USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 THR OG1 : rot 127:sc= -0.793 USER MOD Set 1.2: A 77 ASN : amide:sc= -0.128 K(o=-0.92,f=-4.4!) USER MOD Set 2.1: A 70 ASN : amide:sc= -1.69 K(o=-2.7,f=-10!) USER MOD Set 2.2: A 73 GLN : amide:sc= -1.05 K(o=-2.7,f=-4.6) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= -1.05 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00766 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.015) USER MOD Single : A 22 THR OG1 : rot -17:sc= 0.498 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 55 SER OG : rot 37:sc= 1.18 USER MOD Single : A 58 SER OG : rot -78:sc= 0.353 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 160:sc= -1.85! USER MOD Single : A 63 THR OG1 : rot -78:sc= 1.31 USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0.0374 (180deg=0.0341) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= -0.136 (180deg=-1.76!) USER MOD Single : A 82 TYR OH : rot 80:sc= -0.966 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -6.312 5.561 -15.039 1.00 2.14 N ATOM 115 CA ALA A 9 -7.118 6.756 -15.257 1.00 25.11 C ATOM 116 C ALA A 9 -7.812 6.709 -16.614 1.00 11.34 C ATOM 117 O ALA A 9 -8.143 7.747 -17.188 1.00 62.43 O ATOM 118 CB ALA A 9 -6.253 8.003 -15.147 1.00 63.02 C ATOM 0 HA ALA A 9 -7.887 6.792 -14.486 1.00 25.11 H new ATOM 0 HB1 ALA A 9 -6.868 8.888 -15.312 1.00 63.02 H new ATOM 0 HB2 ALA A 9 -5.808 8.051 -14.153 1.00 63.02 H new ATOM 0 HB3 ALA A 9 -5.463 7.965 -15.897 1.00 63.02 H new ATOM 124 N ARG A 10 -8.030 5.500 -17.121 1.00 2.25 N ATOM 125 CA ARG A 10 -8.683 5.319 -18.411 1.00 55.10 C ATOM 126 C ARG A 10 -10.067 4.698 -18.237 1.00 44.35 C ATOM 127 O ARG A 10 -11.037 5.139 -18.853 1.00 14.13 O ATOM 128 CB ARG A 10 -7.827 4.437 -19.321 1.00 72.51 C ATOM 129 CG ARG A 10 -7.386 5.128 -20.601 1.00 10.34 C ATOM 130 CD ARG A 10 -5.923 4.849 -20.909 1.00 14.11 C ATOM 131 NE ARG A 10 -5.659 3.421 -21.060 1.00 23.23 N ATOM 132 CZ ARG A 10 -5.911 2.740 -22.172 1.00 41.12 C ATOM 133 NH1 ARG A 10 -6.431 3.355 -23.226 1.00 22.52 N ATOM 134 NH2 ARG A 10 -5.642 1.442 -22.232 1.00 53.15 N ATOM 0 H ARG A 10 -7.764 4.631 -16.658 1.00 2.25 H new ATOM 0 HA ARG A 10 -8.799 6.300 -18.872 1.00 55.10 H new ATOM 0 HB2 ARG A 10 -6.944 4.112 -18.771 1.00 72.51 H new ATOM 0 HB3 ARG A 10 -8.391 3.540 -19.578 1.00 72.51 H new ATOM 0 HG2 ARG A 10 -8.005 4.788 -21.431 1.00 10.34 H new ATOM 0 HG3 ARG A 10 -7.541 6.203 -20.507 1.00 10.34 H new ATOM 0 HD2 ARG A 10 -5.640 5.369 -21.824 1.00 14.11 H new ATOM 0 HD3 ARG A 10 -5.301 5.250 -20.109 1.00 14.11 H new ATOM 0 HE ARG A 10 -5.259 2.919 -20.268 1.00 23.23 H new ATOM 0 HH11 ARG A 10 -6.638 4.353 -23.183 1.00 22.52 H new ATOM 0 HH12 ARG A 10 -6.624 2.830 -24.079 1.00 22.52 H new ATOM 0 HH21 ARG A 10 -5.241 0.966 -21.424 1.00 53.15 H new ATOM 0 HH22 ARG A 10 -5.836 0.920 -23.087 1.00 53.15 H new ATOM 148 N SER A 11 -10.148 3.672 -17.396 1.00 41.52 N ATOM 149 CA SER A 11 -11.411 2.988 -17.145 1.00 2.21 C ATOM 150 C SER A 11 -11.936 3.312 -15.750 1.00 1.04 C ATOM 151 O SER A 11 -11.163 3.513 -14.814 1.00 64.31 O ATOM 152 CB SER A 11 -11.235 1.476 -17.298 1.00 11.12 C ATOM 153 OG SER A 11 -9.864 1.118 -17.285 1.00 40.22 O ATOM 0 H SER A 11 -9.354 3.296 -16.877 1.00 41.52 H new ATOM 0 HA SER A 11 -12.138 3.338 -17.878 1.00 2.21 H new ATOM 0 HB2 SER A 11 -11.756 0.963 -16.490 1.00 11.12 H new ATOM 0 HB3 SER A 11 -11.691 1.146 -18.231 1.00 11.12 H new ATOM 0 HG SER A 11 -9.779 0.147 -17.383 1.00 40.22 H new ATOM 159 N GLY A 12 -13.258 3.361 -15.618 1.00 52.32 N ATOM 160 CA GLY A 12 -13.865 3.661 -14.335 1.00 15.22 C ATOM 161 C GLY A 12 -14.377 5.086 -14.254 1.00 71.22 C ATOM 162 O GLY A 12 -15.507 5.324 -13.829 1.00 4.11 O ATOM 0 H GLY A 12 -13.919 3.198 -16.377 1.00 52.32 H new ATOM 0 HA2 GLY A 12 -14.690 2.971 -14.157 1.00 15.22 H new ATOM 0 HA3 GLY A 12 -13.134 3.495 -13.543 1.00 15.22 H new ATOM 166 N GLY A 13 -13.542 6.037 -14.663 1.00 34.14 N ATOM 167 CA GLY A 13 -13.934 7.434 -14.625 1.00 21.22 C ATOM 168 C GLY A 13 -12.787 8.347 -14.239 1.00 14.15 C ATOM 169 O GLY A 13 -11.667 7.889 -14.015 1.00 43.00 O ATOM 0 H GLY A 13 -12.602 5.865 -15.020 1.00 34.14 H new ATOM 0 HA2 GLY A 13 -14.315 7.728 -15.603 1.00 21.22 H new ATOM 0 HA3 GLY A 13 -14.750 7.560 -13.914 1.00 21.22 H new ATOM 173 N LYS A 14 -13.066 9.644 -14.161 1.00 34.21 N ATOM 174 CA LYS A 14 -12.050 10.625 -13.800 1.00 14.24 C ATOM 175 C LYS A 14 -12.653 11.749 -12.962 1.00 23.54 C ATOM 176 O LYS A 14 -13.737 12.248 -13.262 1.00 41.13 O ATOM 177 CB LYS A 14 -11.402 11.205 -15.058 1.00 44.24 C ATOM 178 CG LYS A 14 -9.912 11.462 -14.912 1.00 1.24 C ATOM 179 CD LYS A 14 -9.404 12.423 -15.974 1.00 34.11 C ATOM 180 CE LYS A 14 -8.542 13.519 -15.368 1.00 11.45 C ATOM 181 NZ LYS A 14 -9.351 14.487 -14.575 1.00 61.23 N ATOM 0 H LYS A 14 -13.988 10.040 -14.343 1.00 34.21 H new ATOM 0 HA LYS A 14 -11.288 10.120 -13.206 1.00 14.24 H new ATOM 0 HB2 LYS A 14 -11.564 10.519 -15.889 1.00 44.24 H new ATOM 0 HB3 LYS A 14 -11.900 12.140 -15.315 1.00 44.24 H new ATOM 0 HG2 LYS A 14 -9.708 11.871 -13.923 1.00 1.24 H new ATOM 0 HG3 LYS A 14 -9.371 10.519 -14.985 1.00 1.24 H new ATOM 0 HD2 LYS A 14 -8.826 11.873 -16.717 1.00 34.11 H new ATOM 0 HD3 LYS A 14 -10.250 12.871 -16.496 1.00 34.11 H new ATOM 0 HE2 LYS A 14 -7.782 13.071 -14.728 1.00 11.45 H new ATOM 0 HE3 LYS A 14 -8.017 14.049 -16.163 1.00 11.45 H new ATOM 0 HZ1 LYS A 14 -8.762 15.306 -14.321 1.00 61.23 H new ATOM 0 HZ2 LYS A 14 -10.163 14.807 -15.141 1.00 61.23 H new ATOM 0 HZ3 LYS A 14 -9.694 14.025 -13.708 1.00 61.23 H new ATOM 195 N VAL A 15 -11.942 12.142 -11.910 1.00 2.44 N ATOM 196 CA VAL A 15 -12.405 13.209 -11.030 1.00 32.32 C ATOM 197 C VAL A 15 -11.232 13.952 -10.402 1.00 45.32 C ATOM 198 O VAL A 15 -10.222 13.348 -10.038 1.00 11.23 O ATOM 199 CB VAL A 15 -13.309 12.659 -9.910 1.00 3.42 C ATOM 200 CG1 VAL A 15 -12.541 11.677 -9.038 1.00 54.01 C ATOM 201 CG2 VAL A 15 -13.873 13.799 -9.074 1.00 62.52 C ATOM 0 H VAL A 15 -11.043 11.738 -11.646 1.00 2.44 H new ATOM 0 HA VAL A 15 -12.980 13.900 -11.646 1.00 32.32 H new ATOM 0 HB VAL A 15 -14.143 12.126 -10.367 1.00 3.42 H new ATOM 0 HG11 VAL A 15 -13.195 11.299 -8.253 1.00 54.01 H new ATOM 0 HG12 VAL A 15 -12.190 10.846 -9.649 1.00 54.01 H new ATOM 0 HG13 VAL A 15 -11.687 12.182 -8.587 1.00 54.01 H new ATOM 0 HG21 VAL A 15 -14.509 13.393 -8.287 1.00 62.52 H new ATOM 0 HG22 VAL A 15 -13.054 14.360 -8.625 1.00 62.52 H new ATOM 0 HG23 VAL A 15 -14.460 14.461 -9.710 1.00 62.52 H new ATOM 211 N THR A 16 -11.370 15.269 -10.278 1.00 32.30 N ATOM 212 CA THR A 16 -10.322 16.096 -9.695 1.00 4.01 C ATOM 213 C THR A 16 -10.875 16.987 -8.589 1.00 33.22 C ATOM 214 O THR A 16 -11.943 17.583 -8.734 1.00 4.10 O ATOM 215 CB THR A 16 -9.646 16.980 -10.760 1.00 63.23 C ATOM 216 OG1 THR A 16 -8.475 17.597 -10.214 1.00 1.02 O ATOM 217 CG2 THR A 16 -10.603 18.051 -11.261 1.00 62.24 C ATOM 0 H THR A 16 -12.198 15.785 -10.574 1.00 32.30 H new ATOM 0 HA THR A 16 -9.582 15.416 -9.274 1.00 4.01 H new ATOM 0 HB THR A 16 -9.363 16.346 -11.600 1.00 63.23 H new ATOM 0 HG1 THR A 16 -8.050 18.156 -10.898 1.00 1.02 H new ATOM 0 HG21 THR A 16 -10.103 18.663 -12.012 1.00 62.24 H new ATOM 0 HG22 THR A 16 -11.480 17.578 -11.703 1.00 62.24 H new ATOM 0 HG23 THR A 16 -10.913 18.681 -10.427 1.00 62.24 H new ATOM 225 N PHE A 17 -10.143 17.074 -7.483 1.00 70.23 N ATOM 226 CA PHE A 17 -10.562 17.893 -6.351 1.00 64.45 C ATOM 227 C PHE A 17 -9.504 18.941 -6.018 1.00 72.01 C ATOM 228 O PHE A 17 -8.306 18.697 -6.162 1.00 11.21 O ATOM 229 CB PHE A 17 -10.827 17.012 -5.128 1.00 44.33 C ATOM 230 CG PHE A 17 -11.822 15.916 -5.383 1.00 1.53 C ATOM 231 CD1 PHE A 17 -11.434 14.741 -6.006 1.00 53.53 C ATOM 232 CD2 PHE A 17 -13.145 16.062 -4.999 1.00 33.22 C ATOM 233 CE1 PHE A 17 -12.348 13.731 -6.242 1.00 24.05 C ATOM 234 CE2 PHE A 17 -14.063 15.055 -5.231 1.00 62.30 C ATOM 235 CZ PHE A 17 -13.664 13.888 -5.854 1.00 42.43 C ATOM 0 H PHE A 17 -9.257 16.588 -7.346 1.00 70.23 H new ATOM 0 HA PHE A 17 -11.483 18.407 -6.626 1.00 64.45 H new ATOM 0 HB2 PHE A 17 -9.887 16.569 -4.799 1.00 44.33 H new ATOM 0 HB3 PHE A 17 -11.188 17.637 -4.311 1.00 44.33 H new ATOM 0 HD1 PHE A 17 -10.406 14.613 -6.311 1.00 53.53 H new ATOM 0 HD2 PHE A 17 -13.463 16.973 -4.513 1.00 33.22 H new ATOM 0 HE1 PHE A 17 -12.033 12.820 -6.729 1.00 24.05 H new ATOM 0 HE2 PHE A 17 -15.091 15.180 -4.926 1.00 62.30 H new ATOM 0 HZ PHE A 17 -14.380 13.100 -6.037 1.00 42.43 H new ATOM 245 N ARG A 18 -9.957 20.108 -5.573 1.00 0.44 N ATOM 246 CA ARG A 18 -9.051 21.195 -5.220 1.00 51.04 C ATOM 247 C ARG A 18 -8.816 21.240 -3.713 1.00 64.44 C ATOM 248 O ARG A 18 -9.759 21.364 -2.931 1.00 64.15 O ATOM 249 CB ARG A 18 -9.616 22.534 -5.699 1.00 20.21 C ATOM 250 CG ARG A 18 -8.565 23.466 -6.279 1.00 2.13 C ATOM 251 CD ARG A 18 -8.022 24.418 -5.224 1.00 61.22 C ATOM 252 NE ARG A 18 -8.437 25.797 -5.466 1.00 20.00 N ATOM 253 CZ ARG A 18 -7.812 26.853 -4.956 1.00 72.43 C ATOM 254 NH1 ARG A 18 -6.749 26.688 -4.181 1.00 73.51 N ATOM 255 NH2 ARG A 18 -8.250 28.077 -5.222 1.00 71.42 N ATOM 0 H ARG A 18 -10.946 20.325 -5.448 1.00 0.44 H new ATOM 0 HA ARG A 18 -8.096 21.013 -5.714 1.00 51.04 H new ATOM 0 HB2 ARG A 18 -10.380 22.347 -6.454 1.00 20.21 H new ATOM 0 HB3 ARG A 18 -10.108 23.031 -4.863 1.00 20.21 H new ATOM 0 HG2 ARG A 18 -7.747 22.879 -6.697 1.00 2.13 H new ATOM 0 HG3 ARG A 18 -8.998 24.039 -7.099 1.00 2.13 H new ATOM 0 HD2 ARG A 18 -8.367 24.103 -4.239 1.00 61.22 H new ATOM 0 HD3 ARG A 18 -6.933 24.364 -5.213 1.00 61.22 H new ATOM 0 HE ARG A 18 -9.251 25.958 -6.059 1.00 20.00 H new ATOM 0 HH11 ARG A 18 -6.409 25.749 -3.975 1.00 73.51 H new ATOM 0 HH12 ARG A 18 -6.271 27.500 -3.791 1.00 73.51 H new ATOM 0 HH21 ARG A 18 -9.067 28.208 -5.818 1.00 71.42 H new ATOM 0 HH22 ARG A 18 -7.770 28.887 -4.830 1.00 71.42 H new ATOM 269 N ILE A 19 -7.552 21.137 -3.314 1.00 75.00 N ATOM 270 CA ILE A 19 -7.194 21.166 -1.902 1.00 3.25 C ATOM 271 C ILE A 19 -6.177 22.266 -1.615 1.00 64.34 C ATOM 272 O ILE A 19 -5.163 22.382 -2.305 1.00 22.14 O ATOM 273 CB ILE A 19 -6.616 19.815 -1.439 1.00 53.33 C ATOM 274 CG1 ILE A 19 -7.521 18.667 -1.893 1.00 3.44 C ATOM 275 CG2 ILE A 19 -6.450 19.800 0.073 1.00 42.11 C ATOM 276 CD1 ILE A 19 -7.008 17.301 -1.496 1.00 24.02 C ATOM 0 H ILE A 19 -6.760 21.033 -3.948 1.00 75.00 H new ATOM 0 HA ILE A 19 -8.111 21.368 -1.349 1.00 3.25 H new ATOM 0 HB ILE A 19 -5.634 19.681 -1.893 1.00 53.33 H new ATOM 0 HG12 ILE A 19 -8.515 18.810 -1.470 1.00 3.44 H new ATOM 0 HG13 ILE A 19 -7.627 18.706 -2.977 1.00 3.44 H new ATOM 0 HG21 ILE A 19 -6.041 18.839 0.385 1.00 42.11 H new ATOM 0 HG22 ILE A 19 -5.771 20.598 0.372 1.00 42.11 H new ATOM 0 HG23 ILE A 19 -7.420 19.952 0.547 1.00 42.11 H new ATOM 0 HD11 ILE A 19 -7.699 16.536 -1.850 1.00 24.02 H new ATOM 0 HD12 ILE A 19 -6.026 17.138 -1.941 1.00 24.02 H new ATOM 0 HD13 ILE A 19 -6.929 17.244 -0.410 1.00 24.02 H new ATOM 288 N ILE A 20 -6.454 23.069 -0.594 1.00 25.23 N ATOM 289 CA ILE A 20 -5.561 24.157 -0.214 1.00 51.15 C ATOM 290 C ILE A 20 -4.605 23.724 0.892 1.00 60.24 C ATOM 291 O ILE A 20 -5.024 23.448 2.017 1.00 62.34 O ATOM 292 CB ILE A 20 -6.349 25.393 0.259 1.00 73.34 C ATOM 293 CG1 ILE A 20 -7.078 26.042 -0.920 1.00 33.42 C ATOM 294 CG2 ILE A 20 -5.417 26.392 0.927 1.00 62.02 C ATOM 295 CD1 ILE A 20 -8.345 25.317 -1.320 1.00 5.21 C ATOM 0 H ILE A 20 -7.290 22.987 -0.015 1.00 25.23 H new ATOM 0 HA ILE A 20 -4.988 24.419 -1.103 1.00 51.15 H new ATOM 0 HB ILE A 20 -7.092 25.074 0.990 1.00 73.34 H new ATOM 0 HG12 ILE A 20 -7.324 27.072 -0.662 1.00 33.42 H new ATOM 0 HG13 ILE A 20 -6.405 26.080 -1.777 1.00 33.42 H new ATOM 0 HG21 ILE A 20 -5.989 27.260 1.256 1.00 62.02 H new ATOM 0 HG22 ILE A 20 -4.940 25.925 1.788 1.00 62.02 H new ATOM 0 HG23 ILE A 20 -4.653 26.709 0.216 1.00 62.02 H new ATOM 0 HD11 ILE A 20 -8.809 25.832 -2.161 1.00 5.21 H new ATOM 0 HD12 ILE A 20 -8.103 24.294 -1.609 1.00 5.21 H new ATOM 0 HD13 ILE A 20 -9.037 25.302 -0.478 1.00 5.21 H new ATOM 307 N LEU A 21 -3.318 23.668 0.566 1.00 74.05 N ATOM 308 CA LEU A 21 -2.301 23.270 1.532 1.00 3.21 C ATOM 309 C LEU A 21 -1.993 24.409 2.499 1.00 52.11 C ATOM 310 O LEU A 21 -2.209 25.580 2.185 1.00 14.35 O ATOM 311 CB LEU A 21 -1.023 22.841 0.809 1.00 21.41 C ATOM 312 CG LEU A 21 -0.241 23.953 0.109 1.00 13.14 C ATOM 313 CD1 LEU A 21 1.252 23.672 0.164 1.00 62.34 C ATOM 314 CD2 LEU A 21 -0.705 24.105 -1.332 1.00 12.51 C ATOM 0 H LEU A 21 -2.955 23.893 -0.360 1.00 74.05 H new ATOM 0 HA LEU A 21 -2.689 22.427 2.104 1.00 3.21 H new ATOM 0 HB2 LEU A 21 -0.364 22.361 1.533 1.00 21.41 H new ATOM 0 HB3 LEU A 21 -1.285 22.087 0.067 1.00 21.41 H new ATOM 0 HG LEU A 21 -0.432 24.890 0.632 1.00 13.14 H new ATOM 0 HD11 LEU A 21 1.792 24.474 -0.339 1.00 62.34 H new ATOM 0 HD12 LEU A 21 1.573 23.615 1.204 1.00 62.34 H new ATOM 0 HD13 LEU A 21 1.463 22.725 -0.333 1.00 62.34 H new ATOM 0 HD21 LEU A 21 -0.138 24.901 -1.815 1.00 12.51 H new ATOM 0 HD22 LEU A 21 -0.544 23.169 -1.867 1.00 12.51 H new ATOM 0 HD23 LEU A 21 -1.766 24.354 -1.348 1.00 12.51 H new ATOM 326 N THR A 22 -1.485 24.058 3.676 1.00 11.24 N ATOM 327 CA THR A 22 -1.147 25.050 4.689 1.00 45.31 C ATOM 328 C THR A 22 0.329 25.428 4.617 1.00 74.10 C ATOM 329 O THR A 22 0.762 26.397 5.240 1.00 41.11 O ATOM 330 CB THR A 22 -1.465 24.538 6.106 1.00 31.21 C ATOM 331 OG1 THR A 22 -1.046 25.499 7.081 1.00 45.54 O ATOM 332 CG2 THR A 22 -0.775 23.208 6.369 1.00 64.04 C ATOM 0 H THR A 22 -1.299 23.094 3.951 1.00 11.24 H new ATOM 0 HA THR A 22 -1.756 25.931 4.484 1.00 45.31 H new ATOM 0 HB THR A 22 -2.543 24.392 6.181 1.00 31.21 H new ATOM 0 HG1 THR A 22 -0.418 26.129 6.670 1.00 45.54 H new ATOM 0 HG21 THR A 22 -1.015 22.867 7.376 1.00 64.04 H new ATOM 0 HG22 THR A 22 -1.119 22.470 5.644 1.00 64.04 H new ATOM 0 HG23 THR A 22 0.304 23.333 6.275 1.00 64.04 H new ATOM 340 N SER A 23 1.096 24.657 3.853 1.00 75.13 N ATOM 341 CA SER A 23 2.524 24.909 3.702 1.00 52.31 C ATOM 342 C SER A 23 2.775 26.024 2.691 1.00 73.34 C ATOM 343 O SER A 23 3.866 26.590 2.633 1.00 32.45 O ATOM 344 CB SER A 23 3.245 23.634 3.262 1.00 71.22 C ATOM 345 OG SER A 23 3.737 22.915 4.379 1.00 20.24 O ATOM 0 H SER A 23 0.752 23.852 3.329 1.00 75.13 H new ATOM 0 HA SER A 23 2.916 25.224 4.669 1.00 52.31 H new ATOM 0 HB2 SER A 23 2.562 23.004 2.693 1.00 71.22 H new ATOM 0 HB3 SER A 23 4.071 23.890 2.598 1.00 71.22 H new ATOM 0 HG SER A 23 4.192 22.104 4.071 1.00 20.24 H new ATOM 351 N GLU A 24 1.756 26.332 1.895 1.00 53.45 N ATOM 352 CA GLU A 24 1.866 27.378 0.884 1.00 10.35 C ATOM 353 C GLU A 24 0.644 28.292 0.911 1.00 32.44 C ATOM 354 O GLU A 24 0.036 28.564 -0.124 1.00 70.51 O ATOM 355 CB GLU A 24 2.024 26.760 -0.506 1.00 50.44 C ATOM 356 CG GLU A 24 2.431 27.762 -1.575 1.00 34.45 C ATOM 357 CD GLU A 24 3.811 27.485 -2.138 1.00 1.21 C ATOM 358 OE1 GLU A 24 4.106 26.308 -2.433 1.00 52.13 O ATOM 359 OE2 GLU A 24 4.596 28.445 -2.283 1.00 44.10 O ATOM 0 H GLU A 24 0.846 25.873 1.930 1.00 53.45 H new ATOM 0 HA GLU A 24 2.749 27.975 1.111 1.00 10.35 H new ATOM 0 HB2 GLU A 24 2.771 25.968 -0.459 1.00 50.44 H new ATOM 0 HB3 GLU A 24 1.082 26.294 -0.796 1.00 50.44 H new ATOM 0 HG2 GLU A 24 1.701 27.741 -2.384 1.00 34.45 H new ATOM 0 HG3 GLU A 24 2.410 28.767 -1.153 1.00 34.45 H new ATOM 366 N ARG A 25 0.290 28.761 2.103 1.00 15.22 N ATOM 367 CA ARG A 25 -0.861 29.642 2.266 1.00 4.21 C ATOM 368 C ARG A 25 -0.689 30.917 1.446 1.00 52.51 C ATOM 369 O ARG A 25 -1.663 31.605 1.139 1.00 43.43 O ATOM 370 CB ARG A 25 -1.055 29.995 3.742 1.00 20.40 C ATOM 371 CG ARG A 25 -2.432 30.556 4.058 1.00 23.31 C ATOM 372 CD ARG A 25 -2.357 32.020 4.463 1.00 72.35 C ATOM 373 NE ARG A 25 -2.232 32.182 5.908 1.00 12.55 N ATOM 374 CZ ARG A 25 -2.473 33.324 6.543 1.00 1.40 C ATOM 375 NH1 ARG A 25 -2.850 34.398 5.863 1.00 42.14 N ATOM 376 NH2 ARG A 25 -2.337 33.394 7.861 1.00 32.32 N ATOM 0 H ARG A 25 0.783 28.546 2.970 1.00 15.22 H new ATOM 0 HA ARG A 25 -1.745 29.115 1.906 1.00 4.21 H new ATOM 0 HB2 ARG A 25 -0.888 29.103 4.345 1.00 20.40 H new ATOM 0 HB3 ARG A 25 -0.299 30.724 4.035 1.00 20.40 H new ATOM 0 HG2 ARG A 25 -3.078 30.451 3.186 1.00 23.31 H new ATOM 0 HG3 ARG A 25 -2.886 29.977 4.863 1.00 23.31 H new ATOM 0 HD2 ARG A 25 -1.505 32.489 3.971 1.00 72.35 H new ATOM 0 HD3 ARG A 25 -3.251 32.538 4.116 1.00 72.35 H new ATOM 0 HE ARG A 25 -1.944 31.375 6.461 1.00 12.55 H new ATOM 0 HH11 ARG A 25 -2.956 34.349 4.850 1.00 42.14 H new ATOM 0 HH12 ARG A 25 -3.034 35.273 6.353 1.00 42.14 H new ATOM 0 HH21 ARG A 25 -2.047 32.570 8.388 1.00 32.32 H new ATOM 0 HH22 ARG A 25 -2.522 34.271 8.347 1.00 32.32 H new ATOM 390 N SER A 26 0.555 31.227 1.095 1.00 20.42 N ATOM 391 CA SER A 26 0.855 32.421 0.315 1.00 53.24 C ATOM 392 C SER A 26 0.107 32.403 -1.015 1.00 61.13 C ATOM 393 O SER A 26 -0.299 33.447 -1.525 1.00 35.25 O ATOM 394 CB SER A 26 2.360 32.529 0.065 1.00 63.52 C ATOM 395 OG SER A 26 2.919 33.619 0.776 1.00 12.43 O ATOM 0 H SER A 26 1.372 30.667 1.339 1.00 20.42 H new ATOM 0 HA SER A 26 0.526 33.289 0.886 1.00 53.24 H new ATOM 0 HB2 SER A 26 2.849 31.604 0.369 1.00 63.52 H new ATOM 0 HB3 SER A 26 2.546 32.653 -1.002 1.00 63.52 H new ATOM 0 HG SER A 26 3.882 33.665 0.600 1.00 12.43 H new ATOM 401 N GLN A 27 -0.069 31.209 -1.571 1.00 74.42 N ATOM 402 CA GLN A 27 -0.767 31.054 -2.842 1.00 72.21 C ATOM 403 C GLN A 27 -1.017 29.581 -3.150 1.00 43.12 C ATOM 404 O GLN A 27 -0.391 28.991 -4.031 1.00 41.44 O ATOM 405 CB GLN A 27 0.040 31.694 -3.973 1.00 22.14 C ATOM 406 CG GLN A 27 -0.462 33.071 -4.375 1.00 13.11 C ATOM 407 CD GLN A 27 -1.117 33.077 -5.742 1.00 42.03 C ATOM 408 OE1 GLN A 27 -2.225 32.569 -5.915 1.00 60.21 O ATOM 409 NE2 GLN A 27 -0.433 33.654 -6.724 1.00 11.04 N ATOM 0 H GLN A 27 0.262 30.335 -1.162 1.00 74.42 H new ATOM 0 HA GLN A 27 -1.730 31.558 -2.762 1.00 72.21 H new ATOM 0 HB2 GLN A 27 1.083 31.772 -3.665 1.00 22.14 H new ATOM 0 HB3 GLN A 27 0.013 31.038 -4.843 1.00 22.14 H new ATOM 0 HG2 GLN A 27 -1.177 33.424 -3.632 1.00 13.11 H new ATOM 0 HG3 GLN A 27 0.372 33.773 -4.373 1.00 13.11 H new ATOM 0 HE21 GLN A 27 0.482 34.063 -6.536 1.00 11.04 H new ATOM 0 HE22 GLN A 27 -0.823 33.688 -7.666 1.00 11.04 H new ATOM 418 N PRO A 28 -1.953 28.971 -2.408 1.00 5.01 N ATOM 419 CA PRO A 28 -2.306 27.559 -2.584 1.00 13.32 C ATOM 420 C PRO A 28 -3.041 27.305 -3.895 1.00 70.15 C ATOM 421 O PRO A 28 -3.854 28.121 -4.332 1.00 25.51 O ATOM 422 CB PRO A 28 -3.224 27.273 -1.393 1.00 21.44 C ATOM 423 CG PRO A 28 -3.804 28.597 -1.034 1.00 3.15 C ATOM 424 CD PRO A 28 -2.738 29.613 -1.340 1.00 62.51 C ATOM 0 HA PRO A 28 -1.424 26.920 -2.624 1.00 13.32 H new ATOM 0 HB2 PRO A 28 -4.003 26.558 -1.657 1.00 21.44 H new ATOM 0 HB3 PRO A 28 -2.668 26.845 -0.559 1.00 21.44 H new ATOM 0 HG2 PRO A 28 -4.709 28.795 -1.609 1.00 3.15 H new ATOM 0 HG3 PRO A 28 -4.082 28.628 0.019 1.00 3.15 H new ATOM 0 HD2 PRO A 28 -3.167 30.559 -1.670 1.00 62.51 H new ATOM 0 HD3 PRO A 28 -2.125 29.829 -0.465 1.00 62.51 H new ATOM 432 N PHE A 29 -2.751 26.168 -4.520 1.00 42.41 N ATOM 433 CA PHE A 29 -3.384 25.807 -5.783 1.00 20.20 C ATOM 434 C PHE A 29 -3.027 24.378 -6.181 1.00 65.20 C ATOM 435 O PHE A 29 -2.806 24.086 -7.357 1.00 13.24 O ATOM 436 CB PHE A 29 -2.959 26.777 -6.887 1.00 51.21 C ATOM 437 CG PHE A 29 -1.525 26.619 -7.305 1.00 73.34 C ATOM 438 CD1 PHE A 29 -1.206 26.203 -8.588 1.00 1.21 C ATOM 439 CD2 PHE A 29 -0.497 26.885 -6.416 1.00 21.23 C ATOM 440 CE1 PHE A 29 0.113 26.057 -8.976 1.00 74.33 C ATOM 441 CE2 PHE A 29 0.823 26.741 -6.798 1.00 62.55 C ATOM 442 CZ PHE A 29 1.128 26.325 -8.080 1.00 24.22 C ATOM 0 H PHE A 29 -2.082 25.481 -4.172 1.00 42.41 H new ATOM 0 HA PHE A 29 -4.464 25.870 -5.650 1.00 20.20 H new ATOM 0 HB2 PHE A 29 -3.601 26.630 -7.756 1.00 51.21 H new ATOM 0 HB3 PHE A 29 -3.118 27.799 -6.543 1.00 51.21 H new ATOM 0 HD1 PHE A 29 -1.997 25.991 -9.293 1.00 1.21 H new ATOM 0 HD2 PHE A 29 -0.730 27.209 -5.412 1.00 21.23 H new ATOM 0 HE1 PHE A 29 0.349 25.734 -9.979 1.00 74.33 H new ATOM 0 HE2 PHE A 29 1.615 26.953 -6.096 1.00 62.55 H new ATOM 0 HZ PHE A 29 2.159 26.210 -8.380 1.00 24.22 H new ATOM 452 N ARG A 30 -2.970 23.491 -5.193 1.00 14.14 N ATOM 453 CA ARG A 30 -2.638 22.093 -5.438 1.00 71.05 C ATOM 454 C ARG A 30 -3.901 21.262 -5.646 1.00 51.44 C ATOM 455 O ARG A 30 -4.713 21.109 -4.734 1.00 13.20 O ATOM 456 CB ARG A 30 -1.829 21.526 -4.271 1.00 4.23 C ATOM 457 CG ARG A 30 -0.328 21.714 -4.422 1.00 1.31 C ATOM 458 CD ARG A 30 0.210 20.958 -5.627 1.00 32.15 C ATOM 459 NE ARG A 30 1.665 20.843 -5.596 1.00 4.23 N ATOM 460 CZ ARG A 30 2.488 21.866 -5.800 1.00 53.31 C ATOM 461 NH1 ARG A 30 2.000 23.074 -6.048 1.00 71.12 N ATOM 462 NH2 ARG A 30 3.801 21.683 -5.756 1.00 21.52 N ATOM 0 H ARG A 30 -3.150 23.716 -4.215 1.00 14.14 H new ATOM 0 HA ARG A 30 -2.037 22.043 -6.346 1.00 71.05 H new ATOM 0 HB2 ARG A 30 -2.155 22.004 -3.347 1.00 4.23 H new ATOM 0 HB3 ARG A 30 -2.045 20.462 -4.173 1.00 4.23 H new ATOM 0 HG2 ARG A 30 -0.102 22.775 -4.526 1.00 1.31 H new ATOM 0 HG3 ARG A 30 0.176 21.368 -3.519 1.00 1.31 H new ATOM 0 HD2 ARG A 30 -0.232 19.962 -5.657 1.00 32.15 H new ATOM 0 HD3 ARG A 30 -0.094 21.469 -6.541 1.00 32.15 H new ATOM 0 HE ARG A 30 2.072 19.927 -5.407 1.00 4.23 H new ATOM 0 HH11 ARG A 30 0.991 23.219 -6.082 1.00 71.12 H new ATOM 0 HH12 ARG A 30 2.634 23.858 -6.204 1.00 71.12 H new ATOM 0 HH21 ARG A 30 4.181 20.756 -5.565 1.00 21.52 H new ATOM 0 HH22 ARG A 30 4.431 22.470 -5.913 1.00 21.52 H new ATOM 476 N VAL A 31 -4.060 20.728 -6.853 1.00 51.53 N ATOM 477 CA VAL A 31 -5.223 19.913 -7.181 1.00 55.14 C ATOM 478 C VAL A 31 -4.837 18.448 -7.353 1.00 51.43 C ATOM 479 O VAL A 31 -3.818 18.133 -7.968 1.00 3.11 O ATOM 480 CB VAL A 31 -5.909 20.406 -8.469 1.00 54.32 C ATOM 481 CG1 VAL A 31 -7.245 19.705 -8.665 1.00 50.21 C ATOM 482 CG2 VAL A 31 -6.091 21.916 -8.431 1.00 11.21 C ATOM 0 H VAL A 31 -3.398 20.845 -7.620 1.00 51.53 H new ATOM 0 HA VAL A 31 -5.920 20.007 -6.348 1.00 55.14 H new ATOM 0 HB VAL A 31 -5.269 20.161 -9.317 1.00 54.32 H new ATOM 0 HG11 VAL A 31 -7.715 20.066 -9.580 1.00 50.21 H new ATOM 0 HG12 VAL A 31 -7.084 18.630 -8.740 1.00 50.21 H new ATOM 0 HG13 VAL A 31 -7.895 19.916 -7.816 1.00 50.21 H new ATOM 0 HG21 VAL A 31 -6.577 22.247 -9.349 1.00 11.21 H new ATOM 0 HG22 VAL A 31 -6.709 22.187 -7.575 1.00 11.21 H new ATOM 0 HG23 VAL A 31 -5.117 22.398 -8.342 1.00 11.21 H new ATOM 492 N ILE A 32 -5.658 17.558 -6.807 1.00 61.31 N ATOM 493 CA ILE A 32 -5.403 16.126 -6.902 1.00 22.33 C ATOM 494 C ILE A 32 -6.352 15.463 -7.894 1.00 65.35 C ATOM 495 O ILE A 32 -7.571 15.535 -7.746 1.00 73.12 O ATOM 496 CB ILE A 32 -5.547 15.436 -5.532 1.00 52.50 C ATOM 497 CG1 ILE A 32 -6.921 15.736 -4.928 1.00 43.22 C ATOM 498 CG2 ILE A 32 -4.439 15.888 -4.592 1.00 54.43 C ATOM 499 CD1 ILE A 32 -7.750 14.498 -4.670 1.00 13.04 C ATOM 0 H ILE A 32 -6.505 17.803 -6.294 1.00 61.31 H new ATOM 0 HA ILE A 32 -4.377 16.011 -7.252 1.00 22.33 H new ATOM 0 HB ILE A 32 -5.460 14.359 -5.673 1.00 52.50 H new ATOM 0 HG12 ILE A 32 -6.787 16.276 -3.991 1.00 43.22 H new ATOM 0 HG13 ILE A 32 -7.468 16.396 -5.601 1.00 43.22 H new ATOM 0 HG21 ILE A 32 -4.554 15.392 -3.628 1.00 54.43 H new ATOM 0 HG22 ILE A 32 -3.471 15.629 -5.020 1.00 54.43 H new ATOM 0 HG23 ILE A 32 -4.497 16.968 -4.453 1.00 54.43 H new ATOM 0 HD11 ILE A 32 -8.710 14.786 -4.242 1.00 13.04 H new ATOM 0 HD12 ILE A 32 -7.915 13.969 -5.608 1.00 13.04 H new ATOM 0 HD13 ILE A 32 -7.223 13.846 -3.973 1.00 13.04 H new ATOM 511 N SER A 33 -5.783 14.815 -8.906 1.00 44.02 N ATOM 512 CA SER A 33 -6.578 14.140 -9.925 1.00 64.14 C ATOM 513 C SER A 33 -6.556 12.629 -9.718 1.00 71.53 C ATOM 514 O SER A 33 -5.491 12.013 -9.668 1.00 44.24 O ATOM 515 CB SER A 33 -6.053 14.482 -11.321 1.00 51.42 C ATOM 516 OG SER A 33 -5.859 15.879 -11.465 1.00 33.22 O ATOM 0 H SER A 33 -4.775 14.743 -9.042 1.00 44.02 H new ATOM 0 HA SER A 33 -7.608 14.487 -9.836 1.00 64.14 H new ATOM 0 HB2 SER A 33 -5.112 13.961 -11.497 1.00 51.42 H new ATOM 0 HB3 SER A 33 -6.758 14.130 -12.074 1.00 51.42 H new ATOM 0 HG SER A 33 -5.522 16.071 -12.365 1.00 33.22 H new ATOM 522 N ILE A 34 -7.740 12.037 -9.598 1.00 41.43 N ATOM 523 CA ILE A 34 -7.858 10.598 -9.398 1.00 1.53 C ATOM 524 C ILE A 34 -9.094 10.045 -10.098 1.00 14.30 C ATOM 525 O ILE A 34 -10.090 10.748 -10.269 1.00 43.34 O ATOM 526 CB ILE A 34 -7.927 10.243 -7.901 1.00 31.51 C ATOM 527 CG1 ILE A 34 -6.818 10.962 -7.131 1.00 43.43 C ATOM 528 CG2 ILE A 34 -7.821 8.737 -7.709 1.00 72.01 C ATOM 529 CD1 ILE A 34 -6.881 10.745 -5.636 1.00 0.33 C ATOM 0 H ILE A 34 -8.631 12.532 -9.636 1.00 41.43 H new ATOM 0 HA ILE A 34 -6.966 10.144 -9.830 1.00 1.53 H new ATOM 0 HB ILE A 34 -8.889 10.574 -7.509 1.00 31.51 H new ATOM 0 HG12 ILE A 34 -5.851 10.620 -7.499 1.00 43.43 H new ATOM 0 HG13 ILE A 34 -6.878 12.031 -7.338 1.00 43.43 H new ATOM 0 HG21 ILE A 34 -7.871 8.501 -6.646 1.00 72.01 H new ATOM 0 HG22 ILE A 34 -8.643 8.245 -8.229 1.00 72.01 H new ATOM 0 HG23 ILE A 34 -6.873 8.384 -8.114 1.00 72.01 H new ATOM 0 HD11 ILE A 34 -6.065 11.284 -5.155 1.00 0.33 H new ATOM 0 HD12 ILE A 34 -7.833 11.113 -5.255 1.00 0.33 H new ATOM 0 HD13 ILE A 34 -6.791 9.681 -5.419 1.00 0.33 H new ATOM 541 N ALA A 35 -9.024 8.780 -10.499 1.00 52.22 N ATOM 542 CA ALA A 35 -10.139 8.131 -11.177 1.00 72.13 C ATOM 543 C ALA A 35 -11.255 7.790 -10.196 1.00 33.13 C ATOM 544 O ALA A 35 -11.004 7.552 -9.015 1.00 2.42 O ATOM 545 CB ALA A 35 -9.663 6.876 -11.894 1.00 44.42 C ATOM 0 H ALA A 35 -8.207 8.184 -10.366 1.00 52.22 H new ATOM 0 HA ALA A 35 -10.539 8.828 -11.914 1.00 72.13 H new ATOM 0 HB1 ALA A 35 -10.506 6.402 -12.396 1.00 44.42 H new ATOM 0 HB2 ALA A 35 -8.906 7.143 -12.631 1.00 44.42 H new ATOM 0 HB3 ALA A 35 -9.236 6.183 -11.169 1.00 44.42 H new ATOM 551 N GLU A 36 -12.488 7.768 -10.693 1.00 11.45 N ATOM 552 CA GLU A 36 -13.642 7.458 -9.857 1.00 73.23 C ATOM 553 C GLU A 36 -13.517 6.062 -9.253 1.00 70.15 C ATOM 554 O GLU A 36 -14.112 5.768 -8.217 1.00 71.44 O ATOM 555 CB GLU A 36 -14.933 7.558 -10.674 1.00 5.33 C ATOM 556 CG GLU A 36 -16.042 8.320 -9.968 1.00 23.23 C ATOM 557 CD GLU A 36 -17.424 7.886 -10.416 1.00 41.32 C ATOM 558 OE1 GLU A 36 -17.951 6.906 -9.849 1.00 2.43 O ATOM 559 OE2 GLU A 36 -17.978 8.526 -11.334 1.00 53.10 O ATOM 0 H GLU A 36 -12.713 7.961 -11.669 1.00 11.45 H new ATOM 0 HA GLU A 36 -13.676 8.185 -9.045 1.00 73.23 H new ATOM 0 HB2 GLU A 36 -14.715 8.047 -11.624 1.00 5.33 H new ATOM 0 HB3 GLU A 36 -15.285 6.553 -10.906 1.00 5.33 H new ATOM 0 HG2 GLU A 36 -15.950 8.174 -8.892 1.00 23.23 H new ATOM 0 HG3 GLU A 36 -15.921 9.387 -10.156 1.00 23.23 H new ATOM 566 N GLU A 37 -12.739 5.207 -9.910 1.00 51.02 N ATOM 567 CA GLU A 37 -12.537 3.842 -9.439 1.00 31.01 C ATOM 568 C GLU A 37 -11.078 3.608 -9.058 1.00 41.22 C ATOM 569 O GLU A 37 -10.671 2.481 -8.779 1.00 73.30 O ATOM 570 CB GLU A 37 -12.962 2.839 -10.514 1.00 11.52 C ATOM 571 CG GLU A 37 -14.075 1.905 -10.069 1.00 4.11 C ATOM 572 CD GLU A 37 -14.058 0.583 -10.811 1.00 63.12 C ATOM 573 OE1 GLU A 37 -13.290 -0.315 -10.406 1.00 5.53 O ATOM 574 OE2 GLU A 37 -14.812 0.446 -11.797 1.00 23.51 O ATOM 0 H GLU A 37 -12.239 5.435 -10.769 1.00 51.02 H new ATOM 0 HA GLU A 37 -13.154 3.696 -8.552 1.00 31.01 H new ATOM 0 HB2 GLU A 37 -13.289 3.385 -11.399 1.00 11.52 H new ATOM 0 HB3 GLU A 37 -12.096 2.245 -10.808 1.00 11.52 H new ATOM 0 HG2 GLU A 37 -13.982 1.718 -8.999 1.00 4.11 H new ATOM 0 HG3 GLU A 37 -15.037 2.392 -10.225 1.00 4.11 H new ATOM 581 N ALA A 38 -10.295 4.682 -9.050 1.00 53.22 N ATOM 582 CA ALA A 38 -8.882 4.595 -8.703 1.00 13.21 C ATOM 583 C ALA A 38 -8.684 4.648 -7.192 1.00 32.52 C ATOM 584 O ALA A 38 -9.515 5.172 -6.450 1.00 74.03 O ATOM 585 CB ALA A 38 -8.103 5.714 -9.378 1.00 60.14 C ATOM 0 H ALA A 38 -10.616 5.623 -9.280 1.00 53.22 H new ATOM 0 HA ALA A 38 -8.504 3.637 -9.060 1.00 13.21 H new ATOM 0 HB1 ALA A 38 -7.049 5.637 -9.110 1.00 60.14 H new ATOM 0 HB2 ALA A 38 -8.209 5.630 -10.460 1.00 60.14 H new ATOM 0 HB3 ALA A 38 -8.491 6.678 -9.049 1.00 60.14 H new ATOM 591 N PRO A 39 -7.558 4.091 -6.722 1.00 62.23 N ATOM 592 CA PRO A 39 -7.225 4.061 -5.295 1.00 44.41 C ATOM 593 C PRO A 39 -6.884 5.445 -4.751 1.00 32.54 C ATOM 594 O PRO A 39 -6.503 6.342 -5.503 1.00 5.34 O ATOM 595 CB PRO A 39 -5.999 3.147 -5.236 1.00 23.22 C ATOM 596 CG PRO A 39 -5.382 3.251 -6.588 1.00 54.20 C ATOM 597 CD PRO A 39 -6.522 3.448 -7.549 1.00 35.34 C ATOM 0 HA PRO A 39 -8.061 3.714 -4.688 1.00 44.41 H new ATOM 0 HB2 PRO A 39 -5.305 3.466 -4.459 1.00 23.22 H new ATOM 0 HB3 PRO A 39 -6.282 2.119 -5.008 1.00 23.22 H new ATOM 0 HG2 PRO A 39 -4.683 4.086 -6.635 1.00 54.20 H new ATOM 0 HG3 PRO A 39 -4.819 2.350 -6.830 1.00 54.20 H new ATOM 0 HD2 PRO A 39 -6.233 4.076 -8.392 1.00 35.34 H new ATOM 0 HD3 PRO A 39 -6.868 2.500 -7.962 1.00 35.34 H new ATOM 605 N LEU A 40 -7.024 5.610 -3.440 1.00 51.10 N ATOM 606 CA LEU A 40 -6.731 6.885 -2.794 1.00 64.23 C ATOM 607 C LEU A 40 -5.243 7.210 -2.883 1.00 11.41 C ATOM 608 O LEU A 40 -4.843 8.372 -2.792 1.00 35.35 O ATOM 609 CB LEU A 40 -7.170 6.850 -1.330 1.00 13.24 C ATOM 610 CG LEU A 40 -6.588 5.719 -0.481 1.00 15.34 C ATOM 611 CD1 LEU A 40 -6.210 6.230 0.901 1.00 21.41 C ATOM 612 CD2 LEU A 40 -7.579 4.569 -0.373 1.00 40.05 C ATOM 0 H LEU A 40 -7.338 4.877 -2.804 1.00 51.10 H new ATOM 0 HA LEU A 40 -7.287 7.665 -3.315 1.00 64.23 H new ATOM 0 HB2 LEU A 40 -6.900 7.800 -0.868 1.00 13.24 H new ATOM 0 HB3 LEU A 40 -8.257 6.778 -1.299 1.00 13.24 H new ATOM 0 HG LEU A 40 -5.686 5.351 -0.970 1.00 15.34 H new ATOM 0 HD11 LEU A 40 -5.798 5.412 1.491 1.00 21.41 H new ATOM 0 HD12 LEU A 40 -5.465 7.020 0.806 1.00 21.41 H new ATOM 0 HD13 LEU A 40 -7.096 6.625 1.398 1.00 21.41 H new ATOM 0 HD21 LEU A 40 -7.148 3.773 0.235 1.00 40.05 H new ATOM 0 HD22 LEU A 40 -8.499 4.924 0.093 1.00 40.05 H new ATOM 0 HD23 LEU A 40 -7.801 4.185 -1.369 1.00 40.05 H new ATOM 624 N THR A 41 -4.426 6.177 -3.064 1.00 10.33 N ATOM 625 CA THR A 41 -2.983 6.353 -3.166 1.00 61.11 C ATOM 626 C THR A 41 -2.630 7.406 -4.211 1.00 21.45 C ATOM 627 O THR A 41 -1.611 8.087 -4.099 1.00 72.00 O ATOM 628 CB THR A 41 -2.280 5.031 -3.528 1.00 74.14 C ATOM 629 OG1 THR A 41 -3.157 3.926 -3.280 1.00 50.22 O ATOM 630 CG2 THR A 41 -1.001 4.860 -2.724 1.00 24.11 C ATOM 0 H THR A 41 -4.739 5.210 -3.143 1.00 10.33 H new ATOM 0 HA THR A 41 -2.635 6.685 -2.188 1.00 61.11 H new ATOM 0 HB THR A 41 -2.023 5.060 -4.587 1.00 74.14 H new ATOM 0 HG1 THR A 41 -2.703 3.089 -3.514 1.00 50.22 H new ATOM 0 HG21 THR A 41 -0.523 3.919 -2.997 1.00 24.11 H new ATOM 0 HG22 THR A 41 -0.324 5.687 -2.937 1.00 24.11 H new ATOM 0 HG23 THR A 41 -1.238 4.851 -1.660 1.00 24.11 H new ATOM 638 N ALA A 42 -3.479 7.534 -5.225 1.00 64.11 N ATOM 639 CA ALA A 42 -3.257 8.506 -6.288 1.00 51.12 C ATOM 640 C ALA A 42 -3.187 9.923 -5.730 1.00 42.50 C ATOM 641 O ALA A 42 -2.472 10.774 -6.259 1.00 3.13 O ATOM 642 CB ALA A 42 -4.356 8.403 -7.335 1.00 53.02 C ATOM 0 H ALA A 42 -4.327 6.977 -5.333 1.00 64.11 H new ATOM 0 HA ALA A 42 -2.300 8.281 -6.758 1.00 51.12 H new ATOM 0 HB1 ALA A 42 -4.178 9.135 -8.123 1.00 53.02 H new ATOM 0 HB2 ALA A 42 -4.357 7.401 -7.764 1.00 53.02 H new ATOM 0 HB3 ALA A 42 -5.322 8.600 -6.869 1.00 53.02 H new ATOM 648 N ALA A 43 -3.934 10.170 -4.659 1.00 52.52 N ATOM 649 CA ALA A 43 -3.955 11.485 -4.029 1.00 32.41 C ATOM 650 C ALA A 43 -2.609 11.809 -3.391 1.00 44.21 C ATOM 651 O ALA A 43 -2.134 12.944 -3.462 1.00 30.34 O ATOM 652 CB ALA A 43 -5.064 11.554 -2.989 1.00 71.34 C ATOM 0 H ALA A 43 -4.533 9.477 -4.209 1.00 52.52 H new ATOM 0 HA ALA A 43 -4.150 12.228 -4.802 1.00 32.41 H new ATOM 0 HB1 ALA A 43 -5.068 12.541 -2.527 1.00 71.34 H new ATOM 0 HB2 ALA A 43 -6.026 11.374 -3.470 1.00 71.34 H new ATOM 0 HB3 ALA A 43 -4.894 10.796 -2.225 1.00 71.34 H new ATOM 658 N LEU A 44 -1.998 10.808 -2.768 1.00 64.53 N ATOM 659 CA LEU A 44 -0.705 10.987 -2.117 1.00 23.33 C ATOM 660 C LEU A 44 0.292 11.653 -3.059 1.00 43.32 C ATOM 661 O LEU A 44 1.184 12.380 -2.622 1.00 3.33 O ATOM 662 CB LEU A 44 -0.157 9.638 -1.647 1.00 62.24 C ATOM 663 CG LEU A 44 1.030 9.694 -0.685 1.00 63.32 C ATOM 664 CD1 LEU A 44 0.555 9.593 0.756 1.00 53.42 C ATOM 665 CD2 LEU A 44 2.024 8.585 -0.999 1.00 60.22 C ATOM 0 H LEU A 44 -2.377 9.864 -2.700 1.00 64.53 H new ATOM 0 HA LEU A 44 -0.848 11.635 -1.253 1.00 23.33 H new ATOM 0 HB2 LEU A 44 -0.965 9.089 -1.164 1.00 62.24 H new ATOM 0 HB3 LEU A 44 0.139 9.063 -2.524 1.00 62.24 H new ATOM 0 HG LEU A 44 1.532 10.653 -0.814 1.00 63.32 H new ATOM 0 HD11 LEU A 44 1.414 9.635 1.426 1.00 53.42 H new ATOM 0 HD12 LEU A 44 -0.118 10.422 0.976 1.00 53.42 H new ATOM 0 HD13 LEU A 44 0.028 8.650 0.900 1.00 53.42 H new ATOM 0 HD21 LEU A 44 2.862 8.640 -0.304 1.00 60.22 H new ATOM 0 HD22 LEU A 44 1.533 7.617 -0.899 1.00 60.22 H new ATOM 0 HD23 LEU A 44 2.390 8.702 -2.019 1.00 60.22 H new ATOM 677 N ARG A 45 0.133 11.402 -4.354 1.00 41.35 N ATOM 678 CA ARG A 45 1.019 11.979 -5.359 1.00 34.01 C ATOM 679 C ARG A 45 1.061 13.499 -5.238 1.00 13.51 C ATOM 680 O ARG A 45 2.134 14.097 -5.162 1.00 5.21 O ATOM 681 CB ARG A 45 0.560 11.581 -6.763 1.00 32.00 C ATOM 682 CG ARG A 45 1.624 11.778 -7.830 1.00 71.02 C ATOM 683 CD ARG A 45 1.045 12.415 -9.084 1.00 34.14 C ATOM 684 NE ARG A 45 0.246 11.469 -9.859 1.00 11.41 N ATOM 685 CZ ARG A 45 -0.487 11.816 -10.911 1.00 14.32 C ATOM 686 NH1 ARG A 45 -0.522 13.080 -11.311 1.00 75.21 N ATOM 687 NH2 ARG A 45 -1.187 10.898 -11.565 1.00 13.20 N ATOM 0 H ARG A 45 -0.601 10.803 -4.733 1.00 41.35 H new ATOM 0 HA ARG A 45 2.023 11.590 -5.188 1.00 34.01 H new ATOM 0 HB2 ARG A 45 0.256 10.534 -6.754 1.00 32.00 H new ATOM 0 HB3 ARG A 45 -0.321 12.166 -7.028 1.00 32.00 H new ATOM 0 HG2 ARG A 45 2.423 12.407 -7.437 1.00 71.02 H new ATOM 0 HG3 ARG A 45 2.070 10.816 -8.082 1.00 71.02 H new ATOM 0 HD2 ARG A 45 0.427 13.268 -8.805 1.00 34.14 H new ATOM 0 HD3 ARG A 45 1.856 12.798 -9.704 1.00 34.14 H new ATOM 0 HE ARG A 45 0.251 10.489 -9.577 1.00 11.41 H new ATOM 0 HH11 ARG A 45 0.015 13.788 -10.811 1.00 75.21 H new ATOM 0 HH12 ARG A 45 -1.086 13.344 -12.119 1.00 75.21 H new ATOM 0 HH21 ARG A 45 -1.163 9.925 -11.260 1.00 13.20 H new ATOM 0 HH22 ARG A 45 -1.750 11.165 -12.373 1.00 13.20 H new ATOM 701 N PHE A 46 -0.115 14.119 -5.221 1.00 44.42 N ATOM 702 CA PHE A 46 -0.212 15.570 -5.111 1.00 53.21 C ATOM 703 C PHE A 46 -0.210 16.006 -3.649 1.00 1.02 C ATOM 704 O PHE A 46 0.160 17.135 -3.327 1.00 24.40 O ATOM 705 CB PHE A 46 -1.482 16.071 -5.802 1.00 51.02 C ATOM 706 CG PHE A 46 -1.238 16.625 -7.177 1.00 2.02 C ATOM 707 CD1 PHE A 46 -0.415 17.725 -7.359 1.00 13.03 C ATOM 708 CD2 PHE A 46 -1.831 16.046 -8.287 1.00 32.00 C ATOM 709 CE1 PHE A 46 -0.188 18.237 -8.622 1.00 50.13 C ATOM 710 CE2 PHE A 46 -1.607 16.553 -9.553 1.00 13.31 C ATOM 711 CZ PHE A 46 -0.786 17.651 -9.721 1.00 23.03 C ATOM 0 H PHE A 46 -1.013 13.639 -5.282 1.00 44.42 H new ATOM 0 HA PHE A 46 0.658 16.006 -5.603 1.00 53.21 H new ATOM 0 HB2 PHE A 46 -2.196 15.250 -5.871 1.00 51.02 H new ATOM 0 HB3 PHE A 46 -1.942 16.843 -5.184 1.00 51.02 H new ATOM 0 HD1 PHE A 46 0.055 18.188 -6.503 1.00 13.03 H new ATOM 0 HD2 PHE A 46 -2.476 15.189 -8.162 1.00 32.00 H new ATOM 0 HE1 PHE A 46 0.456 19.094 -8.750 1.00 50.13 H new ATOM 0 HE2 PHE A 46 -2.074 16.091 -10.410 1.00 13.31 H new ATOM 0 HZ PHE A 46 -0.612 18.051 -10.709 1.00 23.03 H new ATOM 721 N ALA A 47 -0.627 15.103 -2.768 1.00 22.43 N ATOM 722 CA ALA A 47 -0.672 15.392 -1.340 1.00 2.12 C ATOM 723 C ALA A 47 0.733 15.508 -0.759 1.00 3.13 C ATOM 724 O ALA A 47 0.966 16.268 0.181 1.00 53.22 O ATOM 725 CB ALA A 47 -1.461 14.317 -0.608 1.00 23.52 C ATOM 0 H ALA A 47 -0.939 14.165 -3.018 1.00 22.43 H new ATOM 0 HA ALA A 47 -1.173 16.350 -1.204 1.00 2.12 H new ATOM 0 HB1 ALA A 47 -1.486 14.546 0.457 1.00 23.52 H new ATOM 0 HB2 ALA A 47 -2.479 14.285 -0.996 1.00 23.52 H new ATOM 0 HB3 ALA A 47 -0.984 13.349 -0.760 1.00 23.52 H new ATOM 731 N ALA A 48 1.667 14.749 -1.323 1.00 74.03 N ATOM 732 CA ALA A 48 3.049 14.768 -0.862 1.00 1.04 C ATOM 733 C ALA A 48 3.639 16.172 -0.951 1.00 75.54 C ATOM 734 O ALA A 48 4.442 16.572 -0.110 1.00 31.44 O ATOM 735 CB ALA A 48 3.888 13.788 -1.668 1.00 44.42 C ATOM 0 H ALA A 48 1.491 14.113 -2.101 1.00 74.03 H new ATOM 0 HA ALA A 48 3.061 14.464 0.185 1.00 1.04 H new ATOM 0 HB1 ALA A 48 4.918 13.813 -1.313 1.00 44.42 H new ATOM 0 HB2 ALA A 48 3.487 12.782 -1.548 1.00 44.42 H new ATOM 0 HB3 ALA A 48 3.861 14.066 -2.721 1.00 44.42 H new ATOM 741 N GLU A 49 3.234 16.914 -1.978 1.00 23.25 N ATOM 742 CA GLU A 49 3.725 18.272 -2.177 1.00 11.42 C ATOM 743 C GLU A 49 2.975 19.258 -1.286 1.00 35.04 C ATOM 744 O GLU A 49 3.551 20.226 -0.791 1.00 23.32 O ATOM 745 CB GLU A 49 3.579 18.681 -3.644 1.00 55.11 C ATOM 746 CG GLU A 49 4.020 17.606 -4.622 1.00 60.34 C ATOM 747 CD GLU A 49 4.668 18.180 -5.867 1.00 71.04 C ATOM 748 OE1 GLU A 49 5.909 18.318 -5.880 1.00 22.04 O ATOM 749 OE2 GLU A 49 3.934 18.492 -6.829 1.00 25.53 O ATOM 0 H GLU A 49 2.569 16.598 -2.683 1.00 23.25 H new ATOM 0 HA GLU A 49 4.780 18.293 -1.905 1.00 11.42 H new ATOM 0 HB2 GLU A 49 2.537 18.933 -3.840 1.00 55.11 H new ATOM 0 HB3 GLU A 49 4.164 19.583 -3.821 1.00 55.11 H new ATOM 0 HG2 GLU A 49 4.723 16.936 -4.127 1.00 60.34 H new ATOM 0 HG3 GLU A 49 3.157 17.006 -4.910 1.00 60.34 H new ATOM 756 N GLU A 50 1.685 19.004 -1.087 1.00 31.20 N ATOM 757 CA GLU A 50 0.855 19.869 -0.257 1.00 4.31 C ATOM 758 C GLU A 50 1.409 19.955 1.162 1.00 1.45 C ATOM 759 O GLU A 50 1.476 21.035 1.750 1.00 13.14 O ATOM 760 CB GLU A 50 -0.585 19.354 -0.224 1.00 21.22 C ATOM 761 CG GLU A 50 -1.338 19.568 -1.526 1.00 60.40 C ATOM 762 CD GLU A 50 -2.842 19.596 -1.332 1.00 43.44 C ATOM 763 OE1 GLU A 50 -3.352 20.606 -0.802 1.00 24.53 O ATOM 764 OE2 GLU A 50 -3.508 18.611 -1.711 1.00 32.31 O ATOM 0 H GLU A 50 1.193 18.206 -1.489 1.00 31.20 H new ATOM 0 HA GLU A 50 0.865 20.867 -0.694 1.00 4.31 H new ATOM 0 HB2 GLU A 50 -0.576 18.289 0.010 1.00 21.22 H new ATOM 0 HB3 GLU A 50 -1.122 19.853 0.583 1.00 21.22 H new ATOM 0 HG2 GLU A 50 -1.016 20.506 -1.978 1.00 60.40 H new ATOM 0 HG3 GLU A 50 -1.080 18.773 -2.225 1.00 60.40 H new ATOM 771 N PHE A 51 1.805 18.810 1.707 1.00 32.33 N ATOM 772 CA PHE A 51 2.351 18.754 3.058 1.00 4.21 C ATOM 773 C PHE A 51 3.876 18.801 3.030 1.00 3.22 C ATOM 774 O PHE A 51 4.516 19.154 4.020 1.00 33.13 O ATOM 775 CB PHE A 51 1.882 17.483 3.769 1.00 1.21 C ATOM 776 CG PHE A 51 1.086 17.752 5.014 1.00 31.10 C ATOM 777 CD1 PHE A 51 -0.282 17.532 5.038 1.00 1.14 C ATOM 778 CD2 PHE A 51 1.705 18.225 6.160 1.00 62.13 C ATOM 779 CE1 PHE A 51 -1.018 17.778 6.183 1.00 44.05 C ATOM 780 CE2 PHE A 51 0.975 18.472 7.307 1.00 51.13 C ATOM 781 CZ PHE A 51 -0.388 18.250 7.318 1.00 73.32 C ATOM 0 H PHE A 51 1.758 17.908 1.234 1.00 32.33 H new ATOM 0 HA PHE A 51 1.988 19.623 3.606 1.00 4.21 H new ATOM 0 HB2 PHE A 51 1.277 16.893 3.081 1.00 1.21 H new ATOM 0 HB3 PHE A 51 2.752 16.878 4.027 1.00 1.21 H new ATOM 0 HD1 PHE A 51 -0.779 17.164 4.153 1.00 1.14 H new ATOM 0 HD2 PHE A 51 2.770 18.403 6.157 1.00 62.13 H new ATOM 0 HE1 PHE A 51 -2.083 17.601 6.190 1.00 44.05 H new ATOM 0 HE2 PHE A 51 1.470 18.838 8.194 1.00 51.13 H new ATOM 0 HZ PHE A 51 -0.960 18.445 8.213 1.00 73.32 H new ATOM 791 N GLY A 52 4.453 18.442 1.887 1.00 12.01 N ATOM 792 CA GLY A 52 5.898 18.449 1.751 1.00 54.24 C ATOM 793 C GLY A 52 6.564 17.374 2.586 1.00 42.13 C ATOM 794 O GLY A 52 7.784 17.376 2.753 1.00 62.14 O ATOM 0 H GLY A 52 3.946 18.147 1.053 1.00 12.01 H new ATOM 0 HA2 GLY A 52 6.162 18.306 0.703 1.00 54.24 H new ATOM 0 HA3 GLY A 52 6.283 19.425 2.047 1.00 54.24 H new ATOM 798 N ILE A 53 5.763 16.455 3.113 1.00 73.32 N ATOM 799 CA ILE A 53 6.283 15.370 3.936 1.00 72.35 C ATOM 800 C ILE A 53 5.545 14.065 3.656 1.00 55.13 C ATOM 801 O ILE A 53 4.742 13.981 2.727 1.00 53.32 O ATOM 802 CB ILE A 53 6.171 15.698 5.436 1.00 23.22 C ATOM 803 CG1 ILE A 53 4.705 15.696 5.873 1.00 0.23 C ATOM 804 CG2 ILE A 53 6.817 17.043 5.734 1.00 71.04 C ATOM 805 CD1 ILE A 53 4.365 14.586 6.843 1.00 11.31 C ATOM 0 H ILE A 53 4.751 16.440 2.985 1.00 73.32 H new ATOM 0 HA ILE A 53 7.335 15.253 3.676 1.00 72.35 H new ATOM 0 HB ILE A 53 6.700 14.930 6.001 1.00 23.22 H new ATOM 0 HG12 ILE A 53 4.471 16.655 6.335 1.00 0.23 H new ATOM 0 HG13 ILE A 53 4.071 15.603 4.991 1.00 0.23 H new ATOM 0 HG21 ILE A 53 6.730 17.261 6.798 1.00 71.04 H new ATOM 0 HG22 ILE A 53 7.870 17.010 5.456 1.00 71.04 H new ATOM 0 HG23 ILE A 53 6.314 17.823 5.162 1.00 71.04 H new ATOM 0 HD11 ILE A 53 3.310 14.646 7.109 1.00 11.31 H new ATOM 0 HD12 ILE A 53 4.567 13.621 6.378 1.00 11.31 H new ATOM 0 HD13 ILE A 53 4.973 14.690 7.742 1.00 11.31 H new ATOM 817 N ALA A 54 5.821 13.049 4.467 1.00 11.40 N ATOM 818 CA ALA A 54 5.180 11.750 4.309 1.00 22.35 C ATOM 819 C ALA A 54 4.943 11.087 5.662 1.00 22.12 C ATOM 820 O ALA A 54 5.734 10.252 6.102 1.00 15.01 O ATOM 821 CB ALA A 54 6.024 10.850 3.419 1.00 23.33 C ATOM 0 H ALA A 54 6.484 13.101 5.240 1.00 11.40 H new ATOM 0 HA ALA A 54 4.211 11.906 3.835 1.00 22.35 H new ATOM 0 HB1 ALA A 54 5.533 9.883 3.310 1.00 23.33 H new ATOM 0 HB2 ALA A 54 6.138 11.312 2.438 1.00 23.33 H new ATOM 0 HB3 ALA A 54 7.006 10.709 3.871 1.00 23.33 H new ATOM 827 N SER A 55 3.850 11.465 6.318 1.00 64.22 N ATOM 828 CA SER A 55 3.512 10.910 7.623 1.00 11.12 C ATOM 829 C SER A 55 2.192 11.482 8.131 1.00 73.02 C ATOM 830 O SER A 55 1.160 10.811 8.105 1.00 21.50 O ATOM 831 CB SER A 55 4.627 11.201 8.629 1.00 2.03 C ATOM 832 OG SER A 55 5.539 10.119 8.706 1.00 4.44 O ATOM 0 H SER A 55 3.184 12.153 5.967 1.00 64.22 H new ATOM 0 HA SER A 55 3.403 9.831 7.514 1.00 11.12 H new ATOM 0 HB2 SER A 55 5.157 12.108 8.337 1.00 2.03 H new ATOM 0 HB3 SER A 55 4.195 11.387 9.612 1.00 2.03 H new ATOM 0 HG SER A 55 5.659 9.729 7.815 1.00 4.44 H new ATOM 838 N VAL A 56 2.232 12.728 8.592 1.00 22.14 N ATOM 839 CA VAL A 56 1.040 13.392 9.105 1.00 1.24 C ATOM 840 C VAL A 56 0.057 13.701 7.982 1.00 34.22 C ATOM 841 O VAL A 56 -1.135 13.896 8.223 1.00 70.43 O ATOM 842 CB VAL A 56 1.397 14.701 9.835 1.00 51.25 C ATOM 843 CG1 VAL A 56 2.163 15.636 8.910 1.00 34.33 C ATOM 844 CG2 VAL A 56 0.140 15.375 10.365 1.00 23.53 C ATOM 0 H VAL A 56 3.077 13.298 8.621 1.00 22.14 H new ATOM 0 HA VAL A 56 0.575 12.705 9.812 1.00 1.24 H new ATOM 0 HB VAL A 56 2.038 14.461 10.683 1.00 51.25 H new ATOM 0 HG11 VAL A 56 2.407 16.555 9.442 1.00 34.33 H new ATOM 0 HG12 VAL A 56 3.083 15.151 8.583 1.00 34.33 H new ATOM 0 HG13 VAL A 56 1.549 15.872 8.041 1.00 34.33 H new ATOM 0 HG21 VAL A 56 0.411 16.298 10.878 1.00 23.53 H new ATOM 0 HG22 VAL A 56 -0.528 15.604 9.535 1.00 23.53 H new ATOM 0 HG23 VAL A 56 -0.364 14.707 11.063 1.00 23.53 H new ATOM 854 N ASP A 57 0.563 13.743 6.755 1.00 42.11 N ATOM 855 CA ASP A 57 -0.271 14.026 5.593 1.00 40.52 C ATOM 856 C ASP A 57 -1.319 12.936 5.397 1.00 33.44 C ATOM 857 O ASP A 57 -2.337 13.150 4.739 1.00 60.42 O ATOM 858 CB ASP A 57 0.593 14.152 4.337 1.00 73.12 C ATOM 859 CG ASP A 57 -0.234 14.189 3.067 1.00 73.43 C ATOM 860 OD1 ASP A 57 -0.932 15.200 2.841 1.00 21.15 O ATOM 861 OD2 ASP A 57 -0.183 13.206 2.297 1.00 13.45 O ATOM 0 H ASP A 57 1.547 13.585 6.539 1.00 42.11 H new ATOM 0 HA ASP A 57 -0.785 14.971 5.768 1.00 40.52 H new ATOM 0 HB2 ASP A 57 1.194 15.059 4.402 1.00 73.12 H new ATOM 0 HB3 ASP A 57 1.287 13.313 4.291 1.00 73.12 H new ATOM 866 N SER A 58 -1.063 11.765 5.973 1.00 2.43 N ATOM 867 CA SER A 58 -1.982 10.639 5.858 1.00 2.14 C ATOM 868 C SER A 58 -3.345 10.988 6.447 1.00 54.42 C ATOM 869 O SER A 58 -4.374 10.482 6.000 1.00 32.24 O ATOM 870 CB SER A 58 -1.408 9.411 6.567 1.00 64.32 C ATOM 871 OG SER A 58 -2.294 8.309 6.475 1.00 24.43 O ATOM 0 H SER A 58 -0.227 11.572 6.524 1.00 2.43 H new ATOM 0 HA SER A 58 -2.110 10.413 4.799 1.00 2.14 H new ATOM 0 HB2 SER A 58 -0.447 9.147 6.124 1.00 64.32 H new ATOM 0 HB3 SER A 58 -1.222 9.646 7.615 1.00 64.32 H new ATOM 0 HG SER A 58 -3.020 8.418 7.124 1.00 24.43 H new ATOM 877 N MET A 59 -3.344 11.858 7.452 1.00 61.02 N ATOM 878 CA MET A 59 -4.581 12.277 8.101 1.00 24.34 C ATOM 879 C MET A 59 -4.419 13.651 8.744 1.00 71.32 C ATOM 880 O MET A 59 -4.281 13.764 9.961 1.00 11.44 O ATOM 881 CB MET A 59 -4.999 11.253 9.158 1.00 23.43 C ATOM 882 CG MET A 59 -5.907 10.159 8.619 1.00 3.22 C ATOM 883 SD MET A 59 -5.081 8.559 8.515 1.00 14.43 S ATOM 884 CE MET A 59 -5.177 8.018 10.220 1.00 64.00 C ATOM 0 H MET A 59 -2.501 12.286 7.834 1.00 61.02 H new ATOM 0 HA MET A 59 -5.358 12.341 7.339 1.00 24.34 H new ATOM 0 HB2 MET A 59 -4.105 10.796 9.582 1.00 23.43 H new ATOM 0 HB3 MET A 59 -5.509 11.770 9.971 1.00 23.43 H new ATOM 0 HG2 MET A 59 -6.783 10.070 9.261 1.00 3.22 H new ATOM 0 HG3 MET A 59 -6.265 10.444 7.630 1.00 3.22 H new ATOM 0 HE1 MET A 59 -4.707 7.040 10.318 1.00 64.00 H new ATOM 0 HE2 MET A 59 -4.661 8.735 10.859 1.00 64.00 H new ATOM 0 HE3 MET A 59 -6.222 7.950 10.522 1.00 64.00 H new ATOM 894 N ALA A 60 -4.437 14.691 7.917 1.00 2.33 N ATOM 895 CA ALA A 60 -4.294 16.057 8.406 1.00 50.24 C ATOM 896 C ALA A 60 -5.073 17.036 7.533 1.00 4.24 C ATOM 897 O ALA A 60 -4.486 17.813 6.780 1.00 12.04 O ATOM 898 CB ALA A 60 -2.824 16.448 8.458 1.00 35.15 C ATOM 0 H ALA A 60 -4.549 14.614 6.906 1.00 2.33 H new ATOM 0 HA ALA A 60 -4.706 16.101 9.414 1.00 50.24 H new ATOM 0 HB1 ALA A 60 -2.732 17.470 8.825 1.00 35.15 H new ATOM 0 HB2 ALA A 60 -2.291 15.773 9.128 1.00 35.15 H new ATOM 0 HB3 ALA A 60 -2.394 16.381 7.459 1.00 35.15 H new ATOM 904 N ALA A 61 -6.397 16.993 7.640 1.00 64.31 N ATOM 905 CA ALA A 61 -7.255 17.877 6.862 1.00 50.03 C ATOM 906 C ALA A 61 -8.652 17.960 7.468 1.00 4.24 C ATOM 907 O ALA A 61 -9.102 17.036 8.146 1.00 1.05 O ATOM 908 CB ALA A 61 -7.332 17.402 5.418 1.00 30.13 C ATOM 0 H ALA A 61 -6.898 16.355 8.258 1.00 64.31 H new ATOM 0 HA ALA A 61 -6.819 18.876 6.882 1.00 50.03 H new ATOM 0 HB1 ALA A 61 -7.976 18.072 4.849 1.00 30.13 H new ATOM 0 HB2 ALA A 61 -6.333 17.401 4.982 1.00 30.13 H new ATOM 0 HB3 ALA A 61 -7.742 16.392 5.388 1.00 30.13 H new ATOM 914 N THR A 62 -9.334 19.074 7.221 1.00 1.23 N ATOM 915 CA THR A 62 -10.678 19.279 7.745 1.00 75.12 C ATOM 916 C THR A 62 -11.568 19.974 6.720 1.00 4.00 C ATOM 917 O THR A 62 -11.082 20.700 5.852 1.00 53.31 O ATOM 918 CB THR A 62 -10.656 20.114 9.039 1.00 54.11 C ATOM 919 OG1 THR A 62 -10.369 21.483 8.734 1.00 51.24 O ATOM 920 CG2 THR A 62 -9.617 19.577 10.012 1.00 53.33 C ATOM 0 H THR A 62 -8.977 19.848 6.661 1.00 1.23 H new ATOM 0 HA THR A 62 -11.085 18.292 7.966 1.00 75.12 H new ATOM 0 HB THR A 62 -11.638 20.045 9.506 1.00 54.11 H new ATOM 0 HG1 THR A 62 -10.664 22.052 9.475 1.00 51.24 H new ATOM 0 HG21 THR A 62 -9.620 20.183 10.918 1.00 53.33 H new ATOM 0 HG22 THR A 62 -9.855 18.544 10.265 1.00 53.33 H new ATOM 0 HG23 THR A 62 -8.630 19.619 9.551 1.00 53.33 H new ATOM 928 N THR A 63 -12.873 19.748 6.826 1.00 74.11 N ATOM 929 CA THR A 63 -13.831 20.352 5.908 1.00 4.20 C ATOM 930 C THR A 63 -14.279 21.722 6.404 1.00 3.12 C ATOM 931 O THR A 63 -14.098 22.060 7.574 1.00 35.24 O ATOM 932 CB THR A 63 -15.070 19.457 5.719 1.00 63.23 C ATOM 933 OG1 THR A 63 -14.764 18.110 6.098 1.00 44.30 O ATOM 934 CG2 THR A 63 -15.543 19.487 4.273 1.00 32.34 C ATOM 0 H THR A 63 -13.292 19.151 7.539 1.00 74.11 H new ATOM 0 HA THR A 63 -13.323 20.463 4.950 1.00 4.20 H new ATOM 0 HB THR A 63 -15.868 19.840 6.354 1.00 63.23 H new ATOM 0 HG1 THR A 63 -14.252 17.677 5.383 1.00 44.30 H new ATOM 0 HG21 THR A 63 -16.419 18.848 4.163 1.00 32.34 H new ATOM 0 HG22 THR A 63 -15.803 20.509 3.996 1.00 32.34 H new ATOM 0 HG23 THR A 63 -14.747 19.126 3.622 1.00 32.34 H new ATOM 942 N LYS A 64 -14.865 22.508 5.508 1.00 45.45 N ATOM 943 CA LYS A 64 -15.341 23.842 5.854 1.00 51.10 C ATOM 944 C LYS A 64 -16.461 23.768 6.887 1.00 4.55 C ATOM 945 O LYS A 64 -16.678 24.711 7.649 1.00 22.24 O ATOM 946 CB LYS A 64 -15.835 24.571 4.602 1.00 35.42 C ATOM 947 CG LYS A 64 -14.897 24.445 3.415 1.00 61.44 C ATOM 948 CD LYS A 64 -14.854 25.726 2.599 1.00 34.11 C ATOM 949 CE LYS A 64 -13.430 26.094 2.214 1.00 42.23 C ATOM 950 NZ LYS A 64 -13.383 26.878 0.949 1.00 44.44 N ATOM 0 H LYS A 64 -15.022 22.244 4.535 1.00 45.45 H new ATOM 0 HA LYS A 64 -14.508 24.397 6.285 1.00 51.10 H new ATOM 0 HB2 LYS A 64 -16.813 24.178 4.325 1.00 35.42 H new ATOM 0 HB3 LYS A 64 -15.971 25.627 4.836 1.00 35.42 H new ATOM 0 HG2 LYS A 64 -13.894 24.203 3.767 1.00 61.44 H new ATOM 0 HG3 LYS A 64 -15.220 23.619 2.781 1.00 61.44 H new ATOM 0 HD2 LYS A 64 -15.456 25.605 1.698 1.00 34.11 H new ATOM 0 HD3 LYS A 64 -15.299 26.539 3.173 1.00 34.11 H new ATOM 0 HE2 LYS A 64 -12.975 26.673 3.017 1.00 42.23 H new ATOM 0 HE3 LYS A 64 -12.838 25.186 2.101 1.00 42.23 H new ATOM 0 HZ1 LYS A 64 -12.406 27.182 0.765 1.00 44.44 H new ATOM 0 HZ2 LYS A 64 -13.716 26.286 0.161 1.00 44.44 H new ATOM 0 HZ3 LYS A 64 -13.995 27.714 1.036 1.00 44.44 H new ATOM 964 N ASP A 65 -17.167 22.643 6.909 1.00 43.52 N ATOM 965 CA ASP A 65 -18.262 22.446 7.851 1.00 52.11 C ATOM 966 C ASP A 65 -17.730 22.141 9.247 1.00 25.44 C ATOM 967 O ASP A 65 -18.421 22.344 10.245 1.00 62.44 O ATOM 968 CB ASP A 65 -19.171 21.310 7.378 1.00 10.24 C ATOM 969 CG ASP A 65 -20.638 21.691 7.411 1.00 31.24 C ATOM 970 OD1 ASP A 65 -21.220 21.716 8.516 1.00 12.23 O ATOM 971 OD2 ASP A 65 -21.204 21.964 6.333 1.00 51.14 O ATOM 0 H ASP A 65 -17.000 21.854 6.285 1.00 43.52 H new ATOM 0 HA ASP A 65 -18.840 23.369 7.896 1.00 52.11 H new ATOM 0 HB2 ASP A 65 -18.895 21.027 6.362 1.00 10.24 H new ATOM 0 HB3 ASP A 65 -19.012 20.435 8.008 1.00 10.24 H new ATOM 976 N GLY A 66 -16.495 21.650 9.310 1.00 13.05 N ATOM 977 CA GLY A 66 -15.891 21.323 10.589 1.00 54.21 C ATOM 978 C GLY A 66 -14.947 20.141 10.499 1.00 74.32 C ATOM 979 O GLY A 66 -13.894 20.224 9.867 1.00 63.44 O ATOM 0 H GLY A 66 -15.903 21.473 8.499 1.00 13.05 H new ATOM 0 HA2 GLY A 66 -15.347 22.191 10.963 1.00 54.21 H new ATOM 0 HA3 GLY A 66 -16.676 21.103 11.312 1.00 54.21 H new ATOM 983 N THR A 67 -15.324 19.035 11.134 1.00 5.14 N ATOM 984 CA THR A 67 -14.502 17.832 11.126 1.00 62.51 C ATOM 985 C THR A 67 -14.447 17.213 9.734 1.00 75.32 C ATOM 986 O THR A 67 -15.478 17.007 9.094 1.00 13.35 O ATOM 987 CB THR A 67 -15.032 16.782 12.121 1.00 0.33 C ATOM 988 OG1 THR A 67 -16.241 17.251 12.729 1.00 21.32 O ATOM 989 CG2 THR A 67 -13.998 16.487 13.198 1.00 75.13 C ATOM 0 H THR A 67 -16.194 18.948 11.660 1.00 5.14 H new ATOM 0 HA THR A 67 -13.499 18.133 11.427 1.00 62.51 H new ATOM 0 HB THR A 67 -15.234 15.862 11.572 1.00 0.33 H new ATOM 0 HG1 THR A 67 -16.573 16.578 13.359 1.00 21.32 H new ATOM 0 HG21 THR A 67 -14.394 15.743 13.889 1.00 75.13 H new ATOM 0 HG22 THR A 67 -13.089 16.104 12.734 1.00 75.13 H new ATOM 0 HG23 THR A 67 -13.769 17.403 13.743 1.00 75.13 H new ATOM 997 N GLY A 68 -13.237 16.917 9.269 1.00 32.34 N ATOM 998 CA GLY A 68 -13.072 16.323 7.955 1.00 5.44 C ATOM 999 C GLY A 68 -12.071 15.185 7.955 1.00 31.34 C ATOM 1000 O GLY A 68 -10.948 15.337 7.474 1.00 22.32 O ATOM 0 H GLY A 68 -12.368 17.078 9.779 1.00 32.34 H new ATOM 0 HA2 GLY A 68 -14.036 15.955 7.602 1.00 5.44 H new ATOM 0 HA3 GLY A 68 -12.746 17.089 7.252 1.00 5.44 H new ATOM 1004 N ILE A 69 -12.478 14.042 8.497 1.00 21.24 N ATOM 1005 CA ILE A 69 -11.608 12.874 8.558 1.00 33.44 C ATOM 1006 C ILE A 69 -11.607 12.119 7.233 1.00 52.40 C ATOM 1007 O ILE A 69 -12.663 11.786 6.696 1.00 24.44 O ATOM 1008 CB ILE A 69 -12.035 11.912 9.683 1.00 74.10 C ATOM 1009 CG1 ILE A 69 -11.073 10.725 9.762 1.00 41.22 C ATOM 1010 CG2 ILE A 69 -13.461 11.431 9.456 1.00 64.34 C ATOM 1011 CD1 ILE A 69 -9.633 11.129 9.988 1.00 42.12 C ATOM 0 H ILE A 69 -13.404 13.900 8.900 1.00 21.24 H new ATOM 0 HA ILE A 69 -10.603 13.240 8.766 1.00 33.44 H new ATOM 0 HB ILE A 69 -11.999 12.448 10.632 1.00 74.10 H new ATOM 0 HG12 ILE A 69 -11.388 10.065 10.571 1.00 41.22 H new ATOM 0 HG13 ILE A 69 -11.140 10.151 8.838 1.00 41.22 H new ATOM 0 HG21 ILE A 69 -13.748 10.752 10.259 1.00 64.34 H new ATOM 0 HG22 ILE A 69 -14.136 12.287 9.445 1.00 64.34 H new ATOM 0 HG23 ILE A 69 -13.521 10.909 8.501 1.00 64.34 H new ATOM 0 HD11 ILE A 69 -9.008 10.237 10.033 1.00 42.12 H new ATOM 0 HD12 ILE A 69 -9.300 11.764 9.167 1.00 42.12 H new ATOM 0 HD13 ILE A 69 -9.552 11.677 10.927 1.00 42.12 H new ATOM 1023 N ASN A 70 -10.414 11.853 6.711 1.00 32.22 N ATOM 1024 CA ASN A 70 -10.275 11.136 5.449 1.00 51.34 C ATOM 1025 C ASN A 70 -9.719 9.734 5.677 1.00 3.22 C ATOM 1026 O ASN A 70 -8.523 9.481 5.526 1.00 53.44 O ATOM 1027 CB ASN A 70 -9.361 11.911 4.497 1.00 74.23 C ATOM 1028 CG ASN A 70 -8.077 12.361 5.166 1.00 15.34 C ATOM 1029 OD1 ASN A 70 -7.092 11.624 5.205 1.00 74.13 O ATOM 1030 ND2 ASN A 70 -8.083 13.578 5.699 1.00 74.13 N ATOM 0 H ASN A 70 -9.530 12.123 7.142 1.00 32.22 H new ATOM 0 HA ASN A 70 -11.264 11.046 5.000 1.00 51.34 H new ATOM 0 HB2 ASN A 70 -9.120 11.284 3.639 1.00 74.23 H new ATOM 0 HB3 ASN A 70 -9.893 12.782 4.116 1.00 74.23 H new ATOM 0 HD21 ASN A 70 -7.248 13.935 6.164 1.00 74.13 H new ATOM 0 HD22 ASN A 70 -8.922 14.155 5.643 1.00 74.13 H new ATOM 1037 N PRO A 71 -10.605 8.799 6.050 1.00 12.44 N ATOM 1038 CA PRO A 71 -10.226 7.407 6.307 1.00 73.33 C ATOM 1039 C PRO A 71 -9.837 6.668 5.031 1.00 25.31 C ATOM 1040 O PRO A 71 -8.792 6.019 4.973 1.00 52.53 O ATOM 1041 CB PRO A 71 -11.495 6.799 6.910 1.00 12.21 C ATOM 1042 CG PRO A 71 -12.606 7.641 6.383 1.00 62.33 C ATOM 1043 CD PRO A 71 -12.046 9.030 6.250 1.00 22.13 C ATOM 0 HA PRO A 71 -9.353 7.335 6.955 1.00 73.33 H new ATOM 0 HB2 PRO A 71 -11.614 5.757 6.614 1.00 12.21 H new ATOM 0 HB3 PRO A 71 -11.465 6.820 7.999 1.00 12.21 H new ATOM 0 HG2 PRO A 71 -12.956 7.268 5.421 1.00 62.33 H new ATOM 0 HG3 PRO A 71 -13.460 7.628 7.060 1.00 62.33 H new ATOM 0 HD2 PRO A 71 -12.488 9.563 5.408 1.00 22.13 H new ATOM 0 HD3 PRO A 71 -12.237 9.628 7.141 1.00 22.13 H new ATOM 1051 N ALA A 72 -10.682 6.770 4.011 1.00 15.53 N ATOM 1052 CA ALA A 72 -10.425 6.114 2.736 1.00 64.22 C ATOM 1053 C ALA A 72 -9.866 7.099 1.714 1.00 33.22 C ATOM 1054 O ALA A 72 -9.126 6.715 0.809 1.00 21.44 O ATOM 1055 CB ALA A 72 -11.697 5.468 2.208 1.00 21.51 C ATOM 0 H ALA A 72 -11.552 7.302 4.043 1.00 15.53 H new ATOM 0 HA ALA A 72 -9.678 5.338 2.900 1.00 64.22 H new ATOM 0 HB1 ALA A 72 -11.490 4.982 1.255 1.00 21.51 H new ATOM 0 HB2 ALA A 72 -12.053 4.727 2.924 1.00 21.51 H new ATOM 0 HB3 ALA A 72 -12.461 6.232 2.067 1.00 21.51 H new ATOM 1061 N GLN A 73 -10.227 8.369 1.865 1.00 11.04 N ATOM 1062 CA GLN A 73 -9.762 9.408 0.954 1.00 15.11 C ATOM 1063 C GLN A 73 -10.056 9.033 -0.495 1.00 22.43 C ATOM 1064 O GLN A 73 -9.359 9.465 -1.413 1.00 43.13 O ATOM 1065 CB GLN A 73 -8.262 9.644 1.138 1.00 15.45 C ATOM 1066 CG GLN A 73 -7.753 9.269 2.521 1.00 41.42 C ATOM 1067 CD GLN A 73 -6.543 10.082 2.937 1.00 65.22 C ATOM 1068 OE1 GLN A 73 -6.449 11.274 2.642 1.00 60.55 O ATOM 1069 NE2 GLN A 73 -5.607 9.440 3.627 1.00 71.21 N ATOM 0 H GLN A 73 -10.840 8.703 2.609 1.00 11.04 H new ATOM 0 HA GLN A 73 -10.298 10.328 1.188 1.00 15.11 H new ATOM 0 HB2 GLN A 73 -7.717 9.067 0.391 1.00 15.45 H new ATOM 0 HB3 GLN A 73 -8.042 10.695 0.952 1.00 15.45 H new ATOM 0 HG2 GLN A 73 -8.551 9.413 3.249 1.00 41.42 H new ATOM 0 HG3 GLN A 73 -7.497 8.210 2.535 1.00 41.42 H new ATOM 0 HE21 GLN A 73 -5.725 8.452 3.850 1.00 71.21 H new ATOM 0 HE22 GLN A 73 -4.770 9.935 3.934 1.00 71.21 H new ATOM 1078 N THR A 74 -11.092 8.224 -0.693 1.00 72.02 N ATOM 1079 CA THR A 74 -11.477 7.789 -2.030 1.00 20.32 C ATOM 1080 C THR A 74 -12.257 8.877 -2.759 1.00 61.41 C ATOM 1081 O THR A 74 -12.781 9.800 -2.138 1.00 2.54 O ATOM 1082 CB THR A 74 -12.330 6.507 -1.979 1.00 53.34 C ATOM 1083 OG1 THR A 74 -12.086 5.804 -0.756 1.00 72.12 O ATOM 1084 CG2 THR A 74 -12.018 5.602 -3.162 1.00 11.43 C ATOM 0 H THR A 74 -11.680 7.857 0.056 1.00 72.02 H new ATOM 0 HA THR A 74 -10.555 7.582 -2.573 1.00 20.32 H new ATOM 0 HB THR A 74 -13.380 6.794 -2.029 1.00 53.34 H new ATOM 0 HG1 THR A 74 -12.938 5.622 -0.308 1.00 72.12 H new ATOM 0 HG21 THR A 74 -12.632 4.703 -3.105 1.00 11.43 H new ATOM 0 HG22 THR A 74 -12.234 6.130 -4.091 1.00 11.43 H new ATOM 0 HG23 THR A 74 -10.964 5.323 -3.139 1.00 11.43 H new ATOM 1092 N ALA A 75 -12.331 8.760 -4.081 1.00 4.30 N ATOM 1093 CA ALA A 75 -13.049 9.733 -4.894 1.00 74.05 C ATOM 1094 C ALA A 75 -14.532 9.757 -4.539 1.00 51.12 C ATOM 1095 O ALA A 75 -15.115 10.822 -4.336 1.00 63.45 O ATOM 1096 CB ALA A 75 -12.864 9.424 -6.373 1.00 1.52 C ATOM 0 H ALA A 75 -11.903 8.001 -4.611 1.00 4.30 H new ATOM 0 HA ALA A 75 -12.636 10.720 -4.685 1.00 74.05 H new ATOM 0 HB1 ALA A 75 -13.406 10.159 -6.969 1.00 1.52 H new ATOM 0 HB2 ALA A 75 -11.804 9.464 -6.623 1.00 1.52 H new ATOM 0 HB3 ALA A 75 -13.250 8.427 -6.588 1.00 1.52 H new ATOM 1102 N GLY A 76 -15.138 8.576 -4.466 1.00 21.30 N ATOM 1103 CA GLY A 76 -16.548 8.484 -4.136 1.00 12.41 C ATOM 1104 C GLY A 76 -16.841 8.923 -2.715 1.00 25.14 C ATOM 1105 O GLY A 76 -17.861 9.557 -2.451 1.00 75.53 O ATOM 0 H GLY A 76 -14.677 7.681 -4.630 1.00 21.30 H new ATOM 0 HA2 GLY A 76 -17.121 9.100 -4.829 1.00 12.41 H new ATOM 0 HA3 GLY A 76 -16.883 7.456 -4.272 1.00 12.41 H new ATOM 1109 N ASN A 77 -15.942 8.583 -1.796 1.00 14.34 N ATOM 1110 CA ASN A 77 -16.110 8.944 -0.393 1.00 14.33 C ATOM 1111 C ASN A 77 -15.891 10.440 -0.186 1.00 23.23 C ATOM 1112 O ASN A 77 -16.793 11.157 0.248 1.00 24.32 O ATOM 1113 CB ASN A 77 -15.138 8.149 0.480 1.00 24.12 C ATOM 1114 CG ASN A 77 -15.407 6.657 0.435 1.00 13.31 C ATOM 1115 OD1 ASN A 77 -15.129 5.995 -0.565 1.00 21.14 O ATOM 1116 ND2 ASN A 77 -15.953 6.122 1.521 1.00 25.30 N ATOM 0 H ASN A 77 -15.091 8.059 -1.998 1.00 14.34 H new ATOM 0 HA ASN A 77 -17.132 8.701 -0.101 1.00 14.33 H new ATOM 0 HB2 ASN A 77 -14.117 8.341 0.150 1.00 24.12 H new ATOM 0 HB3 ASN A 77 -15.211 8.498 1.510 1.00 24.12 H new ATOM 0 HD21 ASN A 77 -16.159 5.123 1.549 1.00 25.30 H new ATOM 0 HD22 ASN A 77 -16.166 6.710 2.327 1.00 25.30 H new ATOM 1123 N VAL A 78 -14.685 10.904 -0.500 1.00 15.41 N ATOM 1124 CA VAL A 78 -14.347 12.315 -0.350 1.00 61.34 C ATOM 1125 C VAL A 78 -15.380 13.203 -1.033 1.00 54.34 C ATOM 1126 O VAL A 78 -15.741 14.262 -0.519 1.00 52.34 O ATOM 1127 CB VAL A 78 -12.955 12.623 -0.934 1.00 72.30 C ATOM 1128 CG1 VAL A 78 -12.646 14.108 -0.822 1.00 61.22 C ATOM 1129 CG2 VAL A 78 -11.889 11.793 -0.234 1.00 51.51 C ATOM 0 H VAL A 78 -13.927 10.324 -0.859 1.00 15.41 H new ATOM 0 HA VAL A 78 -14.340 12.527 0.719 1.00 61.34 H new ATOM 0 HB VAL A 78 -12.955 12.356 -1.991 1.00 72.30 H new ATOM 0 HG11 VAL A 78 -11.659 14.307 -1.239 1.00 61.22 H new ATOM 0 HG12 VAL A 78 -13.394 14.678 -1.373 1.00 61.22 H new ATOM 0 HG13 VAL A 78 -12.663 14.405 0.227 1.00 61.22 H new ATOM 0 HG21 VAL A 78 -10.912 12.023 -0.659 1.00 51.51 H new ATOM 0 HG22 VAL A 78 -11.886 12.027 0.831 1.00 51.51 H new ATOM 0 HG23 VAL A 78 -12.104 10.733 -0.372 1.00 51.51 H new ATOM 1139 N PHE A 79 -15.854 12.765 -2.195 1.00 51.21 N ATOM 1140 CA PHE A 79 -16.847 13.521 -2.950 1.00 3.10 C ATOM 1141 C PHE A 79 -18.072 13.820 -2.091 1.00 21.42 C ATOM 1142 O PHE A 79 -18.710 14.861 -2.241 1.00 45.31 O ATOM 1143 CB PHE A 79 -17.264 12.747 -4.202 1.00 53.11 C ATOM 1144 CG PHE A 79 -18.399 13.386 -4.951 1.00 61.30 C ATOM 1145 CD1 PHE A 79 -18.198 14.544 -5.684 1.00 64.12 C ATOM 1146 CD2 PHE A 79 -19.667 12.828 -4.921 1.00 61.23 C ATOM 1147 CE1 PHE A 79 -19.239 15.134 -6.375 1.00 35.12 C ATOM 1148 CE2 PHE A 79 -20.712 13.413 -5.610 1.00 54.02 C ATOM 1149 CZ PHE A 79 -20.499 14.568 -6.337 1.00 2.12 C ATOM 0 H PHE A 79 -15.567 11.890 -2.634 1.00 51.21 H new ATOM 0 HA PHE A 79 -16.396 14.467 -3.250 1.00 3.10 H new ATOM 0 HB2 PHE A 79 -16.405 12.657 -4.867 1.00 53.11 H new ATOM 0 HB3 PHE A 79 -17.552 11.736 -3.915 1.00 53.11 H new ATOM 0 HD1 PHE A 79 -17.215 14.991 -5.716 1.00 64.12 H new ATOM 0 HD2 PHE A 79 -19.840 11.926 -4.353 1.00 61.23 H new ATOM 0 HE1 PHE A 79 -19.068 16.036 -6.944 1.00 35.12 H new ATOM 0 HE2 PHE A 79 -21.695 12.967 -5.580 1.00 54.02 H new ATOM 0 HZ PHE A 79 -21.315 15.028 -6.874 1.00 2.12 H new ATOM 1159 N MET A 80 -18.395 12.897 -1.190 1.00 64.03 N ATOM 1160 CA MET A 80 -19.543 13.061 -0.306 1.00 42.13 C ATOM 1161 C MET A 80 -19.114 13.633 1.041 1.00 11.12 C ATOM 1162 O MET A 80 -19.905 14.269 1.738 1.00 54.35 O ATOM 1163 CB MET A 80 -20.252 11.721 -0.102 1.00 52.13 C ATOM 1164 CG MET A 80 -21.654 11.680 -0.688 1.00 52.23 C ATOM 1165 SD MET A 80 -22.176 10.010 -1.125 1.00 12.43 S ATOM 1166 CE MET A 80 -23.914 10.076 -0.695 1.00 23.44 C ATOM 0 H MET A 80 -17.878 12.028 -1.053 1.00 64.03 H new ATOM 0 HA MET A 80 -20.234 13.762 -0.775 1.00 42.13 H new ATOM 0 HB2 MET A 80 -19.654 10.930 -0.555 1.00 52.13 H new ATOM 0 HB3 MET A 80 -20.307 11.507 0.965 1.00 52.13 H new ATOM 0 HG2 MET A 80 -22.357 12.099 0.032 1.00 52.23 H new ATOM 0 HG3 MET A 80 -21.691 12.312 -1.575 1.00 52.23 H new ATOM 0 HE1 MET A 80 -24.378 9.113 -0.909 1.00 23.44 H new ATOM 0 HE2 MET A 80 -24.018 10.302 0.366 1.00 23.44 H new ATOM 0 HE3 MET A 80 -24.404 10.853 -1.281 1.00 23.44 H new ATOM 1176 N LYS A 81 -17.857 13.402 1.404 1.00 42.42 N ATOM 1177 CA LYS A 81 -17.322 13.895 2.667 1.00 3.14 C ATOM 1178 C LYS A 81 -17.090 15.402 2.610 1.00 73.32 C ATOM 1179 O LYS A 81 -17.627 16.153 3.424 1.00 4.43 O ATOM 1180 CB LYS A 81 -16.011 13.180 3.004 1.00 72.34 C ATOM 1181 CG LYS A 81 -16.154 11.672 3.119 1.00 23.02 C ATOM 1182 CD LYS A 81 -16.374 11.241 4.560 1.00 42.43 C ATOM 1183 CE LYS A 81 -15.055 10.983 5.272 1.00 61.43 C ATOM 1184 NZ LYS A 81 -15.124 9.780 6.147 1.00 63.54 N ATOM 0 H LYS A 81 -17.189 12.876 0.840 1.00 42.42 H new ATOM 0 HA LYS A 81 -18.054 13.687 3.447 1.00 3.14 H new ATOM 0 HB2 LYS A 81 -15.274 13.409 2.235 1.00 72.34 H new ATOM 0 HB3 LYS A 81 -15.624 13.573 3.944 1.00 72.34 H new ATOM 0 HG2 LYS A 81 -16.991 11.337 2.506 1.00 23.02 H new ATOM 0 HG3 LYS A 81 -15.259 11.190 2.727 1.00 23.02 H new ATOM 0 HD2 LYS A 81 -16.930 12.013 5.091 1.00 42.43 H new ATOM 0 HD3 LYS A 81 -16.983 10.337 4.582 1.00 42.43 H new ATOM 0 HE2 LYS A 81 -14.264 10.851 4.534 1.00 61.43 H new ATOM 0 HE3 LYS A 81 -14.789 11.854 5.872 1.00 61.43 H new ATOM 0 HZ1 LYS A 81 -14.478 9.900 6.953 1.00 63.54 H new ATOM 0 HZ2 LYS A 81 -16.096 9.660 6.497 1.00 63.54 H new ATOM 0 HZ3 LYS A 81 -14.846 8.939 5.603 1.00 63.54 H new ATOM 1198 N TYR A 82 -16.291 15.836 1.642 1.00 5.24 N ATOM 1199 CA TYR A 82 -15.988 17.253 1.479 1.00 1.15 C ATOM 1200 C TYR A 82 -16.514 17.773 0.145 1.00 63.42 C ATOM 1201 O TYR A 82 -16.824 18.955 0.004 1.00 22.33 O ATOM 1202 CB TYR A 82 -14.479 17.488 1.572 1.00 33.12 C ATOM 1203 CG TYR A 82 -13.776 16.542 2.520 1.00 54.15 C ATOM 1204 CD1 TYR A 82 -12.662 15.819 2.111 1.00 51.40 C ATOM 1205 CD2 TYR A 82 -14.227 16.370 3.823 1.00 42.35 C ATOM 1206 CE1 TYR A 82 -12.017 14.954 2.973 1.00 61.53 C ATOM 1207 CE2 TYR A 82 -13.587 15.508 4.692 1.00 71.25 C ATOM 1208 CZ TYR A 82 -12.483 14.802 4.262 1.00 61.40 C ATOM 1209 OH TYR A 82 -11.844 13.940 5.124 1.00 3.42 O ATOM 0 H TYR A 82 -15.841 15.227 0.958 1.00 5.24 H new ATOM 0 HA TYR A 82 -16.484 17.799 2.282 1.00 1.15 H new ATOM 0 HB2 TYR A 82 -14.042 17.385 0.579 1.00 33.12 H new ATOM 0 HB3 TYR A 82 -14.299 18.513 1.895 1.00 33.12 H new ATOM 0 HD1 TYR A 82 -12.294 15.935 1.102 1.00 51.40 H new ATOM 0 HD2 TYR A 82 -15.093 16.920 4.162 1.00 42.35 H new ATOM 0 HE1 TYR A 82 -11.152 14.400 2.639 1.00 61.53 H new ATOM 0 HE2 TYR A 82 -13.949 15.388 5.702 1.00 71.25 H new ATOM 0 HH TYR A 82 -11.045 14.375 5.489 1.00 3.42 H new ATOM 1219 N GLY A 83 -16.612 16.878 -0.834 1.00 22.20 N ATOM 1220 CA GLY A 83 -17.101 17.263 -2.145 1.00 4.11 C ATOM 1221 C GLY A 83 -16.367 18.464 -2.707 1.00 41.43 C ATOM 1222 O GLY A 83 -16.926 19.558 -2.789 1.00 23.21 O ATOM 0 H GLY A 83 -16.361 15.894 -0.742 1.00 22.20 H new ATOM 0 HA2 GLY A 83 -16.994 16.422 -2.831 1.00 4.11 H new ATOM 0 HA3 GLY A 83 -18.165 17.489 -2.081 1.00 4.11 H new ATOM 1226 N GLN A 84 -15.112 18.261 -3.094 1.00 43.33 N ATOM 1227 CA GLN A 84 -14.300 19.338 -3.649 1.00 54.24 C ATOM 1228 C GLN A 84 -14.318 20.559 -2.736 1.00 3.31 C ATOM 1229 O GLN A 84 -14.710 21.650 -3.150 1.00 30.42 O ATOM 1230 CB GLN A 84 -14.806 19.721 -5.041 1.00 72.34 C ATOM 1231 CG GLN A 84 -14.901 18.544 -5.999 1.00 33.21 C ATOM 1232 CD GLN A 84 -15.768 18.842 -7.207 1.00 3.55 C ATOM 1233 OE1 GLN A 84 -16.193 19.979 -7.414 1.00 43.32 O ATOM 1234 NE2 GLN A 84 -16.034 17.821 -8.011 1.00 73.45 N ATOM 0 H GLN A 84 -14.635 17.361 -3.034 1.00 43.33 H new ATOM 0 HA GLN A 84 -13.273 18.981 -3.728 1.00 54.24 H new ATOM 0 HB2 GLN A 84 -15.789 20.182 -4.947 1.00 72.34 H new ATOM 0 HB3 GLN A 84 -14.141 20.472 -5.466 1.00 72.34 H new ATOM 0 HG2 GLN A 84 -13.900 18.271 -6.334 1.00 33.21 H new ATOM 0 HG3 GLN A 84 -15.306 17.682 -5.470 1.00 33.21 H new ATOM 0 HE21 GLN A 84 -15.661 16.895 -7.801 1.00 73.45 H new ATOM 0 HE22 GLN A 84 -16.612 17.962 -8.840 1.00 73.45 H new ATOM 1243 N GLU A 85 -13.890 20.368 -1.492 1.00 31.32 N ATOM 1244 CA GLU A 85 -13.858 21.454 -0.520 1.00 12.22 C ATOM 1245 C GLU A 85 -13.225 20.994 0.790 1.00 34.13 C ATOM 1246 O GLU A 85 -13.921 20.754 1.777 1.00 15.43 O ATOM 1247 CB GLU A 85 -15.272 21.977 -0.260 1.00 14.23 C ATOM 1248 CG GLU A 85 -15.311 23.427 0.193 1.00 15.04 C ATOM 1249 CD GLU A 85 -15.480 24.395 -0.962 1.00 20.14 C ATOM 1250 OE1 GLU A 85 -14.454 24.874 -1.488 1.00 64.30 O ATOM 1251 OE2 GLU A 85 -16.637 24.674 -1.339 1.00 31.22 O ATOM 0 H GLU A 85 -13.561 19.471 -1.134 1.00 31.32 H new ATOM 0 HA GLU A 85 -13.251 22.259 -0.933 1.00 12.22 H new ATOM 0 HB2 GLU A 85 -15.862 21.874 -1.171 1.00 14.23 H new ATOM 0 HB3 GLU A 85 -15.746 21.355 0.499 1.00 14.23 H new ATOM 0 HG2 GLU A 85 -16.131 23.562 0.898 1.00 15.04 H new ATOM 0 HG3 GLU A 85 -14.390 23.662 0.727 1.00 15.04 H new ATOM 1258 N ILE A 86 -11.902 20.872 0.791 1.00 53.24 N ATOM 1259 CA ILE A 86 -11.176 20.441 1.978 1.00 4.44 C ATOM 1260 C ILE A 86 -9.894 21.248 2.161 1.00 32.45 C ATOM 1261 O ILE A 86 -9.234 21.612 1.189 1.00 65.35 O ATOM 1262 CB ILE A 86 -10.821 18.944 1.909 1.00 13.24 C ATOM 1263 CG1 ILE A 86 -10.026 18.528 3.149 1.00 53.22 C ATOM 1264 CG2 ILE A 86 -10.034 18.644 0.643 1.00 43.12 C ATOM 1265 CD1 ILE A 86 -9.634 17.067 3.153 1.00 15.21 C ATOM 0 H ILE A 86 -11.311 21.066 -0.018 1.00 53.24 H new ATOM 0 HA ILE A 86 -11.835 20.611 2.830 1.00 4.44 H new ATOM 0 HB ILE A 86 -11.746 18.367 1.883 1.00 13.24 H new ATOM 0 HG12 ILE A 86 -9.125 19.138 3.214 1.00 53.22 H new ATOM 0 HG13 ILE A 86 -10.619 18.739 4.039 1.00 53.22 H new ATOM 0 HG21 ILE A 86 -9.791 17.582 0.609 1.00 43.12 H new ATOM 0 HG22 ILE A 86 -10.633 18.907 -0.229 1.00 43.12 H new ATOM 0 HG23 ILE A 86 -9.113 19.227 0.640 1.00 43.12 H new ATOM 0 HD11 ILE A 86 -9.074 16.843 4.061 1.00 15.21 H new ATOM 0 HD12 ILE A 86 -10.531 16.449 3.119 1.00 15.21 H new ATOM 0 HD13 ILE A 86 -9.014 16.854 2.282 1.00 15.21 H new ATOM 1277 N ARG A 87 -9.548 21.522 3.415 1.00 60.50 N ATOM 1278 CA ARG A 87 -8.345 22.284 3.726 1.00 0.11 C ATOM 1279 C ARG A 87 -7.316 21.410 4.438 1.00 15.44 C ATOM 1280 O ARG A 87 -7.672 20.513 5.203 1.00 22.41 O ATOM 1281 CB ARG A 87 -8.693 23.493 4.596 1.00 3.41 C ATOM 1282 CG ARG A 87 -8.323 24.825 3.964 1.00 40.13 C ATOM 1283 CD ARG A 87 -7.018 25.366 4.526 1.00 25.51 C ATOM 1284 NE ARG A 87 -7.177 25.879 5.884 1.00 74.20 N ATOM 1285 CZ ARG A 87 -6.242 26.574 6.522 1.00 70.32 C ATOM 1286 NH1 ARG A 87 -5.086 26.837 5.928 1.00 54.24 N ATOM 1287 NH2 ARG A 87 -6.462 27.007 7.757 1.00 50.05 N ATOM 0 H ARG A 87 -10.084 21.228 4.231 1.00 60.50 H new ATOM 0 HA ARG A 87 -7.913 22.632 2.788 1.00 0.11 H new ATOM 0 HB2 ARG A 87 -9.763 23.484 4.804 1.00 3.41 H new ATOM 0 HB3 ARG A 87 -8.181 23.400 5.554 1.00 3.41 H new ATOM 0 HG2 ARG A 87 -8.233 24.704 2.885 1.00 40.13 H new ATOM 0 HG3 ARG A 87 -9.122 25.546 4.138 1.00 40.13 H new ATOM 0 HD2 ARG A 87 -6.267 24.576 4.523 1.00 25.51 H new ATOM 0 HD3 ARG A 87 -6.647 26.161 3.879 1.00 25.51 H new ATOM 0 HE ARG A 87 -8.055 25.693 6.369 1.00 74.20 H new ATOM 0 HH11 ARG A 87 -4.913 26.505 4.979 1.00 54.24 H new ATOM 0 HH12 ARG A 87 -4.370 27.371 6.420 1.00 54.24 H new ATOM 0 HH21 ARG A 87 -7.350 26.806 8.217 1.00 50.05 H new ATOM 0 HH22 ARG A 87 -5.743 27.541 8.246 1.00 50.05 H new ATOM 1301 N LEU A 88 -6.041 21.679 4.182 1.00 70.11 N ATOM 1302 CA LEU A 88 -4.960 20.917 4.798 1.00 10.20 C ATOM 1303 C LEU A 88 -4.549 21.535 6.131 1.00 53.13 C ATOM 1304 O LEU A 88 -4.035 22.653 6.175 1.00 22.03 O ATOM 1305 CB LEU A 88 -3.754 20.854 3.859 1.00 53.42 C ATOM 1306 CG LEU A 88 -2.754 19.729 4.125 1.00 70.11 C ATOM 1307 CD1 LEU A 88 -3.373 18.378 3.804 1.00 73.51 C ATOM 1308 CD2 LEU A 88 -1.484 19.942 3.315 1.00 63.44 C ATOM 0 H LEU A 88 -5.730 22.419 3.552 1.00 70.11 H new ATOM 0 HA LEU A 88 -5.322 19.906 4.983 1.00 10.20 H new ATOM 0 HB2 LEU A 88 -4.120 20.754 2.837 1.00 53.42 H new ATOM 0 HB3 LEU A 88 -3.224 21.805 3.916 1.00 53.42 H new ATOM 0 HG LEU A 88 -2.493 19.744 5.183 1.00 70.11 H new ATOM 0 HD11 LEU A 88 -2.646 17.589 3.999 1.00 73.51 H new ATOM 0 HD12 LEU A 88 -4.253 18.223 4.428 1.00 73.51 H new ATOM 0 HD13 LEU A 88 -3.664 18.351 2.754 1.00 73.51 H new ATOM 0 HD21 LEU A 88 -0.783 19.132 3.517 1.00 63.44 H new ATOM 0 HD22 LEU A 88 -1.728 19.955 2.253 1.00 63.44 H new ATOM 0 HD23 LEU A 88 -1.029 20.893 3.594 1.00 63.44 H new ATOM 1320 N ILE A 89 -4.778 20.800 7.213 1.00 31.34 N ATOM 1321 CA ILE A 89 -4.429 21.274 8.547 1.00 43.45 C ATOM 1322 C ILE A 89 -3.610 20.234 9.303 1.00 32.05 C ATOM 1323 O ILE A 89 -3.945 19.050 9.338 1.00 30.33 O ATOM 1324 CB ILE A 89 -5.685 21.620 9.368 1.00 4.21 C ATOM 1325 CG1 ILE A 89 -6.537 22.653 8.627 1.00 21.44 C ATOM 1326 CG2 ILE A 89 -5.292 22.138 10.744 1.00 43.25 C ATOM 1327 CD1 ILE A 89 -7.856 22.947 9.307 1.00 2.02 C ATOM 0 H ILE A 89 -5.204 19.873 7.193 1.00 31.34 H new ATOM 0 HA ILE A 89 -3.832 22.176 8.415 1.00 43.45 H new ATOM 0 HB ILE A 89 -6.277 20.714 9.498 1.00 4.21 H new ATOM 0 HG12 ILE A 89 -5.971 23.580 8.534 1.00 21.44 H new ATOM 0 HG13 ILE A 89 -6.730 22.295 7.616 1.00 21.44 H new ATOM 0 HG21 ILE A 89 -6.190 22.378 11.313 1.00 43.25 H new ATOM 0 HG22 ILE A 89 -4.722 21.373 11.272 1.00 43.25 H new ATOM 0 HG23 ILE A 89 -4.681 23.034 10.635 1.00 43.25 H new ATOM 0 HD11 ILE A 89 -8.407 23.687 8.727 1.00 2.02 H new ATOM 0 HD12 ILE A 89 -8.442 22.030 9.376 1.00 2.02 H new ATOM 0 HD13 ILE A 89 -7.670 23.335 10.308 1.00 2.02 H new ATOM 1339 N PRO A 90 -2.511 20.685 9.927 1.00 73.33 N ATOM 1340 CA PRO A 90 -1.623 19.809 10.697 1.00 11.43 C ATOM 1341 C PRO A 90 -2.271 19.316 11.986 1.00 20.14 C ATOM 1342 O PRO A 90 -2.127 19.935 13.041 1.00 71.31 O ATOM 1343 CB PRO A 90 -0.424 20.708 11.011 1.00 14.12 C ATOM 1344 CG PRO A 90 -0.969 22.094 10.972 1.00 54.04 C ATOM 1345 CD PRO A 90 -2.052 22.084 9.928 1.00 63.33 C ATOM 0 HA PRO A 90 -1.363 18.905 10.146 1.00 11.43 H new ATOM 0 HB2 PRO A 90 -0.001 20.476 11.988 1.00 14.12 H new ATOM 0 HB3 PRO A 90 0.373 20.575 10.279 1.00 14.12 H new ATOM 0 HG2 PRO A 90 -1.367 22.384 11.944 1.00 54.04 H new ATOM 0 HG3 PRO A 90 -0.190 22.813 10.719 1.00 54.04 H new ATOM 0 HD2 PRO A 90 -2.859 22.772 10.180 1.00 63.33 H new ATOM 0 HD3 PRO A 90 -1.672 22.383 8.951 1.00 63.33 H new ATOM 1353 N ARG A 91 -2.984 18.198 11.895 1.00 51.24 N ATOM 1354 CA ARG A 91 -3.655 17.622 13.054 1.00 4.31 C ATOM 1355 C ARG A 91 -3.114 16.228 13.358 1.00 74.14 C ATOM 1356 O ARG A 91 -2.509 15.586 12.499 1.00 22.44 O ATOM 1357 CB ARG A 91 -5.164 17.555 12.816 1.00 52.42 C ATOM 1358 CG ARG A 91 -5.989 17.749 14.078 1.00 72.14 C ATOM 1359 CD ARG A 91 -7.341 18.373 13.769 1.00 10.21 C ATOM 1360 NE ARG A 91 -7.296 19.832 13.826 1.00 71.20 N ATOM 1361 CZ ARG A 91 -7.274 20.523 14.960 1.00 21.33 C ATOM 1362 NH1 ARG A 91 -7.292 19.891 16.126 1.00 62.32 N ATOM 1363 NH2 ARG A 91 -7.233 21.849 14.930 1.00 30.43 N ATOM 0 H ARG A 91 -3.112 17.673 11.030 1.00 51.24 H new ATOM 0 HA ARG A 91 -3.458 18.264 13.912 1.00 4.31 H new ATOM 0 HB2 ARG A 91 -5.443 18.318 12.089 1.00 52.42 H new ATOM 0 HB3 ARG A 91 -5.411 16.589 12.375 1.00 52.42 H new ATOM 0 HG2 ARG A 91 -6.135 16.787 14.570 1.00 72.14 H new ATOM 0 HG3 ARG A 91 -5.444 18.385 14.776 1.00 72.14 H new ATOM 0 HD2 ARG A 91 -7.667 18.059 12.778 1.00 10.21 H new ATOM 0 HD3 ARG A 91 -8.081 18.005 14.480 1.00 10.21 H new ATOM 0 HE ARG A 91 -7.281 20.348 12.947 1.00 71.20 H new ATOM 0 HH11 ARG A 91 -7.323 18.872 16.153 1.00 62.32 H new ATOM 0 HH12 ARG A 91 -7.275 20.424 16.995 1.00 62.32 H new ATOM 0 HH21 ARG A 91 -7.218 22.339 14.035 1.00 30.43 H new ATOM 0 HH22 ARG A 91 -7.216 22.379 15.802 1.00 30.43 H new ATOM 1377 N ASP A 92 -3.337 15.767 14.583 1.00 34.32 N ATOM 1378 CA ASP A 92 -2.874 14.448 15.000 1.00 3.42 C ATOM 1379 C ASP A 92 -1.350 14.374 14.972 1.00 13.34 C ATOM 1380 O ASP A 92 -0.775 13.428 14.434 1.00 42.51 O ATOM 1381 CB ASP A 92 -3.466 13.366 14.096 1.00 50.41 C ATOM 1382 CG ASP A 92 -4.965 13.513 13.923 1.00 50.21 C ATOM 1383 OD1 ASP A 92 -5.425 13.585 12.764 1.00 44.43 O ATOM 1384 OD2 ASP A 92 -5.679 13.555 14.947 1.00 63.14 O ATOM 0 H ASP A 92 -3.836 16.287 15.305 1.00 34.32 H new ATOM 0 HA ASP A 92 -3.210 14.279 16.023 1.00 3.42 H new ATOM 0 HB2 ASP A 92 -2.984 13.409 13.119 1.00 50.41 H new ATOM 0 HB3 ASP A 92 -3.246 12.385 14.517 1.00 50.41 H new ATOM 1389 N ARG A 93 -0.703 15.378 15.555 1.00 13.30 N ATOM 1390 CA ARG A 93 0.753 15.428 15.595 1.00 62.02 C ATOM 1391 C ARG A 93 1.234 16.555 16.504 1.00 21.12 C ATOM 1392 O ARG A 93 1.843 16.310 17.546 1.00 61.44 O ATOM 1393 CB ARG A 93 1.317 15.620 14.186 1.00 71.53 C ATOM 1394 CG ARG A 93 2.822 15.829 14.155 1.00 0.31 C ATOM 1395 CD ARG A 93 3.345 15.903 12.729 1.00 3.12 C ATOM 1396 NE ARG A 93 4.690 16.469 12.668 1.00 2.33 N ATOM 1397 CZ ARG A 93 5.793 15.771 12.913 1.00 23.03 C ATOM 1398 NH1 ARG A 93 5.712 14.487 13.233 1.00 33.05 N ATOM 1399 NH2 ARG A 93 6.981 16.357 12.838 1.00 44.03 N ATOM 0 H ARG A 93 -1.165 16.168 16.006 1.00 13.30 H new ATOM 0 HA ARG A 93 1.113 14.481 15.997 1.00 62.02 H new ATOM 0 HB2 ARG A 93 1.067 14.748 13.582 1.00 71.53 H new ATOM 0 HB3 ARG A 93 0.830 16.478 13.723 1.00 71.53 H new ATOM 0 HG2 ARG A 93 3.074 16.748 14.684 1.00 0.31 H new ATOM 0 HG3 ARG A 93 3.315 15.012 14.683 1.00 0.31 H new ATOM 0 HD2 ARG A 93 3.352 14.904 12.293 1.00 3.12 H new ATOM 0 HD3 ARG A 93 2.669 16.509 12.126 1.00 3.12 H new ATOM 0 HE ARG A 93 4.788 17.455 12.424 1.00 2.33 H new ATOM 0 HH11 ARG A 93 4.801 14.033 13.292 1.00 33.05 H new ATOM 0 HH12 ARG A 93 6.561 13.954 13.421 1.00 33.05 H new ATOM 0 HH21 ARG A 93 7.048 17.345 12.592 1.00 44.03 H new ATOM 0 HH22 ARG A 93 7.827 15.820 13.026 1.00 44.03 H new ATOM 1413 N VAL A 94 0.957 17.791 16.103 1.00 51.51 N ATOM 1414 CA VAL A 94 1.360 18.956 16.881 1.00 3.52 C ATOM 1415 C VAL A 94 0.230 19.430 17.788 1.00 53.24 C ATOM 1416 O VAL A 94 0.470 19.968 18.868 1.00 72.22 O ATOM 1417 CB VAL A 94 1.793 20.119 15.968 1.00 1.03 C ATOM 1418 CG1 VAL A 94 2.221 21.319 16.799 1.00 51.54 C ATOM 1419 CG2 VAL A 94 2.913 19.677 15.038 1.00 11.23 C ATOM 0 H VAL A 94 0.455 18.012 15.243 1.00 51.51 H new ATOM 0 HA VAL A 94 2.208 18.649 17.493 1.00 3.52 H new ATOM 0 HB VAL A 94 0.940 20.416 15.357 1.00 1.03 H new ATOM 0 HG11 VAL A 94 2.523 22.131 16.137 1.00 51.54 H new ATOM 0 HG12 VAL A 94 1.387 21.648 17.419 1.00 51.54 H new ATOM 0 HG13 VAL A 94 3.059 21.039 17.437 1.00 51.54 H new ATOM 0 HG21 VAL A 94 3.207 20.511 14.400 1.00 11.23 H new ATOM 0 HG22 VAL A 94 3.770 19.353 15.629 1.00 11.23 H new ATOM 0 HG23 VAL A 94 2.566 18.850 14.418 1.00 11.23 H new ATOM 1429 N GLY A 95 -1.006 19.226 17.340 1.00 44.21 N ATOM 1430 CA GLY A 95 -2.156 19.638 18.123 1.00 21.00 C ATOM 1431 C GLY A 95 -2.518 18.630 19.196 1.00 43.21 C ATOM 1432 O GLY A 95 -3.503 17.903 19.067 1.00 3.31 O ATOM 0 H GLY A 95 -1.231 18.783 16.449 1.00 44.21 H new ATOM 0 HA2 GLY A 95 -1.948 20.601 18.589 1.00 21.00 H new ATOM 0 HA3 GLY A 95 -3.010 19.782 17.461 1.00 21.00 H new