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 -117:sc= 0.306 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 180:sc= 0.035 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=-0.046) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.0595 (180deg=-0.358) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 171:sc= -0.0797 USER MOD Single : A 80 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.83) USER MOD Single : B 110 CYS SG : rot -117:sc= 0.323 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 180:sc= -0.0985 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=-0.000108 X(o=-0.00011,f=-0.031) USER MOD Single : B 159 LYS NZ :NH3+ -156:sc= -0.0402 (180deg=-0.369) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 171:sc= -0.0822 USER MOD Single : B 180 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 13.231 30.169 2.122 1.00 2.54 N ATOM 146 CA CYS A 10 12.075 29.527 1.513 1.00 1.93 C ATOM 147 C CYS A 10 10.793 29.856 2.272 1.00 1.72 C ATOM 148 O CYS A 10 10.636 29.480 3.427 1.00 1.97 O ATOM 149 CB CYS A 10 12.291 28.013 1.437 1.00 2.28 C ATOM 150 SG CYS A 10 12.136 27.327 -0.244 1.00 2.68 S ATOM 0 HA CYS A 10 11.964 29.915 0.501 1.00 1.93 H new ATOM 0 HB2 CYS A 10 13.282 27.778 1.825 1.00 2.28 H new ATOM 0 HB3 CYS A 10 11.569 27.520 2.088 1.00 2.28 H new ATOM 0 HG CYS A 10 11.145 26.487 -0.280 1.00 2.68 H new ATOM 155 N LEU A 11 9.880 30.572 1.612 1.00 1.49 N ATOM 156 CA LEU A 11 8.608 30.969 2.228 1.00 1.39 C ATOM 157 C LEU A 11 8.148 29.964 3.293 1.00 1.20 C ATOM 158 O LEU A 11 8.125 28.758 3.058 1.00 1.16 O ATOM 159 CB LEU A 11 7.523 31.133 1.163 1.00 1.55 C ATOM 160 CG LEU A 11 6.508 32.242 1.447 1.00 1.91 C ATOM 161 CD1 LEU A 11 7.152 33.612 1.289 1.00 2.48 C ATOM 162 CD2 LEU A 11 5.303 32.109 0.529 1.00 2.29 C ATOM 0 H LEU A 11 9.996 30.890 0.650 1.00 1.49 H new ATOM 0 HA LEU A 11 8.775 31.926 2.722 1.00 1.39 H new ATOM 0 HB2 LEU A 11 8.002 31.335 0.205 1.00 1.55 H new ATOM 0 HB3 LEU A 11 6.989 30.188 1.060 1.00 1.55 H new ATOM 0 HG LEU A 11 6.169 32.141 2.478 1.00 1.91 H new ATOM 0 HD11 LEU A 11 6.414 34.387 1.495 1.00 2.48 H new ATOM 0 HD12 LEU A 11 7.982 33.707 1.989 1.00 2.48 H new ATOM 0 HD13 LEU A 11 7.522 33.725 0.270 1.00 2.48 H new ATOM 0 HD21 LEU A 11 4.591 32.906 0.745 1.00 2.29 H new ATOM 0 HD22 LEU A 11 5.627 32.183 -0.509 1.00 2.29 H new ATOM 0 HD23 LEU A 11 4.826 31.143 0.692 1.00 2.29 H new ATOM 174 N PRO A 12 7.798 30.459 4.491 1.00 1.19 N ATOM 175 CA PRO A 12 7.354 29.618 5.618 1.00 1.11 C ATOM 176 C PRO A 12 5.977 28.977 5.431 1.00 1.01 C ATOM 177 O PRO A 12 5.128 29.532 4.740 1.00 1.05 O ATOM 178 CB PRO A 12 7.262 30.611 6.782 1.00 1.29 C ATOM 179 CG PRO A 12 7.034 31.928 6.135 1.00 1.49 C ATOM 180 CD PRO A 12 7.826 31.891 4.862 1.00 1.39 C ATOM 0 HA PRO A 12 8.042 28.783 5.751 1.00 1.11 H new ATOM 0 HB2 PRO A 12 6.446 30.355 7.458 1.00 1.29 H new ATOM 0 HB3 PRO A 12 8.177 30.613 7.374 1.00 1.29 H new ATOM 0 HG2 PRO A 12 5.975 32.088 5.934 1.00 1.49 H new ATOM 0 HG3 PRO A 12 7.363 32.744 6.779 1.00 1.49 H new ATOM 0 HD2 PRO A 12 7.378 32.516 4.090 1.00 1.39 H new ATOM 0 HD3 PRO A 12 8.845 32.249 5.010 1.00 1.39 H new ATOM 188 N CYS A 13 5.733 27.810 6.065 1.00 0.93 N ATOM 189 CA CYS A 13 4.389 27.193 5.963 1.00 0.89 C ATOM 190 C CYS A 13 4.168 26.180 7.081 1.00 0.90 C ATOM 191 O CYS A 13 4.995 26.085 7.990 1.00 1.00 O ATOM 192 CB CYS A 13 4.129 26.602 4.552 1.00 0.82 C ATOM 193 SG CYS A 13 3.720 24.818 4.447 1.00 0.86 S ATOM 0 H CYS A 13 6.411 27.295 6.627 1.00 0.93 H new ATOM 0 HA CYS A 13 3.646 27.979 6.097 1.00 0.89 H new ATOM 0 HB2 CYS A 13 3.312 27.162 4.097 1.00 0.82 H new ATOM 0 HB3 CYS A 13 5.015 26.781 3.943 1.00 0.82 H new ATOM 198 N GLY A 14 3.100 25.392 7.030 1.00 0.91 N ATOM 199 CA GLY A 14 2.867 24.381 8.064 1.00 0.98 C ATOM 200 C GLY A 14 2.314 24.909 9.386 1.00 1.10 C ATOM 201 O GLY A 14 1.756 26.005 9.435 1.00 1.15 O ATOM 0 H GLY A 14 2.390 25.429 6.298 1.00 0.91 H new ATOM 0 HA2 GLY A 14 2.174 23.638 7.671 1.00 0.98 H new ATOM 0 HA3 GLY A 14 3.807 23.866 8.263 1.00 0.98 H new ATOM 205 N PRO A 15 2.468 24.136 10.492 1.00 1.19 N ATOM 206 CA PRO A 15 1.991 24.499 11.853 1.00 1.33 C ATOM 207 C PRO A 15 2.657 25.762 12.341 1.00 1.40 C ATOM 208 O PRO A 15 3.808 25.784 12.779 1.00 1.57 O ATOM 209 CB PRO A 15 2.426 23.307 12.684 1.00 1.46 C ATOM 210 CG PRO A 15 3.647 22.981 11.973 1.00 1.39 C ATOM 211 CD PRO A 15 3.175 22.858 10.564 1.00 1.21 C ATOM 0 HA PRO A 15 0.920 24.696 11.898 1.00 1.33 H new ATOM 0 HB2 PRO A 15 2.601 23.562 13.729 1.00 1.46 H new ATOM 0 HB3 PRO A 15 1.699 22.495 12.671 1.00 1.46 H new ATOM 0 HG2 PRO A 15 4.401 23.761 12.082 1.00 1.39 H new ATOM 0 HG3 PRO A 15 4.092 22.054 12.334 1.00 1.39 H new ATOM 0 HD2 PRO A 15 3.990 22.778 9.845 1.00 1.21 H new ATOM 0 HD3 PRO A 15 2.524 21.999 10.404 1.00 1.21 H new ATOM 219 N GLY A 16 1.891 26.786 12.290 1.00 1.34 N ATOM 220 CA GLY A 16 2.263 28.109 12.688 1.00 1.47 C ATOM 221 C GLY A 16 2.961 28.830 11.582 1.00 1.43 C ATOM 222 O GLY A 16 3.187 30.041 11.674 1.00 1.68 O ATOM 0 H GLY A 16 0.930 26.730 11.951 1.00 1.34 H new ATOM 0 HA2 GLY A 16 1.374 28.666 12.984 1.00 1.47 H new ATOM 0 HA3 GLY A 16 2.914 28.059 13.561 1.00 1.47 H new ATOM 226 N GLY A 17 3.327 28.108 10.527 1.00 1.28 N ATOM 227 CA GLY A 17 3.997 28.738 9.457 1.00 1.25 C ATOM 228 C GLY A 17 5.422 29.001 9.796 1.00 1.24 C ATOM 229 O GLY A 17 6.019 30.007 9.415 1.00 1.36 O ATOM 0 H GLY A 17 3.163 27.107 10.415 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.942 28.109 8.569 1.00 1.25 H new ATOM 0 HA3 GLY A 17 3.499 29.677 9.214 1.00 1.25 H new ATOM 233 N LYS A 18 5.979 28.016 10.527 1.00 1.18 N ATOM 234 CA LYS A 18 7.350 28.049 10.954 1.00 1.23 C ATOM 235 C LYS A 18 8.279 27.451 9.935 1.00 1.13 C ATOM 236 O LYS A 18 9.395 27.960 9.785 1.00 1.22 O ATOM 237 CB LYS A 18 7.537 27.355 12.296 1.00 1.28 C ATOM 238 CG LYS A 18 6.414 27.639 13.269 1.00 1.34 C ATOM 239 CD LYS A 18 6.914 28.385 14.496 1.00 1.73 C ATOM 240 CE LYS A 18 6.380 27.789 15.788 1.00 1.91 C ATOM 241 NZ LYS A 18 6.385 28.781 16.899 1.00 2.50 N ATOM 0 H LYS A 18 5.472 27.183 10.827 1.00 1.18 H new ATOM 0 HA LYS A 18 7.607 29.102 11.067 1.00 1.23 H new ATOM 0 HB2 LYS A 18 7.608 26.279 12.136 1.00 1.28 H new ATOM 0 HB3 LYS A 18 8.481 27.675 12.736 1.00 1.28 H new ATOM 0 HG2 LYS A 18 5.642 28.228 12.773 1.00 1.34 H new ATOM 0 HG3 LYS A 18 5.951 26.701 13.576 1.00 1.34 H new ATOM 0 HD2 LYS A 18 8.004 28.365 14.512 1.00 1.73 H new ATOM 0 HD3 LYS A 18 6.615 29.431 14.430 1.00 1.73 H new ATOM 0 HE2 LYS A 18 5.364 27.427 15.629 1.00 1.91 H new ATOM 0 HE3 LYS A 18 6.985 26.927 16.068 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 6.014 28.337 17.763 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 7.358 29.108 17.068 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 5.787 29.592 16.643 1.00 2.50 H new ATOM 255 N GLY A 19 7.940 26.377 9.206 1.00 1.02 N ATOM 256 CA GLY A 19 8.819 25.812 8.240 1.00 0.95 C ATOM 257 C GLY A 19 8.616 26.446 6.892 1.00 0.91 C ATOM 258 O GLY A 19 7.939 27.439 6.779 1.00 1.00 O ATOM 0 H GLY A 19 7.045 25.896 9.289 1.00 1.02 H new ATOM 0 HA2 GLY A 19 9.852 25.949 8.559 1.00 0.95 H new ATOM 0 HA3 GLY A 19 8.647 24.738 8.170 1.00 0.95 H new ATOM 262 N ARG A 20 9.275 25.889 5.915 1.00 0.86 N ATOM 263 CA ARG A 20 9.202 26.387 4.542 1.00 0.86 C ATOM 264 C ARG A 20 8.508 25.395 3.582 1.00 0.80 C ATOM 265 O ARG A 20 8.219 24.264 3.958 1.00 0.78 O ATOM 266 CB ARG A 20 10.586 26.755 4.068 1.00 0.94 C ATOM 267 CG ARG A 20 11.397 27.506 5.117 1.00 1.13 C ATOM 268 CD ARG A 20 12.624 26.721 5.540 1.00 1.55 C ATOM 269 NE ARG A 20 13.549 27.535 6.322 1.00 1.82 N ATOM 270 CZ ARG A 20 13.469 27.690 7.640 1.00 2.25 C ATOM 271 NH1 ARG A 20 12.511 27.087 8.334 1.00 2.59 N ATOM 272 NH2 ARG A 20 14.352 28.453 8.271 1.00 2.92 N ATOM 0 H ARG A 20 9.881 25.077 6.033 1.00 0.86 H new ATOM 0 HA ARG A 20 8.576 27.279 4.538 1.00 0.86 H new ATOM 0 HB2 ARG A 20 11.120 25.848 3.785 1.00 0.94 H new ATOM 0 HB3 ARG A 20 10.505 27.370 3.171 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.703 28.473 4.718 1.00 1.13 H new ATOM 0 HG3 ARG A 20 10.772 27.704 5.988 1.00 1.13 H new ATOM 0 HD2 ARG A 20 12.317 25.856 6.127 1.00 1.55 H new ATOM 0 HD3 ARG A 20 13.134 26.341 4.655 1.00 1.55 H new ATOM 0 HE ARG A 20 14.302 28.014 5.828 1.00 1.82 H new ATOM 0 HH11 ARG A 20 11.828 26.499 7.856 1.00 2.59 H new ATOM 0 HH12 ARG A 20 12.458 27.212 9.345 1.00 2.59 H new ATOM 0 HH21 ARG A 20 15.091 28.920 7.745 1.00 2.92 H new ATOM 0 HH22 ARG A 20 14.292 28.573 9.282 1.00 2.92 H new ATOM 286 N CYS A 21 8.242 25.817 2.332 1.00 0.82 N ATOM 287 CA CYS A 21 7.583 24.933 1.352 1.00 0.81 C ATOM 288 C CYS A 21 8.586 24.461 0.299 1.00 0.84 C ATOM 289 O CYS A 21 9.504 25.191 -0.074 1.00 1.04 O ATOM 290 CB CYS A 21 6.422 25.650 0.631 1.00 0.91 C ATOM 291 SG CYS A 21 4.779 25.501 1.420 1.00 1.10 S ATOM 0 H CYS A 21 8.468 26.747 1.981 1.00 0.82 H new ATOM 0 HA CYS A 21 7.188 24.082 1.906 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.669 26.708 0.548 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.353 25.259 -0.384 1.00 0.91 H new ATOM 296 N PHE A 22 8.405 23.220 -0.167 1.00 0.76 N ATOM 297 CA PHE A 22 9.298 22.627 -1.170 1.00 0.83 C ATOM 298 C PHE A 22 8.534 21.754 -2.162 1.00 0.94 C ATOM 299 O PHE A 22 9.114 20.872 -2.797 1.00 1.43 O ATOM 300 CB PHE A 22 10.356 21.771 -0.479 1.00 0.85 C ATOM 301 CG PHE A 22 11.285 22.560 0.384 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.909 22.947 1.663 1.00 1.42 C ATOM 303 CD2 PHE A 22 12.534 22.926 -0.087 1.00 1.40 C ATOM 304 CE1 PHE A 22 11.771 23.686 2.452 1.00 1.50 C ATOM 305 CE2 PHE A 22 13.397 23.663 0.699 1.00 1.51 C ATOM 306 CZ PHE A 22 13.014 24.043 1.970 1.00 1.14 C ATOM 0 H PHE A 22 7.648 22.606 0.134 1.00 0.76 H new ATOM 0 HA PHE A 22 9.765 23.446 -1.716 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.860 21.015 0.130 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.936 21.242 -1.235 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.937 22.669 2.044 1.00 1.42 H new ATOM 0 HD2 PHE A 22 12.837 22.632 -1.081 1.00 1.40 H new ATOM 0 HE1 PHE A 22 11.472 23.984 3.446 1.00 1.50 H new ATOM 0 HE2 PHE A 22 14.369 23.942 0.321 1.00 1.51 H new ATOM 0 HZ PHE A 22 13.687 24.620 2.587 1.00 1.14 H new ATOM 316 N GLY A 23 7.240 21.999 -2.293 1.00 0.83 N ATOM 317 CA GLY A 23 6.427 21.220 -3.208 1.00 0.88 C ATOM 318 C GLY A 23 4.964 21.576 -3.086 1.00 0.88 C ATOM 319 O GLY A 23 4.629 22.560 -2.438 1.00 0.90 O ATOM 0 H GLY A 23 6.736 22.724 -1.782 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.761 21.393 -4.231 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.563 20.158 -3.004 1.00 0.88 H new ATOM 323 N PRO A 24 4.058 20.804 -3.702 1.00 1.01 N ATOM 324 CA PRO A 24 2.627 21.074 -3.641 1.00 1.07 C ATOM 325 C PRO A 24 1.993 20.558 -2.349 1.00 0.96 C ATOM 326 O PRO A 24 1.338 21.308 -1.625 1.00 1.03 O ATOM 327 CB PRO A 24 2.061 20.322 -4.860 1.00 1.32 C ATOM 328 CG PRO A 24 3.227 19.650 -5.523 1.00 1.50 C ATOM 329 CD PRO A 24 4.344 19.622 -4.516 1.00 1.24 C ATOM 0 HA PRO A 24 2.416 22.143 -3.653 1.00 1.07 H new ATOM 0 HB2 PRO A 24 1.315 19.590 -4.552 1.00 1.32 H new ATOM 0 HB3 PRO A 24 1.568 21.011 -5.546 1.00 1.32 H new ATOM 0 HG2 PRO A 24 2.964 18.640 -5.836 1.00 1.50 H new ATOM 0 HG3 PRO A 24 3.528 20.193 -6.419 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.334 18.708 -3.923 1.00 1.24 H new ATOM 0 HD3 PRO A 24 5.323 19.683 -4.992 1.00 1.24 H new ATOM 337 N SER A 25 2.193 19.272 -2.068 1.00 0.97 N ATOM 338 CA SER A 25 1.643 18.646 -0.864 1.00 0.92 C ATOM 339 C SER A 25 2.730 18.383 0.172 1.00 0.78 C ATOM 340 O SER A 25 2.518 17.639 1.121 1.00 0.81 O ATOM 341 CB SER A 25 0.973 17.312 -1.225 1.00 1.12 C ATOM 342 OG SER A 25 -0.408 17.332 -0.914 1.00 1.26 O ATOM 0 H SER A 25 2.733 18.640 -2.659 1.00 0.97 H new ATOM 0 HA SER A 25 0.911 19.334 -0.440 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.106 17.111 -2.288 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.459 16.500 -0.684 1.00 1.12 H new ATOM 0 HG SER A 25 -0.810 16.472 -1.155 1.00 1.26 H new ATOM 348 N ILE A 26 3.907 18.954 -0.032 1.00 0.70 N ATOM 349 CA ILE A 26 5.020 18.717 0.868 1.00 0.61 C ATOM 350 C ILE A 26 5.570 19.996 1.495 1.00 0.58 C ATOM 351 O ILE A 26 5.999 20.913 0.792 1.00 0.73 O ATOM 352 CB ILE A 26 6.156 17.973 0.147 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.622 17.107 -0.991 1.00 0.79 C ATOM 354 CG2 ILE A 26 6.942 17.162 1.133 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.708 16.667 -1.943 1.00 0.83 C ATOM 0 H ILE A 26 4.114 19.581 -0.809 1.00 0.70 H new ATOM 0 HA ILE A 26 4.625 18.101 1.676 1.00 0.61 H new ATOM 0 HB ILE A 26 6.822 18.710 -0.303 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.131 16.228 -0.574 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.864 17.664 -1.542 1.00 0.79 H new ATOM 0 HG21 ILE A 26 7.745 16.638 0.615 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.368 17.821 1.889 1.00 0.74 H new ATOM 0 HG23 ILE A 26 6.285 16.436 1.613 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.273 16.054 -2.733 1.00 0.83 H new ATOM 0 HD12 ILE A 26 7.183 17.544 -2.384 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.453 16.085 -1.401 1.00 0.83 H new ATOM 367 N CYS A 27 5.576 20.049 2.830 1.00 0.56 N ATOM 368 CA CYS A 27 6.103 21.220 3.524 1.00 0.56 C ATOM 369 C CYS A 27 7.091 20.823 4.621 1.00 0.55 C ATOM 370 O CYS A 27 6.761 20.154 5.594 1.00 0.59 O ATOM 371 CB CYS A 27 4.994 22.102 4.087 1.00 0.60 C ATOM 372 SG CYS A 27 5.491 23.843 4.334 1.00 0.92 S ATOM 0 H CYS A 27 5.228 19.308 3.439 1.00 0.56 H new ATOM 0 HA CYS A 27 6.641 21.808 2.780 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.139 22.070 3.412 1.00 0.60 H new ATOM 0 HB3 CYS A 27 4.663 21.690 5.040 1.00 0.60 H new ATOM 377 N CYS A 28 8.308 21.269 4.390 1.00 0.56 N ATOM 378 CA CYS A 28 9.468 21.065 5.216 1.00 0.58 C ATOM 379 C CYS A 28 10.032 22.440 5.644 1.00 0.61 C ATOM 380 O CYS A 28 10.074 23.372 4.856 1.00 0.76 O ATOM 381 CB CYS A 28 10.486 20.229 4.428 1.00 0.65 C ATOM 382 SG CYS A 28 9.858 19.568 2.840 1.00 1.28 S ATOM 0 H CYS A 28 8.522 21.822 3.560 1.00 0.56 H new ATOM 0 HA CYS A 28 9.219 20.519 6.126 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.365 20.842 4.230 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.812 19.396 5.050 1.00 0.65 H new ATOM 387 N GLY A 29 10.628 22.473 6.853 1.00 0.62 N ATOM 388 CA GLY A 29 11.300 23.629 7.344 1.00 0.65 C ATOM 389 C GLY A 29 12.458 23.118 8.108 1.00 0.67 C ATOM 390 O GLY A 29 12.776 21.939 8.003 1.00 0.66 O ATOM 0 H GLY A 29 10.641 21.681 7.496 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.623 24.272 6.526 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.644 24.225 7.978 1.00 0.65 H new ATOM 394 N ASP A 30 13.103 23.936 8.856 1.00 0.72 N ATOM 395 CA ASP A 30 14.235 23.448 9.594 1.00 0.76 C ATOM 396 C ASP A 30 13.844 22.445 10.691 1.00 0.77 C ATOM 397 O ASP A 30 14.157 21.262 10.628 1.00 0.80 O ATOM 398 CB ASP A 30 15.026 24.614 10.195 1.00 0.84 C ATOM 399 CG ASP A 30 14.163 25.612 10.949 1.00 1.41 C ATOM 400 OD1 ASP A 30 12.973 25.759 10.603 1.00 2.27 O ATOM 401 OD2 ASP A 30 14.684 26.250 11.889 1.00 1.92 O ATOM 0 H ASP A 30 12.884 24.924 8.980 1.00 0.72 H new ATOM 0 HA ASP A 30 14.865 22.911 8.885 1.00 0.76 H new ATOM 0 HB2 ASP A 30 15.783 24.218 10.871 1.00 0.84 H new ATOM 0 HB3 ASP A 30 15.554 25.134 9.396 1.00 0.84 H new ATOM 406 N GLU A 31 13.189 22.958 11.687 1.00 0.78 N ATOM 407 CA GLU A 31 12.793 22.179 12.865 1.00 0.83 C ATOM 408 C GLU A 31 11.407 21.669 12.732 1.00 0.87 C ATOM 409 O GLU A 31 10.772 21.265 13.707 1.00 1.00 O ATOM 410 CB GLU A 31 12.951 22.955 14.181 1.00 0.90 C ATOM 411 CG GLU A 31 13.696 24.276 14.061 1.00 0.99 C ATOM 412 CD GLU A 31 14.710 24.479 15.173 1.00 1.14 C ATOM 413 OE1 GLU A 31 14.290 24.607 16.343 1.00 1.66 O ATOM 414 OE2 GLU A 31 15.921 24.518 14.873 1.00 1.64 O ATOM 0 H GLU A 31 12.902 23.936 11.725 1.00 0.78 H new ATOM 0 HA GLU A 31 13.479 21.333 12.909 1.00 0.83 H new ATOM 0 HB2 GLU A 31 11.960 23.149 14.592 1.00 0.90 H new ATOM 0 HB3 GLU A 31 13.475 22.323 14.898 1.00 0.90 H new ATOM 0 HG2 GLU A 31 14.206 24.315 13.098 1.00 0.99 H new ATOM 0 HG3 GLU A 31 12.978 25.096 14.075 1.00 0.99 H new ATOM 421 N LEU A 32 10.921 21.725 11.519 1.00 0.82 N ATOM 422 CA LEU A 32 9.628 21.285 11.211 1.00 0.88 C ATOM 423 C LEU A 32 9.740 20.128 10.264 1.00 0.82 C ATOM 424 O LEU A 32 8.819 19.335 10.094 1.00 0.90 O ATOM 425 CB LEU A 32 8.902 22.442 10.621 1.00 0.93 C ATOM 426 CG LEU A 32 7.743 22.930 11.466 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.265 24.258 10.947 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.622 21.906 11.510 1.00 1.37 C ATOM 0 H LEU A 32 11.439 22.088 10.719 1.00 0.82 H new ATOM 0 HA LEU A 32 9.076 20.939 12.085 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.604 23.263 10.474 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.529 22.161 9.636 1.00 0.93 H new ATOM 0 HG LEU A 32 8.085 23.063 12.492 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.431 24.608 11.556 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.079 24.982 10.996 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.938 24.148 9.913 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.806 22.286 12.124 1.00 1.37 H new ATOM 0 HD22 LEU A 32 6.259 21.720 10.499 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.995 20.976 11.938 1.00 1.37 H new ATOM 440 N GLY A 33 10.916 20.034 9.668 1.00 0.73 N ATOM 441 CA GLY A 33 11.202 18.984 8.780 1.00 0.71 C ATOM 442 C GLY A 33 10.339 18.966 7.541 1.00 0.67 C ATOM 443 O GLY A 33 10.159 19.992 6.917 1.00 0.65 O ATOM 0 H GLY A 33 11.681 20.695 9.803 1.00 0.73 H new ATOM 0 HA2 GLY A 33 12.248 19.052 8.479 1.00 0.71 H new ATOM 0 HA3 GLY A 33 11.083 18.037 9.306 1.00 0.71 H new ATOM 447 N CYS A 34 9.715 17.844 7.216 1.00 0.70 N ATOM 448 CA CYS A 34 8.882 17.812 6.014 1.00 0.69 C ATOM 449 C CYS A 34 7.612 17.021 6.127 1.00 0.65 C ATOM 450 O CYS A 34 7.644 15.808 6.286 1.00 0.62 O ATOM 451 CB CYS A 34 9.700 17.247 4.861 1.00 0.73 C ATOM 452 SG CYS A 34 9.095 17.717 3.220 1.00 1.08 S ATOM 0 H CYS A 34 9.762 16.971 7.742 1.00 0.70 H new ATOM 0 HA CYS A 34 8.575 18.845 5.849 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.732 17.581 4.965 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.708 16.160 4.935 1.00 0.73 H new ATOM 457 N PHE A 35 6.486 17.708 5.924 1.00 0.68 N ATOM 458 CA PHE A 35 5.203 17.068 5.921 1.00 0.67 C ATOM 459 C PHE A 35 4.869 16.793 4.490 1.00 0.64 C ATOM 460 O PHE A 35 4.545 17.711 3.735 1.00 0.63 O ATOM 461 CB PHE A 35 4.115 17.963 6.542 1.00 0.69 C ATOM 462 CG PHE A 35 4.654 19.188 7.210 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.614 19.078 8.189 1.00 0.98 C ATOM 464 CD2 PHE A 35 4.227 20.442 6.832 1.00 1.16 C ATOM 465 CE1 PHE A 35 6.143 20.196 8.782 1.00 1.21 C ATOM 466 CE2 PHE A 35 4.748 21.570 7.426 1.00 1.38 C ATOM 467 CZ PHE A 35 5.712 21.446 8.401 1.00 1.26 C ATOM 0 H PHE A 35 6.455 18.714 5.760 1.00 0.68 H new ATOM 0 HA PHE A 35 5.241 16.156 6.517 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.415 18.263 5.762 1.00 0.69 H new ATOM 0 HB3 PHE A 35 3.550 17.381 7.270 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.955 18.100 8.494 1.00 0.98 H new ATOM 0 HD2 PHE A 35 3.476 20.542 6.062 1.00 1.16 H new ATOM 0 HE1 PHE A 35 6.898 20.095 9.548 1.00 1.21 H new ATOM 0 HE2 PHE A 35 4.402 22.549 7.128 1.00 1.38 H new ATOM 0 HZ PHE A 35 6.129 22.327 8.866 1.00 1.26 H new ATOM 477 N VAL A 36 4.929 15.546 4.108 1.00 0.67 N ATOM 478 CA VAL A 36 4.611 15.209 2.762 1.00 0.68 C ATOM 479 C VAL A 36 3.161 14.807 2.713 1.00 0.71 C ATOM 480 O VAL A 36 2.806 13.635 2.789 1.00 0.74 O ATOM 481 CB VAL A 36 5.535 14.099 2.210 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.624 14.193 0.692 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.931 14.206 2.831 1.00 0.76 C ATOM 0 H VAL A 36 5.192 14.762 4.705 1.00 0.67 H new ATOM 0 HA VAL A 36 4.775 16.074 2.119 1.00 0.68 H new ATOM 0 HB VAL A 36 5.111 13.131 2.477 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.278 13.406 0.316 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.630 14.075 0.261 1.00 0.75 H new ATOM 0 HG13 VAL A 36 6.028 15.165 0.411 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.568 13.417 2.431 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.362 15.178 2.591 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.857 14.099 3.913 1.00 0.76 H new ATOM 493 N GLY A 37 2.333 15.834 2.607 1.00 0.71 N ATOM 494 CA GLY A 37 0.888 15.638 2.546 1.00 0.76 C ATOM 495 C GLY A 37 0.158 16.001 3.834 1.00 0.72 C ATOM 496 O GLY A 37 0.154 15.229 4.787 1.00 0.81 O ATOM 0 H GLY A 37 2.632 16.808 2.561 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.484 16.238 1.730 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.683 14.595 2.306 1.00 0.76 H new ATOM 500 N THR A 38 -0.482 17.171 3.832 1.00 0.68 N ATOM 501 CA THR A 38 -1.257 17.679 4.975 1.00 0.68 C ATOM 502 C THR A 38 -1.803 19.048 4.601 1.00 0.72 C ATOM 503 O THR A 38 -1.305 19.641 3.644 1.00 0.77 O ATOM 504 CB THR A 38 -0.383 17.781 6.231 1.00 0.72 C ATOM 505 OG1 THR A 38 -0.760 18.886 7.031 1.00 0.77 O ATOM 506 CG2 THR A 38 1.090 17.916 5.924 1.00 0.76 C ATOM 0 H THR A 38 -0.480 17.802 3.031 1.00 0.68 H new ATOM 0 HA THR A 38 -2.072 16.992 5.200 1.00 0.68 H new ATOM 0 HB THR A 38 -0.545 16.844 6.764 1.00 0.72 H new ATOM 0 HG1 THR A 38 -0.187 18.925 7.825 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.651 17.983 6.856 1.00 0.76 H new ATOM 0 HG22 THR A 38 1.426 17.045 5.361 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.258 18.817 5.334 1.00 0.76 H new ATOM 514 N ALA A 39 -2.822 19.586 5.285 1.00 0.77 N ATOM 515 CA ALA A 39 -3.346 20.892 4.908 1.00 0.86 C ATOM 516 C ALA A 39 -2.363 22.014 5.209 1.00 0.82 C ATOM 517 O ALA A 39 -2.325 23.022 4.507 1.00 0.86 O ATOM 518 CB ALA A 39 -4.647 21.149 5.661 1.00 1.02 C ATOM 0 H ALA A 39 -3.285 19.146 6.080 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.519 20.881 3.832 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -5.042 22.126 5.382 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -5.373 20.377 5.406 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -4.457 21.128 6.734 1.00 1.02 H new ATOM 524 N GLU A 40 -1.526 21.806 6.214 1.00 0.78 N ATOM 525 CA GLU A 40 -0.503 22.777 6.590 1.00 0.79 C ATOM 526 C GLU A 40 0.487 22.985 5.442 1.00 0.74 C ATOM 527 O GLU A 40 1.256 23.942 5.432 1.00 0.79 O ATOM 528 CB GLU A 40 0.201 22.295 7.860 1.00 0.82 C ATOM 529 CG GLU A 40 -0.351 22.929 9.127 1.00 1.25 C ATOM 530 CD GLU A 40 -0.665 21.910 10.204 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.289 21.340 10.776 1.00 2.32 O ATOM 532 OE2 GLU A 40 -1.861 21.683 10.476 1.00 1.91 O ATOM 0 H GLU A 40 -1.534 20.965 6.791 1.00 0.78 H new ATOM 0 HA GLU A 40 -0.967 23.742 6.793 1.00 0.79 H new ATOM 0 HB2 GLU A 40 0.105 21.212 7.932 1.00 0.82 H new ATOM 0 HB3 GLU A 40 1.266 22.517 7.784 1.00 0.82 H new ATOM 0 HG2 GLU A 40 0.372 23.648 9.513 1.00 1.25 H new ATOM 0 HG3 GLU A 40 -1.256 23.486 8.885 1.00 1.25 H new ATOM 539 N ALA A 41 0.410 22.092 4.464 1.00 0.70 N ATOM 540 CA ALA A 41 1.241 22.158 3.283 1.00 0.71 C ATOM 541 C ALA A 41 0.446 22.682 2.095 1.00 0.78 C ATOM 542 O ALA A 41 1.019 23.141 1.123 1.00 0.87 O ATOM 543 CB ALA A 41 1.829 20.790 2.968 1.00 0.77 C ATOM 0 H ALA A 41 -0.235 21.301 4.473 1.00 0.70 H new ATOM 0 HA ALA A 41 2.060 22.850 3.479 1.00 0.71 H new ATOM 0 HB1 ALA A 41 2.452 20.858 2.076 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.435 20.452 3.809 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.022 20.079 2.793 1.00 0.77 H new ATOM 549 N LEU A 42 -0.882 22.617 2.171 1.00 0.81 N ATOM 550 CA LEU A 42 -1.735 23.080 1.077 1.00 0.94 C ATOM 551 C LEU A 42 -1.310 24.455 0.546 1.00 1.05 C ATOM 552 O LEU A 42 -1.317 24.679 -0.661 1.00 1.23 O ATOM 553 CB LEU A 42 -3.205 23.076 1.507 1.00 0.98 C ATOM 554 CG LEU A 42 -4.011 21.873 1.005 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.124 21.517 1.981 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.586 22.157 -0.373 1.00 1.16 C ATOM 0 H LEU A 42 -1.390 22.250 2.976 1.00 0.81 H new ATOM 0 HA LEU A 42 -1.614 22.381 0.250 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.252 23.100 2.596 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -3.678 23.990 1.147 1.00 0.98 H new ATOM 0 HG LEU A 42 -3.336 21.020 0.933 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -5.681 20.660 1.601 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -4.692 21.268 2.950 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -5.797 22.367 2.091 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -5.155 21.293 -0.715 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -5.242 23.026 -0.322 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -3.774 22.356 -1.072 1.00 1.16 H new ATOM 568 N ARG A 43 -0.888 25.355 1.433 1.00 1.04 N ATOM 569 CA ARG A 43 -0.402 26.680 0.995 1.00 1.23 C ATOM 570 C ARG A 43 0.775 26.479 0.018 1.00 1.24 C ATOM 571 O ARG A 43 1.075 27.310 -0.835 1.00 1.46 O ATOM 572 CB ARG A 43 0.061 27.518 2.206 1.00 1.32 C ATOM 573 CG ARG A 43 0.655 26.703 3.351 1.00 1.34 C ATOM 574 CD ARG A 43 -0.386 26.331 4.407 1.00 1.50 C ATOM 575 NE ARG A 43 -1.198 27.469 4.842 1.00 1.88 N ATOM 576 CZ ARG A 43 -2.308 27.344 5.572 1.00 2.20 C ATOM 577 NH1 ARG A 43 -2.758 26.139 5.904 1.00 2.39 N ATOM 578 NH2 ARG A 43 -2.975 28.422 5.967 1.00 2.92 N ATOM 0 H ARG A 43 -0.869 25.204 2.442 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.213 27.215 0.500 1.00 1.23 H new ATOM 0 HB2 ARG A 43 0.803 28.241 1.869 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -0.789 28.086 2.584 1.00 1.32 H new ATOM 0 HG2 ARG A 43 1.103 25.793 2.951 1.00 1.34 H new ATOM 0 HG3 ARG A 43 1.457 27.273 3.821 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -1.041 25.558 4.006 1.00 1.50 H new ATOM 0 HD3 ARG A 43 0.120 25.902 5.272 1.00 1.50 H new ATOM 0 HE ARG A 43 -0.900 28.407 4.573 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -2.255 25.305 5.601 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -3.607 26.048 6.462 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -2.639 29.351 5.713 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -3.823 28.321 6.525 1.00 2.92 H new ATOM 592 N CYS A 44 1.355 25.299 0.170 1.00 1.08 N ATOM 593 CA CYS A 44 2.479 24.880 -0.682 1.00 1.15 C ATOM 594 C CYS A 44 2.043 24.889 -2.168 1.00 1.41 C ATOM 595 O CYS A 44 2.872 24.783 -3.073 1.00 1.57 O ATOM 596 CB CYS A 44 3.080 23.530 -0.291 1.00 1.04 C ATOM 597 SG CYS A 44 4.221 23.556 1.149 1.00 1.28 S ATOM 0 H CYS A 44 1.075 24.611 0.869 1.00 1.08 H new ATOM 0 HA CYS A 44 3.278 25.606 -0.529 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.265 22.839 -0.074 1.00 1.04 H new ATOM 0 HB3 CYS A 44 3.617 23.129 -1.150 1.00 1.04 H new ATOM 602 N GLN A 45 0.730 25.040 -2.404 1.00 1.55 N ATOM 603 CA GLN A 45 0.177 25.089 -3.764 1.00 1.86 C ATOM 604 C GLN A 45 0.415 26.455 -4.426 1.00 2.09 C ATOM 605 O GLN A 45 0.368 26.587 -5.657 1.00 2.35 O ATOM 606 CB GLN A 45 -1.327 24.792 -3.743 1.00 1.97 C ATOM 607 CG GLN A 45 -1.758 23.766 -4.778 1.00 2.40 C ATOM 608 CD GLN A 45 -1.972 24.371 -6.152 1.00 2.73 C ATOM 609 OE1 GLN A 45 -3.006 24.985 -6.420 1.00 3.31 O ATOM 610 NE2 GLN A 45 -0.993 24.200 -7.034 1.00 3.02 N ATOM 0 H GLN A 45 0.031 25.130 -1.667 1.00 1.55 H new ATOM 0 HA GLN A 45 0.694 24.328 -4.349 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -1.605 24.434 -2.751 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -1.875 25.719 -3.912 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -1.002 22.984 -4.844 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -2.681 23.290 -4.448 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -0.153 23.685 -6.770 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -1.081 24.584 -7.975 1.00 3.02 H new ATOM 619 N GLU A 46 0.696 27.474 -3.622 1.00 2.07 N ATOM 620 CA GLU A 46 0.928 28.795 -4.182 1.00 2.35 C ATOM 621 C GLU A 46 2.378 28.948 -4.595 1.00 2.34 C ATOM 622 O GLU A 46 2.816 30.034 -4.978 1.00 2.50 O ATOM 623 CB GLU A 46 0.554 29.890 -3.179 1.00 2.41 C ATOM 624 CG GLU A 46 -0.939 29.996 -2.916 1.00 2.80 C ATOM 625 CD GLU A 46 -1.626 30.987 -3.837 1.00 3.19 C ATOM 626 OE1 GLU A 46 -1.437 32.206 -3.644 1.00 3.53 O ATOM 627 OE2 GLU A 46 -2.357 30.543 -4.748 1.00 3.69 O ATOM 0 H GLU A 46 0.767 27.413 -2.606 1.00 2.07 H new ATOM 0 HA GLU A 46 0.294 28.901 -5.062 1.00 2.35 H new ATOM 0 HB2 GLU A 46 1.067 29.697 -2.237 1.00 2.41 H new ATOM 0 HB3 GLU A 46 0.917 30.849 -3.549 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -1.396 29.014 -3.039 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.101 30.296 -1.881 1.00 2.80 H new ATOM 634 N GLU A 47 3.110 27.836 -4.587 1.00 2.22 N ATOM 635 CA GLU A 47 4.485 27.854 -5.020 1.00 2.31 C ATOM 636 C GLU A 47 4.523 27.797 -6.543 1.00 2.34 C ATOM 637 O GLU A 47 5.595 27.774 -7.148 1.00 2.42 O ATOM 638 CB GLU A 47 5.256 26.677 -4.419 1.00 2.37 C ATOM 639 CG GLU A 47 6.378 27.097 -3.485 1.00 2.96 C ATOM 640 CD GLU A 47 7.483 26.062 -3.405 1.00 3.45 C ATOM 641 OE1 GLU A 47 7.254 24.996 -2.796 1.00 3.99 O ATOM 642 OE2 GLU A 47 8.577 26.318 -3.952 1.00 3.68 O ATOM 0 H GLU A 47 2.768 26.923 -4.286 1.00 2.22 H new ATOM 0 HA GLU A 47 4.961 28.772 -4.677 1.00 2.31 H new ATOM 0 HB2 GLU A 47 4.561 26.039 -3.874 1.00 2.37 H new ATOM 0 HB3 GLU A 47 5.673 26.076 -5.227 1.00 2.37 H new ATOM 0 HG2 GLU A 47 6.795 28.044 -3.826 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.972 27.268 -2.488 1.00 2.96 H new ATOM 769 N SER A 56 18.642 27.245 -2.502 1.00 2.28 N ATOM 770 CA SER A 56 19.390 26.745 -1.343 1.00 2.07 C ATOM 771 C SER A 56 18.683 25.538 -0.734 1.00 1.82 C ATOM 772 O SER A 56 17.988 25.657 0.274 1.00 2.22 O ATOM 773 CB SER A 56 19.528 27.834 -0.289 1.00 2.60 C ATOM 774 OG SER A 56 20.706 27.663 0.479 1.00 3.12 O ATOM 0 HA SER A 56 20.382 26.447 -1.682 1.00 2.07 H new ATOM 0 HB2 SER A 56 19.546 28.811 -0.773 1.00 2.60 H new ATOM 0 HB3 SER A 56 18.658 27.819 0.368 1.00 2.60 H new ATOM 0 HG SER A 56 20.768 28.378 1.146 1.00 3.12 H new ATOM 780 N GLY A 57 18.869 24.375 -1.350 1.00 1.58 N ATOM 781 CA GLY A 57 18.250 23.160 -0.882 1.00 1.86 C ATOM 782 C GLY A 57 18.278 22.146 -1.994 1.00 1.68 C ATOM 783 O GLY A 57 17.292 21.466 -2.268 1.00 2.10 O ATOM 0 H GLY A 57 19.450 24.258 -2.180 1.00 1.58 H new ATOM 0 HA2 GLY A 57 18.779 22.778 -0.009 1.00 1.86 H new ATOM 0 HA3 GLY A 57 17.223 23.354 -0.573 1.00 1.86 H new ATOM 787 N GLN A 58 19.434 22.064 -2.635 1.00 1.37 N ATOM 788 CA GLN A 58 19.653 21.165 -3.738 1.00 1.46 C ATOM 789 C GLN A 58 20.756 20.203 -3.373 1.00 1.08 C ATOM 790 O GLN A 58 21.919 20.376 -3.714 1.00 1.00 O ATOM 791 CB GLN A 58 20.005 21.939 -5.008 1.00 1.97 C ATOM 792 CG GLN A 58 21.144 22.925 -4.826 1.00 2.80 C ATOM 793 CD GLN A 58 21.702 23.412 -6.147 1.00 3.61 C ATOM 794 OE1 GLN A 58 22.116 22.616 -6.990 1.00 3.96 O ATOM 795 NE2 GLN A 58 21.714 24.726 -6.335 1.00 4.36 N ATOM 0 H GLN A 58 20.249 22.629 -2.395 1.00 1.37 H new ATOM 0 HA GLN A 58 18.738 20.608 -3.938 1.00 1.46 H new ATOM 0 HB2 GLN A 58 20.271 21.231 -5.792 1.00 1.97 H new ATOM 0 HB3 GLN A 58 19.122 22.477 -5.351 1.00 1.97 H new ATOM 0 HG2 GLN A 58 20.793 23.779 -4.246 1.00 2.80 H new ATOM 0 HG3 GLN A 58 21.940 22.454 -4.250 1.00 2.80 H new ATOM 0 HE21 GLN A 58 21.361 25.348 -5.608 1.00 4.36 H new ATOM 0 HE22 GLN A 58 22.077 25.113 -7.206 1.00 4.36 H new ATOM 804 N LYS A 59 20.342 19.162 -2.725 1.00 1.17 N ATOM 805 CA LYS A 59 21.224 18.115 -2.250 1.00 1.13 C ATOM 806 C LYS A 59 20.501 16.846 -2.569 1.00 0.95 C ATOM 807 O LYS A 59 19.952 16.163 -1.714 1.00 0.88 O ATOM 808 CB LYS A 59 21.398 18.229 -0.721 1.00 1.54 C ATOM 809 CG LYS A 59 22.389 17.246 -0.118 1.00 1.90 C ATOM 810 CD LYS A 59 23.461 17.966 0.682 1.00 2.17 C ATOM 811 CE LYS A 59 24.591 18.446 -0.214 1.00 2.82 C ATOM 812 NZ LYS A 59 25.387 17.310 -0.750 1.00 3.55 N ATOM 0 H LYS A 59 19.360 19.001 -2.500 1.00 1.17 H new ATOM 0 HA LYS A 59 22.213 18.168 -2.704 1.00 1.13 H new ATOM 0 HB2 LYS A 59 21.720 19.242 -0.480 1.00 1.54 H new ATOM 0 HB3 LYS A 59 20.428 18.082 -0.247 1.00 1.54 H new ATOM 0 HG2 LYS A 59 21.861 16.543 0.527 1.00 1.90 H new ATOM 0 HG3 LYS A 59 22.855 16.662 -0.912 1.00 1.90 H new ATOM 0 HD2 LYS A 59 23.020 18.817 1.202 1.00 2.17 H new ATOM 0 HD3 LYS A 59 23.859 17.297 1.445 1.00 2.17 H new ATOM 0 HE2 LYS A 59 24.179 19.024 -1.041 1.00 2.82 H new ATOM 0 HE3 LYS A 59 25.243 19.114 0.349 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 26.330 17.648 -1.030 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 25.485 16.579 -0.017 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 24.903 16.907 -1.578 1.00 3.55 H new ATOM 826 N PRO A 60 20.423 16.585 -3.898 1.00 1.06 N ATOM 827 CA PRO A 60 19.702 15.452 -4.434 1.00 1.15 C ATOM 828 C PRO A 60 20.358 14.095 -4.192 1.00 1.10 C ATOM 829 O PRO A 60 21.147 13.591 -4.992 1.00 1.23 O ATOM 830 CB PRO A 60 19.590 15.754 -5.932 1.00 1.48 C ATOM 831 CG PRO A 60 20.745 16.645 -6.227 1.00 1.54 C ATOM 832 CD PRO A 60 20.966 17.451 -4.976 1.00 1.30 C ATOM 0 HA PRO A 60 18.741 15.349 -3.930 1.00 1.15 H new ATOM 0 HB2 PRO A 60 19.634 14.840 -6.524 1.00 1.48 H new ATOM 0 HB3 PRO A 60 18.644 16.241 -6.168 1.00 1.48 H new ATOM 0 HG2 PRO A 60 21.632 16.065 -6.481 1.00 1.54 H new ATOM 0 HG3 PRO A 60 20.533 17.292 -7.078 1.00 1.54 H new ATOM 0 HD2 PRO A 60 22.023 17.668 -4.821 1.00 1.30 H new ATOM 0 HD3 PRO A 60 20.447 18.409 -5.020 1.00 1.30 H new ATOM 840 N CYS A 61 19.951 13.513 -3.086 1.00 1.08 N ATOM 841 CA CYS A 61 20.361 12.187 -2.650 1.00 1.13 C ATOM 842 C CYS A 61 19.192 11.248 -2.918 1.00 1.36 C ATOM 843 O CYS A 61 18.202 11.666 -3.520 1.00 1.54 O ATOM 844 CB CYS A 61 20.769 12.168 -1.174 1.00 1.30 C ATOM 845 SG CYS A 61 19.387 12.012 -0.015 1.00 1.59 S ATOM 0 H CYS A 61 19.302 13.962 -2.439 1.00 1.08 H new ATOM 0 HA CYS A 61 21.245 11.868 -3.201 1.00 1.13 H new ATOM 0 HB2 CYS A 61 21.458 11.340 -1.011 1.00 1.30 H new ATOM 0 HB3 CYS A 61 21.314 13.085 -0.949 1.00 1.30 H new ATOM 850 N GLY A 62 19.262 10.002 -2.462 1.00 1.60 N ATOM 851 CA GLY A 62 18.120 9.123 -2.664 1.00 1.92 C ATOM 852 C GLY A 62 17.678 9.081 -4.110 1.00 2.10 C ATOM 853 O GLY A 62 18.415 9.515 -4.994 1.00 2.43 O ATOM 0 H GLY A 62 20.058 9.593 -1.973 1.00 1.60 H new ATOM 0 HA2 GLY A 62 18.377 8.116 -2.335 1.00 1.92 H new ATOM 0 HA3 GLY A 62 17.290 9.460 -2.042 1.00 1.92 H new ATOM 857 N SER A 63 16.488 8.546 -4.364 1.00 2.43 N ATOM 858 CA SER A 63 16.002 8.455 -5.727 1.00 2.98 C ATOM 859 C SER A 63 15.585 9.829 -6.252 1.00 2.74 C ATOM 860 O SER A 63 14.409 10.072 -6.524 1.00 3.32 O ATOM 861 CB SER A 63 14.815 7.494 -5.799 1.00 3.86 C ATOM 862 OG SER A 63 14.542 7.114 -7.136 1.00 4.11 O ATOM 0 H SER A 63 15.855 8.176 -3.655 1.00 2.43 H new ATOM 0 HA SER A 63 16.812 8.077 -6.351 1.00 2.98 H new ATOM 0 HB2 SER A 63 15.026 6.607 -5.202 1.00 3.86 H new ATOM 0 HB3 SER A 63 13.934 7.968 -5.366 1.00 3.86 H new ATOM 0 HG SER A 63 13.780 6.498 -7.152 1.00 4.11 H new ATOM 868 N GLY A 64 16.562 10.711 -6.408 1.00 2.15 N ATOM 869 CA GLY A 64 16.289 12.023 -6.925 1.00 2.11 C ATOM 870 C GLY A 64 15.818 13.066 -5.922 1.00 1.92 C ATOM 871 O GLY A 64 15.373 14.131 -6.365 1.00 2.21 O ATOM 0 H GLY A 64 17.541 10.534 -6.183 1.00 2.15 H new ATOM 0 HA2 GLY A 64 17.194 12.396 -7.404 1.00 2.11 H new ATOM 0 HA3 GLY A 64 15.531 11.932 -7.703 1.00 2.11 H new ATOM 875 N GLY A 65 15.817 12.847 -4.604 1.00 1.62 N ATOM 876 CA GLY A 65 15.301 13.902 -3.774 1.00 1.62 C ATOM 877 C GLY A 65 16.369 14.756 -3.127 1.00 1.43 C ATOM 878 O GLY A 65 17.402 14.263 -2.676 1.00 1.62 O ATOM 0 H GLY A 65 16.145 12.007 -4.128 1.00 1.62 H new ATOM 0 HA2 GLY A 65 14.655 14.541 -4.376 1.00 1.62 H new ATOM 0 HA3 GLY A 65 14.678 13.464 -2.994 1.00 1.62 H new ATOM 882 N ARG A 66 16.107 16.067 -3.151 1.00 1.17 N ATOM 883 CA ARG A 66 17.015 17.071 -2.615 1.00 1.03 C ATOM 884 C ARG A 66 16.607 17.544 -1.220 1.00 0.94 C ATOM 885 O ARG A 66 15.434 17.505 -0.857 1.00 1.04 O ATOM 886 CB ARG A 66 17.155 18.271 -3.558 1.00 1.10 C ATOM 887 CG ARG A 66 15.832 18.897 -3.985 1.00 1.26 C ATOM 888 CD ARG A 66 15.287 18.284 -5.267 1.00 1.41 C ATOM 889 NE ARG A 66 15.948 18.815 -6.459 1.00 1.78 N ATOM 890 CZ ARG A 66 15.307 19.202 -7.565 1.00 2.30 C ATOM 891 NH1 ARG A 66 13.981 19.165 -7.629 1.00 2.55 N ATOM 892 NH2 ARG A 66 15.999 19.632 -8.611 1.00 3.02 N ATOM 0 H ARG A 66 15.252 16.458 -3.547 1.00 1.17 H new ATOM 0 HA ARG A 66 17.985 16.582 -2.529 1.00 1.03 H new ATOM 0 HB2 ARG A 66 17.762 19.033 -3.069 1.00 1.10 H new ATOM 0 HB3 ARG A 66 17.698 17.955 -4.449 1.00 1.10 H new ATOM 0 HG2 ARG A 66 15.100 18.773 -3.187 1.00 1.26 H new ATOM 0 HG3 ARG A 66 15.970 19.969 -4.128 1.00 1.26 H new ATOM 0 HD2 ARG A 66 15.416 17.202 -5.234 1.00 1.41 H new ATOM 0 HD3 ARG A 66 14.216 18.475 -5.332 1.00 1.41 H new ATOM 0 HE ARG A 66 16.965 18.895 -6.445 1.00 1.78 H new ATOM 0 HH11 ARG A 66 13.441 18.838 -6.828 1.00 2.55 H new ATOM 0 HH12 ARG A 66 13.503 19.463 -8.479 1.00 2.55 H new ATOM 0 HH21 ARG A 66 17.018 19.666 -8.569 1.00 3.02 H new ATOM 0 HH22 ARG A 66 15.513 19.928 -9.457 1.00 3.02 H new ATOM 906 N CYS A 67 17.596 17.991 -0.448 1.00 0.87 N ATOM 907 CA CYS A 67 17.394 18.461 0.885 1.00 0.87 C ATOM 908 C CYS A 67 16.298 19.504 0.930 1.00 0.88 C ATOM 909 O CYS A 67 16.483 20.639 0.492 1.00 0.93 O ATOM 910 CB CYS A 67 18.707 19.058 1.402 1.00 0.93 C ATOM 911 SG CYS A 67 18.684 19.590 3.143 1.00 1.52 S ATOM 0 H CYS A 67 18.568 18.030 -0.753 1.00 0.87 H new ATOM 0 HA CYS A 67 17.088 17.626 1.516 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.498 18.319 1.275 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.968 19.915 0.780 1.00 0.93 H new ATOM 916 N ALA A 68 15.168 19.121 1.492 1.00 0.91 N ATOM 917 CA ALA A 68 14.051 20.028 1.625 1.00 0.98 C ATOM 918 C ALA A 68 14.031 20.577 3.030 1.00 0.98 C ATOM 919 O ALA A 68 13.606 21.710 3.263 1.00 1.07 O ATOM 920 CB ALA A 68 12.741 19.332 1.294 1.00 0.98 C ATOM 0 H ALA A 68 15.002 18.186 1.864 1.00 0.91 H new ATOM 0 HA ALA A 68 14.167 20.849 0.918 1.00 0.98 H new ATOM 0 HB1 ALA A 68 11.917 20.037 1.402 1.00 0.98 H new ATOM 0 HB2 ALA A 68 12.773 18.966 0.268 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.593 18.493 1.974 1.00 0.98 H new ATOM 926 N ALA A 69 14.449 19.749 3.981 1.00 0.92 N ATOM 927 CA ALA A 69 14.424 20.188 5.382 1.00 0.96 C ATOM 928 C ALA A 69 15.336 19.381 6.249 1.00 0.92 C ATOM 929 O ALA A 69 15.819 18.329 5.854 1.00 0.87 O ATOM 930 CB ALA A 69 13.038 20.186 5.982 1.00 1.00 C ATOM 0 H ALA A 69 14.798 18.804 3.824 1.00 0.92 H new ATOM 0 HA ALA A 69 14.780 21.218 5.354 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.090 20.520 7.018 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.395 20.859 5.415 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.628 19.177 5.946 1.00 1.00 H new ATOM 936 N ALA A 70 15.591 19.905 7.435 1.00 0.98 N ATOM 937 CA ALA A 70 16.477 19.244 8.372 1.00 1.00 C ATOM 938 C ALA A 70 16.293 17.732 8.303 1.00 1.04 C ATOM 939 O ALA A 70 15.401 17.161 8.928 1.00 1.24 O ATOM 940 CB ALA A 70 16.287 19.745 9.792 1.00 1.15 C ATOM 0 H ALA A 70 15.197 20.784 7.770 1.00 0.98 H new ATOM 0 HA ALA A 70 17.499 19.489 8.082 1.00 1.00 H new ATOM 0 HB1 ALA A 70 16.972 19.220 10.458 1.00 1.15 H new ATOM 0 HB2 ALA A 70 16.491 20.815 9.831 1.00 1.15 H new ATOM 0 HB3 ALA A 70 15.261 19.560 10.109 1.00 1.15 H new ATOM 946 N GLY A 71 17.170 17.103 7.551 1.00 1.15 N ATOM 947 CA GLY A 71 17.145 15.675 7.392 1.00 1.27 C ATOM 948 C GLY A 71 16.367 15.192 6.183 1.00 1.21 C ATOM 949 O GLY A 71 16.395 13.996 5.886 1.00 1.28 O ATOM 0 H GLY A 71 17.916 17.570 7.036 1.00 1.15 H new ATOM 0 HA2 GLY A 71 18.170 15.312 7.318 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.713 15.229 8.288 1.00 1.27 H new ATOM 953 N ILE A 72 15.574 16.050 5.525 1.00 1.12 N ATOM 954 CA ILE A 72 14.732 15.619 4.407 1.00 1.08 C ATOM 955 C ILE A 72 15.437 15.822 3.101 1.00 1.03 C ATOM 956 O ILE A 72 15.894 16.912 2.770 1.00 1.36 O ATOM 957 CB ILE A 72 13.436 16.479 4.329 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.980 16.888 5.723 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.336 15.721 3.609 1.00 2.27 C ATOM 960 CD1 ILE A 72 13.047 15.740 6.667 1.00 0.92 C ATOM 0 H ILE A 72 15.500 17.042 5.749 1.00 1.12 H new ATOM 0 HA ILE A 72 14.503 14.567 4.577 1.00 1.08 H new ATOM 0 HB ILE A 72 13.658 17.383 3.762 1.00 1.52 H new ATOM 0 HG12 ILE A 72 13.606 17.701 6.090 1.00 1.09 H new ATOM 0 HG13 ILE A 72 11.959 17.267 5.678 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.438 16.338 3.564 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.662 15.481 2.597 1.00 2.27 H new ATOM 0 HG23 ILE A 72 12.116 14.799 4.148 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.716 16.061 7.655 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.401 14.938 6.311 1.00 0.92 H new ATOM 0 HD13 ILE A 72 14.074 15.379 6.728 1.00 0.92 H new ATOM 972 N CYS A 73 15.524 14.742 2.374 1.00 0.82 N ATOM 973 CA CYS A 73 16.172 14.728 1.104 1.00 1.07 C ATOM 974 C CYS A 73 15.184 14.293 0.044 1.00 1.08 C ATOM 975 O CYS A 73 14.993 13.093 -0.169 1.00 1.21 O ATOM 976 CB CYS A 73 17.330 13.762 1.202 1.00 1.19 C ATOM 977 SG CYS A 73 18.488 13.813 -0.171 1.00 1.98 S ATOM 0 H CYS A 73 15.141 13.840 2.656 1.00 0.82 H new ATOM 0 HA CYS A 73 16.540 15.717 0.829 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.875 13.966 2.124 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.932 12.750 1.284 1.00 1.19 H new ATOM 982 N CYS A 74 14.510 15.247 -0.590 1.00 0.98 N ATOM 983 CA CYS A 74 13.514 14.865 -1.559 1.00 0.99 C ATOM 984 C CYS A 74 13.122 15.930 -2.571 1.00 1.15 C ATOM 985 O CYS A 74 13.671 17.030 -2.616 1.00 1.33 O ATOM 986 CB CYS A 74 12.288 14.389 -0.826 1.00 1.13 C ATOM 987 SG CYS A 74 11.706 15.463 0.521 1.00 1.32 S ATOM 0 H CYS A 74 14.634 16.250 -0.452 1.00 0.98 H new ATOM 0 HA CYS A 74 13.975 14.079 -2.157 1.00 0.99 H new ATOM 0 HB2 CYS A 74 11.479 14.271 -1.547 1.00 1.13 H new ATOM 0 HB3 CYS A 74 12.494 13.401 -0.414 1.00 1.13 H new ATOM 992 N SER A 75 12.138 15.544 -3.381 1.00 1.14 N ATOM 993 CA SER A 75 11.580 16.368 -4.441 1.00 1.36 C ATOM 994 C SER A 75 10.077 16.525 -4.208 1.00 1.28 C ATOM 995 O SER A 75 9.555 16.000 -3.225 1.00 1.10 O ATOM 996 CB SER A 75 11.860 15.683 -5.783 1.00 1.46 C ATOM 997 OG SER A 75 11.602 14.293 -5.701 1.00 1.99 O ATOM 0 H SER A 75 11.699 14.626 -3.313 1.00 1.14 H new ATOM 0 HA SER A 75 12.033 17.359 -4.447 1.00 1.36 H new ATOM 0 HB2 SER A 75 11.238 16.128 -6.560 1.00 1.46 H new ATOM 0 HB3 SER A 75 12.898 15.848 -6.071 1.00 1.46 H new ATOM 0 HG SER A 75 11.645 13.899 -6.597 1.00 1.99 H new ATOM 1003 N PRO A 76 9.350 17.252 -5.074 1.00 1.46 N ATOM 1004 CA PRO A 76 7.908 17.451 -4.892 1.00 1.42 C ATOM 1005 C PRO A 76 7.080 16.193 -5.186 1.00 1.18 C ATOM 1006 O PRO A 76 5.932 16.286 -5.622 1.00 1.22 O ATOM 1007 CB PRO A 76 7.571 18.558 -5.892 1.00 1.74 C ATOM 1008 CG PRO A 76 8.611 18.447 -6.949 1.00 1.86 C ATOM 1009 CD PRO A 76 9.860 17.966 -6.263 1.00 1.77 C ATOM 0 HA PRO A 76 7.670 17.698 -3.857 1.00 1.42 H new ATOM 0 HB2 PRO A 76 6.571 18.426 -6.306 1.00 1.74 H new ATOM 0 HB3 PRO A 76 7.593 19.539 -5.418 1.00 1.74 H new ATOM 0 HG2 PRO A 76 8.302 17.749 -7.727 1.00 1.86 H new ATOM 0 HG3 PRO A 76 8.779 19.410 -7.432 1.00 1.86 H new ATOM 0 HD2 PRO A 76 10.443 17.307 -6.907 1.00 1.77 H new ATOM 0 HD3 PRO A 76 10.509 18.796 -5.984 1.00 1.77 H new ATOM 1017 N ASP A 77 7.663 15.016 -4.927 1.00 0.99 N ATOM 1018 CA ASP A 77 6.975 13.741 -5.138 1.00 0.91 C ATOM 1019 C ASP A 77 7.183 12.815 -3.932 1.00 0.82 C ATOM 1020 O ASP A 77 6.221 12.412 -3.274 1.00 0.90 O ATOM 1021 CB ASP A 77 7.462 13.065 -6.425 1.00 1.16 C ATOM 1022 CG ASP A 77 8.975 13.047 -6.547 1.00 1.92 C ATOM 1023 OD1 ASP A 77 9.620 12.252 -5.832 1.00 2.50 O ATOM 1024 OD2 ASP A 77 9.513 13.828 -7.360 1.00 2.65 O ATOM 0 H ASP A 77 8.614 14.923 -4.570 1.00 0.99 H new ATOM 0 HA ASP A 77 5.909 13.941 -5.243 1.00 0.91 H new ATOM 0 HB2 ASP A 77 7.088 12.042 -6.456 1.00 1.16 H new ATOM 0 HB3 ASP A 77 7.039 13.585 -7.285 1.00 1.16 H new ATOM 1029 N GLY A 78 8.441 12.491 -3.640 1.00 0.88 N ATOM 1030 CA GLY A 78 8.736 11.642 -2.509 1.00 0.87 C ATOM 1031 C GLY A 78 9.716 12.299 -1.553 1.00 0.86 C ATOM 1032 O GLY A 78 10.084 13.449 -1.766 1.00 0.99 O ATOM 0 H GLY A 78 9.256 12.803 -4.168 1.00 0.88 H new ATOM 0 HA2 GLY A 78 7.813 11.408 -1.979 1.00 0.87 H new ATOM 0 HA3 GLY A 78 9.150 10.697 -2.862 1.00 0.87 H new ATOM 1036 N CYS A 79 10.148 11.573 -0.513 1.00 0.79 N ATOM 1037 CA CYS A 79 11.101 12.121 0.458 1.00 0.80 C ATOM 1038 C CYS A 79 11.997 11.035 1.054 1.00 0.78 C ATOM 1039 O CYS A 79 11.661 9.857 0.995 1.00 0.89 O ATOM 1040 CB CYS A 79 10.374 12.897 1.557 1.00 0.94 C ATOM 1041 SG CYS A 79 9.944 14.614 1.094 1.00 1.34 S ATOM 0 H CYS A 79 9.855 10.614 -0.324 1.00 0.79 H new ATOM 0 HA CYS A 79 11.749 12.814 -0.079 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.461 12.363 1.822 1.00 0.94 H new ATOM 0 HB3 CYS A 79 11.001 12.918 2.448 1.00 0.94 H new ATOM 1046 N HIS A 80 13.156 11.414 1.632 1.00 0.71 N ATOM 1047 CA HIS A 80 14.060 10.412 2.198 1.00 0.76 C ATOM 1048 C HIS A 80 14.849 10.962 3.379 1.00 0.70 C ATOM 1049 O HIS A 80 15.320 12.098 3.350 1.00 0.67 O ATOM 1050 CB HIS A 80 15.048 9.929 1.130 1.00 0.87 C ATOM 1051 CG HIS A 80 14.403 9.305 -0.069 1.00 0.99 C ATOM 1052 ND1 HIS A 80 14.066 10.017 -1.201 1.00 1.64 N ATOM 1053 CD2 HIS A 80 14.047 8.022 -0.316 1.00 1.76 C ATOM 1054 CE1 HIS A 80 13.531 9.199 -2.090 1.00 2.09 C ATOM 1055 NE2 HIS A 80 13.510 7.983 -1.578 1.00 2.17 N ATOM 0 H HIS A 80 13.475 12.379 1.714 1.00 0.71 H new ATOM 0 HA HIS A 80 13.443 9.584 2.547 1.00 0.76 H new ATOM 0 HB2 HIS A 80 15.654 10.774 0.803 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.727 9.205 1.581 1.00 0.87 H new ATOM 0 HD2 HIS A 80 14.164 7.185 0.356 1.00 1.76 H new ATOM 0 HE1 HIS A 80 13.172 9.478 -3.070 1.00 2.09 H new ATOM 0 HE2 HIS A 80 13.153 7.149 -2.045 1.00 2.17 H new ATOM 1064 N GLU A 81 15.010 10.135 4.405 1.00 0.75 N ATOM 1065 CA GLU A 81 15.771 10.524 5.578 1.00 0.77 C ATOM 1066 C GLU A 81 17.228 10.742 5.196 1.00 0.72 C ATOM 1067 O GLU A 81 17.856 9.872 4.597 1.00 0.92 O ATOM 1068 CB GLU A 81 15.666 9.446 6.661 1.00 0.94 C ATOM 1069 CG GLU A 81 14.617 9.741 7.720 1.00 1.70 C ATOM 1070 CD GLU A 81 14.917 9.058 9.040 1.00 2.35 C ATOM 1071 OE1 GLU A 81 15.729 9.603 9.818 1.00 3.05 O ATOM 1072 OE2 GLU A 81 14.341 7.980 9.297 1.00 2.71 O ATOM 0 H GLU A 81 14.623 9.192 4.445 1.00 0.75 H new ATOM 0 HA GLU A 81 15.362 11.454 5.973 1.00 0.77 H new ATOM 0 HB2 GLU A 81 15.434 8.491 6.189 1.00 0.94 H new ATOM 0 HB3 GLU A 81 16.636 9.335 7.145 1.00 0.94 H new ATOM 0 HG2 GLU A 81 14.557 10.818 7.877 1.00 1.70 H new ATOM 0 HG3 GLU A 81 13.641 9.416 7.360 1.00 1.70 H new ATOM 1079 N ASP A 82 17.757 11.914 5.525 1.00 0.76 N ATOM 1080 CA ASP A 82 19.143 12.238 5.192 1.00 0.77 C ATOM 1081 C ASP A 82 19.831 12.997 6.344 1.00 0.96 C ATOM 1082 O ASP A 82 19.531 14.158 6.600 1.00 1.21 O ATOM 1083 CB ASP A 82 19.157 13.040 3.881 1.00 0.86 C ATOM 1084 CG ASP A 82 19.266 14.543 4.082 1.00 1.34 C ATOM 1085 OD1 ASP A 82 20.382 15.024 4.369 1.00 2.02 O ATOM 1086 OD2 ASP A 82 18.234 15.234 3.953 1.00 1.82 O ATOM 0 H ASP A 82 17.254 12.652 6.018 1.00 0.76 H new ATOM 0 HA ASP A 82 19.714 11.320 5.051 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.994 12.703 3.269 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.246 12.823 3.323 1.00 0.86 H new ATOM 1091 N PRO A 83 20.755 12.333 7.072 1.00 1.15 N ATOM 1092 CA PRO A 83 21.463 12.937 8.217 1.00 1.42 C ATOM 1093 C PRO A 83 22.335 14.142 7.855 1.00 1.28 C ATOM 1094 O PRO A 83 22.627 14.974 8.714 1.00 1.40 O ATOM 1095 CB PRO A 83 22.344 11.798 8.744 1.00 1.81 C ATOM 1096 CG PRO A 83 21.753 10.550 8.184 1.00 1.93 C ATOM 1097 CD PRO A 83 21.160 10.933 6.860 1.00 1.42 C ATOM 0 HA PRO A 83 20.747 13.331 8.938 1.00 1.42 H new ATOM 0 HB2 PRO A 83 23.379 11.921 8.424 1.00 1.81 H new ATOM 0 HB3 PRO A 83 22.348 11.776 9.834 1.00 1.81 H new ATOM 0 HG2 PRO A 83 22.513 9.778 8.063 1.00 1.93 H new ATOM 0 HG3 PRO A 83 20.991 10.145 8.851 1.00 1.93 H new ATOM 0 HD2 PRO A 83 21.885 10.840 6.051 1.00 1.42 H new ATOM 0 HD3 PRO A 83 20.310 10.302 6.600 1.00 1.42 H new ATOM 1105 N ALA A 84 22.768 14.230 6.602 1.00 1.13 N ATOM 1106 CA ALA A 84 23.615 15.342 6.174 1.00 1.17 C ATOM 1107 C ALA A 84 22.886 16.683 6.261 1.00 1.20 C ATOM 1108 O ALA A 84 23.504 17.741 6.133 1.00 1.53 O ATOM 1109 CB ALA A 84 24.150 15.109 4.767 1.00 1.21 C ATOM 0 H ALA A 84 22.551 13.553 5.870 1.00 1.13 H new ATOM 0 HA ALA A 84 24.460 15.386 6.862 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.777 15.950 4.472 1.00 1.21 H new ATOM 0 HB2 ALA A 84 24.740 14.193 4.749 1.00 1.21 H new ATOM 0 HB3 ALA A 84 23.316 15.017 4.071 1.00 1.21 H new ATOM 1115 N CYS A 85 21.574 16.639 6.481 1.00 1.02 N ATOM 1116 CA CYS A 85 20.775 17.857 6.592 1.00 1.19 C ATOM 1117 C CYS A 85 19.942 17.855 7.854 1.00 1.46 C ATOM 1118 O CYS A 85 19.078 18.698 7.992 1.00 1.88 O ATOM 1119 CB CYS A 85 19.771 17.989 5.432 1.00 1.15 C ATOM 1120 SG CYS A 85 20.389 18.803 3.926 1.00 1.42 S ATOM 0 H CYS A 85 21.042 15.775 6.586 1.00 1.02 H new ATOM 0 HA CYS A 85 21.493 18.677 6.586 1.00 1.19 H new ATOM 0 HB2 CYS A 85 19.423 16.991 5.164 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.904 18.544 5.790 1.00 1.15 H new ATOM 1125 N ASP A 86 20.152 16.915 8.760 1.00 1.53 N ATOM 1126 CA ASP A 86 19.295 16.865 9.947 1.00 1.90 C ATOM 1127 C ASP A 86 19.580 17.987 10.920 1.00 1.82 C ATOM 1128 O ASP A 86 18.680 18.724 11.311 1.00 2.29 O ATOM 1129 CB ASP A 86 19.377 15.511 10.654 1.00 2.43 C ATOM 1130 CG ASP A 86 18.001 15.011 11.060 1.00 3.07 C ATOM 1131 OD1 ASP A 86 17.501 15.450 12.117 1.00 3.47 O ATOM 1132 OD2 ASP A 86 17.420 14.194 10.316 1.00 3.60 O ATOM 0 H ASP A 86 20.877 16.199 8.709 1.00 1.53 H new ATOM 0 HA ASP A 86 18.276 16.999 9.583 1.00 1.90 H new ATOM 0 HB2 ASP A 86 19.850 14.783 9.995 1.00 2.43 H new ATOM 0 HB3 ASP A 86 20.009 15.598 11.538 1.00 2.43 H new ATOM 1363 N CYS B 110 -4.328 2.860 13.283 1.00 2.52 N ATOM 1364 CA CYS B 110 -2.970 3.275 13.611 1.00 1.89 C ATOM 1365 C CYS B 110 -2.954 4.463 14.566 1.00 1.69 C ATOM 1366 O CYS B 110 -3.369 5.558 14.202 1.00 1.94 O ATOM 1367 CB CYS B 110 -2.178 3.585 12.339 1.00 2.23 C ATOM 1368 SG CYS B 110 -0.636 2.625 12.183 1.00 2.61 S ATOM 0 HA CYS B 110 -2.488 2.443 14.124 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -2.808 3.387 11.472 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -1.937 4.648 12.322 1.00 2.23 H new ATOM 0 HG CYS B 110 0.382 3.434 12.191 1.00 2.61 H new ATOM 1373 N LEU B 111 -2.504 4.235 15.799 1.00 1.46 N ATOM 1374 CA LEU B 111 -2.453 5.294 16.814 1.00 1.37 C ATOM 1375 C LEU B 111 -2.318 6.694 16.188 1.00 1.20 C ATOM 1376 O LEU B 111 -1.454 6.931 15.347 1.00 1.18 O ATOM 1377 CB LEU B 111 -1.297 5.049 17.790 1.00 1.54 C ATOM 1378 CG LEU B 111 -1.574 5.470 19.236 1.00 1.90 C ATOM 1379 CD1 LEU B 111 -2.587 4.536 19.884 1.00 2.47 C ATOM 1380 CD2 LEU B 111 -0.283 5.501 20.040 1.00 2.26 C ATOM 0 H LEU B 111 -2.169 3.327 16.122 1.00 1.46 H new ATOM 0 HA LEU B 111 -3.399 5.261 17.355 1.00 1.37 H new ATOM 0 HB2 LEU B 111 -1.049 3.988 17.777 1.00 1.54 H new ATOM 0 HB3 LEU B 111 -0.419 5.586 17.432 1.00 1.54 H new ATOM 0 HG LEU B 111 -1.996 6.475 19.225 1.00 1.90 H new ATOM 0 HD11 LEU B 111 -2.769 4.853 20.911 1.00 2.47 H new ATOM 0 HD12 LEU B 111 -3.521 4.567 19.323 1.00 2.47 H new ATOM 0 HD13 LEU B 111 -2.197 3.518 19.882 1.00 2.47 H new ATOM 0 HD21 LEU B 111 -0.500 5.802 21.065 1.00 2.26 H new ATOM 0 HD22 LEU B 111 0.169 4.509 20.041 1.00 2.26 H new ATOM 0 HD23 LEU B 111 0.408 6.214 19.591 1.00 2.26 H new ATOM 1392 N PRO B 112 -3.185 7.636 16.604 1.00 1.19 N ATOM 1393 CA PRO B 112 -3.202 9.028 16.126 1.00 1.12 C ATOM 1394 C PRO B 112 -1.904 9.781 16.432 1.00 1.03 C ATOM 1395 O PRO B 112 -1.275 9.517 17.458 1.00 1.06 O ATOM 1396 CB PRO B 112 -4.394 9.668 16.818 1.00 1.30 C ATOM 1397 CG PRO B 112 -4.652 8.815 17.999 1.00 1.47 C ATOM 1398 CD PRO B 112 -4.247 7.417 17.608 1.00 1.37 C ATOM 0 HA PRO B 112 -3.285 9.064 15.040 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -4.176 10.695 17.112 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -5.261 9.703 16.159 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -4.079 9.159 18.860 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -5.704 8.850 18.282 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -3.880 6.851 18.464 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -5.085 6.858 17.191 1.00 1.37 H new ATOM 1406 N CYS B 113 -1.628 10.862 15.687 1.00 0.94 N ATOM 1407 CA CYS B 113 -0.483 11.742 16.082 1.00 0.90 C ATOM 1408 C CYS B 113 -0.492 13.045 15.297 1.00 0.91 C ATOM 1409 O CYS B 113 -1.441 13.298 14.558 1.00 1.00 O ATOM 1410 CB CYS B 113 0.885 11.007 16.018 1.00 0.83 C ATOM 1411 SG CYS B 113 2.191 11.748 14.966 1.00 0.87 S ATOM 0 H CYS B 113 -2.139 11.150 14.853 1.00 0.94 H new ATOM 0 HA CYS B 113 -0.623 12.003 17.131 1.00 0.90 H new ATOM 0 HB2 CYS B 113 1.274 10.929 17.033 1.00 0.83 H new ATOM 0 HB3 CYS B 113 0.706 9.991 15.667 1.00 0.83 H new ATOM 1416 N GLY B 114 0.546 13.864 15.401 1.00 0.92 N ATOM 1417 CA GLY B 114 0.586 15.103 14.631 1.00 0.99 C ATOM 1418 C GLY B 114 -0.276 16.235 15.176 1.00 1.11 C ATOM 1419 O GLY B 114 -0.623 16.245 16.357 1.00 1.16 O ATOM 0 H GLY B 114 1.357 13.700 15.998 1.00 0.92 H new ATOM 0 HA2 GLY B 114 1.619 15.447 14.580 1.00 0.99 H new ATOM 0 HA3 GLY B 114 0.271 14.888 13.610 1.00 0.99 H new ATOM 1423 N PRO B 115 -0.623 17.227 14.321 1.00 1.19 N ATOM 1424 CA PRO B 115 -1.428 18.406 14.699 1.00 1.33 C ATOM 1425 C PRO B 115 -2.843 18.105 15.178 1.00 1.40 C ATOM 1426 O PRO B 115 -3.773 17.850 14.413 1.00 1.57 O ATOM 1427 CB PRO B 115 -1.494 19.193 13.403 1.00 1.46 C ATOM 1428 CG PRO B 115 -1.485 18.083 12.465 1.00 1.39 C ATOM 1429 CD PRO B 115 -0.291 17.307 12.901 1.00 1.21 C ATOM 0 HA PRO B 115 -0.972 18.915 15.548 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -2.394 19.803 13.326 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -0.643 19.862 13.272 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -2.399 17.492 12.526 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -1.394 18.423 11.433 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -0.219 16.330 12.423 1.00 1.21 H new ATOM 0 HD3 PRO B 115 0.649 17.825 12.710 1.00 1.21 H new ATOM 1437 N GLY B 116 -2.884 18.054 16.461 1.00 1.35 N ATOM 1438 CA GLY B 116 -4.070 17.726 17.233 1.00 1.48 C ATOM 1439 C GLY B 116 -4.243 16.245 17.405 1.00 1.44 C ATOM 1440 O GLY B 116 -5.144 15.791 18.109 1.00 1.70 O ATOM 0 H GLY B 116 -2.068 18.244 17.043 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -4.006 18.199 18.213 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -4.949 18.138 16.738 1.00 1.48 H new ATOM 1444 N GLY B 117 -3.326 15.502 16.829 1.00 1.29 N ATOM 1445 CA GLY B 117 -3.352 14.085 16.982 1.00 1.26 C ATOM 1446 C GLY B 117 -4.442 13.433 16.185 1.00 1.26 C ATOM 1447 O GLY B 117 -5.070 12.469 16.618 1.00 1.38 O ATOM 0 H GLY B 117 -2.562 15.862 16.256 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -2.390 13.674 16.677 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -3.483 13.841 18.036 1.00 1.26 H new ATOM 1451 N LYS B 118 -4.677 14.010 15.005 1.00 1.19 N ATOM 1452 CA LYS B 118 -5.701 13.529 14.090 1.00 1.25 C ATOM 1453 C LYS B 118 -5.172 12.436 13.159 1.00 1.15 C ATOM 1454 O LYS B 118 -5.914 11.528 12.795 1.00 1.25 O ATOM 1455 CB LYS B 118 -6.249 14.682 13.251 1.00 1.30 C ATOM 1456 CG LYS B 118 -6.427 15.973 14.029 1.00 1.36 C ATOM 1457 CD LYS B 118 -7.891 16.380 14.100 1.00 1.78 C ATOM 1458 CE LYS B 118 -8.088 17.857 13.795 1.00 1.95 C ATOM 1459 NZ LYS B 118 -9.361 18.374 14.370 1.00 2.54 N ATOM 0 H LYS B 118 -4.162 14.821 14.662 1.00 1.19 H new ATOM 0 HA LYS B 118 -6.497 13.101 14.699 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -5.575 14.863 12.414 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -7.210 14.388 12.829 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -6.033 15.849 15.038 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.849 16.767 13.556 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -8.468 15.784 13.393 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -8.280 16.160 15.094 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -7.250 18.426 14.197 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -8.088 18.009 12.716 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -9.460 19.384 14.141 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -10.163 17.847 13.968 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -9.350 18.252 15.403 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.891 12.534 12.778 1.00 1.04 N ATOM 1474 CA GLY B 119 -3.282 11.555 11.883 1.00 0.97 C ATOM 1475 C GLY B 119 -2.890 10.310 12.616 1.00 0.93 C ATOM 1476 O GLY B 119 -3.236 10.183 13.782 1.00 1.02 O ATOM 0 H GLY B 119 -3.263 13.280 13.077 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.982 11.304 11.086 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.403 11.991 11.409 1.00 0.97 H new ATOM 1480 N ARG B 120 -2.055 9.443 12.046 1.00 0.87 N ATOM 1481 CA ARG B 120 -1.590 8.270 12.741 1.00 0.87 C ATOM 1482 C ARG B 120 -0.065 8.198 12.531 1.00 0.80 C ATOM 1483 O ARG B 120 0.482 8.997 11.768 1.00 0.79 O ATOM 1484 CB ARG B 120 -2.247 7.027 12.159 1.00 0.95 C ATOM 1485 CG ARG B 120 -3.766 7.102 12.015 1.00 1.16 C ATOM 1486 CD ARG B 120 -4.210 6.928 10.568 1.00 1.60 C ATOM 1487 NE ARG B 120 -5.655 6.725 10.459 1.00 1.82 N ATOM 1488 CZ ARG B 120 -6.545 7.716 10.423 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -6.147 8.980 10.474 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -7.841 7.441 10.334 1.00 2.89 N ATOM 0 H ARG B 120 -1.691 9.542 11.098 1.00 0.87 H new ATOM 0 HA ARG B 120 -1.839 8.322 13.801 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.814 6.832 11.178 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -2.000 6.175 12.792 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -4.227 6.330 12.631 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -4.119 8.063 12.390 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -3.923 7.808 9.992 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.690 6.076 10.129 1.00 1.60 H new ATOM 0 HE ARG B 120 -6.002 5.767 10.407 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -5.153 9.199 10.541 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -6.835 9.733 10.446 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -8.155 6.471 10.293 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -8.523 8.199 10.306 1.00 2.89 H new ATOM 1504 N CYS B 121 0.628 7.273 13.199 1.00 0.82 N ATOM 1505 CA CYS B 121 2.093 7.179 13.059 1.00 0.81 C ATOM 1506 C CYS B 121 2.500 5.969 12.216 1.00 0.85 C ATOM 1507 O CYS B 121 1.840 4.933 12.235 1.00 1.05 O ATOM 1508 CB CYS B 121 2.762 7.056 14.440 1.00 0.91 C ATOM 1509 SG CYS B 121 3.175 8.633 15.264 1.00 1.07 S ATOM 0 H CYS B 121 0.214 6.588 13.832 1.00 0.82 H new ATOM 0 HA CYS B 121 2.424 8.090 12.561 1.00 0.81 H new ATOM 0 HB2 CYS B 121 2.101 6.488 15.094 1.00 0.91 H new ATOM 0 HB3 CYS B 121 3.677 6.475 14.329 1.00 0.91 H new ATOM 1514 N PHE B 122 3.598 6.127 11.466 1.00 0.76 N ATOM 1515 CA PHE B 122 4.109 5.061 10.596 1.00 0.84 C ATOM 1516 C PHE B 122 5.636 5.029 10.576 1.00 0.95 C ATOM 1517 O PHE B 122 6.240 4.510 9.637 1.00 1.44 O ATOM 1518 CB PHE B 122 3.606 5.270 9.171 1.00 0.86 C ATOM 1519 CG PHE B 122 2.123 5.139 9.042 1.00 0.86 C ATOM 1520 CD1 PHE B 122 1.285 6.189 9.385 1.00 1.42 C ATOM 1521 CD2 PHE B 122 1.565 3.955 8.587 1.00 1.41 C ATOM 1522 CE1 PHE B 122 -0.087 6.055 9.273 1.00 1.50 C ATOM 1523 CE2 PHE B 122 0.196 3.820 8.474 1.00 1.53 C ATOM 1524 CZ PHE B 122 -0.630 4.869 8.818 1.00 1.15 C ATOM 0 H PHE B 122 4.150 6.984 11.445 1.00 0.76 H new ATOM 0 HA PHE B 122 3.747 4.113 10.995 1.00 0.84 H new ATOM 0 HB2 PHE B 122 3.907 6.260 8.828 1.00 0.86 H new ATOM 0 HB3 PHE B 122 4.086 4.545 8.514 1.00 0.86 H new ATOM 0 HD1 PHE B 122 1.706 7.117 9.742 1.00 1.42 H new ATOM 0 HD2 PHE B 122 2.208 3.130 8.318 1.00 1.41 H new ATOM 0 HE1 PHE B 122 -0.734 6.877 9.541 1.00 1.50 H new ATOM 0 HE2 PHE B 122 -0.228 2.893 8.116 1.00 1.53 H new ATOM 0 HZ PHE B 122 -1.701 4.764 8.732 1.00 1.15 H new ATOM 1534 N GLY B 123 6.255 5.582 11.607 1.00 0.84 N ATOM 1535 CA GLY B 123 7.704 5.605 11.678 1.00 0.89 C ATOM 1536 C GLY B 123 8.187 6.409 12.863 1.00 0.89 C ATOM 1537 O GLY B 123 7.390 6.767 13.721 1.00 0.90 O ATOM 0 H GLY B 123 5.781 6.017 12.398 1.00 0.84 H new ATOM 0 HA2 GLY B 123 8.082 4.585 11.750 1.00 0.89 H new ATOM 0 HA3 GLY B 123 8.108 6.030 10.759 1.00 0.89 H new ATOM 1541 N PRO B 124 9.492 6.706 12.952 1.00 1.02 N ATOM 1542 CA PRO B 124 10.047 7.474 14.061 1.00 1.08 C ATOM 1543 C PRO B 124 9.847 8.979 13.881 1.00 0.96 C ATOM 1544 O PRO B 124 9.301 9.651 14.756 1.00 1.02 O ATOM 1545 CB PRO B 124 11.545 7.120 14.037 1.00 1.33 C ATOM 1546 CG PRO B 124 11.738 6.176 12.886 1.00 1.51 C ATOM 1547 CD PRO B 124 10.532 6.316 12.001 1.00 1.26 C ATOM 0 HA PRO B 124 9.559 7.233 15.005 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.154 8.015 13.911 1.00 1.33 H new ATOM 0 HB3 PRO B 124 11.850 6.656 14.975 1.00 1.33 H new ATOM 0 HG2 PRO B 124 12.649 6.416 12.338 1.00 1.51 H new ATOM 0 HG3 PRO B 124 11.840 5.150 13.240 1.00 1.51 H new ATOM 0 HD2 PRO B 124 10.680 7.070 11.228 1.00 1.26 H new ATOM 0 HD3 PRO B 124 10.290 5.383 11.493 1.00 1.26 H new ATOM 1555 N SER B 125 10.296 9.501 12.741 1.00 0.97 N ATOM 1556 CA SER B 125 10.173 10.928 12.438 1.00 0.92 C ATOM 1557 C SER B 125 9.096 11.183 11.389 1.00 0.76 C ATOM 1558 O SER B 125 9.028 12.265 10.818 1.00 0.78 O ATOM 1559 CB SER B 125 11.512 11.470 11.915 1.00 1.12 C ATOM 1560 OG SER B 125 12.022 12.480 12.766 1.00 1.25 O ATOM 0 H SER B 125 10.750 8.956 12.008 1.00 0.97 H new ATOM 0 HA SER B 125 9.893 11.438 13.360 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.233 10.656 11.840 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.378 11.871 10.910 1.00 1.12 H new ATOM 0 HG SER B 125 12.875 12.807 12.411 1.00 1.25 H new ATOM 1566 N ILE B 126 8.286 10.178 11.102 1.00 0.70 N ATOM 1567 CA ILE B 126 7.267 10.304 10.076 1.00 0.60 C ATOM 1568 C ILE B 126 5.856 10.053 10.600 1.00 0.57 C ATOM 1569 O ILE B 126 5.558 8.978 11.122 1.00 0.74 O ATOM 1570 CB ILE B 126 7.543 9.338 8.918 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.041 9.078 8.757 1.00 0.79 C ATOM 1572 CG2 ILE B 126 6.969 9.890 7.638 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.332 7.872 7.900 1.00 0.85 C ATOM 0 H ILE B 126 8.314 9.269 11.564 1.00 0.70 H new ATOM 0 HA ILE B 126 7.317 11.337 9.731 1.00 0.60 H new ATOM 0 HB ILE B 126 7.061 8.388 9.147 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.513 9.956 8.315 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.489 8.937 9.741 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.170 9.197 6.821 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.892 10.019 7.748 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.429 10.853 7.418 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.410 7.734 7.820 1.00 0.85 H new ATOM 0 HD12 ILE B 126 8.886 6.987 8.354 1.00 0.85 H new ATOM 0 HD13 ILE B 126 8.910 8.022 6.906 1.00 0.85 H new ATOM 1585 N CYS B 127 4.975 11.041 10.434 1.00 0.54 N ATOM 1586 CA CYS B 127 3.594 10.885 10.880 1.00 0.53 C ATOM 1587 C CYS B 127 2.606 11.287 9.794 1.00 0.53 C ATOM 1588 O CYS B 127 2.559 12.425 9.331 1.00 0.56 O ATOM 1589 CB CYS B 127 3.313 11.647 12.167 1.00 0.56 C ATOM 1590 SG CYS B 127 1.902 10.985 13.115 1.00 0.89 S ATOM 0 H CYS B 127 5.189 11.940 10.002 1.00 0.54 H new ATOM 0 HA CYS B 127 3.457 9.824 11.091 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.204 11.625 12.794 1.00 0.56 H new ATOM 0 HB3 CYS B 127 3.119 12.692 11.926 1.00 0.56 H new ATOM 1595 N CYS B 128 1.842 10.294 9.404 1.00 0.53 N ATOM 1596 CA CYS B 128 0.847 10.375 8.380 1.00 0.56 C ATOM 1597 C CYS B 128 -0.493 9.797 8.824 1.00 0.60 C ATOM 1598 O CYS B 128 -0.531 8.756 9.467 1.00 0.76 O ATOM 1599 CB CYS B 128 1.334 9.540 7.175 1.00 0.63 C ATOM 1600 SG CYS B 128 3.013 8.835 7.351 1.00 1.23 S ATOM 0 H CYS B 128 1.907 9.364 9.818 1.00 0.53 H new ATOM 0 HA CYS B 128 0.704 11.427 8.135 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.630 8.725 7.009 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.311 10.168 6.284 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.615 10.488 8.524 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.903 9.990 8.854 1.00 0.65 C ATOM 1607 C GLY B 129 -3.707 10.108 7.585 1.00 0.66 C ATOM 1608 O GLY B 129 -3.133 10.237 6.503 1.00 0.64 O ATOM 0 H GLY B 129 -1.619 11.392 8.052 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.851 8.955 9.193 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.354 10.567 9.661 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.992 10.071 7.674 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.785 10.159 6.469 1.00 0.76 C ATOM 1614 C ASP B 130 -5.711 11.526 5.819 1.00 0.77 C ATOM 1615 O ASP B 130 -5.132 11.679 4.738 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.236 9.773 6.743 1.00 0.84 C ATOM 1617 CG ASP B 130 -7.837 10.511 7.920 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -7.080 10.879 8.842 1.00 2.35 O ATOM 1619 OD2 ASP B 130 -9.068 10.721 7.919 1.00 1.96 O ATOM 0 H ASP B 130 -5.519 9.983 8.543 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.358 9.448 5.762 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.833 9.974 5.853 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.291 8.700 6.928 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.316 12.514 6.433 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.341 13.840 5.843 1.00 0.85 C ATOM 1626 C GLU B 131 -5.320 14.709 6.493 1.00 0.89 C ATOM 1627 O GLU B 131 -5.445 15.932 6.553 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.723 14.491 6.077 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.787 13.579 6.691 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.155 13.769 6.062 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.755 14.847 6.260 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -10.625 12.841 5.371 1.00 1.63 O ATOM 0 H GLU B 131 -6.794 12.432 7.331 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.135 13.742 4.777 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.592 15.356 6.727 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.096 14.863 5.123 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.480 12.540 6.575 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.853 13.774 7.761 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.265 14.073 6.880 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.166 14.717 7.458 1.00 0.89 C ATOM 1641 C LEU B 132 -1.954 14.288 6.685 1.00 0.83 C ATOM 1642 O LEU B 132 -0.910 14.925 6.724 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.102 14.294 8.896 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.283 15.422 9.901 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.457 14.851 11.283 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.130 16.410 9.845 1.00 1.38 C ATOM 0 H LEU B 132 -4.155 13.063 6.794 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.235 15.804 7.426 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.870 13.541 9.073 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.139 13.816 9.077 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.184 15.978 9.640 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.586 15.663 11.999 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.336 14.207 11.303 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.575 14.269 11.550 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.293 17.202 10.576 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.197 15.894 10.071 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.071 16.844 8.847 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.135 13.198 5.938 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.117 12.689 5.119 1.00 0.70 C ATOM 1660 C GLY B 133 0.118 12.329 5.893 1.00 0.66 C ATOM 1661 O GLY B 133 0.010 11.678 6.918 1.00 0.65 O ATOM 0 H GLY B 133 -3.005 12.667 5.907 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.484 11.806 4.595 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -0.863 13.428 4.359 1.00 0.70 H new ATOM 1665 N CYS B 134 1.301 12.700 5.426 1.00 0.69 N ATOM 1666 CA CYS B 134 2.499 12.286 6.139 1.00 0.68 C ATOM 1667 C CYS B 134 3.552 13.350 6.346 1.00 0.64 C ATOM 1668 O CYS B 134 4.134 13.841 5.389 1.00 0.62 O ATOM 1669 CB CYS B 134 3.145 11.149 5.369 1.00 0.72 C ATOM 1670 SG CYS B 134 4.242 10.113 6.366 1.00 1.08 S ATOM 0 H CYS B 134 1.456 13.264 4.590 1.00 0.69 H new ATOM 0 HA CYS B 134 2.153 12.009 7.135 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.362 10.523 4.941 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.712 11.564 4.536 1.00 0.72 H new ATOM 1675 N PHE B 135 3.857 13.632 7.616 1.00 0.67 N ATOM 1676 CA PHE B 135 4.895 14.568 7.950 1.00 0.66 C ATOM 1677 C PHE B 135 6.140 13.763 8.171 1.00 0.64 C ATOM 1678 O PHE B 135 6.268 13.074 9.183 1.00 0.64 O ATOM 1679 CB PHE B 135 4.561 15.362 9.225 1.00 0.70 C ATOM 1680 CG PHE B 135 3.158 15.161 9.705 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.094 15.398 8.861 1.00 0.96 C ATOM 1682 CD2 PHE B 135 2.910 14.702 10.979 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.806 15.180 9.281 1.00 1.19 C ATOM 1684 CE2 PHE B 135 1.620 14.485 11.409 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.565 14.722 10.557 1.00 1.23 C ATOM 0 H PHE B 135 3.389 13.216 8.421 1.00 0.67 H new ATOM 0 HA PHE B 135 5.013 15.295 7.146 1.00 0.66 H new ATOM 0 HB2 PHE B 135 5.252 15.071 10.016 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.723 16.423 9.035 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.276 15.759 7.859 1.00 0.96 H new ATOM 0 HD2 PHE B 135 3.736 14.510 11.648 1.00 1.15 H new ATOM 0 HE1 PHE B 135 -0.019 15.368 8.610 1.00 1.19 H new ATOM 0 HE2 PHE B 135 1.436 14.130 12.412 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.448 14.549 10.888 1.00 1.23 H new ATOM 1695 N VAL B 136 7.061 13.847 7.246 1.00 0.66 N ATOM 1696 CA VAL B 136 8.276 13.115 7.394 1.00 0.68 C ATOM 1697 C VAL B 136 9.289 14.028 8.032 1.00 0.71 C ATOM 1698 O VAL B 136 10.099 14.667 7.368 1.00 0.74 O ATOM 1699 CB VAL B 136 8.777 12.579 6.035 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.722 11.402 6.227 1.00 0.75 C ATOM 1701 CG2 VAL B 136 7.592 12.187 5.152 1.00 0.74 C ATOM 0 H VAL B 136 6.989 14.408 6.397 1.00 0.66 H new ATOM 0 HA VAL B 136 8.112 12.242 8.026 1.00 0.68 H new ATOM 0 HB VAL B 136 9.333 13.373 5.537 1.00 0.73 H new ATOM 0 HG11 VAL B 136 10.060 11.044 5.254 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.583 11.719 6.816 1.00 0.75 H new ATOM 0 HG13 VAL B 136 9.201 10.599 6.748 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.959 11.811 4.197 1.00 0.74 H new ATOM 0 HG22 VAL B 136 7.010 11.411 5.648 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.962 13.060 4.980 1.00 0.74 H new ATOM 1711 N GLY B 137 9.199 14.081 9.350 1.00 0.72 N ATOM 1712 CA GLY B 137 10.104 14.916 10.135 1.00 0.76 C ATOM 1713 C GLY B 137 9.459 16.184 10.680 1.00 0.73 C ATOM 1714 O GLY B 137 9.290 17.161 9.958 1.00 0.83 O ATOM 0 H GLY B 137 8.515 13.561 9.900 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.492 14.330 10.969 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.957 15.192 9.515 1.00 0.76 H new ATOM 1718 N THR B 138 9.135 16.159 11.973 1.00 0.69 N ATOM 1719 CA THR B 138 8.522 17.291 12.683 1.00 0.70 C ATOM 1720 C THR B 138 8.307 16.873 14.136 1.00 0.73 C ATOM 1721 O THR B 138 8.354 15.681 14.430 1.00 0.77 O ATOM 1722 CB THR B 138 7.206 17.716 12.017 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.270 18.178 12.978 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.557 16.611 11.217 1.00 0.77 C ATOM 0 H THR B 138 9.291 15.345 12.567 1.00 0.69 H new ATOM 0 HA THR B 138 9.180 18.159 12.644 1.00 0.70 H new ATOM 0 HB THR B 138 7.479 18.519 11.333 1.00 0.73 H new ATOM 0 HG1 THR B 138 5.442 18.444 12.527 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.632 16.978 10.773 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.235 16.287 10.427 1.00 0.77 H new ATOM 0 HG23 THR B 138 6.336 15.769 11.873 1.00 0.77 H new ATOM 1732 N ALA B 139 8.033 17.812 15.049 1.00 0.79 N ATOM 1733 CA ALA B 139 7.809 17.432 16.446 1.00 0.88 C ATOM 1734 C ALA B 139 6.504 16.665 16.579 1.00 0.83 C ATOM 1735 O ALA B 139 6.387 15.739 17.383 1.00 0.87 O ATOM 1736 CB ALA B 139 7.816 18.659 17.342 1.00 1.04 C ATOM 0 H ALA B 139 7.963 18.811 14.854 1.00 0.79 H new ATOM 0 HA ALA B 139 8.622 16.780 16.766 1.00 0.88 H new ATOM 0 HB1 ALA B 139 7.648 18.356 18.375 1.00 1.04 H new ATOM 0 HB2 ALA B 139 8.780 19.161 17.263 1.00 1.04 H new ATOM 0 HB3 ALA B 139 7.025 19.341 17.031 1.00 1.04 H new ATOM 1742 N GLU B 140 5.508 17.073 15.804 1.00 0.79 N ATOM 1743 CA GLU B 140 4.198 16.435 15.816 1.00 0.79 C ATOM 1744 C GLU B 140 4.311 14.944 15.508 1.00 0.73 C ATOM 1745 O GLU B 140 3.373 14.183 15.742 1.00 0.79 O ATOM 1746 CB GLU B 140 3.295 17.147 14.806 1.00 0.83 C ATOM 1747 CG GLU B 140 2.415 18.215 15.437 1.00 1.27 C ATOM 1748 CD GLU B 140 2.482 19.540 14.703 1.00 1.55 C ATOM 1749 OE1 GLU B 140 1.949 19.620 13.576 1.00 2.31 O ATOM 1750 OE2 GLU B 140 3.065 20.496 15.255 1.00 1.90 O ATOM 0 H GLU B 140 5.585 17.853 15.151 1.00 0.79 H new ATOM 0 HA GLU B 140 3.760 16.519 16.811 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.914 17.605 14.035 1.00 0.83 H new ATOM 0 HB3 GLU B 140 2.662 16.410 14.311 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.383 17.866 15.453 1.00 1.27 H new ATOM 0 HG3 GLU B 140 2.718 18.363 16.474 1.00 1.27 H new ATOM 1757 N ALA B 141 5.476 14.532 15.013 1.00 0.69 N ATOM 1758 CA ALA B 141 5.737 13.145 14.708 1.00 0.70 C ATOM 1759 C ALA B 141 6.584 12.520 15.812 1.00 0.77 C ATOM 1760 O ALA B 141 6.626 11.312 15.951 1.00 0.87 O ATOM 1761 CB ALA B 141 6.426 13.012 13.357 1.00 0.75 C ATOM 0 H ALA B 141 6.258 15.156 14.816 1.00 0.69 H new ATOM 0 HA ALA B 141 4.787 12.613 14.653 1.00 0.70 H new ATOM 0 HB1 ALA B 141 6.614 11.959 13.146 1.00 0.75 H new ATOM 0 HB2 ALA B 141 5.786 13.429 12.580 1.00 0.75 H new ATOM 0 HB3 ALA B 141 7.372 13.552 13.376 1.00 0.75 H new ATOM 1767 N LEU B 142 7.297 13.348 16.572 1.00 0.80 N ATOM 1768 CA LEU B 142 8.165 12.846 17.634 1.00 0.93 C ATOM 1769 C LEU B 142 7.493 11.770 18.482 1.00 1.06 C ATOM 1770 O LEU B 142 8.136 10.784 18.846 1.00 1.24 O ATOM 1771 CB LEU B 142 8.674 13.998 18.507 1.00 0.97 C ATOM 1772 CG LEU B 142 10.098 14.473 18.196 1.00 1.01 C ATOM 1773 CD1 LEU B 142 10.253 15.963 18.479 1.00 1.11 C ATOM 1774 CD2 LEU B 142 11.112 13.671 18.996 1.00 1.14 C ATOM 0 H LEU B 142 7.291 14.363 16.473 1.00 0.80 H new ATOM 0 HA LEU B 142 9.019 12.372 17.150 1.00 0.93 H new ATOM 0 HB2 LEU B 142 7.994 14.843 18.398 1.00 0.97 H new ATOM 0 HB3 LEU B 142 8.632 13.688 19.551 1.00 0.97 H new ATOM 0 HG LEU B 142 10.284 14.311 17.134 1.00 1.01 H new ATOM 0 HD11 LEU B 142 11.273 16.273 18.250 1.00 1.11 H new ATOM 0 HD12 LEU B 142 9.555 16.526 17.859 1.00 1.11 H new ATOM 0 HD13 LEU B 142 10.043 16.157 19.531 1.00 1.11 H new ATOM 0 HD21 LEU B 142 12.118 14.021 18.763 1.00 1.14 H new ATOM 0 HD22 LEU B 142 10.920 13.801 20.061 1.00 1.14 H new ATOM 0 HD23 LEU B 142 11.026 12.615 18.738 1.00 1.14 H new ATOM 1786 N ARG B 143 6.199 11.920 18.758 1.00 1.06 N ATOM 1787 CA ARG B 143 5.479 10.891 19.515 1.00 1.26 C ATOM 1788 C ARG B 143 5.697 9.559 18.787 1.00 1.27 C ATOM 1789 O ARG B 143 5.641 8.475 19.372 1.00 1.49 O ATOM 1790 CB ARG B 143 3.982 11.227 19.646 1.00 1.35 C ATOM 1791 CG ARG B 143 3.412 12.044 18.496 1.00 1.36 C ATOM 1792 CD ARG B 143 3.510 13.552 18.737 1.00 1.50 C ATOM 1793 NE ARG B 143 3.008 13.963 20.047 1.00 1.90 N ATOM 1794 CZ ARG B 143 3.193 15.185 20.553 1.00 2.20 C ATOM 1795 NH1 ARG B 143 3.902 16.086 19.882 1.00 2.36 N ATOM 1796 NH2 ARG B 143 2.675 15.508 21.732 1.00 2.93 N ATOM 0 H ARG B 143 5.636 12.723 18.478 1.00 1.06 H new ATOM 0 HA ARG B 143 5.861 10.833 20.534 1.00 1.26 H new ATOM 0 HB2 ARG B 143 3.420 10.296 19.726 1.00 1.35 H new ATOM 0 HB3 ARG B 143 3.826 11.775 20.575 1.00 1.35 H new ATOM 0 HG2 ARG B 143 3.943 11.792 17.578 1.00 1.36 H new ATOM 0 HG3 ARG B 143 2.367 11.772 18.345 1.00 1.36 H new ATOM 0 HD2 ARG B 143 4.551 13.861 18.641 1.00 1.50 H new ATOM 0 HD3 ARG B 143 2.950 14.074 17.961 1.00 1.50 H new ATOM 0 HE ARG B 143 2.490 13.282 20.603 1.00 1.90 H new ATOM 0 HH11 ARG B 143 4.307 15.845 18.977 1.00 2.36 H new ATOM 0 HH12 ARG B 143 4.041 17.018 20.271 1.00 2.36 H new ATOM 0 HH21 ARG B 143 2.133 14.821 22.256 1.00 2.93 H new ATOM 0 HH22 ARG B 143 2.819 16.443 22.114 1.00 2.93 H new ATOM 1810 N CYS B 144 5.875 9.688 17.472 1.00 1.10 N ATOM 1811 CA CYS B 144 6.052 8.511 16.606 1.00 1.17 C ATOM 1812 C CYS B 144 7.258 7.664 17.084 1.00 1.44 C ATOM 1813 O CYS B 144 7.487 6.558 16.594 1.00 1.61 O ATOM 1814 CB CYS B 144 6.255 8.898 15.133 1.00 1.05 C ATOM 1815 SG CYS B 144 4.746 9.387 14.213 1.00 1.26 S ATOM 0 H CYS B 144 5.901 10.583 16.983 1.00 1.10 H new ATOM 0 HA CYS B 144 5.135 7.926 16.678 1.00 1.17 H new ATOM 0 HB2 CYS B 144 6.966 9.723 15.090 1.00 1.05 H new ATOM 0 HB3 CYS B 144 6.714 8.055 14.617 1.00 1.05 H new ATOM 1820 N GLN B 145 7.973 8.170 18.096 1.00 1.58 N ATOM 1821 CA GLN B 145 9.110 7.455 18.687 1.00 1.89 C ATOM 1822 C GLN B 145 8.637 6.369 19.660 1.00 2.14 C ATOM 1823 O GLN B 145 9.371 5.419 19.970 1.00 2.40 O ATOM 1824 CB GLN B 145 10.051 8.420 19.413 1.00 2.00 C ATOM 1825 CG GLN B 145 11.518 8.213 19.067 1.00 2.43 C ATOM 1826 CD GLN B 145 12.161 7.095 19.866 1.00 2.77 C ATOM 1827 OE1 GLN B 145 12.522 7.275 21.029 1.00 3.35 O ATOM 1828 NE2 GLN B 145 12.310 5.930 19.244 1.00 3.05 N ATOM 0 H GLN B 145 7.783 9.076 18.524 1.00 1.58 H new ATOM 0 HA GLN B 145 9.653 6.981 17.869 1.00 1.89 H new ATOM 0 HB2 GLN B 145 9.769 9.444 19.167 1.00 2.00 H new ATOM 0 HB3 GLN B 145 9.920 8.303 20.489 1.00 2.00 H new ATOM 0 HG2 GLN B 145 11.607 7.991 18.004 1.00 2.43 H new ATOM 0 HG3 GLN B 145 12.063 9.140 19.246 1.00 2.43 H new ATOM 0 HE21 GLN B 145 11.997 5.823 18.279 1.00 3.05 H new ATOM 0 HE22 GLN B 145 12.737 5.143 19.732 1.00 3.05 H new ATOM 1837 N GLU B 146 7.400 6.482 20.125 1.00 2.12 N ATOM 1838 CA GLU B 146 6.881 5.495 21.054 1.00 2.41 C ATOM 1839 C GLU B 146 6.303 4.313 20.302 1.00 2.40 C ATOM 1840 O GLU B 146 5.701 3.421 20.899 1.00 2.57 O ATOM 1841 CB GLU B 146 5.816 6.107 21.967 1.00 2.47 C ATOM 1842 CG GLU B 146 6.366 7.117 22.960 1.00 2.88 C ATOM 1843 CD GLU B 146 6.747 6.485 24.286 1.00 3.26 C ATOM 1844 OE1 GLU B 146 5.832 6.124 25.056 1.00 3.59 O ATOM 1845 OE2 GLU B 146 7.960 6.353 24.554 1.00 3.76 O ATOM 0 H GLU B 146 6.752 7.230 19.880 1.00 2.12 H new ATOM 0 HA GLU B 146 7.708 5.150 21.674 1.00 2.41 H new ATOM 0 HB2 GLU B 146 5.058 6.592 21.351 1.00 2.47 H new ATOM 0 HB3 GLU B 146 5.317 5.307 22.515 1.00 2.47 H new ATOM 0 HG2 GLU B 146 7.241 7.605 22.530 1.00 2.88 H new ATOM 0 HG3 GLU B 146 5.621 7.894 23.133 1.00 2.88 H new ATOM 1852 N GLU B 147 6.548 4.272 18.993 1.00 2.27 N ATOM 1853 CA GLU B 147 6.094 3.160 18.196 1.00 2.36 C ATOM 1854 C GLU B 147 7.075 2.005 18.358 1.00 2.40 C ATOM 1855 O GLU B 147 6.914 0.948 17.748 1.00 2.48 O ATOM 1856 CB GLU B 147 5.979 3.563 16.724 1.00 2.40 C ATOM 1857 CG GLU B 147 4.562 3.498 16.184 1.00 2.97 C ATOM 1858 CD GLU B 147 4.523 3.273 14.686 1.00 3.47 C ATOM 1859 OE1 GLU B 147 4.862 4.212 13.936 1.00 4.01 O ATOM 1860 OE2 GLU B 147 4.154 2.158 14.262 1.00 3.71 O ATOM 0 H GLU B 147 7.053 4.992 18.477 1.00 2.27 H new ATOM 0 HA GLU B 147 5.105 2.850 18.535 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.358 4.578 16.603 1.00 2.40 H new ATOM 0 HB3 GLU B 147 6.617 2.911 16.127 1.00 2.40 H new ATOM 0 HG2 GLU B 147 4.023 2.693 16.683 1.00 2.97 H new ATOM 0 HG3 GLU B 147 4.042 4.426 16.423 1.00 2.97 H new ATOM 1987 N SER B 156 -2.543 -2.735 8.324 1.00 2.21 N ATOM 1988 CA SER B 156 -3.392 -2.124 7.299 1.00 2.03 C ATOM 1989 C SER B 156 -2.744 -0.873 6.721 1.00 1.77 C ATOM 1990 O SER B 156 -3.104 0.249 7.075 1.00 2.17 O ATOM 1991 CB SER B 156 -4.755 -1.757 7.869 1.00 2.58 C ATOM 1992 OG SER B 156 -5.757 -1.792 6.866 1.00 3.11 O ATOM 0 HA SER B 156 -3.517 -2.861 6.506 1.00 2.03 H new ATOM 0 HB2 SER B 156 -5.015 -2.448 8.671 1.00 2.58 H new ATOM 0 HB3 SER B 156 -4.712 -0.761 8.309 1.00 2.58 H new ATOM 0 HG SER B 156 -6.622 -1.554 7.260 1.00 3.11 H new ATOM 1998 N GLY B 157 -1.767 -1.076 5.860 1.00 1.55 N ATOM 1999 CA GLY B 157 -1.054 0.023 5.254 1.00 1.82 C ATOM 2000 C GLY B 157 0.206 -0.497 4.624 1.00 1.65 C ATOM 2001 O GLY B 157 1.282 0.086 4.772 1.00 2.07 O ATOM 0 H GLY B 157 -1.450 -1.999 5.565 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -1.678 0.507 4.503 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -0.816 0.776 6.005 1.00 1.82 H new ATOM 2005 N GLN B 158 0.066 -1.617 3.920 1.00 1.33 N ATOM 2006 CA GLN B 158 1.195 -2.232 3.270 1.00 1.42 C ATOM 2007 C GLN B 158 0.987 -2.285 1.772 1.00 1.04 C ATOM 2008 O GLN B 158 0.775 -3.338 1.173 1.00 0.95 O ATOM 2009 CB GLN B 158 1.383 -3.652 3.819 1.00 1.93 C ATOM 2010 CG GLN B 158 0.106 -4.488 3.797 1.00 2.76 C ATOM 2011 CD GLN B 158 0.368 -5.969 4.012 1.00 3.57 C ATOM 2012 OE1 GLN B 158 1.137 -6.587 3.277 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -0.273 -6.544 5.025 1.00 4.34 N ATOM 0 H GLN B 158 -0.819 -2.108 3.792 1.00 1.33 H new ATOM 0 HA GLN B 158 2.086 -1.637 3.472 1.00 1.42 H new ATOM 0 HB2 GLN B 158 2.150 -4.160 3.235 1.00 1.93 H new ATOM 0 HB3 GLN B 158 1.750 -3.591 4.843 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -0.572 -4.128 4.571 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -0.398 -4.348 2.841 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -0.902 -5.993 5.609 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -0.136 -7.536 5.218 1.00 4.34 H new ATOM 2022 N LYS B 159 1.081 -1.112 1.196 1.00 1.15 N ATOM 2023 CA LYS B 159 1.043 -0.881 -0.232 1.00 1.13 C ATOM 2024 C LYS B 159 2.446 -0.508 -0.699 1.00 0.95 C ATOM 2025 O LYS B 159 2.649 0.673 -1.000 1.00 0.91 O ATOM 2026 CB LYS B 159 0.034 0.194 -0.558 1.00 1.54 C ATOM 2027 CG LYS B 159 -0.340 0.247 -2.025 1.00 1.91 C ATOM 2028 CD LYS B 159 -1.820 -0.024 -2.236 1.00 2.18 C ATOM 2029 CE LYS B 159 -2.087 -1.502 -2.463 1.00 2.81 C ATOM 2030 NZ LYS B 159 -1.531 -1.973 -3.761 1.00 3.54 N ATOM 0 H LYS B 159 1.191 -0.251 1.732 1.00 1.15 H new ATOM 0 HA LYS B 159 0.728 -1.783 -0.758 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -0.867 0.027 0.033 1.00 1.54 H new ATOM 0 HB3 LYS B 159 0.436 1.162 -0.259 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -0.088 1.227 -2.430 1.00 1.91 H new ATOM 0 HG3 LYS B 159 0.247 -0.487 -2.577 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -2.382 0.319 -1.367 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -2.177 0.547 -3.093 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -1.648 -2.079 -1.649 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -3.161 -1.685 -2.440 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -2.050 -2.818 -4.075 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -1.630 -1.222 -4.474 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -0.525 -2.208 -3.643 1.00 3.54 H new ATOM 2044 N PRO B 160 3.451 -1.385 -0.647 1.00 1.05 N ATOM 2045 CA PRO B 160 4.820 -0.984 -0.975 1.00 1.14 C ATOM 2046 C PRO B 160 5.105 -0.703 -2.450 1.00 1.10 C ATOM 2047 O PRO B 160 5.494 -1.577 -3.224 1.00 1.23 O ATOM 2048 CB PRO B 160 5.673 -2.135 -0.451 1.00 1.46 C ATOM 2049 CG PRO B 160 4.757 -3.308 -0.460 1.00 1.51 C ATOM 2050 CD PRO B 160 3.384 -2.766 -0.152 1.00 1.27 C ATOM 0 HA PRO B 160 5.037 -0.018 -0.520 1.00 1.14 H new ATOM 0 HB2 PRO B 160 6.543 -2.305 -1.085 1.00 1.46 H new ATOM 0 HB3 PRO B 160 6.045 -1.929 0.553 1.00 1.46 H new ATOM 0 HG2 PRO B 160 4.771 -3.807 -1.429 1.00 1.51 H new ATOM 0 HG3 PRO B 160 5.061 -4.046 0.283 1.00 1.51 H new ATOM 0 HD2 PRO B 160 2.603 -3.337 -0.655 1.00 1.27 H new ATOM 0 HD3 PRO B 160 3.167 -2.801 0.916 1.00 1.27 H new ATOM 2058 N CYS B 161 4.946 0.565 -2.777 1.00 1.09 N ATOM 2059 CA CYS B 161 5.207 1.132 -4.090 1.00 1.15 C ATOM 2060 C CYS B 161 6.584 1.802 -4.060 1.00 1.37 C ATOM 2061 O CYS B 161 7.280 1.720 -3.051 1.00 1.58 O ATOM 2062 CB CYS B 161 4.087 2.034 -4.596 1.00 1.32 C ATOM 2063 SG CYS B 161 4.177 3.734 -4.014 1.00 1.58 S ATOM 0 H CYS B 161 4.617 1.260 -2.107 1.00 1.09 H new ATOM 0 HA CYS B 161 5.226 0.332 -4.830 1.00 1.15 H new ATOM 0 HB2 CYS B 161 4.103 2.035 -5.686 1.00 1.32 H new ATOM 0 HB3 CYS B 161 3.130 1.609 -4.292 1.00 1.32 H new ATOM 2068 N GLY B 162 6.900 2.603 -5.066 1.00 1.57 N ATOM 2069 CA GLY B 162 8.136 3.375 -4.998 1.00 1.88 C ATOM 2070 C GLY B 162 9.312 2.535 -4.528 1.00 2.05 C ATOM 2071 O GLY B 162 9.237 1.308 -4.534 1.00 2.37 O ATOM 0 H GLY B 162 6.343 2.735 -5.910 1.00 1.57 H new ATOM 0 HA2 GLY B 162 8.358 3.790 -5.981 1.00 1.88 H new ATOM 0 HA3 GLY B 162 7.999 4.217 -4.320 1.00 1.88 H new ATOM 2075 N SER B 163 10.407 3.181 -4.136 1.00 2.40 N ATOM 2076 CA SER B 163 11.574 2.443 -3.686 1.00 2.93 C ATOM 2077 C SER B 163 11.349 1.826 -2.291 1.00 2.71 C ATOM 2078 O SER B 163 11.990 2.228 -1.321 1.00 3.29 O ATOM 2079 CB SER B 163 12.784 3.381 -3.644 1.00 3.81 C ATOM 2080 OG SER B 163 13.996 2.656 -3.550 1.00 4.07 O ATOM 0 H SER B 163 10.507 4.196 -4.122 1.00 2.40 H new ATOM 0 HA SER B 163 11.754 1.629 -4.389 1.00 2.93 H new ATOM 0 HB2 SER B 163 12.797 4.001 -4.541 1.00 3.81 H new ATOM 0 HB3 SER B 163 12.694 4.055 -2.792 1.00 3.81 H new ATOM 0 HG SER B 163 14.750 3.281 -3.527 1.00 4.07 H new ATOM 2086 N GLY B 164 10.432 0.855 -2.204 1.00 2.12 N ATOM 2087 CA GLY B 164 10.149 0.213 -0.938 1.00 2.11 C ATOM 2088 C GLY B 164 9.136 0.930 -0.025 1.00 1.92 C ATOM 2089 O GLY B 164 9.047 0.555 1.144 1.00 2.20 O ATOM 0 H GLY B 164 9.885 0.508 -2.992 1.00 2.12 H new ATOM 0 HA2 GLY B 164 9.778 -0.792 -1.139 1.00 2.11 H new ATOM 0 HA3 GLY B 164 11.086 0.104 -0.392 1.00 2.11 H new ATOM 2093 N GLY B 165 8.459 1.945 -0.477 1.00 1.61 N ATOM 2094 CA GLY B 165 7.583 2.628 0.459 1.00 1.60 C ATOM 2095 C GLY B 165 6.136 2.186 0.389 1.00 1.42 C ATOM 2096 O GLY B 165 5.568 2.073 -0.688 1.00 1.62 O ATOM 0 H GLY B 165 8.483 2.310 -1.429 1.00 1.61 H new ATOM 0 HA2 GLY B 165 7.953 2.465 1.471 1.00 1.60 H new ATOM 0 HA3 GLY B 165 7.633 3.700 0.271 1.00 1.60 H new ATOM 2100 N ARG B 166 5.562 1.890 1.573 1.00 1.16 N ATOM 2101 CA ARG B 166 4.177 1.430 1.684 1.00 1.03 C ATOM 2102 C ARG B 166 3.226 2.555 2.095 1.00 0.95 C ATOM 2103 O ARG B 166 3.624 3.510 2.759 1.00 1.04 O ATOM 2104 CB ARG B 166 4.022 0.240 2.639 1.00 1.08 C ATOM 2105 CG ARG B 166 4.613 0.459 4.027 1.00 1.23 C ATOM 2106 CD ARG B 166 6.062 0.000 4.118 1.00 1.39 C ATOM 2107 NE ARG B 166 6.175 -1.451 4.272 1.00 1.79 N ATOM 2108 CZ ARG B 166 6.991 -2.054 5.139 1.00 2.31 C ATOM 2109 NH1 ARG B 166 7.745 -1.342 5.970 1.00 2.54 N ATOM 2110 NH2 ARG B 166 7.051 -3.379 5.180 1.00 3.05 N ATOM 0 H ARG B 166 6.047 1.965 2.467 1.00 1.16 H new ATOM 0 HA ARG B 166 3.903 1.094 0.684 1.00 1.03 H new ATOM 0 HB2 ARG B 166 2.962 0.010 2.742 1.00 1.08 H new ATOM 0 HB3 ARG B 166 4.496 -0.633 2.190 1.00 1.08 H new ATOM 0 HG2 ARG B 166 4.553 1.517 4.282 1.00 1.23 H new ATOM 0 HG3 ARG B 166 4.017 -0.081 4.763 1.00 1.23 H new ATOM 0 HD2 ARG B 166 6.597 0.311 3.220 1.00 1.39 H new ATOM 0 HD3 ARG B 166 6.544 0.492 4.963 1.00 1.39 H new ATOM 0 HE ARG B 166 5.592 -2.040 3.678 1.00 1.79 H new ATOM 0 HH11 ARG B 166 7.704 -0.323 5.950 1.00 2.54 H new ATOM 0 HH12 ARG B 166 8.365 -1.814 6.628 1.00 2.54 H new ATOM 0 HH21 ARG B 166 6.474 -3.935 4.549 1.00 3.05 H new ATOM 0 HH22 ARG B 166 7.674 -3.841 5.842 1.00 3.05 H new ATOM 2124 N CYS B 167 1.962 2.428 1.687 1.00 0.87 N ATOM 2125 CA CYS B 167 0.949 3.397 1.972 1.00 0.88 C ATOM 2126 C CYS B 167 0.899 3.712 3.451 1.00 0.88 C ATOM 2127 O CYS B 167 0.440 2.903 4.255 1.00 0.93 O ATOM 2128 CB CYS B 167 -0.407 2.854 1.507 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.799 4.021 1.657 1.00 1.56 S ATOM 0 H CYS B 167 1.628 1.632 1.143 1.00 0.87 H new ATOM 0 HA CYS B 167 1.184 4.319 1.440 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -0.320 2.548 0.464 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -0.640 1.959 2.084 1.00 0.94 H new ATOM 2134 N ALA B 168 1.342 4.902 3.798 1.00 0.90 N ATOM 2135 CA ALA B 168 1.325 5.333 5.175 1.00 0.95 C ATOM 2136 C ALA B 168 0.153 6.257 5.400 1.00 0.96 C ATOM 2137 O ALA B 168 -0.399 6.325 6.499 1.00 1.04 O ATOM 2138 CB ALA B 168 2.626 6.028 5.540 1.00 0.96 C ATOM 0 H ALA B 168 1.718 5.587 3.143 1.00 0.90 H new ATOM 0 HA ALA B 168 1.221 4.458 5.816 1.00 0.95 H new ATOM 0 HB1 ALA B 168 2.590 6.344 6.583 1.00 0.96 H new ATOM 0 HB2 ALA B 168 3.459 5.339 5.398 1.00 0.96 H new ATOM 0 HB3 ALA B 168 2.764 6.900 4.901 1.00 0.96 H new ATOM 2144 N ALA B 169 -0.226 6.981 4.351 1.00 0.90 N ATOM 2145 CA ALA B 169 -1.348 7.918 4.487 1.00 0.94 C ATOM 2146 C ALA B 169 -1.912 8.326 3.167 1.00 0.91 C ATOM 2147 O ALA B 169 -1.312 8.100 2.126 1.00 0.87 O ATOM 2148 CB ALA B 169 -0.998 9.154 5.288 1.00 0.98 C ATOM 0 H ALA B 169 0.205 6.945 3.427 1.00 0.90 H new ATOM 0 HA ALA B 169 -2.107 7.363 5.038 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -1.870 9.805 5.351 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -0.690 8.862 6.292 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.182 9.686 4.798 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.095 8.910 3.221 1.00 0.98 N ATOM 2155 CA ALA B 170 -3.775 9.343 2.016 1.00 1.00 C ATOM 2156 C ALA B 170 -2.774 9.880 0.988 1.00 1.04 C ATOM 2157 O ALA B 170 -2.382 11.044 1.026 1.00 1.25 O ATOM 2158 CB ALA B 170 -4.851 10.378 2.316 1.00 1.15 C ATOM 0 H ALA B 170 -3.604 9.095 4.086 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.271 8.471 1.590 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.337 10.677 1.387 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -5.591 9.948 2.991 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -4.396 11.251 2.785 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.386 9.000 0.072 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.450 9.334 -0.982 1.00 1.28 C ATOM 2166 C GLY B 171 0.020 9.135 -0.629 1.00 1.22 C ATOM 2167 O GLY B 171 0.884 9.333 -1.481 1.00 1.29 O ATOM 0 H GLY B 171 -2.715 8.035 0.044 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.682 8.729 -1.858 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.602 10.376 -1.265 1.00 1.28 H new ATOM 2171 N ILE B 172 0.314 8.717 0.602 1.00 1.13 N ATOM 2172 CA ILE B 172 1.698 8.494 1.037 1.00 1.09 C ATOM 2173 C ILE B 172 2.062 7.048 0.909 1.00 1.02 C ATOM 2174 O ILE B 172 1.421 6.173 1.479 1.00 1.34 O ATOM 2175 CB ILE B 172 1.930 8.891 2.514 1.00 1.53 C ATOM 2176 CG1 ILE B 172 1.054 10.079 2.877 1.00 1.09 C ATOM 2177 CG2 ILE B 172 3.398 9.221 2.744 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.103 11.118 1.815 1.00 0.91 C ATOM 0 H ILE B 172 -0.386 8.525 1.318 1.00 1.13 H new ATOM 0 HA ILE B 172 2.316 9.120 0.393 1.00 1.09 H new ATOM 0 HB ILE B 172 1.660 8.051 3.154 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.026 9.747 3.020 1.00 1.09 H new ATOM 0 HG13 ILE B 172 1.386 10.505 3.824 1.00 1.09 H new ATOM 0 HG21 ILE B 172 3.549 9.499 3.787 1.00 2.27 H new ATOM 0 HG22 ILE B 172 4.008 8.349 2.509 1.00 2.27 H new ATOM 0 HG23 ILE B 172 3.689 10.052 2.101 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.468 11.958 2.098 1.00 0.91 H new ATOM 0 HD12 ILE B 172 2.129 11.464 1.692 1.00 0.91 H new ATOM 0 HD13 ILE B 172 0.748 10.695 0.875 1.00 0.91 H new ATOM 2190 N CYS B 173 3.095 6.814 0.146 1.00 0.81 N ATOM 2191 CA CYS B 173 3.573 5.490 -0.093 1.00 1.04 C ATOM 2192 C CYS B 173 5.010 5.384 0.367 1.00 1.06 C ATOM 2193 O CYS B 173 5.928 5.723 -0.385 1.00 1.19 O ATOM 2194 CB CYS B 173 3.451 5.228 -1.575 1.00 1.17 C ATOM 2195 SG CYS B 173 3.697 3.519 -2.068 1.00 1.94 S ATOM 0 H CYS B 173 3.628 7.544 -0.327 1.00 0.81 H new ATOM 0 HA CYS B 173 2.994 4.750 0.459 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.462 5.546 -1.904 1.00 1.17 H new ATOM 0 HB3 CYS B 173 4.177 5.849 -2.099 1.00 1.17 H new ATOM 2200 N CYS B 174 5.224 4.971 1.613 1.00 0.97 N ATOM 2201 CA CYS B 174 6.577 4.925 2.105 1.00 0.99 C ATOM 2202 C CYS B 174 6.818 4.033 3.313 1.00 1.16 C ATOM 2203 O CYS B 174 5.933 3.329 3.800 1.00 1.35 O ATOM 2204 CB CYS B 174 7.022 6.330 2.419 1.00 1.12 C ATOM 2205 SG CYS B 174 5.856 7.326 3.397 1.00 1.26 S ATOM 0 H CYS B 174 4.502 4.676 2.271 1.00 0.97 H new ATOM 0 HA CYS B 174 7.163 4.469 1.307 1.00 0.99 H new ATOM 0 HB2 CYS B 174 7.969 6.280 2.957 1.00 1.12 H new ATOM 0 HB3 CYS B 174 7.216 6.849 1.480 1.00 1.12 H new ATOM 2210 N SER B 175 8.065 4.103 3.773 1.00 1.15 N ATOM 2211 CA SER B 175 8.561 3.346 4.911 1.00 1.38 C ATOM 2212 C SER B 175 9.108 4.320 5.954 1.00 1.29 C ATOM 2213 O SER B 175 9.055 5.531 5.745 1.00 1.12 O ATOM 2214 CB SER B 175 9.656 2.396 4.418 1.00 1.48 C ATOM 2215 OG SER B 175 10.535 3.059 3.525 1.00 2.00 O ATOM 0 H SER B 175 8.773 4.704 3.351 1.00 1.15 H new ATOM 0 HA SER B 175 7.764 2.761 5.371 1.00 1.38 H new ATOM 0 HB2 SER B 175 10.218 2.010 5.268 1.00 1.48 H new ATOM 0 HB3 SER B 175 9.203 1.539 3.920 1.00 1.48 H new ATOM 0 HG SER B 175 11.305 2.483 3.336 1.00 2.00 H new ATOM 2221 N PRO B 176 9.625 3.837 7.099 1.00 1.49 N ATOM 2222 CA PRO B 176 10.147 4.724 8.143 1.00 1.45 C ATOM 2223 C PRO B 176 11.482 5.385 7.767 1.00 1.20 C ATOM 2224 O PRO B 176 12.303 5.674 8.636 1.00 1.25 O ATOM 2225 CB PRO B 176 10.330 3.796 9.343 1.00 1.77 C ATOM 2226 CG PRO B 176 10.522 2.443 8.755 1.00 1.90 C ATOM 2227 CD PRO B 176 9.708 2.415 7.491 1.00 1.81 C ATOM 0 HA PRO B 176 9.471 5.559 8.326 1.00 1.45 H new ATOM 0 HB2 PRO B 176 11.190 4.092 9.943 1.00 1.77 H new ATOM 0 HB3 PRO B 176 9.460 3.822 9.999 1.00 1.77 H new ATOM 0 HG2 PRO B 176 11.575 2.256 8.544 1.00 1.90 H new ATOM 0 HG3 PRO B 176 10.193 1.668 9.447 1.00 1.90 H new ATOM 0 HD2 PRO B 176 10.188 1.814 6.719 1.00 1.81 H new ATOM 0 HD3 PRO B 176 8.720 1.987 7.660 1.00 1.81 H new ATOM 2235 N ASP B 177 11.682 5.637 6.468 1.00 1.01 N ATOM 2236 CA ASP B 177 12.901 6.284 5.977 1.00 0.92 C ATOM 2237 C ASP B 177 12.552 7.381 4.963 1.00 0.83 C ATOM 2238 O ASP B 177 12.866 8.556 5.175 1.00 0.90 O ATOM 2239 CB ASP B 177 13.850 5.255 5.350 1.00 1.18 C ATOM 2240 CG ASP B 177 13.149 4.313 4.390 1.00 1.96 C ATOM 2241 OD1 ASP B 177 12.810 4.749 3.270 1.00 2.51 O ATOM 2242 OD2 ASP B 177 12.940 3.138 4.756 1.00 2.72 O ATOM 0 H ASP B 177 11.011 5.401 5.737 1.00 1.01 H new ATOM 0 HA ASP B 177 13.410 6.743 6.825 1.00 0.92 H new ATOM 0 HB2 ASP B 177 14.647 5.778 4.821 1.00 1.18 H new ATOM 0 HB3 ASP B 177 14.322 4.673 6.142 1.00 1.18 H new ATOM 2247 N GLY B 178 11.896 6.997 3.871 1.00 0.89 N ATOM 2248 CA GLY B 178 11.506 7.965 2.871 1.00 0.87 C ATOM 2249 C GLY B 178 10.014 7.919 2.598 1.00 0.85 C ATOM 2250 O GLY B 178 9.302 7.172 3.261 1.00 0.99 O ATOM 0 H GLY B 178 11.630 6.034 3.665 1.00 0.89 H new ATOM 0 HA2 GLY B 178 11.784 8.965 3.204 1.00 0.87 H new ATOM 0 HA3 GLY B 178 12.051 7.774 1.947 1.00 0.87 H new ATOM 2254 N CYS B 179 9.539 8.700 1.616 1.00 0.78 N ATOM 2255 CA CYS B 179 8.114 8.716 1.274 1.00 0.79 C ATOM 2256 C CYS B 179 7.885 9.015 -0.208 1.00 0.77 C ATOM 2257 O CYS B 179 8.768 9.545 -0.872 1.00 0.88 O ATOM 2258 CB CYS B 179 7.352 9.705 2.158 1.00 0.92 C ATOM 2259 SG CYS B 179 6.893 9.035 3.797 1.00 1.34 S ATOM 0 H CYS B 179 10.117 9.322 1.051 1.00 0.78 H new ATOM 0 HA CYS B 179 7.724 7.716 1.464 1.00 0.79 H new ATOM 0 HB2 CYS B 179 7.963 10.596 2.299 1.00 0.92 H new ATOM 0 HB3 CYS B 179 6.447 10.019 1.638 1.00 0.92 H new ATOM 2264 N HIS B 180 6.696 8.674 -0.749 1.00 0.70 N ATOM 2265 CA HIS B 180 6.435 8.918 -2.169 1.00 0.75 C ATOM 2266 C HIS B 180 4.962 9.186 -2.435 1.00 0.69 C ATOM 2267 O HIS B 180 4.087 8.525 -1.875 1.00 0.66 O ATOM 2268 CB HIS B 180 6.875 7.709 -3.002 1.00 0.89 C ATOM 2269 CG HIS B 180 8.329 7.372 -2.879 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.819 6.472 -1.957 1.00 1.60 N ATOM 2271 CD2 HIS B 180 9.400 7.806 -3.583 1.00 1.70 C ATOM 2272 CE1 HIS B 180 10.128 6.369 -2.098 1.00 2.03 C ATOM 2273 NE2 HIS B 180 10.507 7.168 -3.078 1.00 2.10 N ATOM 0 H HIS B 180 5.927 8.242 -0.236 1.00 0.70 H new ATOM 0 HA HIS B 180 7.006 9.802 -2.454 1.00 0.75 H new ATOM 0 HB2 HIS B 180 6.286 6.842 -2.702 1.00 0.89 H new ATOM 0 HB3 HIS B 180 6.646 7.902 -4.050 1.00 0.89 H new ATOM 0 HD2 HIS B 180 9.387 8.521 -4.392 1.00 1.70 H new ATOM 0 HE1 HIS B 180 10.778 5.738 -1.511 1.00 2.03 H new ATOM 0 HE2 HIS B 180 11.465 7.291 -3.406 1.00 2.10 H new ATOM 2282 N GLU B 181 4.695 10.142 -3.317 1.00 0.75 N ATOM 2283 CA GLU B 181 3.332 10.474 -3.685 1.00 0.77 C ATOM 2284 C GLU B 181 2.689 9.290 -4.393 1.00 0.73 C ATOM 2285 O GLU B 181 3.235 8.767 -5.364 1.00 0.94 O ATOM 2286 CB GLU B 181 3.311 11.706 -4.596 1.00 0.93 C ATOM 2287 CG GLU B 181 3.019 13.005 -3.864 1.00 1.69 C ATOM 2288 CD GLU B 181 2.409 14.056 -4.770 1.00 2.34 C ATOM 2289 OE1 GLU B 181 1.181 14.008 -4.995 1.00 3.06 O ATOM 2290 OE2 GLU B 181 3.159 14.930 -5.254 1.00 2.69 O ATOM 0 H GLU B 181 5.408 10.699 -3.789 1.00 0.75 H new ATOM 0 HA GLU B 181 2.767 10.702 -2.781 1.00 0.77 H new ATOM 0 HB2 GLU B 181 4.275 11.791 -5.098 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.559 11.560 -5.372 1.00 0.93 H new ATOM 0 HG2 GLU B 181 2.340 12.806 -3.035 1.00 1.69 H new ATOM 0 HG3 GLU B 181 3.943 13.392 -3.434 1.00 1.69 H new ATOM 2297 N ASP B 182 1.538 8.855 -3.894 1.00 0.77 N ATOM 2298 CA ASP B 182 0.843 7.713 -4.488 1.00 0.79 C ATOM 2299 C ASP B 182 -0.680 7.947 -4.531 1.00 0.97 C ATOM 2300 O ASP B 182 -1.348 7.930 -3.503 1.00 1.22 O ATOM 2301 CB ASP B 182 1.212 6.450 -3.696 1.00 0.90 C ATOM 2302 CG ASP B 182 0.173 6.049 -2.663 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -0.866 5.477 -3.056 1.00 2.06 O ATOM 2304 OD2 ASP B 182 0.399 6.308 -1.462 1.00 1.88 O ATOM 0 H ASP B 182 1.068 9.268 -3.089 1.00 0.77 H new ATOM 0 HA ASP B 182 1.159 7.586 -5.523 1.00 0.79 H new ATOM 0 HB2 ASP B 182 1.355 5.624 -4.393 1.00 0.90 H new ATOM 0 HB3 ASP B 182 2.166 6.613 -3.194 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.247 8.193 -5.732 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.688 8.462 -5.902 1.00 1.41 C ATOM 2311 C PRO B 183 -3.600 7.301 -5.496 1.00 1.28 C ATOM 2312 O PRO B 183 -4.771 7.514 -5.185 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.835 8.736 -7.404 1.00 1.79 C ATOM 2314 CG PRO B 183 -1.461 9.055 -7.883 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.527 8.262 -7.015 1.00 1.41 C ATOM 0 HA PRO B 183 -2.996 9.284 -5.256 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -3.241 7.868 -7.924 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -3.518 9.566 -7.587 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -1.341 8.786 -8.933 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -1.257 10.123 -7.802 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.338 7.270 -7.426 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.441 8.753 -6.909 1.00 1.41 H new ATOM 2323 N ALA B 184 -3.080 6.077 -5.519 1.00 1.13 N ATOM 2324 CA ALA B 184 -3.884 4.911 -5.158 1.00 1.18 C ATOM 2325 C ALA B 184 -4.325 4.947 -3.694 1.00 1.22 C ATOM 2326 O ALA B 184 -5.159 4.147 -3.271 1.00 1.56 O ATOM 2327 CB ALA B 184 -3.135 3.621 -5.462 1.00 1.21 C ATOM 0 H ALA B 184 -2.117 5.867 -5.780 1.00 1.13 H new ATOM 0 HA ALA B 184 -4.786 4.942 -5.769 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -3.753 2.767 -5.185 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -2.908 3.574 -6.527 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.206 3.597 -4.892 1.00 1.21 H new ATOM 2333 N CYS B 185 -3.762 5.869 -2.924 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.103 5.996 -1.513 1.00 1.23 C ATOM 2335 C CYS B 185 -4.460 7.428 -1.165 1.00 1.50 C ATOM 2336 O CYS B 185 -4.562 7.747 0.002 1.00 1.94 O ATOM 2337 CB CYS B 185 -2.895 5.625 -0.636 1.00 1.19 C ATOM 2338 SG CYS B 185 -2.770 3.884 -0.126 1.00 1.46 S ATOM 0 H CYS B 185 -3.067 6.540 -3.253 1.00 1.05 H new ATOM 0 HA CYS B 185 -4.948 5.332 -1.331 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -1.986 5.888 -1.177 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -2.922 6.243 0.262 1.00 1.19 H new ATOM 2343 N ASP B 186 -4.621 8.302 -2.147 1.00 1.54 N ATOM 2344 CA ASP B 186 -4.892 9.706 -1.818 1.00 1.92 C ATOM 2345 C ASP B 186 -6.299 9.920 -1.310 1.00 1.82 C ATOM 2346 O ASP B 186 -6.505 10.485 -0.238 1.00 2.28 O ATOM 2347 CB ASP B 186 -4.604 10.639 -2.998 1.00 2.44 C ATOM 2348 CG ASP B 186 -3.868 11.889 -2.555 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -4.533 12.828 -2.064 1.00 3.49 O ATOM 2350 OD2 ASP B 186 -2.626 11.927 -2.686 1.00 3.61 O ATOM 0 H ASP B 186 -4.573 8.084 -3.142 1.00 1.54 H new ATOM 0 HA ASP B 186 -4.206 9.959 -1.009 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -4.009 10.111 -3.743 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -5.542 10.919 -3.478 1.00 2.44 H new