USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=14 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 USER MOD Single : A 17 GLN : amide:sc= 0.00411 X(o=0.0041,f=-0.064) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.715 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.99! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -50:sc= 0.646 USER MOD Single : A 39 SER OG : rot 180:sc= 0 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 : no HE2:sc= -3.1! C(o=-3.1!,f=-3.7!) 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= -0.237 K(o=-0.24,f=-1.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -139:sc= -0.508 (180deg=-4.25!) 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 USER MOD Single : A 122 TYR OH : rot 180:sc=-0.00168 USER MOD Single : A 124 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.9) USER MOD Single : A 127 GLN : amide:sc=-0.00387 X(o=-0.0039,f=-0.11) USER MOD Single : A 131 LYS NZ :NH3+ 142:sc= 0.0282 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 4.076 9.035 -4.035 1.00 73.23 N ATOM 118 CA PHE A 11 3.532 8.007 -4.915 1.00 54.33 C ATOM 119 C PHE A 11 4.104 8.138 -6.323 1.00 73.35 C ATOM 120 O PHE A 11 3.622 8.931 -7.131 1.00 54.15 O ATOM 121 CB PHE A 11 2.005 8.102 -4.962 1.00 55.13 C ATOM 122 CG PHE A 11 1.338 7.675 -3.686 1.00 73.14 C ATOM 123 CD1 PHE A 11 1.685 8.259 -2.478 1.00 41.42 C ATOM 124 CD2 PHE A 11 0.363 6.690 -3.694 1.00 4.00 C ATOM 125 CE1 PHE A 11 1.073 7.868 -1.303 1.00 23.40 C ATOM 126 CE2 PHE A 11 -0.252 6.294 -2.521 1.00 11.40 C ATOM 127 CZ PHE A 11 0.102 6.885 -1.324 1.00 42.31 C ATOM 0 HA PHE A 11 3.817 7.034 -4.515 1.00 54.33 H new ATOM 0 HB2 PHE A 11 1.720 9.130 -5.185 1.00 55.13 H new ATOM 0 HB3 PHE A 11 1.636 7.484 -5.780 1.00 55.13 H new ATOM 0 HD1 PHE A 11 2.442 9.028 -2.455 1.00 41.42 H new ATOM 0 HD2 PHE A 11 0.080 6.226 -4.628 1.00 4.00 H new ATOM 0 HE1 PHE A 11 1.353 8.330 -0.368 1.00 23.40 H new ATOM 0 HE2 PHE A 11 -1.008 5.523 -2.541 1.00 11.40 H new ATOM 0 HZ PHE A 11 -0.379 6.580 -0.406 1.00 42.31 H new ATOM 137 N THR A 12 5.138 7.353 -6.610 1.00 43.34 N ATOM 138 CA THR A 12 5.779 7.380 -7.919 1.00 3.50 C ATOM 139 C THR A 12 6.211 5.984 -8.349 1.00 22.13 C ATOM 140 O THR A 12 6.552 5.146 -7.516 1.00 22.05 O ATOM 141 CB THR A 12 7.008 8.310 -7.923 1.00 33.53 C ATOM 142 OG1 THR A 12 7.842 8.024 -6.795 1.00 23.25 O ATOM 143 CG2 THR A 12 6.582 9.770 -7.888 1.00 24.03 C ATOM 0 H THR A 12 5.550 6.690 -5.953 1.00 43.34 H new ATOM 0 HA THR A 12 5.041 7.762 -8.625 1.00 3.50 H new ATOM 0 HB THR A 12 7.567 8.133 -8.842 1.00 33.53 H new ATOM 0 HG1 THR A 12 8.622 8.618 -6.806 1.00 23.25 H new ATOM 0 HG21 THR A 12 7.466 10.407 -7.891 1.00 24.03 H new ATOM 0 HG22 THR A 12 5.971 9.992 -8.763 1.00 24.03 H new ATOM 0 HG23 THR A 12 6.003 9.958 -6.984 1.00 24.03 H new ATOM 151 N GLU A 13 6.194 5.740 -9.656 1.00 12.41 N ATOM 152 CA GLU A 13 6.584 4.443 -10.196 1.00 23.15 C ATOM 153 C GLU A 13 7.850 3.929 -9.516 1.00 72.10 C ATOM 154 O GLU A 13 8.029 2.724 -9.345 1.00 10.51 O ATOM 155 CB GLU A 13 6.807 4.541 -11.706 1.00 45.13 C ATOM 156 CG GLU A 13 6.580 3.231 -12.442 1.00 25.04 C ATOM 157 CD GLU A 13 7.759 2.837 -13.310 1.00 60.31 C ATOM 158 OE1 GLU A 13 8.904 2.886 -12.815 1.00 22.14 O ATOM 159 OE2 GLU A 13 7.536 2.480 -14.485 1.00 61.34 O ATOM 0 H GLU A 13 5.914 6.423 -10.360 1.00 12.41 H new ATOM 0 HA GLU A 13 5.776 3.739 -10.000 1.00 23.15 H new ATOM 0 HB2 GLU A 13 6.138 5.298 -12.115 1.00 45.13 H new ATOM 0 HB3 GLU A 13 7.826 4.881 -11.893 1.00 45.13 H new ATOM 0 HG2 GLU A 13 6.387 2.440 -11.717 1.00 25.04 H new ATOM 0 HG3 GLU A 13 5.689 3.318 -13.064 1.00 25.04 H new ATOM 166 N ALA A 14 8.725 4.853 -9.132 1.00 53.10 N ATOM 167 CA ALA A 14 9.973 4.495 -8.469 1.00 61.34 C ATOM 168 C ALA A 14 9.713 3.933 -7.076 1.00 14.42 C ATOM 169 O ALA A 14 10.326 2.946 -6.670 1.00 32.01 O ATOM 170 CB ALA A 14 10.894 5.703 -8.391 1.00 43.23 C ATOM 0 H ALA A 14 8.592 5.855 -9.269 1.00 53.10 H new ATOM 0 HA ALA A 14 10.460 3.719 -9.059 1.00 61.34 H new ATOM 0 HB1 ALA A 14 11.822 5.421 -7.894 1.00 43.23 H new ATOM 0 HB2 ALA A 14 11.115 6.058 -9.398 1.00 43.23 H new ATOM 0 HB3 ALA A 14 10.406 6.497 -7.826 1.00 43.23 H new ATOM 176 N TRP A 15 8.803 4.569 -6.347 1.00 1.33 N ATOM 177 CA TRP A 15 8.463 4.134 -4.997 1.00 61.42 C ATOM 178 C TRP A 15 7.731 2.796 -5.026 1.00 5.35 C ATOM 179 O TRP A 15 8.170 1.825 -4.408 1.00 3.35 O ATOM 180 CB TRP A 15 7.600 5.186 -4.301 1.00 40.43 C ATOM 181 CG TRP A 15 7.334 4.877 -2.859 1.00 10.42 C ATOM 182 CD1 TRP A 15 8.165 5.117 -1.802 1.00 4.11 C ATOM 183 CD2 TRP A 15 6.156 4.270 -2.316 1.00 24.25 C ATOM 184 NE1 TRP A 15 7.577 4.694 -0.635 1.00 55.51 N ATOM 185 CE2 TRP A 15 6.343 4.172 -0.922 1.00 43.24 C ATOM 186 CE3 TRP A 15 4.962 3.801 -2.869 1.00 44.35 C ATOM 187 CZ2 TRP A 15 5.381 3.625 -0.080 1.00 34.31 C ATOM 188 CZ3 TRP A 15 4.008 3.257 -2.032 1.00 1.13 C ATOM 189 CH2 TRP A 15 4.220 3.173 -0.649 1.00 42.32 C ATOM 0 H TRP A 15 8.287 5.388 -6.668 1.00 1.33 H new ATOM 0 HA TRP A 15 9.390 4.009 -4.438 1.00 61.42 H new ATOM 0 HB2 TRP A 15 8.093 6.155 -4.372 1.00 40.43 H new ATOM 0 HB3 TRP A 15 6.650 5.272 -4.828 1.00 40.43 H new ATOM 0 HD1 TRP A 15 9.142 5.573 -1.873 1.00 4.11 H new ATOM 0 HE1 TRP A 15 7.992 4.758 0.295 1.00 55.51 H new ATOM 0 HE3 TRP A 15 4.788 3.863 -3.933 1.00 44.35 H new ATOM 0 HZ2 TRP A 15 5.544 3.559 0.986 1.00 34.31 H new ATOM 0 HZ3 TRP A 15 3.082 2.890 -2.450 1.00 1.13 H new ATOM 0 HH2 TRP A 15 3.454 2.744 -0.020 1.00 42.32 H new ATOM 200 N ALA A 16 6.616 2.752 -5.746 1.00 20.43 N ATOM 201 CA ALA A 16 5.826 1.531 -5.855 1.00 52.53 C ATOM 202 C ALA A 16 6.699 0.344 -6.244 1.00 2.11 C ATOM 203 O ALA A 16 6.545 -0.752 -5.708 1.00 64.43 O ATOM 204 CB ALA A 16 4.704 1.719 -6.867 1.00 22.12 C ATOM 0 H ALA A 16 6.239 3.547 -6.262 1.00 20.43 H new ATOM 0 HA ALA A 16 5.390 1.321 -4.878 1.00 52.53 H new ATOM 0 HB1 ALA A 16 4.122 0.801 -6.939 1.00 22.12 H new ATOM 0 HB2 ALA A 16 4.057 2.535 -6.545 1.00 22.12 H new ATOM 0 HB3 ALA A 16 5.129 1.956 -7.842 1.00 22.12 H new ATOM 210 N GLN A 17 7.615 0.571 -7.180 1.00 2.44 N ATOM 211 CA GLN A 17 8.513 -0.481 -7.641 1.00 31.12 C ATOM 212 C GLN A 17 9.593 -0.770 -6.604 1.00 2.42 C ATOM 213 O GLN A 17 9.770 -1.910 -6.177 1.00 35.42 O ATOM 214 CB GLN A 17 9.159 -0.084 -8.970 1.00 73.51 C ATOM 215 CG GLN A 17 8.215 -0.183 -10.158 1.00 41.01 C ATOM 216 CD GLN A 17 8.862 -0.835 -11.364 1.00 1.23 C ATOM 217 OE1 GLN A 17 9.997 -0.517 -11.722 1.00 34.25 O ATOM 218 NE2 GLN A 17 8.142 -1.752 -11.999 1.00 61.33 N ATOM 0 H GLN A 17 7.755 1.474 -7.634 1.00 2.44 H new ATOM 0 HA GLN A 17 7.924 -1.387 -7.787 1.00 31.12 H new ATOM 0 HB2 GLN A 17 9.528 0.939 -8.894 1.00 73.51 H new ATOM 0 HB3 GLN A 17 10.024 -0.723 -9.149 1.00 73.51 H new ATOM 0 HG2 GLN A 17 7.333 -0.755 -9.870 1.00 41.01 H new ATOM 0 HG3 GLN A 17 7.873 0.816 -10.429 1.00 41.01 H new ATOM 0 HE21 GLN A 17 7.206 -1.985 -11.668 1.00 61.33 H new ATOM 0 HE22 GLN A 17 8.525 -2.224 -12.818 1.00 61.33 H new ATOM 227 N ALA A 18 10.313 0.273 -6.202 1.00 64.35 N ATOM 228 CA ALA A 18 11.376 0.132 -5.214 1.00 33.44 C ATOM 229 C ALA A 18 10.865 -0.563 -3.955 1.00 64.43 C ATOM 230 O ALA A 18 11.626 -1.224 -3.247 1.00 42.11 O ATOM 231 CB ALA A 18 11.958 1.494 -4.867 1.00 4.22 C ATOM 0 H ALA A 18 10.179 1.224 -6.545 1.00 64.35 H new ATOM 0 HA ALA A 18 12.162 -0.487 -5.647 1.00 33.44 H new ATOM 0 HB1 ALA A 18 12.750 1.374 -4.128 1.00 4.22 H new ATOM 0 HB2 ALA A 18 12.367 1.955 -5.766 1.00 4.22 H new ATOM 0 HB3 ALA A 18 11.174 2.131 -4.457 1.00 4.22 H new ATOM 237 N TYR A 19 9.574 -0.410 -3.683 1.00 60.03 N ATOM 238 CA TYR A 19 8.964 -1.021 -2.508 1.00 52.51 C ATOM 239 C TYR A 19 8.566 -2.467 -2.790 1.00 42.31 C ATOM 240 O TYR A 19 8.483 -3.289 -1.877 1.00 71.24 O ATOM 241 CB TYR A 19 7.737 -0.219 -2.071 1.00 11.44 C ATOM 242 CG TYR A 19 6.854 -0.951 -1.085 1.00 64.50 C ATOM 243 CD1 TYR A 19 7.365 -1.422 0.118 1.00 4.22 C ATOM 244 CD2 TYR A 19 5.510 -1.171 -1.356 1.00 75.33 C ATOM 245 CE1 TYR A 19 6.564 -2.092 1.022 1.00 72.43 C ATOM 246 CE2 TYR A 19 4.700 -1.840 -0.458 1.00 41.31 C ATOM 247 CZ TYR A 19 5.232 -2.299 0.729 1.00 40.42 C ATOM 248 OH TYR A 19 4.429 -2.965 1.627 1.00 51.11 O ATOM 0 H TYR A 19 8.930 0.131 -4.260 1.00 60.03 H new ATOM 0 HA TYR A 19 9.700 -1.016 -1.704 1.00 52.51 H new ATOM 0 HB2 TYR A 19 8.067 0.719 -1.624 1.00 11.44 H new ATOM 0 HB3 TYR A 19 7.149 0.038 -2.952 1.00 11.44 H new ATOM 0 HD1 TYR A 19 8.407 -1.261 0.351 1.00 4.22 H new ATOM 0 HD2 TYR A 19 5.090 -0.813 -2.285 1.00 75.33 H new ATOM 0 HE1 TYR A 19 6.978 -2.452 1.952 1.00 72.43 H new ATOM 0 HE2 TYR A 19 3.657 -2.002 -0.684 1.00 41.31 H new ATOM 0 HH TYR A 19 3.519 -3.026 1.269 1.00 51.11 H new ATOM 258 N CYS A 20 8.324 -2.769 -4.060 1.00 61.11 N ATOM 259 CA CYS A 20 7.935 -4.115 -4.466 1.00 30.12 C ATOM 260 C CYS A 20 9.119 -5.073 -4.372 1.00 75.31 C ATOM 261 O CYS A 20 8.958 -6.243 -4.020 1.00 52.24 O ATOM 262 CB CYS A 20 7.387 -4.102 -5.893 1.00 52.34 C ATOM 263 SG CYS A 20 6.697 -5.697 -6.439 1.00 44.34 S ATOM 0 H CYS A 20 8.390 -2.100 -4.827 1.00 61.11 H new ATOM 0 HA CYS A 20 7.154 -4.461 -3.789 1.00 30.12 H new ATOM 0 HB2 CYS A 20 6.612 -3.339 -5.966 1.00 52.34 H new ATOM 0 HB3 CYS A 20 8.186 -3.811 -6.575 1.00 52.34 H new ATOM 268 N ARG A 21 10.307 -4.571 -4.690 1.00 45.11 N ATOM 269 CA ARG A 21 11.518 -5.382 -4.643 1.00 2.30 C ATOM 270 C ARG A 21 12.082 -5.434 -3.227 1.00 61.41 C ATOM 271 O ARG A 21 12.702 -6.422 -2.830 1.00 24.04 O ATOM 272 CB ARG A 21 12.569 -4.822 -5.603 1.00 3.04 C ATOM 273 CG ARG A 21 12.983 -3.393 -5.288 1.00 34.32 C ATOM 274 CD ARG A 21 14.002 -2.874 -6.290 1.00 22.31 C ATOM 275 NE ARG A 21 14.764 -1.747 -5.761 1.00 5.04 N ATOM 276 CZ ARG A 21 15.679 -1.085 -6.460 1.00 63.34 C ATOM 277 NH1 ARG A 21 15.943 -1.435 -7.711 1.00 71.53 N ATOM 278 NH2 ARG A 21 16.332 -0.070 -5.908 1.00 61.52 N ATOM 0 H ARG A 21 10.457 -3.606 -4.983 1.00 45.11 H new ATOM 0 HA ARG A 21 11.260 -6.396 -4.950 1.00 2.30 H new ATOM 0 HB2 ARG A 21 13.451 -5.461 -5.575 1.00 3.04 H new ATOM 0 HB3 ARG A 21 12.178 -4.862 -6.620 1.00 3.04 H new ATOM 0 HG2 ARG A 21 12.104 -2.749 -5.295 1.00 34.32 H new ATOM 0 HG3 ARG A 21 13.404 -3.348 -4.283 1.00 34.32 H new ATOM 0 HD2 ARG A 21 14.686 -3.678 -6.561 1.00 22.31 H new ATOM 0 HD3 ARG A 21 13.490 -2.569 -7.203 1.00 22.31 H new ATOM 0 HE ARG A 21 14.584 -1.452 -4.802 1.00 5.04 H new ATOM 0 HH11 ARG A 21 15.443 -2.214 -8.139 1.00 71.53 H new ATOM 0 HH12 ARG A 21 16.646 -0.925 -8.246 1.00 71.53 H new ATOM 0 HH21 ARG A 21 16.131 0.203 -4.946 1.00 61.52 H new ATOM 0 HH22 ARG A 21 17.034 0.437 -6.446 1.00 61.52 H new ATOM 292 N LYS A 22 11.865 -4.366 -2.469 1.00 20.03 N ATOM 293 CA LYS A 22 12.350 -4.289 -1.096 1.00 4.54 C ATOM 294 C LYS A 22 11.661 -5.327 -0.216 1.00 63.11 C ATOM 295 O LYS A 22 12.230 -5.795 0.772 1.00 53.32 O ATOM 296 CB LYS A 22 12.116 -2.887 -0.528 1.00 43.02 C ATOM 297 CG LYS A 22 13.023 -2.546 0.642 1.00 44.33 C ATOM 298 CD LYS A 22 14.373 -2.033 0.168 1.00 3.13 C ATOM 299 CE LYS A 22 15.002 -1.094 1.187 1.00 33.33 C ATOM 300 NZ LYS A 22 16.252 -1.662 1.767 1.00 14.32 N ATOM 0 H LYS A 22 11.355 -3.540 -2.782 1.00 20.03 H new ATOM 0 HA LYS A 22 13.420 -4.497 -1.103 1.00 4.54 H new ATOM 0 HB2 LYS A 22 12.267 -2.153 -1.320 1.00 43.02 H new ATOM 0 HB3 LYS A 22 11.077 -2.802 -0.209 1.00 43.02 H new ATOM 0 HG2 LYS A 22 12.545 -1.792 1.267 1.00 44.33 H new ATOM 0 HG3 LYS A 22 13.166 -3.430 1.263 1.00 44.33 H new ATOM 0 HD2 LYS A 22 15.041 -2.876 -0.013 1.00 3.13 H new ATOM 0 HD3 LYS A 22 14.252 -1.513 -0.782 1.00 3.13 H new ATOM 0 HE2 LYS A 22 15.224 -0.138 0.712 1.00 33.33 H new ATOM 0 HE3 LYS A 22 14.288 -0.895 1.986 1.00 33.33 H new ATOM 0 HZ1 LYS A 22 16.650 -0.993 2.456 1.00 14.32 H new ATOM 0 HZ2 LYS A 22 16.037 -2.562 2.242 1.00 14.32 H new ATOM 0 HZ3 LYS A 22 16.943 -1.828 1.008 1.00 14.32 H new ATOM 314 N LEU A 23 10.434 -5.684 -0.581 1.00 5.02 N ATOM 315 CA LEU A 23 9.668 -6.668 0.176 1.00 62.34 C ATOM 316 C LEU A 23 10.275 -8.060 0.029 1.00 20.53 C ATOM 317 O LEU A 23 10.358 -8.817 0.996 1.00 41.24 O ATOM 318 CB LEU A 23 8.213 -6.682 -0.297 1.00 22.25 C ATOM 319 CG LEU A 23 7.375 -5.458 0.074 1.00 21.21 C ATOM 320 CD1 LEU A 23 6.098 -5.415 -0.750 1.00 63.13 C ATOM 321 CD2 LEU A 23 7.052 -5.463 1.561 1.00 20.33 C ATOM 0 H LEU A 23 9.949 -5.307 -1.395 1.00 5.02 H new ATOM 0 HA LEU A 23 9.700 -6.387 1.229 1.00 62.34 H new ATOM 0 HB2 LEU A 23 8.206 -6.787 -1.382 1.00 22.25 H new ATOM 0 HB3 LEU A 23 7.727 -7.568 0.113 1.00 22.25 H new ATOM 0 HG LEU A 23 7.957 -4.563 -0.148 1.00 21.21 H new ATOM 0 HD11 LEU A 23 5.515 -4.537 -0.472 1.00 63.13 H new ATOM 0 HD12 LEU A 23 6.350 -5.363 -1.809 1.00 63.13 H new ATOM 0 HD13 LEU A 23 5.512 -6.315 -0.561 1.00 63.13 H new ATOM 0 HD21 LEU A 23 6.455 -4.585 1.807 1.00 20.33 H new ATOM 0 HD22 LEU A 23 6.491 -6.364 1.808 1.00 20.33 H new ATOM 0 HD23 LEU A 23 7.979 -5.444 2.135 1.00 20.33 H new ATOM 333 N ASN A 24 10.701 -8.390 -1.186 1.00 3.43 N ATOM 334 CA ASN A 24 11.302 -9.690 -1.458 1.00 43.31 C ATOM 335 C ASN A 24 12.466 -9.960 -0.510 1.00 64.01 C ATOM 336 O ASN A 24 12.783 -11.112 -0.213 1.00 2.23 O ATOM 337 CB ASN A 24 11.786 -9.758 -2.908 1.00 74.22 C ATOM 338 CG ASN A 24 10.683 -10.169 -3.866 1.00 11.15 C ATOM 339 OD1 ASN A 24 10.071 -11.226 -3.709 1.00 42.41 O ATOM 340 ND2 ASN A 24 10.426 -9.333 -4.865 1.00 55.42 N ATOM 0 H ASN A 24 10.641 -7.775 -1.997 1.00 3.43 H new ATOM 0 HA ASN A 24 10.541 -10.454 -1.299 1.00 43.31 H new ATOM 0 HB2 ASN A 24 12.177 -8.784 -3.204 1.00 74.22 H new ATOM 0 HB3 ASN A 24 12.610 -10.468 -2.981 1.00 74.22 H new ATOM 0 HD21 ASN A 24 9.696 -9.556 -5.541 1.00 55.42 H new ATOM 0 HD22 ASN A 24 10.959 -8.468 -4.956 1.00 55.42 H new ATOM 347 N GLU A 25 13.099 -8.890 -0.038 1.00 3.30 N ATOM 348 CA GLU A 25 14.228 -9.012 0.877 1.00 64.24 C ATOM 349 C GLU A 25 13.753 -9.366 2.283 1.00 71.42 C ATOM 350 O GLU A 25 14.506 -9.925 3.082 1.00 2.20 O ATOM 351 CB GLU A 25 15.029 -7.710 0.911 1.00 41.55 C ATOM 352 CG GLU A 25 15.483 -7.238 -0.462 1.00 30.23 C ATOM 353 CD GLU A 25 16.973 -6.966 -0.522 1.00 1.12 C ATOM 354 OE1 GLU A 25 17.756 -7.939 -0.480 1.00 73.12 O ATOM 355 OE2 GLU A 25 17.358 -5.782 -0.609 1.00 41.40 O ATOM 0 H GLU A 25 12.849 -7.930 -0.274 1.00 3.30 H new ATOM 0 HA GLU A 25 14.870 -9.815 0.516 1.00 64.24 H new ATOM 0 HB2 GLU A 25 14.421 -6.931 1.371 1.00 41.55 H new ATOM 0 HB3 GLU A 25 15.904 -7.848 1.546 1.00 41.55 H new ATOM 0 HG2 GLU A 25 15.225 -7.993 -1.205 1.00 30.23 H new ATOM 0 HG3 GLU A 25 14.941 -6.331 -0.728 1.00 30.23 H new ATOM 362 N SER A 26 12.499 -9.038 2.578 1.00 63.51 N ATOM 363 CA SER A 26 11.925 -9.317 3.889 1.00 30.14 C ATOM 364 C SER A 26 11.323 -10.719 3.931 1.00 12.41 C ATOM 365 O SER A 26 10.118 -10.893 3.747 1.00 3.22 O ATOM 366 CB SER A 26 10.854 -8.279 4.231 1.00 12.34 C ATOM 367 OG SER A 26 11.054 -7.750 5.530 1.00 53.50 O ATOM 0 H SER A 26 11.862 -8.579 1.927 1.00 63.51 H new ATOM 0 HA SER A 26 12.724 -9.261 4.628 1.00 30.14 H new ATOM 0 HB2 SER A 26 10.878 -7.472 3.499 1.00 12.34 H new ATOM 0 HB3 SER A 26 9.867 -8.736 4.169 1.00 12.34 H new ATOM 0 HG SER A 26 10.358 -7.088 5.724 1.00 53.50 H new ATOM 373 N GLU A 27 12.171 -11.713 4.174 1.00 11.30 N ATOM 374 CA GLU A 27 11.722 -13.099 4.240 1.00 41.33 C ATOM 375 C GLU A 27 10.383 -13.204 4.963 1.00 52.14 C ATOM 376 O GLU A 27 9.405 -13.708 4.409 1.00 21.13 O ATOM 377 CB GLU A 27 12.766 -13.963 4.950 1.00 45.41 C ATOM 378 CG GLU A 27 13.337 -15.069 4.078 1.00 30.23 C ATOM 379 CD GLU A 27 14.837 -14.949 3.891 1.00 61.42 C ATOM 380 OE1 GLU A 27 15.582 -15.324 4.820 1.00 1.12 O ATOM 381 OE2 GLU A 27 15.266 -14.481 2.816 1.00 13.41 O ATOM 0 H GLU A 27 13.171 -11.585 4.328 1.00 11.30 H new ATOM 0 HA GLU A 27 11.594 -13.461 3.220 1.00 41.33 H new ATOM 0 HB2 GLU A 27 13.581 -13.325 5.293 1.00 45.41 H new ATOM 0 HB3 GLU A 27 12.315 -14.408 5.837 1.00 45.41 H new ATOM 0 HG2 GLU A 27 13.107 -16.035 4.526 1.00 30.23 H new ATOM 0 HG3 GLU A 27 12.850 -15.046 3.103 1.00 30.23 H new ATOM 388 N ALA A 28 10.346 -12.725 6.201 1.00 22.23 N ATOM 389 CA ALA A 28 9.126 -12.763 7.000 1.00 63.25 C ATOM 390 C ALA A 28 7.904 -12.426 6.152 1.00 44.12 C ATOM 391 O ALA A 28 6.983 -13.232 6.026 1.00 1.20 O ATOM 392 CB ALA A 28 9.236 -11.805 8.176 1.00 42.10 C ATOM 0 H ALA A 28 11.147 -12.306 6.674 1.00 22.23 H new ATOM 0 HA ALA A 28 9.002 -13.776 7.382 1.00 63.25 H new ATOM 0 HB1 ALA A 28 8.319 -11.843 8.764 1.00 42.10 H new ATOM 0 HB2 ALA A 28 10.080 -12.093 8.802 1.00 42.10 H new ATOM 0 HB3 ALA A 28 9.388 -10.791 7.806 1.00 42.10 H new ATOM 398 N TYR A 29 7.904 -11.230 5.573 1.00 21.04 N ATOM 399 CA TYR A 29 6.794 -10.785 4.740 1.00 12.10 C ATOM 400 C TYR A 29 6.279 -11.923 3.864 1.00 73.41 C ATOM 401 O TYR A 29 5.093 -12.250 3.884 1.00 13.14 O ATOM 402 CB TYR A 29 7.225 -9.608 3.864 1.00 70.23 C ATOM 403 CG TYR A 29 6.363 -9.419 2.636 1.00 41.00 C ATOM 404 CD1 TYR A 29 5.005 -9.150 2.752 1.00 65.24 C ATOM 405 CD2 TYR A 29 6.908 -9.506 1.361 1.00 74.51 C ATOM 406 CE1 TYR A 29 4.214 -8.977 1.632 1.00 61.21 C ATOM 407 CE2 TYR A 29 6.124 -9.334 0.236 1.00 62.24 C ATOM 408 CZ TYR A 29 4.778 -9.070 0.377 1.00 11.13 C ATOM 409 OH TYR A 29 3.993 -8.897 -0.740 1.00 42.44 O ATOM 0 H TYR A 29 8.660 -10.552 5.666 1.00 21.04 H new ATOM 0 HA TYR A 29 5.987 -10.463 5.398 1.00 12.10 H new ATOM 0 HB2 TYR A 29 7.200 -8.695 4.459 1.00 70.23 H new ATOM 0 HB3 TYR A 29 8.259 -9.757 3.552 1.00 70.23 H new ATOM 0 HD1 TYR A 29 4.560 -9.075 3.733 1.00 65.24 H new ATOM 0 HD2 TYR A 29 7.962 -9.712 1.247 1.00 74.51 H new ATOM 0 HE1 TYR A 29 3.159 -8.770 1.739 1.00 61.21 H new ATOM 0 HE2 TYR A 29 6.563 -9.406 -0.748 1.00 62.24 H new ATOM 0 HH TYR A 29 4.544 -8.993 -1.545 1.00 42.44 H new ATOM 419 N ARG A 30 7.182 -12.525 3.095 1.00 3.53 N ATOM 420 CA ARG A 30 6.821 -13.626 2.212 1.00 62.41 C ATOM 421 C ARG A 30 6.231 -14.789 3.005 1.00 21.21 C ATOM 422 O ARG A 30 5.327 -15.480 2.536 1.00 54.33 O ATOM 423 CB ARG A 30 8.045 -14.099 1.426 1.00 20.30 C ATOM 424 CG ARG A 30 7.698 -14.920 0.194 1.00 4.34 C ATOM 425 CD ARG A 30 8.860 -15.806 -0.229 1.00 52.13 C ATOM 426 NE ARG A 30 8.838 -16.088 -1.662 1.00 45.12 N ATOM 427 CZ ARG A 30 9.860 -16.622 -2.322 1.00 41.31 C ATOM 428 NH1 ARG A 30 10.978 -16.931 -1.680 1.00 65.21 N ATOM 429 NH2 ARG A 30 9.765 -16.848 -3.626 1.00 30.31 N ATOM 0 H ARG A 30 8.169 -12.268 3.067 1.00 3.53 H new ATOM 0 HA ARG A 30 6.066 -13.266 1.513 1.00 62.41 H new ATOM 0 HB2 ARG A 30 8.628 -13.230 1.121 1.00 20.30 H new ATOM 0 HB3 ARG A 30 8.680 -14.695 2.082 1.00 20.30 H new ATOM 0 HG2 ARG A 30 6.824 -15.538 0.401 1.00 4.34 H new ATOM 0 HG3 ARG A 30 7.430 -14.253 -0.626 1.00 4.34 H new ATOM 0 HD2 ARG A 30 9.800 -15.320 0.031 1.00 52.13 H new ATOM 0 HD3 ARG A 30 8.822 -16.743 0.326 1.00 52.13 H new ATOM 0 HE ARG A 30 7.992 -15.863 -2.185 1.00 45.12 H new ATOM 0 HH11 ARG A 30 11.055 -16.759 -0.678 1.00 65.21 H new ATOM 0 HH12 ARG A 30 11.761 -17.341 -2.188 1.00 65.21 H new ATOM 0 HH21 ARG A 30 8.906 -16.612 -4.123 1.00 30.31 H new ATOM 0 HH22 ARG A 30 10.551 -17.258 -4.131 1.00 30.31 H new ATOM 443 N LYS A 31 6.751 -14.999 4.210 1.00 35.42 N ATOM 444 CA LYS A 31 6.276 -16.077 5.070 1.00 62.02 C ATOM 445 C LYS A 31 4.817 -15.860 5.461 1.00 5.41 C ATOM 446 O LYS A 31 4.013 -16.790 5.436 1.00 15.03 O ATOM 447 CB LYS A 31 7.143 -16.174 6.326 1.00 22.11 C ATOM 448 CG LYS A 31 8.614 -16.417 6.033 1.00 35.00 C ATOM 449 CD LYS A 31 8.808 -17.583 5.078 1.00 12.22 C ATOM 450 CE LYS A 31 8.263 -18.877 5.662 1.00 13.11 C ATOM 451 NZ LYS A 31 8.992 -20.069 5.146 1.00 21.02 N ATOM 0 H LYS A 31 7.501 -14.437 4.613 1.00 35.42 H new ATOM 0 HA LYS A 31 6.349 -17.011 4.513 1.00 62.02 H new ATOM 0 HB2 LYS A 31 7.043 -15.252 6.899 1.00 22.11 H new ATOM 0 HB3 LYS A 31 6.768 -16.982 6.955 1.00 22.11 H new ATOM 0 HG2 LYS A 31 9.054 -15.517 5.603 1.00 35.00 H new ATOM 0 HG3 LYS A 31 9.143 -16.617 6.965 1.00 35.00 H new ATOM 0 HD2 LYS A 31 8.307 -17.369 4.134 1.00 12.22 H new ATOM 0 HD3 LYS A 31 9.869 -17.701 4.856 1.00 12.22 H new ATOM 0 HE2 LYS A 31 8.341 -18.846 6.749 1.00 13.11 H new ATOM 0 HE3 LYS A 31 7.204 -18.967 5.421 1.00 13.11 H new ATOM 0 HZ1 LYS A 31 8.591 -20.931 5.568 1.00 21.02 H new ATOM 0 HZ2 LYS A 31 8.897 -20.113 4.111 1.00 21.02 H new ATOM 0 HZ3 LYS A 31 9.998 -19.996 5.398 1.00 21.02 H new ATOM 465 N ALA A 32 4.485 -14.624 5.821 1.00 50.41 N ATOM 466 CA ALA A 32 3.123 -14.284 6.214 1.00 10.25 C ATOM 467 C ALA A 32 2.203 -14.212 5.001 1.00 71.34 C ATOM 468 O ALA A 32 1.067 -14.684 5.042 1.00 3.14 O ATOM 469 CB ALA A 32 3.107 -12.964 6.971 1.00 51.13 C ATOM 0 H ALA A 32 5.140 -13.843 5.849 1.00 50.41 H new ATOM 0 HA ALA A 32 2.753 -15.072 6.870 1.00 10.25 H new ATOM 0 HB1 ALA A 32 2.084 -12.722 7.259 1.00 51.13 H new ATOM 0 HB2 ALA A 32 3.725 -13.050 7.865 1.00 51.13 H new ATOM 0 HB3 ALA A 32 3.501 -12.173 6.332 1.00 51.13 H new ATOM 475 N ALA A 33 2.700 -13.618 3.921 1.00 62.13 N ATOM 476 CA ALA A 33 1.923 -13.486 2.695 1.00 64.41 C ATOM 477 C ALA A 33 2.043 -14.737 1.832 1.00 62.45 C ATOM 478 O ALA A 33 1.944 -14.670 0.606 1.00 44.13 O ATOM 479 CB ALA A 33 2.372 -12.259 1.915 1.00 74.24 C ATOM 0 H ALA A 33 3.638 -13.220 3.870 1.00 62.13 H new ATOM 0 HA ALA A 33 0.875 -13.365 2.969 1.00 64.41 H new ATOM 0 HB1 ALA A 33 1.783 -12.173 1.002 1.00 74.24 H new ATOM 0 HB2 ALA A 33 2.228 -11.367 2.525 1.00 74.24 H new ATOM 0 HB3 ALA A 33 3.427 -12.357 1.659 1.00 74.24 H new ATOM 485 N SER A 34 2.257 -15.878 2.477 1.00 30.54 N ATOM 486 CA SER A 34 2.396 -17.145 1.768 1.00 53.31 C ATOM 487 C SER A 34 1.078 -17.546 1.111 1.00 61.10 C ATOM 488 O SER A 34 -0.001 -17.224 1.608 1.00 40.02 O ATOM 489 CB SER A 34 2.855 -18.244 2.728 1.00 71.42 C ATOM 490 OG SER A 34 3.313 -19.382 2.018 1.00 31.53 O ATOM 0 H SER A 34 2.338 -15.952 3.491 1.00 30.54 H new ATOM 0 HA SER A 34 3.147 -17.017 0.989 1.00 53.31 H new ATOM 0 HB2 SER A 34 3.653 -17.864 3.366 1.00 71.42 H new ATOM 0 HB3 SER A 34 2.031 -18.527 3.383 1.00 71.42 H new ATOM 0 HG SER A 34 3.602 -20.070 2.654 1.00 31.53 H new ATOM 496 N THR A 35 1.175 -18.251 -0.012 1.00 72.13 N ATOM 497 CA THR A 35 -0.008 -18.696 -0.739 1.00 5.30 C ATOM 498 C THR A 35 -1.021 -17.566 -0.885 1.00 4.11 C ATOM 499 O THR A 35 -2.218 -17.810 -1.030 1.00 51.10 O ATOM 500 CB THR A 35 -0.683 -19.889 -0.038 1.00 13.35 C ATOM 501 OG1 THR A 35 -1.674 -20.465 -0.896 1.00 1.11 O ATOM 502 CG2 THR A 35 -1.329 -19.454 1.270 1.00 43.43 C ATOM 0 H THR A 35 2.060 -18.526 -0.438 1.00 72.13 H new ATOM 0 HA THR A 35 0.328 -19.009 -1.728 1.00 5.30 H new ATOM 0 HB THR A 35 0.083 -20.633 0.183 1.00 13.35 H new ATOM 0 HG1 THR A 35 -2.259 -19.758 -1.240 1.00 1.11 H new ATOM 0 HG21 THR A 35 -1.799 -20.314 1.747 1.00 43.43 H new ATOM 0 HG22 THR A 35 -0.568 -19.043 1.933 1.00 43.43 H new ATOM 0 HG23 THR A 35 -2.083 -18.693 1.068 1.00 43.43 H new ATOM 510 N TRP A 36 -0.532 -16.332 -0.845 1.00 52.45 N ATOM 511 CA TRP A 36 -1.396 -15.164 -0.974 1.00 74.25 C ATOM 512 C TRP A 36 -1.947 -15.048 -2.391 1.00 54.24 C ATOM 513 O TRP A 36 -3.120 -15.330 -2.635 1.00 62.33 O ATOM 514 CB TRP A 36 -0.629 -13.893 -0.607 1.00 15.15 C ATOM 515 CG TRP A 36 -1.215 -12.651 -1.207 1.00 3.14 C ATOM 516 CD1 TRP A 36 -0.859 -12.064 -2.387 1.00 21.51 C ATOM 517 CD2 TRP A 36 -2.259 -11.842 -0.653 1.00 62.21 C ATOM 518 NE1 TRP A 36 -1.619 -10.940 -2.602 1.00 1.52 N ATOM 519 CE2 TRP A 36 -2.485 -10.782 -1.552 1.00 52.22 C ATOM 520 CE3 TRP A 36 -3.025 -11.911 0.514 1.00 41.10 C ATOM 521 CZ2 TRP A 36 -3.445 -9.800 -1.319 1.00 53.03 C ATOM 522 CZ3 TRP A 36 -3.977 -10.935 0.744 1.00 60.41 C ATOM 523 CH2 TRP A 36 -4.181 -9.892 -0.169 1.00 72.33 C ATOM 0 H TRP A 36 0.457 -16.114 -0.724 1.00 52.45 H new ATOM 0 HA TRP A 36 -2.234 -15.286 -0.287 1.00 74.25 H new ATOM 0 HB2 TRP A 36 -0.610 -13.789 0.478 1.00 15.15 H new ATOM 0 HB3 TRP A 36 0.405 -13.994 -0.936 1.00 15.15 H new ATOM 0 HD1 TRP A 36 -0.092 -12.430 -3.054 1.00 21.51 H new ATOM 0 HE1 TRP A 36 -1.550 -10.323 -3.412 1.00 1.52 H new ATOM 0 HE3 TRP A 36 -2.876 -12.712 1.223 1.00 41.10 H new ATOM 0 HZ2 TRP A 36 -3.603 -8.995 -2.021 1.00 53.03 H new ATOM 0 HZ3 TRP A 36 -4.574 -10.977 1.643 1.00 60.41 H new ATOM 0 HH2 TRP A 36 -4.934 -9.146 0.039 1.00 72.33 H new ATOM 534 N GLU A 37 -1.095 -14.630 -3.321 1.00 63.43 N ATOM 535 CA GLU A 37 -1.499 -14.477 -4.714 1.00 64.42 C ATOM 536 C GLU A 37 -2.499 -13.335 -4.868 1.00 31.02 C ATOM 537 O GLU A 37 -3.436 -13.207 -4.081 1.00 73.10 O ATOM 538 CB GLU A 37 -2.109 -15.778 -5.238 1.00 31.33 C ATOM 539 CG GLU A 37 -1.917 -15.983 -6.731 1.00 72.11 C ATOM 540 CD GLU A 37 -3.229 -16.179 -7.466 1.00 12.31 C ATOM 541 OE1 GLU A 37 -4.182 -16.702 -6.851 1.00 51.44 O ATOM 542 OE2 GLU A 37 -3.302 -15.807 -8.656 1.00 75.11 O ATOM 0 H GLU A 37 -0.121 -14.391 -3.136 1.00 63.43 H new ATOM 0 HA GLU A 37 -0.610 -14.240 -5.299 1.00 64.42 H new ATOM 0 HB2 GLU A 37 -1.665 -16.618 -4.704 1.00 31.33 H new ATOM 0 HB3 GLU A 37 -3.176 -15.786 -5.013 1.00 31.33 H new ATOM 0 HG2 GLU A 37 -1.396 -15.121 -7.148 1.00 72.11 H new ATOM 0 HG3 GLU A 37 -1.279 -16.851 -6.896 1.00 72.11 H new ATOM 549 N GLY A 38 -2.291 -12.507 -5.886 1.00 43.32 N ATOM 550 CA GLY A 38 -3.181 -11.386 -6.125 1.00 41.15 C ATOM 551 C GLY A 38 -2.441 -10.067 -6.215 1.00 4.40 C ATOM 552 O GLY A 38 -1.214 -10.028 -6.122 1.00 43.24 O ATOM 0 H GLY A 38 -1.522 -12.592 -6.550 1.00 43.32 H new ATOM 0 HA2 GLY A 38 -3.731 -11.554 -7.051 1.00 41.15 H new ATOM 0 HA3 GLY A 38 -3.916 -11.332 -5.322 1.00 41.15 H new ATOM 556 N SER A 39 -3.188 -8.982 -6.398 1.00 21.42 N ATOM 557 CA SER A 39 -2.594 -7.655 -6.506 1.00 1.42 C ATOM 558 C SER A 39 -3.358 -6.646 -5.654 1.00 14.14 C ATOM 559 O SER A 39 -4.591 -6.624 -5.652 1.00 61.43 O ATOM 560 CB SER A 39 -2.578 -7.197 -7.965 1.00 71.13 C ATOM 561 OG SER A 39 -3.816 -7.469 -8.599 1.00 2.14 O ATOM 0 H SER A 39 -4.205 -8.996 -6.474 1.00 21.42 H new ATOM 0 HA SER A 39 -1.569 -7.713 -6.139 1.00 1.42 H new ATOM 0 HB2 SER A 39 -2.369 -6.128 -8.012 1.00 71.13 H new ATOM 0 HB3 SER A 39 -1.774 -7.703 -8.499 1.00 71.13 H new ATOM 0 HG SER A 39 -3.780 -7.165 -9.530 1.00 2.14 H new ATOM 567 N LEU A 40 -2.620 -5.812 -4.930 1.00 31.24 N ATOM 568 CA LEU A 40 -3.228 -4.801 -4.072 1.00 40.24 C ATOM 569 C LEU A 40 -3.029 -3.404 -4.652 1.00 45.13 C ATOM 570 O LEU A 40 -1.942 -3.064 -5.118 1.00 44.21 O ATOM 571 CB LEU A 40 -2.630 -4.870 -2.666 1.00 71.41 C ATOM 572 CG LEU A 40 -3.206 -3.891 -1.642 1.00 62.31 C ATOM 573 CD1 LEU A 40 -4.559 -4.374 -1.144 1.00 2.14 C ATOM 574 CD2 LEU A 40 -2.242 -3.707 -0.480 1.00 2.34 C ATOM 0 H LEU A 40 -1.600 -5.816 -4.920 1.00 31.24 H new ATOM 0 HA LEU A 40 -4.298 -5.003 -4.016 1.00 40.24 H new ATOM 0 HB2 LEU A 40 -2.764 -5.883 -2.286 1.00 71.41 H new ATOM 0 HB3 LEU A 40 -1.556 -4.696 -2.741 1.00 71.41 H new ATOM 0 HG LEU A 40 -3.345 -2.926 -2.129 1.00 62.31 H new ATOM 0 HD11 LEU A 40 -4.953 -3.665 -0.416 1.00 2.14 H new ATOM 0 HD12 LEU A 40 -5.249 -4.453 -1.984 1.00 2.14 H new ATOM 0 HD13 LEU A 40 -4.446 -5.351 -0.674 1.00 2.14 H new ATOM 0 HD21 LEU A 40 -2.668 -3.007 0.239 1.00 2.34 H new ATOM 0 HD22 LEU A 40 -2.071 -4.667 0.006 1.00 2.34 H new ATOM 0 HD23 LEU A 40 -1.295 -3.314 -0.851 1.00 2.34 H new ATOM 586 N ALA A 41 -4.085 -2.598 -4.619 1.00 20.24 N ATOM 587 CA ALA A 41 -4.025 -1.237 -5.137 1.00 64.33 C ATOM 588 C ALA A 41 -4.476 -0.229 -4.086 1.00 71.54 C ATOM 589 O ALA A 41 -5.560 -0.356 -3.515 1.00 43.31 O ATOM 590 CB ALA A 41 -4.876 -1.113 -6.391 1.00 71.14 C ATOM 0 H ALA A 41 -4.993 -2.864 -4.239 1.00 20.24 H new ATOM 0 HA ALA A 41 -2.988 -1.016 -5.391 1.00 64.33 H new ATOM 0 HB1 ALA A 41 -4.822 -0.092 -6.768 1.00 71.14 H new ATOM 0 HB2 ALA A 41 -4.505 -1.800 -7.152 1.00 71.14 H new ATOM 0 HB3 ALA A 41 -5.911 -1.358 -6.154 1.00 71.14 H new ATOM 596 N LEU A 42 -3.639 0.772 -3.835 1.00 64.34 N ATOM 597 CA LEU A 42 -3.951 1.803 -2.851 1.00 73.54 C ATOM 598 C LEU A 42 -4.348 3.105 -3.536 1.00 54.44 C ATOM 599 O LEU A 42 -3.492 3.883 -3.958 1.00 12.25 O ATOM 600 CB LEU A 42 -2.752 2.040 -1.933 1.00 65.35 C ATOM 601 CG LEU A 42 -2.110 0.790 -1.329 1.00 74.41 C ATOM 602 CD1 LEU A 42 -0.761 1.126 -0.714 1.00 61.52 C ATOM 603 CD2 LEU A 42 -3.032 0.167 -0.291 1.00 50.13 C ATOM 0 H LEU A 42 -2.739 0.892 -4.299 1.00 64.34 H new ATOM 0 HA LEU A 42 -4.794 1.457 -2.253 1.00 73.54 H new ATOM 0 HB2 LEU A 42 -1.990 2.579 -2.496 1.00 65.35 H new ATOM 0 HB3 LEU A 42 -3.067 2.692 -1.118 1.00 65.35 H new ATOM 0 HG LEU A 42 -1.951 0.065 -2.127 1.00 74.41 H new ATOM 0 HD11 LEU A 42 -0.320 0.224 -0.289 1.00 61.52 H new ATOM 0 HD12 LEU A 42 -0.100 1.526 -1.483 1.00 61.52 H new ATOM 0 HD13 LEU A 42 -0.894 1.869 0.072 1.00 61.52 H new ATOM 0 HD21 LEU A 42 -2.560 -0.721 0.129 1.00 50.13 H new ATOM 0 HD22 LEU A 42 -3.223 0.887 0.505 1.00 50.13 H new ATOM 0 HD23 LEU A 42 -3.975 -0.111 -0.762 1.00 50.13 H new ATOM 615 N ALA A 43 -5.652 3.340 -3.643 1.00 34.25 N ATOM 616 CA ALA A 43 -6.162 4.551 -4.272 1.00 40.30 C ATOM 617 C ALA A 43 -6.116 5.732 -3.308 1.00 11.53 C ATOM 618 O ALA A 43 -6.167 5.555 -2.091 1.00 15.55 O ATOM 619 CB ALA A 43 -7.582 4.329 -4.770 1.00 14.15 C ATOM 0 H ALA A 43 -6.375 2.706 -3.301 1.00 34.25 H new ATOM 0 HA ALA A 43 -5.523 4.785 -5.123 1.00 40.30 H new ATOM 0 HB1 ALA A 43 -7.950 5.242 -5.238 1.00 14.15 H new ATOM 0 HB2 ALA A 43 -7.589 3.519 -5.500 1.00 14.15 H new ATOM 0 HB3 ALA A 43 -8.225 4.067 -3.930 1.00 14.15 H new ATOM 625 N VAL A 44 -6.018 6.938 -3.860 1.00 61.43 N ATOM 626 CA VAL A 44 -5.964 8.148 -3.049 1.00 73.31 C ATOM 627 C VAL A 44 -6.984 9.175 -3.528 1.00 11.11 C ATOM 628 O VAL A 44 -6.800 9.810 -4.567 1.00 5.10 O ATOM 629 CB VAL A 44 -4.561 8.782 -3.077 1.00 52.15 C ATOM 630 CG1 VAL A 44 -4.581 10.155 -2.423 1.00 55.12 C ATOM 631 CG2 VAL A 44 -3.552 7.872 -2.394 1.00 35.30 C ATOM 0 H VAL A 44 -5.974 7.102 -4.866 1.00 61.43 H new ATOM 0 HA VAL A 44 -6.200 7.854 -2.026 1.00 73.31 H new ATOM 0 HB VAL A 44 -4.259 8.906 -4.117 1.00 52.15 H new ATOM 0 HG11 VAL A 44 -3.581 10.587 -2.453 1.00 55.12 H new ATOM 0 HG12 VAL A 44 -5.272 10.804 -2.961 1.00 55.12 H new ATOM 0 HG13 VAL A 44 -4.904 10.060 -1.386 1.00 55.12 H new ATOM 0 HG21 VAL A 44 -2.566 8.336 -2.423 1.00 35.30 H new ATOM 0 HG22 VAL A 44 -3.848 7.714 -1.357 1.00 35.30 H new ATOM 0 HG23 VAL A 44 -3.518 6.913 -2.912 1.00 35.30 H new ATOM 641 N ARG A 45 -8.060 9.334 -2.764 1.00 12.23 N ATOM 642 CA ARG A 45 -9.109 10.284 -3.110 1.00 15.20 C ATOM 643 C ARG A 45 -8.521 11.531 -3.763 1.00 41.45 C ATOM 644 O ARG A 45 -7.468 12.031 -3.366 1.00 41.34 O ATOM 645 CB ARG A 45 -9.905 10.676 -1.864 1.00 4.04 C ATOM 646 CG ARG A 45 -10.975 9.666 -1.483 1.00 31.24 C ATOM 647 CD ARG A 45 -12.136 10.331 -0.758 1.00 24.43 C ATOM 648 NE ARG A 45 -13.414 9.699 -1.075 1.00 5.34 N ATOM 649 CZ ARG A 45 -13.955 9.703 -2.287 1.00 71.12 C ATOM 650 NH1 ARG A 45 -13.332 10.304 -3.293 1.00 21.53 N ATOM 651 NH2 ARG A 45 -15.121 9.106 -2.497 1.00 12.30 N ATOM 0 H ARG A 45 -8.228 8.817 -1.901 1.00 12.23 H new ATOM 0 HA ARG A 45 -9.778 9.802 -3.823 1.00 15.20 H new ATOM 0 HB2 ARG A 45 -9.217 10.797 -1.027 1.00 4.04 H new ATOM 0 HB3 ARG A 45 -10.375 11.645 -2.033 1.00 4.04 H new ATOM 0 HG2 ARG A 45 -11.342 9.168 -2.380 1.00 31.24 H new ATOM 0 HG3 ARG A 45 -10.540 8.896 -0.846 1.00 31.24 H new ATOM 0 HD2 ARG A 45 -11.966 10.285 0.318 1.00 24.43 H new ATOM 0 HD3 ARG A 45 -12.176 11.386 -1.029 1.00 24.43 H new ATOM 0 HE ARG A 45 -13.919 9.229 -0.324 1.00 5.34 H new ATOM 0 HH11 ARG A 45 -12.435 10.764 -3.136 1.00 21.53 H new ATOM 0 HH12 ARG A 45 -13.750 10.306 -4.224 1.00 21.53 H new ATOM 0 HH21 ARG A 45 -15.603 8.643 -1.726 1.00 12.30 H new ATOM 0 HH22 ARG A 45 -15.535 9.110 -3.429 1.00 12.30 H new ATOM 665 N PRO A 46 -9.214 12.047 -4.789 1.00 30.51 N ATOM 666 CA PRO A 46 -8.779 13.242 -5.518 1.00 61.33 C ATOM 667 C PRO A 46 -8.893 14.508 -4.677 1.00 2.53 C ATOM 668 O PRO A 46 -9.890 14.717 -3.985 1.00 61.02 O ATOM 669 CB PRO A 46 -9.741 13.301 -6.708 1.00 3.32 C ATOM 670 CG PRO A 46 -10.961 12.582 -6.245 1.00 1.54 C ATOM 671 CD PRO A 46 -10.478 11.503 -5.315 1.00 2.01 C ATOM 0 HA PRO A 46 -7.729 13.185 -5.804 1.00 61.33 H new ATOM 0 HB2 PRO A 46 -9.969 14.331 -6.982 1.00 3.32 H new ATOM 0 HB3 PRO A 46 -9.311 12.824 -7.589 1.00 3.32 H new ATOM 0 HG2 PRO A 46 -11.644 13.261 -5.734 1.00 1.54 H new ATOM 0 HG3 PRO A 46 -11.506 12.156 -7.087 1.00 1.54 H new ATOM 0 HD2 PRO A 46 -11.195 11.309 -4.517 1.00 2.01 H new ATOM 0 HD3 PRO A 46 -10.322 10.560 -5.840 1.00 2.01 H new ATOM 679 N ASP A 47 -7.867 15.350 -4.741 1.00 52.02 N ATOM 680 CA ASP A 47 -7.854 16.598 -3.986 1.00 70.53 C ATOM 681 C ASP A 47 -6.640 17.443 -4.355 1.00 52.01 C ATOM 682 O ASP A 47 -5.533 16.935 -4.543 1.00 44.20 O ATOM 683 CB ASP A 47 -7.853 16.310 -2.484 1.00 20.42 C ATOM 684 CG ASP A 47 -8.677 17.313 -1.702 1.00 30.04 C ATOM 685 OD1 ASP A 47 -9.913 17.147 -1.640 1.00 74.52 O ATOM 686 OD2 ASP A 47 -8.086 18.264 -1.149 1.00 73.23 O ATOM 0 H ASP A 47 -7.034 15.191 -5.308 1.00 52.02 H new ATOM 0 HA ASP A 47 -8.754 17.157 -4.240 1.00 70.53 H new ATOM 0 HB2 ASP A 47 -8.244 15.308 -2.309 1.00 20.42 H new ATOM 0 HB3 ASP A 47 -6.827 16.321 -2.116 1.00 20.42 H new ATOM 691 N PRO A 48 -6.847 18.764 -4.462 1.00 74.30 N ATOM 692 CA PRO A 48 -5.781 19.708 -4.810 1.00 22.44 C ATOM 693 C PRO A 48 -4.756 19.860 -3.692 1.00 43.33 C ATOM 694 O PRO A 48 -3.552 19.921 -3.943 1.00 44.34 O ATOM 695 CB PRO A 48 -6.531 21.023 -5.031 1.00 43.05 C ATOM 696 CG PRO A 48 -7.771 20.894 -4.218 1.00 14.44 C ATOM 697 CD PRO A 48 -8.140 19.437 -4.251 1.00 41.55 C ATOM 0 HA PRO A 48 -5.209 19.377 -5.677 1.00 22.44 H new ATOM 0 HB2 PRO A 48 -5.935 21.877 -4.710 1.00 43.05 H new ATOM 0 HB3 PRO A 48 -6.763 21.174 -6.085 1.00 43.05 H new ATOM 0 HG2 PRO A 48 -7.603 21.231 -3.195 1.00 14.44 H new ATOM 0 HG3 PRO A 48 -8.572 21.509 -4.629 1.00 14.44 H new ATOM 0 HD2 PRO A 48 -8.611 19.120 -3.320 1.00 41.55 H new ATOM 0 HD3 PRO A 48 -8.843 19.218 -5.055 1.00 41.55 H new ATOM 705 N LYS A 49 -5.239 19.921 -2.455 1.00 61.55 N ATOM 706 CA LYS A 49 -4.364 20.065 -1.299 1.00 20.04 C ATOM 707 C LYS A 49 -3.084 19.254 -1.479 1.00 35.43 C ATOM 708 O LYS A 49 -2.017 19.651 -1.014 1.00 23.14 O ATOM 709 CB LYS A 49 -5.090 19.618 -0.027 1.00 45.31 C ATOM 710 CG LYS A 49 -4.868 20.545 1.157 1.00 31.41 C ATOM 711 CD LYS A 49 -4.288 19.799 2.348 1.00 51.14 C ATOM 712 CE LYS A 49 -3.542 20.738 3.283 1.00 72.11 C ATOM 713 NZ LYS A 49 -3.147 20.061 4.550 1.00 52.13 N ATOM 0 H LYS A 49 -6.232 19.873 -2.228 1.00 61.55 H new ATOM 0 HA LYS A 49 -4.095 21.117 -1.207 1.00 20.04 H new ATOM 0 HB2 LYS A 49 -6.159 19.553 -0.232 1.00 45.31 H new ATOM 0 HB3 LYS A 49 -4.755 18.615 0.239 1.00 45.31 H new ATOM 0 HG2 LYS A 49 -4.194 21.351 0.868 1.00 31.41 H new ATOM 0 HG3 LYS A 49 -5.814 21.007 1.441 1.00 31.41 H new ATOM 0 HD2 LYS A 49 -5.090 19.302 2.893 1.00 51.14 H new ATOM 0 HD3 LYS A 49 -3.611 19.020 1.997 1.00 51.14 H new ATOM 0 HE2 LYS A 49 -2.652 21.118 2.782 1.00 72.11 H new ATOM 0 HE3 LYS A 49 -4.171 21.598 3.512 1.00 72.11 H new ATOM 0 HZ1 LYS A 49 -2.641 20.734 5.160 1.00 52.13 H new ATOM 0 HZ2 LYS A 49 -3.998 19.720 5.041 1.00 52.13 H new ATOM 0 HZ3 LYS A 49 -2.526 19.255 4.334 1.00 52.13 H new ATOM 727 N ALA A 50 -3.200 18.118 -2.157 1.00 21.50 N ATOM 728 CA ALA A 50 -2.052 17.253 -2.401 1.00 43.10 C ATOM 729 C ALA A 50 -1.497 17.462 -3.806 1.00 4.23 C ATOM 730 O ALA A 50 -0.308 17.260 -4.051 1.00 23.54 O ATOM 731 CB ALA A 50 -2.435 15.795 -2.195 1.00 55.14 C ATOM 0 H ALA A 50 -4.077 17.775 -2.548 1.00 21.50 H new ATOM 0 HA ALA A 50 -1.272 17.516 -1.687 1.00 43.10 H new ATOM 0 HB1 ALA A 50 -1.568 15.161 -2.381 1.00 55.14 H new ATOM 0 HB2 ALA A 50 -2.778 15.650 -1.170 1.00 55.14 H new ATOM 0 HB3 ALA A 50 -3.234 15.528 -2.886 1.00 55.14 H new ATOM 737 N GLY A 51 -2.366 17.869 -4.727 1.00 5.43 N ATOM 738 CA GLY A 51 -1.943 18.098 -6.096 1.00 11.13 C ATOM 739 C GLY A 51 -2.384 16.990 -7.032 1.00 41.01 C ATOM 740 O GLY A 51 -1.646 16.605 -7.939 1.00 74.23 O ATOM 0 H GLY A 51 -3.355 18.044 -4.549 1.00 5.43 H new ATOM 0 HA2 GLY A 51 -2.350 19.047 -6.445 1.00 11.13 H new ATOM 0 HA3 GLY A 51 -0.857 18.185 -6.128 1.00 11.13 H new ATOM 744 N PHE A 52 -3.588 16.475 -6.811 1.00 54.44 N ATOM 745 CA PHE A 52 -4.125 15.404 -7.641 1.00 33.03 C ATOM 746 C PHE A 52 -5.636 15.545 -7.801 1.00 42.31 C ATOM 747 O PHE A 52 -6.422 14.908 -7.100 1.00 52.03 O ATOM 748 CB PHE A 52 -3.791 14.041 -7.029 1.00 60.14 C ATOM 749 CG PHE A 52 -2.336 13.872 -6.701 1.00 22.44 C ATOM 750 CD1 PHE A 52 -1.777 14.521 -5.612 1.00 53.40 C ATOM 751 CD2 PHE A 52 -1.525 13.063 -7.481 1.00 71.44 C ATOM 752 CE1 PHE A 52 -0.437 14.367 -5.308 1.00 60.12 C ATOM 753 CE2 PHE A 52 -0.185 12.905 -7.183 1.00 41.12 C ATOM 754 CZ PHE A 52 0.359 13.558 -6.093 1.00 64.24 C ATOM 0 H PHE A 52 -4.211 16.782 -6.064 1.00 54.44 H new ATOM 0 HA PHE A 52 -3.665 15.476 -8.626 1.00 33.03 H new ATOM 0 HB2 PHE A 52 -4.378 13.906 -6.121 1.00 60.14 H new ATOM 0 HB3 PHE A 52 -4.092 13.256 -7.723 1.00 60.14 H new ATOM 0 HD1 PHE A 52 -2.395 15.155 -4.993 1.00 53.40 H new ATOM 0 HD2 PHE A 52 -1.946 12.549 -8.333 1.00 71.44 H new ATOM 0 HE1 PHE A 52 -0.014 14.879 -4.457 1.00 60.12 H new ATOM 0 HE2 PHE A 52 0.436 12.273 -7.800 1.00 41.12 H new ATOM 0 HZ PHE A 52 1.406 13.435 -5.856 1.00 64.24 H new ATOM 764 N PRO A 53 -6.053 16.401 -8.746 1.00 12.12 N ATOM 765 CA PRO A 53 -7.471 16.648 -9.023 1.00 31.24 C ATOM 766 C PRO A 53 -8.153 15.447 -9.671 1.00 45.32 C ATOM 767 O PRO A 53 -9.350 15.478 -9.954 1.00 10.43 O ATOM 768 CB PRO A 53 -7.444 17.833 -9.989 1.00 4.44 C ATOM 769 CG PRO A 53 -6.111 17.753 -10.650 1.00 60.30 C ATOM 770 CD PRO A 53 -5.170 17.194 -9.619 1.00 75.01 C ATOM 0 HA PRO A 53 -8.037 16.838 -8.111 1.00 31.24 H new ATOM 0 HB2 PRO A 53 -8.252 17.768 -10.718 1.00 4.44 H new ATOM 0 HB3 PRO A 53 -7.567 18.778 -9.460 1.00 4.44 H new ATOM 0 HG2 PRO A 53 -6.150 17.112 -11.531 1.00 60.30 H new ATOM 0 HG3 PRO A 53 -5.782 18.737 -10.986 1.00 60.30 H new ATOM 0 HD2 PRO A 53 -4.395 16.577 -10.074 1.00 75.01 H new ATOM 0 HD3 PRO A 53 -4.663 17.985 -9.066 1.00 75.01 H new ATOM 778 N LYS A 54 -7.382 14.389 -9.904 1.00 3.53 N ATOM 779 CA LYS A 54 -7.910 13.177 -10.517 1.00 54.23 C ATOM 780 C LYS A 54 -7.655 11.963 -9.631 1.00 22.22 C ATOM 781 O LYS A 54 -8.218 10.892 -9.851 1.00 20.34 O ATOM 782 CB LYS A 54 -7.277 12.960 -11.893 1.00 44.21 C ATOM 783 CG LYS A 54 -5.760 12.888 -11.861 1.00 12.03 C ATOM 784 CD LYS A 54 -5.131 14.230 -12.196 1.00 74.40 C ATOM 785 CE LYS A 54 -3.615 14.134 -12.255 1.00 65.21 C ATOM 786 NZ LYS A 54 -2.994 15.422 -12.669 1.00 41.33 N ATOM 0 H LYS A 54 -6.388 14.348 -9.677 1.00 3.53 H new ATOM 0 HA LYS A 54 -8.987 13.299 -10.634 1.00 54.23 H new ATOM 0 HB2 LYS A 54 -7.667 12.037 -12.321 1.00 44.21 H new ATOM 0 HB3 LYS A 54 -7.580 13.771 -12.555 1.00 44.21 H new ATOM 0 HG2 LYS A 54 -5.431 12.567 -10.873 1.00 12.03 H new ATOM 0 HG3 LYS A 54 -5.415 12.136 -12.571 1.00 12.03 H new ATOM 0 HD2 LYS A 54 -5.512 14.583 -13.154 1.00 74.40 H new ATOM 0 HD3 LYS A 54 -5.421 14.967 -11.447 1.00 74.40 H new ATOM 0 HE2 LYS A 54 -3.231 13.843 -11.277 1.00 65.21 H new ATOM 0 HE3 LYS A 54 -3.328 13.350 -12.956 1.00 65.21 H new ATOM 0 HZ1 LYS A 54 -1.960 15.316 -12.697 1.00 41.33 H new ATOM 0 HZ2 LYS A 54 -3.341 15.687 -13.613 1.00 41.33 H new ATOM 0 HZ3 LYS A 54 -3.247 16.165 -11.986 1.00 41.33 H new ATOM 800 N GLY A 55 -6.801 12.138 -8.626 1.00 63.13 N ATOM 801 CA GLY A 55 -6.487 11.048 -7.721 1.00 62.51 C ATOM 802 C GLY A 55 -5.355 10.178 -8.232 1.00 22.55 C ATOM 803 O GLY A 55 -4.819 10.415 -9.314 1.00 42.42 O ATOM 0 H GLY A 55 -6.322 13.015 -8.423 1.00 63.13 H new ATOM 0 HA2 GLY A 55 -6.217 11.455 -6.747 1.00 62.51 H new ATOM 0 HA3 GLY A 55 -7.376 10.434 -7.575 1.00 62.51 H new ATOM 807 N VAL A 56 -4.989 9.167 -7.450 1.00 61.34 N ATOM 808 CA VAL A 56 -3.913 8.259 -7.829 1.00 20.32 C ATOM 809 C VAL A 56 -4.121 6.877 -7.219 1.00 65.45 C ATOM 810 O VAL A 56 -4.666 6.745 -6.125 1.00 35.04 O ATOM 811 CB VAL A 56 -2.540 8.801 -7.388 1.00 42.23 C ATOM 812 CG1 VAL A 56 -1.506 7.686 -7.373 1.00 4.21 C ATOM 813 CG2 VAL A 56 -2.099 9.937 -8.299 1.00 71.20 C ATOM 0 H VAL A 56 -5.422 8.956 -6.551 1.00 61.34 H new ATOM 0 HA VAL A 56 -3.932 8.181 -8.916 1.00 20.32 H new ATOM 0 HB VAL A 56 -2.631 9.193 -6.375 1.00 42.23 H new ATOM 0 HG11 VAL A 56 -0.542 8.088 -7.059 1.00 4.21 H new ATOM 0 HG12 VAL A 56 -1.819 6.908 -6.676 1.00 4.21 H new ATOM 0 HG13 VAL A 56 -1.414 7.262 -8.373 1.00 4.21 H new ATOM 0 HG21 VAL A 56 -1.127 10.308 -7.973 1.00 71.20 H new ATOM 0 HG22 VAL A 56 -2.024 9.573 -9.324 1.00 71.20 H new ATOM 0 HG23 VAL A 56 -2.830 10.745 -8.253 1.00 71.20 H new ATOM 823 N ALA A 57 -3.681 5.848 -7.938 1.00 31.44 N ATOM 824 CA ALA A 57 -3.816 4.475 -7.467 1.00 13.52 C ATOM 825 C ALA A 57 -2.530 3.687 -7.694 1.00 15.31 C ATOM 826 O ALA A 57 -2.128 3.452 -8.833 1.00 75.14 O ATOM 827 CB ALA A 57 -4.986 3.792 -8.160 1.00 2.10 C ATOM 0 H ALA A 57 -3.229 5.940 -8.848 1.00 31.44 H new ATOM 0 HA ALA A 57 -4.009 4.502 -6.395 1.00 13.52 H new ATOM 0 HB1 ALA A 57 -5.075 2.767 -7.799 1.00 2.10 H new ATOM 0 HB2 ALA A 57 -5.906 4.335 -7.942 1.00 2.10 H new ATOM 0 HB3 ALA A 57 -4.817 3.784 -9.237 1.00 2.10 H new ATOM 833 N VAL A 58 -1.889 3.284 -6.602 1.00 61.33 N ATOM 834 CA VAL A 58 -0.648 2.522 -6.683 1.00 62.23 C ATOM 835 C VAL A 58 -0.919 1.022 -6.633 1.00 72.22 C ATOM 836 O VAL A 58 -1.444 0.509 -5.646 1.00 22.53 O ATOM 837 CB VAL A 58 0.316 2.896 -5.543 1.00 3.32 C ATOM 838 CG1 VAL A 58 1.391 1.832 -5.379 1.00 55.32 C ATOM 839 CG2 VAL A 58 0.940 4.260 -5.799 1.00 31.24 C ATOM 0 H VAL A 58 -2.208 3.472 -5.652 1.00 61.33 H new ATOM 0 HA VAL A 58 -0.185 2.773 -7.637 1.00 62.23 H new ATOM 0 HB VAL A 58 -0.252 2.949 -4.614 1.00 3.32 H new ATOM 0 HG11 VAL A 58 2.062 2.115 -4.568 1.00 55.32 H new ATOM 0 HG12 VAL A 58 0.923 0.875 -5.146 1.00 55.32 H new ATOM 0 HG13 VAL A 58 1.958 1.742 -6.305 1.00 55.32 H new ATOM 0 HG21 VAL A 58 1.619 4.509 -4.983 1.00 31.24 H new ATOM 0 HG22 VAL A 58 1.494 4.236 -6.737 1.00 31.24 H new ATOM 0 HG23 VAL A 58 0.155 5.014 -5.860 1.00 31.24 H new ATOM 849 N VAL A 59 -0.557 0.325 -7.705 1.00 33.25 N ATOM 850 CA VAL A 59 -0.760 -1.117 -7.782 1.00 41.14 C ATOM 851 C VAL A 59 0.394 -1.871 -7.131 1.00 3.05 C ATOM 852 O VAL A 59 1.481 -1.321 -6.943 1.00 30.54 O ATOM 853 CB VAL A 59 -0.903 -1.586 -9.243 1.00 13.21 C ATOM 854 CG1 VAL A 59 -1.295 -3.055 -9.296 1.00 71.20 C ATOM 855 CG2 VAL A 59 -1.921 -0.727 -9.980 1.00 20.54 C ATOM 0 H VAL A 59 -0.122 0.735 -8.532 1.00 33.25 H new ATOM 0 HA VAL A 59 -1.683 -1.335 -7.244 1.00 41.14 H new ATOM 0 HB VAL A 59 0.061 -1.474 -9.739 1.00 13.21 H new ATOM 0 HG11 VAL A 59 -1.391 -3.369 -10.335 1.00 71.20 H new ATOM 0 HG12 VAL A 59 -0.528 -3.654 -8.806 1.00 71.20 H new ATOM 0 HG13 VAL A 59 -2.247 -3.196 -8.785 1.00 71.20 H new ATOM 0 HG21 VAL A 59 -2.010 -1.072 -11.010 1.00 20.54 H new ATOM 0 HG22 VAL A 59 -2.889 -0.806 -9.486 1.00 20.54 H new ATOM 0 HG23 VAL A 59 -1.594 0.313 -9.972 1.00 20.54 H new ATOM 865 N LEU A 60 0.153 -3.131 -6.788 1.00 14.21 N ATOM 866 CA LEU A 60 1.172 -3.962 -6.156 1.00 11.52 C ATOM 867 C LEU A 60 0.870 -5.442 -6.357 1.00 74.25 C ATOM 868 O LEU A 60 0.252 -6.082 -5.506 1.00 21.02 O ATOM 869 CB LEU A 60 1.261 -3.646 -4.662 1.00 22.24 C ATOM 870 CG LEU A 60 1.714 -2.231 -4.300 1.00 32.43 C ATOM 871 CD1 LEU A 60 1.614 -2.007 -2.799 1.00 43.24 C ATOM 872 CD2 LEU A 60 3.134 -1.985 -4.785 1.00 62.00 C ATOM 0 H LEU A 60 -0.740 -3.600 -6.937 1.00 14.21 H new ATOM 0 HA LEU A 60 2.130 -3.739 -6.626 1.00 11.52 H new ATOM 0 HB2 LEU A 60 0.281 -3.817 -4.216 1.00 22.24 H new ATOM 0 HB3 LEU A 60 1.949 -4.355 -4.202 1.00 22.24 H new ATOM 0 HG LEU A 60 1.054 -1.520 -4.797 1.00 32.43 H new ATOM 0 HD11 LEU A 60 1.940 -0.995 -2.560 1.00 43.24 H new ATOM 0 HD12 LEU A 60 0.580 -2.140 -2.479 1.00 43.24 H new ATOM 0 HD13 LEU A 60 2.249 -2.725 -2.281 1.00 43.24 H new ATOM 0 HD21 LEU A 60 3.439 -0.973 -4.519 1.00 62.00 H new ATOM 0 HD22 LEU A 60 3.808 -2.703 -4.317 1.00 62.00 H new ATOM 0 HD23 LEU A 60 3.174 -2.103 -5.868 1.00 62.00 H new ATOM 884 N ASP A 61 1.309 -5.982 -7.489 1.00 64.11 N ATOM 885 CA ASP A 61 1.090 -7.389 -7.802 1.00 34.25 C ATOM 886 C ASP A 61 1.974 -8.283 -6.938 1.00 53.13 C ATOM 887 O ASP A 61 3.174 -8.415 -7.187 1.00 54.33 O ATOM 888 CB ASP A 61 1.366 -7.654 -9.282 1.00 63.43 C ATOM 889 CG ASP A 61 1.327 -9.131 -9.623 1.00 71.32 C ATOM 890 OD1 ASP A 61 1.142 -9.948 -8.698 1.00 34.32 O ATOM 891 OD2 ASP A 61 1.482 -9.469 -10.816 1.00 32.44 O ATOM 0 H ASP A 61 1.819 -5.466 -8.206 1.00 64.11 H new ATOM 0 HA ASP A 61 0.048 -7.625 -7.588 1.00 34.25 H new ATOM 0 HB2 ASP A 61 0.629 -7.125 -9.886 1.00 63.43 H new ATOM 0 HB3 ASP A 61 2.343 -7.249 -9.544 1.00 63.43 H new ATOM 896 N LEU A 62 1.375 -8.895 -5.922 1.00 23.14 N ATOM 897 CA LEU A 62 2.109 -9.776 -5.020 1.00 43.41 C ATOM 898 C LEU A 62 1.656 -11.223 -5.184 1.00 64.42 C ATOM 899 O LEU A 62 0.459 -11.507 -5.229 1.00 24.42 O ATOM 900 CB LEU A 62 1.914 -9.330 -3.569 1.00 61.33 C ATOM 901 CG LEU A 62 1.718 -7.830 -3.349 1.00 14.21 C ATOM 902 CD1 LEU A 62 1.423 -7.539 -1.885 1.00 73.12 C ATOM 903 CD2 LEU A 62 2.944 -7.058 -3.812 1.00 50.52 C ATOM 0 H LEU A 62 0.384 -8.797 -5.702 1.00 23.14 H new ATOM 0 HA LEU A 62 3.167 -9.715 -5.274 1.00 43.41 H new ATOM 0 HB2 LEU A 62 1.048 -9.853 -3.162 1.00 61.33 H new ATOM 0 HB3 LEU A 62 2.781 -9.651 -2.991 1.00 61.33 H new ATOM 0 HG LEU A 62 0.864 -7.504 -3.942 1.00 14.21 H new ATOM 0 HD11 LEU A 62 1.286 -6.466 -1.748 1.00 73.12 H new ATOM 0 HD12 LEU A 62 0.514 -8.062 -1.586 1.00 73.12 H new ATOM 0 HD13 LEU A 62 2.257 -7.880 -1.271 1.00 73.12 H new ATOM 0 HD21 LEU A 62 2.786 -5.992 -3.648 1.00 50.52 H new ATOM 0 HD22 LEU A 62 3.816 -7.387 -3.247 1.00 50.52 H new ATOM 0 HD23 LEU A 62 3.110 -7.241 -4.874 1.00 50.52 H new ATOM 915 N TRP A 63 2.620 -12.132 -5.273 1.00 73.10 N ATOM 916 CA TRP A 63 2.320 -13.551 -5.430 1.00 41.32 C ATOM 917 C TRP A 63 2.197 -14.235 -4.073 1.00 53.31 C ATOM 918 O TRP A 63 1.762 -13.624 -3.096 1.00 53.25 O ATOM 919 CB TRP A 63 3.407 -14.234 -6.263 1.00 12.15 C ATOM 920 CG TRP A 63 2.900 -15.395 -7.063 1.00 33.23 C ATOM 921 CD1 TRP A 63 3.423 -16.656 -7.101 1.00 4.13 C ATOM 922 CD2 TRP A 63 1.770 -15.402 -7.942 1.00 73.11 C ATOM 923 NE1 TRP A 63 2.688 -17.446 -7.951 1.00 13.20 N ATOM 924 CE2 TRP A 63 1.667 -16.700 -8.479 1.00 43.32 C ATOM 925 CE3 TRP A 63 0.834 -14.438 -8.327 1.00 1.21 C ATOM 926 CZ2 TRP A 63 0.667 -17.056 -9.380 1.00 35.01 C ATOM 927 CZ3 TRP A 63 -0.158 -14.793 -9.221 1.00 45.01 C ATOM 928 CH2 TRP A 63 -0.236 -16.092 -9.739 1.00 4.03 C ATOM 0 H TRP A 63 3.616 -11.912 -5.239 1.00 73.10 H new ATOM 0 HA TRP A 63 1.365 -13.640 -5.948 1.00 41.32 H new ATOM 0 HB2 TRP A 63 3.851 -13.502 -6.938 1.00 12.15 H new ATOM 0 HB3 TRP A 63 4.201 -14.578 -5.600 1.00 12.15 H new ATOM 0 HD1 TRP A 63 4.288 -16.984 -6.544 1.00 4.13 H new ATOM 0 HE1 TRP A 63 2.872 -18.428 -8.156 1.00 13.20 H new ATOM 0 HE3 TRP A 63 0.885 -13.434 -7.933 1.00 1.21 H new ATOM 0 HZ2 TRP A 63 0.606 -18.057 -9.781 1.00 35.01 H new ATOM 0 HZ3 TRP A 63 -0.886 -14.056 -9.526 1.00 45.01 H new ATOM 0 HH2 TRP A 63 -1.024 -16.338 -10.435 1.00 4.03 H new ATOM 939 N HIS A 64 2.581 -15.506 -4.018 1.00 70.12 N ATOM 940 CA HIS A 64 2.513 -16.273 -2.780 1.00 24.40 C ATOM 941 C HIS A 64 3.586 -15.813 -1.797 1.00 73.34 C ATOM 942 O HIS A 64 4.505 -16.563 -1.470 1.00 20.12 O ATOM 943 CB HIS A 64 2.677 -17.765 -3.069 1.00 34.51 C ATOM 944 CG HIS A 64 1.540 -18.352 -3.849 1.00 42.35 C ATOM 945 ND1 HIS A 64 1.166 -19.676 -3.755 1.00 63.12 N ATOM 946 CD2 HIS A 64 0.693 -17.786 -4.740 1.00 40.20 C ATOM 947 CE1 HIS A 64 0.140 -19.899 -4.555 1.00 41.04 C ATOM 948 NE2 HIS A 64 -0.167 -18.768 -5.164 1.00 51.02 N ATOM 0 H HIS A 64 2.943 -16.027 -4.817 1.00 70.12 H new ATOM 0 HA HIS A 64 1.535 -16.103 -2.330 1.00 24.40 H new ATOM 0 HB2 HIS A 64 3.604 -17.920 -3.621 1.00 34.51 H new ATOM 0 HB3 HIS A 64 2.775 -18.301 -2.125 1.00 34.51 H new ATOM 0 HD1 HIS A 64 1.612 -20.374 -3.160 1.00 63.12 H new ATOM 0 HD2 HIS A 64 0.694 -16.754 -5.058 1.00 40.20 H new ATOM 0 HE1 HIS A 64 -0.363 -20.845 -4.689 1.00 41.04 H new ATOM 957 N GLY A 65 3.462 -14.574 -1.330 1.00 1.13 N ATOM 958 CA GLY A 65 4.429 -14.036 -0.391 1.00 12.25 C ATOM 959 C GLY A 65 5.440 -13.125 -1.058 1.00 25.51 C ATOM 960 O GLY A 65 5.992 -12.228 -0.422 1.00 50.22 O ATOM 0 H GLY A 65 2.710 -13.934 -1.585 1.00 1.13 H new ATOM 0 HA2 GLY A 65 3.905 -13.483 0.389 1.00 12.25 H new ATOM 0 HA3 GLY A 65 4.952 -14.858 0.098 1.00 12.25 H new ATOM 964 N ALA A 66 5.687 -13.359 -2.342 1.00 52.24 N ATOM 965 CA ALA A 66 6.640 -12.552 -3.096 1.00 51.10 C ATOM 966 C ALA A 66 5.956 -11.349 -3.735 1.00 73.22 C ATOM 967 O ALA A 66 4.740 -11.184 -3.629 1.00 41.41 O ATOM 968 CB ALA A 66 7.323 -13.400 -4.159 1.00 51.45 C ATOM 0 H ALA A 66 5.241 -14.100 -2.882 1.00 52.24 H new ATOM 0 HA ALA A 66 7.394 -12.181 -2.402 1.00 51.10 H new ATOM 0 HB1 ALA A 66 8.032 -12.786 -4.715 1.00 51.45 H new ATOM 0 HB2 ALA A 66 7.853 -14.224 -3.682 1.00 51.45 H new ATOM 0 HB3 ALA A 66 6.574 -13.798 -4.843 1.00 51.45 H new ATOM 974 N CYS A 67 6.743 -10.510 -4.400 1.00 10.23 N ATOM 975 CA CYS A 67 6.214 -9.320 -5.056 1.00 44.03 C ATOM 976 C CYS A 67 6.476 -9.365 -6.558 1.00 64.31 C ATOM 977 O CYS A 67 7.537 -8.950 -7.027 1.00 15.44 O ATOM 978 CB CYS A 67 6.840 -8.060 -4.455 1.00 62.51 C ATOM 979 SG CYS A 67 5.911 -6.532 -4.799 1.00 22.04 S ATOM 0 H CYS A 67 7.751 -10.632 -4.499 1.00 10.23 H new ATOM 0 HA CYS A 67 5.136 -9.295 -4.894 1.00 44.03 H new ATOM 0 HB2 CYS A 67 6.922 -8.187 -3.376 1.00 62.51 H new ATOM 0 HB3 CYS A 67 7.853 -7.951 -4.841 1.00 62.51 H new ATOM 984 N ARG A 68 5.503 -9.873 -7.309 1.00 5.13 N ATOM 985 CA ARG A 68 5.629 -9.973 -8.758 1.00 23.02 C ATOM 986 C ARG A 68 6.067 -8.641 -9.358 1.00 71.14 C ATOM 987 O ARG A 68 7.171 -8.519 -9.887 1.00 3.00 O ATOM 988 CB ARG A 68 4.302 -10.413 -9.377 1.00 33.25 C ATOM 989 CG ARG A 68 4.431 -10.901 -10.810 1.00 33.54 C ATOM 990 CD ARG A 68 3.365 -11.935 -11.144 1.00 22.12 C ATOM 991 NE ARG A 68 3.878 -13.299 -11.051 1.00 65.41 N ATOM 992 CZ ARG A 68 3.111 -14.380 -11.136 1.00 63.15 C ATOM 993 NH1 ARG A 68 1.804 -14.257 -11.315 1.00 24.21 N ATOM 994 NH2 ARG A 68 3.653 -15.588 -11.042 1.00 14.11 N ATOM 0 H ARG A 68 4.619 -10.221 -6.937 1.00 5.13 H new ATOM 0 HA ARG A 68 6.391 -10.720 -8.981 1.00 23.02 H new ATOM 0 HB2 ARG A 68 3.873 -11.209 -8.768 1.00 33.25 H new ATOM 0 HB3 ARG A 68 3.603 -9.577 -9.348 1.00 33.25 H new ATOM 0 HG2 ARG A 68 4.346 -10.056 -11.493 1.00 33.54 H new ATOM 0 HG3 ARG A 68 5.420 -11.334 -10.961 1.00 33.54 H new ATOM 0 HD2 ARG A 68 2.521 -11.818 -10.464 1.00 22.12 H new ATOM 0 HD3 ARG A 68 2.990 -11.757 -12.152 1.00 22.12 H new ATOM 0 HE ARG A 68 4.880 -13.429 -10.913 1.00 65.41 H new ATOM 0 HH11 ARG A 68 1.384 -13.330 -11.388 1.00 24.21 H new ATOM 0 HH12 ARG A 68 1.218 -15.089 -11.380 1.00 24.21 H new ATOM 0 HH21 ARG A 68 4.659 -15.686 -10.904 1.00 14.11 H new ATOM 0 HH22 ARG A 68 3.064 -16.418 -11.107 1.00 14.11 H new ATOM 1008 N GLY A 69 5.191 -7.643 -9.275 1.00 70.31 N ATOM 1009 CA GLY A 69 5.505 -6.334 -9.816 1.00 31.32 C ATOM 1010 C GLY A 69 4.647 -5.238 -9.214 1.00 61.34 C ATOM 1011 O GLY A 69 3.892 -5.478 -8.274 1.00 14.40 O ATOM 0 H GLY A 69 4.270 -7.719 -8.843 1.00 70.31 H new ATOM 0 HA2 GLY A 69 6.556 -6.111 -9.633 1.00 31.32 H new ATOM 0 HA3 GLY A 69 5.366 -6.348 -10.897 1.00 31.32 H new ATOM 1015 N ALA A 70 4.766 -4.031 -9.758 1.00 71.30 N ATOM 1016 CA ALA A 70 3.995 -2.895 -9.270 1.00 12.02 C ATOM 1017 C ALA A 70 4.013 -1.746 -10.273 1.00 61.42 C ATOM 1018 O ALA A 70 4.943 -1.620 -11.071 1.00 4.31 O ATOM 1019 CB ALA A 70 4.532 -2.431 -7.924 1.00 45.42 C ATOM 0 H ALA A 70 5.389 -3.815 -10.536 1.00 71.30 H new ATOM 0 HA ALA A 70 2.961 -3.217 -9.145 1.00 12.02 H new ATOM 0 HB1 ALA A 70 3.946 -1.582 -7.572 1.00 45.42 H new ATOM 0 HB2 ALA A 70 4.460 -3.245 -7.203 1.00 45.42 H new ATOM 0 HB3 ALA A 70 5.575 -2.133 -8.032 1.00 45.42 H new ATOM 1025 N LYS A 71 2.981 -0.911 -10.229 1.00 71.14 N ATOM 1026 CA LYS A 71 2.879 0.227 -11.134 1.00 14.41 C ATOM 1027 C LYS A 71 1.971 1.306 -10.550 1.00 65.00 C ATOM 1028 O LYS A 71 0.987 1.004 -9.876 1.00 4.30 O ATOM 1029 CB LYS A 71 2.342 -0.223 -12.496 1.00 32.35 C ATOM 1030 CG LYS A 71 1.027 -0.978 -12.411 1.00 41.34 C ATOM 1031 CD LYS A 71 0.557 -1.434 -13.782 1.00 54.41 C ATOM 1032 CE LYS A 71 -0.955 -1.336 -13.913 1.00 74.34 C ATOM 1033 NZ LYS A 71 -1.360 -0.646 -15.169 1.00 75.34 N ATOM 0 H LYS A 71 2.203 -1.001 -9.576 1.00 71.14 H new ATOM 0 HA LYS A 71 3.877 0.646 -11.264 1.00 14.41 H new ATOM 0 HB2 LYS A 71 2.209 0.652 -13.132 1.00 32.35 H new ATOM 0 HB3 LYS A 71 3.085 -0.857 -12.979 1.00 32.35 H new ATOM 0 HG2 LYS A 71 1.145 -1.844 -11.759 1.00 41.34 H new ATOM 0 HG3 LYS A 71 0.268 -0.339 -11.959 1.00 41.34 H new ATOM 0 HD2 LYS A 71 1.030 -0.824 -14.552 1.00 54.41 H new ATOM 0 HD3 LYS A 71 0.872 -2.463 -13.952 1.00 54.41 H new ATOM 0 HE2 LYS A 71 -1.387 -2.337 -13.893 1.00 74.34 H new ATOM 0 HE3 LYS A 71 -1.359 -0.797 -13.056 1.00 74.34 H new ATOM 0 HZ1 LYS A 71 -2.398 -0.600 -15.221 1.00 75.34 H new ATOM 0 HZ2 LYS A 71 -0.970 0.318 -15.177 1.00 75.34 H new ATOM 0 HZ3 LYS A 71 -0.996 -1.174 -15.988 1.00 75.34 H new ATOM 1047 N ALA A 72 2.309 2.564 -10.816 1.00 1.24 N ATOM 1048 CA ALA A 72 1.523 3.687 -10.319 1.00 22.41 C ATOM 1049 C ALA A 72 0.573 4.208 -11.391 1.00 74.33 C ATOM 1050 O ALA A 72 0.919 4.260 -12.571 1.00 50.14 O ATOM 1051 CB ALA A 72 2.441 4.802 -9.838 1.00 24.40 C ATOM 0 H ALA A 72 3.121 2.831 -11.372 1.00 1.24 H new ATOM 0 HA ALA A 72 0.924 3.336 -9.479 1.00 22.41 H new ATOM 0 HB1 ALA A 72 1.841 5.634 -9.470 1.00 24.40 H new ATOM 0 HB2 ALA A 72 3.076 4.429 -9.035 1.00 24.40 H new ATOM 0 HB3 ALA A 72 3.064 5.142 -10.665 1.00 24.40 H new ATOM 1057 N VAL A 73 -0.630 4.592 -10.974 1.00 22.42 N ATOM 1058 CA VAL A 73 -1.631 5.109 -11.898 1.00 20.50 C ATOM 1059 C VAL A 73 -2.168 6.456 -11.429 1.00 34.32 C ATOM 1060 O VAL A 73 -2.387 6.666 -10.237 1.00 12.13 O ATOM 1061 CB VAL A 73 -2.807 4.127 -12.058 1.00 74.31 C ATOM 1062 CG1 VAL A 73 -3.593 4.436 -13.324 1.00 22.55 C ATOM 1063 CG2 VAL A 73 -2.305 2.691 -12.070 1.00 5.24 C ATOM 0 H VAL A 73 -0.934 4.554 -10.001 1.00 22.42 H new ATOM 0 HA VAL A 73 -1.138 5.234 -12.862 1.00 20.50 H new ATOM 0 HB VAL A 73 -3.475 4.247 -11.205 1.00 74.31 H new ATOM 0 HG11 VAL A 73 -4.420 3.732 -13.420 1.00 22.55 H new ATOM 0 HG12 VAL A 73 -3.986 5.451 -13.270 1.00 22.55 H new ATOM 0 HG13 VAL A 73 -2.938 4.346 -14.190 1.00 22.55 H new ATOM 0 HG21 VAL A 73 -3.149 2.011 -12.184 1.00 5.24 H new ATOM 0 HG22 VAL A 73 -1.614 2.554 -12.902 1.00 5.24 H new ATOM 0 HG23 VAL A 73 -1.791 2.477 -11.133 1.00 5.24 H new ATOM 1073 N GLU A 74 -2.379 7.365 -12.376 1.00 3.00 N ATOM 1074 CA GLU A 74 -2.891 8.693 -12.058 1.00 51.31 C ATOM 1075 C GLU A 74 -4.340 8.840 -12.511 1.00 34.25 C ATOM 1076 O GLU A 74 -4.616 9.047 -13.691 1.00 60.43 O ATOM 1077 CB GLU A 74 -2.027 9.769 -12.721 1.00 2.13 C ATOM 1078 CG GLU A 74 -2.209 9.854 -14.227 1.00 71.00 C ATOM 1079 CD GLU A 74 -0.964 10.346 -14.938 1.00 33.52 C ATOM 1080 OE1 GLU A 74 0.146 10.132 -14.407 1.00 11.44 O ATOM 1081 OE2 GLU A 74 -1.099 10.944 -16.026 1.00 32.33 O ATOM 0 H GLU A 74 -2.204 7.206 -13.368 1.00 3.00 H new ATOM 0 HA GLU A 74 -2.852 8.820 -10.976 1.00 51.31 H new ATOM 0 HB2 GLU A 74 -2.265 10.737 -12.280 1.00 2.13 H new ATOM 0 HB3 GLU A 74 -0.979 9.568 -12.501 1.00 2.13 H new ATOM 0 HG2 GLU A 74 -2.479 8.871 -14.613 1.00 71.00 H new ATOM 0 HG3 GLU A 74 -3.040 10.523 -14.452 1.00 71.00 H new ATOM 1120 N GLU A 78 -6.659 -0.555 -10.999 1.00 54.33 N ATOM 1121 CA GLU A 78 -7.070 -1.898 -11.392 1.00 11.43 C ATOM 1122 C GLU A 78 -6.322 -2.953 -10.583 1.00 61.20 C ATOM 1123 O GLU A 78 -5.096 -3.040 -10.639 1.00 42.02 O ATOM 1124 CB GLU A 78 -6.822 -2.114 -12.886 1.00 62.10 C ATOM 1125 CG GLU A 78 -7.973 -2.800 -13.601 1.00 33.52 C ATOM 1126 CD GLU A 78 -8.064 -2.416 -15.065 1.00 11.22 C ATOM 1127 OE1 GLU A 78 -7.126 -2.739 -15.823 1.00 64.13 O ATOM 1128 OE2 GLU A 78 -9.074 -1.792 -15.453 1.00 4.24 O ATOM 0 HA GLU A 78 -8.136 -1.999 -11.190 1.00 11.43 H new ATOM 0 HB2 GLU A 78 -6.636 -1.149 -13.358 1.00 62.10 H new ATOM 0 HB3 GLU A 78 -5.919 -2.711 -13.013 1.00 62.10 H new ATOM 0 HG2 GLU A 78 -7.854 -3.880 -13.520 1.00 33.52 H new ATOM 0 HG3 GLU A 78 -8.909 -2.544 -13.104 1.00 33.52 H new ATOM 1135 N ALA A 79 -7.070 -3.752 -9.830 1.00 31.43 N ATOM 1136 CA ALA A 79 -6.479 -4.803 -9.010 1.00 52.20 C ATOM 1137 C ALA A 79 -7.553 -5.578 -8.254 1.00 62.41 C ATOM 1138 O ALA A 79 -8.587 -5.023 -7.881 1.00 24.43 O ATOM 1139 CB ALA A 79 -5.471 -4.210 -8.038 1.00 54.21 C ATOM 0 H ALA A 79 -8.086 -3.692 -9.770 1.00 31.43 H new ATOM 0 HA ALA A 79 -5.963 -5.499 -9.671 1.00 52.20 H new ATOM 0 HB1 ALA A 79 -5.038 -5.006 -7.432 1.00 54.21 H new ATOM 0 HB2 ALA A 79 -4.681 -3.707 -8.595 1.00 54.21 H new ATOM 0 HB3 ALA A 79 -5.971 -3.491 -7.389 1.00 54.21 H new ATOM 1145 N ASP A 80 -7.303 -6.864 -8.032 1.00 64.14 N ATOM 1146 CA ASP A 80 -8.248 -7.716 -7.321 1.00 33.04 C ATOM 1147 C ASP A 80 -8.682 -7.068 -6.009 1.00 71.44 C ATOM 1148 O ASP A 80 -9.777 -7.326 -5.511 1.00 32.35 O ATOM 1149 CB ASP A 80 -7.626 -9.085 -7.045 1.00 72.53 C ATOM 1150 CG ASP A 80 -8.365 -10.208 -7.746 1.00 73.54 C ATOM 1151 OD1 ASP A 80 -9.539 -10.004 -8.120 1.00 73.03 O ATOM 1152 OD2 ASP A 80 -7.769 -11.292 -7.922 1.00 41.02 O ATOM 0 H ASP A 80 -6.453 -7.339 -8.335 1.00 64.14 H new ATOM 0 HA ASP A 80 -9.128 -7.846 -7.951 1.00 33.04 H new ATOM 0 HB2 ASP A 80 -6.585 -9.080 -7.370 1.00 72.53 H new ATOM 0 HB3 ASP A 80 -7.624 -9.270 -5.971 1.00 72.53 H new ATOM 1157 N PHE A 81 -7.816 -6.227 -5.456 1.00 10.14 N ATOM 1158 CA PHE A 81 -8.109 -5.543 -4.201 1.00 64.23 C ATOM 1159 C PHE A 81 -7.789 -4.055 -4.305 1.00 43.20 C ATOM 1160 O PHE A 81 -6.625 -3.654 -4.267 1.00 14.11 O ATOM 1161 CB PHE A 81 -7.309 -6.169 -3.056 1.00 35.30 C ATOM 1162 CG PHE A 81 -7.556 -7.641 -2.888 1.00 32.31 C ATOM 1163 CD1 PHE A 81 -8.716 -8.098 -2.284 1.00 31.25 C ATOM 1164 CD2 PHE A 81 -6.627 -8.568 -3.333 1.00 53.12 C ATOM 1165 CE1 PHE A 81 -8.945 -9.452 -2.127 1.00 12.21 C ATOM 1166 CE2 PHE A 81 -6.851 -9.924 -3.180 1.00 11.24 C ATOM 1167 CZ PHE A 81 -8.012 -10.365 -2.577 1.00 24.24 C ATOM 0 H PHE A 81 -6.905 -6.002 -5.856 1.00 10.14 H new ATOM 0 HA PHE A 81 -9.174 -5.654 -3.995 1.00 64.23 H new ATOM 0 HB2 PHE A 81 -6.246 -6.005 -3.234 1.00 35.30 H new ATOM 0 HB3 PHE A 81 -7.560 -5.658 -2.126 1.00 35.30 H new ATOM 0 HD1 PHE A 81 -9.450 -7.388 -1.932 1.00 31.25 H new ATOM 0 HD2 PHE A 81 -5.717 -8.227 -3.805 1.00 53.12 H new ATOM 0 HE1 PHE A 81 -9.853 -9.795 -1.653 1.00 12.21 H new ATOM 0 HE2 PHE A 81 -6.119 -10.636 -3.531 1.00 11.24 H new ATOM 0 HZ PHE A 81 -8.190 -11.423 -2.457 1.00 24.24 H new ATOM 1177 N VAL A 82 -8.831 -3.240 -4.438 1.00 60.23 N ATOM 1178 CA VAL A 82 -8.663 -1.796 -4.547 1.00 42.22 C ATOM 1179 C VAL A 82 -9.192 -1.086 -3.307 1.00 0.24 C ATOM 1180 O VAL A 82 -10.358 -1.239 -2.942 1.00 2.22 O ATOM 1181 CB VAL A 82 -9.382 -1.240 -5.790 1.00 14.21 C ATOM 1182 CG1 VAL A 82 -9.248 0.274 -5.852 1.00 15.31 C ATOM 1183 CG2 VAL A 82 -8.834 -1.883 -7.055 1.00 54.23 C ATOM 0 H VAL A 82 -9.800 -3.556 -4.473 1.00 60.23 H new ATOM 0 HA VAL A 82 -7.593 -1.608 -4.641 1.00 42.22 H new ATOM 0 HB VAL A 82 -10.441 -1.485 -5.715 1.00 14.21 H new ATOM 0 HG11 VAL A 82 -9.762 0.649 -6.737 1.00 15.31 H new ATOM 0 HG12 VAL A 82 -9.692 0.715 -4.960 1.00 15.31 H new ATOM 0 HG13 VAL A 82 -8.193 0.544 -5.904 1.00 15.31 H new ATOM 0 HG21 VAL A 82 -9.354 -1.478 -7.923 1.00 54.23 H new ATOM 0 HG22 VAL A 82 -7.768 -1.671 -7.139 1.00 54.23 H new ATOM 0 HG23 VAL A 82 -8.987 -2.961 -7.011 1.00 54.23 H new ATOM 1193 N ILE A 83 -8.328 -0.308 -2.663 1.00 3.32 N ATOM 1194 CA ILE A 83 -8.709 0.428 -1.463 1.00 33.10 C ATOM 1195 C ILE A 83 -8.657 1.933 -1.701 1.00 61.15 C ATOM 1196 O ILE A 83 -7.621 2.473 -2.090 1.00 20.25 O ATOM 1197 CB ILE A 83 -7.798 0.075 -0.273 1.00 32.32 C ATOM 1198 CG1 ILE A 83 -7.546 -1.433 -0.225 1.00 30.14 C ATOM 1199 CG2 ILE A 83 -8.420 0.556 1.030 1.00 44.01 C ATOM 1200 CD1 ILE A 83 -8.814 -2.257 -0.203 1.00 74.43 C ATOM 0 H ILE A 83 -7.359 -0.171 -2.952 1.00 3.32 H new ATOM 0 HA ILE A 83 -9.732 0.136 -1.225 1.00 33.10 H new ATOM 0 HB ILE A 83 -6.841 0.580 -0.404 1.00 32.32 H new ATOM 0 HG12 ILE A 83 -6.950 -1.721 -1.091 1.00 30.14 H new ATOM 0 HG13 ILE A 83 -6.955 -1.666 0.661 1.00 30.14 H new ATOM 0 HG21 ILE A 83 -7.765 0.299 1.862 1.00 44.01 H new ATOM 0 HG22 ILE A 83 -8.553 1.637 0.993 1.00 44.01 H new ATOM 0 HG23 ILE A 83 -9.389 0.076 1.170 1.00 44.01 H new ATOM 0 HD11 ILE A 83 -8.559 -3.316 -0.169 1.00 74.43 H new ATOM 0 HD12 ILE A 83 -9.402 -1.997 0.677 1.00 74.43 H new ATOM 0 HD13 ILE A 83 -9.396 -2.053 -1.101 1.00 74.43 H new ATOM 1212 N GLU A 84 -9.780 2.603 -1.465 1.00 44.50 N ATOM 1213 CA GLU A 84 -9.860 4.048 -1.653 1.00 70.23 C ATOM 1214 C GLU A 84 -10.007 4.763 -0.313 1.00 51.42 C ATOM 1215 O GLU A 84 -10.860 4.412 0.500 1.00 73.31 O ATOM 1216 CB GLU A 84 -11.037 4.401 -2.564 1.00 60.55 C ATOM 1217 CG GLU A 84 -11.498 5.843 -2.432 1.00 30.33 C ATOM 1218 CD GLU A 84 -11.780 6.491 -3.773 1.00 25.11 C ATOM 1219 OE1 GLU A 84 -12.820 6.166 -4.383 1.00 42.04 O ATOM 1220 OE2 GLU A 84 -10.958 7.323 -4.213 1.00 54.33 O ATOM 0 H GLU A 84 -10.646 2.170 -1.144 1.00 44.50 H new ATOM 0 HA GLU A 84 -8.934 4.380 -2.123 1.00 70.23 H new ATOM 0 HB2 GLU A 84 -10.753 4.212 -3.599 1.00 60.55 H new ATOM 0 HB3 GLU A 84 -11.873 3.739 -2.337 1.00 60.55 H new ATOM 0 HG2 GLU A 84 -12.399 5.878 -1.819 1.00 30.33 H new ATOM 0 HG3 GLU A 84 -10.734 6.418 -1.908 1.00 30.33 H new ATOM 1227 N ALA A 85 -9.168 5.770 -0.092 1.00 21.05 N ATOM 1228 CA ALA A 85 -9.204 6.536 1.147 1.00 31.14 C ATOM 1229 C ALA A 85 -8.487 7.873 0.988 1.00 64.41 C ATOM 1230 O ALA A 85 -7.737 8.074 0.034 1.00 4.52 O ATOM 1231 CB ALA A 85 -8.584 5.734 2.282 1.00 11.14 C ATOM 0 H ALA A 85 -8.455 6.074 -0.755 1.00 21.05 H new ATOM 0 HA ALA A 85 -10.247 6.740 1.388 1.00 31.14 H new ATOM 0 HB1 ALA A 85 -8.618 6.319 3.201 1.00 11.14 H new ATOM 0 HB2 ALA A 85 -9.142 4.808 2.420 1.00 11.14 H new ATOM 0 HB3 ALA A 85 -7.548 5.500 2.039 1.00 11.14 H new ATOM 1237 N ASP A 86 -8.723 8.781 1.928 1.00 74.20 N ATOM 1238 CA ASP A 86 -8.099 10.099 1.891 1.00 34.24 C ATOM 1239 C ASP A 86 -6.595 9.994 2.121 1.00 50.13 C ATOM 1240 O ASP A 86 -6.143 9.347 3.067 1.00 41.43 O ATOM 1241 CB ASP A 86 -8.725 11.013 2.947 1.00 75.31 C ATOM 1242 CG ASP A 86 -10.193 11.283 2.680 1.00 32.34 C ATOM 1243 OD1 ASP A 86 -11.037 10.481 3.135 1.00 25.52 O ATOM 1244 OD2 ASP A 86 -10.499 12.297 2.020 1.00 75.51 O ATOM 0 H ASP A 86 -9.341 8.629 2.725 1.00 74.20 H new ATOM 0 HA ASP A 86 -8.269 10.527 0.903 1.00 34.24 H new ATOM 0 HB2 ASP A 86 -8.615 10.556 3.930 1.00 75.31 H new ATOM 0 HB3 ASP A 86 -8.183 11.958 2.973 1.00 75.31 H new ATOM 1249 N LEU A 87 -5.823 10.632 1.247 1.00 31.23 N ATOM 1250 CA LEU A 87 -4.368 10.610 1.353 1.00 42.12 C ATOM 1251 C LEU A 87 -3.926 10.711 2.809 1.00 53.31 C ATOM 1252 O LEU A 87 -3.083 9.941 3.267 1.00 1.44 O ATOM 1253 CB LEU A 87 -3.761 11.757 0.543 1.00 64.51 C ATOM 1254 CG LEU A 87 -2.325 12.143 0.899 1.00 72.13 C ATOM 1255 CD1 LEU A 87 -1.371 11.001 0.581 1.00 13.51 C ATOM 1256 CD2 LEU A 87 -1.913 13.407 0.157 1.00 73.23 C ATOM 0 H LEU A 87 -6.180 11.170 0.458 1.00 31.23 H new ATOM 0 HA LEU A 87 -4.013 9.661 0.950 1.00 42.12 H new ATOM 0 HB2 LEU A 87 -3.792 11.486 -0.512 1.00 64.51 H new ATOM 0 HB3 LEU A 87 -4.393 12.636 0.665 1.00 64.51 H new ATOM 0 HG LEU A 87 -2.277 12.342 1.970 1.00 72.13 H new ATOM 0 HD11 LEU A 87 -0.354 11.294 0.841 1.00 13.51 H new ATOM 0 HD12 LEU A 87 -1.653 10.120 1.157 1.00 13.51 H new ATOM 0 HD13 LEU A 87 -1.422 10.770 -0.483 1.00 13.51 H new ATOM 0 HD21 LEU A 87 -0.888 13.667 0.422 1.00 73.23 H new ATOM 0 HD22 LEU A 87 -1.977 13.235 -0.917 1.00 73.23 H new ATOM 0 HD23 LEU A 87 -2.578 14.225 0.434 1.00 73.23 H new ATOM 1268 N ALA A 88 -4.504 11.665 3.533 1.00 63.23 N ATOM 1269 CA ALA A 88 -4.172 11.864 4.938 1.00 51.21 C ATOM 1270 C ALA A 88 -4.221 10.547 5.705 1.00 64.20 C ATOM 1271 O ALA A 88 -3.296 10.213 6.447 1.00 14.53 O ATOM 1272 CB ALA A 88 -5.119 12.877 5.565 1.00 40.22 C ATOM 0 H ALA A 88 -5.204 12.311 3.169 1.00 63.23 H new ATOM 0 HA ALA A 88 -3.154 12.250 4.995 1.00 51.21 H new ATOM 0 HB1 ALA A 88 -4.860 13.016 6.615 1.00 40.22 H new ATOM 0 HB2 ALA A 88 -5.033 13.829 5.041 1.00 40.22 H new ATOM 0 HB3 ALA A 88 -6.144 12.513 5.490 1.00 40.22 H new ATOM 1278 N THR A 89 -5.305 9.801 5.523 1.00 33.41 N ATOM 1279 CA THR A 89 -5.476 8.521 6.199 1.00 3.32 C ATOM 1280 C THR A 89 -4.393 7.532 5.784 1.00 32.22 C ATOM 1281 O THR A 89 -3.804 6.853 6.626 1.00 64.14 O ATOM 1282 CB THR A 89 -6.857 7.907 5.902 1.00 44.04 C ATOM 1283 OG1 THR A 89 -7.892 8.777 6.374 1.00 3.11 O ATOM 1284 CG2 THR A 89 -6.996 6.542 6.559 1.00 5.45 C ATOM 0 H THR A 89 -6.079 10.061 4.912 1.00 33.41 H new ATOM 0 HA THR A 89 -5.397 8.716 7.268 1.00 3.32 H new ATOM 0 HB THR A 89 -6.950 7.784 4.823 1.00 44.04 H new ATOM 0 HG1 THR A 89 -8.767 8.380 6.180 1.00 3.11 H new ATOM 0 HG21 THR A 89 -7.979 6.129 6.335 1.00 5.45 H new ATOM 0 HG22 THR A 89 -6.225 5.873 6.175 1.00 5.45 H new ATOM 0 HG23 THR A 89 -6.883 6.644 7.638 1.00 5.45 H new ATOM 1292 N TRP A 90 -4.135 7.455 4.484 1.00 51.43 N ATOM 1293 CA TRP A 90 -3.121 6.548 3.957 1.00 11.03 C ATOM 1294 C TRP A 90 -1.758 6.840 4.575 1.00 71.44 C ATOM 1295 O TRP A 90 -1.051 5.924 4.996 1.00 45.22 O ATOM 1296 CB TRP A 90 -3.041 6.668 2.434 1.00 33.45 C ATOM 1297 CG TRP A 90 -4.129 5.923 1.723 1.00 60.52 C ATOM 1298 CD1 TRP A 90 -5.064 6.446 0.877 1.00 52.24 C ATOM 1299 CD2 TRP A 90 -4.395 4.518 1.797 1.00 63.31 C ATOM 1300 NE1 TRP A 90 -5.895 5.452 0.420 1.00 72.14 N ATOM 1301 CE2 TRP A 90 -5.505 4.259 0.969 1.00 33.11 C ATOM 1302 CE3 TRP A 90 -3.802 3.452 2.480 1.00 74.43 C ATOM 1303 CZ2 TRP A 90 -6.033 2.981 0.808 1.00 21.23 C ATOM 1304 CZ3 TRP A 90 -4.328 2.184 2.319 1.00 23.24 C ATOM 1305 CH2 TRP A 90 -5.433 1.957 1.489 1.00 21.25 C ATOM 0 H TRP A 90 -4.614 8.010 3.775 1.00 51.43 H new ATOM 0 HA TRP A 90 -3.408 5.530 4.219 1.00 11.03 H new ATOM 0 HB2 TRP A 90 -3.090 7.721 2.156 1.00 33.45 H new ATOM 0 HB3 TRP A 90 -2.074 6.294 2.097 1.00 33.45 H new ATOM 0 HD1 TRP A 90 -5.139 7.489 0.606 1.00 52.24 H new ATOM 0 HE1 TRP A 90 -6.676 5.581 -0.224 1.00 72.14 H new ATOM 0 HE3 TRP A 90 -2.949 3.616 3.121 1.00 74.43 H new ATOM 0 HZ2 TRP A 90 -6.885 2.804 0.169 1.00 21.23 H new ATOM 0 HZ3 TRP A 90 -3.879 1.353 2.843 1.00 23.24 H new ATOM 0 HH2 TRP A 90 -5.819 0.954 1.384 1.00 21.25 H new ATOM 1316 N GLN A 91 -1.396 8.117 4.625 1.00 65.34 N ATOM 1317 CA GLN A 91 -0.115 8.527 5.190 1.00 33.35 C ATOM 1318 C GLN A 91 0.092 7.910 6.569 1.00 21.42 C ATOM 1319 O GLN A 91 1.058 7.182 6.795 1.00 50.33 O ATOM 1320 CB GLN A 91 -0.040 10.052 5.283 1.00 24.11 C ATOM 1321 CG GLN A 91 0.114 10.736 3.935 1.00 13.14 C ATOM 1322 CD GLN A 91 0.810 12.079 4.039 1.00 45.15 C ATOM 1323 OE1 GLN A 91 1.582 12.322 4.968 1.00 72.12 O ATOM 1324 NE2 GLN A 91 0.542 12.960 3.082 1.00 12.34 N ATOM 0 H GLN A 91 -1.971 8.886 4.281 1.00 65.34 H new ATOM 0 HA GLN A 91 0.677 8.172 4.530 1.00 33.35 H new ATOM 0 HB2 GLN A 91 -0.943 10.423 5.768 1.00 24.11 H new ATOM 0 HB3 GLN A 91 0.801 10.328 5.919 1.00 24.11 H new ATOM 0 HG2 GLN A 91 0.680 10.088 3.266 1.00 13.14 H new ATOM 0 HG3 GLN A 91 -0.870 10.875 3.487 1.00 13.14 H new ATOM 0 HE21 GLN A 91 -0.104 12.717 2.331 1.00 12.34 H new ATOM 0 HE22 GLN A 91 0.982 13.880 3.098 1.00 12.34 H new ATOM 1333 N GLU A 92 -0.822 8.206 7.489 1.00 51.22 N ATOM 1334 CA GLU A 92 -0.737 7.682 8.847 1.00 70.45 C ATOM 1335 C GLU A 92 -0.277 6.226 8.839 1.00 53.10 C ATOM 1336 O GLU A 92 0.627 5.845 9.582 1.00 4.22 O ATOM 1337 CB GLU A 92 -2.093 7.797 9.546 1.00 21.24 C ATOM 1338 CG GLU A 92 -2.809 9.108 9.275 1.00 61.03 C ATOM 1339 CD GLU A 92 -3.714 9.528 10.417 1.00 64.43 C ATOM 1340 OE1 GLU A 92 -3.191 9.820 11.512 1.00 12.31 O ATOM 1341 OE2 GLU A 92 -4.946 9.561 10.215 1.00 13.51 O ATOM 0 H GLU A 92 -1.629 8.806 7.318 1.00 51.22 H new ATOM 0 HA GLU A 92 -0.003 8.274 9.394 1.00 70.45 H new ATOM 0 HB2 GLU A 92 -2.729 6.972 9.224 1.00 21.24 H new ATOM 0 HB3 GLU A 92 -1.948 7.687 10.621 1.00 21.24 H new ATOM 0 HG2 GLU A 92 -2.071 9.890 9.095 1.00 61.03 H new ATOM 0 HG3 GLU A 92 -3.400 9.013 8.364 1.00 61.03 H new ATOM 1348 N VAL A 93 -0.909 5.417 7.994 1.00 30.42 N ATOM 1349 CA VAL A 93 -0.566 4.003 7.890 1.00 42.23 C ATOM 1350 C VAL A 93 0.918 3.819 7.593 1.00 44.13 C ATOM 1351 O VAL A 93 1.625 3.116 8.317 1.00 71.30 O ATOM 1352 CB VAL A 93 -1.389 3.307 6.790 1.00 64.31 C ATOM 1353 CG1 VAL A 93 -0.995 1.841 6.675 1.00 3.45 C ATOM 1354 CG2 VAL A 93 -2.877 3.446 7.069 1.00 43.31 C ATOM 0 H VAL A 93 -1.660 5.716 7.372 1.00 30.42 H new ATOM 0 HA VAL A 93 -0.800 3.547 8.852 1.00 42.23 H new ATOM 0 HB VAL A 93 -1.174 3.793 5.838 1.00 64.31 H new ATOM 0 HG11 VAL A 93 -1.587 1.365 5.893 1.00 3.45 H new ATOM 0 HG12 VAL A 93 0.063 1.767 6.425 1.00 3.45 H new ATOM 0 HG13 VAL A 93 -1.179 1.339 7.625 1.00 3.45 H new ATOM 0 HG21 VAL A 93 -3.443 2.948 6.282 1.00 43.31 H new ATOM 0 HG22 VAL A 93 -3.111 2.987 8.030 1.00 43.31 H new ATOM 0 HG23 VAL A 93 -3.145 4.502 7.096 1.00 43.31 H new ATOM 1364 N LEU A 94 1.386 4.455 6.525 1.00 10.02 N ATOM 1365 CA LEU A 94 2.788 4.362 6.132 1.00 1.01 C ATOM 1366 C LEU A 94 3.698 4.909 7.227 1.00 41.45 C ATOM 1367 O LEU A 94 4.808 4.419 7.425 1.00 1.25 O ATOM 1368 CB LEU A 94 3.024 5.125 4.827 1.00 33.22 C ATOM 1369 CG LEU A 94 3.342 4.272 3.599 1.00 10.40 C ATOM 1370 CD1 LEU A 94 2.740 4.893 2.348 1.00 52.43 C ATOM 1371 CD2 LEU A 94 4.846 4.103 3.442 1.00 21.33 C ATOM 0 H LEU A 94 0.815 5.041 5.915 1.00 10.02 H new ATOM 0 HA LEU A 94 3.028 3.310 5.979 1.00 1.01 H new ATOM 0 HB2 LEU A 94 2.136 5.720 4.612 1.00 33.22 H new ATOM 0 HB3 LEU A 94 3.846 5.824 4.982 1.00 33.22 H new ATOM 0 HG LEU A 94 2.899 3.286 3.740 1.00 10.40 H new ATOM 0 HD11 LEU A 94 2.976 4.272 1.484 1.00 52.43 H new ATOM 0 HD12 LEU A 94 1.658 4.962 2.460 1.00 52.43 H new ATOM 0 HD13 LEU A 94 3.154 5.891 2.202 1.00 52.43 H new ATOM 0 HD21 LEU A 94 5.054 3.493 2.563 1.00 21.33 H new ATOM 0 HD22 LEU A 94 5.312 5.081 3.323 1.00 21.33 H new ATOM 0 HD23 LEU A 94 5.251 3.613 4.327 1.00 21.33 H new ATOM 1383 N GLU A 95 3.217 5.927 7.935 1.00 42.23 N ATOM 1384 CA GLU A 95 3.987 6.540 9.010 1.00 45.22 C ATOM 1385 C GLU A 95 4.165 5.570 10.173 1.00 25.53 C ATOM 1386 O GLU A 95 4.875 5.859 11.135 1.00 3.34 O ATOM 1387 CB GLU A 95 3.299 7.817 9.497 1.00 65.25 C ATOM 1388 CG GLU A 95 3.309 8.942 8.475 1.00 21.21 C ATOM 1389 CD GLU A 95 4.138 10.130 8.923 1.00 54.00 C ATOM 1390 OE1 GLU A 95 3.923 10.611 10.055 1.00 43.23 O ATOM 1391 OE2 GLU A 95 5.002 10.578 8.140 1.00 21.22 O ATOM 0 H GLU A 95 2.298 6.344 7.783 1.00 42.23 H new ATOM 0 HA GLU A 95 4.972 6.794 8.617 1.00 45.22 H new ATOM 0 HB2 GLU A 95 2.267 7.586 9.760 1.00 65.25 H new ATOM 0 HB3 GLU A 95 3.791 8.160 10.407 1.00 65.25 H new ATOM 0 HG2 GLU A 95 3.701 8.566 7.530 1.00 21.21 H new ATOM 0 HG3 GLU A 95 2.286 9.268 8.289 1.00 21.21 H new ATOM 1398 N GLY A 96 3.511 4.415 10.078 1.00 5.22 N ATOM 1399 CA GLY A 96 3.609 3.419 11.130 1.00 43.13 C ATOM 1400 C GLY A 96 2.708 3.730 12.309 1.00 64.23 C ATOM 1401 O GLY A 96 2.506 2.887 13.183 1.00 42.54 O ATOM 0 H GLY A 96 2.916 4.152 9.292 1.00 5.22 H new ATOM 0 HA2 GLY A 96 3.348 2.441 10.726 1.00 43.13 H new ATOM 0 HA3 GLY A 96 4.642 3.357 11.472 1.00 43.13 H new ATOM 1405 N ARG A 97 2.168 4.944 12.333 1.00 35.41 N ATOM 1406 CA ARG A 97 1.287 5.365 13.415 1.00 34.13 C ATOM 1407 C ARG A 97 -0.074 4.682 13.306 1.00 64.01 C ATOM 1408 O ARG A 97 -0.742 4.440 14.312 1.00 4.35 O ATOM 1409 CB ARG A 97 1.109 6.884 13.396 1.00 51.20 C ATOM 1410 CG ARG A 97 2.375 7.650 13.748 1.00 34.14 C ATOM 1411 CD ARG A 97 2.189 8.481 15.007 1.00 0.31 C ATOM 1412 NE ARG A 97 1.939 9.888 14.703 1.00 73.30 N ATOM 1413 CZ ARG A 97 1.924 10.848 15.621 1.00 33.44 C ATOM 1414 NH1 ARG A 97 2.144 10.554 16.896 1.00 50.12 N ATOM 1415 NH2 ARG A 97 1.688 12.104 15.266 1.00 44.42 N ATOM 0 H ARG A 97 2.325 5.652 11.616 1.00 35.41 H new ATOM 0 HA ARG A 97 1.748 5.072 14.358 1.00 34.13 H new ATOM 0 HB2 ARG A 97 0.773 7.190 12.405 1.00 51.20 H new ATOM 0 HB3 ARG A 97 0.322 7.158 14.098 1.00 51.20 H new ATOM 0 HG2 ARG A 97 3.198 6.950 13.891 1.00 34.14 H new ATOM 0 HG3 ARG A 97 2.651 8.301 12.918 1.00 34.14 H new ATOM 0 HD2 ARG A 97 1.356 8.082 15.585 1.00 0.31 H new ATOM 0 HD3 ARG A 97 3.079 8.398 15.631 1.00 0.31 H new ATOM 0 HE ARG A 97 1.766 10.148 13.732 1.00 73.30 H new ATOM 0 HH11 ARG A 97 2.325 9.589 17.173 1.00 50.12 H new ATOM 0 HH12 ARG A 97 2.132 11.293 17.599 1.00 50.12 H new ATOM 0 HH21 ARG A 97 1.518 12.334 14.287 1.00 44.42 H new ATOM 0 HH22 ARG A 97 1.677 12.840 15.972 1.00 44.42 H new ATOM 1429 N LEU A 98 -0.478 4.375 12.079 1.00 75.15 N ATOM 1430 CA LEU A 98 -1.760 3.720 11.837 1.00 20.00 C ATOM 1431 C LEU A 98 -1.557 2.329 11.246 1.00 62.33 C ATOM 1432 O LEU A 98 -0.455 1.978 10.825 1.00 60.53 O ATOM 1433 CB LEU A 98 -2.618 4.567 10.896 1.00 51.23 C ATOM 1434 CG LEU A 98 -3.599 5.530 11.565 1.00 41.21 C ATOM 1435 CD1 LEU A 98 -4.893 4.814 11.917 1.00 13.34 C ATOM 1436 CD2 LEU A 98 -2.974 6.150 12.807 1.00 34.40 C ATOM 0 H LEU A 98 0.063 4.569 11.236 1.00 75.15 H new ATOM 0 HA LEU A 98 -2.274 3.617 12.793 1.00 20.00 H new ATOM 0 HB2 LEU A 98 -1.954 5.145 10.253 1.00 51.23 H new ATOM 0 HB3 LEU A 98 -3.183 3.896 10.249 1.00 51.23 H new ATOM 0 HG LEU A 98 -3.831 6.330 10.862 1.00 41.21 H new ATOM 0 HD11 LEU A 98 -5.579 5.515 12.392 1.00 13.34 H new ATOM 0 HD12 LEU A 98 -5.349 4.419 11.009 1.00 13.34 H new ATOM 0 HD13 LEU A 98 -4.680 3.994 12.602 1.00 13.34 H new ATOM 0 HD21 LEU A 98 -3.686 6.833 13.271 1.00 34.40 H new ATOM 0 HD22 LEU A 98 -2.713 5.363 13.514 1.00 34.40 H new ATOM 0 HD23 LEU A 98 -2.075 6.699 12.527 1.00 34.40 H new ATOM 1448 N GLU A 99 -2.629 1.542 11.216 1.00 41.44 N ATOM 1449 CA GLU A 99 -2.568 0.190 10.675 1.00 62.35 C ATOM 1450 C GLU A 99 -3.408 0.073 9.407 1.00 54.32 C ATOM 1451 O GLU A 99 -4.470 0.682 9.277 1.00 54.22 O ATOM 1452 CB GLU A 99 -3.051 -0.822 11.715 1.00 45.01 C ATOM 1453 CG GLU A 99 -1.935 -1.668 12.305 1.00 20.53 C ATOM 1454 CD GLU A 99 -1.950 -1.680 13.821 1.00 32.35 C ATOM 1455 OE1 GLU A 99 -2.897 -2.252 14.401 1.00 71.23 O ATOM 1456 OE2 GLU A 99 -1.016 -1.117 14.428 1.00 42.31 O ATOM 0 H GLU A 99 -3.549 1.818 11.560 1.00 41.44 H new ATOM 0 HA GLU A 99 -1.530 -0.026 10.424 1.00 62.35 H new ATOM 0 HB2 GLU A 99 -3.556 -0.289 12.521 1.00 45.01 H new ATOM 0 HB3 GLU A 99 -3.789 -1.479 11.255 1.00 45.01 H new ATOM 0 HG2 GLU A 99 -2.025 -2.690 11.937 1.00 20.53 H new ATOM 0 HG3 GLU A 99 -0.974 -1.288 11.958 1.00 20.53 H new ATOM 1463 N PRO A 100 -2.924 -0.729 8.447 1.00 43.11 N ATOM 1464 CA PRO A 100 -3.614 -0.946 7.172 1.00 13.31 C ATOM 1465 C PRO A 100 -4.895 -1.755 7.337 1.00 14.40 C ATOM 1466 O PRO A 100 -5.917 -1.453 6.717 1.00 31.13 O ATOM 1467 CB PRO A 100 -2.591 -1.726 6.343 1.00 73.43 C ATOM 1468 CG PRO A 100 -1.732 -2.410 7.348 1.00 24.34 C ATOM 1469 CD PRO A 100 -1.664 -1.487 8.533 1.00 11.10 C ATOM 0 HA PRO A 100 -3.928 -0.008 6.713 1.00 13.31 H new ATOM 0 HB2 PRO A 100 -3.080 -2.445 5.685 1.00 73.43 H new ATOM 0 HB3 PRO A 100 -2.005 -1.061 5.709 1.00 73.43 H new ATOM 0 HG2 PRO A 100 -2.153 -3.375 7.629 1.00 24.34 H new ATOM 0 HG3 PRO A 100 -0.737 -2.602 6.945 1.00 24.34 H new ATOM 0 HD2 PRO A 100 -1.591 -2.040 9.469 1.00 11.10 H new ATOM 0 HD3 PRO A 100 -0.796 -0.830 8.482 1.00 11.10 H new ATOM 1477 N LEU A 101 -4.836 -2.783 8.176 1.00 32.22 N ATOM 1478 CA LEU A 101 -5.993 -3.637 8.422 1.00 11.45 C ATOM 1479 C LEU A 101 -6.965 -2.970 9.391 1.00 52.13 C ATOM 1480 O LEU A 101 -8.176 -2.972 9.170 1.00 42.42 O ATOM 1481 CB LEU A 101 -5.545 -4.988 8.983 1.00 21.22 C ATOM 1482 CG LEU A 101 -5.250 -6.078 7.952 1.00 0.43 C ATOM 1483 CD1 LEU A 101 -6.542 -6.717 7.468 1.00 72.25 C ATOM 1484 CD2 LEU A 101 -4.465 -5.506 6.781 1.00 3.42 C ATOM 0 H LEU A 101 -4.000 -3.046 8.697 1.00 32.22 H new ATOM 0 HA LEU A 101 -6.505 -3.796 7.473 1.00 11.45 H new ATOM 0 HB2 LEU A 101 -4.648 -4.831 9.583 1.00 21.22 H new ATOM 0 HB3 LEU A 101 -6.319 -5.354 9.657 1.00 21.22 H new ATOM 0 HG LEU A 101 -4.643 -6.848 8.429 1.00 0.43 H new ATOM 0 HD11 LEU A 101 -6.313 -7.490 6.735 1.00 72.25 H new ATOM 0 HD12 LEU A 101 -7.067 -7.162 8.313 1.00 72.25 H new ATOM 0 HD13 LEU A 101 -7.174 -5.957 7.008 1.00 72.25 H new ATOM 0 HD21 LEU A 101 -4.264 -6.296 6.057 1.00 3.42 H new ATOM 0 HD22 LEU A 101 -5.046 -4.716 6.304 1.00 3.42 H new ATOM 0 HD23 LEU A 101 -3.522 -5.095 7.141 1.00 3.42 H new ATOM 1496 N SER A 102 -6.426 -2.398 10.463 1.00 42.55 N ATOM 1497 CA SER A 102 -7.246 -1.728 11.465 1.00 14.32 C ATOM 1498 C SER A 102 -7.909 -0.484 10.882 1.00 3.31 C ATOM 1499 O SER A 102 -9.080 -0.211 11.141 1.00 73.43 O ATOM 1500 CB SER A 102 -6.395 -1.345 12.678 1.00 71.23 C ATOM 1501 OG SER A 102 -7.198 -1.191 13.835 1.00 3.34 O ATOM 0 H SER A 102 -5.425 -2.385 10.660 1.00 42.55 H new ATOM 0 HA SER A 102 -8.027 -2.420 11.781 1.00 14.32 H new ATOM 0 HB2 SER A 102 -5.641 -2.112 12.854 1.00 71.23 H new ATOM 0 HB3 SER A 102 -5.863 -0.416 12.474 1.00 71.23 H new ATOM 0 HG SER A 102 -6.631 -0.948 14.597 1.00 3.34 H new ATOM 1507 N ALA A 103 -7.148 0.269 10.093 1.00 15.12 N ATOM 1508 CA ALA A 103 -7.661 1.483 9.471 1.00 4.42 C ATOM 1509 C ALA A 103 -8.856 1.179 8.575 1.00 32.22 C ATOM 1510 O ALA A 103 -9.763 2.001 8.431 1.00 61.24 O ATOM 1511 CB ALA A 103 -6.563 2.172 8.675 1.00 45.13 C ATOM 0 H ALA A 103 -6.175 0.059 9.870 1.00 15.12 H new ATOM 0 HA ALA A 103 -7.996 2.153 10.262 1.00 4.42 H new ATOM 0 HB1 ALA A 103 -6.960 3.077 8.216 1.00 45.13 H new ATOM 0 HB2 ALA A 103 -5.740 2.433 9.341 1.00 45.13 H new ATOM 0 HB3 ALA A 103 -6.201 1.500 7.897 1.00 45.13 H new ATOM 1517 N LEU A 104 -8.853 -0.006 7.974 1.00 44.25 N ATOM 1518 CA LEU A 104 -9.936 -0.419 7.090 1.00 53.20 C ATOM 1519 C LEU A 104 -11.123 -0.943 7.892 1.00 13.42 C ATOM 1520 O LEU A 104 -12.272 -0.821 7.470 1.00 35.00 O ATOM 1521 CB LEU A 104 -9.447 -1.496 6.119 1.00 14.54 C ATOM 1522 CG LEU A 104 -9.949 -2.916 6.385 1.00 64.24 C ATOM 1523 CD1 LEU A 104 -11.331 -3.116 5.784 1.00 11.52 C ATOM 1524 CD2 LEU A 104 -8.969 -3.939 5.828 1.00 55.22 C ATOM 0 H LEU A 104 -8.112 -0.698 8.083 1.00 44.25 H new ATOM 0 HA LEU A 104 -10.260 0.453 6.522 1.00 53.20 H new ATOM 0 HB2 LEU A 104 -9.744 -1.210 5.110 1.00 14.54 H new ATOM 0 HB3 LEU A 104 -8.357 -1.507 6.139 1.00 14.54 H new ATOM 0 HG LEU A 104 -10.022 -3.060 7.463 1.00 64.24 H new ATOM 0 HD11 LEU A 104 -11.671 -4.132 5.984 1.00 11.52 H new ATOM 0 HD12 LEU A 104 -12.028 -2.406 6.230 1.00 11.52 H new ATOM 0 HD13 LEU A 104 -11.286 -2.953 4.707 1.00 11.52 H new ATOM 0 HD21 LEU A 104 -9.341 -4.944 6.026 1.00 55.22 H new ATOM 0 HD22 LEU A 104 -8.865 -3.795 4.753 1.00 55.22 H new ATOM 0 HD23 LEU A 104 -7.998 -3.811 6.307 1.00 55.22 H new ATOM 1536 N MET A 105 -10.836 -1.523 9.052 1.00 13.13 N ATOM 1537 CA MET A 105 -11.881 -2.062 9.915 1.00 32.23 C ATOM 1538 C MET A 105 -12.458 -0.974 10.816 1.00 0.01 C ATOM 1539 O MET A 105 -13.587 -1.084 11.293 1.00 14.14 O ATOM 1540 CB MET A 105 -11.329 -3.206 10.768 1.00 2.25 C ATOM 1541 CG MET A 105 -11.099 -4.490 9.988 1.00 55.32 C ATOM 1542 SD MET A 105 -11.879 -5.921 10.761 1.00 40.44 S ATOM 1543 CE MET A 105 -13.339 -6.104 9.739 1.00 62.23 C ATOM 0 H MET A 105 -9.890 -1.632 9.416 1.00 13.13 H new ATOM 0 HA MET A 105 -12.680 -2.445 9.280 1.00 32.23 H new ATOM 0 HB2 MET A 105 -10.388 -2.891 11.219 1.00 2.25 H new ATOM 0 HB3 MET A 105 -12.022 -3.406 11.585 1.00 2.25 H new ATOM 0 HG2 MET A 105 -11.488 -4.371 8.977 1.00 55.32 H new ATOM 0 HG3 MET A 105 -10.028 -4.669 9.898 1.00 55.32 H new ATOM 0 HE1 MET A 105 -14.196 -6.343 10.368 1.00 62.23 H new ATOM 0 HE2 MET A 105 -13.529 -5.172 9.206 1.00 62.23 H new ATOM 0 HE3 MET A 105 -13.181 -6.908 9.020 1.00 62.23 H new ATOM 1553 N ARG A 106 -11.675 0.075 11.045 1.00 64.25 N ATOM 1554 CA ARG A 106 -12.107 1.182 11.889 1.00 42.32 C ATOM 1555 C ARG A 106 -13.079 2.089 11.140 1.00 71.21 C ATOM 1556 O ARG A 106 -13.809 2.871 11.749 1.00 4.52 O ATOM 1557 CB ARG A 106 -10.899 1.992 12.363 1.00 52.41 C ATOM 1558 CG ARG A 106 -10.266 1.454 13.636 1.00 52.33 C ATOM 1559 CD ARG A 106 -9.388 2.499 14.306 1.00 4.53 C ATOM 1560 NE ARG A 106 -10.079 3.174 15.402 1.00 62.03 N ATOM 1561 CZ ARG A 106 -10.537 2.545 16.479 1.00 42.45 C ATOM 1562 NH1 ARG A 106 -10.377 1.235 16.604 1.00 14.42 N ATOM 1563 NH2 ARG A 106 -11.155 3.229 17.434 1.00 54.32 N ATOM 0 H ARG A 106 -10.738 0.181 10.657 1.00 64.25 H new ATOM 0 HA ARG A 106 -12.620 0.766 12.756 1.00 42.32 H new ATOM 0 HB2 ARG A 106 -10.149 2.006 11.572 1.00 52.41 H new ATOM 0 HB3 ARG A 106 -11.207 3.024 12.529 1.00 52.41 H new ATOM 0 HG2 ARG A 106 -11.048 1.137 14.326 1.00 52.33 H new ATOM 0 HG3 ARG A 106 -9.670 0.572 13.403 1.00 52.33 H new ATOM 0 HD2 ARG A 106 -8.484 2.023 14.686 1.00 4.53 H new ATOM 0 HD3 ARG A 106 -9.074 3.236 13.567 1.00 4.53 H new ATOM 0 HE ARG A 106 -10.217 4.182 15.337 1.00 62.03 H new ATOM 0 HH11 ARG A 106 -9.901 0.707 15.872 1.00 14.42 H new ATOM 0 HH12 ARG A 106 -10.730 0.755 17.432 1.00 14.42 H new ATOM 0 HH21 ARG A 106 -11.278 4.237 17.341 1.00 54.32 H new ATOM 0 HH22 ARG A 106 -11.507 2.746 18.261 1.00 54.32 H new ATOM 1577 N GLY A 107 -13.084 1.978 9.816 1.00 43.54 N ATOM 1578 CA GLY A 107 -13.969 2.795 9.005 1.00 21.12 C ATOM 1579 C GLY A 107 -13.236 3.915 8.295 1.00 13.41 C ATOM 1580 O GLY A 107 -13.857 4.766 7.656 1.00 12.44 O ATOM 0 H GLY A 107 -12.491 1.337 9.289 1.00 43.54 H new ATOM 0 HA2 GLY A 107 -14.465 2.165 8.267 1.00 21.12 H new ATOM 0 HA3 GLY A 107 -14.748 3.219 9.638 1.00 21.12 H new ATOM 1584 N LEU A 108 -11.912 3.919 8.406 1.00 55.24 N ATOM 1585 CA LEU A 108 -11.094 4.945 7.770 1.00 52.14 C ATOM 1586 C LEU A 108 -10.928 4.663 6.280 1.00 40.00 C ATOM 1587 O LEU A 108 -10.901 5.584 5.462 1.00 32.12 O ATOM 1588 CB LEU A 108 -9.722 5.020 8.442 1.00 14.34 C ATOM 1589 CG LEU A 108 -9.727 5.161 9.965 1.00 33.23 C ATOM 1590 CD1 LEU A 108 -8.318 5.023 10.520 1.00 42.25 C ATOM 1591 CD2 LEU A 108 -10.336 6.494 10.375 1.00 71.12 C ATOM 0 H LEU A 108 -11.382 3.223 8.931 1.00 55.24 H new ATOM 0 HA LEU A 108 -11.601 5.903 7.885 1.00 52.14 H new ATOM 0 HB2 LEU A 108 -9.163 4.121 8.182 1.00 14.34 H new ATOM 0 HB3 LEU A 108 -9.179 5.866 8.021 1.00 14.34 H new ATOM 0 HG LEU A 108 -10.339 4.361 10.382 1.00 33.23 H new ATOM 0 HD11 LEU A 108 -8.343 5.126 11.605 1.00 42.25 H new ATOM 0 HD12 LEU A 108 -7.918 4.044 10.258 1.00 42.25 H new ATOM 0 HD13 LEU A 108 -7.682 5.800 10.096 1.00 42.25 H new ATOM 0 HD21 LEU A 108 -10.331 6.577 11.462 1.00 71.12 H new ATOM 0 HD22 LEU A 108 -9.752 7.308 9.946 1.00 71.12 H new ATOM 0 HD23 LEU A 108 -11.362 6.553 10.011 1.00 71.12 H new ATOM 1603 N LEU A 109 -10.819 3.386 5.934 1.00 71.23 N ATOM 1604 CA LEU A 109 -10.658 2.982 4.542 1.00 63.15 C ATOM 1605 C LEU A 109 -11.952 2.389 3.994 1.00 72.05 C ATOM 1606 O LEU A 109 -12.980 2.391 4.669 1.00 74.54 O ATOM 1607 CB LEU A 109 -9.523 1.965 4.413 1.00 61.22 C ATOM 1608 CG LEU A 109 -8.345 2.148 5.370 1.00 10.32 C ATOM 1609 CD1 LEU A 109 -7.387 0.971 5.271 1.00 41.45 C ATOM 1610 CD2 LEU A 109 -7.621 3.454 5.081 1.00 1.11 C ATOM 0 H LEU A 109 -10.839 2.612 6.598 1.00 71.23 H new ATOM 0 HA LEU A 109 -10.411 3.869 3.959 1.00 63.15 H new ATOM 0 HB2 LEU A 109 -9.937 0.968 4.565 1.00 61.22 H new ATOM 0 HB3 LEU A 109 -9.144 2.001 3.392 1.00 61.22 H new ATOM 0 HG LEU A 109 -8.732 2.188 6.388 1.00 10.32 H new ATOM 0 HD11 LEU A 109 -6.555 1.120 5.960 1.00 41.45 H new ATOM 0 HD12 LEU A 109 -7.912 0.052 5.530 1.00 41.45 H new ATOM 0 HD13 LEU A 109 -7.006 0.897 4.253 1.00 41.45 H new ATOM 0 HD21 LEU A 109 -6.786 3.567 5.772 1.00 1.11 H new ATOM 0 HD22 LEU A 109 -7.247 3.444 4.057 1.00 1.11 H new ATOM 0 HD23 LEU A 109 -8.311 4.288 5.206 1.00 1.11 H new ATOM 1622 N GLU A 110 -11.891 1.881 2.766 1.00 74.11 N ATOM 1623 CA GLU A 110 -13.058 1.283 2.128 1.00 13.04 C ATOM 1624 C GLU A 110 -12.643 0.372 0.978 1.00 23.22 C ATOM 1625 O GLU A 110 -12.045 0.821 0.000 1.00 44.44 O ATOM 1626 CB GLU A 110 -14.001 2.374 1.615 1.00 72.24 C ATOM 1627 CG GLU A 110 -15.453 1.933 1.529 1.00 11.33 C ATOM 1628 CD GLU A 110 -15.932 1.778 0.099 1.00 42.34 C ATOM 1629 OE1 GLU A 110 -15.386 0.915 -0.619 1.00 51.12 O ATOM 1630 OE2 GLU A 110 -16.851 2.521 -0.303 1.00 14.04 O ATOM 0 H GLU A 110 -11.046 1.872 2.194 1.00 74.11 H new ATOM 0 HA GLU A 110 -13.580 0.682 2.873 1.00 13.04 H new ATOM 0 HB2 GLU A 110 -13.932 3.241 2.272 1.00 72.24 H new ATOM 0 HB3 GLU A 110 -13.669 2.695 0.628 1.00 72.24 H new ATOM 0 HG2 GLU A 110 -15.572 0.985 2.053 1.00 11.33 H new ATOM 0 HG3 GLU A 110 -16.081 2.662 2.042 1.00 11.33 H new ATOM 1637 N LEU A 111 -12.963 -0.912 1.102 1.00 15.43 N ATOM 1638 CA LEU A 111 -12.623 -1.888 0.073 1.00 35.44 C ATOM 1639 C LEU A 111 -13.583 -1.790 -1.109 1.00 43.45 C ATOM 1640 O LEU A 111 -14.798 -1.907 -0.949 1.00 64.01 O ATOM 1641 CB LEU A 111 -12.656 -3.303 0.655 1.00 55.45 C ATOM 1642 CG LEU A 111 -12.277 -4.432 -0.305 1.00 12.22 C ATOM 1643 CD1 LEU A 111 -10.802 -4.775 -0.167 1.00 14.12 C ATOM 1644 CD2 LEU A 111 -13.138 -5.660 -0.050 1.00 52.32 C ATOM 0 H LEU A 111 -13.457 -1.301 1.905 1.00 15.43 H new ATOM 0 HA LEU A 111 -11.616 -1.670 -0.282 1.00 35.44 H new ATOM 0 HB2 LEU A 111 -11.981 -3.338 1.510 1.00 55.45 H new ATOM 0 HB3 LEU A 111 -13.660 -3.496 1.033 1.00 55.45 H new ATOM 0 HG LEU A 111 -12.457 -4.093 -1.325 1.00 12.22 H new ATOM 0 HD11 LEU A 111 -10.550 -5.580 -0.857 1.00 14.12 H new ATOM 0 HD12 LEU A 111 -10.201 -3.896 -0.399 1.00 14.12 H new ATOM 0 HD13 LEU A 111 -10.597 -5.095 0.855 1.00 14.12 H new ATOM 0 HD21 LEU A 111 -12.855 -6.453 -0.742 1.00 52.32 H new ATOM 0 HD22 LEU A 111 -12.990 -6.002 0.974 1.00 52.32 H new ATOM 0 HD23 LEU A 111 -14.187 -5.406 -0.199 1.00 52.32 H new ATOM 1656 N LYS A 112 -13.028 -1.576 -2.297 1.00 4.11 N ATOM 1657 CA LYS A 112 -13.832 -1.465 -3.508 1.00 42.42 C ATOM 1658 C LYS A 112 -13.879 -2.794 -4.254 1.00 64.04 C ATOM 1659 O LYS A 112 -14.944 -3.244 -4.677 1.00 50.41 O ATOM 1660 CB LYS A 112 -13.266 -0.375 -4.423 1.00 14.43 C ATOM 1661 CG LYS A 112 -13.682 1.030 -4.023 1.00 74.34 C ATOM 1662 CD LYS A 112 -14.572 1.669 -5.078 1.00 23.33 C ATOM 1663 CE LYS A 112 -13.765 2.520 -6.046 1.00 54.31 C ATOM 1664 NZ LYS A 112 -14.624 3.497 -6.772 1.00 44.53 N ATOM 0 H LYS A 112 -12.024 -1.476 -2.447 1.00 4.11 H new ATOM 0 HA LYS A 112 -14.847 -1.196 -3.216 1.00 42.42 H new ATOM 0 HB2 LYS A 112 -12.178 -0.438 -4.419 1.00 14.43 H new ATOM 0 HB3 LYS A 112 -13.593 -0.565 -5.445 1.00 14.43 H new ATOM 0 HG2 LYS A 112 -14.211 0.997 -3.071 1.00 74.34 H new ATOM 0 HG3 LYS A 112 -12.794 1.645 -3.873 1.00 74.34 H new ATOM 0 HD2 LYS A 112 -15.101 0.891 -5.629 1.00 23.33 H new ATOM 0 HD3 LYS A 112 -15.328 2.286 -4.593 1.00 23.33 H new ATOM 0 HE2 LYS A 112 -12.988 3.055 -5.499 1.00 54.31 H new ATOM 0 HE3 LYS A 112 -13.261 1.874 -6.765 1.00 54.31 H new ATOM 0 HZ1 LYS A 112 -14.038 4.058 -7.422 1.00 44.53 H new ATOM 0 HZ2 LYS A 112 -15.350 2.986 -7.314 1.00 44.53 H new ATOM 0 HZ3 LYS A 112 -15.085 4.130 -6.087 1.00 44.53 H new ATOM 1678 N LYS A 113 -12.718 -3.421 -4.411 1.00 42.35 N ATOM 1679 CA LYS A 113 -12.626 -4.701 -5.103 1.00 45.53 C ATOM 1680 C LYS A 113 -12.418 -5.842 -4.112 1.00 15.11 C ATOM 1681 O LYS A 113 -12.480 -5.642 -2.899 1.00 50.35 O ATOM 1682 CB LYS A 113 -11.478 -4.675 -6.115 1.00 72.42 C ATOM 1683 CG LYS A 113 -11.675 -5.628 -7.282 1.00 13.34 C ATOM 1684 CD LYS A 113 -11.356 -4.958 -8.608 1.00 32.23 C ATOM 1685 CE LYS A 113 -12.613 -4.733 -9.435 1.00 44.33 C ATOM 1686 NZ LYS A 113 -12.294 -4.452 -10.863 1.00 10.42 N ATOM 0 H LYS A 113 -11.827 -3.063 -4.068 1.00 42.35 H new ATOM 0 HA LYS A 113 -13.565 -4.869 -5.631 1.00 45.53 H new ATOM 0 HB2 LYS A 113 -11.366 -3.661 -6.499 1.00 72.42 H new ATOM 0 HB3 LYS A 113 -10.549 -4.926 -5.604 1.00 72.42 H new ATOM 0 HG2 LYS A 113 -11.036 -6.502 -7.152 1.00 13.34 H new ATOM 0 HG3 LYS A 113 -12.705 -5.985 -7.292 1.00 13.34 H new ATOM 0 HD2 LYS A 113 -10.864 -4.003 -8.425 1.00 32.23 H new ATOM 0 HD3 LYS A 113 -10.655 -5.576 -9.170 1.00 32.23 H new ATOM 0 HE2 LYS A 113 -13.252 -5.614 -9.372 1.00 44.33 H new ATOM 0 HE3 LYS A 113 -13.178 -3.899 -9.018 1.00 44.33 H new ATOM 0 HZ1 LYS A 113 -13.176 -4.304 -11.393 1.00 10.42 H new ATOM 0 HZ2 LYS A 113 -11.705 -3.597 -10.925 1.00 10.42 H new ATOM 0 HZ3 LYS A 113 -11.777 -5.258 -11.268 1.00 10.42 H new ATOM 1700 N GLY A 114 -12.170 -7.038 -4.636 1.00 13.23 N ATOM 1701 CA GLY A 114 -11.956 -8.193 -3.782 1.00 54.43 C ATOM 1702 C GLY A 114 -12.999 -8.306 -2.688 1.00 13.51 C ATOM 1703 O GLY A 114 -14.183 -8.061 -2.920 1.00 54.25 O ATOM 0 H GLY A 114 -12.113 -7.228 -5.636 1.00 13.23 H new ATOM 0 HA2 GLY A 114 -11.971 -9.098 -4.389 1.00 54.43 H new ATOM 0 HA3 GLY A 114 -10.966 -8.129 -3.331 1.00 54.43 H new ATOM 1707 N THR A 115 -12.560 -8.679 -1.490 1.00 4.21 N ATOM 1708 CA THR A 115 -13.463 -8.827 -0.357 1.00 10.44 C ATOM 1709 C THR A 115 -12.695 -8.839 0.961 1.00 72.44 C ATOM 1710 O THR A 115 -11.583 -9.362 1.036 1.00 65.12 O ATOM 1711 CB THR A 115 -14.295 -10.118 -0.466 1.00 21.22 C ATOM 1712 OG1 THR A 115 -15.074 -10.301 0.721 1.00 21.32 O ATOM 1713 CG2 THR A 115 -13.394 -11.326 -0.678 1.00 54.14 C ATOM 0 H THR A 115 -11.583 -8.884 -1.280 1.00 4.21 H new ATOM 0 HA THR A 115 -14.135 -7.969 -0.375 1.00 10.44 H new ATOM 0 HB THR A 115 -14.959 -10.024 -1.325 1.00 21.22 H new ATOM 0 HG1 THR A 115 -15.601 -11.123 0.643 1.00 21.32 H new ATOM 0 HG21 THR A 115 -14.004 -12.226 -0.752 1.00 54.14 H new ATOM 0 HG22 THR A 115 -12.824 -11.197 -1.598 1.00 54.14 H new ATOM 0 HG23 THR A 115 -12.708 -11.421 0.164 1.00 54.14 H new ATOM 1721 N ILE A 116 -13.295 -8.263 1.996 1.00 52.03 N ATOM 1722 CA ILE A 116 -12.667 -8.212 3.310 1.00 12.24 C ATOM 1723 C ILE A 116 -12.525 -9.608 3.907 1.00 12.41 C ATOM 1724 O ILE A 116 -11.557 -9.898 4.609 1.00 13.43 O ATOM 1725 CB ILE A 116 -13.472 -7.329 4.284 1.00 23.01 C ATOM 1726 CG1 ILE A 116 -12.622 -6.977 5.507 1.00 52.12 C ATOM 1727 CG2 ILE A 116 -14.751 -8.036 4.705 1.00 3.54 C ATOM 1728 CD1 ILE A 116 -13.228 -5.893 6.371 1.00 5.35 C ATOM 0 H ILE A 116 -14.215 -7.825 1.950 1.00 52.03 H new ATOM 0 HA ILE A 116 -11.677 -7.777 3.170 1.00 12.24 H new ATOM 0 HB ILE A 116 -13.743 -6.404 3.775 1.00 23.01 H new ATOM 0 HG12 ILE A 116 -12.478 -7.874 6.110 1.00 52.12 H new ATOM 0 HG13 ILE A 116 -11.635 -6.656 5.174 1.00 52.12 H new ATOM 0 HG21 ILE A 116 -15.309 -7.400 5.393 1.00 3.54 H new ATOM 0 HG22 ILE A 116 -15.360 -8.241 3.825 1.00 3.54 H new ATOM 0 HG23 ILE A 116 -14.502 -8.975 5.200 1.00 3.54 H new ATOM 0 HD11 ILE A 116 -12.573 -5.695 7.219 1.00 5.35 H new ATOM 0 HD12 ILE A 116 -13.346 -4.983 5.783 1.00 5.35 H new ATOM 0 HD13 ILE A 116 -14.202 -6.219 6.734 1.00 5.35 H new ATOM 1740 N ALA A 117 -13.496 -10.469 3.622 1.00 62.35 N ATOM 1741 CA ALA A 117 -13.477 -11.836 4.126 1.00 24.42 C ATOM 1742 C ALA A 117 -12.200 -12.559 3.707 1.00 11.54 C ATOM 1743 O ALA A 117 -11.886 -13.630 4.222 1.00 64.40 O ATOM 1744 CB ALA A 117 -14.700 -12.597 3.637 1.00 13.44 C ATOM 0 H ALA A 117 -14.306 -10.244 3.044 1.00 62.35 H new ATOM 0 HA ALA A 117 -13.500 -11.795 5.215 1.00 24.42 H new ATOM 0 HB1 ALA A 117 -14.672 -13.617 4.022 1.00 13.44 H new ATOM 0 HB2 ALA A 117 -15.603 -12.100 3.991 1.00 13.44 H new ATOM 0 HB3 ALA A 117 -14.702 -12.620 2.547 1.00 13.44 H new ATOM 1750 N ALA A 118 -11.471 -11.964 2.769 1.00 23.14 N ATOM 1751 CA ALA A 118 -10.228 -12.551 2.282 1.00 40.12 C ATOM 1752 C ALA A 118 -9.038 -12.086 3.115 1.00 14.54 C ATOM 1753 O ALA A 118 -8.004 -12.753 3.165 1.00 25.20 O ATOM 1754 CB ALA A 118 -10.018 -12.200 0.816 1.00 2.14 C ATOM 0 H ALA A 118 -11.719 -11.077 2.331 1.00 23.14 H new ATOM 0 HA ALA A 118 -10.304 -13.634 2.378 1.00 40.12 H new ATOM 0 HB1 ALA A 118 -9.087 -12.644 0.465 1.00 2.14 H new ATOM 0 HB2 ALA A 118 -10.849 -12.587 0.227 1.00 2.14 H new ATOM 0 HB3 ALA A 118 -9.968 -11.117 0.705 1.00 2.14 H new ATOM 1760 N LEU A 119 -9.191 -10.939 3.767 1.00 44.51 N ATOM 1761 CA LEU A 119 -8.128 -10.383 4.598 1.00 20.51 C ATOM 1762 C LEU A 119 -8.086 -11.071 5.959 1.00 42.21 C ATOM 1763 O LEU A 119 -7.179 -10.835 6.757 1.00 42.31 O ATOM 1764 CB LEU A 119 -8.329 -8.878 4.780 1.00 70.31 C ATOM 1765 CG LEU A 119 -8.466 -8.060 3.496 1.00 52.40 C ATOM 1766 CD1 LEU A 119 -8.857 -6.625 3.816 1.00 1.35 C ATOM 1767 CD2 LEU A 119 -7.171 -8.095 2.698 1.00 21.23 C ATOM 0 H LEU A 119 -10.041 -10.375 3.737 1.00 44.51 H new ATOM 0 HA LEU A 119 -7.177 -10.557 4.094 1.00 20.51 H new ATOM 0 HB2 LEU A 119 -9.223 -8.721 5.384 1.00 70.31 H new ATOM 0 HB3 LEU A 119 -7.487 -8.485 5.349 1.00 70.31 H new ATOM 0 HG LEU A 119 -9.255 -8.504 2.889 1.00 52.40 H new ATOM 0 HD11 LEU A 119 -8.950 -6.058 2.890 1.00 1.35 H new ATOM 0 HD12 LEU A 119 -9.811 -6.617 4.344 1.00 1.35 H new ATOM 0 HD13 LEU A 119 -8.091 -6.171 4.444 1.00 1.35 H new ATOM 0 HD21 LEU A 119 -7.289 -7.507 1.788 1.00 21.23 H new ATOM 0 HD22 LEU A 119 -6.363 -7.677 3.298 1.00 21.23 H new ATOM 0 HD23 LEU A 119 -6.933 -9.126 2.436 1.00 21.23 H new ATOM 1779 N ALA A 120 -9.072 -11.924 6.216 1.00 53.40 N ATOM 1780 CA ALA A 120 -9.145 -12.648 7.478 1.00 21.51 C ATOM 1781 C ALA A 120 -7.784 -13.216 7.865 1.00 63.10 C ATOM 1782 O ALA A 120 -7.205 -12.860 8.892 1.00 23.31 O ATOM 1783 CB ALA A 120 -10.178 -13.762 7.388 1.00 3.11 C ATOM 0 H ALA A 120 -9.831 -12.130 5.567 1.00 53.40 H new ATOM 0 HA ALA A 120 -9.450 -11.946 8.254 1.00 21.51 H new ATOM 0 HB1 ALA A 120 -10.222 -14.295 8.338 1.00 3.11 H new ATOM 0 HB2 ALA A 120 -11.156 -13.334 7.166 1.00 3.11 H new ATOM 0 HB3 ALA A 120 -9.897 -14.456 6.596 1.00 3.11 H new ATOM 1789 N PRO A 121 -7.259 -14.122 7.026 1.00 41.23 N ATOM 1790 CA PRO A 121 -5.959 -14.758 7.260 1.00 12.53 C ATOM 1791 C PRO A 121 -4.798 -13.784 7.092 1.00 53.25 C ATOM 1792 O PRO A 121 -3.859 -13.778 7.888 1.00 73.13 O ATOM 1793 CB PRO A 121 -5.901 -15.850 6.189 1.00 15.11 C ATOM 1794 CG PRO A 121 -6.796 -15.362 5.102 1.00 34.41 C ATOM 1795 CD PRO A 121 -7.894 -14.592 5.784 1.00 25.51 C ATOM 0 HA PRO A 121 -5.867 -15.135 8.278 1.00 12.53 H new ATOM 0 HB2 PRO A 121 -4.883 -15.997 5.828 1.00 15.11 H new ATOM 0 HB3 PRO A 121 -6.241 -16.808 6.582 1.00 15.11 H new ATOM 0 HG2 PRO A 121 -6.251 -14.728 4.403 1.00 34.41 H new ATOM 0 HG3 PRO A 121 -7.202 -16.195 4.527 1.00 34.41 H new ATOM 0 HD2 PRO A 121 -8.242 -13.761 5.171 1.00 25.51 H new ATOM 0 HD3 PRO A 121 -8.760 -15.222 5.989 1.00 25.51 H new ATOM 1803 N TYR A 122 -4.869 -12.961 6.051 1.00 64.04 N ATOM 1804 CA TYR A 122 -3.822 -11.984 5.777 1.00 3.31 C ATOM 1805 C TYR A 122 -4.053 -10.702 6.571 1.00 21.12 C ATOM 1806 O TYR A 122 -4.046 -9.604 6.015 1.00 70.51 O ATOM 1807 CB TYR A 122 -3.768 -11.667 4.282 1.00 72.44 C ATOM 1808 CG TYR A 122 -3.893 -12.890 3.400 1.00 44.31 C ATOM 1809 CD1 TYR A 122 -2.857 -13.811 3.305 1.00 73.40 C ATOM 1810 CD2 TYR A 122 -5.047 -13.123 2.661 1.00 34.05 C ATOM 1811 CE1 TYR A 122 -2.966 -14.928 2.500 1.00 75.02 C ATOM 1812 CE2 TYR A 122 -5.166 -14.239 1.856 1.00 41.24 C ATOM 1813 CZ TYR A 122 -4.123 -15.138 1.777 1.00 42.51 C ATOM 1814 OH TYR A 122 -4.236 -16.250 0.975 1.00 71.42 O ATOM 0 H TYR A 122 -5.640 -12.951 5.384 1.00 64.04 H new ATOM 0 HA TYR A 122 -2.869 -12.415 6.084 1.00 3.31 H new ATOM 0 HB2 TYR A 122 -4.569 -10.969 4.038 1.00 72.44 H new ATOM 0 HB3 TYR A 122 -2.827 -11.163 4.059 1.00 72.44 H new ATOM 0 HD1 TYR A 122 -1.951 -13.651 3.870 1.00 73.40 H new ATOM 0 HD2 TYR A 122 -5.864 -12.419 2.717 1.00 34.05 H new ATOM 0 HE1 TYR A 122 -2.151 -15.633 2.437 1.00 75.02 H new ATOM 0 HE2 TYR A 122 -6.071 -14.407 1.291 1.00 41.24 H new ATOM 0 HH TYR A 122 -5.112 -16.249 0.536 1.00 71.42 H new ATOM 1824 N ALA A 123 -4.256 -10.851 7.876 1.00 10.00 N ATOM 1825 CA ALA A 123 -4.486 -9.706 8.748 1.00 3.25 C ATOM 1826 C ALA A 123 -3.179 -9.211 9.361 1.00 13.41 C ATOM 1827 O ALA A 123 -3.038 -8.028 9.670 1.00 42.22 O ATOM 1828 CB ALA A 123 -5.479 -10.067 9.843 1.00 70.52 C ATOM 0 H ALA A 123 -4.266 -11.753 8.352 1.00 10.00 H new ATOM 0 HA ALA A 123 -4.903 -8.900 8.144 1.00 3.25 H new ATOM 0 HB1 ALA A 123 -5.641 -9.202 10.487 1.00 70.52 H new ATOM 0 HB2 ALA A 123 -6.425 -10.366 9.392 1.00 70.52 H new ATOM 0 HB3 ALA A 123 -5.083 -10.891 10.436 1.00 70.52 H new ATOM 1834 N GLN A 124 -2.229 -10.124 9.534 1.00 40.43 N ATOM 1835 CA GLN A 124 -0.934 -9.779 10.110 1.00 72.02 C ATOM 1836 C GLN A 124 0.066 -9.411 9.019 1.00 2.44 C ATOM 1837 O GLN A 124 0.858 -8.482 9.178 1.00 54.14 O ATOM 1838 CB GLN A 124 -0.396 -10.944 10.941 1.00 20.21 C ATOM 1839 CG GLN A 124 -1.104 -11.118 12.276 1.00 45.34 C ATOM 1840 CD GLN A 124 -2.216 -12.146 12.216 1.00 34.42 C ATOM 1841 OE1 GLN A 124 -3.307 -11.869 11.715 1.00 23.14 O ATOM 1842 NE2 GLN A 124 -1.947 -13.341 12.728 1.00 2.53 N ATOM 0 H GLN A 124 -2.331 -11.108 9.284 1.00 40.43 H new ATOM 0 HA GLN A 124 -1.071 -8.913 10.758 1.00 72.02 H new ATOM 0 HB2 GLN A 124 -0.492 -11.865 10.366 1.00 20.21 H new ATOM 0 HB3 GLN A 124 0.668 -10.790 11.121 1.00 20.21 H new ATOM 0 HG2 GLN A 124 -0.378 -11.417 13.032 1.00 45.34 H new ATOM 0 HG3 GLN A 124 -1.517 -10.160 12.592 1.00 45.34 H new ATOM 0 HE21 GLN A 124 -1.030 -13.527 13.133 1.00 2.53 H new ATOM 0 HE22 GLN A 124 -2.658 -14.073 12.716 1.00 2.53 H new ATOM 1851 N ALA A 125 0.026 -10.146 7.913 1.00 33.21 N ATOM 1852 CA ALA A 125 0.928 -9.895 6.796 1.00 24.30 C ATOM 1853 C ALA A 125 1.108 -8.399 6.561 1.00 23.31 C ATOM 1854 O ALA A 125 2.169 -7.954 6.124 1.00 20.24 O ATOM 1855 CB ALA A 125 0.408 -10.571 5.536 1.00 22.41 C ATOM 0 H ALA A 125 -0.622 -10.920 7.766 1.00 33.21 H new ATOM 0 HA ALA A 125 1.902 -10.316 7.045 1.00 24.30 H new ATOM 0 HB1 ALA A 125 1.091 -10.375 4.710 1.00 22.41 H new ATOM 0 HB2 ALA A 125 0.338 -11.646 5.702 1.00 22.41 H new ATOM 0 HB3 ALA A 125 -0.578 -10.177 5.292 1.00 22.41 H new ATOM 1861 N ALA A 126 0.066 -7.629 6.852 1.00 21.44 N ATOM 1862 CA ALA A 126 0.110 -6.184 6.674 1.00 4.42 C ATOM 1863 C ALA A 126 1.249 -5.565 7.478 1.00 60.41 C ATOM 1864 O ALA A 126 2.038 -4.782 6.951 1.00 50.01 O ATOM 1865 CB ALA A 126 -1.219 -5.561 7.074 1.00 62.42 C ATOM 0 H ALA A 126 -0.820 -7.982 7.213 1.00 21.44 H new ATOM 0 HA ALA A 126 0.292 -5.980 5.619 1.00 4.42 H new ATOM 0 HB1 ALA A 126 -1.171 -4.481 6.936 1.00 62.42 H new ATOM 0 HB2 ALA A 126 -2.015 -5.971 6.453 1.00 62.42 H new ATOM 0 HB3 ALA A 126 -1.425 -5.784 8.121 1.00 62.42 H new ATOM 1871 N GLN A 127 1.328 -5.924 8.755 1.00 54.13 N ATOM 1872 CA GLN A 127 2.370 -5.402 9.631 1.00 22.41 C ATOM 1873 C GLN A 127 3.749 -5.578 9.002 1.00 31.34 C ATOM 1874 O GLN A 127 4.693 -4.868 9.346 1.00 32.43 O ATOM 1875 CB GLN A 127 2.323 -6.105 10.990 1.00 63.04 C ATOM 1876 CG GLN A 127 1.660 -5.278 12.079 1.00 3.43 C ATOM 1877 CD GLN A 127 2.593 -4.988 13.240 1.00 33.11 C ATOM 1878 OE1 GLN A 127 3.735 -4.571 13.044 1.00 33.25 O ATOM 1879 NE2 GLN A 127 2.109 -5.208 14.457 1.00 70.22 N ATOM 0 H GLN A 127 0.684 -6.574 9.206 1.00 54.13 H new ATOM 0 HA GLN A 127 2.189 -4.337 9.774 1.00 22.41 H new ATOM 0 HB2 GLN A 127 1.787 -7.048 10.884 1.00 63.04 H new ATOM 0 HB3 GLN A 127 3.339 -6.350 11.299 1.00 63.04 H new ATOM 0 HG2 GLN A 127 1.311 -4.337 11.654 1.00 3.43 H new ATOM 0 HG3 GLN A 127 0.781 -5.807 12.447 1.00 3.43 H new ATOM 0 HE21 GLN A 127 1.156 -5.554 14.572 1.00 70.22 H new ATOM 0 HE22 GLN A 127 2.690 -5.031 15.277 1.00 70.22 H new ATOM 1888 N GLU A 128 3.855 -6.530 8.080 1.00 44.52 N ATOM 1889 CA GLU A 128 5.119 -6.799 7.404 1.00 70.33 C ATOM 1890 C GLU A 128 5.271 -5.921 6.165 1.00 4.43 C ATOM 1891 O GLU A 128 6.336 -5.350 5.922 1.00 71.42 O ATOM 1892 CB GLU A 128 5.208 -8.275 7.010 1.00 23.22 C ATOM 1893 CG GLU A 128 5.410 -9.209 8.191 1.00 2.34 C ATOM 1894 CD GLU A 128 6.680 -8.906 8.964 1.00 54.00 C ATOM 1895 OE1 GLU A 128 7.717 -8.647 8.320 1.00 65.23 O ATOM 1896 OE2 GLU A 128 6.635 -8.930 10.212 1.00 42.41 O ATOM 0 H GLU A 128 3.082 -7.127 7.785 1.00 44.52 H new ATOM 0 HA GLU A 128 5.928 -6.565 8.096 1.00 70.33 H new ATOM 0 HB2 GLU A 128 4.295 -8.558 6.486 1.00 23.22 H new ATOM 0 HB3 GLU A 128 6.032 -8.406 6.309 1.00 23.22 H new ATOM 0 HG2 GLU A 128 4.554 -9.132 8.861 1.00 2.34 H new ATOM 0 HG3 GLU A 128 5.443 -10.238 7.834 1.00 2.34 H new ATOM 1903 N LEU A 129 4.201 -5.817 5.385 1.00 24.33 N ATOM 1904 CA LEU A 129 4.215 -5.010 4.171 1.00 41.21 C ATOM 1905 C LEU A 129 4.624 -3.573 4.477 1.00 45.31 C ATOM 1906 O LEU A 129 5.632 -3.081 3.968 1.00 14.21 O ATOM 1907 CB LEU A 129 2.838 -5.028 3.506 1.00 34.30 C ATOM 1908 CG LEU A 129 2.573 -6.187 2.544 1.00 54.33 C ATOM 1909 CD1 LEU A 129 1.414 -7.039 3.040 1.00 50.22 C ATOM 1910 CD2 LEU A 129 2.290 -5.663 1.144 1.00 51.31 C ATOM 0 H LEU A 129 3.313 -6.282 5.572 1.00 24.33 H new ATOM 0 HA LEU A 129 4.947 -5.440 3.488 1.00 41.21 H new ATOM 0 HB2 LEU A 129 2.079 -5.050 4.288 1.00 34.30 H new ATOM 0 HB3 LEU A 129 2.707 -4.093 2.962 1.00 34.30 H new ATOM 0 HG LEU A 129 3.465 -6.812 2.504 1.00 54.33 H new ATOM 0 HD11 LEU A 129 1.240 -7.859 2.343 1.00 50.22 H new ATOM 0 HD12 LEU A 129 1.655 -7.444 4.023 1.00 50.22 H new ATOM 0 HD13 LEU A 129 0.516 -6.426 3.110 1.00 50.22 H new ATOM 0 HD21 LEU A 129 2.104 -6.501 0.473 1.00 51.31 H new ATOM 0 HD22 LEU A 129 1.413 -5.016 1.168 1.00 51.31 H new ATOM 0 HD23 LEU A 129 3.150 -5.096 0.787 1.00 51.31 H new ATOM 1922 N VAL A 130 3.838 -2.904 5.315 1.00 15.21 N ATOM 1923 CA VAL A 130 4.120 -1.524 5.692 1.00 32.54 C ATOM 1924 C VAL A 130 5.559 -1.369 6.170 1.00 45.03 C ATOM 1925 O VAL A 130 6.259 -0.435 5.775 1.00 64.33 O ATOM 1926 CB VAL A 130 3.168 -1.040 6.801 1.00 35.42 C ATOM 1927 CG1 VAL A 130 3.263 -1.945 8.021 1.00 5.40 C ATOM 1928 CG2 VAL A 130 3.474 0.403 7.173 1.00 73.41 C ATOM 0 H VAL A 130 3.001 -3.296 5.746 1.00 15.21 H new ATOM 0 HA VAL A 130 3.968 -0.915 4.801 1.00 32.54 H new ATOM 0 HB VAL A 130 2.146 -1.086 6.424 1.00 35.42 H new ATOM 0 HG11 VAL A 130 2.583 -1.587 8.794 1.00 5.40 H new ATOM 0 HG12 VAL A 130 2.990 -2.963 7.741 1.00 5.40 H new ATOM 0 HG13 VAL A 130 4.284 -1.935 8.403 1.00 5.40 H new ATOM 0 HG21 VAL A 130 2.792 0.729 7.958 1.00 73.41 H new ATOM 0 HG22 VAL A 130 4.501 0.477 7.531 1.00 73.41 H new ATOM 0 HG23 VAL A 130 3.349 1.039 6.297 1.00 73.41 H new ATOM 1938 N LYS A 131 5.997 -2.289 7.021 1.00 2.44 N ATOM 1939 CA LYS A 131 7.354 -2.257 7.553 1.00 21.22 C ATOM 1940 C LYS A 131 8.355 -1.878 6.466 1.00 21.22 C ATOM 1941 O LYS A 131 9.025 -0.849 6.556 1.00 43.23 O ATOM 1942 CB LYS A 131 7.723 -3.617 8.149 1.00 50.30 C ATOM 1943 CG LYS A 131 8.414 -3.523 9.499 1.00 43.22 C ATOM 1944 CD LYS A 131 9.868 -3.956 9.413 1.00 12.40 C ATOM 1945 CE LYS A 131 10.763 -2.815 8.955 1.00 42.32 C ATOM 1946 NZ LYS A 131 12.206 -3.149 9.101 1.00 62.30 N ATOM 0 H LYS A 131 5.431 -3.068 7.358 1.00 2.44 H new ATOM 0 HA LYS A 131 7.392 -1.501 8.338 1.00 21.22 H new ATOM 0 HB2 LYS A 131 6.818 -4.216 8.254 1.00 50.30 H new ATOM 0 HB3 LYS A 131 8.375 -4.145 7.453 1.00 50.30 H new ATOM 0 HG2 LYS A 131 8.360 -2.498 9.866 1.00 43.22 H new ATOM 0 HG3 LYS A 131 7.889 -4.148 10.222 1.00 43.22 H new ATOM 0 HD2 LYS A 131 10.201 -4.312 10.388 1.00 12.40 H new ATOM 0 HD3 LYS A 131 9.959 -4.792 8.720 1.00 12.40 H new ATOM 0 HE2 LYS A 131 10.548 -2.581 7.912 1.00 42.32 H new ATOM 0 HE3 LYS A 131 10.537 -1.921 9.535 1.00 42.32 H new ATOM 0 HZ1 LYS A 131 12.736 -2.760 8.295 1.00 62.30 H new ATOM 0 HZ2 LYS A 131 12.570 -2.738 9.985 1.00 62.30 H new ATOM 0 HZ3 LYS A 131 12.322 -4.182 9.126 1.00 62.30 H new ATOM 1960 N VAL A 132 8.452 -2.716 5.438 1.00 54.51 N ATOM 1961 CA VAL A 132 9.369 -2.467 4.332 1.00 31.35 C ATOM 1962 C VAL A 132 9.004 -1.184 3.595 1.00 50.41 C ATOM 1963 O VAL A 132 9.873 -0.498 3.055 1.00 34.22 O ATOM 1964 CB VAL A 132 9.372 -3.638 3.332 1.00 43.32 C ATOM 1965 CG1 VAL A 132 10.340 -3.363 2.192 1.00 25.53 C ATOM 1966 CG2 VAL A 132 9.721 -4.939 4.037 1.00 24.42 C ATOM 0 H VAL A 132 7.907 -3.573 5.348 1.00 54.51 H new ATOM 0 HA VAL A 132 10.365 -2.364 4.763 1.00 31.35 H new ATOM 0 HB VAL A 132 8.371 -3.737 2.911 1.00 43.32 H new ATOM 0 HG11 VAL A 132 10.329 -4.201 1.495 1.00 25.53 H new ATOM 0 HG12 VAL A 132 10.040 -2.454 1.671 1.00 25.53 H new ATOM 0 HG13 VAL A 132 11.346 -3.237 2.592 1.00 25.53 H new ATOM 0 HG21 VAL A 132 9.718 -5.756 3.315 1.00 24.42 H new ATOM 0 HG22 VAL A 132 10.710 -4.855 4.487 1.00 24.42 H new ATOM 0 HG23 VAL A 132 8.985 -5.140 4.815 1.00 24.42 H new ATOM 1976 N ALA A 133 7.714 -0.864 3.575 1.00 21.12 N ATOM 1977 CA ALA A 133 7.235 0.339 2.905 1.00 25.43 C ATOM 1978 C ALA A 133 7.909 1.585 3.469 1.00 73.05 C ATOM 1979 O ALA A 133 8.100 2.573 2.759 1.00 51.25 O ATOM 1980 CB ALA A 133 5.724 0.448 3.036 1.00 51.20 C ATOM 0 H ALA A 133 6.982 -1.421 4.015 1.00 21.12 H new ATOM 0 HA ALA A 133 7.492 0.265 1.848 1.00 25.43 H new ATOM 0 HB1 ALA A 133 5.379 1.351 2.531 1.00 51.20 H new ATOM 0 HB2 ALA A 133 5.255 -0.424 2.580 1.00 51.20 H new ATOM 0 HB3 ALA A 133 5.453 0.496 4.091 1.00 51.20 H new ATOM 1986 N ARG A 134 8.267 1.533 4.747 1.00 11.11 N ATOM 1987 CA ARG A 134 8.918 2.659 5.404 1.00 15.45 C ATOM 1988 C ARG A 134 10.404 2.705 5.062 1.00 2.12 C ATOM 1989 O ARG A 134 11.000 3.779 4.985 1.00 72.23 O ATOM 1990 CB ARG A 134 8.735 2.566 6.921 1.00 45.23 C ATOM 1991 CG ARG A 134 7.304 2.792 7.378 1.00 43.23 C ATOM 1992 CD ARG A 134 7.163 2.605 8.880 1.00 74.23 C ATOM 1993 NE ARG A 134 7.742 3.717 9.628 1.00 10.11 N ATOM 1994 CZ ARG A 134 7.673 3.829 10.950 1.00 64.44 C ATOM 1995 NH1 ARG A 134 7.055 2.899 11.666 1.00 1.53 N ATOM 1996 NH2 ARG A 134 8.225 4.871 11.559 1.00 43.00 N ATOM 0 H ARG A 134 8.117 0.723 5.348 1.00 11.11 H new ATOM 0 HA ARG A 134 8.452 3.576 5.043 1.00 15.45 H new ATOM 0 HB2 ARG A 134 9.064 1.583 7.258 1.00 45.23 H new ATOM 0 HB3 ARG A 134 9.381 3.301 7.402 1.00 45.23 H new ATOM 0 HG2 ARG A 134 6.988 3.799 7.104 1.00 43.23 H new ATOM 0 HG3 ARG A 134 6.642 2.098 6.860 1.00 43.23 H new ATOM 0 HD2 ARG A 134 6.108 2.507 9.135 1.00 74.23 H new ATOM 0 HD3 ARG A 134 7.650 1.676 9.177 1.00 74.23 H new ATOM 0 HE ARG A 134 8.226 4.448 9.107 1.00 10.11 H new ATOM 0 HH11 ARG A 134 6.631 2.096 11.202 1.00 1.53 H new ATOM 0 HH12 ARG A 134 7.003 2.987 12.681 1.00 1.53 H new ATOM 0 HH21 ARG A 134 8.703 5.587 11.012 1.00 43.00 H new ATOM 0 HH22 ARG A 134 8.171 4.956 12.574 1.00 43.00 H new ATOM 2010 N GLU A 135 10.995 1.532 4.858 1.00 53.14 N ATOM 2011 CA GLU A 135 12.411 1.438 4.525 1.00 43.43 C ATOM 2012 C GLU A 135 12.727 2.236 3.262 1.00 51.12 C ATOM 2013 O GLU A 135 13.789 2.847 3.150 1.00 43.54 O ATOM 2014 CB GLU A 135 12.818 -0.023 4.333 1.00 64.40 C ATOM 2015 CG GLU A 135 12.857 -0.819 5.627 1.00 70.52 C ATOM 2016 CD GLU A 135 14.060 -1.739 5.710 1.00 35.10 C ATOM 2017 OE1 GLU A 135 14.645 -2.048 4.652 1.00 61.44 O ATOM 2018 OE2 GLU A 135 14.415 -2.149 6.835 1.00 60.13 O ATOM 0 H GLU A 135 10.515 0.634 4.918 1.00 53.14 H new ATOM 0 HA GLU A 135 12.981 1.860 5.353 1.00 43.43 H new ATOM 0 HB2 GLU A 135 12.119 -0.499 3.645 1.00 64.40 H new ATOM 0 HB3 GLU A 135 13.801 -0.059 3.864 1.00 64.40 H new ATOM 0 HG2 GLU A 135 12.872 -0.131 6.472 1.00 70.52 H new ATOM 0 HG3 GLU A 135 11.945 -1.410 5.713 1.00 70.52 H new ATOM 2025 N VAL A 136 11.796 2.224 2.314 1.00 60.33 N ATOM 2026 CA VAL A 136 11.973 2.945 1.059 1.00 42.03 C ATOM 2027 C VAL A 136 11.858 4.450 1.269 1.00 25.03 C ATOM 2028 O VAL A 136 12.773 5.205 0.939 1.00 73.34 O ATOM 2029 CB VAL A 136 10.937 2.504 0.007 1.00 1.23 C ATOM 2030 CG1 VAL A 136 11.158 3.245 -1.303 1.00 23.10 C ATOM 2031 CG2 VAL A 136 10.999 0.999 -0.204 1.00 41.10 C ATOM 0 H VAL A 136 10.911 1.723 2.391 1.00 60.33 H new ATOM 0 HA VAL A 136 12.973 2.707 0.696 1.00 42.03 H new ATOM 0 HB VAL A 136 9.942 2.755 0.375 1.00 1.23 H new ATOM 0 HG11 VAL A 136 10.417 2.921 -2.034 1.00 23.10 H new ATOM 0 HG12 VAL A 136 11.058 4.317 -1.136 1.00 23.10 H new ATOM 0 HG13 VAL A 136 12.158 3.029 -1.679 1.00 23.10 H new ATOM 0 HG21 VAL A 136 10.261 0.705 -0.950 1.00 41.10 H new ATOM 0 HG22 VAL A 136 11.995 0.721 -0.550 1.00 41.10 H new ATOM 0 HG23 VAL A 136 10.786 0.491 0.736 1.00 41.10 H new