217 -15.450 -4.704 1.00 23.53 C ATOM 539 CG GLU A 37 -2.256 -15.523 -6.221 1.00 70.41 C ATOM 540 CD GLU A 37 -3.629 -15.889 -6.751 1.00 13.41 C ATOM 541 OE1 GLU A 37 -4.273 -16.783 -6.164 1.00 64.25 O ATOM 542 OE2 GLU A 37 -4.060 -15.280 -7.752 1.00 12.40 O ATOM 0 H GLU A 37 -0.181 -14.080 -2.657 1.00 51.41 H new ATOM 0 HA GLU A 37 -0.781 -13.853 -4.783 1.00 64.53 H new ATOM 0 HB2 GLU A 37 -1.627 -16.284 -4.324 1.00 23.53 H new ATOM 0 HB3 GLU A 37 -3.228 -15.572 -4.317 1.00 23.53 H new ATOM 0 HG2 GLU A 37 -1.955 -14.561 -6.635 1.00 70.41 H new ATOM 0 HG3 GLU A 37 -1.530 -16.259 -6.565 1.00 70.41 H new ATOM 549 N GLY A 38 -2.479 -12.097 -5.163 1.00 53.31 N ATOM 550 CA GLY A 38 -3.414 -10.999 -5.321 1.00 54.22 C ATOM 551 C GLY A 38 -2.739 -9.644 -5.235 1.00 21.00 C ATOM 552 O GLY A 38 -1.981 -9.379 -4.303 1.00 65.44 O ATOM 0 H GLY A 38 -1.684 -12.078 -5.801 1.00 53.31 H new ATOM 0 HA2 GLY A 38 -3.917 -11.090 -6.284 1.00 54.22 H new ATOM 0 HA3 GLY A 38 -4.183 -11.068 -4.552 1.00 54.22 H new ATOM 556 N SER A 39 -3.013 -8.785 -6.212 1.00 0.24 N ATOM 557 CA SER A 39 -2.421 -7.453 -6.246 1.00 73.33 C ATOM 558 C SER A 39 -3.272 -6.460 -5.460 1.00 23.42 C ATOM 559 O SER A 39 -4.499 -6.453 -5.569 1.00 72.31 O ATOM 560 CB SER A 39 -2.268 -6.977 -7.692 1.00 63.44 C ATOM 561 OG SER A 39 -3.530 -6.711 -8.278 1.00 11.00 O ATOM 0 H SER A 39 -3.641 -8.988 -6.990 1.00 0.24 H new ATOM 0 HA SER A 39 -1.436 -7.508 -5.782 1.00 73.33 H new ATOM 0 HB2 SER A 39 -1.654 -6.077 -7.719 1.00 63.44 H new ATOM 0 HB3 SER A 39 -1.746 -7.736 -8.275 1.00 63.44 H new ATOM 0 HG SER A 39 -3.404 -6.407 -9.201 1.00 11.00 H new ATOM 567 N LEU A 40 -2.612 -5.624 -4.667 1.00 2.14 N ATOM 568 CA LEU A 40 -3.306 -4.626 -3.860 1.00 45.55 C ATOM 569 C LEU A 40 -3.016 -3.217 -4.370 1.00 14.33 C ATOM 570 O LEU A 40 -1.869 -2.771 -4.374 1.00 21.53 O ATOM 571 CB LEU A 40 -2.889 -4.745 -2.394 1.00 24.51 C ATOM 572 CG LEU A 40 -3.599 -3.809 -1.415 1.00 3.20 C ATOM 573 CD1 LEU A 40 -5.053 -4.219 -1.243 1.00 44.10 C ATOM 574 CD2 LEU A 40 -2.882 -3.799 -0.072 1.00 52.21 C ATOM 0 H LEU A 40 -1.597 -5.617 -4.565 1.00 2.14 H new ATOM 0 HA LEU A 40 -4.377 -4.810 -3.942 1.00 45.55 H new ATOM 0 HB2 LEU A 40 -3.059 -5.772 -2.071 1.00 24.51 H new ATOM 0 HB3 LEU A 40 -1.816 -4.563 -2.326 1.00 24.51 H new ATOM 0 HG LEU A 40 -3.575 -2.799 -1.825 1.00 3.20 H new ATOM 0 HD11 LEU A 40 -5.542 -3.541 -0.543 1.00 44.10 H new ATOM 0 HD12 LEU A 40 -5.560 -4.173 -2.207 1.00 44.10 H new ATOM 0 HD13 LEU A 40 -5.101 -5.237 -0.856 1.00 44.10 H new ATOM 0 HD21 LEU A 40 -3.401 -3.128 0.612 1.00 52.21 H new ATOM 0 HD22 LEU A 40 -2.874 -4.806 0.344 1.00 52.21 H new ATOM 0 HD23 LEU A 40 -1.857 -3.456 -0.209 1.00 52.21 H new ATOM 586 N ALA A 41 -4.064 -2.521 -4.797 1.00 12.32 N ATOM 587 CA ALA A 41 -3.923 -1.161 -5.303 1.00 74.43 C ATOM 588 C ALA A 41 -4.326 -0.136 -4.248 1.00 32.45 C ATOM 589 O ALA A 41 -5.462 -0.134 -3.772 1.00 40.11 O ATOM 590 CB ALA A 41 -4.756 -0.979 -6.563 1.00 54.22 C ATOM 0 H ALA A 41 -5.020 -2.876 -4.803 1.00 12.32 H new ATOM 0 HA ALA A 41 -2.873 -0.998 -5.546 1.00 74.43 H new ATOM 0 HB1 ALA A 41 -4.642 0.041 -6.931 1.00 54.22 H new ATOM 0 HB2 ALA A 41 -4.419 -1.680 -7.327 1.00 54.22 H new ATOM 0 HB3 ALA A 41 -5.805 -1.167 -6.336 1.00 54.22 H new ATOM 596 N LEU A 42 -3.389 0.731 -3.885 1.00 42.54 N ATOM 597 CA LEU A 42 -3.645 1.762 -2.884 1.00 74.43 C ATOM 598 C LEU A 42 -4.021 3.083 -3.547 1.00 21.50 C ATOM 599 O LEU A 42 -3.152 3.871 -3.919 1.00 23.51 O ATOM 600 CB LEU A 42 -2.416 1.954 -1.995 1.00 42.44 C ATOM 601 CG LEU A 42 -1.957 0.727 -1.206 1.00 40.33 C ATOM 602 CD1 LEU A 42 -0.558 0.942 -0.650 1.00 61.51 C ATOM 603 CD2 LEU A 42 -2.938 0.419 -0.084 1.00 21.20 C ATOM 0 H LEU A 42 -2.444 0.742 -4.268 1.00 42.54 H new ATOM 0 HA LEU A 42 -4.483 1.436 -2.268 1.00 74.43 H new ATOM 0 HB2 LEU A 42 -1.589 2.288 -2.621 1.00 42.44 H new ATOM 0 HB3 LEU A 42 -2.626 2.757 -1.289 1.00 42.44 H new ATOM 0 HG LEU A 42 -1.928 -0.127 -1.882 1.00 40.33 H new ATOM 0 HD11 LEU A 42 -0.249 0.058 -0.092 1.00 61.51 H new ATOM 0 HD12 LEU A 42 0.137 1.114 -1.471 1.00 61.51 H new ATOM 0 HD13 LEU A 42 -0.559 1.808 0.012 1.00 61.51 H new ATOM 0 HD21 LEU A 42 -2.597 -0.457 0.468 1.00 21.20 H new ATOM 0 HD22 LEU A 42 -2.998 1.272 0.591 1.00 21.20 H new ATOM 0 HD23 LEU A 42 -3.923 0.221 -0.506 1.00 21.20 H new ATOM 615 N ALA A 43 -5.321 3.320 -3.689 1.00 35.23 N ATOM 616 CA ALA A 43 -5.812 4.548 -4.302 1.00 25.51 C ATOM 617 C ALA A 43 -5.901 5.675 -3.279 1.00 71.20 C ATOM 618 O ALA A 43 -6.022 5.429 -2.079 1.00 34.31 O ATOM 619 CB ALA A 43 -7.169 4.309 -4.947 1.00 62.34 C ATOM 0 H ALA A 43 -6.053 2.677 -3.388 1.00 35.23 H new ATOM 0 HA ALA A 43 -5.103 4.849 -5.073 1.00 25.51 H new ATOM 0 HB1 ALA A 43 -7.524 5.234 -5.401 1.00 62.34 H new ATOM 0 HB2 ALA A 43 -7.077 3.540 -5.714 1.00 62.34 H new ATOM 0 HB3 ALA A 43 -7.880 3.981 -4.188 1.00 62.34 H new ATOM 625 N VAL A 44 -5.840 6.911 -3.761 1.00 42.22 N ATOM 626 CA VAL A 44 -5.914 8.077 -2.888 1.00 53.13 C ATOM 627 C VAL A 44 -6.894 9.110 -3.433 1.00 72.33 C ATOM 628 O VAL A 44 -6.720 9.621 -4.540 1.00 12.43 O ATOM 629 CB VAL A 44 -4.534 8.737 -2.714 1.00 30.23 C ATOM 630 CG1 VAL A 44 -4.664 10.063 -1.981 1.00 40.55 C ATOM 631 CG2 VAL A 44 -3.587 7.803 -1.976 1.00 31.55 C ATOM 0 H VAL A 44 -5.739 7.132 -4.752 1.00 42.22 H new ATOM 0 HA VAL A 44 -6.264 7.724 -1.918 1.00 53.13 H new ATOM 0 HB VAL A 44 -4.118 8.935 -3.702 1.00 30.23 H new ATOM 0 HG11 VAL A 44 -3.678 10.514 -1.868 1.00 40.55 H new ATOM 0 HG12 VAL A 44 -5.306 10.733 -2.552 1.00 40.55 H new ATOM 0 HG13 VAL A 44 -5.101 9.893 -0.997 1.00 40.55 H new ATOM 0 HG21 VAL A 44 -2.616 8.285 -1.862 1.00 31.55 H new ATOM 0 HG22 VAL A 44 -3.996 7.573 -0.992 1.00 31.55 H new ATOM 0 HG23 VAL A 44 -3.469 6.881 -2.545 1.00 31.55 H new ATOM 641 N ARG A 45 -7.924 9.413 -2.649 1.00 4.54 N ATOM 642 CA ARG A 45 -8.931 10.386 -3.054 1.00 34.44 C ATOM 643 C ARG A 45 -8.280 11.626 -3.657 1.00 2.45 C ATOM 644 O ARG A 45 -7.224 12.080 -3.213 1.00 51.44 O ATOM 645 CB ARG A 45 -9.798 10.782 -1.856 1.00 44.14 C ATOM 646 CG ARG A 45 -10.355 9.595 -1.088 1.00 55.40 C ATOM 647 CD ARG A 45 -11.538 9.998 -0.222 1.00 2.25 C ATOM 648 NE ARG A 45 -12.808 9.859 -0.930 1.00 33.44 N ATOM 649 CZ ARG A 45 -13.982 10.196 -0.408 1.00 43.10 C ATOM 650 NH1 ARG A 45 -14.047 10.692 0.820 1.00 44.21 N ATOM 651 NH2 ARG A 45 -15.093 10.039 -1.114 1.00 55.04 N ATOM 0 H ARG A 45 -8.083 8.999 -1.730 1.00 4.54 H new ATOM 0 HA ARG A 45 -9.561 9.924 -3.814 1.00 34.44 H new ATOM 0 HB2 ARG A 45 -9.207 11.397 -1.178 1.00 44.14 H new ATOM 0 HB3 ARG A 45 -10.626 11.399 -2.206 1.00 44.14 H new ATOM 0 HG2 ARG A 45 -10.663 8.819 -1.789 1.00 55.40 H new ATOM 0 HG3 ARG A 45 -9.573 9.166 -0.461 1.00 55.40 H new ATOM 0 HD2 ARG A 45 -11.555 9.382 0.677 1.00 2.25 H new ATOM 0 HD3 ARG A 45 -11.415 11.032 0.102 1.00 2.25 H new ATOM 0 HE ARG A 45 -12.792 9.482 -1.878 1.00 33.44 H new ATOM 0 HH11 ARG A 45 -13.194 10.816 1.366 1.00 44.21 H new ATOM 0 HH12 ARG A 45 -14.950 10.950 1.219 1.00 44.21 H new ATOM 0 HH21 ARG A 45 -15.047 9.659 -2.059 1.00 55.04 H new ATOM 0 HH22 ARG A 45 -15.994 10.298 -0.712 1.00 55.04 H new ATOM 665 N PRO A 46 -8.920 12.188 -4.692 1.00 33.12 N ATOM 666 CA PRO A 46 -8.422 13.383 -5.378 1.00 42.31 C ATOM 667 C PRO A 46 -8.521 14.634 -4.511 1.00 32.04 C ATOM 668 O PRO A 46 -9.532 14.860 -3.845 1.00 74.51 O ATOM 669 CB PRO A 46 -9.340 13.503 -6.596 1.00 41.00 C ATOM 670 CG PRO A 46 -10.598 12.816 -6.191 1.00 35.21 C ATOM 671 CD PRO A 46 -10.183 11.700 -5.272 1.00 23.13 C ATOM 0 HA PRO A 46 -7.365 13.296 -5.631 1.00 42.31 H new ATOM 0 HB2 PRO A 46 -9.524 14.546 -6.852 1.00 41.00 H new ATOM 0 HB3 PRO A 46 -8.897 13.033 -7.474 1.00 41.00 H new ATOM 0 HG2 PRO A 46 -11.274 13.506 -5.686 1.00 35.21 H new ATOM 0 HG3 PRO A 46 -11.128 12.428 -7.061 1.00 35.21 H new ATOM 0 HD2 PRO A 46 -10.933 11.513 -4.503 1.00 23.13 H new ATOM 0 HD3 PRO A 46 -10.042 10.765 -5.814 1.00 23.13 H new ATOM 679 N ASP A 47 -7.468 15.443 -4.524 1.00 3.44 N ATOM 680 CA ASP A 47 -7.438 16.672 -3.739 1.00 75.30 C ATOM 681 C ASP A 47 -6.291 17.574 -4.185 1.00 50.02 C ATOM 682 O ASP A 47 -5.160 17.129 -4.382 1.00 73.14 O ATOM 683 CB ASP A 47 -7.300 16.350 -2.250 1.00 60.45 C ATOM 684 CG ASP A 47 -8.550 16.695 -1.465 1.00 41.30 C ATOM 685 OD1 ASP A 47 -9.170 17.737 -1.765 1.00 61.01 O ATOM 686 OD2 ASP A 47 -8.907 15.924 -0.550 1.00 14.54 O ATOM 0 H ASP A 47 -6.624 15.270 -5.069 1.00 3.44 H new ATOM 0 HA ASP A 47 -8.377 17.200 -3.902 1.00 75.30 H new ATOM 0 HB2 ASP A 47 -7.080 15.289 -2.130 1.00 60.45 H new ATOM 0 HB3 ASP A 47 -6.453 16.900 -1.839 1.00 60.45 H new ATOM 691 N PRO A 48 -6.588 18.871 -4.350 1.00 52.43 N ATOM 692 CA PRO A 48 -5.595 19.862 -4.776 1.00 11.14 C ATOM 693 C PRO A 48 -4.551 20.137 -3.699 1.00 34.05 C ATOM 694 O PRO A 48 -3.426 20.539 -3.997 1.00 32.43 O ATOM 695 CB PRO A 48 -6.434 21.115 -5.038 1.00 74.33 C ATOM 696 CG PRO A 48 -7.642 20.949 -4.182 1.00 22.15 C ATOM 697 CD PRO A 48 -7.916 19.471 -4.134 1.00 44.21 C ATOM 0 HA PRO A 48 -5.027 19.523 -5.643 1.00 11.14 H new ATOM 0 HB2 PRO A 48 -5.886 22.020 -4.777 1.00 74.33 H new ATOM 0 HB3 PRO A 48 -6.703 21.198 -6.091 1.00 74.33 H new ATOM 0 HG2 PRO A 48 -7.469 21.346 -3.182 1.00 22.15 H new ATOM 0 HG3 PRO A 48 -8.492 21.490 -4.598 1.00 22.15 H new ATOM 0 HD2 PRO A 48 -8.341 19.172 -3.176 1.00 44.21 H new ATOM 0 HD3 PRO A 48 -8.624 19.168 -4.905 1.00 44.21 H new ATOM 705 N LYS A 49 -4.931 19.918 -2.444 1.00 33.34 N ATOM 706 CA LYS A 49 -4.029 20.140 -1.321 1.00 43.32 C ATOM 707 C LYS A 49 -2.754 19.316 -1.475 1.00 74.14 C ATOM 708 O LYS A 49 -1.707 19.668 -0.936 1.00 2.42 O ATOM 709 CB LYS A 49 -4.723 19.784 -0.004 1.00 25.43 C ATOM 710 CG LYS A 49 -4.014 20.329 1.223 1.00 20.14 C ATOM 711 CD LYS A 49 -4.862 20.168 2.475 1.00 71.20 C ATOM 712 CE LYS A 49 -4.032 20.344 3.737 1.00 64.41 C ATOM 713 NZ LYS A 49 -3.584 19.037 4.293 1.00 32.32 N ATOM 0 H LYS A 49 -5.859 19.587 -2.180 1.00 33.34 H new ATOM 0 HA LYS A 49 -3.759 21.196 -1.308 1.00 43.32 H new ATOM 0 HB2 LYS A 49 -5.743 20.168 -0.025 1.00 25.43 H new ATOM 0 HB3 LYS A 49 -4.793 18.699 0.079 1.00 25.43 H new ATOM 0 HG2 LYS A 49 -3.065 19.810 1.356 1.00 20.14 H new ATOM 0 HG3 LYS A 49 -3.783 21.383 1.072 1.00 20.14 H new ATOM 0 HD2 LYS A 49 -5.670 20.899 2.465 1.00 71.20 H new ATOM 0 HD3 LYS A 49 -5.325 19.181 2.478 1.00 71.20 H new ATOM 0 HE2 LYS A 49 -3.162 20.962 3.516 1.00 64.41 H new ATOM 0 HE3 LYS A 49 -4.619 20.876 4.486 1.00 64.41 H new ATOM 0 HZ1 LYS A 49 -3.021 19.200 5.152 1.00 32.32 H new ATOM 0 HZ2 LYS A 49 -4.414 18.457 4.528 1.00 32.32 H new ATOM 0 HZ3 LYS A 49 -3.003 18.541 3.588 1.00 32.32 H new ATOM 727 N ALA A 50 -2.853 18.217 -2.217 1.00 50.51 N ATOM 728 CA ALA A 50 -1.708 17.345 -2.445 1.00 64.45 C ATOM 729 C ALA A 50 -1.210 17.458 -3.883 1.00 23.51 C ATOM 730 O ALA A 50 -0.082 17.076 -4.191 1.00 21.20 O ATOM 731 CB ALA A 50 -2.069 15.903 -2.121 1.00 51.53 C ATOM 0 H ALA A 50 -3.714 17.910 -2.670 1.00 50.51 H new ATOM 0 HA ALA A 50 -0.903 17.663 -1.783 1.00 64.45 H new ATOM 0 HB1 ALA A 50 -1.204 15.263 -2.296 1.00 51.53 H new ATOM 0 HB2 ALA A 50 -2.369 15.829 -1.076 1.00 51.53 H new ATOM 0 HB3 ALA A 50 -2.893 15.582 -2.759 1.00 51.53 H new ATOM 737 N GLY A 51 -2.060 17.984 -4.759 1.00 40.24 N ATOM 738 CA GLY A 51 -1.689 18.136 -6.153 1.00 42.33 C ATOM 739 C GLY A 51 -2.191 16.996 -7.016 1.00 24.23 C ATOM 740 O GLY A 51 -1.474 16.504 -7.887 1.00 53.34 O ATOM 0 H GLY A 51 -2.999 18.308 -4.528 1.00 40.24 H new ATOM 0 HA2 GLY A 51 -2.089 19.077 -6.531 1.00 42.33 H new ATOM 0 HA3 GLY A 51 -0.604 18.196 -6.232 1.00 42.33 H new ATOM 744 N PHE A 52 -3.426 16.571 -6.771 1.00 40.31 N ATOM 745 CA PHE A 52 -4.023 15.478 -7.530 1.00 21.32 C ATOM 746 C PHE A 52 -5.541 15.628 -7.598 1.00 3.41 C ATOM 747 O PHE A 52 -6.286 15.009 -6.839 1.00 20.01 O ATOM 748 CB PHE A 52 -3.660 14.132 -6.898 1.00 52.23 C ATOM 749 CG PHE A 52 -2.181 13.887 -6.819 1.00 53.30 C ATOM 750 CD1 PHE A 52 -1.485 13.407 -7.916 1.00 74.45 C ATOM 751 CD2 PHE A 52 -1.486 14.137 -5.646 1.00 71.22 C ATOM 752 CE1 PHE A 52 -0.124 13.179 -7.845 1.00 41.15 C ATOM 753 CE2 PHE A 52 -0.124 13.911 -5.570 1.00 74.34 C ATOM 754 CZ PHE A 52 0.558 13.433 -6.672 1.00 33.35 C ATOM 0 H PHE A 52 -4.033 16.967 -6.053 1.00 40.31 H new ATOM 0 HA PHE A 52 -3.626 15.514 -8.545 1.00 21.32 H new ATOM 0 HB2 PHE A 52 -4.082 14.085 -5.894 1.00 52.23 H new ATOM 0 HB3 PHE A 52 -4.122 13.332 -7.476 1.00 52.23 H new ATOM 0 HD1 PHE A 52 -2.012 13.209 -8.838 1.00 74.45 H new ATOM 0 HD2 PHE A 52 -2.014 14.512 -4.782 1.00 71.22 H new ATOM 0 HE1 PHE A 52 0.406 12.802 -8.707 1.00 41.15 H new ATOM 0 HE2 PHE A 52 0.406 14.108 -4.650 1.00 74.34 H new ATOM 0 HZ PHE A 52 1.622 13.258 -6.616 1.00 33.35 H new ATOM 764 N PRO A 53 -6.010 16.472 -8.529 1.00 4.42 N ATOM 765 CA PRO A 53 -7.441 16.724 -8.718 1.00 42.25 C ATOM 766 C PRO A 53 -8.170 15.520 -9.303 1.00 62.14 C ATOM 767 O PRO A 53 -9.395 15.520 -9.425 1.00 24.02 O ATOM 768 CB PRO A 53 -7.467 17.895 -9.705 1.00 2.33 C ATOM 769 CG PRO A 53 -6.179 17.794 -10.447 1.00 73.13 C ATOM 770 CD PRO A 53 -5.179 17.244 -9.468 1.00 53.30 C ATOM 0 HA PRO A 53 -7.946 16.931 -7.775 1.00 42.25 H new ATOM 0 HB2 PRO A 53 -8.320 17.824 -10.380 1.00 2.33 H new ATOM 0 HB3 PRO A 53 -7.550 18.849 -9.185 1.00 2.33 H new ATOM 0 HG2 PRO A 53 -6.278 17.140 -11.313 1.00 73.13 H new ATOM 0 HG3 PRO A 53 -5.865 18.769 -10.819 1.00 73.13 H new ATOM 0 HD2 PRO A 53 -4.439 16.614 -9.961 1.00 53.30 H new ATOM 0 HD3 PRO A 53 -4.633 18.040 -8.961 1.00 53.30 H new ATOM 778 N LYS A 54 -7.409 14.491 -9.664 1.00 2.41 N ATOM 779 CA LYS A 54 -7.981 13.279 -10.234 1.00 63.43 C ATOM 780 C LYS A 54 -7.775 12.089 -9.302 1.00 13.41 C ATOM 781 O LYS A 54 -8.640 11.221 -9.187 1.00 32.04 O ATOM 782 CB LYS A 54 -7.352 12.985 -11.599 1.00 22.34 C ATOM 783 CG LYS A 54 -5.842 12.816 -11.548 1.00 34.43 C ATOM 784 CD LYS A 54 -5.173 13.415 -12.773 1.00 30.10 C ATOM 785 CE LYS A 54 -3.799 13.974 -12.440 1.00 22.24 C ATOM 786 NZ LYS A 54 -3.406 15.072 -13.366 1.00 72.21 N ATOM 0 H LYS A 54 -6.393 14.474 -9.571 1.00 2.41 H new ATOM 0 HA LYS A 54 -9.052 13.439 -10.361 1.00 63.43 H new ATOM 0 HB2 LYS A 54 -7.797 12.078 -12.007 1.00 22.34 H new ATOM 0 HB3 LYS A 54 -7.596 13.796 -12.285 1.00 22.34 H new ATOM 0 HG2 LYS A 54 -5.452 13.293 -10.649 1.00 34.43 H new ATOM 0 HG3 LYS A 54 -5.596 11.756 -11.479 1.00 34.43 H new ATOM 0 HD2 LYS A 54 -5.079 12.653 -13.547 1.00 30.10 H new ATOM 0 HD3 LYS A 54 -5.800 14.208 -13.181 1.00 30.10 H new ATOM 0 HE2 LYS A 54 -3.797 14.345 -11.415 1.00 22.24 H new ATOM 0 HE3 LYS A 54 -3.060 13.174 -12.491 1.00 22.24 H new ATOM 0 HZ1 LYS A 54 -2.463 15.426 -13.105 1.00 72.21 H new ATOM 0 HZ2 LYS A 54 -3.383 14.712 -14.341 1.00 72.21 H new ATOM 0 HZ3 LYS A 54 -4.097 15.846 -13.299 1.00 72.21 H new ATOM 800 N GLY A 55 -6.624 12.056 -8.637 1.00 33.04 N ATOM 801 CA GLY A 55 -6.328 10.969 -7.721 1.00 41.52 C ATOM 802 C GLY A 55 -5.273 10.026 -8.264 1.00 3.52 C ATOM 803 O GLY A 55 -5.163 9.837 -9.475 1.00 65.50 O ATOM 0 H GLY A 55 -5.892 12.762 -8.716 1.00 33.04 H new ATOM 0 HA2 GLY A 55 -5.989 11.381 -6.771 1.00 41.52 H new ATOM 0 HA3 GLY A 55 -7.241 10.410 -7.518 1.00 41.52 H new ATOM 807 N VAL A 56 -4.491 9.435 -7.366 1.00 10.23 N ATOM 808 CA VAL A 56 -3.439 8.507 -7.760 1.00 62.02 C ATOM 809 C VAL A 56 -3.733 7.097 -7.263 1.00 73.12 C ATOM 810 O VAL A 56 -4.372 6.914 -6.227 1.00 25.04 O ATOM 811 CB VAL A 56 -2.066 8.954 -7.222 1.00 33.42 C ATOM 812 CG1 VAL A 56 -1.933 8.607 -5.747 1.00 64.43 C ATOM 813 CG2 VAL A 56 -0.945 8.318 -8.030 1.00 61.23 C ATOM 0 H VAL A 56 -4.567 9.583 -6.360 1.00 10.23 H new ATOM 0 HA VAL A 56 -3.411 8.505 -8.850 1.00 62.02 H new ATOM 0 HB VAL A 56 -1.989 10.036 -7.325 1.00 33.42 H new ATOM 0 HG11 VAL A 56 -0.957 8.930 -5.384 1.00 64.43 H new ATOM 0 HG12 VAL A 56 -2.716 9.113 -5.182 1.00 64.43 H new ATOM 0 HG13 VAL A 56 -2.030 7.529 -5.617 1.00 64.43 H new ATOM 0 HG21 VAL A 56 0.018 8.645 -7.636 1.00 61.23 H new ATOM 0 HG22 VAL A 56 -1.016 7.233 -7.960 1.00 61.23 H new ATOM 0 HG23 VAL A 56 -1.032 8.621 -9.074 1.00 61.23 H new ATOM 823 N ALA A 57 -3.264 6.102 -8.009 1.00 12.01 N ATOM 824 CA ALA A 57 -3.476 4.707 -7.642 1.00 5.43 C ATOM 825 C ALA A 57 -2.196 3.895 -7.812 1.00 71.21 C ATOM 826 O ALA A 57 -1.715 3.702 -8.928 1.00 60.34 O ATOM 827 CB ALA A 57 -4.599 4.107 -8.475 1.00 25.05 C ATOM 0 H ALA A 57 -2.735 6.236 -8.871 1.00 12.01 H new ATOM 0 HA ALA A 57 -3.761 4.672 -6.590 1.00 5.43 H new ATOM 0 HB1 ALA A 57 -4.746 3.065 -8.190 1.00 25.05 H new ATOM 0 HB2 ALA A 57 -5.519 4.665 -8.301 1.00 25.05 H new ATOM 0 HB3 ALA A 57 -4.337 4.161 -9.532 1.00 25.05 H new ATOM 833 N VAL A 58 -1.648 3.422 -6.696 1.00 51.24 N ATOM 834 CA VAL A 58 -0.424 2.630 -6.723 1.00 15.32 C ATOM 835 C VAL A 58 -0.733 1.139 -6.638 1.00 43.32 C ATOM 836 O VAL A 58 -1.330 0.671 -5.670 1.00 10.13 O ATOM 837 CB VAL A 58 0.517 3.014 -5.566 1.00 4.10 C ATOM 838 CG1 VAL A 58 1.591 1.954 -5.376 1.00 71.14 C ATOM 839 CG2 VAL A 58 1.142 4.378 -5.819 1.00 1.11 C ATOM 0 H VAL A 58 -2.032 3.574 -5.763 1.00 51.24 H new ATOM 0 HA VAL A 58 0.071 2.843 -7.671 1.00 15.32 H new ATOM 0 HB VAL A 58 -0.069 3.072 -4.648 1.00 4.10 H new ATOM 0 HG11 VAL A 58 2.246 2.243 -4.554 1.00 71.14 H new ATOM 0 HG12 VAL A 58 1.122 0.997 -5.147 1.00 71.14 H new ATOM 0 HG13 VAL A 58 2.176 1.861 -6.291 1.00 71.14 H new ATOM 0 HG21 VAL A 58 1.804 4.634 -4.992 1.00 1.11 H new ATOM 0 HG22 VAL A 58 1.714 4.350 -6.746 1.00 1.11 H new ATOM 0 HG23 VAL A 58 0.356 5.129 -5.900 1.00 1.11 H new ATOM 849 N VAL A 59 -0.319 0.397 -7.661 1.00 33.31 N ATOM 850 CA VAL A 59 -0.548 -1.043 -7.703 1.00 54.33 C ATOM 851 C VAL A 59 0.549 -1.796 -6.961 1.00 71.02 C ATOM 852 O VAL A 59 1.646 -1.275 -6.755 1.00 54.33 O ATOM 853 CB VAL A 59 -0.620 -1.557 -9.153 1.00 73.50 C ATOM 854 CG1 VAL A 59 -1.023 -3.024 -9.179 1.00 12.42 C ATOM 855 CG2 VAL A 59 -1.589 -0.715 -9.969 1.00 53.45 C ATOM 0 H VAL A 59 0.176 0.769 -8.471 1.00 33.31 H new ATOM 0 HA VAL A 59 -1.504 -1.226 -7.213 1.00 54.33 H new ATOM 0 HB VAL A 59 0.369 -1.468 -9.602 1.00 73.50 H new ATOM 0 HG11 VAL A 59 -1.069 -3.370 -10.211 1.00 12.42 H new ATOM 0 HG12 VAL A 59 -0.288 -3.613 -8.631 1.00 12.42 H new ATOM 0 HG13 VAL A 59 -2.002 -3.141 -8.713 1.00 12.42 H new ATOM 0 HG21 VAL A 59 -1.627 -1.092 -10.991 1.00 53.45 H new ATOM 0 HG22 VAL A 59 -2.583 -0.770 -9.524 1.00 53.45 H new ATOM 0 HG23 VAL A 59 -1.252 0.322 -9.977 1.00 53.45 H new ATOM 865 N LEU A 60 0.248 -3.027 -6.562 1.00 21.20 N ATOM 866 CA LEU A 60 1.210 -3.854 -5.842 1.00 75.44 C ATOM 867 C LEU A 60 0.913 -5.337 -6.047 1.00 71.10 C ATOM 868 O LEU A 60 0.337 -5.991 -5.176 1.00 45.20 O ATOM 869 CB LEU A 60 1.186 -3.520 -4.350 1.00 52.44 C ATOM 870 CG LEU A 60 1.611 -2.100 -3.974 1.00 44.31 C ATOM 871 CD1 LEU A 60 1.256 -1.801 -2.527 1.00 23.12 C ATOM 872 CD2 LEU A 60 3.103 -1.911 -4.210 1.00 41.31 C ATOM 0 H LEU A 60 -0.654 -3.474 -6.725 1.00 21.20 H new ATOM 0 HA LEU A 60 2.203 -3.641 -6.239 1.00 75.44 H new ATOM 0 HB2 LEU A 60 0.175 -3.686 -3.977 1.00 52.44 H new ATOM 0 HB3 LEU A 60 1.837 -4.223 -3.830 1.00 52.44 H new ATOM 0 HG LEU A 60 1.070 -1.399 -4.610 1.00 44.31 H new ATOM 0 HD11 LEU A 60 1.566 -0.786 -2.278 1.00 23.12 H new ATOM 0 HD12 LEU A 60 0.179 -1.895 -2.390 1.00 23.12 H new ATOM 0 HD13 LEU A 60 1.768 -2.507 -1.873 1.00 23.12 H new ATOM 0 HD21 LEU A 60 3.389 -0.895 -3.937 1.00 41.31 H new ATOM 0 HD22 LEU A 60 3.661 -2.621 -3.599 1.00 41.31 H new ATOM 0 HD23 LEU A 60 3.329 -2.081 -5.263 1.00 41.31 H new ATOM 884 N ASP A 61 1.311 -5.861 -7.200 1.00 52.33 N ATOM 885 CA ASP A 61 1.090 -7.267 -7.518 1.00 71.20 C ATOM 886 C ASP A 61 1.959 -8.164 -6.643 1.00 60.42 C ATOM 887 O ASP A 61 3.126 -8.410 -6.953 1.00 41.14 O ATOM 888 CB ASP A 61 1.387 -7.531 -8.995 1.00 74.13 C ATOM 889 CG ASP A 61 1.200 -8.988 -9.371 1.00 64.04 C ATOM 890 OD1 ASP A 61 1.691 -9.860 -8.626 1.00 71.31 O ATOM 891 OD2 ASP A 61 0.564 -9.254 -10.414 1.00 23.45 O ATOM 0 H ASP A 61 1.789 -5.334 -7.931 1.00 52.33 H new ATOM 0 HA ASP A 61 0.044 -7.499 -7.319 1.00 71.20 H new ATOM 0 HB2 ASP A 61 0.733 -6.913 -9.610 1.00 74.13 H new ATOM 0 HB3 ASP A 61 2.411 -7.230 -9.216 1.00 74.13 H new ATOM 896 N LEU A 62 1.385 -8.651 -5.549 1.00 74.13 N ATOM 897 CA LEU A 62 2.108 -9.522 -4.628 1.00 1.41 C ATOM 898 C LEU A 62 1.628 -10.964 -4.751 1.00 54.25 C ATOM 899 O LEU A 62 0.426 -11.227 -4.791 1.00 15.23 O ATOM 900 CB LEU A 62 1.929 -9.033 -3.189 1.00 62.43 C ATOM 901 CG LEU A 62 1.797 -7.522 -3.005 1.00 1.44 C ATOM 902 CD1 LEU A 62 1.824 -7.160 -1.527 1.00 10.13 C ATOM 903 CD2 LEU A 62 2.903 -6.794 -3.754 1.00 2.32 C ATOM 0 H LEU A 62 0.421 -8.458 -5.277 1.00 74.13 H new ATOM 0 HA LEU A 62 3.166 -9.489 -4.889 1.00 1.41 H new ATOM 0 HB2 LEU A 62 1.041 -9.508 -2.773 1.00 62.43 H new ATOM 0 HB3 LEU A 62 2.780 -9.377 -2.601 1.00 62.43 H new ATOM 0 HG LEU A 62 0.839 -7.208 -3.418 1.00 1.44 H new ATOM 0 HD11 LEU A 62 1.729 -6.080 -1.415 1.00 10.13 H new ATOM 0 HD12 LEU A 62 0.996 -7.652 -1.017 1.00 10.13 H new ATOM 0 HD13 LEU A 62 2.767 -7.488 -1.089 1.00 10.13 H new ATOM 0 HD21 LEU A 62 2.793 -5.719 -3.611 1.00 2.32 H new ATOM 0 HD22 LEU A 62 3.873 -7.113 -3.372 1.00 2.32 H new ATOM 0 HD23 LEU A 62 2.837 -7.028 -4.817 1.00 2.32 H new ATOM 915 N TRP A 63 2.574 -11.893 -4.809 1.00 21.22 N ATOM 916 CA TRP A 63 2.247 -13.310 -4.925 1.00 11.14 C ATOM 917 C TRP A 63 2.429 -14.023 -3.589 1.00 14.22 C ATOM 918 O TRP A 63 2.426 -13.390 -2.533 1.00 24.43 O ATOM 919 CB TRP A 63 3.122 -13.971 -5.992 1.00 13.53 C ATOM 920 CG TRP A 63 2.349 -14.832 -6.944 1.00 22.53 C ATOM 921 CD1 TRP A 63 2.680 -16.089 -7.367 1.00 12.35 C ATOM 922 CD2 TRP A 63 1.116 -14.501 -7.592 1.00 63.23 C ATOM 923 NE1 TRP A 63 1.728 -16.558 -8.238 1.00 71.04 N ATOM 924 CE2 TRP A 63 0.758 -15.603 -8.393 1.00 15.01 C ATOM 925 CE3 TRP A 63 0.280 -13.382 -7.574 1.00 1.34 C ATOM 926 CZ2 TRP A 63 -0.400 -15.615 -9.167 1.00 62.33 C ATOM 927 CZ3 TRP A 63 -0.868 -13.395 -8.342 1.00 60.21 C ATOM 928 CH2 TRP A 63 -1.200 -14.506 -9.129 1.00 60.21 C ATOM 0 H TRP A 63 3.573 -11.692 -4.778 1.00 21.22 H new ATOM 0 HA TRP A 63 1.201 -13.392 -5.220 1.00 11.14 H new ATOM 0 HB2 TRP A 63 3.643 -13.197 -6.555 1.00 13.53 H new ATOM 0 HB3 TRP A 63 3.884 -14.577 -5.502 1.00 13.53 H new ATOM 0 HD1 TRP A 63 3.561 -16.633 -7.061 1.00 12.35 H new ATOM 0 HE1 TRP A 63 1.741 -17.470 -8.695 1.00 71.04 H new ATOM 0 HE3 TRP A 63 0.527 -12.521 -6.970 1.00 1.34 H new ATOM 0 HZ2 TRP A 63 -0.657 -16.469 -9.775 1.00 62.33 H new ATOM 0 HZ3 TRP A 63 -1.521 -12.535 -8.336 1.00 60.21 H new ATOM 0 HH2 TRP A 63 -2.106 -14.486 -9.717 1.00 60.21 H new ATOM 939 N HIS A 64 2.586 -15.341 -3.643 1.00 45.22 N ATOM 940 CA HIS A 64 2.770 -16.139 -2.436 1.00 2.35 C ATOM 941 C HIS A 64 4.038 -15.722 -1.697 1.00 3.33 C ATOM 942 O HIS A 64 5.060 -16.405 -1.761 1.00 35.32 O ATOM 943 CB HIS A 64 2.836 -17.625 -2.786 1.00 73.35 C ATOM 944 CG HIS A 64 1.955 -18.009 -3.936 1.00 33.32 C ATOM 945 ND1 HIS A 64 0.842 -17.421 -4.433 1.00 45.55 N flip ATOM 946 CD2 HIS A 64 2.179 -19.124 -4.716 1.00 63.04 C flip ATOM 947 CE1 HIS A 64 0.419 -18.181 -5.496 1.00 34.15 C flip ATOM 948 NE2 HIS A 64 1.245 -19.203 -5.646 1.00 23.54 N flip ATOM 0 H HIS A 64 2.590 -15.879 -4.509 1.00 45.22 H new ATOM 0 HA HIS A 64 1.915 -15.965 -1.782 1.00 2.35 H new ATOM 0 HB2 HIS A 64 3.866 -17.888 -3.025 1.00 73.35 H new ATOM 0 HB3 HIS A 64 2.552 -18.209 -1.911 1.00 73.35 H new ATOM 0 HD2 HIS A 64 2.992 -19.823 -4.586 1.00 63.04 H new ATOM 0 HE1 HIS A 64 -0.446 -17.977 -6.109 1.00 34.15 H new ATOM 0 HE2 HIS A 64 1.173 -19.929 -6.359 1.00 23.54 H new ATOM 957 N GLY A 65 3.965 -14.595 -0.996 1.00 33.14 N ATOM 958 CA GLY A 65 5.114 -14.106 -0.255 1.00 42.44 C ATOM 959 C GLY A 65 6.050 -13.281 -1.116 1.00 13.12 C ATOM 960 O GLY A 65 6.876 -12.529 -0.601 1.00 2.32 O ATOM 0 H GLY A 65 3.131 -14.012 -0.928 1.00 33.14 H new ATOM 0 HA2 GLY A 65 4.771 -13.502 0.585 1.00 42.44 H new ATOM 0 HA3 GLY A 65 5.660 -14.952 0.163 1.00 42.44 H new ATOM 964 N ALA A 66 5.921 -13.422 -2.432 1.00 12.05 N ATOM 965 CA ALA A 66 6.761 -12.683 -3.365 1.00 21.51 C ATOM 966 C ALA A 66 6.052 -11.432 -3.871 1.00 15.13 C ATOM 967 O ALA A 66 4.867 -11.227 -3.604 1.00 13.04 O ATOM 968 CB ALA A 66 7.162 -13.573 -4.533 1.00 31.22 C ATOM 0 H ALA A 66 5.242 -14.041 -2.875 1.00 12.05 H new ATOM 0 HA ALA A 66 7.660 -12.370 -2.835 1.00 21.51 H new ATOM 0 HB1 ALA A 66 7.789 -13.008 -5.222 1.00 31.22 H new ATOM 0 HB2 ALA A 66 7.717 -14.434 -4.160 1.00 31.22 H new ATOM 0 HB3 ALA A 66 6.268 -13.915 -5.054 1.00 31.22 H new ATOM 974 N CYS A 67 6.783 -10.597 -4.601 1.00 63.12 N ATOM 975 CA CYS A 67 6.225 -9.365 -5.143 1.00 53.42 C ATOM 976 C CYS A 67 6.492 -9.259 -6.642 1.00 3.11 C ATOM 977 O CYS A 67 7.545 -8.781 -7.064 1.00 12.32 O ATOM 978 CB CYS A 67 6.816 -8.152 -4.422 1.00 43.44 C ATOM 979 SG CYS A 67 5.932 -6.592 -4.745 1.00 5.34 S ATOM 0 H CYS A 67 7.765 -10.752 -4.831 1.00 63.12 H new ATOM 0 HA CYS A 67 5.147 -9.384 -4.984 1.00 53.42 H new ATOM 0 HB2 CYS A 67 6.813 -8.343 -3.349 1.00 43.44 H new ATOM 0 HB3 CYS A 67 7.857 -8.036 -4.722 1.00 43.44 H new ATOM 984 N ARG A 68 5.531 -9.709 -7.443 1.00 13.15 N ATOM 985 CA ARG A 68 5.662 -9.667 -8.893 1.00 51.40 C ATOM 986 C ARG A 68 6.204 -8.316 -9.351 1.00 35.20 C ATOM 987 O ARG A 68 7.330 -8.220 -9.837 1.00 53.33 O ATOM 988 CB ARG A 68 4.310 -9.937 -9.557 1.00 64.52 C ATOM 989 CG ARG A 68 4.395 -10.100 -11.066 1.00 51.13 C ATOM 990 CD ARG A 68 4.563 -11.559 -11.461 1.00 64.14 C ATOM 991 NE ARG A 68 5.956 -11.890 -11.750 1.00 73.23 N ATOM 992 CZ ARG A 68 6.670 -11.298 -12.701 1.00 62.43 C ATOM 993 NH1 ARG A 68 6.126 -10.350 -13.450 1.00 31.31 N ATOM 994 NH2 ARG A 68 7.932 -11.656 -12.904 1.00 3.54 N ATOM 0 H ARG A 68 4.653 -10.107 -7.111 1.00 13.15 H new ATOM 0 HA ARG A 68 6.367 -10.443 -9.191 1.00 51.40 H new ATOM 0 HB2 ARG A 68 3.877 -10.840 -9.126 1.00 64.52 H new ATOM 0 HB3 ARG A 68 3.631 -9.116 -9.326 1.00 64.52 H new ATOM 0 HG2 ARG A 68 3.493 -9.699 -11.528 1.00 51.13 H new ATOM 0 HG3 ARG A 68 5.234 -9.519 -11.449 1.00 51.13 H new ATOM 0 HD2 ARG A 68 4.198 -12.197 -10.656 1.00 64.14 H new ATOM 0 HD3 ARG A 68 3.951 -11.770 -12.338 1.00 64.14 H new ATOM 0 HE ARG A 68 6.405 -12.615 -11.191 1.00 73.23 H new ATOM 0 HH11 ARG A 68 5.156 -10.073 -13.297 1.00 31.31 H new ATOM 0 HH12 ARG A 68 6.677 -9.897 -14.179 1.00 31.31 H new ATOM 0 HH21 ARG A 68 8.354 -12.386 -12.330 1.00 3.54 H new ATOM 0 HH22 ARG A 68 8.480 -11.201 -13.634 1.00 3.54 H new ATOM 1008 N GLY A 69 5.393 -7.274 -9.192 1.00 54.51 N ATOM 1009 CA GLY A 69 5.808 -5.942 -9.595 1.00 32.54 C ATOM 1010 C GLY A 69 4.860 -4.867 -9.104 1.00 20.10 C ATOM 1011 O GLY A 69 4.027 -5.114 -8.231 1.00 61.43 O ATOM 0 H GLY A 69 4.456 -7.328 -8.792 1.00 54.51 H new ATOM 0 HA2 GLY A 69 6.808 -5.744 -9.209 1.00 32.54 H new ATOM 0 HA3 GLY A 69 5.871 -5.898 -10.682 1.00 32.54 H new ATOM 1015 N ALA A 70 4.986 -3.669 -9.664 1.00 3.32 N ATOM 1016 CA ALA A 70 4.133 -2.551 -9.279 1.00 23.55 C ATOM 1017 C ALA A 70 4.180 -1.438 -10.321 1.00 21.30 C ATOM 1018 O ALA A 70 5.109 -1.367 -11.125 1.00 42.41 O ATOM 1019 CB ALA A 70 4.546 -2.018 -7.915 1.00 5.31 C ATOM 0 H ALA A 70 5.671 -3.447 -10.386 1.00 3.32 H new ATOM 0 HA ALA A 70 3.107 -2.913 -9.220 1.00 23.55 H new ATOM 0 HB1 ALA A 70 3.901 -1.184 -7.640 1.00 5.31 H new ATOM 0 HB2 ALA A 70 4.452 -2.810 -7.171 1.00 5.31 H new ATOM 0 HB3 ALA A 70 5.581 -1.679 -7.955 1.00 5.31 H new ATOM 1025 N LYS A 71 3.172 -0.573 -10.302 1.00 3.21 N ATOM 1026 CA LYS A 71 3.099 0.537 -11.244 1.00 42.43 C ATOM 1027 C LYS A 71 2.166 1.628 -10.729 1.00 11.40 C ATOM 1028 O LYS A 71 1.182 1.345 -10.047 1.00 0.01 O ATOM 1029 CB LYS A 71 2.617 0.042 -12.610 1.00 40.12 C ATOM 1030 CG LYS A 71 1.475 -0.955 -12.527 1.00 22.40 C ATOM 1031 CD LYS A 71 1.086 -1.474 -13.901 1.00 24.13 C ATOM 1032 CE LYS A 71 0.026 -2.560 -13.808 1.00 74.41 C ATOM 1033 NZ LYS A 71 -0.282 -3.151 -15.139 1.00 71.14 N ATOM 0 H LYS A 71 2.394 -0.619 -9.644 1.00 3.21 H new ATOM 0 HA LYS A 71 4.099 0.958 -11.348 1.00 42.43 H new ATOM 0 HB2 LYS A 71 2.299 0.898 -13.206 1.00 40.12 H new ATOM 0 HB3 LYS A 71 3.453 -0.419 -13.136 1.00 40.12 H new ATOM 0 HG2 LYS A 71 1.766 -1.791 -11.891 1.00 22.40 H new ATOM 0 HG3 LYS A 71 0.612 -0.483 -12.058 1.00 22.40 H new ATOM 0 HD2 LYS A 71 0.712 -0.651 -14.509 1.00 24.13 H new ATOM 0 HD3 LYS A 71 1.968 -1.868 -14.405 1.00 24.13 H new ATOM 0 HE2 LYS A 71 0.368 -3.344 -13.133 1.00 74.41 H new ATOM 0 HE3 LYS A 71 -0.884 -2.143 -13.377 1.00 74.41 H new ATOM 0 HZ1 LYS A 71 -1.009 -3.887 -15.032 1.00 71.14 H new ATOM 0 HZ2 LYS A 71 -0.633 -2.408 -15.776 1.00 71.14 H new ATOM 0 HZ3 LYS A 71 0.580 -3.572 -15.540 1.00 71.14 H new ATOM 1047 N ALA A 72 2.481 2.876 -11.060 1.00 23.20 N ATOM 1048 CA ALA A 72 1.669 4.008 -10.634 1.00 2.21 C ATOM 1049 C ALA A 72 0.688 4.423 -11.725 1.00 4.21 C ATOM 1050 O ALA A 72 1.080 4.659 -12.868 1.00 60.52 O ATOM 1051 CB ALA A 72 2.560 5.180 -10.249 1.00 11.55 C ATOM 0 H ALA A 72 3.294 3.128 -11.622 1.00 23.20 H new ATOM 0 HA ALA A 72 1.092 3.701 -9.762 1.00 2.21 H new ATOM 0 HB1 ALA A 72 1.941 6.019 -9.933 1.00 11.55 H new ATOM 0 HB2 ALA A 72 3.216 4.885 -9.430 1.00 11.55 H new ATOM 0 HB3 ALA A 72 3.162 5.477 -11.108 1.00 11.55 H new ATOM 1057 N VAL A 73 -0.588 4.509 -11.366 1.00 1.45 N ATOM 1058 CA VAL A 73 -1.625 4.896 -12.314 1.00 71.23 C ATOM 1059 C VAL A 73 -2.638 5.836 -11.670 1.00 21.54 C ATOM 1060 O VAL A 73 -3.186 5.538 -10.609 1.00 12.10 O ATOM 1061 CB VAL A 73 -2.365 3.664 -12.870 1.00 34.30 C ATOM 1062 CG1 VAL A 73 -2.587 2.635 -11.772 1.00 23.43 C ATOM 1063 CG2 VAL A 73 -3.687 4.077 -13.500 1.00 23.21 C ATOM 0 H VAL A 73 -0.929 4.316 -10.424 1.00 1.45 H new ATOM 0 HA VAL A 73 -1.126 5.413 -13.134 1.00 71.23 H new ATOM 0 HB VAL A 73 -1.747 3.208 -13.643 1.00 34.30 H new ATOM 0 HG11 VAL A 73 -3.111 1.772 -12.183 1.00 23.43 H new ATOM 0 HG12 VAL A 73 -1.625 2.318 -11.370 1.00 23.43 H new ATOM 0 HG13 VAL A 73 -3.185 3.077 -10.975 1.00 23.43 H new ATOM 0 HG21 VAL A 73 -4.197 3.195 -13.888 1.00 23.21 H new ATOM 0 HG22 VAL A 73 -4.314 4.557 -12.749 1.00 23.21 H new ATOM 0 HG23 VAL A 73 -3.499 4.775 -14.316 1.00 23.21 H new ATOM 1073 N GLU A 74 -2.881 6.970 -12.318 1.00 50.45 N ATOM 1074 CA GLU A 74 -3.828 7.954 -11.806 1.00 72.04 C ATOM 1075 C GLU A 74 -5.189 7.799 -12.479 1.00 11.23 C ATOM 1076 O GLU A 74 -5.280 7.670 -13.699 1.00 2.32 O ATOM 1077 CB GLU A 74 -3.295 9.371 -12.029 1.00 62.41 C ATOM 1078 CG GLU A 74 -1.908 9.598 -11.451 1.00 33.14 C ATOM 1079 CD GLU A 74 -1.177 10.745 -12.120 1.00 55.11 C ATOM 1080 OE1 GLU A 74 -1.371 11.902 -11.691 1.00 43.15 O ATOM 1081 OE2 GLU A 74 -0.413 10.486 -13.073 1.00 24.44 O ATOM 0 H GLU A 74 -2.436 7.231 -13.198 1.00 50.45 H new ATOM 0 HA GLU A 74 -3.949 7.783 -10.736 1.00 72.04 H new ATOM 0 HB2 GLU A 74 -3.272 9.577 -13.099 1.00 62.41 H new ATOM 0 HB3 GLU A 74 -3.987 10.085 -11.582 1.00 62.41 H new ATOM 0 HG2 GLU A 74 -1.992 9.800 -10.383 1.00 33.14 H new ATOM 0 HG3 GLU A 74 -1.320 8.686 -11.558 1.00 33.14 H new ATOM 1120 N GLU A 78 -6.260 -1.358 -12.059 1.00 30.35 N ATOM 1121 CA GLU A 78 -6.793 -2.711 -12.162 1.00 23.12 C ATOM 1122 C GLU A 78 -6.097 -3.647 -11.178 1.00 64.31 C ATOM 1123 O GLU A 78 -4.877 -3.807 -11.213 1.00 43.04 O ATOM 1124 CB GLU A 78 -6.629 -3.240 -13.588 1.00 63.31 C ATOM 1125 CG GLU A 78 -7.947 -3.522 -14.288 1.00 61.12 C ATOM 1126 CD GLU A 78 -7.819 -3.517 -15.800 1.00 24.34 C ATOM 1127 OE1 GLU A 78 -6.809 -4.045 -16.311 1.00 0.33 O ATOM 1128 OE2 GLU A 78 -8.728 -2.986 -16.470 1.00 55.11 O ATOM 0 HA GLU A 78 -7.854 -2.676 -11.914 1.00 23.12 H new ATOM 0 HB2 GLU A 78 -6.065 -2.514 -14.173 1.00 63.31 H new ATOM 0 HB3 GLU A 78 -6.038 -4.156 -13.561 1.00 63.31 H new ATOM 0 HG2 GLU A 78 -8.327 -4.491 -13.963 1.00 61.12 H new ATOM 0 HG3 GLU A 78 -8.681 -2.774 -13.987 1.00 61.12 H new ATOM 1135 N ALA A 79 -6.881 -4.262 -10.299 1.00 40.34 N ATOM 1136 CA ALA A 79 -6.342 -5.182 -9.306 1.00 74.04 C ATOM 1137 C ALA A 79 -7.457 -5.965 -8.620 1.00 2.11 C ATOM 1138 O ALA A 79 -8.608 -5.529 -8.591 1.00 71.25 O ATOM 1139 CB ALA A 79 -5.517 -4.424 -8.276 1.00 64.35 C ATOM 0 H ALA A 79 -7.893 -4.139 -10.255 1.00 40.34 H new ATOM 0 HA ALA A 79 -5.696 -5.894 -9.820 1.00 74.04 H new ATOM 0 HB1 ALA A 79 -5.121 -5.124 -7.541 1.00 64.35 H new ATOM 0 HB2 ALA A 79 -4.692 -3.915 -8.774 1.00 64.35 H new ATOM 0 HB3 ALA A 79 -6.147 -3.689 -7.775 1.00 64.35 H new ATOM 1145 N ASP A 80 -7.108 -7.123 -8.070 1.00 74.12 N ATOM 1146 CA ASP A 80 -8.080 -7.966 -7.384 1.00 25.52 C ATOM 1147 C ASP A 80 -8.519 -7.330 -6.068 1.00 71.20 C ATOM 1148 O ASP A 80 -9.617 -7.591 -5.576 1.00 70.53 O ATOM 1149 CB ASP A 80 -7.489 -9.353 -7.122 1.00 53.40 C ATOM 1150 CG ASP A 80 -8.530 -10.451 -7.207 1.00 62.45 C ATOM 1151 OD1 ASP A 80 -9.720 -10.161 -6.966 1.00 44.42 O ATOM 1152 OD2 ASP A 80 -8.155 -11.602 -7.516 1.00 63.32 O ATOM 0 H ASP A 80 -6.160 -7.499 -8.086 1.00 74.12 H new ATOM 0 HA ASP A 80 -8.954 -8.067 -8.027 1.00 25.52 H new ATOM 0 HB2 ASP A 80 -6.697 -9.550 -7.845 1.00 53.40 H new ATOM 0 HB3 ASP A 80 -7.029 -9.368 -6.134 1.00 53.40 H new ATOM 1157 N PHE A 81 -7.652 -6.497 -5.502 1.00 14.41 N ATOM 1158 CA PHE A 81 -7.950 -5.825 -4.242 1.00 63.01 C ATOM 1159 C PHE A 81 -7.575 -4.347 -4.312 1.00 1.30 C ATOM 1160 O PHE A 81 -6.401 -3.988 -4.225 1.00 44.44 O ATOM 1161 CB PHE A 81 -7.200 -6.498 -3.092 1.00 25.11 C ATOM 1162 CG PHE A 81 -7.649 -7.907 -2.827 1.00 33.10 C ATOM 1163 CD1 PHE A 81 -8.768 -8.156 -2.050 1.00 30.43 C ATOM 1164 CD2 PHE A 81 -6.951 -8.982 -3.355 1.00 13.45 C ATOM 1165 CE1 PHE A 81 -9.184 -9.451 -1.803 1.00 74.15 C ATOM 1166 CE2 PHE A 81 -7.363 -10.278 -3.113 1.00 72.41 C ATOM 1167 CZ PHE A 81 -8.480 -10.513 -2.335 1.00 62.51 C ATOM 0 H PHE A 81 -6.738 -6.271 -5.895 1.00 14.41 H new ATOM 0 HA PHE A 81 -9.022 -5.902 -4.062 1.00 63.01 H new ATOM 0 HB2 PHE A 81 -6.133 -6.501 -3.317 1.00 25.11 H new ATOM 0 HB3 PHE A 81 -7.333 -5.906 -2.186 1.00 25.11 H new ATOM 0 HD1 PHE A 81 -9.322 -7.329 -1.632 1.00 30.43 H new ATOM 0 HD2 PHE A 81 -6.076 -8.804 -3.962 1.00 13.45 H new ATOM 0 HE1 PHE A 81 -10.058 -9.632 -1.195 1.00 74.15 H new ATOM 0 HE2 PHE A 81 -6.812 -11.107 -3.532 1.00 72.41 H new ATOM 0 HZ PHE A 81 -8.802 -11.526 -2.143 1.00 62.51 H new ATOM 1177 N VAL A 82 -8.582 -3.495 -4.471 1.00 51.50 N ATOM 1178 CA VAL A 82 -8.361 -2.056 -4.553 1.00 2.32 C ATOM 1179 C VAL A 82 -8.996 -1.334 -3.369 1.00 2.30 C ATOM 1180 O VAL A 82 -10.115 -1.651 -2.965 1.00 4.33 O ATOM 1181 CB VAL A 82 -8.928 -1.473 -5.860 1.00 75.42 C ATOM 1182 CG1 VAL A 82 -8.738 0.036 -5.901 1.00 20.35 C ATOM 1183 CG2 VAL A 82 -8.277 -2.135 -7.065 1.00 12.41 C ATOM 0 H VAL A 82 -9.560 -3.776 -4.546 1.00 51.50 H new ATOM 0 HA VAL A 82 -7.282 -1.901 -4.534 1.00 2.32 H new ATOM 0 HB VAL A 82 -9.998 -1.680 -5.895 1.00 75.42 H new ATOM 0 HG11 VAL A 82 -9.145 0.429 -6.833 1.00 20.35 H new ATOM 0 HG12 VAL A 82 -9.257 0.491 -5.058 1.00 20.35 H new ATOM 0 HG13 VAL A 82 -7.675 0.271 -5.842 1.00 20.35 H new ATOM 0 HG21 VAL A 82 -8.690 -1.711 -7.980 1.00 12.41 H new ATOM 0 HG22 VAL A 82 -7.201 -1.962 -7.038 1.00 12.41 H new ATOM 0 HG23 VAL A 82 -8.473 -3.207 -7.041 1.00 12.41 H new ATOM 1193 N ILE A 83 -8.275 -0.362 -2.820 1.00 3.13 N ATOM 1194 CA ILE A 83 -8.769 0.406 -1.683 1.00 41.15 C ATOM 1195 C ILE A 83 -8.469 1.891 -1.851 1.00 41.21 C ATOM 1196 O ILE A 83 -7.339 2.274 -2.154 1.00 13.24 O ATOM 1197 CB ILE A 83 -8.152 -0.085 -0.361 1.00 25.50 C ATOM 1198 CG1 ILE A 83 -8.352 -1.595 -0.209 1.00 4.43 C ATOM 1199 CG2 ILE A 83 -8.766 0.657 0.817 1.00 22.45 C ATOM 1200 CD1 ILE A 83 -7.494 -2.211 0.874 1.00 32.45 C ATOM 0 H ILE A 83 -7.347 -0.088 -3.144 1.00 3.13 H new ATOM 0 HA ILE A 83 -9.848 0.258 -1.647 1.00 41.15 H new ATOM 0 HB ILE A 83 -7.082 0.121 -0.378 1.00 25.50 H new ATOM 0 HG12 ILE A 83 -9.401 -1.794 0.012 1.00 4.43 H new ATOM 0 HG13 ILE A 83 -8.128 -2.081 -1.159 1.00 4.43 H new ATOM 0 HG21 ILE A 83 -8.320 0.299 1.745 1.00 22.45 H new ATOM 0 HG22 ILE A 83 -8.578 1.725 0.712 1.00 22.45 H new ATOM 0 HG23 ILE A 83 -9.841 0.479 0.839 1.00 22.45 H new ATOM 0 HD11 ILE A 83 -7.687 -3.282 0.926 1.00 32.45 H new ATOM 0 HD12 ILE A 83 -6.442 -2.043 0.644 1.00 32.45 H new ATOM 0 HD13 ILE A 83 -7.734 -1.752 1.833 1.00 32.45 H new ATOM 1212 N GLU A 84 -9.487 2.722 -1.652 1.00 12.23 N ATOM 1213 CA GLU A 84 -9.330 4.166 -1.780 1.00 51.25 C ATOM 1214 C GLU A 84 -9.602 4.864 -0.450 1.00 63.22 C ATOM 1215 O GLU A 84 -10.545 4.519 0.262 1.00 43.52 O ATOM 1216 CB GLU A 84 -10.273 4.710 -2.856 1.00 41.11 C ATOM 1217 CG GLU A 84 -10.554 6.198 -2.723 1.00 60.50 C ATOM 1218 CD GLU A 84 -11.230 6.775 -3.951 1.00 41.52 C ATOM 1219 OE1 GLU A 84 -10.673 6.629 -5.059 1.00 51.52 O ATOM 1220 OE2 GLU A 84 -12.316 7.373 -3.804 1.00 42.32 O ATOM 0 H GLU A 84 -10.429 2.420 -1.402 1.00 12.23 H new ATOM 0 HA GLU A 84 -8.300 4.369 -2.073 1.00 51.25 H new ATOM 0 HB2 GLU A 84 -9.841 4.517 -3.838 1.00 41.11 H new ATOM 0 HB3 GLU A 84 -11.216 4.165 -2.810 1.00 41.11 H new ATOM 0 HG2 GLU A 84 -11.186 6.368 -1.851 1.00 60.50 H new ATOM 0 HG3 GLU A 84 -9.617 6.727 -2.546 1.00 60.50 H new ATOM 1227 N ALA A 85 -8.768 5.845 -0.123 1.00 2.24 N ATOM 1228 CA ALA A 85 -8.918 6.592 1.120 1.00 43.21 C ATOM 1229 C ALA A 85 -8.242 7.955 1.025 1.00 14.45 C ATOM 1230 O ALA A 85 -7.427 8.195 0.134 1.00 10.15 O ATOM 1231 CB ALA A 85 -8.348 5.797 2.285 1.00 43.31 C ATOM 0 H ALA A 85 -7.982 6.141 -0.701 1.00 2.24 H new ATOM 0 HA ALA A 85 -9.982 6.755 1.292 1.00 43.21 H new ATOM 0 HB1 ALA A 85 -8.467 6.367 3.207 1.00 43.31 H new ATOM 0 HB2 ALA A 85 -8.879 4.849 2.373 1.00 43.31 H new ATOM 0 HB3 ALA A 85 -7.289 5.605 2.111 1.00 43.31 H new ATOM 1237 N ASP A 86 -8.587 8.847 1.949 1.00 61.31 N ATOM 1238 CA ASP A 86 -8.014 10.187 1.970 1.00 42.43 C ATOM 1239 C ASP A 86 -6.506 10.129 2.194 1.00 23.12 C ATOM 1240 O ASP A 86 -6.027 9.432 3.090 1.00 64.23 O ATOM 1241 CB ASP A 86 -8.672 11.030 3.064 1.00 71.42 C ATOM 1242 CG ASP A 86 -10.183 10.912 3.054 1.00 31.21 C ATOM 1243 OD1 ASP A 86 -10.701 9.884 3.538 1.00 30.25 O ATOM 1244 OD2 ASP A 86 -10.848 11.847 2.564 1.00 43.43 O ATOM 0 H ASP A 86 -9.261 8.665 2.693 1.00 61.31 H new ATOM 0 HA ASP A 86 -8.203 10.651 1.002 1.00 42.43 H new ATOM 0 HB2 ASP A 86 -8.292 10.718 4.037 1.00 71.42 H new ATOM 0 HB3 ASP A 86 -8.391 12.075 2.932 1.00 71.42 H new ATOM 1249 N LEU A 87 -5.762 10.865 1.375 1.00 12.31 N ATOM 1250 CA LEU A 87 -4.307 10.897 1.483 1.00 53.41 C ATOM 1251 C LEU A 87 -3.871 10.980 2.942 1.00 11.32 C ATOM 1252 O LEU A 87 -3.013 10.220 3.388 1.00 45.34 O ATOM 1253 CB LEU A 87 -3.745 12.085 0.701 1.00 4.41 C ATOM 1254 CG LEU A 87 -2.251 12.360 0.880 1.00 31.22 C ATOM 1255 CD1 LEU A 87 -1.426 11.220 0.301 1.00 52.45 C ATOM 1256 CD2 LEU A 87 -1.870 13.681 0.229 1.00 63.22 C ATOM 0 H LEU A 87 -6.142 11.448 0.629 1.00 12.31 H new ATOM 0 HA LEU A 87 -3.915 9.973 1.059 1.00 53.41 H new ATOM 0 HB2 LEU A 87 -3.940 11.921 -0.359 1.00 4.41 H new ATOM 0 HB3 LEU A 87 -4.296 12.979 0.992 1.00 4.41 H new ATOM 0 HG LEU A 87 -2.039 12.430 1.947 1.00 31.22 H new ATOM 0 HD11 LEU A 87 -0.366 11.433 0.437 1.00 52.45 H new ATOM 0 HD12 LEU A 87 -1.679 10.291 0.813 1.00 52.45 H new ATOM 0 HD13 LEU A 87 -1.642 11.118 -0.763 1.00 52.45 H new ATOM 0 HD21 LEU A 87 -0.804 13.860 0.366 1.00 63.22 H new ATOM 0 HD22 LEU A 87 -2.097 13.640 -0.836 1.00 63.22 H new ATOM 0 HD23 LEU A 87 -2.436 14.490 0.690 1.00 63.22 H new ATOM 1268 N ALA A 88 -4.471 11.908 3.681 1.00 0.51 N ATOM 1269 CA ALA A 88 -4.147 12.088 5.091 1.00 52.42 C ATOM 1270 C ALA A 88 -4.180 10.759 5.835 1.00 12.23 C ATOM 1271 O ALA A 88 -3.321 10.482 6.673 1.00 35.33 O ATOM 1272 CB ALA A 88 -5.109 13.079 5.730 1.00 35.33 C ATOM 0 H ALA A 88 -5.183 12.546 3.327 1.00 0.51 H new ATOM 0 HA ALA A 88 -3.135 12.486 5.159 1.00 52.42 H new ATOM 0 HB1 ALA A 88 -4.856 13.204 6.783 1.00 35.33 H new ATOM 0 HB2 ALA A 88 -5.032 14.040 5.221 1.00 35.33 H new ATOM 0 HB3 ALA A 88 -6.129 12.703 5.644 1.00 35.33 H new ATOM 1278 N THR A 89 -5.180 9.938 5.526 1.00 25.25 N ATOM 1279 CA THR A 89 -5.326 8.637 6.169 1.00 72.05 C ATOM 1280 C THR A 89 -4.206 7.690 5.754 1.00 43.42 C ATOM 1281 O THR A 89 -3.626 6.997 6.590 1.00 64.10 O ATOM 1282 CB THR A 89 -6.681 7.991 5.826 1.00 55.32 C ATOM 1283 OG1 THR A 89 -7.752 8.821 6.292 1.00 22.24 O ATOM 1284 CG2 THR A 89 -6.797 6.609 6.451 1.00 4.34 C ATOM 0 H THR A 89 -5.900 10.151 4.835 1.00 25.25 H new ATOM 0 HA THR A 89 -5.274 8.808 7.244 1.00 72.05 H new ATOM 0 HB THR A 89 -6.745 7.889 4.743 1.00 55.32 H new ATOM 0 HG1 THR A 89 -8.610 8.404 6.068 1.00 22.24 H new ATOM 0 HG21 THR A 89 -7.763 6.173 6.194 1.00 4.34 H new ATOM 0 HG22 THR A 89 -5.999 5.970 6.073 1.00 4.34 H new ATOM 0 HG23 THR A 89 -6.713 6.691 7.535 1.00 4.34 H new ATOM 1292 N TRP A 90 -3.907 7.665 4.460 1.00 1.53 N ATOM 1293 CA TRP A 90 -2.854 6.803 3.935 1.00 0.10 C ATOM 1294 C TRP A 90 -1.509 7.136 4.572 1.00 34.12 C ATOM 1295 O TRP A 90 -0.798 6.246 5.039 1.00 41.02 O ATOM 1296 CB TRP A 90 -2.761 6.944 2.415 1.00 0.01 C ATOM 1297 CG TRP A 90 -3.817 6.173 1.682 1.00 52.43 C ATOM 1298 CD1 TRP A 90 -4.773 6.682 0.848 1.00 25.31 C ATOM 1299 CD2 TRP A 90 -4.024 4.757 1.717 1.00 54.41 C ATOM 1300 NE1 TRP A 90 -5.561 5.667 0.364 1.00 52.01 N ATOM 1301 CE2 TRP A 90 -5.123 4.476 0.880 1.00 4.14 C ATOM 1302 CE3 TRP A 90 -3.388 3.700 2.372 1.00 73.32 C ATOM 1303 CZ2 TRP A 90 -5.597 3.182 0.685 1.00 70.30 C ATOM 1304 CZ3 TRP A 90 -3.861 2.416 2.177 1.00 64.33 C ATOM 1305 CH2 TRP A 90 -4.955 2.165 1.339 1.00 45.32 C ATOM 0 H TRP A 90 -4.379 8.232 3.755 1.00 1.53 H new ATOM 0 HA TRP A 90 -3.107 5.772 4.182 1.00 0.10 H new ATOM 0 HB2 TRP A 90 -2.840 7.998 2.149 1.00 0.01 H new ATOM 0 HB3 TRP A 90 -1.779 6.605 2.085 1.00 0.01 H new ATOM 0 HD1 TRP A 90 -4.891 7.728 0.606 1.00 25.31 H new ATOM 0 HE1 TRP A 90 -6.346 5.781 -0.277 1.00 52.01 H new ATOM 0 HE3 TRP A 90 -2.543 3.883 3.019 1.00 73.32 H new ATOM 0 HZ2 TRP A 90 -6.441 2.987 0.041 1.00 70.30 H new ATOM 0 HZ3 TRP A 90 -3.378 1.591 2.680 1.00 64.33 H new ATOM 0 HH2 TRP A 90 -5.299 1.150 1.206 1.00 45.32 H new ATOM 1316 N GLN A 91 -1.169 8.420 4.590 1.00 73.24 N ATOM 1317 CA GLN A 91 0.091 8.868 5.169 1.00 24.12 C ATOM 1318 C GLN A 91 0.338 8.200 6.518 1.00 51.54 C ATOM 1319 O GLN A 91 1.451 7.765 6.811 1.00 70.20 O ATOM 1320 CB GLN A 91 0.090 10.389 5.333 1.00 40.51 C ATOM 1321 CG GLN A 91 0.115 11.143 4.013 1.00 10.14 C ATOM 1322 CD GLN A 91 1.461 11.781 3.731 1.00 10.23 C ATOM 1323 OE1 GLN A 91 2.399 11.653 4.518 1.00 74.24 O ATOM 1324 NE2 GLN A 91 1.563 12.476 2.604 1.00 74.22 N ATOM 0 H GLN A 91 -1.749 9.168 4.210 1.00 73.24 H new ATOM 0 HA GLN A 91 0.895 8.584 4.490 1.00 24.12 H new ATOM 0 HB2 GLN A 91 -0.796 10.685 5.894 1.00 40.51 H new ATOM 0 HB3 GLN A 91 0.956 10.683 5.926 1.00 40.51 H new ATOM 0 HG2 GLN A 91 -0.135 10.458 3.203 1.00 10.14 H new ATOM 0 HG3 GLN A 91 -0.654 11.916 4.026 1.00 10.14 H new ATOM 0 HE21 GLN A 91 0.760 12.557 1.980 1.00 74.22 H new ATOM 0 HE22 GLN A 91 2.444 12.929 2.362 1.00 74.22 H new ATOM 1333 N GLU A 92 -0.708 8.123 7.335 1.00 61.31 N ATOM 1334 CA GLU A 92 -0.604 7.509 8.653 1.00 44.13 C ATOM 1335 C GLU A 92 -0.131 6.062 8.543 1.00 55.10 C ATOM 1336 O GLU A 92 0.989 5.732 8.932 1.00 31.13 O ATOM 1337 CB GLU A 92 -1.952 7.563 9.374 1.00 23.12 C ATOM 1338 CG GLU A 92 -2.678 8.888 9.208 1.00 72.42 C ATOM 1339 CD GLU A 92 -3.196 9.438 10.523 1.00 64.22 C ATOM 1340 OE1 GLU A 92 -2.407 10.072 11.254 1.00 41.13 O ATOM 1341 OE2 GLU A 92 -4.392 9.234 10.820 1.00 0.13 O ATOM 0 H GLU A 92 -1.637 8.478 7.107 1.00 61.31 H new ATOM 0 HA GLU A 92 0.131 8.071 9.230 1.00 44.13 H new ATOM 0 HB2 GLU A 92 -2.587 6.761 8.999 1.00 23.12 H new ATOM 0 HB3 GLU A 92 -1.794 7.375 10.436 1.00 23.12 H new ATOM 0 HG2 GLU A 92 -2.002 9.614 8.756 1.00 72.42 H new ATOM 0 HG3 GLU A 92 -3.513 8.757 8.519 1.00 72.42 H new ATOM 1348 N VAL A 93 -0.994 5.202 8.011 1.00 52.12 N ATOM 1349 CA VAL A 93 -0.667 3.791 7.849 1.00 51.11 C ATOM 1350 C VAL A 93 0.696 3.616 7.189 1.00 64.53 C ATOM 1351 O VAL A 93 1.347 2.581 7.345 1.00 31.51 O ATOM 1352 CB VAL A 93 -1.729 3.061 7.007 1.00 62.01 C ATOM 1353 CG1 VAL A 93 -1.741 3.594 5.583 1.00 74.42 C ATOM 1354 CG2 VAL A 93 -1.482 1.561 7.022 1.00 64.42 C ATOM 0 H VAL A 93 -1.926 5.459 7.685 1.00 52.12 H new ATOM 0 HA VAL A 93 -0.644 3.355 8.848 1.00 51.11 H new ATOM 0 HB VAL A 93 -2.708 3.249 7.447 1.00 62.01 H new ATOM 0 HG11 VAL A 93 -2.498 3.066 5.003 1.00 74.42 H new ATOM 0 HG12 VAL A 93 -1.971 4.659 5.595 1.00 74.42 H new ATOM 0 HG13 VAL A 93 -0.762 3.439 5.128 1.00 74.42 H new ATOM 0 HG21 VAL A 93 -2.242 1.061 6.422 1.00 64.42 H new ATOM 0 HG22 VAL A 93 -0.496 1.350 6.608 1.00 64.42 H new ATOM 0 HG23 VAL A 93 -1.530 1.195 8.047 1.00 64.42 H new ATOM 1364 N LEU A 94 1.126 4.634 6.452 1.00 74.41 N ATOM 1365 CA LEU A 94 2.414 4.593 5.768 1.00 2.21 C ATOM 1366 C LEU A 94 3.535 5.067 6.688 1.00 33.20 C ATOM 1367 O LEU A 94 4.676 4.623 6.570 1.00 42.22 O ATOM 1368 CB LEU A 94 2.372 5.462 4.509 1.00 60.54 C ATOM 1369 CG LEU A 94 3.198 4.962 3.322 1.00 14.13 C ATOM 1370 CD1 LEU A 94 4.562 4.479 3.787 1.00 23.43 C ATOM 1371 CD2 LEU A 94 2.459 3.854 2.587 1.00 62.32 C ATOM 0 H LEU A 94 0.602 5.498 6.313 1.00 74.41 H new ATOM 0 HA LEU A 94 2.614 3.560 5.484 1.00 2.21 H new ATOM 0 HB2 LEU A 94 1.334 5.555 4.190 1.00 60.54 H new ATOM 0 HB3 LEU A 94 2.716 6.463 4.770 1.00 60.54 H new ATOM 0 HG LEU A 94 3.346 5.792 2.631 1.00 14.13 H new ATOM 0 HD11 LEU A 94 5.135 4.127 2.929 1.00 23.43 H new ATOM 0 HD12 LEU A 94 5.094 5.300 4.267 1.00 23.43 H new ATOM 0 HD13 LEU A 94 4.436 3.663 4.498 1.00 23.43 H new ATOM 0 HD21 LEU A 94 3.061 3.511 1.746 1.00 62.32 H new ATOM 0 HD22 LEU A 94 2.279 3.022 3.268 1.00 62.32 H new ATOM 0 HD23 LEU A 94 1.506 4.234 2.219 1.00 62.32 H new ATOM 1383 N GLU A 95 3.199 5.967 7.606 1.00 44.50 N ATOM 1384 CA GLU A 95 4.178 6.499 8.548 1.00 52.44 C ATOM 1385 C GLU A 95 4.505 5.473 9.629 1.00 61.11 C ATOM 1386 O GLU A 95 5.610 5.455 10.168 1.00 45.32 O ATOM 1387 CB GLU A 95 3.653 7.785 9.191 1.00 65.04 C ATOM 1388 CG GLU A 95 3.632 8.974 8.244 1.00 2.10 C ATOM 1389 CD GLU A 95 4.674 10.018 8.596 1.00 0.22 C ATOM 1390 OE1 GLU A 95 5.877 9.681 8.587 1.00 71.20 O ATOM 1391 OE2 GLU A 95 4.288 11.170 8.880 1.00 14.54 O ATOM 0 H GLU A 95 2.258 6.343 7.718 1.00 44.50 H new ATOM 0 HA GLU A 95 5.091 6.724 7.997 1.00 52.44 H new ATOM 0 HB2 GLU A 95 2.644 7.610 9.563 1.00 65.04 H new ATOM 0 HB3 GLU A 95 4.273 8.029 10.054 1.00 65.04 H new ATOM 0 HG2 GLU A 95 3.802 8.625 7.225 1.00 2.10 H new ATOM 0 HG3 GLU A 95 2.643 9.432 8.264 1.00 2.10 H new ATOM 1398 N GLY A 96 3.533 4.621 9.942 1.00 65.44 N ATOM 1399 CA GLY A 96 3.739 3.605 10.957 1.00 75.34 C ATOM 1400 C GLY A 96 2.823 3.788 12.152 1.00 64.44 C ATOM 1401 O GLY A 96 2.752 2.923 13.025 1.00 31.10 O ATOM 0 H GLY A 96 2.608 4.616 9.511 1.00 65.44 H new ATOM 0 HA2 GLY A 96 3.571 2.620 10.521 1.00 75.34 H new ATOM 0 HA3 GLY A 96 4.776 3.633 11.290 1.00 75.34 H new ATOM 1405 N ARG A 97 2.123 4.917 12.192 1.00 42.13 N ATOM 1406 CA ARG A 97 1.212 5.212 13.290 1.00 14.21 C ATOM 1407 C ARG A 97 -0.099 4.450 13.128 1.00 20.04 C ATOM 1408 O ARG A 97 -0.637 3.906 14.093 1.00 13.24 O ATOM 1409 CB ARG A 97 0.934 6.715 13.361 1.00 5.12 C ATOM 1410 CG ARG A 97 2.163 7.573 13.110 1.00 51.14 C ATOM 1411 CD ARG A 97 2.204 8.774 14.042 1.00 1.11 C ATOM 1412 NE ARG A 97 3.341 8.719 14.956 1.00 50.51 N ATOM 1413 CZ ARG A 97 3.410 9.414 16.087 1.00 35.30 C ATOM 1414 NH1 ARG A 97 2.411 10.212 16.439 1.00 23.45 N ATOM 1415 NH2 ARG A 97 4.478 9.310 16.866 1.00 2.24 N ATOM 0 H ARG A 97 2.170 5.642 11.476 1.00 42.13 H new ATOM 0 HA ARG A 97 1.687 4.893 14.218 1.00 14.21 H new ATOM 0 HB2 ARG A 97 0.168 6.969 12.629 1.00 5.12 H new ATOM 0 HB3 ARG A 97 0.528 6.955 14.344 1.00 5.12 H new ATOM 0 HG2 ARG A 97 3.062 6.972 13.249 1.00 51.14 H new ATOM 0 HG3 ARG A 97 2.165 7.914 12.075 1.00 51.14 H new ATOM 0 HD2 ARG A 97 2.257 9.689 13.452 1.00 1.11 H new ATOM 0 HD3 ARG A 97 1.279 8.819 14.617 1.00 1.11 H new ATOM 0 HE ARG A 97 4.126 8.114 14.713 1.00 50.51 H new ATOM 0 HH11 ARG A 97 1.588 10.293 15.842 1.00 23.45 H new ATOM 0 HH12 ARG A 97 2.465 10.745 17.307 1.00 23.45 H new ATOM 0 HH21 ARG A 97 5.247 8.696 16.597 1.00 2.24 H new ATOM 0 HH22 ARG A 97 4.530 9.844 17.734 1.00 2.24 H new ATOM 1429 N LEU A 98 -0.608 4.414 11.902 1.00 75.04 N ATOM 1430 CA LEU A 98 -1.857 3.718 11.612 1.00 35.32 C ATOM 1431 C LEU A 98 -1.588 2.343 11.010 1.00 60.34 C ATOM 1432 O LEU A 98 -0.437 1.938 10.855 1.00 43.43 O ATOM 1433 CB LEU A 98 -2.717 4.547 10.656 1.00 41.12 C ATOM 1434 CG LEU A 98 -3.702 5.519 11.308 1.00 23.41 C ATOM 1435 CD1 LEU A 98 -5.057 4.855 11.503 1.00 41.15 C ATOM 1436 CD2 LEU A 98 -3.156 6.020 12.637 1.00 63.20 C ATOM 0 H LEU A 98 -0.175 4.859 11.092 1.00 75.04 H new ATOM 0 HA LEU A 98 -2.395 3.584 12.551 1.00 35.32 H new ATOM 0 HB2 LEU A 98 -2.054 5.116 10.004 1.00 41.12 H new ATOM 0 HB3 LEU A 98 -3.280 3.863 10.020 1.00 41.12 H new ATOM 0 HG LEU A 98 -3.831 6.375 10.645 1.00 23.41 H new ATOM 0 HD11 LEU A 98 -5.745 5.561 11.968 1.00 41.15 H new ATOM 0 HD12 LEU A 98 -5.453 4.546 10.536 1.00 41.15 H new ATOM 0 HD13 LEU A 98 -4.945 3.981 12.145 1.00 41.15 H new ATOM 0 HD21 LEU A 98 -3.870 6.710 13.087 1.00 63.20 H new ATOM 0 HD22 LEU A 98 -2.997 5.175 13.307 1.00 63.20 H new ATOM 0 HD23 LEU A 98 -2.209 6.534 12.471 1.00 63.20 H new ATOM 1448 N GLU A 99 -2.658 1.631 10.671 1.00 32.31 N ATOM 1449 CA GLU A 99 -2.536 0.301 10.084 1.00 50.40 C ATOM 1450 C GLU A 99 -3.556 0.105 8.965 1.00 63.10 C ATOM 1451 O GLU A 99 -4.616 0.728 8.941 1.00 54.21 O ATOM 1452 CB GLU A 99 -2.726 -0.773 11.157 1.00 61.23 C ATOM 1453 CG GLU A 99 -1.484 -1.611 11.406 1.00 42.11 C ATOM 1454 CD GLU A 99 -1.184 -1.785 12.881 1.00 32.45 C ATOM 1455 OE1 GLU A 99 -1.314 -0.798 13.635 1.00 14.02 O ATOM 1456 OE2 GLU A 99 -0.819 -2.910 13.284 1.00 73.52 O ATOM 0 H GLU A 99 -3.618 1.952 10.792 1.00 32.31 H new ATOM 0 HA GLU A 99 -1.536 0.208 9.661 1.00 50.40 H new ATOM 0 HB2 GLU A 99 -3.024 -0.294 12.090 1.00 61.23 H new ATOM 0 HB3 GLU A 99 -3.544 -1.430 10.861 1.00 61.23 H new ATOM 0 HG2 GLU A 99 -1.614 -2.591 10.947 1.00 42.11 H new ATOM 0 HG3 GLU A 99 -0.630 -1.142 10.918 1.00 42.11 H new ATOM 1463 N PRO A 100 -3.226 -0.783 8.015 1.00 0.35 N ATOM 1464 CA PRO A 100 -4.099 -1.082 6.876 1.00 23.51 C ATOM 1465 C PRO A 100 -5.352 -1.844 7.290 1.00 50.11 C ATOM 1466 O PRO A 100 -6.469 -1.460 6.941 1.00 42.54 O ATOM 1467 CB PRO A 100 -3.218 -1.952 5.974 1.00 22.25 C ATOM 1468 CG PRO A 100 -2.229 -2.575 6.898 1.00 33.25 C ATOM 1469 CD PRO A 100 -1.978 -1.562 7.981 1.00 64.45 C ATOM 0 HA PRO A 100 -4.465 -0.176 6.394 1.00 23.51 H new ATOM 0 HB2 PRO A 100 -3.807 -2.709 5.456 1.00 22.25 H new ATOM 0 HB3 PRO A 100 -2.723 -1.354 5.209 1.00 22.25 H new ATOM 0 HG2 PRO A 100 -2.617 -3.504 7.315 1.00 33.25 H new ATOM 0 HG3 PRO A 100 -1.306 -2.822 6.373 1.00 33.25 H new ATOM 0 HD2 PRO A 100 -1.777 -2.040 8.940 1.00 64.45 H new ATOM 0 HD3 PRO A 100 -1.118 -0.933 7.751 1.00 64.45 H new ATOM 1477 N LEU A 101 -5.162 -2.926 8.038 1.00 10.20 N ATOM 1478 CA LEU A 101 -6.279 -3.741 8.501 1.00 64.32 C ATOM 1479 C LEU A 101 -7.101 -2.995 9.547 1.00 35.40 C ATOM 1480 O LEU A 101 -8.331 -2.989 9.495 1.00 24.12 O ATOM 1481 CB LEU A 101 -5.766 -5.060 9.084 1.00 2.51 C ATOM 1482 CG LEU A 101 -5.538 -6.193 8.083 1.00 44.13 C ATOM 1483 CD1 LEU A 101 -6.851 -6.608 7.439 1.00 43.21 C ATOM 1484 CD2 LEU A 101 -4.530 -5.773 7.022 1.00 14.44 C ATOM 0 H LEU A 101 -4.245 -3.259 8.336 1.00 10.20 H new ATOM 0 HA LEU A 101 -6.921 -3.954 7.646 1.00 64.32 H new ATOM 0 HB2 LEU A 101 -4.827 -4.864 9.601 1.00 2.51 H new ATOM 0 HB3 LEU A 101 -6.478 -5.403 9.835 1.00 2.51 H new ATOM 0 HG LEU A 101 -5.133 -7.051 8.620 1.00 44.13 H new ATOM 0 HD11 LEU A 101 -6.669 -7.415 6.730 1.00 43.21 H new ATOM 0 HD12 LEU A 101 -7.542 -6.951 8.209 1.00 43.21 H new ATOM 0 HD13 LEU A 101 -7.285 -5.756 6.916 1.00 43.21 H new ATOM 0 HD21 LEU A 101 -4.380 -6.592 6.318 1.00 14.44 H new ATOM 0 HD22 LEU A 101 -4.906 -4.900 6.488 1.00 14.44 H new ATOM 0 HD23 LEU A 101 -3.581 -5.526 7.499 1.00 14.44 H new ATOM 1496 N SER A 102 -6.413 -2.367 10.495 1.00 54.45 N ATOM 1497 CA SER A 102 -7.081 -1.619 11.554 1.00 5.44 C ATOM 1498 C SER A 102 -7.826 -0.417 10.983 1.00 34.15 C ATOM 1499 O SER A 102 -8.951 -0.122 11.387 1.00 0.02 O ATOM 1500 CB SER A 102 -6.062 -1.153 12.597 1.00 31.12 C ATOM 1501 OG SER A 102 -6.684 -0.917 13.848 1.00 54.12 O ATOM 0 H SER A 102 -5.395 -2.361 10.552 1.00 54.45 H new ATOM 0 HA SER A 102 -7.805 -2.280 12.032 1.00 5.44 H new ATOM 0 HB2 SER A 102 -5.283 -1.907 12.711 1.00 31.12 H new ATOM 0 HB3 SER A 102 -5.575 -0.241 12.252 1.00 31.12 H new ATOM 0 HG SER A 102 -6.012 -0.622 14.497 1.00 54.12 H new ATOM 1507 N ALA A 103 -7.192 0.273 10.041 1.00 2.00 N ATOM 1508 CA ALA A 103 -7.796 1.442 9.413 1.00 22.43 C ATOM 1509 C ALA A 103 -9.070 1.066 8.665 1.00 75.55 C ATOM 1510 O ALA A 103 -10.138 1.626 8.916 1.00 33.13 O ATOM 1511 CB ALA A 103 -6.804 2.105 8.470 1.00 43.13 C ATOM 0 H ALA A 103 -6.260 0.043 9.696 1.00 2.00 H new ATOM 0 HA ALA A 103 -8.063 2.149 10.198 1.00 22.43 H new ATOM 0 HB1 ALA A 103 -7.268 2.976 8.008 1.00 43.13 H new ATOM 0 HB2 ALA A 103 -5.923 2.417 9.030 1.00 43.13 H new ATOM 0 HB3 ALA A 103 -6.510 1.397 7.695 1.00 43.13 H new ATOM 1517 N LEU A 104 -8.952 0.116 7.744 1.00 41.34 N ATOM 1518 CA LEU A 104 -10.094 -0.335 6.958 1.00 54.25 C ATOM 1519 C LEU A 104 -11.180 -0.915 7.858 1.00 34.02 C ATOM 1520 O LEU A 104 -12.371 -0.788 7.573 1.00 24.20 O ATOM 1521 CB LEU A 104 -9.653 -1.381 5.933 1.00 73.21 C ATOM 1522 CG LEU A 104 -10.046 -2.827 6.239 1.00 4.31 C ATOM 1523 CD1 LEU A 104 -11.407 -3.149 5.643 1.00 12.41 C ATOM 1524 CD2 LEU A 104 -8.991 -3.789 5.711 1.00 23.13 C ATOM 0 H LEU A 104 -8.076 -0.357 7.523 1.00 41.34 H new ATOM 0 HA LEU A 104 -10.505 0.528 6.433 1.00 54.25 H new ATOM 0 HB2 LEU A 104 -10.071 -1.109 4.964 1.00 73.21 H new ATOM 0 HB3 LEU A 104 -8.568 -1.333 5.838 1.00 73.21 H new ATOM 0 HG LEU A 104 -10.109 -2.944 7.321 1.00 4.31 H new ATOM 0 HD11 LEU A 104 -11.669 -4.182 5.871 1.00 12.41 H new ATOM 0 HD12 LEU A 104 -12.157 -2.482 6.068 1.00 12.41 H new ATOM 0 HD13 LEU A 104 -11.372 -3.014 4.562 1.00 12.41 H new ATOM 0 HD21 LEU A 104 -9.287 -4.813 5.937 1.00 23.13 H new ATOM 0 HD22 LEU A 104 -8.896 -3.669 4.632 1.00 23.13 H new ATOM 0 HD23 LEU A 104 -8.033 -3.575 6.185 1.00 23.13 H new ATOM 1536 N MET A 105 -10.762 -1.549 8.949 1.00 45.34 N ATOM 1537 CA MET A 105 -11.698 -2.145 9.894 1.00 50.12 C ATOM 1538 C MET A 105 -12.307 -1.081 10.800 1.00 34.11 C ATOM 1539 O MET A 105 -13.457 -1.197 11.226 1.00 73.41 O ATOM 1540 CB MET A 105 -10.996 -3.210 10.738 1.00 2.10 C ATOM 1541 CG MET A 105 -10.810 -4.534 10.015 1.00 73.12 C ATOM 1542 SD MET A 105 -11.347 -5.946 10.999 1.00 24.34 S ATOM 1543 CE MET A 105 -12.827 -6.431 10.118 1.00 74.13 C ATOM 0 H MET A 105 -9.780 -1.663 9.200 1.00 45.34 H new ATOM 0 HA MET A 105 -12.500 -2.614 9.325 1.00 50.12 H new ATOM 0 HB2 MET A 105 -10.020 -2.833 11.045 1.00 2.10 H new ATOM 0 HB3 MET A 105 -11.573 -3.380 11.647 1.00 2.10 H new ATOM 0 HG2 MET A 105 -11.370 -4.514 9.080 1.00 73.12 H new ATOM 0 HG3 MET A 105 -9.759 -4.657 9.755 1.00 73.12 H new ATOM 0 HE1 MET A 105 -13.449 -7.050 10.765 1.00 74.13 H new ATOM 0 HE2 MET A 105 -13.383 -5.541 9.823 1.00 74.13 H new ATOM 0 HE3 MET A 105 -12.552 -6.998 9.229 1.00 74.13 H new ATOM 1553 N ARG A 106 -11.530 -0.044 11.093 1.00 40.02 N ATOM 1554 CA ARG A 106 -11.993 1.041 11.951 1.00 43.00 C ATOM 1555 C ARG A 106 -12.981 1.936 11.210 1.00 53.04 C ATOM 1556 O ARG A 106 -13.774 2.647 11.826 1.00 22.32 O ATOM 1557 CB ARG A 106 -10.806 1.871 12.444 1.00 71.12 C ATOM 1558 CG ARG A 106 -10.162 1.323 13.706 1.00 23.34 C ATOM 1559 CD ARG A 106 -9.337 2.384 14.417 1.00 45.23 C ATOM 1560 NE ARG A 106 -8.725 1.874 15.641 1.00 52.32 N ATOM 1561 CZ ARG A 106 -7.680 2.441 16.232 1.00 24.11 C ATOM 1562 NH1 ARG A 106 -7.132 3.532 15.713 1.00 23.15 N ATOM 1563 NH2 ARG A 106 -7.179 1.917 17.344 1.00 53.41 N ATOM 0 H ARG A 106 -10.576 0.068 10.749 1.00 40.02 H new ATOM 0 HA ARG A 106 -12.501 0.601 12.809 1.00 43.00 H new ATOM 0 HB2 ARG A 106 -10.055 1.920 11.655 1.00 71.12 H new ATOM 0 HB3 ARG A 106 -11.140 2.892 12.630 1.00 71.12 H new ATOM 0 HG2 ARG A 106 -10.935 0.951 14.378 1.00 23.34 H new ATOM 0 HG3 ARG A 106 -9.525 0.475 13.452 1.00 23.34 H new ATOM 0 HD2 ARG A 106 -8.558 2.747 13.746 1.00 45.23 H new ATOM 0 HD3 ARG A 106 -9.973 3.236 14.658 1.00 45.23 H new ATOM 0 HE ARG A 106 -9.122 1.036 16.065 1.00 52.32 H new ATOM 0 HH11 ARG A 106 -7.513 3.937 14.858 1.00 23.15 H new ATOM 0 HH12 ARG A 106 -6.329 3.966 16.169 1.00 23.15 H new ATOM 0 HH21 ARG A 106 -7.597 1.078 17.746 1.00 53.41 H new ATOM 0 HH22 ARG A 106 -6.376 2.354 17.797 1.00 53.41 H new ATOM 1577 N GLY A 107 -12.929 1.895 9.881 1.00 2.33 N ATOM 1578 CA GLY A 107 -13.825 2.707 9.079 1.00 41.42 C ATOM 1579 C GLY A 107 -13.114 3.870 8.414 1.00 64.25 C ATOM 1580 O GLY A 107 -13.728 4.897 8.119 1.00 25.52 O ATOM 0 H GLY A 107 -12.283 1.314 9.347 1.00 2.33 H new ATOM 0 HA2 GLY A 107 -14.289 2.084 8.315 1.00 41.42 H new ATOM 0 HA3 GLY A 107 -14.628 3.089 9.710 1.00 41.42 H new ATOM 1584 N LEU A 108 -11.817 3.710 8.178 1.00 5.14 N ATOM 1585 CA LEU A 108 -11.020 4.756 7.546 1.00 60.24 C ATOM 1586 C LEU A 108 -10.829 4.471 6.059 1.00 41.52 C ATOM 1587 O LEU A 108 -10.898 5.378 5.228 1.00 61.20 O ATOM 1588 CB LEU A 108 -9.658 4.874 8.232 1.00 33.45 C ATOM 1589 CG LEU A 108 -9.684 5.006 9.756 1.00 11.10 C ATOM 1590 CD1 LEU A 108 -8.321 4.675 10.343 1.00 52.30 C ATOM 1591 CD2 LEU A 108 -10.116 6.408 10.161 1.00 3.44 C ATOM 0 H LEU A 108 -11.295 2.866 8.414 1.00 5.14 H new ATOM 0 HA LEU A 108 -11.556 5.699 7.652 1.00 60.24 H new ATOM 0 HB2 LEU A 108 -9.066 3.996 7.973 1.00 33.45 H new ATOM 0 HB3 LEU A 108 -9.140 5.741 7.821 1.00 33.45 H new ATOM 0 HG LEU A 108 -10.409 4.295 10.152 1.00 11.10 H new ATOM 0 HD11 LEU A 108 -8.358 4.774 11.428 1.00 52.30 H new ATOM 0 HD12 LEU A 108 -8.051 3.652 10.081 1.00 52.30 H new ATOM 0 HD13 LEU A 108 -7.575 5.361 9.941 1.00 52.30 H new ATOM 0 HD21 LEU A 108 -10.129 6.485 11.248 1.00 3.44 H new ATOM 0 HD22 LEU A 108 -9.415 7.137 9.754 1.00 3.44 H new ATOM 0 HD23 LEU A 108 -11.114 6.608 9.771 1.00 3.44 H new ATOM 1603 N LEU A 109 -10.592 3.207 5.730 1.00 62.51 N ATOM 1604 CA LEU A 109 -10.394 2.800 4.343 1.00 12.33 C ATOM 1605 C LEU A 109 -11.620 2.068 3.809 1.00 14.52 C ATOM 1606 O LEU A 109 -12.577 1.824 4.544 1.00 52.10 O ATOM 1607 CB LEU A 109 -9.160 1.904 4.224 1.00 44.53 C ATOM 1608 CG LEU A 109 -7.961 2.294 5.091 1.00 53.25 C ATOM 1609 CD1 LEU A 109 -6.970 1.144 5.180 1.00 41.25 C ATOM 1610 CD2 LEU A 109 -7.286 3.541 4.537 1.00 74.41 C ATOM 0 H LEU A 109 -10.532 2.445 6.405 1.00 62.51 H new ATOM 0 HA LEU A 109 -10.242 3.699 3.746 1.00 12.33 H new ATOM 0 HB2 LEU A 109 -9.450 0.884 4.478 1.00 44.53 H new ATOM 0 HB3 LEU A 109 -8.842 1.895 3.182 1.00 44.53 H new ATOM 0 HG LEU A 109 -8.320 2.515 6.096 1.00 53.25 H new ATOM 0 HD11 LEU A 109 -6.124 1.440 5.800 1.00 41.25 H new ATOM 0 HD12 LEU A 109 -7.459 0.276 5.623 1.00 41.25 H new ATOM 0 HD13 LEU A 109 -6.616 0.891 4.181 1.00 41.25 H new ATOM 0 HD21 LEU A 109 -6.435 3.804 5.166 1.00 74.41 H new ATOM 0 HD22 LEU A 109 -6.940 3.347 3.522 1.00 74.41 H new ATOM 0 HD23 LEU A 109 -7.998 4.366 4.526 1.00 74.41 H new ATOM 1622 N GLU A 110 -11.585 1.721 2.527 1.00 33.12 N ATOM 1623 CA GLU A 110 -12.694 1.015 1.896 1.00 52.11 C ATOM 1624 C GLU A 110 -12.222 0.254 0.660 1.00 50.21 C ATOM 1625 O GLU A 110 -11.682 0.843 -0.276 1.00 70.35 O ATOM 1626 CB GLU A 110 -13.800 1.999 1.511 1.00 0.44 C ATOM 1627 CG GLU A 110 -15.193 1.393 1.543 1.00 73.42 C ATOM 1628 CD GLU A 110 -16.115 1.994 0.501 1.00 50.03 C ATOM 1629 OE1 GLU A 110 -16.022 3.216 0.259 1.00 24.42 O ATOM 1630 OE2 GLU A 110 -16.931 1.243 -0.074 1.00 64.02 O ATOM 0 H GLU A 110 -10.801 1.917 1.905 1.00 33.12 H new ATOM 0 HA GLU A 110 -13.090 0.297 2.614 1.00 52.11 H new ATOM 0 HB2 GLU A 110 -13.768 2.852 2.189 1.00 0.44 H new ATOM 0 HB3 GLU A 110 -13.602 2.381 0.509 1.00 0.44 H new ATOM 0 HG2 GLU A 110 -15.121 0.317 1.382 1.00 73.42 H new ATOM 0 HG3 GLU A 110 -15.626 1.539 2.533 1.00 73.42 H new ATOM 1637 N LEU A 111 -12.430 -1.058 0.665 1.00 33.25 N ATOM 1638 CA LEU A 111 -12.027 -1.902 -0.454 1.00 11.53 C ATOM 1639 C LEU A 111 -13.116 -1.949 -1.520 1.00 41.13 C ATOM 1640 O LEU A 111 -14.198 -2.494 -1.295 1.00 23.34 O ATOM 1641 CB LEU A 111 -11.713 -3.316 0.035 1.00 62.34 C ATOM 1642 CG LEU A 111 -11.214 -4.298 -1.026 1.00 25.33 C ATOM 1643 CD1 LEU A 111 -9.696 -4.269 -1.108 1.00 2.24 C ATOM 1644 CD2 LEU A 111 -11.707 -5.706 -0.724 1.00 12.11 C ATOM 0 H LEU A 111 -12.876 -1.561 1.432 1.00 33.25 H new ATOM 0 HA LEU A 111 -11.129 -1.471 -0.897 1.00 11.53 H new ATOM 0 HB2 LEU A 111 -10.961 -3.248 0.821 1.00 62.34 H new ATOM 0 HB3 LEU A 111 -12.613 -3.730 0.490 1.00 62.34 H new ATOM 0 HG LEU A 111 -11.616 -3.994 -1.993 1.00 25.33 H new ATOM 0 HD11 LEU A 111 -9.359 -4.974 -1.868 1.00 2.24 H new ATOM 0 HD12 LEU A 111 -9.365 -3.265 -1.372 1.00 2.24 H new ATOM 0 HD13 LEU A 111 -9.274 -4.548 -0.142 1.00 2.24 H new ATOM 0 HD21 LEU A 111 -11.342 -6.391 -1.489 1.00 12.11 H new ATOM 0 HD22 LEU A 111 -11.335 -6.020 0.251 1.00 12.11 H new ATOM 0 HD23 LEU A 111 -12.797 -5.716 -0.717 1.00 12.11 H new ATOM 1656 N LYS A 112 -12.825 -1.377 -2.683 1.00 63.42 N ATOM 1657 CA LYS A 112 -13.777 -1.358 -3.787 1.00 42.24 C ATOM 1658 C LYS A 112 -13.806 -2.702 -4.506 1.00 33.11 C ATOM 1659 O LYS A 112 -14.874 -3.217 -4.840 1.00 45.23 O ATOM 1660 CB LYS A 112 -13.420 -0.246 -4.777 1.00 4.21 C ATOM 1661 CG LYS A 112 -13.969 1.116 -4.388 1.00 71.30 C ATOM 1662 CD LYS A 112 -14.767 1.739 -5.520 1.00 65.11 C ATOM 1663 CE LYS A 112 -13.866 2.493 -6.487 1.00 14.34 C ATOM 1664 NZ LYS A 112 -14.651 3.249 -7.501 1.00 12.44 N ATOM 0 H LYS A 112 -11.936 -0.920 -2.886 1.00 63.42 H new ATOM 0 HA LYS A 112 -14.768 -1.166 -3.375 1.00 42.24 H new ATOM 0 HB2 LYS A 112 -12.335 -0.180 -4.861 1.00 4.21 H new ATOM 0 HB3 LYS A 112 -13.800 -0.513 -5.763 1.00 4.21 H new ATOM 0 HG2 LYS A 112 -14.603 1.016 -3.507 1.00 71.30 H new ATOM 0 HG3 LYS A 112 -13.146 1.777 -4.115 1.00 71.30 H new ATOM 0 HD2 LYS A 112 -15.308 0.960 -6.057 1.00 65.11 H new ATOM 0 HD3 LYS A 112 -15.513 2.420 -5.109 1.00 65.11 H new ATOM 0 HE2 LYS A 112 -13.232 3.183 -5.930 1.00 14.34 H new ATOM 0 HE3 LYS A 112 -13.204 1.789 -6.991 1.00 14.34 H new ATOM 0 HZ1 LYS A 112 -14.001 3.749 -8.141 1.00 12.44 H new ATOM 0 HZ2 LYS A 112 -15.237 2.588 -8.050 1.00 12.44 H new ATOM 0 HZ3 LYS A 112 -15.264 3.939 -7.022 1.00 12.44 H new ATOM 1678 N LYS A 113 -12.626 -3.269 -4.738 1.00 14.11 N ATOM 1679 CA LYS A 113 -12.516 -4.557 -5.414 1.00 14.22 C ATOM 1680 C LYS A 113 -12.439 -5.697 -4.403 1.00 71.13 C ATOM 1681 O LYS A 113 -12.665 -5.499 -3.211 1.00 42.30 O ATOM 1682 CB LYS A 113 -11.281 -4.577 -6.318 1.00 23.32 C ATOM 1683 CG LYS A 113 -11.595 -4.887 -7.771 1.00 31.14 C ATOM 1684 CD LYS A 113 -11.759 -3.617 -8.589 1.00 63.14 C ATOM 1685 CE LYS A 113 -13.219 -3.203 -8.691 1.00 5.55 C ATOM 1686 NZ LYS A 113 -13.402 -2.029 -9.588 1.00 63.23 N ATOM 0 H LYS A 113 -11.733 -2.857 -4.468 1.00 14.11 H new ATOM 0 HA LYS A 113 -13.408 -4.697 -6.025 1.00 14.22 H new ATOM 0 HB2 LYS A 113 -10.784 -3.609 -6.261 1.00 23.32 H new ATOM 0 HB3 LYS A 113 -10.577 -5.319 -5.941 1.00 23.32 H new ATOM 0 HG2 LYS A 113 -10.795 -5.494 -8.196 1.00 31.14 H new ATOM 0 HG3 LYS A 113 -12.509 -5.479 -7.829 1.00 31.14 H new ATOM 0 HD2 LYS A 113 -11.183 -2.812 -8.132 1.00 63.14 H new ATOM 0 HD3 LYS A 113 -11.353 -3.772 -9.589 1.00 63.14 H new ATOM 0 HE2 LYS A 113 -13.809 -4.040 -9.064 1.00 5.55 H new ATOM 0 HE3 LYS A 113 -13.599 -2.964 -7.698 1.00 5.55 H new ATOM 0 HZ1 LYS A 113 -14.410 -1.778 -9.631 1.00 63.23 H new ATOM 0 HZ2 LYS A 113 -12.860 -1.222 -9.218 1.00 63.23 H new ATOM 0 HZ3 LYS A 113 -13.063 -2.265 -10.543 1.00 63.23 H new ATOM 1700 N GLY A 114 -12.117 -6.892 -4.890 1.00 40.52 N ATOM 1701 CA GLY A 114 -12.014 -8.046 -4.015 1.00 41.43 C ATOM 1702 C GLY A 114 -13.043 -8.022 -2.902 1.00 44.52 C ATOM 1703 O GLY A 114 -14.220 -7.748 -3.139 1.00 21.04 O ATOM 0 H GLY A 114 -11.926 -7.081 -5.874 1.00 40.52 H new ATOM 0 HA2 GLY A 114 -12.139 -8.956 -4.602 1.00 41.43 H new ATOM 0 HA3 GLY A 114 -11.015 -8.081 -3.581 1.00 41.43 H new ATOM 1707 N THR A 115 -12.599 -8.312 -1.683 1.00 41.41 N ATOM 1708 CA THR A 115 -13.489 -8.326 -0.529 1.00 12.33 C ATOM 1709 C THR A 115 -12.708 -8.520 0.765 1.00 31.23 C ATOM 1710 O THR A 115 -11.637 -9.128 0.771 1.00 43.45 O ATOM 1711 CB THR A 115 -14.546 -9.440 -0.649 1.00 33.01 C ATOM 1712 OG1 THR A 115 -15.419 -9.410 0.487 1.00 64.34 O ATOM 1713 CG2 THR A 115 -13.884 -10.805 -0.751 1.00 32.33 C ATOM 0 H THR A 115 -11.628 -8.540 -1.470 1.00 41.41 H new ATOM 0 HA THR A 115 -13.991 -7.359 -0.505 1.00 12.33 H new ATOM 0 HB THR A 115 -15.125 -9.267 -1.556 1.00 33.01 H new ATOM 0 HG1 THR A 115 -16.089 -10.120 0.403 1.00 64.34 H new ATOM 0 HG21 THR A 115 -14.650 -11.576 -0.835 1.00 32.33 H new ATOM 0 HG22 THR A 115 -13.243 -10.833 -1.632 1.00 32.33 H new ATOM 0 HG23 THR A 115 -13.284 -10.986 0.141 1.00 32.33 H new ATOM 1721 N ILE A 116 -13.250 -8.001 1.862 1.00 72.43 N ATOM 1722 CA ILE A 116 -12.604 -8.120 3.164 1.00 51.45 C ATOM 1723 C ILE A 116 -12.529 -9.576 3.610 1.00 33.11 C ATOM 1724 O ILE A 116 -11.625 -9.964 4.349 1.00 71.13 O ATOM 1725 CB ILE A 116 -13.346 -7.303 4.237 1.00 53.42 C ATOM 1726 CG1 ILE A 116 -12.394 -6.929 5.375 1.00 72.25 C ATOM 1727 CG2 ILE A 116 -14.536 -8.087 4.771 1.00 72.01 C ATOM 1728 CD1 ILE A 116 -13.033 -6.065 6.439 1.00 31.23 C ATOM 0 H ILE A 116 -14.135 -7.494 1.875 1.00 72.43 H new ATOM 0 HA ILE A 116 -11.594 -7.725 3.052 1.00 51.45 H new ATOM 0 HB ILE A 116 -13.715 -6.384 3.781 1.00 53.42 H new ATOM 0 HG12 ILE A 116 -12.018 -7.841 5.837 1.00 72.25 H new ATOM 0 HG13 ILE A 116 -11.534 -6.404 4.960 1.00 72.25 H new ATOM 0 HG21 ILE A 116 -15.050 -7.496 5.529 1.00 72.01 H new ATOM 0 HG22 ILE A 116 -15.223 -8.307 3.954 1.00 72.01 H new ATOM 0 HG23 ILE A 116 -14.188 -9.020 5.213 1.00 72.01 H new ATOM 0 HD11 ILE A 116 -12.300 -5.839 7.213 1.00 31.23 H new ATOM 0 HD12 ILE A 116 -13.385 -5.136 5.990 1.00 31.23 H new ATOM 0 HD13 ILE A 116 -13.876 -6.596 6.881 1.00 31.23 H new ATOM 1740 N ALA A 117 -13.486 -10.378 3.154 1.00 60.21 N ATOM 1741 CA ALA A 117 -13.527 -11.793 3.503 1.00 70.31 C ATOM 1742 C ALA A 117 -12.266 -12.511 3.034 1.00 24.12 C ATOM 1743 O ALA A 117 -11.994 -13.639 3.444 1.00 42.33 O ATOM 1744 CB ALA A 117 -14.762 -12.448 2.905 1.00 35.11 C ATOM 0 H ALA A 117 -14.243 -10.072 2.542 1.00 60.21 H new ATOM 0 HA ALA A 117 -13.576 -11.873 4.589 1.00 70.31 H new ATOM 0 HB1 ALA A 117 -14.780 -13.504 3.174 1.00 35.11 H new ATOM 0 HB2 ALA A 117 -15.656 -11.960 3.292 1.00 35.11 H new ATOM 0 HB3 ALA A 117 -14.736 -12.350 1.820 1.00 35.11 H new ATOM 1750 N ALA A 118 -11.500 -11.849 2.173 1.00 1.23 N ATOM 1751 CA ALA A 118 -10.266 -12.424 1.650 1.00 53.24 C ATOM 1752 C ALA A 118 -9.054 -11.920 2.425 1.00 44.44 C ATOM 1753 O ALA A 118 -7.915 -12.274 2.115 1.00 14.43 O ATOM 1754 CB ALA A 118 -10.121 -12.104 0.170 1.00 13.51 C ATOM 0 H ALA A 118 -11.712 -10.915 1.823 1.00 1.23 H new ATOM 0 HA ALA A 118 -10.317 -13.506 1.773 1.00 53.24 H new ATOM 0 HB1 ALA A 118 -9.196 -12.539 -0.207 1.00 13.51 H new ATOM 0 HB2 ALA A 118 -10.967 -12.520 -0.377 1.00 13.51 H new ATOM 0 HB3 ALA A 118 -10.096 -11.023 0.032 1.00 13.51 H new ATOM 1760 N LEU A 119 -9.304 -11.090 3.431 1.00 1.44 N ATOM 1761 CA LEU A 119 -8.232 -10.535 4.251 1.00 64.33 C ATOM 1762 C LEU A 119 -8.342 -11.020 5.692 1.00 1.40 C ATOM 1763 O LEU A 119 -7.527 -10.662 6.542 1.00 45.54 O ATOM 1764 CB LEU A 119 -8.270 -9.007 4.209 1.00 52.20 C ATOM 1765 CG LEU A 119 -8.599 -8.380 2.854 1.00 15.02 C ATOM 1766 CD1 LEU A 119 -9.084 -6.949 3.032 1.00 41.13 C ATOM 1767 CD2 LEU A 119 -7.386 -8.424 1.937 1.00 74.11 C ATOM 0 H LEU A 119 -10.240 -10.786 3.699 1.00 1.44 H new ATOM 0 HA LEU A 119 -7.281 -10.879 3.844 1.00 64.33 H new ATOM 0 HB2 LEU A 119 -9.006 -8.662 4.935 1.00 52.20 H new ATOM 0 HB3 LEU A 119 -7.300 -8.630 4.535 1.00 52.20 H new ATOM 0 HG LEU A 119 -9.399 -8.958 2.392 1.00 15.02 H new ATOM 0 HD11 LEU A 119 -9.313 -6.519 2.057 1.00 41.13 H new ATOM 0 HD12 LEU A 119 -9.981 -6.943 3.651 1.00 41.13 H new ATOM 0 HD13 LEU A 119 -8.306 -6.358 3.515 1.00 41.13 H new ATOM 0 HD21 LEU A 119 -7.639 -7.973 0.977 1.00 74.11 H new ATOM 0 HD22 LEU A 119 -6.565 -7.870 2.393 1.00 74.11 H new ATOM 0 HD23 LEU A 119 -7.084 -9.460 1.783 1.00 74.11 H new ATOM 1779 N ALA A 120 -9.354 -11.837 5.961 1.00 15.45 N ATOM 1780 CA ALA A 120 -9.569 -12.374 7.299 1.00 11.21 C ATOM 1781 C ALA A 120 -8.291 -12.994 7.853 1.00 62.11 C ATOM 1782 O ALA A 120 -7.760 -12.570 8.880 1.00 35.25 O ATOM 1783 CB ALA A 120 -10.691 -13.401 7.282 1.00 51.24 C ATOM 0 H ALA A 120 -10.039 -12.142 5.269 1.00 15.45 H new ATOM 0 HA ALA A 120 -9.856 -11.550 7.952 1.00 11.21 H new ATOM 0 HB1 ALA A 120 -10.840 -13.793 8.288 1.00 51.24 H new ATOM 0 HB2 ALA A 120 -11.611 -12.929 6.936 1.00 51.24 H new ATOM 0 HB3 ALA A 120 -10.427 -14.217 6.610 1.00 51.24 H new ATOM 1789 N PRO A 121 -7.782 -14.023 7.159 1.00 0.32 N ATOM 1790 CA PRO A 121 -6.559 -14.723 7.563 1.00 21.32 C ATOM 1791 C PRO A 121 -5.313 -13.862 7.388 1.00 24.15 C ATOM 1792 O PRO A 121 -4.443 -13.829 8.258 1.00 21.14 O ATOM 1793 CB PRO A 121 -6.513 -15.929 6.621 1.00 43.53 C ATOM 1794 CG PRO A 121 -7.284 -15.500 5.420 1.00 21.11 C ATOM 1795 CD PRO A 121 -8.361 -14.582 5.925 1.00 10.41 C ATOM 0 HA PRO A 121 -6.573 -14.990 8.620 1.00 21.32 H new ATOM 0 HB2 PRO A 121 -5.487 -16.189 6.361 1.00 43.53 H new ATOM 0 HB3 PRO A 121 -6.958 -16.810 7.083 1.00 43.53 H new ATOM 0 HG2 PRO A 121 -6.640 -14.989 4.705 1.00 21.11 H new ATOM 0 HG3 PRO A 121 -7.714 -16.359 4.905 1.00 21.11 H new ATOM 0 HD2 PRO A 121 -8.595 -13.801 5.201 1.00 10.41 H new ATOM 0 HD3 PRO A 121 -9.287 -15.121 6.124 1.00 10.41 H new ATOM 1803 N TYR A 122 -5.234 -13.167 6.260 1.00 43.12 N ATOM 1804 CA TYR A 122 -4.093 -12.306 5.970 1.00 31.10 C ATOM 1805 C TYR A 122 -4.239 -10.955 6.663 1.00 32.01 C ATOM 1806 O TYR A 122 -4.023 -9.907 6.056 1.00 71.30 O ATOM 1807 CB TYR A 122 -3.950 -12.105 4.460 1.00 4.25 C ATOM 1808 CG TYR A 122 -4.186 -13.363 3.657 1.00 75.34 C ATOM 1809 CD1 TYR A 122 -3.145 -14.239 3.377 1.00 40.42 C ATOM 1810 CD2 TYR A 122 -5.452 -13.676 3.176 1.00 51.12 C ATOM 1811 CE1 TYR A 122 -3.357 -15.389 2.642 1.00 34.00 C ATOM 1812 CE2 TYR A 122 -5.674 -14.825 2.442 1.00 51.24 C ATOM 1813 CZ TYR A 122 -4.623 -15.678 2.177 1.00 63.44 C ATOM 1814 OH TYR A 122 -4.839 -16.823 1.444 1.00 34.03 O ATOM 0 H TYR A 122 -5.947 -13.182 5.530 1.00 43.12 H new ATOM 0 HA TYR A 122 -3.196 -12.794 6.352 1.00 31.10 H new ATOM 0 HB2 TYR A 122 -4.655 -11.339 4.136 1.00 4.25 H new ATOM 0 HB3 TYR A 122 -2.950 -11.729 4.245 1.00 4.25 H new ATOM 0 HD1 TYR A 122 -2.152 -14.017 3.740 1.00 40.42 H new ATOM 0 HD2 TYR A 122 -6.277 -13.009 3.380 1.00 51.12 H new ATOM 0 HE1 TYR A 122 -2.536 -16.058 2.432 1.00 34.00 H new ATOM 0 HE2 TYR A 122 -6.665 -15.054 2.078 1.00 51.24 H new ATOM 0 HH TYR A 122 -4.043 -17.024 0.910 1.00 34.03 H new ATOM 1824 N ALA A 123 -4.609 -10.989 7.940 1.00 71.05 N ATOM 1825 CA ALA A 123 -4.782 -9.769 8.718 1.00 70.22 C ATOM 1826 C ALA A 123 -3.483 -9.369 9.409 1.00 21.41 C ATOM 1827 O ALA A 123 -3.315 -8.221 9.817 1.00 53.13 O ATOM 1828 CB ALA A 123 -5.893 -9.948 9.741 1.00 34.43 C ATOM 0 H ALA A 123 -4.794 -11.849 8.457 1.00 71.05 H new ATOM 0 HA ALA A 123 -5.060 -8.968 8.033 1.00 70.22 H new ATOM 0 HB1 ALA A 123 -6.011 -9.029 10.315 1.00 34.43 H new ATOM 0 HB2 ALA A 123 -6.827 -10.178 9.228 1.00 34.43 H new ATOM 0 HB3 ALA A 123 -5.639 -10.766 10.415 1.00 34.43 H new ATOM 1834 N GLN A 124 -2.568 -10.325 9.537 1.00 62.12 N ATOM 1835 CA GLN A 124 -1.284 -10.071 10.180 1.00 21.42 C ATOM 1836 C GLN A 124 -0.212 -9.746 9.146 1.00 43.30 C ATOM 1837 O GLN A 124 0.649 -8.897 9.377 1.00 41.03 O ATOM 1838 CB GLN A 124 -0.858 -11.284 11.010 1.00 40.40 C ATOM 1839 CG GLN A 124 -1.317 -11.222 12.458 1.00 44.51 C ATOM 1840 CD GLN A 124 -2.010 -12.493 12.905 1.00 22.34 C ATOM 1841 OE1 GLN A 124 -1.548 -13.176 13.819 1.00 22.54 O ATOM 1842 NE2 GLN A 124 -3.126 -12.817 12.263 1.00 24.32 N ATOM 0 H GLN A 124 -2.692 -11.281 9.204 1.00 62.12 H new ATOM 0 HA GLN A 124 -1.399 -9.210 10.839 1.00 21.42 H new ATOM 0 HB2 GLN A 124 -1.258 -12.187 10.549 1.00 40.40 H new ATOM 0 HB3 GLN A 124 0.229 -11.367 10.985 1.00 40.40 H new ATOM 0 HG2 GLN A 124 -0.456 -11.037 13.100 1.00 44.51 H new ATOM 0 HG3 GLN A 124 -1.996 -10.379 12.584 1.00 44.51 H new ATOM 0 HE21 GLN A 124 -3.473 -12.222 11.511 1.00 24.32 H new ATOM 0 HE22 GLN A 124 -3.636 -13.661 12.522 1.00 24.32 H new ATOM 1851 N ALA A 125 -0.270 -10.426 8.006 1.00 71.03 N ATOM 1852 CA ALA A 125 0.695 -10.207 6.936 1.00 1.30 C ATOM 1853 C ALA A 125 0.869 -8.720 6.649 1.00 71.24 C ATOM 1854 O ALA A 125 1.908 -8.292 6.146 1.00 34.21 O ATOM 1855 CB ALA A 125 0.263 -10.943 5.676 1.00 30.14 C ATOM 0 H ALA A 125 -0.975 -11.133 7.800 1.00 71.03 H new ATOM 0 HA ALA A 125 1.657 -10.602 7.262 1.00 1.30 H new ATOM 0 HB1 ALA A 125 0.993 -10.770 4.885 1.00 30.14 H new ATOM 0 HB2 ALA A 125 0.198 -12.011 5.883 1.00 30.14 H new ATOM 0 HB3 ALA A 125 -0.712 -10.575 5.356 1.00 30.14 H new ATOM 1861 N ALA A 126 -0.155 -7.936 6.970 1.00 75.52 N ATOM 1862 CA ALA A 126 -0.114 -6.497 6.747 1.00 54.34 C ATOM 1863 C ALA A 126 1.004 -5.847 7.555 1.00 14.21 C ATOM 1864 O ALA A 126 1.645 -4.902 7.096 1.00 73.14 O ATOM 1865 CB ALA A 126 -1.456 -5.870 7.100 1.00 42.35 C ATOM 0 H ALA A 126 -1.023 -8.274 7.385 1.00 75.52 H new ATOM 0 HA ALA A 126 0.090 -6.324 5.690 1.00 54.34 H new ATOM 0 HB1 ALA A 126 -1.411 -4.794 6.929 1.00 42.35 H new ATOM 0 HB2 ALA A 126 -2.236 -6.305 6.475 1.00 42.35 H new ATOM 0 HB3 ALA A 126 -1.682 -6.061 8.149 1.00 42.35 H new ATOM 1871 N GLN A 127 1.231 -6.360 8.760 1.00 41.31 N ATOM 1872 CA GLN A 127 2.272 -5.828 9.632 1.00 60.12 C ATOM 1873 C GLN A 127 3.622 -5.816 8.924 1.00 61.23 C ATOM 1874 O GLN A 127 4.511 -5.042 9.275 1.00 14.43 O ATOM 1875 CB GLN A 127 2.362 -6.655 10.916 1.00 2.31 C ATOM 1876 CG GLN A 127 1.225 -6.393 11.889 1.00 10.13 C ATOM 1877 CD GLN A 127 1.322 -7.241 13.142 1.00 20.11 C ATOM 1878 OE1 GLN A 127 1.500 -8.457 13.071 1.00 52.12 O ATOM 1879 NE2 GLN A 127 1.207 -6.601 14.300 1.00 72.01 N ATOM 0 H GLN A 127 0.709 -7.142 9.154 1.00 41.31 H new ATOM 0 HA GLN A 127 2.008 -4.802 9.887 1.00 60.12 H new ATOM 0 HB2 GLN A 127 2.370 -7.714 10.657 1.00 2.31 H new ATOM 0 HB3 GLN A 127 3.309 -6.441 11.411 1.00 2.31 H new ATOM 0 HG2 GLN A 127 1.226 -5.339 12.167 1.00 10.13 H new ATOM 0 HG3 GLN A 127 0.275 -6.591 11.393 1.00 10.13 H new ATOM 0 HE21 GLN A 127 1.060 -5.592 14.312 1.00 72.01 H new ATOM 0 HE22 GLN A 127 1.266 -7.119 15.177 1.00 72.01 H new ATOM 1888 N GLU A 128 3.769 -6.682 7.925 1.00 34.35 N ATOM 1889 CA GLU A 128 5.013 -6.771 7.169 1.00 73.32 C ATOM 1890 C GLU A 128 5.050 -5.726 6.058 1.00 61.23 C ATOM 1891 O GLU A 128 5.953 -4.890 6.007 1.00 60.23 O ATOM 1892 CB GLU A 128 5.172 -8.171 6.572 1.00 22.33 C ATOM 1893 CG GLU A 128 5.257 -9.272 7.617 1.00 22.21 C ATOM 1894 CD GLU A 128 6.522 -9.191 8.449 1.00 62.11 C ATOM 1895 OE1 GLU A 128 7.586 -8.858 7.883 1.00 75.41 O ATOM 1896 OE2 GLU A 128 6.450 -9.460 9.667 1.00 42.35 O ATOM 0 H GLU A 128 3.043 -7.331 7.621 1.00 34.35 H new ATOM 0 HA GLU A 128 5.839 -6.578 7.853 1.00 73.32 H new ATOM 0 HB2 GLU A 128 4.329 -8.373 5.911 1.00 22.33 H new ATOM 0 HB3 GLU A 128 6.072 -8.195 5.957 1.00 22.33 H new ATOM 0 HG2 GLU A 128 4.390 -9.211 8.275 1.00 22.21 H new ATOM 0 HG3 GLU A 128 5.214 -10.242 7.122 1.00 22.21 H new ATOM 1903 N LEU A 129 4.063 -5.779 5.170 1.00 64.53 N ATOM 1904 CA LEU A 129 3.983 -4.839 4.059 1.00 52.24 C ATOM 1905 C LEU A 129 4.366 -3.432 4.507 1.00 52.12 C ATOM 1906 O LEU A 129 5.231 -2.792 3.909 1.00 72.00 O ATOM 1907 CB LEU A 129 2.570 -4.832 3.472 1.00 63.03 C ATOM 1908 CG LEU A 129 2.374 -5.633 2.184 1.00 23.51 C ATOM 1909 CD1 LEU A 129 1.078 -6.425 2.240 1.00 34.33 C ATOM 1910 CD2 LEU A 129 2.386 -4.710 0.975 1.00 50.43 C ATOM 0 H LEU A 129 3.307 -6.463 5.198 1.00 64.53 H new ATOM 0 HA LEU A 129 4.687 -5.161 3.292 1.00 52.24 H new ATOM 0 HB2 LEU A 129 1.883 -5.219 4.225 1.00 63.03 H new ATOM 0 HB3 LEU A 129 2.283 -3.798 3.280 1.00 63.03 H new ATOM 0 HG LEU A 129 3.201 -6.336 2.087 1.00 23.51 H new ATOM 0 HD11 LEU A 129 0.956 -6.989 1.315 1.00 34.33 H new ATOM 0 HD12 LEU A 129 1.109 -7.115 3.084 1.00 34.33 H new ATOM 0 HD13 LEU A 129 0.238 -5.741 2.362 1.00 34.33 H new ATOM 0 HD21 LEU A 129 2.245 -5.297 0.068 1.00 50.43 H new ATOM 0 HD22 LEU A 129 1.580 -3.982 1.065 1.00 50.43 H new ATOM 0 HD23 LEU A 129 3.342 -4.188 0.925 1.00 50.43 H new ATOM 1922 N VAL A 130 3.716 -2.957 5.566 1.00 45.24 N ATOM 1923 CA VAL A 130 3.991 -1.627 6.097 1.00 11.25 C ATOM 1924 C VAL A 130 5.454 -1.489 6.504 1.00 22.42 C ATOM 1925 O VAL A 130 6.174 -0.630 5.994 1.00 1.14 O ATOM 1926 CB VAL A 130 3.101 -1.314 7.314 1.00 54.44 C ATOM 1927 CG1 VAL A 130 3.322 0.114 7.786 1.00 44.41 C ATOM 1928 CG2 VAL A 130 1.636 -1.551 6.976 1.00 15.54 C ATOM 0 H VAL A 130 2.996 -3.473 6.072 1.00 45.24 H new ATOM 0 HA VAL A 130 3.769 -0.917 5.301 1.00 11.25 H new ATOM 0 HB VAL A 130 3.378 -1.986 8.126 1.00 54.44 H new ATOM 0 HG11 VAL A 130 2.684 0.316 8.647 1.00 44.41 H new ATOM 0 HG12 VAL A 130 4.366 0.246 8.069 1.00 44.41 H new ATOM 0 HG13 VAL A 130 3.074 0.806 6.981 1.00 44.41 H new ATOM 0 HG21 VAL A 130 1.021 -1.325 7.847 1.00 15.54 H new ATOM 0 HG22 VAL A 130 1.344 -0.905 6.148 1.00 15.54 H new ATOM 0 HG23 VAL A 130 1.492 -2.593 6.691 1.00 15.54 H new ATOM 1938 N LYS A 131 5.889 -2.342 7.425 1.00 50.42 N ATOM 1939 CA LYS A 131 7.267 -2.318 7.901 1.00 64.13 C ATOM 1940 C LYS A 131 8.227 -1.959 6.770 1.00 33.33 C ATOM 1941 O LYS A 131 8.970 -0.982 6.861 1.00 61.10 O ATOM 1942 CB LYS A 131 7.647 -3.676 8.494 1.00 64.10 C ATOM 1943 CG LYS A 131 8.170 -3.593 9.917 1.00 25.34 C ATOM 1944 CD LYS A 131 7.091 -3.942 10.929 1.00 34.42 C ATOM 1945 CE LYS A 131 7.647 -4.780 12.071 1.00 72.41 C ATOM 1946 NZ LYS A 131 7.352 -4.174 13.398 1.00 52.42 N ATOM 0 H LYS A 131 5.307 -3.059 7.857 1.00 50.42 H new ATOM 0 HA LYS A 131 7.344 -1.555 8.676 1.00 64.13 H new ATOM 0 HB2 LYS A 131 6.774 -4.329 8.474 1.00 64.10 H new ATOM 0 HB3 LYS A 131 8.406 -4.139 7.863 1.00 64.10 H new ATOM 0 HG2 LYS A 131 9.014 -4.272 10.035 1.00 25.34 H new ATOM 0 HG3 LYS A 131 8.541 -2.586 10.111 1.00 25.34 H new ATOM 0 HD2 LYS A 131 6.655 -3.026 11.327 1.00 34.42 H new ATOM 0 HD3 LYS A 131 6.288 -4.488 10.433 1.00 34.42 H new ATOM 0 HE2 LYS A 131 7.221 -5.782 12.027 1.00 72.41 H new ATOM 0 HE3 LYS A 131 8.725 -4.886 11.952 1.00 72.41 H new ATOM 0 HZ1 LYS A 131 7.747 -4.775 14.149 1.00 52.42 H new ATOM 0 HZ2 LYS A 131 7.780 -3.228 13.450 1.00 52.42 H new ATOM 0 HZ3 LYS A 131 6.322 -4.096 13.523 1.00 52.42 H new ATOM 1960 N VAL A 132 8.204 -2.754 5.705 1.00 35.13 N ATOM 1961 CA VAL A 132 9.070 -2.518 4.557 1.00 72.22 C ATOM 1962 C VAL A 132 8.737 -1.193 3.880 1.00 10.55 C ATOM 1963 O VAL A 132 9.629 -0.413 3.547 1.00 25.41 O ATOM 1964 CB VAL A 132 8.951 -3.653 3.522 1.00 63.41 C ATOM 1965 CG1 VAL A 132 9.818 -3.361 2.307 1.00 32.41 C ATOM 1966 CG2 VAL A 132 9.330 -4.987 4.149 1.00 11.42 C ATOM 0 H VAL A 132 7.595 -3.567 5.614 1.00 35.13 H new ATOM 0 HA VAL A 132 10.092 -2.484 4.934 1.00 72.22 H new ATOM 0 HB VAL A 132 7.914 -3.713 3.192 1.00 63.41 H new ATOM 0 HG11 VAL A 132 9.721 -4.174 1.587 1.00 32.41 H new ATOM 0 HG12 VAL A 132 9.496 -2.427 1.846 1.00 32.41 H new ATOM 0 HG13 VAL A 132 10.860 -3.273 2.616 1.00 32.41 H new ATOM 0 HG21 VAL A 132 9.240 -5.778 3.404 1.00 11.42 H new ATOM 0 HG22 VAL A 132 10.358 -4.941 4.508 1.00 11.42 H new ATOM 0 HG23 VAL A 132 8.663 -5.199 4.985 1.00 11.42 H new ATOM 1976 N ALA A 133 7.447 -0.943 3.682 1.00 31.51 N ATOM 1977 CA ALA A 133 6.996 0.289 3.048 1.00 20.31 C ATOM 1978 C ALA A 133 7.796 1.487 3.546 1.00 35.15 C ATOM 1979 O ALA A 133 8.097 2.405 2.783 1.00 45.30 O ATOM 1980 CB ALA A 133 5.511 0.501 3.304 1.00 74.22 C ATOM 0 H ALA A 133 6.696 -1.578 3.952 1.00 31.51 H new ATOM 0 HA ALA A 133 7.159 0.197 1.974 1.00 20.31 H new ATOM 0 HB1 ALA A 133 5.187 1.425 2.825 1.00 74.22 H new ATOM 0 HB2 ALA A 133 4.948 -0.337 2.894 1.00 74.22 H new ATOM 0 HB3 ALA A 133 5.333 0.567 4.377 1.00 74.22 H new ATOM 1986 N ARG A 134 8.136 1.473 4.832 1.00 52.45 N ATOM 1987 CA ARG A 134 8.900 2.560 5.432 1.00 34.00 C ATOM 1988 C ARG A 134 10.351 2.529 4.962 1.00 21.34 C ATOM 1989 O ARG A 134 10.919 3.558 4.603 1.00 54.24 O ATOM 1990 CB ARG A 134 8.843 2.469 6.958 1.00 63.02 C ATOM 1991 CG ARG A 134 7.431 2.518 7.519 1.00 3.33 C ATOM 1992 CD ARG A 134 7.342 1.816 8.865 1.00 65.11 C ATOM 1993 NE ARG A 134 8.172 2.464 9.877 1.00 11.11 N ATOM 1994 CZ ARG A 134 8.593 1.858 10.981 1.00 52.30 C ATOM 1995 NH1 ARG A 134 8.265 0.594 11.214 1.00 12.10 N ATOM 1996 NH2 ARG A 134 9.344 2.515 11.855 1.00 0.22 N ATOM 0 H ARG A 134 7.894 0.721 5.477 1.00 52.45 H new ATOM 0 HA ARG A 134 8.455 3.503 5.115 1.00 34.00 H new ATOM 0 HB2 ARG A 134 9.319 1.542 7.276 1.00 63.02 H new ATOM 0 HB3 ARG A 134 9.423 3.288 7.384 1.00 63.02 H new ATOM 0 HG2 ARG A 134 7.117 3.556 7.627 1.00 3.33 H new ATOM 0 HG3 ARG A 134 6.743 2.049 6.816 1.00 3.33 H new ATOM 0 HD2 ARG A 134 6.305 1.805 9.200 1.00 65.11 H new ATOM 0 HD3 ARG A 134 7.652 0.777 8.753 1.00 65.11 H new ATOM 0 HE ARG A 134 8.443 3.436 9.727 1.00 11.11 H new ATOM 0 HH11 ARG A 134 7.688 0.085 10.544 1.00 12.10 H new ATOM 0 HH12 ARG A 134 8.590 0.131 12.063 1.00 12.10 H new ATOM 0 HH21 ARG A 134 9.599 3.487 11.679 1.00 0.22 H new ATOM 0 HH22 ARG A 134 9.667 2.048 12.703 1.00 0.22 H new ATOM 2010 N GLU A 135 10.945 1.339 4.972 1.00 73.55 N ATOM 2011 CA GLU A 135 12.330 1.174 4.547 1.00 31.13 C ATOM 2012 C GLU A 135 12.599 1.940 3.256 1.00 13.53 C ATOM 2013 O GLU A 135 13.572 2.687 3.155 1.00 14.22 O ATOM 2014 CB GLU A 135 12.654 -0.309 4.351 1.00 11.21 C ATOM 2015 CG GLU A 135 12.755 -1.087 5.651 1.00 25.24 C ATOM 2016 CD GLU A 135 14.056 -1.857 5.771 1.00 32.22 C ATOM 2017 OE1 GLU A 135 15.080 -1.381 5.238 1.00 54.33 O ATOM 2018 OE2 GLU A 135 14.050 -2.937 6.399 1.00 70.24 O ATOM 0 H GLU A 135 10.489 0.476 5.269 1.00 73.55 H new ATOM 0 HA GLU A 135 12.973 1.579 5.329 1.00 31.13 H new ATOM 0 HB2 GLU A 135 11.884 -0.761 3.726 1.00 11.21 H new ATOM 0 HB3 GLU A 135 13.596 -0.398 3.810 1.00 11.21 H new ATOM 0 HG2 GLU A 135 12.667 -0.397 6.490 1.00 25.24 H new ATOM 0 HG3 GLU A 135 11.918 -1.782 5.720 1.00 25.24 H new ATOM 2025 N VAL A 136 11.729 1.749 2.269 1.00 31.44 N ATOM 2026 CA VAL A 136 11.872 2.421 0.983 1.00 44.21 C ATOM 2027 C VAL A 136 11.653 3.924 1.122 1.00 3.24 C ATOM 2028 O VAL A 136 12.488 4.724 0.699 1.00 13.13 O ATOM 2029 CB VAL A 136 10.879 1.864 -0.055 1.00 0.44 C ATOM 2030 CG1 VAL A 136 11.247 2.337 -1.453 1.00 13.31 C ATOM 2031 CG2 VAL A 136 10.840 0.344 0.009 1.00 10.35 C ATOM 0 H VAL A 136 10.918 1.134 2.336 1.00 31.44 H new ATOM 0 HA VAL A 136 12.889 2.234 0.639 1.00 44.21 H new ATOM 0 HB VAL A 136 9.884 2.241 0.180 1.00 0.44 H new ATOM 0 HG11 VAL A 136 10.535 1.934 -2.173 1.00 13.31 H new ATOM 0 HG12 VAL A 136 11.220 3.426 -1.487 1.00 13.31 H new ATOM 0 HG13 VAL A 136 12.250 1.991 -1.702 1.00 13.31 H new ATOM 0 HG21 VAL A 136 10.134 -0.033 -0.731 1.00 10.35 H new ATOM 0 HG22 VAL A 136 11.833 -0.055 -0.201 1.00 10.35 H new ATOM 0 HG23 VAL A 136 10.526 0.030 1.004 1.00 10.35 H new