USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 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 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 140:sc= -1.65 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.335) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.801 USER MOD Single : A 80 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-0.69) USER MOD Single : B 110 CYS SG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot 140:sc= -1.51 USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.476) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot -82:sc= 0.739 USER MOD Single : B 180 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 11.873 32.333 -1.516 1.00 2.54 N ATOM 146 CA CYS A 10 11.806 31.252 -0.551 1.00 1.93 C ATOM 147 C CYS A 10 10.403 31.125 0.061 1.00 1.72 C ATOM 148 O CYS A 10 10.248 31.272 1.273 1.00 1.97 O ATOM 149 CB CYS A 10 12.892 31.360 0.506 1.00 2.28 C ATOM 150 SG CYS A 10 14.433 30.467 0.064 1.00 2.68 S ATOM 0 HA CYS A 10 11.998 30.326 -1.093 1.00 1.93 H new ATOM 0 HB2 CYS A 10 13.125 32.412 0.670 1.00 2.28 H new ATOM 0 HB3 CYS A 10 12.511 30.967 1.449 1.00 2.28 H new ATOM 0 HG CYS A 10 15.307 30.611 1.016 1.00 2.68 H new ATOM 155 N LEU A 11 9.385 30.885 -0.775 1.00 1.49 N ATOM 156 CA LEU A 11 7.993 30.751 -0.306 1.00 1.39 C ATOM 157 C LEU A 11 7.914 30.129 1.091 1.00 1.20 C ATOM 158 O LEU A 11 8.280 28.975 1.269 1.00 1.16 O ATOM 159 CB LEU A 11 7.171 29.921 -1.291 1.00 1.55 C ATOM 160 CG LEU A 11 6.487 30.731 -2.395 1.00 1.91 C ATOM 161 CD1 LEU A 11 5.485 31.714 -1.799 1.00 2.48 C ATOM 162 CD2 LEU A 11 7.525 31.466 -3.231 1.00 2.29 C ATOM 0 H LEU A 11 9.496 30.779 -1.783 1.00 1.49 H new ATOM 0 HA LEU A 11 7.578 31.757 -0.247 1.00 1.39 H new ATOM 0 HB2 LEU A 11 7.823 29.180 -1.754 1.00 1.55 H new ATOM 0 HB3 LEU A 11 6.409 29.373 -0.736 1.00 1.55 H new ATOM 0 HG LEU A 11 5.944 30.043 -3.043 1.00 1.91 H new ATOM 0 HD11 LEU A 11 5.010 32.280 -2.600 1.00 2.48 H new ATOM 0 HD12 LEU A 11 4.725 31.166 -1.242 1.00 2.48 H new ATOM 0 HD13 LEU A 11 6.003 32.400 -1.128 1.00 2.48 H new ATOM 0 HD21 LEU A 11 7.024 32.038 -4.012 1.00 2.29 H new ATOM 0 HD22 LEU A 11 8.093 32.143 -2.593 1.00 2.29 H new ATOM 0 HD23 LEU A 11 8.202 30.744 -3.687 1.00 2.29 H new ATOM 174 N PRO A 12 7.447 30.882 2.103 1.00 1.19 N ATOM 175 CA PRO A 12 7.353 30.386 3.479 1.00 1.11 C ATOM 176 C PRO A 12 6.032 29.689 3.811 1.00 1.01 C ATOM 177 O PRO A 12 4.978 30.325 3.819 1.00 1.05 O ATOM 178 CB PRO A 12 7.480 31.673 4.286 1.00 1.29 C ATOM 179 CG PRO A 12 6.847 32.724 3.434 1.00 1.49 C ATOM 180 CD PRO A 12 7.000 32.282 1.998 1.00 1.39 C ATOM 0 HA PRO A 12 8.104 29.623 3.681 1.00 1.11 H new ATOM 0 HB2 PRO A 12 6.975 31.587 5.248 1.00 1.29 H new ATOM 0 HB3 PRO A 12 8.524 31.908 4.493 1.00 1.29 H new ATOM 0 HG2 PRO A 12 5.794 32.845 3.690 1.00 1.49 H new ATOM 0 HG3 PRO A 12 7.327 33.690 3.593 1.00 1.49 H new ATOM 0 HD2 PRO A 12 6.059 32.361 1.453 1.00 1.39 H new ATOM 0 HD3 PRO A 12 7.728 32.895 1.467 1.00 1.39 H new ATOM 188 N CYS A 13 6.083 28.378 4.091 1.00 0.93 N ATOM 189 CA CYS A 13 4.884 27.627 4.422 1.00 0.89 C ATOM 190 C CYS A 13 4.967 27.083 5.850 1.00 0.90 C ATOM 191 O CYS A 13 5.687 27.606 6.697 1.00 1.00 O ATOM 192 CB CYS A 13 4.633 26.525 3.391 1.00 0.82 C ATOM 193 SG CYS A 13 5.701 25.061 3.558 1.00 0.86 S ATOM 0 H CYS A 13 6.941 27.827 4.092 1.00 0.93 H new ATOM 0 HA CYS A 13 4.026 28.298 4.384 1.00 0.89 H new ATOM 0 HB2 CYS A 13 3.593 26.208 3.466 1.00 0.82 H new ATOM 0 HB3 CYS A 13 4.768 26.943 2.394 1.00 0.82 H new ATOM 198 N GLY A 14 4.232 26.006 6.098 1.00 0.91 N ATOM 199 CA GLY A 14 4.228 25.374 7.403 1.00 0.98 C ATOM 200 C GLY A 14 3.356 26.106 8.375 1.00 1.10 C ATOM 201 O GLY A 14 2.543 26.926 7.954 1.00 1.15 O ATOM 0 H GLY A 14 3.631 25.554 5.408 1.00 0.91 H new ATOM 0 HA2 GLY A 14 3.881 24.345 7.307 1.00 0.98 H new ATOM 0 HA3 GLY A 14 5.246 25.332 7.789 1.00 0.98 H new ATOM 205 N PRO A 15 3.443 25.830 9.685 1.00 1.19 N ATOM 206 CA PRO A 15 2.567 26.509 10.633 1.00 1.33 C ATOM 207 C PRO A 15 2.805 28.006 10.707 1.00 1.40 C ATOM 208 O PRO A 15 3.537 28.524 11.550 1.00 1.57 O ATOM 209 CB PRO A 15 2.991 25.864 11.948 1.00 1.46 C ATOM 210 CG PRO A 15 4.404 25.611 11.654 1.00 1.39 C ATOM 211 CD PRO A 15 4.341 24.906 10.349 1.00 1.21 C ATOM 0 HA PRO A 15 1.515 26.410 10.368 1.00 1.33 H new ATOM 0 HB2 PRO A 15 2.854 26.527 12.802 1.00 1.46 H new ATOM 0 HB3 PRO A 15 2.438 24.949 12.162 1.00 1.46 H new ATOM 0 HG2 PRO A 15 4.976 26.536 11.588 1.00 1.39 H new ATOM 0 HG3 PRO A 15 4.875 24.999 12.423 1.00 1.39 H new ATOM 0 HD2 PRO A 15 5.311 24.824 9.859 1.00 1.21 H new ATOM 0 HD3 PRO A 15 3.937 23.897 10.426 1.00 1.21 H new ATOM 219 N GLY A 16 2.172 28.641 9.779 1.00 1.34 N ATOM 220 CA GLY A 16 2.258 30.061 9.608 1.00 1.47 C ATOM 221 C GLY A 16 3.390 30.535 8.730 1.00 1.43 C ATOM 222 O GLY A 16 3.537 31.745 8.544 1.00 1.68 O ATOM 0 H GLY A 16 1.565 28.181 9.100 1.00 1.34 H new ATOM 0 HA2 GLY A 16 1.318 30.418 9.186 1.00 1.47 H new ATOM 0 HA3 GLY A 16 2.363 30.523 10.590 1.00 1.47 H new ATOM 226 N GLY A 17 4.099 29.626 8.062 1.00 1.28 N ATOM 227 CA GLY A 17 5.068 30.090 7.110 1.00 1.25 C ATOM 228 C GLY A 17 6.483 30.316 7.588 1.00 1.24 C ATOM 229 O GLY A 17 7.146 31.285 7.221 1.00 1.36 O ATOM 0 H GLY A 17 4.018 28.614 8.164 1.00 1.28 H new ATOM 0 HA2 GLY A 17 5.103 29.370 6.292 1.00 1.25 H new ATOM 0 HA3 GLY A 17 4.703 31.029 6.693 1.00 1.25 H new ATOM 233 N LYS A 18 6.952 29.359 8.397 1.00 1.18 N ATOM 234 CA LYS A 18 8.318 29.358 8.932 1.00 1.23 C ATOM 235 C LYS A 18 9.313 28.565 8.057 1.00 1.13 C ATOM 236 O LYS A 18 10.522 28.702 8.221 1.00 1.22 O ATOM 237 CB LYS A 18 8.340 28.781 10.344 1.00 1.28 C ATOM 238 CG LYS A 18 7.059 29.013 11.126 1.00 1.34 C ATOM 239 CD LYS A 18 7.318 29.827 12.380 1.00 1.73 C ATOM 240 CE LYS A 18 7.359 28.950 13.622 1.00 1.91 C ATOM 241 NZ LYS A 18 8.730 28.435 13.899 1.00 2.50 N ATOM 0 H LYS A 18 6.393 28.561 8.700 1.00 1.18 H new ATOM 0 HA LYS A 18 8.637 30.400 8.939 1.00 1.23 H new ATOM 0 HB2 LYS A 18 8.528 27.709 10.285 1.00 1.28 H new ATOM 0 HB3 LYS A 18 9.173 29.221 10.892 1.00 1.28 H new ATOM 0 HG2 LYS A 18 6.335 29.531 10.497 1.00 1.34 H new ATOM 0 HG3 LYS A 18 6.617 28.054 11.397 1.00 1.34 H new ATOM 0 HD2 LYS A 18 8.264 30.359 12.279 1.00 1.73 H new ATOM 0 HD3 LYS A 18 6.538 30.580 12.492 1.00 1.73 H new ATOM 0 HE2 LYS A 18 7.006 29.521 14.481 1.00 1.91 H new ATOM 0 HE3 LYS A 18 6.675 28.110 13.495 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 8.712 27.842 14.753 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 9.058 27.868 13.091 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 9.378 29.235 14.046 1.00 2.50 H new ATOM 255 N GLY A 19 8.805 27.731 7.148 1.00 1.02 N ATOM 256 CA GLY A 19 9.622 26.895 6.258 1.00 0.95 C ATOM 257 C GLY A 19 9.292 27.235 4.817 1.00 0.91 C ATOM 258 O GLY A 19 8.449 28.098 4.615 1.00 1.00 O ATOM 0 H GLY A 19 7.802 27.614 7.005 1.00 1.02 H new ATOM 0 HA2 GLY A 19 10.681 27.064 6.451 1.00 0.95 H new ATOM 0 HA3 GLY A 19 9.427 25.840 6.450 1.00 0.95 H new ATOM 262 N ARG A 20 9.892 26.612 3.786 1.00 0.86 N ATOM 263 CA ARG A 20 9.523 26.936 2.408 1.00 0.86 C ATOM 264 C ARG A 20 8.682 25.797 1.792 1.00 0.80 C ATOM 265 O ARG A 20 8.524 24.738 2.402 1.00 0.78 O ATOM 266 CB ARG A 20 10.770 27.165 1.552 1.00 0.94 C ATOM 267 CG ARG A 20 11.718 28.208 2.114 1.00 1.13 C ATOM 268 CD ARG A 20 12.641 27.610 3.162 1.00 1.55 C ATOM 269 NE ARG A 20 13.777 28.483 3.450 1.00 1.82 N ATOM 270 CZ ARG A 20 14.369 28.568 4.639 1.00 2.25 C ATOM 271 NH1 ARG A 20 13.953 27.819 5.654 1.00 2.59 N ATOM 272 NH2 ARG A 20 15.386 29.399 4.812 1.00 2.92 N ATOM 0 H ARG A 20 10.616 25.900 3.882 1.00 0.86 H new ATOM 0 HA ARG A 20 8.932 27.852 2.427 1.00 0.86 H new ATOM 0 HB2 ARG A 20 11.305 26.221 1.447 1.00 0.94 H new ATOM 0 HB3 ARG A 20 10.461 27.470 0.552 1.00 0.94 H new ATOM 0 HG2 ARG A 20 12.311 28.636 1.306 1.00 1.13 H new ATOM 0 HG3 ARG A 20 11.145 29.023 2.555 1.00 1.13 H new ATOM 0 HD2 ARG A 20 12.080 27.430 4.079 1.00 1.55 H new ATOM 0 HD3 ARG A 20 13.005 26.643 2.816 1.00 1.55 H new ATOM 0 HE ARG A 20 14.139 29.063 2.693 1.00 1.82 H new ATOM 0 HH11 ARG A 20 13.174 27.173 5.525 1.00 2.59 H new ATOM 0 HH12 ARG A 20 14.412 27.890 6.562 1.00 2.59 H new ATOM 0 HH21 ARG A 20 15.714 29.972 4.035 1.00 2.92 H new ATOM 0 HH22 ARG A 20 15.841 29.466 5.722 1.00 2.92 H new ATOM 286 N CYS A 21 8.151 26.015 0.583 1.00 0.82 N ATOM 287 CA CYS A 21 7.341 24.995 -0.102 1.00 0.81 C ATOM 288 C CYS A 21 8.119 24.395 -1.270 1.00 0.84 C ATOM 289 O CYS A 21 8.745 25.121 -2.042 1.00 1.04 O ATOM 290 CB CYS A 21 6.041 25.605 -0.649 1.00 0.91 C ATOM 291 SG CYS A 21 4.525 25.071 0.202 1.00 1.10 S ATOM 0 H CYS A 21 8.265 26.883 0.059 1.00 0.82 H new ATOM 0 HA CYS A 21 7.103 24.220 0.627 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.112 26.691 -0.586 1.00 0.91 H new ATOM 0 HB3 CYS A 21 5.955 25.352 -1.706 1.00 0.91 H new ATOM 296 N PHE A 22 8.072 23.069 -1.403 1.00 0.76 N ATOM 297 CA PHE A 22 8.781 22.392 -2.494 1.00 0.83 C ATOM 298 C PHE A 22 7.792 21.799 -3.488 1.00 0.94 C ATOM 299 O PHE A 22 7.670 22.275 -4.618 1.00 1.43 O ATOM 300 CB PHE A 22 9.697 21.303 -1.933 1.00 0.85 C ATOM 301 CG PHE A 22 10.782 21.861 -1.060 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.560 22.070 0.291 1.00 1.40 C ATOM 303 CD2 PHE A 22 12.012 22.206 -1.595 1.00 1.42 C ATOM 304 CE1 PHE A 22 11.548 22.609 1.093 1.00 1.51 C ATOM 305 CE2 PHE A 22 13.002 22.751 -0.799 1.00 1.50 C ATOM 306 CZ PHE A 22 12.769 22.953 0.549 1.00 1.14 C ATOM 0 H PHE A 22 7.558 22.447 -0.779 1.00 0.76 H new ATOM 0 HA PHE A 22 9.393 23.125 -3.019 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.102 20.592 -1.359 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.147 20.750 -2.758 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.605 21.809 0.722 1.00 1.40 H new ATOM 0 HD2 PHE A 22 12.200 22.047 -2.647 1.00 1.42 H new ATOM 0 HE1 PHE A 22 11.365 22.761 2.146 1.00 1.51 H new ATOM 0 HE2 PHE A 22 13.956 23.019 -1.229 1.00 1.50 H new ATOM 0 HZ PHE A 22 13.540 23.379 1.174 1.00 1.14 H new ATOM 316 N GLY A 23 7.075 20.773 -3.055 1.00 0.83 N ATOM 317 CA GLY A 23 6.086 20.145 -3.908 1.00 0.88 C ATOM 318 C GLY A 23 4.682 20.502 -3.470 1.00 0.88 C ATOM 319 O GLY A 23 4.474 21.556 -2.877 1.00 0.90 O ATOM 0 H GLY A 23 7.160 20.363 -2.125 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.239 20.460 -4.940 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.214 19.063 -3.882 1.00 0.88 H new ATOM 323 N PRO A 24 3.688 19.648 -3.742 1.00 1.01 N ATOM 324 CA PRO A 24 2.311 19.906 -3.356 1.00 1.07 C ATOM 325 C PRO A 24 2.000 19.386 -1.952 1.00 0.96 C ATOM 326 O PRO A 24 1.481 20.120 -1.111 1.00 1.03 O ATOM 327 CB PRO A 24 1.500 19.143 -4.410 1.00 1.32 C ATOM 328 CG PRO A 24 2.453 18.186 -5.073 1.00 1.50 C ATOM 329 CD PRO A 24 3.816 18.372 -4.443 1.00 1.24 C ATOM 0 HA PRO A 24 2.085 20.972 -3.319 1.00 1.07 H new ATOM 0 HB2 PRO A 24 0.671 18.607 -3.948 1.00 1.32 H new ATOM 0 HB3 PRO A 24 1.069 19.829 -5.139 1.00 1.32 H new ATOM 0 HG2 PRO A 24 2.111 17.159 -4.946 1.00 1.50 H new ATOM 0 HG3 PRO A 24 2.500 18.376 -6.145 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.058 17.559 -3.758 1.00 1.24 H new ATOM 0 HD3 PRO A 24 4.606 18.402 -5.194 1.00 1.24 H new ATOM 337 N SER A 25 2.327 18.119 -1.703 1.00 0.97 N ATOM 338 CA SER A 25 2.092 17.507 -0.399 1.00 0.92 C ATOM 339 C SER A 25 3.370 17.509 0.428 1.00 0.78 C ATOM 340 O SER A 25 3.582 16.617 1.240 1.00 0.81 O ATOM 341 CB SER A 25 1.592 16.061 -0.559 1.00 1.12 C ATOM 342 OG SER A 25 0.176 16.007 -0.576 1.00 1.26 O ATOM 0 H SER A 25 2.756 17.497 -2.388 1.00 0.97 H new ATOM 0 HA SER A 25 1.329 18.093 0.114 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.986 15.637 -1.483 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.972 15.449 0.259 1.00 1.12 H new ATOM 0 HG SER A 25 -0.115 15.077 -0.680 1.00 1.26 H new ATOM 348 N ILE A 26 4.239 18.492 0.209 1.00 0.70 N ATOM 349 CA ILE A 26 5.491 18.541 0.942 1.00 0.61 C ATOM 350 C ILE A 26 5.862 19.964 1.392 1.00 0.58 C ATOM 351 O ILE A 26 6.135 20.855 0.570 1.00 0.73 O ATOM 352 CB ILE A 26 6.628 17.937 0.097 1.00 0.60 C ATOM 353 CG1 ILE A 26 6.343 16.489 -0.247 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.967 18.074 0.792 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.724 16.125 -1.666 1.00 0.83 C ATOM 0 H ILE A 26 4.100 19.251 -0.458 1.00 0.70 H new ATOM 0 HA ILE A 26 5.352 17.948 1.846 1.00 0.61 H new ATOM 0 HB ILE A 26 6.679 18.501 -0.834 1.00 0.60 H new ATOM 0 HG12 ILE A 26 6.886 15.845 0.444 1.00 0.79 H new ATOM 0 HG13 ILE A 26 5.281 16.290 -0.101 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.747 17.637 0.168 1.00 0.74 H new ATOM 0 HG22 ILE A 26 8.184 19.129 0.959 1.00 0.74 H new ATOM 0 HG23 ILE A 26 7.935 17.554 1.750 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.494 15.075 -1.847 1.00 0.83 H new ATOM 0 HD12 ILE A 26 6.162 16.745 -2.364 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.791 16.293 -1.811 1.00 0.83 H new ATOM 367 N CYS A 27 5.901 20.145 2.715 1.00 0.56 N ATOM 368 CA CYS A 27 6.264 21.425 3.321 1.00 0.56 C ATOM 369 C CYS A 27 7.320 21.218 4.399 1.00 0.55 C ATOM 370 O CYS A 27 7.155 20.415 5.304 1.00 0.59 O ATOM 371 CB CYS A 27 5.047 22.118 3.922 1.00 0.60 C ATOM 372 SG CYS A 27 4.479 23.552 2.973 1.00 0.92 S ATOM 0 H CYS A 27 5.683 19.413 3.391 1.00 0.56 H new ATOM 0 HA CYS A 27 6.669 22.062 2.534 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.232 21.399 3.998 1.00 0.60 H new ATOM 0 HB3 CYS A 27 5.286 22.437 4.936 1.00 0.60 H new ATOM 377 N CYS A 28 8.413 21.936 4.256 1.00 0.56 N ATOM 378 CA CYS A 28 9.548 21.863 5.147 1.00 0.58 C ATOM 379 C CYS A 28 9.835 23.193 5.890 1.00 0.61 C ATOM 380 O CYS A 28 9.437 24.274 5.466 1.00 0.76 O ATOM 381 CB CYS A 28 10.817 21.540 4.351 1.00 0.65 C ATOM 382 SG CYS A 28 10.978 19.867 3.637 1.00 1.28 S ATOM 0 H CYS A 28 8.539 22.604 3.496 1.00 0.56 H new ATOM 0 HA CYS A 28 9.296 21.091 5.874 1.00 0.58 H new ATOM 0 HB2 CYS A 28 10.892 22.260 3.536 1.00 0.65 H new ATOM 0 HB3 CYS A 28 11.673 21.708 5.005 1.00 0.65 H new ATOM 387 N GLY A 29 10.622 23.029 6.985 1.00 0.62 N ATOM 388 CA GLY A 29 11.088 24.107 7.801 1.00 0.65 C ATOM 389 C GLY A 29 12.477 23.766 8.306 1.00 0.67 C ATOM 390 O GLY A 29 12.967 22.675 8.068 1.00 0.66 O ATOM 0 H GLY A 29 10.939 22.114 7.305 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.111 25.033 7.227 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.410 24.268 8.639 1.00 0.65 H new ATOM 394 N ASP A 30 13.099 24.667 9.013 1.00 0.72 N ATOM 395 CA ASP A 30 14.428 24.444 9.550 1.00 0.76 C ATOM 396 C ASP A 30 14.405 23.341 10.590 1.00 0.77 C ATOM 397 O ASP A 30 15.147 22.369 10.531 1.00 0.80 O ATOM 398 CB ASP A 30 14.978 25.736 10.161 1.00 0.84 C ATOM 399 CG ASP A 30 16.480 25.690 10.342 1.00 1.41 C ATOM 400 OD1 ASP A 30 16.942 25.035 11.300 1.00 2.27 O ATOM 401 OD2 ASP A 30 17.197 26.305 9.524 1.00 1.92 O ATOM 0 H ASP A 30 12.705 25.581 9.238 1.00 0.72 H new ATOM 0 HA ASP A 30 15.081 24.136 8.734 1.00 0.76 H new ATOM 0 HB2 ASP A 30 14.717 26.578 9.521 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.503 25.910 11.126 1.00 0.84 H new ATOM 406 N GLU A 31 13.528 23.541 11.523 1.00 0.78 N ATOM 407 CA GLU A 31 13.288 22.663 12.634 1.00 0.83 C ATOM 408 C GLU A 31 11.844 22.213 12.578 1.00 0.87 C ATOM 409 O GLU A 31 11.267 21.770 13.568 1.00 1.00 O ATOM 410 CB GLU A 31 13.563 23.384 13.951 1.00 0.90 C ATOM 411 CG GLU A 31 13.248 24.874 13.918 1.00 0.99 C ATOM 412 CD GLU A 31 14.157 25.687 14.813 1.00 1.14 C ATOM 413 OE1 GLU A 31 15.391 25.548 14.691 1.00 1.64 O ATOM 414 OE2 GLU A 31 13.634 26.470 15.633 1.00 1.66 O ATOM 0 H GLU A 31 12.926 24.364 11.534 1.00 0.78 H new ATOM 0 HA GLU A 31 13.953 21.801 12.577 1.00 0.83 H new ATOM 0 HB2 GLU A 31 12.974 22.916 14.740 1.00 0.90 H new ATOM 0 HB3 GLU A 31 14.612 23.250 14.215 1.00 0.90 H new ATOM 0 HG2 GLU A 31 13.336 25.236 12.894 1.00 0.99 H new ATOM 0 HG3 GLU A 31 12.213 25.028 14.223 1.00 0.99 H new ATOM 421 N LEU A 32 11.279 22.363 11.405 1.00 0.82 N ATOM 422 CA LEU A 32 9.945 22.006 11.145 1.00 0.88 C ATOM 423 C LEU A 32 9.952 20.829 10.205 1.00 0.82 C ATOM 424 O LEU A 32 8.949 20.136 10.025 1.00 0.90 O ATOM 425 CB LEU A 32 9.267 23.209 10.564 1.00 0.93 C ATOM 426 CG LEU A 32 8.096 23.734 11.379 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.501 24.951 10.702 1.00 1.24 C ATOM 428 CD2 LEU A 32 7.056 22.644 11.592 1.00 1.37 C ATOM 0 H LEU A 32 11.766 22.749 10.596 1.00 0.82 H new ATOM 0 HA LEU A 32 9.401 21.707 12.041 1.00 0.88 H new ATOM 0 HB2 LEU A 32 10.002 24.006 10.455 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.914 22.962 9.563 1.00 0.93 H new ATOM 0 HG LEU A 32 8.453 24.035 12.364 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.662 25.322 11.292 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.260 25.729 10.621 1.00 1.24 H new ATOM 0 HD13 LEU A 32 7.152 24.679 9.706 1.00 1.24 H new ATOM 0 HD21 LEU A 32 6.227 23.042 12.177 1.00 1.37 H new ATOM 0 HD22 LEU A 32 6.686 22.300 10.626 1.00 1.37 H new ATOM 0 HD23 LEU A 32 7.509 21.808 12.125 1.00 1.37 H new ATOM 440 N GLY A 33 11.129 20.580 9.647 1.00 0.73 N ATOM 441 CA GLY A 33 11.293 19.467 8.783 1.00 0.71 C ATOM 442 C GLY A 33 10.318 19.492 7.635 1.00 0.67 C ATOM 443 O GLY A 33 10.214 20.499 6.954 1.00 0.65 O ATOM 0 H GLY A 33 11.968 21.143 9.789 1.00 0.73 H new ATOM 0 HA2 GLY A 33 12.311 19.458 8.393 1.00 0.71 H new ATOM 0 HA3 GLY A 33 11.161 18.546 9.350 1.00 0.71 H new ATOM 447 N CYS A 34 9.578 18.408 7.411 1.00 0.70 N ATOM 448 CA CYS A 34 8.632 18.413 6.320 1.00 0.69 C ATOM 449 C CYS A 34 7.365 17.673 6.595 1.00 0.65 C ATOM 450 O CYS A 34 7.363 16.455 6.769 1.00 0.62 O ATOM 451 CB CYS A 34 9.250 17.859 5.065 1.00 0.73 C ATOM 452 SG CYS A 34 9.152 19.012 3.664 1.00 1.08 S ATOM 0 H CYS A 34 9.618 17.546 7.955 1.00 0.70 H new ATOM 0 HA CYS A 34 8.369 19.463 6.192 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.295 17.615 5.257 1.00 0.73 H new ATOM 0 HB3 CYS A 34 8.749 16.928 4.799 1.00 0.73 H new ATOM 457 N PHE A 35 6.269 18.403 6.494 1.00 0.68 N ATOM 458 CA PHE A 35 4.984 17.775 6.605 1.00 0.67 C ATOM 459 C PHE A 35 4.722 17.318 5.205 1.00 0.64 C ATOM 460 O PHE A 35 4.435 18.139 4.332 1.00 0.63 O ATOM 461 CB PHE A 35 3.871 18.745 7.052 1.00 0.69 C ATOM 462 CG PHE A 35 4.370 20.020 7.656 1.00 0.73 C ATOM 463 CD1 PHE A 35 4.979 20.972 6.864 1.00 0.98 C ATOM 464 CD2 PHE A 35 4.247 20.257 9.011 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.465 22.139 7.408 1.00 1.21 C ATOM 466 CE2 PHE A 35 4.725 21.427 9.563 1.00 1.38 C ATOM 467 CZ PHE A 35 5.338 22.369 8.758 1.00 1.26 C ATOM 0 H PHE A 35 6.250 19.411 6.338 1.00 0.68 H new ATOM 0 HA PHE A 35 4.985 16.985 7.356 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.247 18.985 6.191 1.00 0.69 H new ATOM 0 HB3 PHE A 35 3.234 18.239 7.777 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.076 20.799 5.802 1.00 0.98 H new ATOM 0 HD2 PHE A 35 3.773 19.521 9.643 1.00 1.16 H new ATOM 0 HE1 PHE A 35 5.945 22.872 6.777 1.00 1.21 H new ATOM 0 HE2 PHE A 35 4.621 21.607 10.623 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.717 23.284 9.189 1.00 1.26 H new ATOM 477 N VAL A 36 4.834 16.038 4.953 1.00 0.67 N ATOM 478 CA VAL A 36 4.620 15.588 3.618 1.00 0.68 C ATOM 479 C VAL A 36 3.174 15.193 3.467 1.00 0.71 C ATOM 480 O VAL A 36 2.781 14.037 3.621 1.00 0.74 O ATOM 481 CB VAL A 36 5.603 14.472 3.206 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.662 14.393 1.687 1.00 0.75 C ATOM 483 CG2 VAL A 36 7.005 14.755 3.776 1.00 0.76 C ATOM 0 H VAL A 36 5.065 15.316 5.636 1.00 0.67 H new ATOM 0 HA VAL A 36 4.830 16.403 2.925 1.00 0.68 H new ATOM 0 HB VAL A 36 5.255 13.520 3.608 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.355 13.606 1.390 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.670 14.169 1.295 1.00 0.75 H new ATOM 0 HG13 VAL A 36 6.003 15.347 1.286 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.687 13.959 3.477 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.369 15.708 3.391 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.953 14.799 4.864 1.00 0.76 H new ATOM 493 N GLY A 37 2.395 16.225 3.167 1.00 0.71 N ATOM 494 CA GLY A 37 0.961 16.075 2.977 1.00 0.76 C ATOM 495 C GLY A 37 0.131 16.405 4.215 1.00 0.72 C ATOM 496 O GLY A 37 -0.372 15.508 4.892 1.00 0.81 O ATOM 0 H GLY A 37 2.736 17.179 3.050 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.644 16.720 2.158 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.751 15.049 2.674 1.00 0.76 H new ATOM 500 N THR A 38 -0.032 17.698 4.482 1.00 0.68 N ATOM 501 CA THR A 38 -0.824 18.186 5.617 1.00 0.68 C ATOM 502 C THR A 38 -1.308 19.594 5.298 1.00 0.72 C ATOM 503 O THR A 38 -0.927 20.139 4.261 1.00 0.77 O ATOM 504 CB THR A 38 0.014 18.202 6.902 1.00 0.72 C ATOM 505 OG1 THR A 38 1.061 19.154 6.812 1.00 0.77 O ATOM 506 CG2 THR A 38 0.639 16.867 7.235 1.00 0.76 C ATOM 0 H THR A 38 0.381 18.442 3.919 1.00 0.68 H new ATOM 0 HA THR A 38 -1.672 17.521 5.778 1.00 0.68 H new ATOM 0 HB THR A 38 -0.690 18.461 7.693 1.00 0.72 H new ATOM 0 HG1 THR A 38 1.156 19.618 7.670 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.216 16.955 8.156 1.00 0.76 H new ATOM 0 HG22 THR A 38 -0.145 16.121 7.368 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.297 16.561 6.422 1.00 0.76 H new ATOM 514 N ALA A 39 -2.113 20.227 6.163 1.00 0.77 N ATOM 515 CA ALA A 39 -2.563 21.579 5.894 1.00 0.86 C ATOM 516 C ALA A 39 -1.393 22.545 5.996 1.00 0.82 C ATOM 517 O ALA A 39 -1.473 23.680 5.556 1.00 0.86 O ATOM 518 CB ALA A 39 -3.672 21.969 6.863 1.00 1.02 C ATOM 0 H ALA A 39 -2.455 19.825 7.036 1.00 0.77 H new ATOM 0 HA ALA A 39 -2.964 21.626 4.881 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.000 22.986 6.650 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -4.513 21.285 6.748 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -3.297 21.915 7.885 1.00 1.02 H new ATOM 524 N GLU A 40 -0.286 22.092 6.561 1.00 0.78 N ATOM 525 CA GLU A 40 0.884 22.943 6.651 1.00 0.79 C ATOM 526 C GLU A 40 1.367 23.251 5.231 1.00 0.74 C ATOM 527 O GLU A 40 2.127 24.193 5.002 1.00 0.79 O ATOM 528 CB GLU A 40 1.979 22.262 7.474 1.00 0.82 C ATOM 529 CG GLU A 40 1.810 22.457 8.973 1.00 1.25 C ATOM 530 CD GLU A 40 1.495 21.166 9.703 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.560 20.455 9.277 1.00 2.32 O ATOM 532 OE2 GLU A 40 2.184 20.864 10.700 1.00 1.91 O ATOM 0 H GLU A 40 -0.175 21.158 6.956 1.00 0.78 H new ATOM 0 HA GLU A 40 0.633 23.875 7.157 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.982 21.195 7.251 1.00 0.82 H new ATOM 0 HB3 GLU A 40 2.950 22.654 7.170 1.00 0.82 H new ATOM 0 HG2 GLU A 40 2.723 22.887 9.384 1.00 1.25 H new ATOM 0 HG3 GLU A 40 1.010 23.175 9.153 1.00 1.25 H new ATOM 539 N ALA A 41 0.916 22.419 4.282 1.00 0.70 N ATOM 540 CA ALA A 41 1.285 22.553 2.883 1.00 0.71 C ATOM 541 C ALA A 41 0.109 22.967 1.989 1.00 0.78 C ATOM 542 O ALA A 41 0.306 23.278 0.829 1.00 0.87 O ATOM 543 CB ALA A 41 1.879 21.244 2.384 1.00 0.77 C ATOM 0 H ALA A 41 0.287 21.639 4.471 1.00 0.70 H new ATOM 0 HA ALA A 41 2.023 23.353 2.822 1.00 0.71 H new ATOM 0 HB1 ALA A 41 2.155 21.346 1.335 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.765 21.000 2.970 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.143 20.447 2.489 1.00 0.77 H new ATOM 549 N LEU A 42 -1.118 22.922 2.483 1.00 0.81 N ATOM 550 CA LEU A 42 -2.251 23.256 1.642 1.00 0.94 C ATOM 551 C LEU A 42 -2.128 24.638 0.976 1.00 1.05 C ATOM 552 O LEU A 42 -2.741 24.881 -0.062 1.00 1.23 O ATOM 553 CB LEU A 42 -3.521 23.023 2.420 1.00 0.98 C ATOM 554 CG LEU A 42 -4.035 24.112 3.356 1.00 1.02 C ATOM 555 CD1 LEU A 42 -2.924 24.961 3.922 1.00 1.11 C ATOM 556 CD2 LEU A 42 -5.091 24.963 2.669 1.00 1.16 C ATOM 0 H LEU A 42 -1.350 22.663 3.442 1.00 0.81 H new ATOM 0 HA LEU A 42 -2.275 22.589 0.780 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -4.311 22.810 1.700 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -3.380 22.120 3.014 1.00 0.98 H new ATOM 0 HG LEU A 42 -4.501 23.610 4.204 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -3.346 25.720 4.581 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -2.236 24.331 4.487 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -2.386 25.446 3.108 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -5.442 25.732 3.357 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -4.660 25.435 1.786 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -5.929 24.333 2.371 1.00 1.16 H new ATOM 568 N ARG A 43 -1.265 25.505 1.519 1.00 1.04 N ATOM 569 CA ARG A 43 -0.992 26.811 0.895 1.00 1.23 C ATOM 570 C ARG A 43 -0.003 26.550 -0.253 1.00 1.24 C ATOM 571 O ARG A 43 0.264 27.386 -1.116 1.00 1.46 O ATOM 572 CB ARG A 43 -0.388 27.785 1.915 1.00 1.32 C ATOM 573 CG ARG A 43 0.789 27.214 2.688 1.00 1.34 C ATOM 574 CD ARG A 43 1.341 28.222 3.685 1.00 1.50 C ATOM 575 NE ARG A 43 1.871 29.414 3.025 1.00 1.88 N ATOM 576 CZ ARG A 43 1.250 30.592 2.993 1.00 2.20 C ATOM 577 NH1 ARG A 43 0.071 30.754 3.583 1.00 2.39 N ATOM 578 NH2 ARG A 43 1.812 31.617 2.366 1.00 2.92 N ATOM 0 H ARG A 43 -0.747 25.331 2.380 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.911 27.266 0.526 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -0.065 28.687 1.395 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -1.163 28.084 2.621 1.00 1.32 H new ATOM 0 HG2 ARG A 43 0.477 26.312 3.215 1.00 1.34 H new ATOM 0 HG3 ARG A 43 1.575 26.921 1.992 1.00 1.34 H new ATOM 0 HD2 ARG A 43 0.553 28.513 4.380 1.00 1.50 H new ATOM 0 HD3 ARG A 43 2.129 27.754 4.275 1.00 1.50 H new ATOM 0 HE ARG A 43 2.775 29.339 2.559 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -0.369 29.971 4.067 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -0.395 31.661 3.552 1.00 2.39 H new ATOM 0 HH21 ARG A 43 2.717 31.502 1.910 1.00 2.92 H new ATOM 0 HH22 ARG A 43 1.339 32.520 2.340 1.00 2.92 H new ATOM 592 N CYS A 44 0.545 25.347 -0.155 1.00 1.08 N ATOM 593 CA CYS A 44 1.549 24.884 -1.119 1.00 1.15 C ATOM 594 C CYS A 44 0.944 24.927 -2.530 1.00 1.41 C ATOM 595 O CYS A 44 1.661 25.013 -3.524 1.00 1.57 O ATOM 596 CB CYS A 44 2.116 23.496 -0.802 1.00 1.04 C ATOM 597 SG CYS A 44 3.937 23.426 -0.839 1.00 1.28 S ATOM 0 H CYS A 44 0.317 24.673 0.576 1.00 1.08 H new ATOM 0 HA CYS A 44 2.401 25.560 -1.053 1.00 1.15 H new ATOM 0 HB2 CYS A 44 1.769 23.187 0.184 1.00 1.04 H new ATOM 0 HB3 CYS A 44 1.718 22.778 -1.519 1.00 1.04 H new ATOM 602 N GLN A 45 -0.390 24.890 -2.601 1.00 1.55 N ATOM 603 CA GLN A 45 -1.115 24.944 -3.874 1.00 1.86 C ATOM 604 C GLN A 45 -0.715 26.153 -4.731 1.00 2.09 C ATOM 605 O GLN A 45 -0.924 26.157 -5.949 1.00 2.35 O ATOM 606 CB GLN A 45 -2.620 24.998 -3.604 1.00 1.97 C ATOM 607 CG GLN A 45 -3.475 24.736 -4.833 1.00 2.40 C ATOM 608 CD GLN A 45 -4.191 23.400 -4.774 1.00 2.73 C ATOM 609 OE1 GLN A 45 -3.782 22.435 -5.419 1.00 3.31 O ATOM 610 NE2 GLN A 45 -5.267 23.338 -3.997 1.00 3.02 N ATOM 0 H GLN A 45 -0.995 24.822 -1.783 1.00 1.55 H new ATOM 0 HA GLN A 45 -0.853 24.044 -4.431 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -2.868 24.264 -2.837 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -2.872 25.979 -3.200 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -4.211 25.534 -4.935 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -2.845 24.767 -5.722 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -5.571 24.163 -3.480 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -5.789 22.465 -3.918 1.00 3.02 H new ATOM 619 N GLU A 46 -0.135 27.179 -4.115 1.00 2.07 N ATOM 620 CA GLU A 46 0.249 28.366 -4.873 1.00 2.35 C ATOM 621 C GLU A 46 1.629 28.189 -5.488 1.00 2.34 C ATOM 622 O GLU A 46 2.165 29.103 -6.120 1.00 2.50 O ATOM 623 CB GLU A 46 0.237 29.611 -3.980 1.00 2.41 C ATOM 624 CG GLU A 46 -1.159 30.063 -3.577 1.00 2.80 C ATOM 625 CD GLU A 46 -1.300 30.263 -2.080 1.00 3.19 C ATOM 626 OE1 GLU A 46 -0.541 31.080 -1.515 1.00 3.53 O ATOM 627 OE2 GLU A 46 -2.169 29.603 -1.472 1.00 3.69 O ATOM 0 H GLU A 46 0.076 27.215 -3.118 1.00 2.07 H new ATOM 0 HA GLU A 46 -0.480 28.500 -5.672 1.00 2.35 H new ATOM 0 HB2 GLU A 46 0.817 29.407 -3.080 1.00 2.41 H new ATOM 0 HB3 GLU A 46 0.736 30.427 -4.503 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -1.396 30.996 -4.088 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.887 29.323 -3.911 1.00 2.80 H new ATOM 634 N GLU A 47 2.173 26.983 -5.362 1.00 2.22 N ATOM 635 CA GLU A 47 3.457 26.681 -5.953 1.00 2.31 C ATOM 636 C GLU A 47 3.266 26.333 -7.423 1.00 2.34 C ATOM 637 O GLU A 47 4.231 26.037 -8.129 1.00 2.42 O ATOM 638 CB GLU A 47 4.129 25.517 -5.225 1.00 2.37 C ATOM 639 CG GLU A 47 5.164 25.955 -4.205 1.00 2.96 C ATOM 640 CD GLU A 47 6.549 26.089 -4.807 1.00 3.45 C ATOM 641 OE1 GLU A 47 7.072 25.079 -5.321 1.00 3.99 O ATOM 642 OE2 GLU A 47 7.108 27.205 -4.765 1.00 3.68 O ATOM 0 H GLU A 47 1.742 26.208 -4.858 1.00 2.22 H new ATOM 0 HA GLU A 47 4.100 27.556 -5.863 1.00 2.31 H new ATOM 0 HB2 GLU A 47 3.365 24.924 -4.723 1.00 2.37 H new ATOM 0 HB3 GLU A 47 4.606 24.867 -5.959 1.00 2.37 H new ATOM 0 HG2 GLU A 47 4.864 26.910 -3.775 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.194 25.233 -3.389 1.00 2.96 H new ATOM 769 N SER A 56 18.362 25.726 -1.449 1.00 2.28 N ATOM 770 CA SER A 56 18.891 25.897 -0.087 1.00 2.07 C ATOM 771 C SER A 56 18.844 24.590 0.718 1.00 1.82 C ATOM 772 O SER A 56 18.073 24.471 1.673 1.00 2.22 O ATOM 773 CB SER A 56 18.130 26.995 0.675 1.00 2.60 C ATOM 774 OG SER A 56 19.013 27.778 1.462 1.00 3.12 O ATOM 0 HA SER A 56 19.934 26.195 -0.197 1.00 2.07 H new ATOM 0 HB2 SER A 56 17.604 27.636 -0.033 1.00 2.60 H new ATOM 0 HB3 SER A 56 17.374 26.540 1.315 1.00 2.60 H new ATOM 0 HG SER A 56 18.504 28.469 1.935 1.00 3.12 H new ATOM 780 N GLY A 57 19.653 23.600 0.324 1.00 1.58 N ATOM 781 CA GLY A 57 19.684 22.333 0.995 1.00 1.86 C ATOM 782 C GLY A 57 20.466 21.373 0.142 1.00 1.68 C ATOM 783 O GLY A 57 19.905 20.708 -0.719 1.00 2.10 O ATOM 0 H GLY A 57 20.294 23.672 -0.466 1.00 1.58 H new ATOM 0 HA2 GLY A 57 20.146 22.433 1.977 1.00 1.86 H new ATOM 0 HA3 GLY A 57 18.672 21.962 1.156 1.00 1.86 H new ATOM 787 N GLN A 58 21.766 21.315 0.359 1.00 1.37 N ATOM 788 CA GLN A 58 22.609 20.446 -0.427 1.00 1.46 C ATOM 789 C GLN A 58 23.105 19.328 0.436 1.00 1.08 C ATOM 790 O GLN A 58 24.265 19.264 0.828 1.00 1.00 O ATOM 791 CB GLN A 58 23.785 21.218 -1.023 1.00 1.97 C ATOM 792 CG GLN A 58 24.409 20.543 -2.236 1.00 2.80 C ATOM 793 CD GLN A 58 24.540 21.480 -3.421 1.00 3.61 C ATOM 794 OE1 GLN A 58 23.554 21.797 -4.089 1.00 3.96 O ATOM 795 NE2 GLN A 58 25.760 21.930 -3.687 1.00 4.36 N ATOM 0 H GLN A 58 22.256 21.858 1.070 1.00 1.37 H new ATOM 0 HA GLN A 58 22.025 20.039 -1.252 1.00 1.46 H new ATOM 0 HB2 GLN A 58 23.447 22.215 -1.307 1.00 1.97 H new ATOM 0 HB3 GLN A 58 24.549 21.347 -0.257 1.00 1.97 H new ATOM 0 HG2 GLN A 58 25.394 20.162 -1.968 1.00 2.80 H new ATOM 0 HG3 GLN A 58 23.802 19.684 -2.522 1.00 2.80 H new ATOM 0 HE21 GLN A 58 26.548 21.641 -3.107 1.00 4.36 H new ATOM 0 HE22 GLN A 58 25.910 22.565 -4.471 1.00 4.36 H new ATOM 804 N LYS A 59 22.221 18.405 0.635 1.00 1.17 N ATOM 805 CA LYS A 59 22.512 17.224 1.428 1.00 1.13 C ATOM 806 C LYS A 59 21.852 16.054 0.751 1.00 0.95 C ATOM 807 O LYS A 59 21.071 15.316 1.345 1.00 0.88 O ATOM 808 CB LYS A 59 21.939 17.341 2.858 1.00 1.54 C ATOM 809 CG LYS A 59 22.550 18.441 3.709 1.00 1.90 C ATOM 810 CD LYS A 59 21.870 19.781 3.482 1.00 2.17 C ATOM 811 CE LYS A 59 22.618 20.898 4.187 1.00 2.82 C ATOM 812 NZ LYS A 59 21.848 22.171 4.189 1.00 3.55 N ATOM 0 H LYS A 59 21.273 18.435 0.259 1.00 1.17 H new ATOM 0 HA LYS A 59 23.593 17.105 1.504 1.00 1.13 H new ATOM 0 HB2 LYS A 59 20.864 17.511 2.789 1.00 1.54 H new ATOM 0 HB3 LYS A 59 22.079 16.388 3.368 1.00 1.54 H new ATOM 0 HG2 LYS A 59 22.474 18.169 4.762 1.00 1.90 H new ATOM 0 HG3 LYS A 59 23.612 18.530 3.479 1.00 1.90 H new ATOM 0 HD2 LYS A 59 21.819 19.991 2.414 1.00 2.17 H new ATOM 0 HD3 LYS A 59 20.844 19.739 3.848 1.00 2.17 H new ATOM 0 HE2 LYS A 59 22.829 20.601 5.214 1.00 2.82 H new ATOM 0 HE3 LYS A 59 23.579 21.056 3.697 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 22.251 22.819 4.895 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 21.899 22.609 3.247 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 20.854 21.975 4.426 1.00 3.55 H new ATOM 826 N PRO A 60 22.156 15.902 -0.560 1.00 1.06 N ATOM 827 CA PRO A 60 21.606 14.835 -1.369 1.00 1.15 C ATOM 828 C PRO A 60 21.843 13.446 -0.786 1.00 1.10 C ATOM 829 O PRO A 60 22.879 12.809 -0.977 1.00 1.23 O ATOM 830 CB PRO A 60 22.286 14.984 -2.736 1.00 1.48 C ATOM 831 CG PRO A 60 23.433 15.906 -2.506 1.00 1.54 C ATOM 832 CD PRO A 60 23.021 16.786 -1.362 1.00 1.30 C ATOM 0 HA PRO A 60 20.521 14.920 -1.425 1.00 1.15 H new ATOM 0 HB2 PRO A 60 22.626 14.020 -3.113 1.00 1.48 H new ATOM 0 HB3 PRO A 60 21.597 15.391 -3.476 1.00 1.48 H new ATOM 0 HG2 PRO A 60 24.340 15.351 -2.267 1.00 1.54 H new ATOM 0 HG3 PRO A 60 23.646 16.496 -3.397 1.00 1.54 H new ATOM 0 HD2 PRO A 60 23.881 17.135 -0.791 1.00 1.30 H new ATOM 0 HD3 PRO A 60 22.486 17.671 -1.706 1.00 1.30 H new ATOM 840 N CYS A 61 20.806 13.014 -0.114 1.00 1.08 N ATOM 841 CA CYS A 61 20.675 11.722 0.524 1.00 1.13 C ATOM 842 C CYS A 61 19.915 10.823 -0.435 1.00 1.36 C ATOM 843 O CYS A 61 19.644 11.227 -1.566 1.00 1.54 O ATOM 844 CB CYS A 61 19.972 11.814 1.877 1.00 1.30 C ATOM 845 SG CYS A 61 18.164 11.685 1.782 1.00 1.59 S ATOM 0 H CYS A 61 19.975 13.591 0.012 1.00 1.08 H new ATOM 0 HA CYS A 61 21.663 11.312 0.736 1.00 1.13 H new ATOM 0 HB2 CYS A 61 20.349 11.022 2.525 1.00 1.30 H new ATOM 0 HB3 CYS A 61 20.234 12.762 2.347 1.00 1.30 H new ATOM 850 N GLY A 62 19.448 9.685 0.054 1.00 1.60 N ATOM 851 CA GLY A 62 18.584 8.855 -0.757 1.00 1.92 C ATOM 852 C GLY A 62 18.919 8.807 -2.233 1.00 2.10 C ATOM 853 O GLY A 62 20.015 9.153 -2.672 1.00 2.43 O ATOM 0 H GLY A 62 19.649 9.324 0.987 1.00 1.60 H new ATOM 0 HA2 GLY A 62 18.612 7.839 -0.363 1.00 1.92 H new ATOM 0 HA3 GLY A 62 17.560 9.211 -0.647 1.00 1.92 H new ATOM 857 N SER A 63 17.946 8.314 -2.967 1.00 2.43 N ATOM 858 CA SER A 63 18.008 8.113 -4.414 1.00 2.98 C ATOM 859 C SER A 63 17.646 9.384 -5.167 1.00 2.74 C ATOM 860 O SER A 63 16.878 9.373 -6.129 1.00 3.32 O ATOM 861 CB SER A 63 17.038 6.997 -4.819 1.00 3.86 C ATOM 862 OG SER A 63 17.728 5.832 -5.225 1.00 4.11 O ATOM 0 H SER A 63 17.053 8.029 -2.566 1.00 2.43 H new ATOM 0 HA SER A 63 19.031 7.838 -4.672 1.00 2.98 H new ATOM 0 HB2 SER A 63 16.384 6.760 -3.980 1.00 3.86 H new ATOM 0 HB3 SER A 63 16.400 7.345 -5.632 1.00 3.86 H new ATOM 0 HG SER A 63 17.081 5.139 -5.475 1.00 4.11 H new ATOM 868 N GLY A 64 18.267 10.498 -4.727 1.00 2.15 N ATOM 869 CA GLY A 64 18.066 11.791 -5.363 1.00 2.11 C ATOM 870 C GLY A 64 17.505 12.887 -4.451 1.00 1.92 C ATOM 871 O GLY A 64 17.109 13.944 -4.943 1.00 2.21 O ATOM 0 H GLY A 64 18.908 10.515 -3.934 1.00 2.15 H new ATOM 0 HA2 GLY A 64 19.019 12.131 -5.768 1.00 2.11 H new ATOM 0 HA3 GLY A 64 17.389 11.661 -6.207 1.00 2.11 H new ATOM 875 N GLY A 65 17.436 12.653 -3.141 1.00 1.62 N ATOM 876 CA GLY A 65 16.884 13.673 -2.256 1.00 1.62 C ATOM 877 C GLY A 65 17.906 14.435 -1.418 1.00 1.43 C ATOM 878 O GLY A 65 18.750 13.835 -0.771 1.00 1.62 O ATOM 0 H GLY A 65 17.744 11.796 -2.682 1.00 1.62 H new ATOM 0 HA2 GLY A 65 16.327 14.390 -2.859 1.00 1.62 H new ATOM 0 HA3 GLY A 65 16.169 13.198 -1.584 1.00 1.62 H new ATOM 882 N ARG A 66 17.785 15.768 -1.400 1.00 1.17 N ATOM 883 CA ARG A 66 18.655 16.628 -0.589 1.00 1.03 C ATOM 884 C ARG A 66 17.905 17.065 0.671 1.00 0.94 C ATOM 885 O ARG A 66 16.675 17.105 0.669 1.00 1.04 O ATOM 886 CB ARG A 66 19.175 17.853 -1.351 1.00 1.10 C ATOM 887 CG ARG A 66 18.087 18.822 -1.785 1.00 1.26 C ATOM 888 CD ARG A 66 17.502 18.462 -3.135 1.00 1.41 C ATOM 889 NE ARG A 66 16.064 18.704 -3.167 1.00 1.78 N ATOM 890 CZ ARG A 66 15.489 19.740 -3.784 1.00 2.30 C ATOM 891 NH1 ARG A 66 16.226 20.646 -4.417 1.00 2.55 N ATOM 892 NH2 ARG A 66 14.170 19.875 -3.761 1.00 3.02 N ATOM 0 H ARG A 66 17.087 16.277 -1.942 1.00 1.17 H new ATOM 0 HA ARG A 66 19.533 16.040 -0.322 1.00 1.03 H new ATOM 0 HB2 ARG A 66 19.889 18.383 -0.721 1.00 1.10 H new ATOM 0 HB3 ARG A 66 19.719 17.515 -2.233 1.00 1.10 H new ATOM 0 HG2 ARG A 66 17.293 18.832 -1.038 1.00 1.26 H new ATOM 0 HG3 ARG A 66 18.498 19.831 -1.827 1.00 1.26 H new ATOM 0 HD2 ARG A 66 17.990 19.048 -3.914 1.00 1.41 H new ATOM 0 HD3 ARG A 66 17.702 17.413 -3.353 1.00 1.41 H new ATOM 0 HE ARG A 66 15.458 18.039 -2.687 1.00 1.78 H new ATOM 0 HH11 ARG A 66 17.242 20.555 -4.435 1.00 2.55 H new ATOM 0 HH12 ARG A 66 15.776 21.433 -4.885 1.00 2.55 H new ATOM 0 HH21 ARG A 66 13.595 19.188 -3.273 1.00 3.02 H new ATOM 0 HH22 ARG A 66 13.730 20.666 -4.232 1.00 3.02 H new ATOM 906 N CYS A 67 18.619 17.387 1.756 1.00 0.87 N ATOM 907 CA CYS A 67 17.966 17.799 2.972 1.00 0.87 C ATOM 908 C CYS A 67 17.142 19.017 2.699 1.00 0.88 C ATOM 909 O CYS A 67 17.679 20.086 2.405 1.00 0.93 O ATOM 910 CB CYS A 67 18.969 18.125 4.084 1.00 0.93 C ATOM 911 SG CYS A 67 19.008 16.942 5.467 1.00 1.52 S ATOM 0 H CYS A 67 19.638 17.366 1.803 1.00 0.87 H new ATOM 0 HA CYS A 67 17.343 16.970 3.309 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.966 18.181 3.647 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.739 19.114 4.480 1.00 0.93 H new ATOM 916 N ALA A 68 15.851 18.887 2.833 1.00 0.91 N ATOM 917 CA ALA A 68 15.009 20.028 2.626 1.00 0.98 C ATOM 918 C ALA A 68 14.835 20.718 3.953 1.00 0.98 C ATOM 919 O ALA A 68 14.428 21.879 4.014 1.00 1.07 O ATOM 920 CB ALA A 68 13.677 19.640 2.008 1.00 0.98 C ATOM 0 H ALA A 68 15.369 18.022 3.079 1.00 0.91 H new ATOM 0 HA ALA A 68 15.475 20.710 1.915 1.00 0.98 H new ATOM 0 HB1 ALA A 68 13.068 20.533 1.867 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.849 19.162 1.044 1.00 0.98 H new ATOM 0 HB3 ALA A 68 13.157 18.947 2.669 1.00 0.98 H new ATOM 926 N ALA A 69 15.106 19.985 5.041 1.00 0.92 N ATOM 927 CA ALA A 69 14.930 20.507 6.395 1.00 0.96 C ATOM 928 C ALA A 69 15.661 19.594 7.396 1.00 0.92 C ATOM 929 O ALA A 69 16.001 18.456 7.069 1.00 0.87 O ATOM 930 CB ALA A 69 13.465 20.530 6.731 1.00 1.00 C ATOM 0 H ALA A 69 15.449 19.025 5.005 1.00 0.92 H new ATOM 0 HA ALA A 69 15.339 21.516 6.452 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.329 20.919 7.740 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.939 21.169 6.022 1.00 1.00 H new ATOM 0 HB3 ALA A 69 13.063 19.518 6.675 1.00 1.00 H new ATOM 936 N ALA A 70 15.903 20.090 8.606 1.00 0.98 N ATOM 937 CA ALA A 70 16.607 19.306 9.640 1.00 1.00 C ATOM 938 C ALA A 70 16.012 17.907 9.837 1.00 1.04 C ATOM 939 O ALA A 70 14.800 17.742 9.973 1.00 1.24 O ATOM 940 CB ALA A 70 16.635 20.042 10.980 1.00 1.15 C ATOM 0 H ALA A 70 15.627 21.026 8.903 1.00 0.98 H new ATOM 0 HA ALA A 70 17.626 19.186 9.273 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.161 19.435 11.717 1.00 1.15 H new ATOM 0 HB2 ALA A 70 17.150 20.995 10.861 1.00 1.15 H new ATOM 0 HB3 ALA A 70 15.614 20.220 11.318 1.00 1.15 H new ATOM 946 N GLY A 71 16.898 16.909 9.873 1.00 1.15 N ATOM 947 CA GLY A 71 16.513 15.517 10.076 1.00 1.27 C ATOM 948 C GLY A 71 15.678 14.904 8.955 1.00 1.21 C ATOM 949 O GLY A 71 15.692 13.687 8.761 1.00 1.28 O ATOM 0 H GLY A 71 17.902 17.047 9.762 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.417 14.921 10.201 1.00 1.27 H new ATOM 0 HA3 GLY A 71 15.951 15.444 11.007 1.00 1.27 H new ATOM 953 N ILE A 72 14.961 15.737 8.219 1.00 1.12 N ATOM 954 CA ILE A 72 14.112 15.285 7.125 1.00 1.08 C ATOM 955 C ILE A 72 14.769 15.536 5.757 1.00 1.03 C ATOM 956 O ILE A 72 15.133 16.668 5.396 1.00 1.36 O ATOM 957 CB ILE A 72 12.738 15.964 7.208 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.776 17.324 6.550 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.279 16.074 8.652 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.446 17.222 5.098 1.00 0.92 C ATOM 0 H ILE A 72 14.950 16.747 8.362 1.00 1.12 H new ATOM 0 HA ILE A 72 13.977 14.208 7.224 1.00 1.08 H new ATOM 0 HB ILE A 72 12.018 15.347 6.671 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.068 17.991 7.042 1.00 1.09 H new ATOM 0 HG13 ILE A 72 13.766 17.764 6.672 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.303 16.558 8.688 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.206 15.077 9.087 1.00 2.27 H new ATOM 0 HG23 ILE A 72 12.998 16.665 9.218 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.480 18.214 4.647 1.00 0.92 H new ATOM 0 HD12 ILE A 72 13.170 16.574 4.605 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.446 16.804 4.981 1.00 0.92 H new ATOM 972 N CYS A 73 14.930 14.468 5.004 1.00 0.82 N ATOM 973 CA CYS A 73 15.545 14.551 3.693 1.00 1.07 C ATOM 974 C CYS A 73 14.507 14.426 2.591 1.00 1.08 C ATOM 975 O CYS A 73 13.916 13.366 2.402 1.00 1.21 O ATOM 976 CB CYS A 73 16.589 13.466 3.549 1.00 1.19 C ATOM 977 SG CYS A 73 17.566 13.592 2.034 1.00 1.98 S ATOM 0 H CYS A 73 14.643 13.528 5.277 1.00 0.82 H new ATOM 0 HA CYS A 73 16.020 15.527 3.598 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.260 13.504 4.407 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.096 12.494 3.573 1.00 1.19 H new ATOM 982 N CYS A 74 14.268 15.510 1.873 1.00 0.98 N ATOM 983 CA CYS A 74 13.279 15.488 0.812 1.00 0.99 C ATOM 984 C CYS A 74 13.903 15.600 -0.569 1.00 1.15 C ATOM 985 O CYS A 74 14.883 16.312 -0.780 1.00 1.33 O ATOM 986 CB CYS A 74 12.244 16.588 1.027 1.00 1.13 C ATOM 987 SG CYS A 74 10.669 15.977 1.706 1.00 1.32 S ATOM 0 H CYS A 74 14.739 16.405 2.003 1.00 0.98 H new ATOM 0 HA CYS A 74 12.783 14.518 0.856 1.00 0.99 H new ATOM 0 HB2 CYS A 74 12.656 17.337 1.703 1.00 1.13 H new ATOM 0 HB3 CYS A 74 12.052 17.087 0.077 1.00 1.13 H new ATOM 992 N SER A 75 13.299 14.880 -1.504 1.00 1.14 N ATOM 993 CA SER A 75 13.738 14.861 -2.892 1.00 1.36 C ATOM 994 C SER A 75 12.675 15.537 -3.752 1.00 1.28 C ATOM 995 O SER A 75 11.638 15.951 -3.232 1.00 1.10 O ATOM 996 CB SER A 75 13.948 13.410 -3.337 1.00 1.46 C ATOM 997 OG SER A 75 12.713 12.720 -3.417 1.00 1.99 O ATOM 0 H SER A 75 12.487 14.290 -1.320 1.00 1.14 H new ATOM 0 HA SER A 75 14.680 15.398 -3.000 1.00 1.36 H new ATOM 0 HB2 SER A 75 14.443 13.392 -4.308 1.00 1.46 H new ATOM 0 HB3 SER A 75 14.608 12.902 -2.634 1.00 1.46 H new ATOM 0 HG SER A 75 12.872 11.797 -3.704 1.00 1.99 H new ATOM 1003 N PRO A 76 12.882 15.661 -5.074 1.00 1.46 N ATOM 1004 CA PRO A 76 11.892 16.285 -5.941 1.00 1.42 C ATOM 1005 C PRO A 76 10.770 15.316 -6.303 1.00 1.18 C ATOM 1006 O PRO A 76 10.090 15.484 -7.315 1.00 1.22 O ATOM 1007 CB PRO A 76 12.702 16.671 -7.172 1.00 1.74 C ATOM 1008 CG PRO A 76 13.785 15.648 -7.246 1.00 1.86 C ATOM 1009 CD PRO A 76 14.068 15.210 -5.828 1.00 1.77 C ATOM 0 HA PRO A 76 11.394 17.132 -5.470 1.00 1.42 H new ATOM 0 HB2 PRO A 76 12.086 16.662 -8.071 1.00 1.74 H new ATOM 0 HB3 PRO A 76 13.112 17.676 -7.077 1.00 1.74 H new ATOM 0 HG2 PRO A 76 13.476 14.801 -7.858 1.00 1.86 H new ATOM 0 HG3 PRO A 76 14.680 16.065 -7.708 1.00 1.86 H new ATOM 0 HD2 PRO A 76 14.197 14.130 -5.762 1.00 1.77 H new ATOM 0 HD3 PRO A 76 14.982 15.664 -5.444 1.00 1.77 H new ATOM 1017 N ASP A 77 10.587 14.298 -5.461 1.00 0.99 N ATOM 1018 CA ASP A 77 9.552 13.294 -5.667 1.00 0.91 C ATOM 1019 C ASP A 77 8.984 12.825 -4.324 1.00 0.82 C ATOM 1020 O ASP A 77 7.783 12.572 -4.210 1.00 0.90 O ATOM 1021 CB ASP A 77 10.112 12.108 -6.456 1.00 1.16 C ATOM 1022 CG ASP A 77 10.363 12.455 -7.911 1.00 1.92 C ATOM 1023 OD1 ASP A 77 9.378 12.649 -8.654 1.00 2.65 O ATOM 1024 OD2 ASP A 77 11.544 12.535 -8.308 1.00 2.50 O ATOM 0 H ASP A 77 11.150 14.150 -4.623 1.00 0.99 H new ATOM 0 HA ASP A 77 8.743 13.743 -6.243 1.00 0.91 H new ATOM 0 HB2 ASP A 77 11.044 11.776 -5.998 1.00 1.16 H new ATOM 0 HB3 ASP A 77 9.413 11.273 -6.399 1.00 1.16 H new ATOM 1029 N GLY A 78 9.850 12.717 -3.311 1.00 0.88 N ATOM 1030 CA GLY A 78 9.399 12.290 -2.000 1.00 0.87 C ATOM 1031 C GLY A 78 10.298 12.763 -0.869 1.00 0.86 C ATOM 1032 O GLY A 78 10.838 13.869 -0.909 1.00 0.99 O ATOM 0 H GLY A 78 10.848 12.917 -3.379 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.389 12.664 -1.832 1.00 0.87 H new ATOM 0 HA3 GLY A 78 9.344 11.202 -1.980 1.00 0.87 H new ATOM 1036 N CYS A 79 10.450 11.914 0.149 1.00 0.79 N ATOM 1037 CA CYS A 79 11.280 12.240 1.310 1.00 0.80 C ATOM 1038 C CYS A 79 11.862 10.974 1.949 1.00 0.78 C ATOM 1039 O CYS A 79 11.325 9.879 1.788 1.00 0.89 O ATOM 1040 CB CYS A 79 10.444 13.008 2.342 1.00 0.94 C ATOM 1041 SG CYS A 79 11.240 14.514 2.995 1.00 1.34 S ATOM 0 H CYS A 79 10.009 10.995 0.193 1.00 0.79 H new ATOM 0 HA CYS A 79 12.110 12.861 0.974 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.493 13.284 1.887 1.00 0.94 H new ATOM 0 HB3 CYS A 79 10.218 12.342 3.175 1.00 0.94 H new ATOM 1046 N HIS A 80 12.958 11.125 2.696 1.00 0.71 N ATOM 1047 CA HIS A 80 13.590 9.990 3.364 1.00 0.76 C ATOM 1048 C HIS A 80 14.214 10.434 4.683 1.00 0.70 C ATOM 1049 O HIS A 80 14.662 11.571 4.814 1.00 0.67 O ATOM 1050 CB HIS A 80 14.669 9.374 2.468 1.00 0.87 C ATOM 1051 CG HIS A 80 14.138 8.754 1.212 1.00 0.99 C ATOM 1052 ND1 HIS A 80 14.404 9.254 -0.046 1.00 1.64 N ATOM 1053 CD2 HIS A 80 13.365 7.660 1.023 1.00 1.76 C ATOM 1054 CE1 HIS A 80 13.818 8.493 -0.952 1.00 2.09 C ATOM 1055 NE2 HIS A 80 13.180 7.519 -0.332 1.00 2.17 N ATOM 0 H HIS A 80 13.423 12.019 2.852 1.00 0.71 H new ATOM 0 HA HIS A 80 12.824 9.241 3.564 1.00 0.76 H new ATOM 0 HB2 HIS A 80 15.391 10.147 2.203 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.208 8.615 3.035 1.00 0.87 H new ATOM 0 HD2 HIS A 80 12.967 7.017 1.794 1.00 1.76 H new ATOM 0 HE1 HIS A 80 13.855 8.643 -2.021 1.00 2.09 H new ATOM 0 HE2 HIS A 80 12.638 6.782 -0.784 1.00 2.17 H new ATOM 1064 N GLU A 81 14.235 9.536 5.662 1.00 0.75 N ATOM 1065 CA GLU A 81 14.810 9.853 6.962 1.00 0.77 C ATOM 1066 C GLU A 81 16.302 10.118 6.834 1.00 0.72 C ATOM 1067 O GLU A 81 17.017 9.367 6.171 1.00 0.92 O ATOM 1068 CB GLU A 81 14.573 8.708 7.947 1.00 0.94 C ATOM 1069 CG GLU A 81 13.112 8.310 8.085 1.00 1.70 C ATOM 1070 CD GLU A 81 12.902 6.815 7.955 1.00 2.35 C ATOM 1071 OE1 GLU A 81 13.167 6.270 6.865 1.00 2.71 O ATOM 1072 OE2 GLU A 81 12.472 6.188 8.946 1.00 3.05 O ATOM 0 H GLU A 81 13.863 8.590 5.580 1.00 0.75 H new ATOM 0 HA GLU A 81 14.321 10.751 7.339 1.00 0.77 H new ATOM 0 HB2 GLU A 81 15.148 7.839 7.625 1.00 0.94 H new ATOM 0 HB3 GLU A 81 14.955 8.998 8.926 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.738 8.643 9.053 1.00 1.70 H new ATOM 0 HG3 GLU A 81 12.526 8.823 7.323 1.00 1.70 H new ATOM 1079 N ASP A 82 16.771 11.190 7.465 1.00 0.76 N ATOM 1080 CA ASP A 82 18.187 11.537 7.412 1.00 0.77 C ATOM 1081 C ASP A 82 18.646 12.151 8.745 1.00 0.96 C ATOM 1082 O ASP A 82 18.144 13.195 9.155 1.00 1.21 O ATOM 1083 CB ASP A 82 18.436 12.485 6.229 1.00 0.86 C ATOM 1084 CG ASP A 82 18.366 13.955 6.603 1.00 1.34 C ATOM 1085 OD1 ASP A 82 19.355 14.474 7.163 1.00 1.82 O ATOM 1086 OD2 ASP A 82 17.323 14.588 6.336 1.00 2.02 O ATOM 0 H ASP A 82 16.197 11.829 8.015 1.00 0.76 H new ATOM 0 HA ASP A 82 18.778 10.634 7.258 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.417 12.273 5.805 1.00 0.86 H new ATOM 0 HB3 ASP A 82 17.701 12.281 5.450 1.00 0.86 H new ATOM 1091 N PRO A 83 19.596 11.500 9.454 1.00 1.15 N ATOM 1092 CA PRO A 83 20.095 11.977 10.748 1.00 1.42 C ATOM 1093 C PRO A 83 21.201 13.025 10.628 1.00 1.28 C ATOM 1094 O PRO A 83 21.612 13.617 11.627 1.00 1.40 O ATOM 1095 CB PRO A 83 20.654 10.706 11.413 1.00 1.81 C ATOM 1096 CG PRO A 83 20.504 9.598 10.413 1.00 1.93 C ATOM 1097 CD PRO A 83 20.244 10.240 9.080 1.00 1.42 C ATOM 0 HA PRO A 83 19.302 12.471 11.310 1.00 1.42 H new ATOM 0 HB2 PRO A 83 21.700 10.841 11.688 1.00 1.81 H new ATOM 0 HB3 PRO A 83 20.110 10.477 12.330 1.00 1.81 H new ATOM 0 HG2 PRO A 83 21.406 8.987 10.377 1.00 1.93 H new ATOM 0 HG3 PRO A 83 19.682 8.938 10.690 1.00 1.93 H new ATOM 0 HD2 PRO A 83 21.166 10.408 8.524 1.00 1.42 H new ATOM 0 HD3 PRO A 83 19.601 9.624 8.452 1.00 1.42 H new ATOM 1105 N ALA A 84 21.700 13.231 9.417 1.00 1.13 N ATOM 1106 CA ALA A 84 22.769 14.196 9.192 1.00 1.17 C ATOM 1107 C ALA A 84 22.310 15.631 9.442 1.00 1.20 C ATOM 1108 O ALA A 84 23.132 16.521 9.666 1.00 1.53 O ATOM 1109 CB ALA A 84 23.309 14.057 7.773 1.00 1.21 C ATOM 0 H ALA A 84 21.384 12.745 8.578 1.00 1.13 H new ATOM 0 HA ALA A 84 23.562 13.978 9.907 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.107 14.782 7.615 1.00 1.21 H new ATOM 0 HB2 ALA A 84 23.700 13.050 7.630 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.506 14.239 7.059 1.00 1.21 H new ATOM 1115 N CYS A 85 21.004 15.863 9.364 1.00 1.02 N ATOM 1116 CA CYS A 85 20.467 17.205 9.543 1.00 1.19 C ATOM 1117 C CYS A 85 19.865 17.446 10.945 1.00 1.46 C ATOM 1118 O CYS A 85 19.087 18.378 11.133 1.00 1.88 O ATOM 1119 CB CYS A 85 19.455 17.488 8.428 1.00 1.15 C ATOM 1120 SG CYS A 85 20.221 17.858 6.817 1.00 1.42 S ATOM 0 H CYS A 85 20.303 15.145 9.180 1.00 1.02 H new ATOM 0 HA CYS A 85 21.295 17.910 9.474 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.799 16.625 8.318 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.828 18.329 8.724 1.00 1.15 H new ATOM 1125 N ASP A 86 20.256 16.626 11.923 1.00 1.53 N ATOM 1126 CA ASP A 86 19.791 16.757 13.303 1.00 1.90 C ATOM 1127 C ASP A 86 20.355 18.001 13.965 1.00 1.82 C ATOM 1128 O ASP A 86 19.653 18.676 14.718 1.00 2.29 O ATOM 1129 CB ASP A 86 20.169 15.513 14.108 1.00 2.43 C ATOM 1130 CG ASP A 86 19.083 14.456 14.080 1.00 3.07 C ATOM 1131 OD1 ASP A 86 18.126 14.567 14.874 1.00 3.60 O ATOM 1132 OD2 ASP A 86 19.191 13.516 13.265 1.00 3.47 O ATOM 0 H ASP A 86 20.905 15.852 11.779 1.00 1.53 H new ATOM 0 HA ASP A 86 18.706 16.854 13.281 1.00 1.90 H new ATOM 0 HB2 ASP A 86 21.092 15.092 13.710 1.00 2.43 H new ATOM 0 HB3 ASP A 86 20.368 15.798 15.141 1.00 2.43 H new ATOM 1363 N CYS B 110 -2.676 0.093 16.202 1.00 2.52 N ATOM 1364 CA CYS B 110 -2.582 1.215 15.295 1.00 1.89 C ATOM 1365 C CYS B 110 -2.205 2.482 16.059 1.00 1.69 C ATOM 1366 O CYS B 110 -2.988 3.431 16.118 1.00 1.94 O ATOM 1367 CB CYS B 110 -3.880 1.393 14.511 1.00 2.23 C ATOM 1368 SG CYS B 110 -3.916 0.477 12.925 1.00 2.61 S ATOM 0 HA CYS B 110 -1.793 1.014 14.570 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -4.715 1.064 15.129 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -4.030 2.454 14.311 1.00 2.23 H new ATOM 0 HG CYS B 110 -5.053 0.684 12.330 1.00 2.61 H new ATOM 1373 N LEU B 111 -0.991 2.505 16.611 1.00 1.46 N ATOM 1374 CA LEU B 111 -0.478 3.667 17.351 1.00 1.37 C ATOM 1375 C LEU B 111 -0.960 4.984 16.746 1.00 1.20 C ATOM 1376 O LEU B 111 -0.596 5.303 15.624 1.00 1.18 O ATOM 1377 CB LEU B 111 1.046 3.637 17.425 1.00 1.54 C ATOM 1378 CG LEU B 111 1.613 2.902 18.644 1.00 1.90 C ATOM 1379 CD1 LEU B 111 1.198 3.597 19.935 1.00 2.47 C ATOM 1380 CD2 LEU B 111 1.161 1.448 18.652 1.00 2.26 C ATOM 0 H LEU B 111 -0.336 1.725 16.560 1.00 1.46 H new ATOM 0 HA LEU B 111 -0.876 3.605 18.364 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.431 3.164 16.521 1.00 1.54 H new ATOM 0 HB3 LEU B 111 1.416 4.662 17.431 1.00 1.54 H new ATOM 0 HG LEU B 111 2.701 2.924 18.578 1.00 1.90 H new ATOM 0 HD11 LEU B 111 1.612 3.058 20.787 1.00 2.47 H new ATOM 0 HD12 LEU B 111 1.575 4.620 19.935 1.00 2.47 H new ATOM 0 HD13 LEU B 111 0.110 3.611 20.007 1.00 2.47 H new ATOM 0 HD21 LEU B 111 1.574 0.943 19.525 1.00 2.26 H new ATOM 0 HD22 LEU B 111 0.072 1.406 18.690 1.00 2.26 H new ATOM 0 HD23 LEU B 111 1.512 0.953 17.747 1.00 2.26 H new ATOM 1392 N PRO B 112 -1.786 5.764 17.462 1.00 1.19 N ATOM 1393 CA PRO B 112 -2.307 7.032 16.950 1.00 1.12 C ATOM 1394 C PRO B 112 -1.403 8.235 17.234 1.00 1.03 C ATOM 1395 O PRO B 112 -1.227 8.621 18.391 1.00 1.06 O ATOM 1396 CB PRO B 112 -3.620 7.166 17.710 1.00 1.30 C ATOM 1397 CG PRO B 112 -3.368 6.515 19.031 1.00 1.47 C ATOM 1398 CD PRO B 112 -2.296 5.471 18.812 1.00 1.37 C ATOM 0 HA PRO B 112 -2.395 7.025 15.864 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -3.901 8.212 17.832 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -4.436 6.677 17.178 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -3.045 7.250 19.768 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -4.279 6.057 19.415 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -1.508 5.545 19.561 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -2.703 4.462 18.875 1.00 1.37 H new ATOM 1406 N CYS B 113 -0.855 8.851 16.176 1.00 0.94 N ATOM 1407 CA CYS B 113 -0.006 10.020 16.351 1.00 0.90 C ATOM 1408 C CYS B 113 -0.630 11.249 15.677 1.00 0.91 C ATOM 1409 O CYS B 113 -1.840 11.336 15.490 1.00 1.00 O ATOM 1410 CB CYS B 113 1.411 9.735 15.846 1.00 0.83 C ATOM 1411 SG CYS B 113 1.598 9.749 14.036 1.00 0.87 S ATOM 0 H CYS B 113 -0.986 8.559 15.208 1.00 0.94 H new ATOM 0 HA CYS B 113 0.071 10.245 17.415 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.088 10.475 16.272 1.00 0.83 H new ATOM 0 HB3 CYS B 113 1.726 8.761 16.221 1.00 0.83 H new ATOM 1416 N GLY B 114 0.226 12.191 15.295 1.00 0.92 N ATOM 1417 CA GLY B 114 -0.226 13.399 14.634 1.00 0.99 C ATOM 1418 C GLY B 114 -0.794 14.389 15.607 1.00 1.11 C ATOM 1419 O GLY B 114 -0.572 14.250 16.810 1.00 1.16 O ATOM 0 H GLY B 114 1.235 12.137 15.434 1.00 0.92 H new ATOM 0 HA2 GLY B 114 0.607 13.853 14.098 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -0.982 13.145 13.891 1.00 0.99 H new ATOM 1423 N PRO B 115 -1.497 15.435 15.150 1.00 1.19 N ATOM 1424 CA PRO B 115 -2.011 16.425 16.082 1.00 1.33 C ATOM 1425 C PRO B 115 -3.051 15.892 17.052 1.00 1.40 C ATOM 1426 O PRO B 115 -4.263 15.969 16.844 1.00 1.57 O ATOM 1427 CB PRO B 115 -2.680 17.415 15.133 1.00 1.46 C ATOM 1428 CG PRO B 115 -3.095 16.499 14.068 1.00 1.39 C ATOM 1429 CD PRO B 115 -1.846 15.751 13.781 1.00 1.21 C ATOM 0 HA PRO B 115 -1.222 16.818 16.723 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -3.523 17.930 15.593 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -1.993 18.183 14.779 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -3.898 15.838 14.392 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -3.458 17.035 13.191 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -2.009 14.866 13.166 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -1.092 16.355 13.276 1.00 1.21 H new ATOM 1437 N GLY B 116 -2.505 15.306 18.063 1.00 1.35 N ATOM 1438 CA GLY B 116 -3.265 14.663 19.091 1.00 1.48 C ATOM 1439 C GLY B 116 -3.580 13.212 18.856 1.00 1.44 C ATOM 1440 O GLY B 116 -4.239 12.597 19.697 1.00 1.70 O ATOM 0 H GLY B 116 -1.496 15.257 18.205 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -2.719 14.750 20.030 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -4.203 15.204 19.217 1.00 1.48 H new ATOM 1444 N GLY B 117 -3.035 12.594 17.815 1.00 1.29 N ATOM 1445 CA GLY B 117 -3.228 11.177 17.685 1.00 1.26 C ATOM 1446 C GLY B 117 -4.384 10.700 16.847 1.00 1.26 C ATOM 1447 O GLY B 117 -5.070 9.735 17.184 1.00 1.38 O ATOM 0 H GLY B 117 -2.481 13.038 17.083 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -2.315 10.751 17.269 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -3.346 10.762 18.686 1.00 1.26 H new ATOM 1451 N LYS B 118 -4.563 11.378 15.707 1.00 1.19 N ATOM 1452 CA LYS B 118 -5.599 11.035 14.737 1.00 1.25 C ATOM 1453 C LYS B 118 -5.106 10.082 13.637 1.00 1.15 C ATOM 1454 O LYS B 118 -5.930 9.479 12.946 1.00 1.25 O ATOM 1455 CB LYS B 118 -6.166 12.289 14.082 1.00 1.30 C ATOM 1456 CG LYS B 118 -6.126 13.515 14.973 1.00 1.36 C ATOM 1457 CD LYS B 118 -7.519 14.064 15.220 1.00 1.78 C ATOM 1458 CE LYS B 118 -7.807 15.280 14.352 1.00 1.95 C ATOM 1459 NZ LYS B 118 -8.400 14.904 13.036 1.00 2.54 N ATOM 0 H LYS B 118 -3.992 12.178 15.435 1.00 1.19 H new ATOM 0 HA LYS B 118 -6.374 10.520 15.304 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -5.607 12.496 13.170 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -7.198 12.099 13.787 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -5.659 13.260 15.925 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.507 14.283 14.510 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -8.257 13.288 15.016 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -7.623 14.334 16.271 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -8.489 15.947 14.879 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -6.883 15.834 14.187 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -8.580 15.763 12.478 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -7.739 14.288 12.521 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -9.295 14.398 13.191 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.781 9.913 13.464 1.00 1.04 N ATOM 1474 CA GLY B 119 -3.259 8.998 12.452 1.00 0.97 C ATOM 1475 C GLY B 119 -2.381 7.971 13.140 1.00 0.93 C ATOM 1476 O GLY B 119 -2.344 7.976 14.364 1.00 1.02 O ATOM 0 H GLY B 119 -3.066 10.396 14.009 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -4.078 8.506 11.928 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.686 9.547 11.705 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.621 7.117 12.434 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.755 6.153 13.117 1.00 0.87 C ATOM 1482 C ARG B 120 0.723 6.511 12.910 1.00 0.80 C ATOM 1483 O ARG B 120 1.042 7.410 12.134 1.00 0.79 O ATOM 1484 CB ARG B 120 -1.018 4.726 12.612 1.00 0.95 C ATOM 1485 CG ARG B 120 -2.474 4.294 12.695 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.263 4.777 11.491 1.00 1.60 C ATOM 1487 NE ARG B 120 -4.544 4.085 11.365 1.00 1.82 N ATOM 1488 CZ ARG B 120 -5.644 4.642 10.864 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -5.626 5.896 10.424 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -6.766 3.940 10.799 1.00 2.89 N ATOM 0 H ARG B 120 -1.590 7.077 11.415 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.985 6.196 14.182 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -0.687 4.652 11.576 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.411 4.030 13.191 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -2.530 3.207 12.757 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -2.921 4.689 13.607 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -3.437 5.850 11.578 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -2.676 4.621 10.586 1.00 1.60 H new ATOM 0 HE ARG B 120 -4.598 3.116 11.680 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -4.764 6.440 10.469 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -6.474 6.315 10.042 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -6.785 2.976 11.132 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -7.611 4.363 10.416 1.00 2.89 H new ATOM 1504 N CYS B 121 1.625 5.802 13.599 1.00 0.82 N ATOM 1505 CA CYS B 121 3.066 6.057 13.470 1.00 0.81 C ATOM 1506 C CYS B 121 3.735 4.927 12.693 1.00 0.85 C ATOM 1507 O CYS B 121 3.468 3.752 12.944 1.00 1.05 O ATOM 1508 CB CYS B 121 3.732 6.158 14.852 1.00 0.91 C ATOM 1509 SG CYS B 121 4.305 7.824 15.308 1.00 1.07 S ATOM 0 H CYS B 121 1.386 5.052 14.248 1.00 0.82 H new ATOM 0 HA CYS B 121 3.188 7.001 12.939 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.024 5.814 15.606 1.00 0.91 H new ATOM 0 HB3 CYS B 121 4.583 5.477 14.880 1.00 0.91 H new ATOM 1514 N PHE B 122 4.612 5.285 11.754 1.00 0.76 N ATOM 1515 CA PHE B 122 5.314 4.279 10.952 1.00 0.84 C ATOM 1516 C PHE B 122 6.797 4.256 11.301 1.00 0.95 C ATOM 1517 O PHE B 122 7.289 3.303 11.904 1.00 1.44 O ATOM 1518 CB PHE B 122 5.117 4.559 9.461 1.00 0.86 C ATOM 1519 CG PHE B 122 3.681 4.448 9.043 1.00 0.86 C ATOM 1520 CD1 PHE B 122 2.832 5.539 9.141 1.00 1.41 C ATOM 1521 CD2 PHE B 122 3.171 3.244 8.582 1.00 1.42 C ATOM 1522 CE1 PHE B 122 1.502 5.431 8.783 1.00 1.53 C ATOM 1523 CE2 PHE B 122 1.840 3.130 8.227 1.00 1.50 C ATOM 1524 CZ PHE B 122 1.004 4.226 8.327 1.00 1.15 C ATOM 0 H PHE B 122 4.852 6.251 11.531 1.00 0.76 H new ATOM 0 HA PHE B 122 4.895 3.299 11.180 1.00 0.84 H new ATOM 0 HB2 PHE B 122 5.483 5.559 9.231 1.00 0.86 H new ATOM 0 HB3 PHE B 122 5.717 3.858 8.880 1.00 0.86 H new ATOM 0 HD1 PHE B 122 3.214 6.483 9.501 1.00 1.41 H new ATOM 0 HD2 PHE B 122 3.821 2.385 8.499 1.00 1.42 H new ATOM 0 HE1 PHE B 122 0.851 6.289 8.860 1.00 1.53 H new ATOM 0 HE2 PHE B 122 1.454 2.186 7.872 1.00 1.50 H new ATOM 0 HZ PHE B 122 -0.036 4.140 8.049 1.00 1.15 H new ATOM 1534 N GLY B 123 7.498 5.321 10.937 1.00 0.84 N ATOM 1535 CA GLY B 123 8.911 5.416 11.238 1.00 0.89 C ATOM 1536 C GLY B 123 9.165 6.414 12.348 1.00 0.89 C ATOM 1537 O GLY B 123 8.290 6.640 13.180 1.00 0.90 O ATOM 0 H GLY B 123 7.112 6.122 10.438 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.290 4.437 11.531 1.00 0.89 H new ATOM 0 HA3 GLY B 123 9.457 5.715 10.344 1.00 0.89 H new ATOM 1541 N PRO B 124 10.352 7.031 12.398 1.00 1.02 N ATOM 1542 CA PRO B 124 10.680 8.005 13.425 1.00 1.08 C ATOM 1543 C PRO B 124 10.268 9.425 13.027 1.00 0.96 C ATOM 1544 O PRO B 124 9.588 10.116 13.785 1.00 1.02 O ATOM 1545 CB PRO B 124 12.205 7.895 13.543 1.00 1.33 C ATOM 1546 CG PRO B 124 12.677 7.170 12.311 1.00 1.51 C ATOM 1547 CD PRO B 124 11.467 6.833 11.473 1.00 1.26 C ATOM 0 HA PRO B 124 10.155 7.810 14.360 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.661 8.883 13.611 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.486 7.351 14.445 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.370 7.792 11.745 1.00 1.51 H new ATOM 0 HG3 PRO B 124 13.215 6.262 12.586 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.387 7.483 10.602 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.506 5.808 11.104 1.00 1.26 H new ATOM 1555 N SER B 125 10.678 9.850 11.831 1.00 0.97 N ATOM 1556 CA SER B 125 10.339 11.182 11.330 1.00 0.92 C ATOM 1557 C SER B 125 9.152 11.105 10.382 1.00 0.76 C ATOM 1558 O SER B 125 9.048 11.902 9.460 1.00 0.78 O ATOM 1559 CB SER B 125 11.541 11.816 10.593 1.00 1.12 C ATOM 1560 OG SER B 125 12.336 12.591 11.479 1.00 1.25 O ATOM 0 H SER B 125 11.244 9.292 11.192 1.00 0.97 H new ATOM 0 HA SER B 125 10.080 11.805 12.186 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.151 11.032 10.145 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.181 12.445 9.779 1.00 1.12 H new ATOM 0 HG SER B 125 13.090 12.979 10.988 1.00 1.25 H new ATOM 1566 N ILE B 126 8.265 10.131 10.587 1.00 0.70 N ATOM 1567 CA ILE B 126 7.120 9.977 9.707 1.00 0.60 C ATOM 1568 C ILE B 126 5.822 9.661 10.458 1.00 0.57 C ATOM 1569 O ILE B 126 5.673 8.592 11.071 1.00 0.74 O ATOM 1570 CB ILE B 126 7.396 8.884 8.660 1.00 0.60 C ATOM 1571 CG1 ILE B 126 8.612 9.264 7.816 1.00 0.79 C ATOM 1572 CG2 ILE B 126 6.181 8.665 7.776 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.491 8.083 7.454 1.00 0.85 C ATOM 0 H ILE B 126 8.320 9.450 11.344 1.00 0.70 H new ATOM 0 HA ILE B 126 6.977 10.939 9.214 1.00 0.60 H new ATOM 0 HB ILE B 126 7.607 7.950 9.180 1.00 0.60 H new ATOM 0 HG12 ILE B 126 8.272 9.747 6.900 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.208 9.996 8.361 1.00 0.79 H new ATOM 0 HG21 ILE B 126 6.399 7.888 7.043 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.335 8.357 8.390 1.00 0.72 H new ATOM 0 HG23 ILE B 126 5.935 9.593 7.259 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.334 8.427 6.855 1.00 0.85 H new ATOM 0 HD12 ILE B 126 9.861 7.612 8.365 1.00 0.85 H new ATOM 0 HD13 ILE B 126 8.911 7.359 6.882 1.00 0.85 H new ATOM 1585 N CYS B 127 4.873 10.596 10.368 1.00 0.54 N ATOM 1586 CA CYS B 127 3.565 10.444 10.999 1.00 0.53 C ATOM 1587 C CYS B 127 2.459 10.752 9.999 1.00 0.53 C ATOM 1588 O CYS B 127 2.446 11.801 9.367 1.00 0.56 O ATOM 1589 CB CYS B 127 3.427 11.352 12.213 1.00 0.56 C ATOM 1590 SG CYS B 127 3.479 10.469 13.794 1.00 0.89 S ATOM 0 H CYS B 127 4.990 11.472 9.859 1.00 0.54 H new ATOM 0 HA CYS B 127 3.475 9.410 11.333 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.227 12.093 12.194 1.00 0.56 H new ATOM 0 HB3 CYS B 127 2.486 11.897 12.142 1.00 0.56 H new ATOM 1595 N CYS B 128 1.559 9.803 9.849 1.00 0.53 N ATOM 1596 CA CYS B 128 0.453 9.890 8.917 1.00 0.56 C ATOM 1597 C CYS B 128 -0.932 9.877 9.605 1.00 0.60 C ATOM 1598 O CYS B 128 -1.091 9.421 10.737 1.00 0.76 O ATOM 1599 CB CYS B 128 0.467 8.685 7.971 1.00 0.63 C ATOM 1600 SG CYS B 128 1.806 8.577 6.733 1.00 1.23 S ATOM 0 H CYS B 128 1.575 8.933 10.381 1.00 0.53 H new ATOM 0 HA CYS B 128 0.589 10.837 8.396 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.504 7.783 8.581 1.00 0.63 H new ATOM 0 HB3 CYS B 128 -0.483 8.670 7.437 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.933 10.329 8.806 1.00 0.60 N ATOM 1606 CA GLY B 129 -3.311 10.344 9.185 1.00 0.65 C ATOM 1607 C GLY B 129 -4.155 10.072 7.954 1.00 0.66 C ATOM 1608 O GLY B 129 -3.629 9.979 6.852 1.00 0.64 O ATOM 0 H GLY B 129 -1.768 10.694 7.868 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -3.502 9.590 9.948 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.574 11.309 9.618 1.00 0.65 H new ATOM 1612 N ASP B 130 -5.446 9.977 8.124 1.00 0.72 N ATOM 1613 CA ASP B 130 -6.356 9.726 7.024 1.00 0.76 C ATOM 1614 C ASP B 130 -6.368 10.900 6.079 1.00 0.77 C ATOM 1615 O ASP B 130 -6.127 10.773 4.880 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.767 9.459 7.539 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.638 8.787 6.496 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -9.095 9.484 5.565 1.00 2.35 O ATOM 1619 OD2 ASP B 130 -8.861 7.564 6.608 1.00 1.96 O ATOM 0 H ASP B 130 -5.904 10.071 9.030 1.00 0.72 H new ATOM 0 HA ASP B 130 -6.009 8.842 6.490 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.715 8.829 8.427 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -8.226 10.400 7.842 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.609 12.041 6.664 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.613 13.275 5.954 1.00 0.85 C ATOM 1626 C GLU B 131 -5.606 14.192 6.604 1.00 0.89 C ATOM 1627 O GLU B 131 -5.734 15.418 6.590 1.00 1.03 O ATOM 1628 CB GLU B 131 -8.010 13.899 6.086 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.697 13.603 7.424 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.205 13.507 7.320 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.696 12.771 6.440 1.00 1.63 O ATOM 1632 OE2 GLU B 131 -10.899 14.164 8.128 1.00 1.69 O ATOM 0 H GLU B 131 -6.810 12.133 7.660 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.365 13.123 4.904 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.928 14.979 5.961 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.640 13.531 5.276 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.308 12.667 7.824 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.439 14.386 8.137 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.594 13.567 7.146 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.562 14.243 7.821 1.00 0.89 C ATOM 1641 C LEU B 132 -2.299 13.872 7.124 1.00 0.83 C ATOM 1642 O LEU B 132 -1.261 14.504 7.287 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.580 13.771 9.262 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.764 14.865 10.307 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.740 14.267 11.702 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.701 15.941 10.145 1.00 1.38 C ATOM 0 H LEU B 132 -4.479 12.554 7.120 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.669 15.328 7.819 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -4.383 13.043 9.378 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.645 13.250 9.467 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.736 15.336 10.159 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.872 15.059 12.440 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.547 13.541 11.800 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.784 13.772 11.869 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.848 16.714 10.899 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.713 15.498 10.267 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.780 16.384 9.152 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.435 12.870 6.261 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.347 12.464 5.464 1.00 0.70 C ATOM 1660 C GLY B 133 -0.130 12.134 6.283 1.00 0.66 C ATOM 1661 O GLY B 133 -0.227 11.338 7.200 1.00 0.65 O ATOM 0 H GLY B 133 -3.296 12.343 6.116 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.635 11.591 4.878 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.102 13.256 4.757 1.00 0.70 H new ATOM 1665 N CYS B 134 1.016 12.734 5.992 1.00 0.69 N ATOM 1666 CA CYS B 134 2.191 12.419 6.773 1.00 0.68 C ATOM 1667 C CYS B 134 3.125 13.560 6.996 1.00 0.64 C ATOM 1668 O CYS B 134 3.729 14.084 6.060 1.00 0.62 O ATOM 1669 CB CYS B 134 2.967 11.290 6.142 1.00 0.72 C ATOM 1670 SG CYS B 134 3.244 9.894 7.272 1.00 1.08 S ATOM 0 H CYS B 134 1.151 13.417 5.247 1.00 0.69 H new ATOM 0 HA CYS B 134 1.796 12.136 7.749 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.430 10.936 5.262 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.930 11.667 5.798 1.00 0.72 H new ATOM 1675 N PHE B 135 3.333 13.865 8.265 1.00 0.67 N ATOM 1676 CA PHE B 135 4.301 14.865 8.607 1.00 0.66 C ATOM 1677 C PHE B 135 5.580 14.086 8.647 1.00 0.64 C ATOM 1678 O PHE B 135 5.797 13.305 9.576 1.00 0.64 O ATOM 1679 CB PHE B 135 4.043 15.506 9.987 1.00 0.70 C ATOM 1680 CG PHE B 135 2.663 15.276 10.526 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.285 14.022 10.959 1.00 0.96 C ATOM 1682 CD2 PHE B 135 1.744 16.306 10.578 1.00 1.15 C ATOM 1683 CE1 PHE B 135 1.012 13.789 11.432 1.00 1.19 C ATOM 1684 CE2 PHE B 135 0.468 16.084 11.055 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.102 14.822 11.481 1.00 1.23 C ATOM 0 H PHE B 135 2.849 13.438 9.055 1.00 0.67 H new ATOM 0 HA PHE B 135 4.289 15.695 7.901 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.769 15.112 10.699 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.218 16.579 9.914 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.997 13.211 10.927 1.00 0.96 H new ATOM 0 HD2 PHE B 135 2.026 17.293 10.243 1.00 1.15 H new ATOM 0 HE1 PHE B 135 0.729 12.801 11.763 1.00 1.19 H new ATOM 0 HE2 PHE B 135 -0.243 16.896 11.095 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.897 14.645 11.852 1.00 1.23 H new ATOM 1695 N VAL B 136 6.419 14.252 7.659 1.00 0.66 N ATOM 1696 CA VAL B 136 7.628 13.494 7.654 1.00 0.68 C ATOM 1697 C VAL B 136 8.707 14.308 8.327 1.00 0.71 C ATOM 1698 O VAL B 136 9.483 15.037 7.703 1.00 0.74 O ATOM 1699 CB VAL B 136 8.013 13.027 6.234 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.038 11.904 6.307 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.761 12.561 5.471 1.00 0.74 C ATOM 0 H VAL B 136 6.289 14.887 6.872 1.00 0.66 H new ATOM 0 HA VAL B 136 7.488 12.572 8.219 1.00 0.68 H new ATOM 0 HB VAL B 136 8.456 13.866 5.698 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.300 11.585 5.298 1.00 0.75 H new ATOM 0 HG12 VAL B 136 9.932 12.260 6.819 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.617 11.062 6.856 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.045 12.234 4.471 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.297 11.732 6.005 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.053 13.386 5.395 1.00 0.74 H new ATOM 1711 N GLY B 137 8.706 14.161 9.645 1.00 0.72 N ATOM 1712 CA GLY B 137 9.662 14.855 10.494 1.00 0.76 C ATOM 1713 C GLY B 137 9.136 16.154 11.097 1.00 0.73 C ATOM 1714 O GLY B 137 9.502 17.244 10.658 1.00 0.83 O ATOM 0 H GLY B 137 8.051 13.565 10.150 1.00 0.72 H new ATOM 0 HA2 GLY B 137 9.964 14.189 11.302 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.556 15.074 9.911 1.00 0.76 H new ATOM 1718 N THR B 138 8.297 16.026 12.122 1.00 0.69 N ATOM 1719 CA THR B 138 7.723 17.175 12.829 1.00 0.70 C ATOM 1720 C THR B 138 7.350 16.734 14.244 1.00 0.73 C ATOM 1721 O THR B 138 7.476 15.551 14.559 1.00 0.77 O ATOM 1722 CB THR B 138 6.474 17.699 12.110 1.00 0.73 C ATOM 1723 OG1 THR B 138 5.433 16.740 12.152 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.701 18.062 10.657 1.00 0.77 C ATOM 0 H THR B 138 7.994 15.124 12.488 1.00 0.69 H new ATOM 0 HA THR B 138 8.458 17.980 12.857 1.00 0.70 H new ATOM 0 HB THR B 138 6.206 18.609 12.648 1.00 0.73 H new ATOM 0 HG1 THR B 138 4.578 17.192 12.308 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.769 18.423 10.222 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.459 18.843 10.591 1.00 0.77 H new ATOM 0 HG23 THR B 138 7.039 17.181 10.110 1.00 0.77 H new ATOM 1732 N ALA B 139 6.873 17.639 15.106 1.00 0.79 N ATOM 1733 CA ALA B 139 6.484 17.249 16.450 1.00 0.88 C ATOM 1734 C ALA B 139 5.241 16.373 16.402 1.00 0.83 C ATOM 1735 O ALA B 139 4.893 15.719 17.371 1.00 0.87 O ATOM 1736 CB ALA B 139 6.240 18.480 17.311 1.00 1.04 C ATOM 0 H ALA B 139 6.751 18.629 14.894 1.00 0.79 H new ATOM 0 HA ALA B 139 7.296 16.675 16.897 1.00 0.88 H new ATOM 0 HB1 ALA B 139 5.949 18.170 18.315 1.00 1.04 H new ATOM 0 HB2 ALA B 139 7.153 19.073 17.364 1.00 1.04 H new ATOM 0 HB3 ALA B 139 5.443 19.079 16.871 1.00 1.04 H new ATOM 1742 N GLU B 140 4.581 16.324 15.255 1.00 0.79 N ATOM 1743 CA GLU B 140 3.418 15.469 15.121 1.00 0.79 C ATOM 1744 C GLU B 140 3.871 14.011 15.240 1.00 0.73 C ATOM 1745 O GLU B 140 3.068 13.109 15.474 1.00 0.79 O ATOM 1746 CB GLU B 140 2.720 15.720 13.781 1.00 0.83 C ATOM 1747 CG GLU B 140 1.766 16.904 13.813 1.00 1.27 C ATOM 1748 CD GLU B 140 2.226 18.056 12.939 1.00 1.55 C ATOM 1749 OE1 GLU B 140 3.393 18.478 13.079 1.00 2.31 O ATOM 1750 OE2 GLU B 140 1.418 18.538 12.118 1.00 1.90 O ATOM 0 H GLU B 140 4.826 16.856 14.420 1.00 0.79 H new ATOM 0 HA GLU B 140 2.699 15.691 15.910 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.474 15.890 13.013 1.00 0.83 H new ATOM 0 HB3 GLU B 140 2.168 14.825 13.493 1.00 0.83 H new ATOM 0 HG2 GLU B 140 0.779 16.578 13.486 1.00 1.27 H new ATOM 0 HG3 GLU B 140 1.662 17.253 14.840 1.00 1.27 H new ATOM 1757 N ALA B 141 5.182 13.811 15.067 1.00 0.69 N ATOM 1758 CA ALA B 141 5.789 12.492 15.133 1.00 0.70 C ATOM 1759 C ALA B 141 6.718 12.319 16.340 1.00 0.77 C ATOM 1760 O ALA B 141 7.159 11.220 16.616 1.00 0.87 O ATOM 1761 CB ALA B 141 6.543 12.213 13.840 1.00 0.75 C ATOM 0 H ALA B 141 5.845 14.563 14.878 1.00 0.69 H new ATOM 0 HA ALA B 141 4.982 11.770 15.260 1.00 0.70 H new ATOM 0 HB1 ALA B 141 6.998 11.224 13.890 1.00 0.75 H new ATOM 0 HB2 ALA B 141 5.850 12.252 12.999 1.00 0.75 H new ATOM 0 HB3 ALA B 141 7.321 12.964 13.703 1.00 0.75 H new ATOM 1767 N LEU B 142 7.078 13.392 17.026 1.00 0.80 N ATOM 1768 CA LEU B 142 8.003 13.266 18.135 1.00 0.93 C ATOM 1769 C LEU B 142 7.553 12.235 19.187 1.00 1.06 C ATOM 1770 O LEU B 142 8.382 11.696 19.920 1.00 1.24 O ATOM 1771 CB LEU B 142 8.317 14.641 18.671 1.00 0.97 C ATOM 1772 CG LEU B 142 7.368 15.285 19.674 1.00 1.01 C ATOM 1773 CD1 LEU B 142 5.941 14.829 19.495 1.00 1.11 C ATOM 1774 CD2 LEU B 142 7.852 15.063 21.100 1.00 1.14 C ATOM 0 H LEU B 142 6.751 14.340 16.839 1.00 0.80 H new ATOM 0 HA LEU B 142 8.941 12.839 17.780 1.00 0.93 H new ATOM 0 HB2 LEU B 142 9.302 14.594 19.135 1.00 0.97 H new ATOM 0 HB3 LEU B 142 8.398 15.314 17.818 1.00 0.97 H new ATOM 0 HG LEU B 142 7.374 16.357 19.477 1.00 1.01 H new ATOM 0 HD11 LEU B 142 5.307 15.318 20.235 1.00 1.11 H new ATOM 0 HD12 LEU B 142 5.598 15.091 18.494 1.00 1.11 H new ATOM 0 HD13 LEU B 142 5.885 13.748 19.627 1.00 1.11 H new ATOM 0 HD21 LEU B 142 7.158 15.532 21.797 1.00 1.14 H new ATOM 0 HD22 LEU B 142 7.904 13.994 21.304 1.00 1.14 H new ATOM 0 HD23 LEU B 142 8.841 15.504 21.221 1.00 1.14 H new ATOM 1786 N ARG B 143 6.260 11.891 19.191 1.00 1.06 N ATOM 1787 CA ARG B 143 5.748 10.835 20.080 1.00 1.26 C ATOM 1788 C ARG B 143 6.072 9.492 19.406 1.00 1.27 C ATOM 1789 O ARG B 143 5.979 8.410 19.988 1.00 1.49 O ATOM 1790 CB ARG B 143 4.232 10.975 20.268 1.00 1.35 C ATOM 1791 CG ARG B 143 3.462 11.092 18.961 1.00 1.36 C ATOM 1792 CD ARG B 143 1.967 11.223 19.205 1.00 1.50 C ATOM 1793 NE ARG B 143 1.410 10.035 19.848 1.00 1.90 N ATOM 1794 CZ ARG B 143 1.070 9.968 21.136 1.00 2.20 C ATOM 1795 NH1 ARG B 143 1.224 11.019 21.934 1.00 2.36 N ATOM 1796 NH2 ARG B 143 0.572 8.842 21.629 1.00 2.93 N ATOM 0 H ARG B 143 5.553 12.322 18.596 1.00 1.06 H new ATOM 0 HA ARG B 143 6.208 10.905 21.066 1.00 1.26 H new ATOM 0 HB2 ARG B 143 3.862 10.112 20.821 1.00 1.35 H new ATOM 0 HB3 ARG B 143 4.030 11.855 20.878 1.00 1.35 H new ATOM 0 HG2 ARG B 143 3.818 11.959 18.404 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.656 10.215 18.344 1.00 1.36 H new ATOM 0 HD2 ARG B 143 1.777 12.096 19.830 1.00 1.50 H new ATOM 0 HD3 ARG B 143 1.459 11.393 18.256 1.00 1.50 H new ATOM 0 HE ARG B 143 1.272 9.203 19.275 1.00 1.90 H new ATOM 0 HH11 ARG B 143 1.606 11.889 21.563 1.00 2.36 H new ATOM 0 HH12 ARG B 143 0.960 10.956 22.917 1.00 2.36 H new ATOM 0 HH21 ARG B 143 0.450 8.030 21.024 1.00 2.93 H new ATOM 0 HH22 ARG B 143 0.311 8.788 22.614 1.00 2.93 H new ATOM 1810 N CYS B 144 6.453 9.653 18.145 1.00 1.10 N ATOM 1811 CA CYS B 144 6.802 8.509 17.300 1.00 1.17 C ATOM 1812 C CYS B 144 7.958 7.742 17.953 1.00 1.44 C ATOM 1813 O CYS B 144 8.141 6.550 17.715 1.00 1.61 O ATOM 1814 CB CYS B 144 7.118 8.888 15.850 1.00 1.05 C ATOM 1815 SG CYS B 144 6.218 7.886 14.618 1.00 1.26 S ATOM 0 H CYS B 144 6.529 10.559 17.683 1.00 1.10 H new ATOM 0 HA CYS B 144 5.924 7.866 17.232 1.00 1.17 H new ATOM 0 HB2 CYS B 144 6.875 9.940 15.697 1.00 1.05 H new ATOM 0 HB3 CYS B 144 8.189 8.780 15.681 1.00 1.05 H new ATOM 1820 N GLN B 145 8.736 8.448 18.774 1.00 1.58 N ATOM 1821 CA GLN B 145 9.875 7.857 19.483 1.00 1.89 C ATOM 1822 C GLN B 145 9.496 6.583 20.255 1.00 2.14 C ATOM 1823 O GLN B 145 10.362 5.761 20.575 1.00 2.40 O ATOM 1824 CB GLN B 145 10.459 8.877 20.462 1.00 2.00 C ATOM 1825 CG GLN B 145 11.826 8.492 21.007 1.00 2.43 C ATOM 1826 CD GLN B 145 12.938 9.368 20.465 1.00 2.77 C ATOM 1827 OE1 GLN B 145 13.686 8.962 19.575 1.00 3.35 O ATOM 1828 NE2 GLN B 145 13.052 10.579 21.000 1.00 3.05 N ATOM 0 H GLN B 145 8.597 9.440 18.967 1.00 1.58 H new ATOM 0 HA GLN B 145 10.611 7.581 18.728 1.00 1.89 H new ATOM 0 HB2 GLN B 145 10.536 9.843 19.963 1.00 2.00 H new ATOM 0 HB3 GLN B 145 9.768 9.003 21.296 1.00 2.00 H new ATOM 0 HG2 GLN B 145 11.812 8.561 22.095 1.00 2.43 H new ATOM 0 HG3 GLN B 145 12.033 7.452 20.756 1.00 2.43 H new ATOM 0 HE21 GLN B 145 12.410 10.874 21.736 1.00 3.05 H new ATOM 0 HE22 GLN B 145 13.781 11.214 20.675 1.00 3.05 H new ATOM 1837 N GLU B 146 8.213 6.399 20.552 1.00 2.12 N ATOM 1838 CA GLU B 146 7.796 5.216 21.302 1.00 2.41 C ATOM 1839 C GLU B 146 7.560 4.041 20.367 1.00 2.40 C ATOM 1840 O GLU B 146 7.144 2.962 20.795 1.00 2.57 O ATOM 1841 CB GLU B 146 6.522 5.502 22.103 1.00 2.47 C ATOM 1842 CG GLU B 146 6.737 6.433 23.287 1.00 2.88 C ATOM 1843 CD GLU B 146 5.761 7.593 23.304 1.00 3.26 C ATOM 1844 OE1 GLU B 146 4.538 7.341 23.336 1.00 3.59 O ATOM 1845 OE2 GLU B 146 6.219 8.755 23.284 1.00 3.76 O ATOM 0 H GLU B 146 7.459 7.036 20.293 1.00 2.12 H new ATOM 0 HA GLU B 146 8.598 4.961 21.994 1.00 2.41 H new ATOM 0 HB2 GLU B 146 5.777 5.940 21.439 1.00 2.47 H new ATOM 0 HB3 GLU B 146 6.112 4.559 22.464 1.00 2.47 H new ATOM 0 HG2 GLU B 146 6.637 5.866 24.213 1.00 2.88 H new ATOM 0 HG3 GLU B 146 7.755 6.821 23.259 1.00 2.88 H new ATOM 1852 N GLU B 147 7.897 4.231 19.094 1.00 2.27 N ATOM 1853 CA GLU B 147 7.769 3.165 18.126 1.00 2.36 C ATOM 1854 C GLU B 147 8.988 2.259 18.208 1.00 2.40 C ATOM 1855 O GLU B 147 9.096 1.280 17.467 1.00 2.48 O ATOM 1856 CB GLU B 147 7.638 3.733 16.711 1.00 2.40 C ATOM 1857 CG GLU B 147 6.206 3.801 16.214 1.00 2.97 C ATOM 1858 CD GLU B 147 5.780 2.531 15.505 1.00 3.47 C ATOM 1859 OE1 GLU B 147 6.413 2.177 14.489 1.00 4.01 O ATOM 1860 OE2 GLU B 147 4.814 1.889 15.968 1.00 3.71 O ATOM 0 H GLU B 147 8.257 5.108 18.719 1.00 2.27 H new ATOM 0 HA GLU B 147 6.870 2.592 18.351 1.00 2.36 H new ATOM 0 HB2 GLU B 147 8.069 4.734 16.689 1.00 2.40 H new ATOM 0 HB3 GLU B 147 8.223 3.119 16.026 1.00 2.40 H new ATOM 0 HG2 GLU B 147 5.540 3.984 17.057 1.00 2.97 H new ATOM 0 HG3 GLU B 147 6.100 4.647 15.534 1.00 2.97 H new ATOM 1987 N SER B 156 -2.294 -1.295 7.065 1.00 2.21 N ATOM 1988 CA SER B 156 -3.518 -0.594 6.644 1.00 2.03 C ATOM 1989 C SER B 156 -3.217 0.479 5.589 1.00 1.77 C ATOM 1990 O SER B 156 -3.311 1.675 5.859 1.00 2.17 O ATOM 1991 CB SER B 156 -4.231 0.049 7.842 1.00 2.58 C ATOM 1992 OG SER B 156 -5.637 -0.098 7.735 1.00 3.11 O ATOM 0 HA SER B 156 -4.175 -1.343 6.202 1.00 2.03 H new ATOM 0 HB2 SER B 156 -3.883 -0.411 8.767 1.00 2.58 H new ATOM 0 HB3 SER B 156 -3.975 1.107 7.897 1.00 2.58 H new ATOM 0 HG SER B 156 -6.069 0.318 8.510 1.00 3.11 H new ATOM 1998 N GLY B 157 -2.874 0.035 4.382 1.00 1.55 N ATOM 1999 CA GLY B 157 -2.573 0.931 3.296 1.00 1.82 C ATOM 2000 C GLY B 157 -1.885 0.162 2.211 1.00 1.65 C ATOM 2001 O GLY B 157 -0.661 0.041 2.219 1.00 2.07 O ATOM 0 H GLY B 157 -2.800 -0.954 4.142 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -3.489 1.383 2.915 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -1.936 1.745 3.644 1.00 1.82 H new ATOM 2005 N GLN B 158 -2.653 -0.376 1.267 1.00 1.33 N ATOM 2006 CA GLN B 158 -2.026 -1.137 0.216 1.00 1.42 C ATOM 2007 C GLN B 158 -2.159 -0.423 -1.098 1.00 1.04 C ATOM 2008 O GLN B 158 -2.780 -0.891 -2.049 1.00 0.95 O ATOM 2009 CB GLN B 158 -2.724 -2.497 0.124 1.00 1.93 C ATOM 2010 CG GLN B 158 -1.927 -3.558 -0.611 1.00 2.76 C ATOM 2011 CD GLN B 158 -1.813 -4.844 0.182 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -1.071 -4.919 1.160 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -2.553 -5.866 -0.236 1.00 4.34 N ATOM 0 H GLN B 158 -3.669 -0.299 1.215 1.00 1.33 H new ATOM 0 HA GLN B 158 -0.966 -1.262 0.439 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -2.937 -2.852 1.132 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -3.683 -2.367 -0.377 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -2.401 -3.766 -1.570 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -0.929 -3.176 -0.825 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -3.155 -5.759 -1.053 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -2.519 -6.757 0.260 1.00 4.34 H new ATOM 2022 N LYS B 159 -1.505 0.702 -1.123 1.00 1.15 N ATOM 2023 CA LYS B 159 -1.348 1.522 -2.309 1.00 1.13 C ATOM 2024 C LYS B 159 0.104 1.568 -2.769 1.00 0.95 C ATOM 2025 O LYS B 159 0.626 2.680 -2.905 1.00 0.91 O ATOM 2026 CB LYS B 159 -1.958 2.883 -2.117 1.00 1.54 C ATOM 2027 CG LYS B 159 -3.453 2.813 -1.838 1.00 1.91 C ATOM 2028 CD LYS B 159 -3.743 2.487 -0.379 1.00 2.18 C ATOM 2029 CE LYS B 159 -5.224 2.256 -0.144 1.00 2.81 C ATOM 2030 NZ LYS B 159 -5.561 2.250 1.306 1.00 3.54 N ATOM 0 H LYS B 159 -1.049 1.094 -0.299 1.00 1.15 H new ATOM 0 HA LYS B 159 -1.903 1.054 -3.122 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -1.460 3.388 -1.290 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -1.785 3.485 -3.009 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -3.916 3.766 -2.096 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -3.907 2.055 -2.477 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -3.184 1.598 -0.086 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -3.396 3.304 0.253 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -5.797 3.035 -0.647 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -5.518 1.306 -0.589 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -6.581 2.413 1.426 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -5.307 1.329 1.718 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -5.031 3.003 1.789 1.00 3.54 H new ATOM 2044 N PRO B 160 0.833 0.453 -2.880 1.00 1.05 N ATOM 2045 CA PRO B 160 2.256 0.503 -3.208 1.00 1.14 C ATOM 2046 C PRO B 160 2.591 1.287 -4.470 1.00 1.10 C ATOM 2047 O PRO B 160 2.547 0.786 -5.591 1.00 1.23 O ATOM 2048 CB PRO B 160 2.682 -0.961 -3.322 1.00 1.46 C ATOM 2049 CG PRO B 160 1.405 -1.729 -3.371 1.00 1.51 C ATOM 2050 CD PRO B 160 0.404 -0.914 -2.596 1.00 1.27 C ATOM 0 HA PRO B 160 2.798 1.047 -2.434 1.00 1.14 H new ATOM 0 HB2 PRO B 160 3.279 -1.130 -4.218 1.00 1.46 H new ATOM 0 HB3 PRO B 160 3.292 -1.263 -2.470 1.00 1.46 H new ATOM 0 HG2 PRO B 160 1.077 -1.876 -4.400 1.00 1.51 H new ATOM 0 HG3 PRO B 160 1.527 -2.719 -2.931 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -0.617 -1.098 -2.930 1.00 1.27 H new ATOM 0 HD3 PRO B 160 0.435 -1.137 -1.530 1.00 1.27 H new ATOM 2058 N CYS B 161 2.971 2.517 -4.209 1.00 1.09 N ATOM 2059 CA CYS B 161 3.404 3.506 -5.177 1.00 1.15 C ATOM 2060 C CYS B 161 4.924 3.480 -5.205 1.00 1.37 C ATOM 2061 O CYS B 161 5.534 2.628 -4.562 1.00 1.58 O ATOM 2062 CB CYS B 161 2.875 4.903 -4.854 1.00 1.32 C ATOM 2063 SG CYS B 161 3.955 5.871 -3.761 1.00 1.58 S ATOM 0 H CYS B 161 2.988 2.879 -3.255 1.00 1.09 H new ATOM 0 HA CYS B 161 2.999 3.261 -6.159 1.00 1.15 H new ATOM 0 HB2 CYS B 161 2.734 5.451 -5.786 1.00 1.32 H new ATOM 0 HB3 CYS B 161 1.894 4.810 -4.388 1.00 1.32 H new ATOM 2068 N GLY B 162 5.529 4.485 -5.817 1.00 1.57 N ATOM 2069 CA GLY B 162 6.966 4.613 -5.753 1.00 1.88 C ATOM 2070 C GLY B 162 7.742 3.319 -5.794 1.00 2.05 C ATOM 2071 O GLY B 162 7.241 2.265 -6.188 1.00 2.37 O ATOM 0 H GLY B 162 5.053 5.210 -6.354 1.00 1.57 H new ATOM 0 HA2 GLY B 162 7.294 5.238 -6.584 1.00 1.88 H new ATOM 0 HA3 GLY B 162 7.225 5.141 -4.835 1.00 1.88 H new ATOM 2075 N SER B 163 8.997 3.455 -5.418 1.00 2.40 N ATOM 2076 CA SER B 163 9.975 2.369 -5.404 1.00 2.93 C ATOM 2077 C SER B 163 9.890 1.559 -4.117 1.00 2.71 C ATOM 2078 O SER B 163 10.897 1.262 -3.474 1.00 3.29 O ATOM 2079 CB SER B 163 11.385 2.958 -5.541 1.00 3.81 C ATOM 2080 OG SER B 163 11.955 2.647 -6.797 1.00 4.07 O ATOM 0 H SER B 163 9.383 4.346 -5.104 1.00 2.40 H new ATOM 0 HA SER B 163 9.758 1.703 -6.239 1.00 2.93 H new ATOM 0 HB2 SER B 163 11.342 4.040 -5.417 1.00 3.81 H new ATOM 0 HB3 SER B 163 12.021 2.571 -4.745 1.00 3.81 H new ATOM 0 HG SER B 163 12.852 3.037 -6.855 1.00 4.07 H new ATOM 2086 N GLY B 164 8.642 1.197 -3.751 1.00 2.12 N ATOM 2087 CA GLY B 164 8.394 0.419 -2.552 1.00 2.11 C ATOM 2088 C GLY B 164 7.483 1.093 -1.511 1.00 1.92 C ATOM 2089 O GLY B 164 7.382 0.588 -0.390 1.00 2.20 O ATOM 0 H GLY B 164 7.802 1.438 -4.278 1.00 2.12 H new ATOM 0 HA2 GLY B 164 7.947 -0.532 -2.841 1.00 2.11 H new ATOM 0 HA3 GLY B 164 9.350 0.191 -2.081 1.00 2.11 H new ATOM 2093 N GLY B 165 6.839 2.208 -1.840 1.00 1.61 N ATOM 2094 CA GLY B 165 5.985 2.848 -0.847 1.00 1.60 C ATOM 2095 C GLY B 165 4.487 2.661 -1.063 1.00 1.42 C ATOM 2096 O GLY B 165 3.987 2.878 -2.157 1.00 1.62 O ATOM 0 H GLY B 165 6.887 2.672 -2.747 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.245 2.459 0.138 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.204 3.916 -0.836 1.00 1.60 H new ATOM 2100 N ARG B 166 3.767 2.311 0.009 1.00 1.16 N ATOM 2101 CA ARG B 166 2.308 2.168 -0.040 1.00 1.03 C ATOM 2102 C ARG B 166 1.657 3.404 0.585 1.00 0.95 C ATOM 2103 O ARG B 166 2.278 4.069 1.413 1.00 1.04 O ATOM 2104 CB ARG B 166 1.804 0.894 0.648 1.00 1.08 C ATOM 2105 CG ARG B 166 2.074 0.849 2.143 1.00 1.23 C ATOM 2106 CD ARG B 166 3.431 0.253 2.458 1.00 1.39 C ATOM 2107 NE ARG B 166 4.064 0.945 3.577 1.00 1.79 N ATOM 2108 CZ ARG B 166 4.151 0.451 4.814 1.00 2.31 C ATOM 2109 NH1 ARG B 166 3.633 -0.738 5.107 1.00 2.54 N ATOM 2110 NH2 ARG B 166 4.748 1.154 5.767 1.00 3.05 N ATOM 0 H ARG B 166 4.174 2.121 0.925 1.00 1.16 H new ATOM 0 HA ARG B 166 2.025 2.081 -1.089 1.00 1.03 H new ATOM 0 HB2 ARG B 166 0.731 0.803 0.480 1.00 1.08 H new ATOM 0 HB3 ARG B 166 2.274 0.030 0.178 1.00 1.08 H new ATOM 0 HG2 ARG B 166 2.018 1.858 2.552 1.00 1.23 H new ATOM 0 HG3 ARG B 166 1.298 0.262 2.634 1.00 1.23 H new ATOM 0 HD2 ARG B 166 3.320 -0.805 2.697 1.00 1.39 H new ATOM 0 HD3 ARG B 166 4.072 0.316 1.579 1.00 1.39 H new ATOM 0 HE ARG B 166 4.466 1.866 3.402 1.00 1.79 H new ATOM 0 HH11 ARG B 166 3.163 -1.282 4.383 1.00 2.54 H new ATOM 0 HH12 ARG B 166 3.705 -1.106 6.056 1.00 2.54 H new ATOM 0 HH21 ARG B 166 5.140 2.071 5.554 1.00 3.05 H new ATOM 0 HH22 ARG B 166 4.815 0.777 6.713 1.00 3.05 H new ATOM 2124 N CYS B 167 0.420 3.736 0.196 1.00 0.87 N ATOM 2125 CA CYS B 167 -0.234 4.897 0.748 1.00 0.88 C ATOM 2126 C CYS B 167 -0.338 4.744 2.236 1.00 0.88 C ATOM 2127 O CYS B 167 -1.056 3.874 2.728 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.645 5.098 0.185 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.838 6.512 -0.946 1.00 1.56 S ATOM 0 H CYS B 167 -0.130 3.217 -0.489 1.00 0.87 H new ATOM 0 HA CYS B 167 0.367 5.765 0.477 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.941 4.190 -0.341 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -2.336 5.224 1.018 1.00 0.94 H new ATOM 2134 N ALA B 168 0.329 5.607 2.958 1.00 0.90 N ATOM 2135 CA ALA B 168 0.235 5.544 4.391 1.00 0.95 C ATOM 2136 C ALA B 168 -0.922 6.417 4.816 1.00 0.96 C ATOM 2137 O ALA B 168 -1.428 6.306 5.932 1.00 1.04 O ATOM 2138 CB ALA B 168 1.543 5.956 5.052 1.00 0.96 C ATOM 0 H ALA B 168 0.929 6.344 2.588 1.00 0.90 H new ATOM 0 HA ALA B 168 0.053 4.519 4.714 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.438 5.897 6.135 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.341 5.287 4.728 1.00 0.96 H new ATOM 0 HB3 ALA B 168 1.789 6.979 4.766 1.00 0.96 H new ATOM 2144 N ALA B 169 -1.296 7.344 3.929 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.353 8.312 4.203 1.00 0.94 C ATOM 2146 C ALA B 169 -2.826 8.978 2.907 1.00 0.91 C ATOM 2147 O ALA B 169 -2.142 8.916 1.887 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.821 9.350 5.138 1.00 0.98 C ATOM 0 H ALA B 169 -0.874 7.441 3.005 1.00 0.90 H new ATOM 0 HA ALA B 169 -3.203 7.799 4.653 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.601 10.081 5.352 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.504 8.875 6.067 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.970 9.852 4.678 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.999 9.603 2.949 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.564 10.268 1.755 1.00 1.00 C ATOM 2156 C ALA B 170 -3.562 11.204 1.069 1.00 1.04 C ATOM 2157 O ALA B 170 -2.914 12.027 1.715 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.839 11.040 2.088 1.00 1.15 C ATOM 0 H ALA B 170 -4.581 9.669 3.784 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.806 9.465 1.059 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -6.223 11.514 1.185 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.587 10.353 2.484 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -5.618 11.804 2.833 1.00 1.15 H new ATOM 2164 N GLY B 171 -3.471 11.080 -0.258 1.00 1.15 N ATOM 2165 CA GLY B 171 -2.583 11.912 -1.063 1.00 1.28 C ATOM 2166 C GLY B 171 -1.094 11.663 -0.834 1.00 1.22 C ATOM 2167 O GLY B 171 -0.280 11.874 -1.733 1.00 1.29 O ATOM 0 H GLY B 171 -4.009 10.403 -0.799 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -2.807 11.746 -2.117 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -2.799 12.959 -0.853 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.737 11.271 0.377 1.00 1.13 N ATOM 2172 CA ILE B 172 0.653 11.034 0.752 1.00 1.09 C ATOM 2173 C ILE B 172 1.010 9.539 0.718 1.00 1.02 C ATOM 2174 O ILE B 172 0.387 8.692 1.380 1.00 1.34 O ATOM 2175 CB ILE B 172 0.926 11.628 2.141 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.519 10.658 3.230 1.00 1.09 C ATOM 2177 CG2 ILE B 172 0.199 12.951 2.299 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.646 9.744 3.599 1.00 0.91 C ATOM 0 H ILE B 172 -1.402 11.107 1.132 1.00 1.13 H new ATOM 0 HA ILE B 172 1.289 11.530 0.019 1.00 1.09 H new ATOM 0 HB ILE B 172 1.997 11.808 2.235 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.196 11.213 4.111 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.334 10.068 2.894 1.00 1.09 H new ATOM 0 HG21 ILE B 172 0.401 13.361 3.288 1.00 2.27 H new ATOM 0 HG22 ILE B 172 0.546 13.650 1.538 1.00 2.27 H new ATOM 0 HG23 ILE B 172 -0.873 12.793 2.184 1.00 2.27 H new ATOM 0 HD11 ILE B 172 1.319 9.061 4.383 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.952 9.171 2.723 1.00 0.91 H new ATOM 0 HD13 ILE B 172 2.489 10.333 3.959 1.00 0.91 H new ATOM 2190 N CYS B 173 2.018 9.220 -0.071 1.00 0.81 N ATOM 2191 CA CYS B 173 2.466 7.848 -0.212 1.00 1.04 C ATOM 2192 C CYS B 173 3.769 7.617 0.532 1.00 1.06 C ATOM 2193 O CYS B 173 4.810 8.146 0.154 1.00 1.19 O ATOM 2194 CB CYS B 173 2.639 7.515 -1.678 1.00 1.17 C ATOM 2195 SG CYS B 173 3.001 5.772 -1.990 1.00 1.94 S ATOM 0 H CYS B 173 2.544 9.895 -0.626 1.00 0.81 H new ATOM 0 HA CYS B 173 1.710 7.194 0.223 1.00 1.04 H new ATOM 0 HB2 CYS B 173 1.730 7.790 -2.213 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.446 8.123 -2.087 1.00 1.17 H new ATOM 2200 N CYS B 174 3.712 6.844 1.605 1.00 0.97 N ATOM 2201 CA CYS B 174 4.904 6.584 2.389 1.00 0.99 C ATOM 2202 C CYS B 174 5.377 5.144 2.273 1.00 1.16 C ATOM 2203 O CYS B 174 4.582 4.209 2.199 1.00 1.35 O ATOM 2204 CB CYS B 174 4.672 6.958 3.850 1.00 1.12 C ATOM 2205 SG CYS B 174 5.422 8.553 4.315 1.00 1.26 S ATOM 0 H CYS B 174 2.864 6.392 1.948 1.00 0.97 H new ATOM 0 HA CYS B 174 5.698 7.210 1.981 1.00 0.99 H new ATOM 0 HB2 CYS B 174 3.600 6.999 4.041 1.00 1.12 H new ATOM 0 HB3 CYS B 174 5.079 6.173 4.488 1.00 1.12 H new ATOM 2210 N SER B 175 6.693 4.996 2.268 1.00 1.15 N ATOM 2211 CA SER B 175 7.341 3.695 2.178 1.00 1.38 C ATOM 2212 C SER B 175 8.042 3.403 3.501 1.00 1.29 C ATOM 2213 O SER B 175 8.019 4.239 4.405 1.00 1.12 O ATOM 2214 CB SER B 175 8.351 3.711 1.026 1.00 1.48 C ATOM 2215 OG SER B 175 9.449 4.557 1.323 1.00 2.00 O ATOM 0 H SER B 175 7.345 5.778 2.326 1.00 1.15 H new ATOM 0 HA SER B 175 6.604 2.916 1.984 1.00 1.38 H new ATOM 0 HB2 SER B 175 8.708 2.699 0.837 1.00 1.48 H new ATOM 0 HB3 SER B 175 7.862 4.052 0.114 1.00 1.48 H new ATOM 0 HG SER B 175 9.208 5.486 1.126 1.00 2.00 H new ATOM 2221 N PRO B 176 8.686 2.234 3.657 1.00 1.49 N ATOM 2222 CA PRO B 176 9.383 1.913 4.895 1.00 1.45 C ATOM 2223 C PRO B 176 10.758 2.571 4.954 1.00 1.20 C ATOM 2224 O PRO B 176 11.648 2.116 5.672 1.00 1.25 O ATOM 2225 CB PRO B 176 9.503 0.394 4.841 1.00 1.77 C ATOM 2226 CG PRO B 176 9.578 0.074 3.386 1.00 1.90 C ATOM 2227 CD PRO B 176 8.799 1.148 2.663 1.00 1.81 C ATOM 0 HA PRO B 176 8.859 2.273 5.780 1.00 1.45 H new ATOM 0 HB2 PRO B 176 10.391 0.047 5.369 1.00 1.77 H new ATOM 0 HB3 PRO B 176 8.645 -0.088 5.309 1.00 1.77 H new ATOM 0 HG2 PRO B 176 10.614 0.053 3.047 1.00 1.90 H new ATOM 0 HG3 PRO B 176 9.157 -0.911 3.184 1.00 1.90 H new ATOM 0 HD2 PRO B 176 9.318 1.481 1.764 1.00 1.81 H new ATOM 0 HD3 PRO B 176 7.819 0.789 2.350 1.00 1.81 H new ATOM 2235 N ASP B 177 10.918 3.651 4.189 1.00 1.01 N ATOM 2236 CA ASP B 177 12.171 4.393 4.143 1.00 0.92 C ATOM 2237 C ASP B 177 11.907 5.892 3.961 1.00 0.83 C ATOM 2238 O ASP B 177 12.618 6.724 4.525 1.00 0.90 O ATOM 2239 CB ASP B 177 13.060 3.866 3.014 1.00 1.18 C ATOM 2240 CG ASP B 177 13.636 2.498 3.326 1.00 1.96 C ATOM 2241 OD1 ASP B 177 14.503 2.409 4.221 1.00 2.72 O ATOM 2242 OD2 ASP B 177 13.218 1.515 2.677 1.00 2.51 O ATOM 0 H ASP B 177 10.186 4.031 3.589 1.00 1.01 H new ATOM 0 HA ASP B 177 12.690 4.250 5.091 1.00 0.92 H new ATOM 0 HB2 ASP B 177 12.480 3.812 2.093 1.00 1.18 H new ATOM 0 HB3 ASP B 177 13.874 4.569 2.837 1.00 1.18 H new ATOM 2247 N GLY B 178 10.878 6.228 3.177 1.00 0.89 N ATOM 2248 CA GLY B 178 10.545 7.621 2.950 1.00 0.87 C ATOM 2249 C GLY B 178 9.096 7.835 2.545 1.00 0.85 C ATOM 2250 O GLY B 178 8.196 7.144 3.024 1.00 0.99 O ATOM 0 H GLY B 178 10.274 5.559 2.699 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.749 8.189 3.858 1.00 0.87 H new ATOM 0 HA3 GLY B 178 11.195 8.021 2.172 1.00 0.87 H new ATOM 2254 N CYS B 179 8.873 8.808 1.660 1.00 0.78 N ATOM 2255 CA CYS B 179 7.527 9.132 1.189 1.00 0.79 C ATOM 2256 C CYS B 179 7.557 9.714 -0.229 1.00 0.77 C ATOM 2257 O CYS B 179 8.573 10.244 -0.672 1.00 0.88 O ATOM 2258 CB CYS B 179 6.871 10.133 2.150 1.00 0.92 C ATOM 2259 SG CYS B 179 5.173 9.702 2.656 1.00 1.34 S ATOM 0 H CYS B 179 9.609 9.386 1.255 1.00 0.78 H new ATOM 0 HA CYS B 179 6.944 8.211 1.163 1.00 0.79 H new ATOM 0 HB2 CYS B 179 7.491 10.219 3.042 1.00 0.92 H new ATOM 0 HB3 CYS B 179 6.856 11.115 1.676 1.00 0.92 H new ATOM 2264 N HIS B 180 6.430 9.631 -0.940 1.00 0.70 N ATOM 2265 CA HIS B 180 6.342 10.166 -2.296 1.00 0.75 C ATOM 2266 C HIS B 180 4.934 10.689 -2.568 1.00 0.69 C ATOM 2267 O HIS B 180 3.958 10.169 -2.031 1.00 0.66 O ATOM 2268 CB HIS B 180 6.694 9.084 -3.322 1.00 0.89 C ATOM 2269 CG HIS B 180 8.115 8.616 -3.253 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.471 7.343 -2.864 1.00 1.60 N ATOM 2271 CD2 HIS B 180 9.272 9.256 -3.539 1.00 1.70 C ATOM 2272 CE1 HIS B 180 9.785 7.219 -2.914 1.00 2.03 C ATOM 2273 NE2 HIS B 180 10.297 8.366 -3.321 1.00 2.10 N ATOM 0 H HIS B 180 5.571 9.200 -0.599 1.00 0.70 H new ATOM 0 HA HIS B 180 7.053 10.987 -2.387 1.00 0.75 H new ATOM 0 HB2 HIS B 180 6.034 8.230 -3.174 1.00 0.89 H new ATOM 0 HB3 HIS B 180 6.498 9.469 -4.323 1.00 0.89 H new ATOM 0 HD2 HIS B 180 9.372 10.277 -3.876 1.00 1.70 H new ATOM 0 HE1 HIS B 180 10.346 6.330 -2.664 1.00 2.03 H new ATOM 0 HE2 HIS B 180 11.290 8.560 -3.452 1.00 2.10 H new ATOM 2282 N GLU B 181 4.832 11.721 -3.397 1.00 0.75 N ATOM 2283 CA GLU B 181 3.537 12.297 -3.728 1.00 0.77 C ATOM 2284 C GLU B 181 2.682 11.288 -4.480 1.00 0.73 C ATOM 2285 O GLU B 181 3.158 10.630 -5.405 1.00 0.94 O ATOM 2286 CB GLU B 181 3.711 13.557 -4.577 1.00 0.93 C ATOM 2287 CG GLU B 181 4.620 14.599 -3.946 1.00 1.69 C ATOM 2288 CD GLU B 181 5.677 15.106 -4.907 1.00 2.34 C ATOM 2289 OE1 GLU B 181 6.535 14.301 -5.324 1.00 2.69 O ATOM 2290 OE2 GLU B 181 5.648 16.308 -5.242 1.00 3.06 O ATOM 0 H GLU B 181 5.626 12.173 -3.850 1.00 0.75 H new ATOM 0 HA GLU B 181 3.037 12.563 -2.797 1.00 0.77 H new ATOM 0 HB2 GLU B 181 4.116 13.276 -5.549 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.732 14.002 -4.755 1.00 0.93 H new ATOM 0 HG2 GLU B 181 4.018 15.438 -3.597 1.00 1.69 H new ATOM 0 HG3 GLU B 181 5.106 14.170 -3.070 1.00 1.69 H new ATOM 2297 N ASP B 182 1.420 11.162 -4.078 1.00 0.77 N ATOM 2298 CA ASP B 182 0.512 10.225 -4.732 1.00 0.79 C ATOM 2299 C ASP B 182 -0.917 10.792 -4.772 1.00 0.97 C ATOM 2300 O ASP B 182 -1.516 11.043 -3.728 1.00 1.22 O ATOM 2301 CB ASP B 182 0.570 8.871 -4.010 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.481 8.715 -2.923 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -1.648 8.428 -3.263 1.00 1.88 O ATOM 2304 OD2 ASP B 182 -0.135 8.881 -1.735 1.00 2.06 O ATOM 0 H ASP B 182 1.006 11.691 -3.310 1.00 0.77 H new ATOM 0 HA ASP B 182 0.824 10.076 -5.766 1.00 0.79 H new ATOM 0 HB2 ASP B 182 0.445 8.073 -4.742 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.559 8.746 -3.568 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.478 11.025 -5.980 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.823 11.586 -6.142 1.00 1.41 C ATOM 2311 C PRO B 183 -3.935 10.540 -6.062 1.00 1.28 C ATOM 2312 O PRO B 183 -5.117 10.885 -6.034 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.793 12.202 -7.552 1.00 1.79 C ATOM 2314 CG PRO B 183 -1.447 11.880 -8.132 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.851 10.792 -7.284 1.00 1.41 C ATOM 0 HA PRO B 183 -3.045 12.293 -5.343 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -3.590 11.791 -8.171 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -2.948 13.280 -7.507 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -1.542 11.553 -9.168 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.807 12.762 -8.133 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -1.083 9.801 -7.674 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.235 10.868 -7.231 1.00 1.41 H new ATOM 2323 N ALA B 184 -3.561 9.269 -6.049 1.00 1.13 N ATOM 2324 CA ALA B 184 -4.538 8.189 -5.989 1.00 1.18 C ATOM 2325 C ALA B 184 -5.287 8.167 -4.659 1.00 1.22 C ATOM 2326 O ALA B 184 -6.373 7.594 -4.562 1.00 1.56 O ATOM 2327 CB ALA B 184 -3.856 6.850 -6.229 1.00 1.21 C ATOM 0 H ALA B 184 -2.590 8.959 -6.079 1.00 1.13 H new ATOM 0 HA ALA B 184 -5.272 8.368 -6.775 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -4.596 6.051 -6.182 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -3.386 6.852 -7.213 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -3.096 6.686 -5.465 1.00 1.21 H new ATOM 2333 N CYS B 185 -4.689 8.753 -3.625 1.00 1.05 N ATOM 2334 CA CYS B 185 -5.298 8.751 -2.302 1.00 1.23 C ATOM 2335 C CYS B 185 -5.998 10.077 -1.942 1.00 1.50 C ATOM 2336 O CYS B 185 -6.251 10.347 -0.772 1.00 1.94 O ATOM 2337 CB CYS B 185 -4.239 8.361 -1.265 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.847 6.581 -1.251 1.00 1.46 S ATOM 0 H CYS B 185 -3.790 9.232 -3.679 1.00 1.05 H new ATOM 0 HA CYS B 185 -6.098 8.010 -2.304 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -3.326 8.923 -1.462 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -4.587 8.655 -0.275 1.00 1.19 H new ATOM 2343 N ASP B 186 -6.338 10.878 -2.955 1.00 1.54 N ATOM 2344 CA ASP B 186 -7.033 12.149 -2.762 1.00 1.92 C ATOM 2345 C ASP B 186 -8.463 11.937 -2.299 1.00 1.82 C ATOM 2346 O ASP B 186 -8.961 12.685 -1.456 1.00 2.28 O ATOM 2347 CB ASP B 186 -7.011 12.965 -4.056 1.00 2.44 C ATOM 2348 CG ASP B 186 -5.812 13.889 -4.135 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -5.872 14.991 -3.551 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -4.815 13.512 -4.784 1.00 3.49 O ATOM 0 H ASP B 186 -6.138 10.662 -3.932 1.00 1.54 H new ATOM 0 HA ASP B 186 -6.509 12.701 -1.982 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -7.001 12.287 -4.910 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -7.926 13.554 -4.127 1.00 2.44 H new