USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=15 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 Set 1.1: B 175 SER OG : rot 171:sc= -0.0547 USER MOD Set 1.2: B 180 HIS : no HE2:sc= -2.87 K(o=-2.9,f=-5.9!) USER MOD Set 2.1: A 75 SER OG : rot 171:sc= -0.0517 USER MOD Set 2.2: A 80 HIS : no HE2:sc= -2.14 K(o=-2.2,f=-4.8) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00863 X(o=-0.0086,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0259) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0154 USER MOD Single : B 110 CYS SG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot 180:sc= -0.232 USER MOD Single : B 145 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 SER OG : rot 180:sc= 0.0218 USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 10.639 33.281 0.662 1.00 2.54 N ATOM 146 CA CYS A 10 10.530 31.893 1.084 1.00 1.93 C ATOM 147 C CYS A 10 9.108 31.336 1.194 1.00 1.72 C ATOM 148 O CYS A 10 8.603 31.209 2.310 1.00 1.97 O ATOM 149 CB CYS A 10 11.404 31.637 2.289 1.00 2.28 C ATOM 150 SG CYS A 10 13.134 31.274 1.795 1.00 2.68 S ATOM 0 HA CYS A 10 10.921 31.295 0.261 1.00 1.93 H new ATOM 0 HB2 CYS A 10 11.386 32.507 2.945 1.00 2.28 H new ATOM 0 HB3 CYS A 10 11.003 30.799 2.860 1.00 2.28 H new ATOM 0 HG CYS A 10 13.853 31.062 2.857 1.00 2.68 H new ATOM 155 N LEU A 11 8.457 30.983 0.073 1.00 1.49 N ATOM 156 CA LEU A 11 7.092 30.415 0.142 1.00 1.39 C ATOM 157 C LEU A 11 6.919 29.619 1.433 1.00 1.20 C ATOM 158 O LEU A 11 7.551 28.582 1.610 1.00 1.16 O ATOM 159 CB LEU A 11 6.771 29.497 -1.048 1.00 1.55 C ATOM 160 CG LEU A 11 7.813 29.433 -2.161 1.00 1.91 C ATOM 161 CD1 LEU A 11 7.729 28.096 -2.881 1.00 2.48 C ATOM 162 CD2 LEU A 11 7.613 30.580 -3.138 1.00 2.29 C ATOM 0 H LEU A 11 8.837 31.075 -0.869 1.00 1.49 H new ATOM 0 HA LEU A 11 6.403 31.259 0.114 1.00 1.39 H new ATOM 0 HB2 LEU A 11 6.616 28.487 -0.668 1.00 1.55 H new ATOM 0 HB3 LEU A 11 5.826 29.822 -1.484 1.00 1.55 H new ATOM 0 HG LEU A 11 8.805 29.527 -1.720 1.00 1.91 H new ATOM 0 HD11 LEU A 11 8.477 28.062 -3.673 1.00 2.48 H new ATOM 0 HD12 LEU A 11 7.914 27.289 -2.172 1.00 2.48 H new ATOM 0 HD13 LEU A 11 6.736 27.978 -3.315 1.00 2.48 H new ATOM 0 HD21 LEU A 11 8.363 30.521 -3.926 1.00 2.29 H new ATOM 0 HD22 LEU A 11 6.618 30.514 -3.578 1.00 2.29 H new ATOM 0 HD23 LEU A 11 7.714 31.529 -2.611 1.00 2.29 H new ATOM 174 N PRO A 12 6.103 30.103 2.370 1.00 1.19 N ATOM 175 CA PRO A 12 5.919 29.441 3.655 1.00 1.11 C ATOM 176 C PRO A 12 4.673 28.587 3.812 1.00 1.01 C ATOM 177 O PRO A 12 3.636 28.933 3.258 1.00 1.05 O ATOM 178 CB PRO A 12 5.707 30.656 4.565 1.00 1.29 C ATOM 179 CG PRO A 12 4.931 31.623 3.724 1.00 1.49 C ATOM 180 CD PRO A 12 5.343 31.368 2.292 1.00 1.39 C ATOM 0 HA PRO A 12 6.749 28.759 3.839 1.00 1.11 H new ATOM 0 HB2 PRO A 12 5.158 30.385 5.467 1.00 1.29 H new ATOM 0 HB3 PRO A 12 6.657 31.083 4.886 1.00 1.29 H new ATOM 0 HG2 PRO A 12 3.859 31.476 3.852 1.00 1.49 H new ATOM 0 HG3 PRO A 12 5.148 32.651 4.014 1.00 1.49 H new ATOM 0 HD2 PRO A 12 4.477 31.276 1.636 1.00 1.39 H new ATOM 0 HD3 PRO A 12 5.955 32.180 1.900 1.00 1.39 H new ATOM 188 N CYS A 13 4.750 27.413 4.453 1.00 0.93 N ATOM 189 CA CYS A 13 3.547 26.619 4.596 1.00 0.89 C ATOM 190 C CYS A 13 3.434 26.094 6.043 1.00 0.90 C ATOM 191 O CYS A 13 4.182 26.515 6.930 1.00 1.00 O ATOM 192 CB CYS A 13 3.567 25.488 3.564 1.00 0.82 C ATOM 193 SG CYS A 13 5.177 24.662 3.395 1.00 0.86 S ATOM 0 H CYS A 13 5.596 27.015 4.860 1.00 0.93 H new ATOM 0 HA CYS A 13 2.663 27.228 4.407 1.00 0.89 H new ATOM 0 HB2 CYS A 13 2.818 24.746 3.840 1.00 0.82 H new ATOM 0 HB3 CYS A 13 3.274 25.891 2.594 1.00 0.82 H new ATOM 198 N GLY A 14 2.547 25.117 6.251 1.00 0.91 N ATOM 199 CA GLY A 14 2.407 24.489 7.550 1.00 0.98 C ATOM 200 C GLY A 14 1.917 25.422 8.616 1.00 1.10 C ATOM 201 O GLY A 14 1.380 26.488 8.314 1.00 1.15 O ATOM 0 H GLY A 14 1.921 24.751 5.534 1.00 0.91 H new ATOM 0 HA2 GLY A 14 1.716 23.650 7.467 1.00 0.98 H new ATOM 0 HA3 GLY A 14 3.371 24.079 7.852 1.00 0.98 H new ATOM 205 N PRO A 15 2.147 25.087 9.891 1.00 1.19 N ATOM 206 CA PRO A 15 1.786 25.949 10.991 1.00 1.33 C ATOM 207 C PRO A 15 2.602 27.215 10.912 1.00 1.40 C ATOM 208 O PRO A 15 3.792 27.200 10.613 1.00 1.57 O ATOM 209 CB PRO A 15 2.167 25.137 12.219 1.00 1.46 C ATOM 210 CG PRO A 15 3.363 24.494 11.706 1.00 1.39 C ATOM 211 CD PRO A 15 2.897 23.926 10.391 1.00 1.21 C ATOM 0 HA PRO A 15 0.736 26.243 10.998 1.00 1.33 H new ATOM 0 HB2 PRO A 15 2.365 25.761 13.091 1.00 1.46 H new ATOM 0 HB3 PRO A 15 1.396 24.423 12.507 1.00 1.46 H new ATOM 0 HG2 PRO A 15 4.179 25.204 11.574 1.00 1.39 H new ATOM 0 HG3 PRO A 15 3.724 23.715 12.378 1.00 1.39 H new ATOM 0 HD2 PRO A 15 3.723 23.645 9.737 1.00 1.21 H new ATOM 0 HD3 PRO A 15 2.272 23.041 10.512 1.00 1.21 H new ATOM 219 N GLY A 16 1.942 28.274 11.162 1.00 1.34 N ATOM 220 CA GLY A 16 2.497 29.574 11.156 1.00 1.47 C ATOM 221 C GLY A 16 3.158 29.939 9.889 1.00 1.43 C ATOM 222 O GLY A 16 3.595 31.086 9.757 1.00 1.68 O ATOM 0 H GLY A 16 0.948 28.262 11.389 1.00 1.34 H new ATOM 0 HA2 GLY A 16 1.707 30.296 11.363 1.00 1.47 H new ATOM 0 HA3 GLY A 16 3.221 29.653 11.967 1.00 1.47 H new ATOM 226 N GLY A 17 3.304 29.022 8.932 1.00 1.28 N ATOM 227 CA GLY A 17 3.963 29.418 7.777 1.00 1.25 C ATOM 228 C GLY A 17 5.413 29.636 8.096 1.00 1.24 C ATOM 229 O GLY A 17 6.068 30.568 7.631 1.00 1.36 O ATOM 0 H GLY A 17 2.978 28.056 8.965 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.857 28.658 7.003 1.00 1.25 H new ATOM 0 HA3 GLY A 17 3.521 30.334 7.386 1.00 1.25 H new ATOM 233 N LYS A 18 5.886 28.691 8.917 1.00 1.18 N ATOM 234 CA LYS A 18 7.246 28.634 9.386 1.00 1.23 C ATOM 235 C LYS A 18 8.139 27.757 8.528 1.00 1.13 C ATOM 236 O LYS A 18 9.362 27.810 8.683 1.00 1.22 O ATOM 237 CB LYS A 18 7.278 28.143 10.831 1.00 1.28 C ATOM 238 CG LYS A 18 6.106 28.641 11.657 1.00 1.34 C ATOM 239 CD LYS A 18 6.573 29.461 12.846 1.00 1.73 C ATOM 240 CE LYS A 18 5.483 29.600 13.896 1.00 1.91 C ATOM 241 NZ LYS A 18 5.403 28.403 14.777 1.00 2.50 N ATOM 0 H LYS A 18 5.306 27.932 9.274 1.00 1.18 H new ATOM 0 HA LYS A 18 7.641 29.648 9.321 1.00 1.23 H new ATOM 0 HB2 LYS A 18 7.282 27.053 10.838 1.00 1.28 H new ATOM 0 HB3 LYS A 18 8.208 28.468 11.298 1.00 1.28 H new ATOM 0 HG2 LYS A 18 5.450 29.246 11.032 1.00 1.34 H new ATOM 0 HG3 LYS A 18 5.519 27.792 12.007 1.00 1.34 H new ATOM 0 HD2 LYS A 18 7.449 28.990 13.291 1.00 1.73 H new ATOM 0 HD3 LYS A 18 6.880 30.450 12.507 1.00 1.73 H new ATOM 0 HE2 LYS A 18 5.675 30.485 14.503 1.00 1.91 H new ATOM 0 HE3 LYS A 18 4.523 29.753 13.404 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 4.648 28.538 15.479 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 5.195 27.562 14.202 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 6.311 28.271 15.267 1.00 2.50 H new ATOM 255 N GLY A 19 7.601 26.962 7.593 1.00 1.02 N ATOM 256 CA GLY A 19 8.414 26.136 6.738 1.00 0.95 C ATOM 257 C GLY A 19 8.078 26.527 5.315 1.00 0.91 C ATOM 258 O GLY A 19 7.269 27.429 5.134 1.00 1.00 O ATOM 0 H GLY A 19 6.598 26.885 7.422 1.00 1.02 H new ATOM 0 HA2 GLY A 19 9.473 26.291 6.943 1.00 0.95 H new ATOM 0 HA3 GLY A 19 8.207 25.080 6.909 1.00 0.95 H new ATOM 262 N ARG A 20 8.696 25.938 4.305 1.00 0.86 N ATOM 263 CA ARG A 20 8.389 26.330 2.930 1.00 0.86 C ATOM 264 C ARG A 20 7.909 25.143 2.079 1.00 0.80 C ATOM 265 O ARG A 20 7.971 23.994 2.512 1.00 0.78 O ATOM 266 CB ARG A 20 9.618 26.971 2.308 1.00 0.94 C ATOM 267 CG ARG A 20 9.927 28.348 2.875 1.00 1.13 C ATOM 268 CD ARG A 20 11.180 28.327 3.734 1.00 1.55 C ATOM 269 NE ARG A 20 12.295 27.679 3.048 1.00 1.82 N ATOM 270 CZ ARG A 20 12.958 26.627 3.527 1.00 2.25 C ATOM 271 NH1 ARG A 20 12.641 26.100 4.703 1.00 2.59 N ATOM 272 NH2 ARG A 20 13.950 26.096 2.824 1.00 2.92 N ATOM 0 H ARG A 20 9.397 25.204 4.401 1.00 0.86 H new ATOM 0 HA ARG A 20 7.569 27.048 2.956 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.478 26.320 2.464 1.00 0.94 H new ATOM 0 HB3 ARG A 20 9.471 27.053 1.231 1.00 0.94 H new ATOM 0 HG2 ARG A 20 10.056 29.058 2.058 1.00 1.13 H new ATOM 0 HG3 ARG A 20 9.082 28.696 3.470 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.458 29.348 3.997 1.00 1.55 H new ATOM 0 HD3 ARG A 20 10.973 27.803 4.667 1.00 1.55 H new ATOM 0 HE ARG A 20 12.584 28.056 2.145 1.00 1.82 H new ATOM 0 HH11 ARG A 20 11.881 26.500 5.253 1.00 2.59 H new ATOM 0 HH12 ARG A 20 13.157 25.295 5.057 1.00 2.59 H new ATOM 0 HH21 ARG A 20 14.203 26.493 1.919 1.00 2.92 H new ATOM 0 HH22 ARG A 20 14.459 25.291 3.188 1.00 2.92 H new ATOM 286 N CYS A 21 7.413 25.432 0.870 1.00 0.82 N ATOM 287 CA CYS A 21 6.911 24.388 -0.032 1.00 0.81 C ATOM 288 C CYS A 21 7.759 24.274 -1.293 1.00 0.84 C ATOM 289 O CYS A 21 8.315 25.264 -1.769 1.00 1.04 O ATOM 290 CB CYS A 21 5.467 24.699 -0.454 1.00 0.91 C ATOM 291 SG CYS A 21 4.612 23.341 -1.297 1.00 1.10 S ATOM 0 H CYS A 21 7.348 26.378 0.494 1.00 0.82 H new ATOM 0 HA CYS A 21 6.958 23.447 0.516 1.00 0.81 H new ATOM 0 HB2 CYS A 21 4.896 24.975 0.432 1.00 0.91 H new ATOM 0 HB3 CYS A 21 5.475 25.568 -1.111 1.00 0.91 H new ATOM 296 N PHE A 22 7.813 23.070 -1.862 1.00 0.76 N ATOM 297 CA PHE A 22 8.546 22.849 -3.116 1.00 0.83 C ATOM 298 C PHE A 22 7.653 22.070 -4.073 1.00 0.94 C ATOM 299 O PHE A 22 7.436 22.481 -5.212 1.00 1.43 O ATOM 300 CB PHE A 22 9.888 22.140 -2.886 1.00 0.85 C ATOM 301 CG PHE A 22 9.781 20.696 -2.529 1.00 0.84 C ATOM 302 CD1 PHE A 22 9.481 20.318 -1.239 1.00 1.40 C ATOM 303 CD2 PHE A 22 9.991 19.716 -3.485 1.00 1.42 C ATOM 304 CE1 PHE A 22 9.390 18.992 -0.904 1.00 1.51 C ATOM 305 CE2 PHE A 22 9.900 18.381 -3.155 1.00 1.50 C ATOM 306 CZ PHE A 22 9.599 18.016 -1.860 1.00 1.14 C ATOM 0 H PHE A 22 7.363 22.237 -1.482 1.00 0.76 H new ATOM 0 HA PHE A 22 8.794 23.815 -3.556 1.00 0.83 H new ATOM 0 HB2 PHE A 22 10.491 22.232 -3.789 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.424 22.657 -2.091 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.316 21.073 -0.485 1.00 1.40 H new ATOM 0 HD2 PHE A 22 10.228 20.001 -4.499 1.00 1.42 H new ATOM 0 HE1 PHE A 22 9.154 18.709 0.111 1.00 1.51 H new ATOM 0 HE2 PHE A 22 10.064 17.624 -3.908 1.00 1.50 H new ATOM 0 HZ PHE A 22 9.527 16.972 -1.594 1.00 1.14 H new ATOM 316 N GLY A 23 7.080 20.982 -3.574 1.00 0.83 N ATOM 317 CA GLY A 23 6.150 20.204 -4.365 1.00 0.88 C ATOM 318 C GLY A 23 4.736 20.578 -3.973 1.00 0.88 C ATOM 319 O GLY A 23 4.517 21.682 -3.486 1.00 0.90 O ATOM 0 H GLY A 23 7.244 20.625 -2.633 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.309 20.393 -5.427 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.317 19.139 -4.202 1.00 0.88 H new ATOM 323 N PRO A 24 3.743 19.705 -4.157 1.00 1.01 N ATOM 324 CA PRO A 24 2.374 20.012 -3.789 1.00 1.07 C ATOM 325 C PRO A 24 2.027 19.509 -2.383 1.00 0.96 C ATOM 326 O PRO A 24 1.693 20.301 -1.502 1.00 1.03 O ATOM 327 CB PRO A 24 1.577 19.263 -4.855 1.00 1.32 C ATOM 328 CG PRO A 24 2.456 18.118 -5.288 1.00 1.50 C ATOM 329 CD PRO A 24 3.848 18.367 -4.737 1.00 1.24 C ATOM 0 HA PRO A 24 2.171 21.082 -3.753 1.00 1.07 H new ATOM 0 HB2 PRO A 24 0.630 18.901 -4.454 1.00 1.32 H new ATOM 0 HB3 PRO A 24 1.339 19.914 -5.696 1.00 1.32 H new ATOM 0 HG2 PRO A 24 2.062 17.172 -4.916 1.00 1.50 H new ATOM 0 HG3 PRO A 24 2.483 18.047 -6.375 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.124 17.624 -3.989 1.00 1.24 H new ATOM 0 HD3 PRO A 24 4.605 18.326 -5.521 1.00 1.24 H new ATOM 337 N SER A 25 2.123 18.194 -2.173 1.00 0.97 N ATOM 338 CA SER A 25 1.836 17.605 -0.864 1.00 0.92 C ATOM 339 C SER A 25 3.102 17.530 -0.028 1.00 0.78 C ATOM 340 O SER A 25 3.126 16.882 1.010 1.00 0.81 O ATOM 341 CB SER A 25 1.251 16.187 -1.013 1.00 1.12 C ATOM 342 OG SER A 25 -0.128 16.166 -0.681 1.00 1.26 O ATOM 0 H SER A 25 2.396 17.520 -2.889 1.00 0.97 H new ATOM 0 HA SER A 25 1.105 18.243 -0.368 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.387 15.840 -2.037 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.794 15.497 -0.368 1.00 1.12 H new ATOM 0 HG SER A 25 -0.476 15.256 -0.785 1.00 1.26 H new ATOM 348 N ILE A 26 4.168 18.162 -0.496 1.00 0.70 N ATOM 349 CA ILE A 26 5.425 18.102 0.210 1.00 0.61 C ATOM 350 C ILE A 26 5.918 19.486 0.637 1.00 0.58 C ATOM 351 O ILE A 26 6.188 20.376 -0.191 1.00 0.73 O ATOM 352 CB ILE A 26 6.471 17.364 -0.645 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.777 16.305 -1.514 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.534 16.742 0.232 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.613 15.831 -2.685 1.00 0.83 C ATOM 0 H ILE A 26 4.182 18.715 -1.353 1.00 0.70 H new ATOM 0 HA ILE A 26 5.268 17.541 1.131 1.00 0.61 H new ATOM 0 HB ILE A 26 6.965 18.080 -1.302 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.522 15.448 -0.891 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.840 16.715 -1.891 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.264 16.225 -0.392 1.00 0.74 H new ATOM 0 HG22 ILE A 26 8.035 17.522 0.806 1.00 0.74 H new ATOM 0 HG23 ILE A 26 7.071 16.030 0.915 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.056 15.085 -3.251 1.00 0.83 H new ATOM 0 HD12 ILE A 26 6.846 16.677 -3.331 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.539 15.390 -2.316 1.00 0.83 H new ATOM 367 N CYS A 27 6.031 19.644 1.957 1.00 0.56 N ATOM 368 CA CYS A 27 6.475 20.896 2.558 1.00 0.56 C ATOM 369 C CYS A 27 7.504 20.630 3.650 1.00 0.55 C ATOM 370 O CYS A 27 7.311 19.783 4.511 1.00 0.59 O ATOM 371 CB CYS A 27 5.286 21.658 3.139 1.00 0.60 C ATOM 372 SG CYS A 27 4.778 23.102 2.163 1.00 0.92 S ATOM 0 H CYS A 27 5.818 18.911 2.633 1.00 0.56 H new ATOM 0 HA CYS A 27 6.938 21.503 1.780 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.440 20.977 3.226 1.00 0.60 H new ATOM 0 HB3 CYS A 27 5.537 21.986 4.148 1.00 0.60 H new ATOM 377 N CYS A 28 8.606 21.348 3.576 1.00 0.56 N ATOM 378 CA CYS A 28 9.705 21.209 4.492 1.00 0.58 C ATOM 379 C CYS A 28 10.237 22.553 5.054 1.00 0.61 C ATOM 380 O CYS A 28 9.868 23.651 4.636 1.00 0.76 O ATOM 381 CB CYS A 28 10.855 20.448 3.811 1.00 0.65 C ATOM 382 SG CYS A 28 10.445 19.733 2.184 1.00 1.28 S ATOM 0 H CYS A 28 8.760 22.058 2.860 1.00 0.56 H new ATOM 0 HA CYS A 28 9.317 20.652 5.345 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.700 21.127 3.691 1.00 0.65 H new ATOM 0 HB3 CYS A 28 11.182 19.646 4.472 1.00 0.65 H new ATOM 387 N GLY A 29 11.155 22.359 6.023 1.00 0.62 N ATOM 388 CA GLY A 29 11.843 23.406 6.710 1.00 0.65 C ATOM 389 C GLY A 29 13.140 22.848 7.269 1.00 0.67 C ATOM 390 O GLY A 29 13.390 21.652 7.180 1.00 0.66 O ATOM 0 H GLY A 29 11.428 21.428 6.339 1.00 0.62 H new ATOM 0 HA2 GLY A 29 12.049 24.233 6.030 1.00 0.65 H new ATOM 0 HA3 GLY A 29 11.223 23.801 7.515 1.00 0.65 H new ATOM 394 N ASP A 30 13.944 23.685 7.864 1.00 0.72 N ATOM 395 CA ASP A 30 15.207 23.265 8.443 1.00 0.76 C ATOM 396 C ASP A 30 14.972 22.263 9.558 1.00 0.77 C ATOM 397 O ASP A 30 15.516 21.162 9.568 1.00 0.80 O ATOM 398 CB ASP A 30 15.981 24.472 8.975 1.00 0.84 C ATOM 399 CG ASP A 30 17.443 24.155 9.221 1.00 1.41 C ATOM 400 OD1 ASP A 30 17.755 23.570 10.280 1.00 2.27 O ATOM 401 OD2 ASP A 30 18.275 24.486 8.351 1.00 1.92 O ATOM 0 H ASP A 30 13.749 24.681 7.966 1.00 0.72 H new ATOM 0 HA ASP A 30 15.799 22.788 7.662 1.00 0.76 H new ATOM 0 HB2 ASP A 30 15.904 25.293 8.262 1.00 0.84 H new ATOM 0 HB3 ASP A 30 15.524 24.813 9.904 1.00 0.84 H new ATOM 406 N GLU A 31 14.132 22.673 10.464 1.00 0.78 N ATOM 407 CA GLU A 31 13.751 21.865 11.602 1.00 0.83 C ATOM 408 C GLU A 31 12.275 21.577 11.539 1.00 0.87 C ATOM 409 O GLU A 31 11.668 21.119 12.504 1.00 1.00 O ATOM 410 CB GLU A 31 14.119 22.521 12.926 1.00 0.90 C ATOM 411 CG GLU A 31 14.516 23.977 12.811 1.00 0.99 C ATOM 412 CD GLU A 31 15.425 24.415 13.938 1.00 1.14 C ATOM 413 OE1 GLU A 31 16.636 24.117 13.873 1.00 1.66 O ATOM 414 OE2 GLU A 31 14.926 25.055 14.886 1.00 1.64 O ATOM 0 H GLU A 31 13.683 23.588 10.439 1.00 0.78 H new ATOM 0 HA GLU A 31 14.309 20.930 11.554 1.00 0.83 H new ATOM 0 HB2 GLU A 31 13.271 22.440 13.606 1.00 0.90 H new ATOM 0 HB3 GLU A 31 14.942 21.967 13.376 1.00 0.90 H new ATOM 0 HG2 GLU A 31 15.019 24.140 11.858 1.00 0.99 H new ATOM 0 HG3 GLU A 31 13.619 24.597 12.809 1.00 0.99 H new ATOM 421 N LEU A 32 11.700 21.884 10.396 1.00 0.82 N ATOM 422 CA LEU A 32 10.326 21.669 10.152 1.00 0.88 C ATOM 423 C LEU A 32 10.226 20.489 9.216 1.00 0.82 C ATOM 424 O LEU A 32 9.144 19.993 8.899 1.00 0.90 O ATOM 425 CB LEU A 32 9.757 22.930 9.556 1.00 0.93 C ATOM 426 CG LEU A 32 8.564 23.502 10.306 1.00 1.15 C ATOM 427 CD1 LEU A 32 8.171 24.838 9.715 1.00 1.24 C ATOM 428 CD2 LEU A 32 7.402 22.528 10.278 1.00 1.37 C ATOM 0 H LEU A 32 12.200 22.296 9.609 1.00 0.82 H new ATOM 0 HA LEU A 32 9.759 21.446 11.056 1.00 0.88 H new ATOM 0 HB2 LEU A 32 10.542 23.685 9.519 1.00 0.93 H new ATOM 0 HB3 LEU A 32 9.460 22.728 8.527 1.00 0.93 H new ATOM 0 HG LEU A 32 8.843 23.658 11.348 1.00 1.15 H new ATOM 0 HD11 LEU A 32 7.316 25.239 10.259 1.00 1.24 H new ATOM 0 HD12 LEU A 32 9.009 25.531 9.793 1.00 1.24 H new ATOM 0 HD13 LEU A 32 7.905 24.708 8.666 1.00 1.24 H new ATOM 0 HD21 LEU A 32 6.557 22.954 10.819 1.00 1.37 H new ATOM 0 HD22 LEU A 32 7.112 22.337 9.245 1.00 1.37 H new ATOM 0 HD23 LEU A 32 7.701 21.592 10.750 1.00 1.37 H new ATOM 440 N GLY A 33 11.407 20.031 8.805 1.00 0.73 N ATOM 441 CA GLY A 33 11.505 18.900 7.953 1.00 0.71 C ATOM 442 C GLY A 33 10.553 18.956 6.788 1.00 0.67 C ATOM 443 O GLY A 33 10.312 20.015 6.242 1.00 0.65 O ATOM 0 H GLY A 33 12.302 20.446 9.063 1.00 0.73 H new ATOM 0 HA2 GLY A 33 12.525 18.822 7.578 1.00 0.71 H new ATOM 0 HA3 GLY A 33 11.309 17.998 8.532 1.00 0.71 H new ATOM 447 N CYS A 34 9.966 17.831 6.433 1.00 0.70 N ATOM 448 CA CYS A 34 9.031 17.819 5.320 1.00 0.69 C ATOM 449 C CYS A 34 7.819 16.987 5.580 1.00 0.65 C ATOM 450 O CYS A 34 7.913 15.776 5.759 1.00 0.62 O ATOM 451 CB CYS A 34 9.682 17.350 4.024 1.00 0.73 C ATOM 452 SG CYS A 34 9.092 18.251 2.554 1.00 1.08 S ATOM 0 H CYS A 34 10.113 16.929 6.886 1.00 0.70 H new ATOM 0 HA CYS A 34 8.718 18.857 5.211 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.763 17.468 4.105 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.487 16.286 3.892 1.00 0.73 H new ATOM 457 N PHE A 35 6.668 17.630 5.487 1.00 0.68 N ATOM 458 CA PHE A 35 5.442 16.920 5.618 1.00 0.67 C ATOM 459 C PHE A 35 5.124 16.474 4.223 1.00 0.64 C ATOM 460 O PHE A 35 4.731 17.289 3.385 1.00 0.63 O ATOM 461 CB PHE A 35 4.318 17.814 6.172 1.00 0.69 C ATOM 462 CG PHE A 35 4.796 19.129 6.720 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.340 19.208 7.991 1.00 0.98 C ATOM 464 CD2 PHE A 35 4.720 20.278 5.956 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.799 20.412 8.485 1.00 1.21 C ATOM 466 CE2 PHE A 35 5.174 21.485 6.448 1.00 1.38 C ATOM 467 CZ PHE A 35 5.715 21.552 7.713 1.00 1.26 C ATOM 0 H PHE A 35 6.573 18.632 5.323 1.00 0.68 H new ATOM 0 HA PHE A 35 5.528 16.091 6.321 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.595 18.004 5.379 1.00 0.69 H new ATOM 0 HB3 PHE A 35 3.793 17.273 6.959 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.406 18.319 8.601 1.00 0.98 H new ATOM 0 HD2 PHE A 35 4.300 20.231 4.962 1.00 1.16 H new ATOM 0 HE1 PHE A 35 6.224 20.462 9.477 1.00 1.21 H new ATOM 0 HE2 PHE A 35 5.105 22.376 5.842 1.00 1.38 H new ATOM 0 HZ PHE A 35 6.073 22.495 8.099 1.00 1.26 H new ATOM 477 N VAL A 36 5.293 15.202 3.944 1.00 0.67 N ATOM 478 CA VAL A 36 5.013 14.747 2.618 1.00 0.68 C ATOM 479 C VAL A 36 3.609 14.197 2.608 1.00 0.71 C ATOM 480 O VAL A 36 3.368 13.000 2.745 1.00 0.74 O ATOM 481 CB VAL A 36 6.065 13.720 2.112 1.00 0.74 C ATOM 482 CG1 VAL A 36 6.176 13.799 0.597 1.00 0.75 C ATOM 483 CG2 VAL A 36 7.436 13.984 2.760 1.00 0.76 C ATOM 0 H VAL A 36 5.613 14.489 4.600 1.00 0.67 H new ATOM 0 HA VAL A 36 5.082 15.579 1.917 1.00 0.68 H new ATOM 0 HB VAL A 36 5.740 12.719 2.395 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.915 13.077 0.248 1.00 0.75 H new ATOM 0 HG12 VAL A 36 5.208 13.573 0.149 1.00 0.75 H new ATOM 0 HG13 VAL A 36 6.485 14.803 0.307 1.00 0.75 H new ATOM 0 HG21 VAL A 36 8.158 13.255 2.393 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.772 14.989 2.504 1.00 0.76 H new ATOM 0 HG23 VAL A 36 7.350 13.896 3.843 1.00 0.76 H new ATOM 493 N GLY A 37 2.687 15.136 2.448 1.00 0.71 N ATOM 494 CA GLY A 37 1.261 14.814 2.410 1.00 0.76 C ATOM 495 C GLY A 37 0.508 15.139 3.703 1.00 0.72 C ATOM 496 O GLY A 37 0.423 14.311 4.602 1.00 0.81 O ATOM 0 H GLY A 37 2.898 16.128 2.342 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.799 15.359 1.587 1.00 0.76 H new ATOM 0 HA3 GLY A 37 1.146 13.752 2.193 1.00 0.76 H new ATOM 500 N THR A 38 -0.066 16.339 3.773 1.00 0.68 N ATOM 501 CA THR A 38 -0.851 16.782 4.936 1.00 0.68 C ATOM 502 C THR A 38 -1.309 18.209 4.702 1.00 0.72 C ATOM 503 O THR A 38 -0.801 18.855 3.783 1.00 0.77 O ATOM 504 CB THR A 38 -0.027 16.697 6.223 1.00 0.72 C ATOM 505 OG1 THR A 38 -0.532 17.588 7.202 1.00 0.77 O ATOM 506 CG2 THR A 38 1.436 17.019 6.021 1.00 0.76 C ATOM 0 H THR A 38 -0.003 17.034 3.029 1.00 0.68 H new ATOM 0 HA THR A 38 -1.714 16.127 5.052 1.00 0.68 H new ATOM 0 HB THR A 38 -0.111 15.661 6.550 1.00 0.72 H new ATOM 0 HG1 THR A 38 0.007 17.518 8.018 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.961 16.940 6.973 1.00 0.76 H new ATOM 0 HG22 THR A 38 1.868 16.316 5.309 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.535 18.034 5.635 1.00 0.76 H new ATOM 514 N ALA A 39 -2.251 18.750 5.492 1.00 0.77 N ATOM 515 CA ALA A 39 -2.683 20.117 5.280 1.00 0.86 C ATOM 516 C ALA A 39 -1.533 21.105 5.454 1.00 0.82 C ATOM 517 O ALA A 39 -1.612 22.251 5.014 1.00 0.86 O ATOM 518 CB ALA A 39 -3.815 20.462 6.240 1.00 1.02 C ATOM 0 H ALA A 39 -2.711 18.265 6.262 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.039 20.197 4.253 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.133 21.491 6.073 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -4.656 19.790 6.068 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -3.467 20.352 7.267 1.00 1.02 H new ATOM 524 N GLU A 40 -0.457 20.663 6.082 1.00 0.78 N ATOM 525 CA GLU A 40 0.692 21.528 6.269 1.00 0.79 C ATOM 526 C GLU A 40 1.291 21.890 4.906 1.00 0.74 C ATOM 527 O GLU A 40 2.096 22.812 4.791 1.00 0.79 O ATOM 528 CB GLU A 40 1.731 20.840 7.152 1.00 0.82 C ATOM 529 CG GLU A 40 1.793 21.395 8.567 1.00 1.25 C ATOM 530 CD GLU A 40 2.395 20.415 9.552 1.00 1.55 C ATOM 531 OE1 GLU A 40 2.901 19.365 9.107 1.00 2.32 O ATOM 532 OE2 GLU A 40 2.361 20.698 10.767 1.00 1.91 O ATOM 0 H GLU A 40 -0.356 19.723 6.466 1.00 0.78 H new ATOM 0 HA GLU A 40 0.376 22.445 6.767 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.507 19.774 7.198 1.00 0.82 H new ATOM 0 HB3 GLU A 40 2.712 20.940 6.688 1.00 0.82 H new ATOM 0 HG2 GLU A 40 2.381 22.313 8.568 1.00 1.25 H new ATOM 0 HG3 GLU A 40 0.788 21.661 8.893 1.00 1.25 H new ATOM 539 N ALA A 41 0.886 21.139 3.878 1.00 0.70 N ATOM 540 CA ALA A 41 1.371 21.355 2.523 1.00 0.71 C ATOM 541 C ALA A 41 0.226 21.536 1.529 1.00 0.78 C ATOM 542 O ALA A 41 0.465 21.848 0.365 1.00 0.87 O ATOM 543 CB ALA A 41 2.240 20.183 2.089 1.00 0.77 C ATOM 0 H ALA A 41 0.219 20.372 3.966 1.00 0.70 H new ATOM 0 HA ALA A 41 1.959 22.273 2.529 1.00 0.71 H new ATOM 0 HB1 ALA A 41 2.599 20.352 1.074 1.00 0.77 H new ATOM 0 HB2 ALA A 41 3.091 20.091 2.764 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.653 19.265 2.118 1.00 0.77 H new ATOM 549 N LEU A 42 -1.018 21.381 1.976 1.00 0.81 N ATOM 550 CA LEU A 42 -2.150 21.548 1.118 1.00 0.94 C ATOM 551 C LEU A 42 -2.331 23.022 0.858 1.00 1.05 C ATOM 552 O LEU A 42 -2.682 23.446 -0.242 1.00 1.23 O ATOM 553 CB LEU A 42 -3.353 20.946 1.826 1.00 0.98 C ATOM 554 CG LEU A 42 -4.352 21.953 2.371 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.761 21.401 2.293 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.031 22.371 3.792 1.00 1.16 C ATOM 0 H LEU A 42 -1.251 21.138 2.939 1.00 0.81 H new ATOM 0 HA LEU A 42 -2.021 21.048 0.158 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.870 20.284 1.131 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -2.998 20.328 2.650 1.00 0.98 H new ATOM 0 HG LEU A 42 -4.280 22.843 1.746 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -6.462 22.136 2.688 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -6.010 21.184 1.254 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -5.826 20.485 2.881 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -4.773 23.091 4.136 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -4.047 21.496 4.441 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -3.042 22.827 3.822 1.00 1.16 H new ATOM 568 N ARG A 43 -2.050 23.798 1.896 1.00 1.04 N ATOM 569 CA ARG A 43 -2.132 25.233 1.814 1.00 1.23 C ATOM 570 C ARG A 43 -1.122 25.740 0.812 1.00 1.24 C ATOM 571 O ARG A 43 -1.127 26.927 0.462 1.00 1.46 O ATOM 572 CB ARG A 43 -1.878 25.869 3.184 1.00 1.32 C ATOM 573 CG ARG A 43 -0.453 25.693 3.691 1.00 1.34 C ATOM 574 CD ARG A 43 0.010 26.902 4.489 1.00 1.50 C ATOM 575 NE ARG A 43 -0.887 27.204 5.603 1.00 1.88 N ATOM 576 CZ ARG A 43 -1.157 28.437 6.030 1.00 2.20 C ATOM 577 NH1 ARG A 43 -0.607 29.493 5.442 1.00 2.39 N ATOM 578 NH2 ARG A 43 -1.979 28.615 7.055 1.00 2.92 N ATOM 0 H ARG A 43 -1.762 23.445 2.808 1.00 1.04 H new ATOM 0 HA ARG A 43 -3.135 25.510 1.490 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -2.104 26.934 3.127 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -2.567 25.435 3.909 1.00 1.32 H new ATOM 0 HG2 ARG A 43 -0.396 24.801 4.315 1.00 1.34 H new ATOM 0 HG3 ARG A 43 0.218 25.535 2.846 1.00 1.34 H new ATOM 0 HD2 ARG A 43 1.014 26.720 4.872 1.00 1.50 H new ATOM 0 HD3 ARG A 43 0.073 27.768 3.830 1.00 1.50 H new ATOM 0 HE ARG A 43 -1.334 26.423 6.083 1.00 1.88 H new ATOM 0 HH11 ARG A 43 0.029 29.365 4.655 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -0.821 30.432 5.777 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -2.403 27.809 7.515 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -2.187 29.558 7.384 1.00 2.92 H new ATOM 592 N CYS A 44 -0.275 24.856 0.276 1.00 1.08 N ATOM 593 CA CYS A 44 0.681 25.261 -0.729 1.00 1.15 C ATOM 594 C CYS A 44 -0.007 25.293 -2.091 1.00 1.41 C ATOM 595 O CYS A 44 0.641 25.433 -3.128 1.00 1.57 O ATOM 596 CB CYS A 44 1.824 24.236 -0.706 1.00 1.04 C ATOM 597 SG CYS A 44 2.998 24.283 -2.091 1.00 1.28 S ATOM 0 H CYS A 44 -0.240 23.868 0.526 1.00 1.08 H new ATOM 0 HA CYS A 44 1.077 26.258 -0.533 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.385 24.374 0.219 1.00 1.04 H new ATOM 0 HB3 CYS A 44 1.385 23.239 -0.667 1.00 1.04 H new ATOM 602 N GLN A 45 -1.339 25.200 -2.075 1.00 1.55 N ATOM 603 CA GLN A 45 -2.121 25.247 -3.290 1.00 1.86 C ATOM 604 C GLN A 45 -2.138 26.666 -3.826 1.00 2.09 C ATOM 605 O GLN A 45 -2.417 26.895 -5.006 1.00 2.35 O ATOM 606 CB GLN A 45 -3.548 24.760 -3.023 1.00 1.97 C ATOM 607 CG GLN A 45 -3.863 23.415 -3.656 1.00 2.40 C ATOM 608 CD GLN A 45 -4.291 23.541 -5.105 1.00 2.73 C ATOM 609 OE1 GLN A 45 -3.924 24.496 -5.791 1.00 3.31 O ATOM 610 NE2 GLN A 45 -5.068 22.574 -5.580 1.00 3.02 N ATOM 0 H GLN A 45 -1.891 25.091 -1.224 1.00 1.55 H new ATOM 0 HA GLN A 45 -1.669 24.590 -4.033 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -3.703 24.690 -1.946 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -4.252 25.502 -3.399 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -2.984 22.773 -3.595 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -4.655 22.926 -3.088 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -5.348 21.801 -4.976 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -5.385 22.604 -6.549 1.00 3.02 H new ATOM 619 N GLU A 46 -1.807 27.631 -2.967 1.00 2.07 N ATOM 620 CA GLU A 46 -1.788 29.012 -3.421 1.00 2.35 C ATOM 621 C GLU A 46 -0.429 29.337 -4.037 1.00 2.34 C ATOM 622 O GLU A 46 -0.173 30.470 -4.453 1.00 2.50 O ATOM 623 CB GLU A 46 -2.127 29.974 -2.270 1.00 2.41 C ATOM 624 CG GLU A 46 -0.920 30.558 -1.548 1.00 2.80 C ATOM 625 CD GLU A 46 -0.111 29.506 -0.816 1.00 3.19 C ATOM 626 OE1 GLU A 46 0.771 28.888 -1.448 1.00 3.53 O ATOM 627 OE2 GLU A 46 -0.358 29.302 0.392 1.00 3.69 O ATOM 0 H GLU A 46 -1.558 27.486 -1.989 1.00 2.07 H new ATOM 0 HA GLU A 46 -2.553 29.142 -4.187 1.00 2.35 H new ATOM 0 HB2 GLU A 46 -2.728 30.793 -2.665 1.00 2.41 H new ATOM 0 HB3 GLU A 46 -2.746 29.446 -1.545 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -0.280 31.065 -2.270 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.257 31.312 -0.836 1.00 2.80 H new ATOM 634 N GLU A 47 0.416 28.312 -4.156 1.00 2.22 N ATOM 635 CA GLU A 47 1.716 28.475 -4.772 1.00 2.31 C ATOM 636 C GLU A 47 1.580 28.372 -6.288 1.00 2.34 C ATOM 637 O GLU A 47 2.562 28.491 -7.019 1.00 2.42 O ATOM 638 CB GLU A 47 2.691 27.410 -4.259 1.00 2.37 C ATOM 639 CG GLU A 47 4.056 27.963 -3.882 1.00 2.96 C ATOM 640 CD GLU A 47 4.927 28.239 -5.091 1.00 3.45 C ATOM 641 OE1 GLU A 47 5.269 27.277 -5.810 1.00 3.99 O ATOM 642 OE2 GLU A 47 5.268 29.420 -5.320 1.00 3.68 O ATOM 0 H GLU A 47 0.216 27.366 -3.832 1.00 2.22 H new ATOM 0 HA GLU A 47 2.110 29.457 -4.510 1.00 2.31 H new ATOM 0 HB2 GLU A 47 2.255 26.919 -3.389 1.00 2.37 H new ATOM 0 HB3 GLU A 47 2.817 26.646 -5.026 1.00 2.37 H new ATOM 0 HG2 GLU A 47 3.926 28.884 -3.314 1.00 2.96 H new ATOM 0 HG3 GLU A 47 4.563 27.254 -3.228 1.00 2.96 H new ATOM 769 N SER A 56 16.695 27.746 -3.359 1.00 2.28 N ATOM 770 CA SER A 56 17.183 26.880 -2.285 1.00 2.07 C ATOM 771 C SER A 56 17.303 25.416 -2.754 1.00 1.82 C ATOM 772 O SER A 56 17.367 25.156 -3.953 1.00 2.22 O ATOM 773 CB SER A 56 16.266 27.008 -1.062 1.00 2.60 C ATOM 774 OG SER A 56 16.849 27.849 -0.078 1.00 3.12 O ATOM 0 HA SER A 56 18.185 27.202 -2.002 1.00 2.07 H new ATOM 0 HB2 SER A 56 15.301 27.413 -1.367 1.00 2.60 H new ATOM 0 HB3 SER A 56 16.078 26.021 -0.638 1.00 2.60 H new ATOM 0 HG SER A 56 16.247 27.918 0.692 1.00 3.12 H new ATOM 780 N GLY A 57 17.225 24.459 -1.818 1.00 1.58 N ATOM 781 CA GLY A 57 17.257 23.077 -2.166 1.00 1.86 C ATOM 782 C GLY A 57 18.480 22.719 -2.944 1.00 1.68 C ATOM 783 O GLY A 57 18.379 22.178 -4.044 1.00 2.10 O ATOM 0 H GLY A 57 17.140 24.642 -0.818 1.00 1.58 H new ATOM 0 HA2 GLY A 57 17.217 22.475 -1.258 1.00 1.86 H new ATOM 0 HA3 GLY A 57 16.371 22.831 -2.752 1.00 1.86 H new ATOM 787 N GLN A 58 19.645 22.956 -2.364 1.00 1.37 N ATOM 788 CA GLN A 58 20.851 22.572 -3.040 1.00 1.46 C ATOM 789 C GLN A 58 21.568 21.582 -2.167 1.00 1.08 C ATOM 790 O GLN A 58 22.663 21.811 -1.662 1.00 1.00 O ATOM 791 CB GLN A 58 21.730 23.794 -3.306 1.00 1.97 C ATOM 792 CG GLN A 58 22.961 23.504 -4.149 1.00 2.80 C ATOM 793 CD GLN A 58 23.965 24.641 -4.109 1.00 3.61 C ATOM 794 OE1 GLN A 58 24.170 25.338 -5.103 1.00 3.96 O ATOM 795 NE2 GLN A 58 24.591 24.839 -2.955 1.00 4.36 N ATOM 0 H GLN A 58 19.771 23.399 -1.454 1.00 1.37 H new ATOM 0 HA GLN A 58 20.618 22.123 -4.006 1.00 1.46 H new ATOM 0 HB2 GLN A 58 21.132 24.556 -3.806 1.00 1.97 H new ATOM 0 HB3 GLN A 58 22.048 24.214 -2.352 1.00 1.97 H new ATOM 0 HG2 GLN A 58 23.436 22.590 -3.793 1.00 2.80 H new ATOM 0 HG3 GLN A 58 22.659 23.325 -5.181 1.00 2.80 H new ATOM 0 HE21 GLN A 58 24.390 24.237 -2.156 1.00 4.36 H new ATOM 0 HE22 GLN A 58 25.272 25.593 -2.867 1.00 4.36 H new ATOM 804 N LYS A 59 20.956 20.433 -2.112 1.00 1.17 N ATOM 805 CA LYS A 59 21.480 19.293 -1.364 1.00 1.13 C ATOM 806 C LYS A 59 21.156 18.028 -2.143 1.00 0.95 C ATOM 807 O LYS A 59 20.690 17.033 -1.596 1.00 0.88 O ATOM 808 CB LYS A 59 20.819 19.202 0.026 1.00 1.54 C ATOM 809 CG LYS A 59 21.464 20.074 1.090 1.00 1.90 C ATOM 810 CD LYS A 59 22.556 19.328 1.841 1.00 2.17 C ATOM 811 CE LYS A 59 23.932 19.878 1.505 1.00 2.82 C ATOM 812 NZ LYS A 59 24.148 21.227 2.095 1.00 3.55 N ATOM 0 H LYS A 59 20.071 20.245 -2.584 1.00 1.17 H new ATOM 0 HA LYS A 59 22.555 19.412 -1.232 1.00 1.13 H new ATOM 0 HB2 LYS A 59 19.769 19.480 -0.066 1.00 1.54 H new ATOM 0 HB3 LYS A 59 20.846 18.165 0.360 1.00 1.54 H new ATOM 0 HG2 LYS A 59 21.886 20.965 0.624 1.00 1.90 H new ATOM 0 HG3 LYS A 59 20.704 20.412 1.794 1.00 1.90 H new ATOM 0 HD2 LYS A 59 22.382 19.408 2.914 1.00 2.17 H new ATOM 0 HD3 LYS A 59 22.514 18.268 1.590 1.00 2.17 H new ATOM 0 HE2 LYS A 59 24.697 19.194 1.873 1.00 2.82 H new ATOM 0 HE3 LYS A 59 24.047 19.932 0.422 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 25.151 21.489 2.005 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 23.562 21.924 1.592 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 23.883 21.213 3.100 1.00 3.55 H new ATOM 826 N PRO A 60 21.387 18.079 -3.475 1.00 1.06 N ATOM 827 CA PRO A 60 21.114 16.974 -4.384 1.00 1.15 C ATOM 828 C PRO A 60 21.529 15.597 -3.877 1.00 1.10 C ATOM 829 O PRO A 60 22.709 15.288 -3.701 1.00 1.23 O ATOM 830 CB PRO A 60 21.891 17.333 -5.667 1.00 1.48 C ATOM 831 CG PRO A 60 22.622 18.603 -5.367 1.00 1.54 C ATOM 832 CD PRO A 60 21.898 19.241 -4.219 1.00 1.30 C ATOM 0 HA PRO A 60 20.037 16.875 -4.523 1.00 1.15 H new ATOM 0 HB2 PRO A 60 22.586 16.538 -5.937 1.00 1.48 H new ATOM 0 HB3 PRO A 60 21.212 17.464 -6.510 1.00 1.48 H new ATOM 0 HG2 PRO A 60 23.662 18.402 -5.108 1.00 1.54 H new ATOM 0 HG3 PRO A 60 22.631 19.261 -6.236 1.00 1.54 H new ATOM 0 HD2 PRO A 60 22.564 19.852 -3.609 1.00 1.30 H new ATOM 0 HD3 PRO A 60 21.092 19.891 -4.559 1.00 1.30 H new ATOM 840 N CYS A 61 20.506 14.782 -3.675 1.00 1.08 N ATOM 841 CA CYS A 61 20.636 13.400 -3.236 1.00 1.13 C ATOM 842 C CYS A 61 19.518 12.593 -3.873 1.00 1.36 C ATOM 843 O CYS A 61 18.675 13.177 -4.551 1.00 1.54 O ATOM 844 CB CYS A 61 20.469 13.329 -1.710 1.00 1.30 C ATOM 845 SG CYS A 61 18.879 12.600 -1.151 1.00 1.59 S ATOM 0 H CYS A 61 19.537 15.070 -3.815 1.00 1.08 H new ATOM 0 HA CYS A 61 21.614 13.011 -3.521 1.00 1.13 H new ATOM 0 HB2 CYS A 61 21.289 12.743 -1.294 1.00 1.30 H new ATOM 0 HB3 CYS A 61 20.557 14.335 -1.300 1.00 1.30 H new ATOM 850 N GLY A 62 19.516 11.268 -3.787 1.00 1.60 N ATOM 851 CA GLY A 62 18.436 10.535 -4.403 1.00 1.92 C ATOM 852 C GLY A 62 18.484 10.540 -5.896 1.00 2.10 C ATOM 853 O GLY A 62 19.487 10.921 -6.496 1.00 2.43 O ATOM 0 H GLY A 62 20.223 10.704 -3.315 1.00 1.60 H new ATOM 0 HA2 GLY A 62 18.461 9.504 -4.051 1.00 1.92 H new ATOM 0 HA3 GLY A 62 17.487 10.961 -4.077 1.00 1.92 H new ATOM 857 N SER A 63 17.394 10.087 -6.492 1.00 2.43 N ATOM 858 CA SER A 63 17.284 9.993 -7.936 1.00 2.98 C ATOM 859 C SER A 63 16.877 11.322 -8.557 1.00 2.74 C ATOM 860 O SER A 63 16.052 11.371 -9.469 1.00 3.32 O ATOM 861 CB SER A 63 16.271 8.911 -8.319 1.00 3.86 C ATOM 862 OG SER A 63 15.064 9.060 -7.590 1.00 4.11 O ATOM 0 H SER A 63 16.563 9.775 -5.989 1.00 2.43 H new ATOM 0 HA SER A 63 18.267 9.727 -8.324 1.00 2.98 H new ATOM 0 HB2 SER A 63 16.063 8.965 -9.388 1.00 3.86 H new ATOM 0 HB3 SER A 63 16.696 7.926 -8.127 1.00 3.86 H new ATOM 0 HG SER A 63 14.433 8.358 -7.854 1.00 4.11 H new ATOM 868 N GLY A 64 17.513 12.397 -8.088 1.00 2.15 N ATOM 869 CA GLY A 64 17.258 13.711 -8.644 1.00 2.11 C ATOM 870 C GLY A 64 16.689 14.727 -7.669 1.00 1.92 C ATOM 871 O GLY A 64 16.254 15.798 -8.100 1.00 2.21 O ATOM 0 H GLY A 64 18.199 12.377 -7.333 1.00 2.15 H new ATOM 0 HA2 GLY A 64 18.191 14.103 -9.050 1.00 2.11 H new ATOM 0 HA3 GLY A 64 16.566 13.606 -9.480 1.00 2.11 H new ATOM 875 N GLY A 65 16.646 14.428 -6.366 1.00 1.62 N ATOM 876 CA GLY A 65 16.077 15.380 -5.432 1.00 1.62 C ATOM 877 C GLY A 65 17.086 16.130 -4.578 1.00 1.43 C ATOM 878 O GLY A 65 18.227 15.706 -4.407 1.00 1.62 O ATOM 0 H GLY A 65 16.989 13.561 -5.953 1.00 1.62 H new ATOM 0 HA2 GLY A 65 15.488 16.106 -5.992 1.00 1.62 H new ATOM 0 HA3 GLY A 65 15.389 14.851 -4.773 1.00 1.62 H new ATOM 882 N ARG A 66 16.616 17.235 -4.007 1.00 1.17 N ATOM 883 CA ARG A 66 17.408 18.057 -3.103 1.00 1.03 C ATOM 884 C ARG A 66 16.925 17.812 -1.676 1.00 0.94 C ATOM 885 O ARG A 66 15.771 17.431 -1.477 1.00 1.04 O ATOM 886 CB ARG A 66 17.342 19.546 -3.454 1.00 1.10 C ATOM 887 CG ARG A 66 16.115 19.947 -4.259 1.00 1.26 C ATOM 888 CD ARG A 66 16.301 19.672 -5.742 1.00 1.41 C ATOM 889 NE ARG A 66 17.535 20.261 -6.259 1.00 1.78 N ATOM 890 CZ ARG A 66 17.951 20.124 -7.515 1.00 2.30 C ATOM 891 NH1 ARG A 66 17.226 19.437 -8.389 1.00 2.55 N ATOM 892 NH2 ARG A 66 19.093 20.677 -7.898 1.00 3.02 N ATOM 0 H ARG A 66 15.670 17.586 -4.160 1.00 1.17 H new ATOM 0 HA ARG A 66 18.455 17.770 -3.201 1.00 1.03 H new ATOM 0 HB2 ARG A 66 17.362 20.126 -2.531 1.00 1.10 H new ATOM 0 HB3 ARG A 66 18.235 19.814 -4.018 1.00 1.10 H new ATOM 0 HG2 ARG A 66 15.246 19.400 -3.894 1.00 1.26 H new ATOM 0 HG3 ARG A 66 15.911 21.007 -4.108 1.00 1.26 H new ATOM 0 HD2 ARG A 66 16.315 18.595 -5.912 1.00 1.41 H new ATOM 0 HD3 ARG A 66 15.450 20.071 -6.294 1.00 1.41 H new ATOM 0 HE ARG A 66 18.110 20.809 -5.619 1.00 1.78 H new ATOM 0 HH11 ARG A 66 16.346 19.011 -8.099 1.00 2.55 H new ATOM 0 HH12 ARG A 66 17.549 19.335 -9.351 1.00 2.55 H new ATOM 0 HH21 ARG A 66 19.652 21.207 -7.230 1.00 3.02 H new ATOM 0 HH22 ARG A 66 19.413 20.572 -8.861 1.00 3.02 H new ATOM 906 N CYS A 67 17.786 18.007 -0.679 1.00 0.87 N ATOM 907 CA CYS A 67 17.406 17.785 0.677 1.00 0.87 C ATOM 908 C CYS A 67 16.238 18.665 1.013 1.00 0.88 C ATOM 909 O CYS A 67 16.351 19.890 1.035 1.00 0.93 O ATOM 910 CB CYS A 67 18.570 18.072 1.620 1.00 0.93 C ATOM 911 SG CYS A 67 18.206 17.764 3.372 1.00 1.52 S ATOM 0 H CYS A 67 18.749 18.319 -0.805 1.00 0.87 H new ATOM 0 HA CYS A 67 17.124 16.739 0.799 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.421 17.459 1.325 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.871 19.113 1.501 1.00 0.93 H new ATOM 916 N ALA A 68 15.121 18.043 1.301 1.00 0.91 N ATOM 917 CA ALA A 68 13.948 18.784 1.661 1.00 0.98 C ATOM 918 C ALA A 68 14.271 19.523 2.938 1.00 0.98 C ATOM 919 O ALA A 68 13.928 20.688 3.127 1.00 1.07 O ATOM 920 CB ALA A 68 12.770 17.833 1.848 1.00 0.98 C ATOM 0 H ALA A 68 15.004 17.030 1.292 1.00 0.91 H new ATOM 0 HA ALA A 68 13.665 19.492 0.882 1.00 0.98 H new ATOM 0 HB1 ALA A 68 11.882 18.403 2.121 1.00 0.98 H new ATOM 0 HB2 ALA A 68 12.584 17.296 0.918 1.00 0.98 H new ATOM 0 HB3 ALA A 68 13.001 17.119 2.639 1.00 0.98 H new ATOM 926 N ALA A 69 14.824 18.752 3.850 1.00 0.92 N ATOM 927 CA ALA A 69 15.122 19.204 5.205 1.00 0.96 C ATOM 928 C ALA A 69 16.014 18.208 5.919 1.00 0.92 C ATOM 929 O ALA A 69 16.151 17.069 5.479 1.00 0.87 O ATOM 930 CB ALA A 69 13.849 19.356 5.971 1.00 1.00 C ATOM 0 H ALA A 69 15.085 17.781 3.676 1.00 0.92 H new ATOM 0 HA ALA A 69 15.640 20.161 5.144 1.00 0.96 H new ATOM 0 HB1 ALA A 69 14.072 19.694 6.983 1.00 1.00 H new ATOM 0 HB2 ALA A 69 13.212 20.089 5.476 1.00 1.00 H new ATOM 0 HB3 ALA A 69 13.333 18.397 6.014 1.00 1.00 H new ATOM 936 N ALA A 70 16.626 18.632 7.016 1.00 0.98 N ATOM 937 CA ALA A 70 17.516 17.738 7.768 1.00 1.00 C ATOM 938 C ALA A 70 16.925 16.338 7.936 1.00 1.04 C ATOM 939 O ALA A 70 15.789 16.170 8.377 1.00 1.24 O ATOM 940 CB ALA A 70 17.902 18.296 9.129 1.00 1.15 C ATOM 0 H ALA A 70 16.530 19.570 7.405 1.00 0.98 H new ATOM 0 HA ALA A 70 18.421 17.665 7.165 1.00 1.00 H new ATOM 0 HB1 ALA A 70 18.560 17.592 9.638 1.00 1.15 H new ATOM 0 HB2 ALA A 70 18.419 19.247 8.999 1.00 1.15 H new ATOM 0 HB3 ALA A 70 17.004 18.450 9.727 1.00 1.15 H new ATOM 946 N GLY A 71 17.741 15.343 7.616 1.00 1.15 N ATOM 947 CA GLY A 71 17.360 13.948 7.761 1.00 1.27 C ATOM 948 C GLY A 71 16.489 13.398 6.641 1.00 1.21 C ATOM 949 O GLY A 71 16.478 12.192 6.413 1.00 1.28 O ATOM 0 H GLY A 71 18.683 15.481 7.250 1.00 1.15 H new ATOM 0 HA2 GLY A 71 18.266 13.345 7.826 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.829 13.829 8.705 1.00 1.27 H new ATOM 953 N ILE A 72 15.733 14.252 5.963 1.00 1.12 N ATOM 954 CA ILE A 72 14.854 13.805 4.885 1.00 1.08 C ATOM 955 C ILE A 72 15.073 14.638 3.615 1.00 1.03 C ATOM 956 O ILE A 72 14.888 15.860 3.586 1.00 1.36 O ATOM 957 CB ILE A 72 13.398 13.848 5.331 1.00 1.52 C ATOM 958 CG1 ILE A 72 13.062 15.220 5.887 1.00 1.09 C ATOM 959 CG2 ILE A 72 13.131 12.762 6.362 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.068 15.913 5.026 1.00 0.92 C ATOM 0 H ILE A 72 15.709 15.257 6.138 1.00 1.12 H new ATOM 0 HA ILE A 72 15.103 12.771 4.646 1.00 1.08 H new ATOM 0 HB ILE A 72 12.757 13.663 4.469 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.666 15.120 6.898 1.00 1.09 H new ATOM 0 HG13 ILE A 72 13.969 15.820 5.957 1.00 1.09 H new ATOM 0 HG21 ILE A 72 12.087 12.804 6.672 1.00 2.27 H new ATOM 0 HG22 ILE A 72 13.341 11.786 5.925 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.774 12.917 7.229 1.00 2.27 H new ATOM 0 HD11 ILE A 72 11.844 16.894 5.446 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.476 16.033 4.023 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.154 15.322 4.977 1.00 0.92 H new ATOM 972 N CYS A 73 15.529 13.944 2.583 1.00 0.82 N ATOM 973 CA CYS A 73 15.849 14.537 1.292 1.00 1.07 C ATOM 974 C CYS A 73 14.783 14.177 0.256 1.00 1.08 C ATOM 975 O CYS A 73 14.607 13.009 -0.087 1.00 1.21 O ATOM 976 CB CYS A 73 17.243 14.067 0.874 1.00 1.19 C ATOM 977 SG CYS A 73 17.628 14.180 -0.900 1.00 1.98 S ATOM 0 H CYS A 73 15.690 12.937 2.619 1.00 0.82 H new ATOM 0 HA CYS A 73 15.855 15.625 1.365 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.981 14.652 1.423 1.00 1.19 H new ATOM 0 HB3 CYS A 73 17.363 13.029 1.186 1.00 1.19 H new ATOM 982 N CYS A 74 14.030 15.181 -0.183 1.00 0.98 N ATOM 983 CA CYS A 74 12.950 14.975 -1.129 1.00 0.99 C ATOM 984 C CYS A 74 13.429 14.962 -2.578 1.00 1.15 C ATOM 985 O CYS A 74 14.375 15.659 -2.960 1.00 1.33 O ATOM 986 CB CYS A 74 11.882 16.051 -0.942 1.00 1.13 C ATOM 987 SG CYS A 74 10.619 15.637 0.309 1.00 1.32 S ATOM 0 H CYS A 74 14.153 16.151 0.107 1.00 0.98 H new ATOM 0 HA CYS A 74 12.528 13.991 -0.924 1.00 0.99 H new ATOM 0 HB2 CYS A 74 12.368 16.984 -0.657 1.00 1.13 H new ATOM 0 HB3 CYS A 74 11.388 16.227 -1.897 1.00 1.13 H new ATOM 992 N SER A 75 12.726 14.166 -3.372 1.00 1.14 N ATOM 993 CA SER A 75 12.986 14.014 -4.795 1.00 1.36 C ATOM 994 C SER A 75 11.712 14.372 -5.550 1.00 1.28 C ATOM 995 O SER A 75 10.713 14.718 -4.920 1.00 1.10 O ATOM 996 CB SER A 75 13.419 12.571 -5.088 1.00 1.46 C ATOM 997 OG SER A 75 12.554 11.641 -4.461 1.00 1.99 O ATOM 0 H SER A 75 11.946 13.599 -3.039 1.00 1.14 H new ATOM 0 HA SER A 75 13.792 14.674 -5.116 1.00 1.36 H new ATOM 0 HB2 SER A 75 13.422 12.401 -6.165 1.00 1.46 H new ATOM 0 HB3 SER A 75 14.440 12.416 -4.738 1.00 1.46 H new ATOM 0 HG SER A 75 12.761 10.737 -4.778 1.00 1.99 H new ATOM 1003 N PRO A 76 11.689 14.310 -6.891 1.00 1.46 N ATOM 1004 CA PRO A 76 10.480 14.650 -7.634 1.00 1.42 C ATOM 1005 C PRO A 76 9.418 13.557 -7.511 1.00 1.18 C ATOM 1006 O PRO A 76 8.602 13.361 -8.411 1.00 1.22 O ATOM 1007 CB PRO A 76 10.971 14.771 -9.078 1.00 1.74 C ATOM 1008 CG PRO A 76 12.177 13.900 -9.148 1.00 1.86 C ATOM 1009 CD PRO A 76 12.806 13.928 -7.779 1.00 1.77 C ATOM 0 HA PRO A 76 10.005 15.558 -7.264 1.00 1.42 H new ATOM 0 HB2 PRO A 76 10.207 14.445 -9.784 1.00 1.74 H new ATOM 0 HB3 PRO A 76 11.215 15.804 -9.327 1.00 1.74 H new ATOM 0 HG2 PRO A 76 11.905 12.883 -9.429 1.00 1.86 H new ATOM 0 HG3 PRO A 76 12.874 14.263 -9.903 1.00 1.86 H new ATOM 0 HD2 PRO A 76 13.219 12.957 -7.508 1.00 1.77 H new ATOM 0 HD3 PRO A 76 13.623 14.648 -7.728 1.00 1.77 H new ATOM 1017 N ASP A 77 9.437 12.859 -6.372 1.00 0.99 N ATOM 1018 CA ASP A 77 8.481 11.797 -6.088 1.00 0.91 C ATOM 1019 C ASP A 77 8.148 11.756 -4.593 1.00 0.82 C ATOM 1020 O ASP A 77 6.977 11.710 -4.211 1.00 0.90 O ATOM 1021 CB ASP A 77 9.034 10.445 -6.546 1.00 1.16 C ATOM 1022 CG ASP A 77 10.388 10.135 -5.937 1.00 1.92 C ATOM 1023 OD1 ASP A 77 10.429 9.736 -4.755 1.00 2.65 O ATOM 1024 OD2 ASP A 77 11.407 10.295 -6.642 1.00 2.50 O ATOM 0 H ASP A 77 10.115 13.017 -5.626 1.00 0.99 H new ATOM 0 HA ASP A 77 7.564 12.004 -6.640 1.00 0.91 H new ATOM 0 HB2 ASP A 77 8.329 9.658 -6.277 1.00 1.16 H new ATOM 0 HB3 ASP A 77 9.118 10.440 -7.633 1.00 1.16 H new ATOM 1029 N GLY A 78 9.185 11.768 -3.751 1.00 0.88 N ATOM 1030 CA GLY A 78 8.967 11.726 -2.317 1.00 0.87 C ATOM 1031 C GLY A 78 10.112 12.300 -1.506 1.00 0.86 C ATOM 1032 O GLY A 78 10.715 13.306 -1.876 1.00 0.99 O ATOM 0 H GLY A 78 10.163 11.806 -4.038 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.056 12.276 -2.081 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.802 10.692 -2.014 1.00 0.87 H new ATOM 1036 N CYS A 79 10.402 11.642 -0.384 1.00 0.79 N ATOM 1037 CA CYS A 79 11.473 12.065 0.512 1.00 0.80 C ATOM 1038 C CYS A 79 12.191 10.855 1.096 1.00 0.78 C ATOM 1039 O CYS A 79 11.613 9.781 1.224 1.00 0.89 O ATOM 1040 CB CYS A 79 10.914 12.933 1.638 1.00 0.94 C ATOM 1041 SG CYS A 79 11.643 14.599 1.720 1.00 1.34 S ATOM 0 H CYS A 79 9.904 10.807 -0.074 1.00 0.79 H new ATOM 0 HA CYS A 79 12.188 12.652 -0.064 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.835 13.025 1.510 1.00 0.94 H new ATOM 0 HB3 CYS A 79 11.080 12.428 2.589 1.00 0.94 H new ATOM 1046 N HIS A 80 13.457 11.018 1.459 1.00 0.71 N ATOM 1047 CA HIS A 80 14.214 9.892 2.007 1.00 0.76 C ATOM 1048 C HIS A 80 15.346 10.352 2.907 1.00 0.70 C ATOM 1049 O HIS A 80 15.784 11.496 2.838 1.00 0.67 O ATOM 1050 CB HIS A 80 14.778 9.047 0.862 1.00 0.87 C ATOM 1051 CG HIS A 80 15.189 9.863 -0.326 1.00 0.99 C ATOM 1052 ND1 HIS A 80 14.288 10.351 -1.251 1.00 1.64 N ATOM 1053 CD2 HIS A 80 16.407 10.296 -0.726 1.00 1.76 C ATOM 1054 CE1 HIS A 80 14.935 11.047 -2.167 1.00 2.09 C ATOM 1055 NE2 HIS A 80 16.220 11.030 -1.871 1.00 2.17 N ATOM 0 H HIS A 80 13.974 11.894 1.388 1.00 0.71 H new ATOM 0 HA HIS A 80 13.531 9.296 2.613 1.00 0.76 H new ATOM 0 HB2 HIS A 80 15.639 8.484 1.224 1.00 0.87 H new ATOM 0 HB3 HIS A 80 14.028 8.319 0.553 1.00 0.87 H new ATOM 0 HD1 HIS A 80 13.280 10.198 -1.230 1.00 1.64 H new ATOM 0 HD2 HIS A 80 17.350 10.101 -0.236 1.00 1.76 H new ATOM 0 HE1 HIS A 80 14.488 11.545 -3.015 1.00 2.09 H new ATOM 1064 N GLU A 81 15.819 9.446 3.750 1.00 0.75 N ATOM 1065 CA GLU A 81 16.903 9.761 4.661 1.00 0.77 C ATOM 1066 C GLU A 81 18.148 10.172 3.881 1.00 0.72 C ATOM 1067 O GLU A 81 18.454 9.602 2.834 1.00 0.92 O ATOM 1068 CB GLU A 81 17.179 8.556 5.586 1.00 0.94 C ATOM 1069 CG GLU A 81 18.523 7.857 5.384 1.00 1.70 C ATOM 1070 CD GLU A 81 19.436 7.993 6.587 1.00 2.35 C ATOM 1071 OE1 GLU A 81 19.092 7.449 7.658 1.00 2.71 O ATOM 1072 OE2 GLU A 81 20.494 8.646 6.460 1.00 3.05 O ATOM 0 H GLU A 81 15.469 8.491 3.820 1.00 0.75 H new ATOM 0 HA GLU A 81 16.616 10.606 5.287 1.00 0.77 H new ATOM 0 HB2 GLU A 81 17.119 8.895 6.620 1.00 0.94 H new ATOM 0 HB3 GLU A 81 16.385 7.823 5.444 1.00 0.94 H new ATOM 0 HG2 GLU A 81 18.352 6.800 5.180 1.00 1.70 H new ATOM 0 HG3 GLU A 81 19.018 8.275 4.507 1.00 1.70 H new ATOM 1079 N ASP A 82 18.851 11.172 4.393 1.00 0.76 N ATOM 1080 CA ASP A 82 20.062 11.668 3.740 1.00 0.77 C ATOM 1081 C ASP A 82 21.151 11.990 4.781 1.00 0.96 C ATOM 1082 O ASP A 82 20.848 12.485 5.866 1.00 1.21 O ATOM 1083 CB ASP A 82 19.719 12.892 2.887 1.00 0.86 C ATOM 1084 CG ASP A 82 19.495 14.138 3.715 1.00 1.34 C ATOM 1085 OD1 ASP A 82 18.415 14.254 4.333 1.00 1.82 O ATOM 1086 OD2 ASP A 82 20.399 14.996 3.746 1.00 2.02 O ATOM 0 H ASP A 82 18.607 11.657 5.256 1.00 0.76 H new ATOM 0 HA ASP A 82 20.462 10.893 3.086 1.00 0.77 H new ATOM 0 HB2 ASP A 82 20.526 13.073 2.178 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.823 12.683 2.303 1.00 0.86 H new ATOM 1091 N PRO A 83 22.432 11.668 4.480 1.00 1.15 N ATOM 1092 CA PRO A 83 23.556 11.882 5.408 1.00 1.42 C ATOM 1093 C PRO A 83 24.031 13.333 5.493 1.00 1.28 C ATOM 1094 O PRO A 83 24.596 13.743 6.508 1.00 1.40 O ATOM 1095 CB PRO A 83 24.678 10.995 4.843 1.00 1.81 C ATOM 1096 CG PRO A 83 24.075 10.238 3.702 1.00 1.93 C ATOM 1097 CD PRO A 83 22.889 11.033 3.240 1.00 1.42 C ATOM 0 HA PRO A 83 23.256 11.637 6.427 1.00 1.42 H new ATOM 0 HB2 PRO A 83 25.521 11.599 4.507 1.00 1.81 H new ATOM 0 HB3 PRO A 83 25.057 10.314 5.605 1.00 1.81 H new ATOM 0 HG2 PRO A 83 24.797 10.114 2.895 1.00 1.93 H new ATOM 0 HG3 PRO A 83 23.773 9.239 4.016 1.00 1.93 H new ATOM 0 HD2 PRO A 83 23.163 11.769 2.484 1.00 1.42 H new ATOM 0 HD3 PRO A 83 22.120 10.397 2.802 1.00 1.42 H new ATOM 1105 N ALA A 84 23.797 14.111 4.446 1.00 1.13 N ATOM 1106 CA ALA A 84 24.191 15.511 4.450 1.00 1.17 C ATOM 1107 C ALA A 84 23.358 16.221 5.488 1.00 1.20 C ATOM 1108 O ALA A 84 23.857 17.000 6.301 1.00 1.53 O ATOM 1109 CB ALA A 84 24.003 16.135 3.072 1.00 1.21 C ATOM 0 H ALA A 84 23.340 13.799 3.589 1.00 1.13 H new ATOM 0 HA ALA A 84 25.249 15.603 4.694 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.305 17.182 3.102 1.00 1.21 H new ATOM 0 HB2 ALA A 84 24.615 15.602 2.345 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.954 16.068 2.782 1.00 1.21 H new ATOM 1115 N CYS A 85 22.079 15.893 5.469 1.00 1.02 N ATOM 1116 CA CYS A 85 21.129 16.422 6.414 1.00 1.19 C ATOM 1117 C CYS A 85 20.886 15.390 7.503 1.00 1.46 C ATOM 1118 O CYS A 85 19.856 14.741 7.542 1.00 1.88 O ATOM 1119 CB CYS A 85 19.831 16.786 5.712 1.00 1.15 C ATOM 1120 SG CYS A 85 20.040 17.824 4.236 1.00 1.42 S ATOM 0 H CYS A 85 21.674 15.248 4.791 1.00 1.02 H new ATOM 0 HA CYS A 85 21.528 17.330 6.866 1.00 1.19 H new ATOM 0 HB2 CYS A 85 19.317 15.868 5.426 1.00 1.15 H new ATOM 0 HB3 CYS A 85 19.184 17.306 6.418 1.00 1.15 H new ATOM 1125 N ASP A 86 21.860 15.241 8.369 1.00 1.53 N ATOM 1126 CA ASP A 86 21.796 14.297 9.466 1.00 1.90 C ATOM 1127 C ASP A 86 22.947 14.473 10.434 1.00 1.82 C ATOM 1128 O ASP A 86 23.291 13.526 11.146 1.00 2.29 O ATOM 1129 CB ASP A 86 21.884 12.878 8.961 1.00 2.43 C ATOM 1130 CG ASP A 86 20.657 12.046 9.283 1.00 3.07 C ATOM 1131 OD1 ASP A 86 20.263 12.004 10.467 1.00 3.60 O ATOM 1132 OD2 ASP A 86 20.092 11.432 8.352 1.00 3.47 O ATOM 0 H ASP A 86 22.728 15.775 8.334 1.00 1.53 H new ATOM 0 HA ASP A 86 20.846 14.487 9.965 1.00 1.90 H new ATOM 0 HB2 ASP A 86 22.030 12.893 7.881 1.00 2.43 H new ATOM 0 HB3 ASP A 86 22.762 12.400 9.395 1.00 2.43 H new ATOM 1363 N CYS B 110 -3.898 2.270 17.454 1.00 2.52 N ATOM 1364 CA CYS B 110 -3.313 3.094 16.414 1.00 1.89 C ATOM 1365 C CYS B 110 -2.335 4.162 16.892 1.00 1.69 C ATOM 1366 O CYS B 110 -2.707 5.334 16.951 1.00 1.94 O ATOM 1367 CB CYS B 110 -4.388 3.603 15.479 1.00 2.23 C ATOM 1368 SG CYS B 110 -4.776 2.377 14.170 1.00 2.61 S ATOM 0 HA CYS B 110 -2.655 2.442 15.840 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -5.290 3.827 16.048 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -4.061 4.536 15.020 1.00 2.23 H new ATOM 0 HG CYS B 110 -5.703 2.852 13.392 1.00 2.61 H new ATOM 1373 N LEU B 111 -1.088 3.792 17.215 1.00 1.46 N ATOM 1374 CA LEU B 111 -0.104 4.795 17.655 1.00 1.37 C ATOM 1375 C LEU B 111 -0.384 6.137 16.964 1.00 1.20 C ATOM 1376 O LEU B 111 -0.187 6.265 15.763 1.00 1.18 O ATOM 1377 CB LEU B 111 1.347 4.368 17.358 1.00 1.54 C ATOM 1378 CG LEU B 111 1.547 2.949 16.820 1.00 1.90 C ATOM 1379 CD1 LEU B 111 2.816 2.880 15.984 1.00 2.47 C ATOM 1380 CD2 LEU B 111 1.609 1.949 17.964 1.00 2.26 C ATOM 0 H LEU B 111 -0.741 2.833 17.182 1.00 1.46 H new ATOM 0 HA LEU B 111 -0.208 4.892 18.736 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.767 5.068 16.636 1.00 1.54 H new ATOM 0 HB3 LEU B 111 1.927 4.469 18.276 1.00 1.54 H new ATOM 0 HG LEU B 111 0.697 2.693 16.187 1.00 1.90 H new ATOM 0 HD11 LEU B 111 2.948 1.866 15.606 1.00 2.47 H new ATOM 0 HD12 LEU B 111 2.737 3.572 15.146 1.00 2.47 H new ATOM 0 HD13 LEU B 111 3.673 3.152 16.600 1.00 2.47 H new ATOM 0 HD21 LEU B 111 1.751 0.946 17.563 1.00 2.26 H new ATOM 0 HD22 LEU B 111 2.442 2.199 18.621 1.00 2.26 H new ATOM 0 HD23 LEU B 111 0.678 1.985 18.529 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.850 7.145 17.719 1.00 1.19 N ATOM 1393 CA PRO B 112 -1.174 8.478 17.212 1.00 1.12 C ATOM 1394 C PRO B 112 0.074 9.347 17.101 1.00 1.03 C ATOM 1395 O PRO B 112 0.920 9.283 17.992 1.00 1.06 O ATOM 1396 CB PRO B 112 -2.200 9.004 18.193 1.00 1.30 C ATOM 1397 CG PRO B 112 -1.884 8.333 19.482 1.00 1.47 C ATOM 1398 CD PRO B 112 -1.111 7.069 19.168 1.00 1.37 C ATOM 0 HA PRO B 112 -1.573 8.471 16.198 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -2.136 10.088 18.287 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -3.213 8.772 17.866 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -1.296 8.991 20.121 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -2.800 8.096 20.024 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -0.182 7.020 19.736 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -1.687 6.179 19.421 1.00 1.37 H new ATOM 1406 N CYS B 113 0.034 10.395 16.285 1.00 0.94 N ATOM 1407 CA CYS B 113 1.098 11.404 16.392 1.00 0.90 C ATOM 1408 C CYS B 113 0.583 12.746 15.851 1.00 0.91 C ATOM 1409 O CYS B 113 -0.601 12.879 15.545 1.00 1.00 O ATOM 1410 CB CYS B 113 2.398 10.951 15.697 1.00 0.83 C ATOM 1411 SG CYS B 113 2.164 10.191 14.065 1.00 0.87 S ATOM 0 H CYS B 113 -0.679 10.570 15.577 1.00 0.94 H new ATOM 0 HA CYS B 113 1.357 11.532 17.443 1.00 0.90 H new ATOM 0 HB2 CYS B 113 3.056 11.814 15.590 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.910 10.239 16.344 1.00 0.83 H new ATOM 1416 N GLY B 114 1.492 13.711 15.659 1.00 0.92 N ATOM 1417 CA GLY B 114 1.117 14.986 15.076 1.00 0.99 C ATOM 1418 C GLY B 114 0.166 15.779 15.930 1.00 1.11 C ATOM 1419 O GLY B 114 0.025 15.504 17.121 1.00 1.16 O ATOM 0 H GLY B 114 2.480 13.626 15.899 1.00 0.92 H new ATOM 0 HA2 GLY B 114 2.017 15.576 14.903 1.00 0.99 H new ATOM 0 HA3 GLY B 114 0.659 14.811 14.102 1.00 0.99 H new ATOM 1423 N PRO B 115 -0.570 16.730 15.330 1.00 1.19 N ATOM 1424 CA PRO B 115 -1.579 17.504 16.032 1.00 1.33 C ATOM 1425 C PRO B 115 -2.622 16.533 16.511 1.00 1.40 C ATOM 1426 O PRO B 115 -2.993 15.598 15.798 1.00 1.57 O ATOM 1427 CB PRO B 115 -2.108 18.455 14.975 1.00 1.46 C ATOM 1428 CG PRO B 115 -2.017 17.591 13.811 1.00 1.39 C ATOM 1429 CD PRO B 115 -0.612 17.050 13.896 1.00 1.21 C ATOM 0 HA PRO B 115 -1.228 18.061 16.901 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -3.129 18.780 15.177 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -1.500 19.354 14.878 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -2.759 16.793 13.842 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -2.181 18.143 12.885 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -0.460 16.174 13.265 1.00 1.21 H new ATOM 0 HD3 PRO B 115 0.139 17.785 13.607 1.00 1.21 H new ATOM 1437 N GLY B 116 -3.145 16.796 17.658 1.00 1.35 N ATOM 1438 CA GLY B 116 -4.176 16.029 18.253 1.00 1.48 C ATOM 1439 C GLY B 116 -3.934 14.576 18.293 1.00 1.44 C ATOM 1440 O GLY B 116 -4.745 13.849 18.868 1.00 1.70 O ATOM 0 H GLY B 116 -2.850 17.588 18.230 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -4.329 16.384 19.272 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -5.103 16.212 17.709 1.00 1.48 H new ATOM 1444 N GLY B 117 -2.862 14.094 17.711 1.00 1.29 N ATOM 1445 CA GLY B 117 -2.687 12.711 17.747 1.00 1.26 C ATOM 1446 C GLY B 117 -3.745 12.042 16.894 1.00 1.26 C ATOM 1447 O GLY B 117 -4.327 11.014 17.246 1.00 1.38 O ATOM 0 H GLY B 117 -2.140 14.633 17.232 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -1.693 12.451 17.382 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -2.754 12.353 18.774 1.00 1.26 H new ATOM 1451 N LYS B 118 -3.983 12.713 15.760 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.965 12.317 14.763 1.00 1.25 C ATOM 1453 C LYS B 118 -4.376 11.425 13.666 1.00 1.15 C ATOM 1454 O LYS B 118 -5.123 10.806 12.912 1.00 1.25 O ATOM 1455 CB LYS B 118 -5.602 13.562 14.154 1.00 1.30 C ATOM 1456 CG LYS B 118 -5.798 14.690 15.158 1.00 1.36 C ATOM 1457 CD LYS B 118 -7.263 15.065 15.297 1.00 1.78 C ATOM 1458 CE LYS B 118 -7.432 16.430 15.944 1.00 1.95 C ATOM 1459 NZ LYS B 118 -7.251 17.539 14.966 1.00 2.54 N ATOM 0 H LYS B 118 -3.482 13.566 15.512 1.00 1.19 H new ATOM 0 HA LYS B 118 -5.723 11.720 15.270 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -4.977 13.918 13.335 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -6.568 13.295 13.725 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -5.406 14.386 16.129 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.227 15.563 14.842 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -7.734 15.067 14.314 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -7.777 14.312 15.895 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -8.424 16.499 16.390 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -6.710 16.539 16.753 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -7.375 18.452 15.449 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -6.296 17.490 14.558 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -7.956 17.451 14.207 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.043 11.355 13.581 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.388 10.514 12.584 1.00 0.97 C ATOM 1475 C GLY B 119 -1.666 9.410 13.299 1.00 0.93 C ATOM 1476 O GLY B 119 -1.795 9.337 14.515 1.00 1.02 O ATOM 0 H GLY B 119 -2.404 11.868 14.188 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.123 10.102 11.893 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -1.689 11.103 11.991 1.00 0.97 H new ATOM 1480 N ARG B 120 -0.835 8.585 12.662 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.133 7.557 13.402 1.00 0.87 C ATOM 1482 C ARG B 120 1.324 7.516 12.922 1.00 0.80 C ATOM 1483 O ARG B 120 1.673 8.169 11.936 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.804 6.232 13.116 1.00 0.95 C ATOM 1485 CG ARG B 120 -2.089 5.972 13.880 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.281 5.901 12.929 1.00 1.60 C ATOM 1487 NE ARG B 120 -3.048 4.965 11.825 1.00 1.82 N ATOM 1488 CZ ARG B 120 -3.092 5.297 10.531 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -3.364 6.542 10.160 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -2.862 4.377 9.605 1.00 2.89 N ATOM 0 H ARG B 120 -0.640 8.612 11.661 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.155 7.761 14.473 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.019 6.176 12.049 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.099 5.432 13.342 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -2.005 5.038 14.435 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -2.249 6.764 14.612 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -4.169 5.595 13.483 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.483 6.894 12.526 1.00 1.60 H new ATOM 0 HE ARG B 120 -2.838 3.995 12.060 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -3.542 7.257 10.865 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -3.395 6.784 9.170 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -2.652 3.418 9.880 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -2.895 4.628 8.617 1.00 2.89 H new ATOM 1504 N CYS B 121 2.172 6.779 13.632 1.00 0.82 N ATOM 1505 CA CYS B 121 3.594 6.698 13.285 1.00 0.81 C ATOM 1506 C CYS B 121 4.004 5.298 12.846 1.00 0.85 C ATOM 1507 O CYS B 121 3.443 4.306 13.306 1.00 1.05 O ATOM 1508 CB CYS B 121 4.437 7.090 14.503 1.00 0.91 C ATOM 1509 SG CYS B 121 6.194 7.367 14.165 1.00 1.07 S ATOM 0 H CYS B 121 1.905 6.230 14.449 1.00 0.82 H new ATOM 0 HA CYS B 121 3.763 7.380 12.451 1.00 0.81 H new ATOM 0 HB2 CYS B 121 4.019 7.998 14.937 1.00 0.91 H new ATOM 0 HB3 CYS B 121 4.347 6.306 15.255 1.00 0.91 H new ATOM 1514 N PHE B 122 5.029 5.224 11.997 1.00 0.76 N ATOM 1515 CA PHE B 122 5.563 3.930 11.554 1.00 0.84 C ATOM 1516 C PHE B 122 7.079 3.955 11.691 1.00 0.95 C ATOM 1517 O PHE B 122 7.673 3.076 12.316 1.00 1.44 O ATOM 1518 CB PHE B 122 5.126 3.581 10.125 1.00 0.86 C ATOM 1519 CG PHE B 122 5.791 4.379 9.054 1.00 0.86 C ATOM 1520 CD1 PHE B 122 5.355 5.653 8.763 1.00 1.41 C ATOM 1521 CD2 PHE B 122 6.845 3.846 8.331 1.00 1.42 C ATOM 1522 CE1 PHE B 122 5.959 6.387 7.772 1.00 1.53 C ATOM 1523 CE2 PHE B 122 7.456 4.577 7.336 1.00 1.50 C ATOM 1524 CZ PHE B 122 7.013 5.848 7.054 1.00 1.15 C ATOM 0 H PHE B 122 5.505 6.036 11.603 1.00 0.76 H new ATOM 0 HA PHE B 122 5.155 3.143 12.188 1.00 0.84 H new ATOM 0 HB2 PHE B 122 5.325 2.524 9.947 1.00 0.86 H new ATOM 0 HB3 PHE B 122 4.048 3.720 10.046 1.00 0.86 H new ATOM 0 HD1 PHE B 122 4.532 6.078 9.318 1.00 1.41 H new ATOM 0 HD2 PHE B 122 7.192 2.847 8.550 1.00 1.42 H new ATOM 0 HE1 PHE B 122 5.612 7.386 7.552 1.00 1.53 H new ATOM 0 HE2 PHE B 122 8.279 4.154 6.780 1.00 1.50 H new ATOM 0 HZ PHE B 122 7.487 6.425 6.273 1.00 1.15 H new ATOM 1534 N GLY B 123 7.692 5.008 11.164 1.00 0.84 N ATOM 1535 CA GLY B 123 9.123 5.180 11.302 1.00 0.89 C ATOM 1536 C GLY B 123 9.399 6.152 12.429 1.00 0.89 C ATOM 1537 O GLY B 123 8.571 6.289 13.323 1.00 0.90 O ATOM 0 H GLY B 123 7.221 5.747 10.642 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.599 4.221 11.508 1.00 0.89 H new ATOM 0 HA3 GLY B 123 9.548 5.554 10.371 1.00 0.89 H new ATOM 1541 N PRO B 124 10.536 6.851 12.439 1.00 1.02 N ATOM 1542 CA PRO B 124 10.843 7.802 13.492 1.00 1.08 C ATOM 1543 C PRO B 124 10.430 9.231 13.119 1.00 0.96 C ATOM 1544 O PRO B 124 9.592 9.833 13.791 1.00 1.02 O ATOM 1545 CB PRO B 124 12.362 7.678 13.606 1.00 1.33 C ATOM 1546 CG PRO B 124 12.834 7.224 12.249 1.00 1.51 C ATOM 1547 CD PRO B 124 11.618 6.782 11.457 1.00 1.26 C ATOM 0 HA PRO B 124 10.310 7.599 14.421 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.814 8.632 13.879 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.640 6.961 14.378 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.351 8.034 11.734 1.00 1.51 H new ATOM 0 HG3 PRO B 124 13.545 6.403 12.347 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.432 7.437 10.606 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.740 5.773 11.062 1.00 1.26 H new ATOM 1555 N SER B 125 11.007 9.762 12.039 1.00 0.97 N ATOM 1556 CA SER B 125 10.674 11.112 11.576 1.00 0.92 C ATOM 1557 C SER B 125 9.528 11.059 10.580 1.00 0.76 C ATOM 1558 O SER B 125 9.236 12.043 9.913 1.00 0.78 O ATOM 1559 CB SER B 125 11.885 11.786 10.906 1.00 1.12 C ATOM 1560 OG SER B 125 12.414 12.811 11.729 1.00 1.25 O ATOM 0 H SER B 125 11.704 9.281 11.471 1.00 0.97 H new ATOM 0 HA SER B 125 10.382 11.696 12.449 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.655 11.041 10.705 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.587 12.204 9.944 1.00 1.12 H new ATOM 0 HG SER B 125 13.183 13.224 11.284 1.00 1.25 H new ATOM 1566 N ILE B 126 8.901 9.901 10.449 1.00 0.70 N ATOM 1567 CA ILE B 126 7.834 9.745 9.490 1.00 0.60 C ATOM 1568 C ILE B 126 6.511 9.353 10.144 1.00 0.57 C ATOM 1569 O ILE B 126 6.375 8.284 10.766 1.00 0.74 O ATOM 1570 CB ILE B 126 8.242 8.729 8.413 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.759 8.799 8.189 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.497 9.017 7.127 1.00 0.72 C ATOM 1573 CD1 ILE B 126 10.330 7.604 7.455 1.00 0.85 C ATOM 0 H ILE B 126 9.114 9.065 10.993 1.00 0.70 H new ATOM 0 HA ILE B 126 7.668 10.715 9.021 1.00 0.60 H new ATOM 0 HB ILE B 126 7.984 7.723 8.743 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.991 9.703 7.626 1.00 0.79 H new ATOM 0 HG13 ILE B 126 10.255 8.889 9.156 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.790 8.293 6.367 1.00 0.72 H new ATOM 0 HG22 ILE B 126 6.424 8.943 7.304 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.739 10.023 6.783 1.00 0.72 H new ATOM 0 HD11 ILE B 126 11.406 7.730 7.337 1.00 0.85 H new ATOM 0 HD12 ILE B 126 10.131 6.697 8.026 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.864 7.523 6.473 1.00 0.85 H new ATOM 1585 N CYS B 127 5.532 10.245 9.981 1.00 0.54 N ATOM 1586 CA CYS B 127 4.200 10.047 10.541 1.00 0.53 C ATOM 1587 C CYS B 127 3.128 10.386 9.511 1.00 0.53 C ATOM 1588 O CYS B 127 3.178 11.421 8.863 1.00 0.56 O ATOM 1589 CB CYS B 127 4.015 10.912 11.786 1.00 0.56 C ATOM 1590 SG CYS B 127 4.055 9.989 13.351 1.00 0.89 S ATOM 0 H CYS B 127 5.641 11.116 9.462 1.00 0.54 H new ATOM 0 HA CYS B 127 4.099 8.998 10.818 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.796 11.672 11.806 1.00 0.56 H new ATOM 0 HB3 CYS B 127 3.062 11.437 11.711 1.00 0.56 H new ATOM 1595 N CYS B 128 2.184 9.478 9.357 1.00 0.53 N ATOM 1596 CA CYS B 128 1.112 9.604 8.403 1.00 0.56 C ATOM 1597 C CYS B 128 -0.307 9.336 8.992 1.00 0.60 C ATOM 1598 O CYS B 128 -0.485 8.877 10.119 1.00 0.76 O ATOM 1599 CB CYS B 128 1.374 8.679 7.202 1.00 0.63 C ATOM 1600 SG CYS B 128 3.027 7.901 7.171 1.00 1.23 S ATOM 0 H CYS B 128 2.145 8.618 9.904 1.00 0.53 H new ATOM 0 HA CYS B 128 1.106 10.648 8.089 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.619 7.893 7.197 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.242 9.253 6.285 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.281 9.604 8.090 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.675 9.405 8.321 1.00 0.65 C ATOM 1607 C GLY B 129 -3.378 9.267 6.996 1.00 0.66 C ATOM 1608 O GLY B 129 -2.763 9.437 5.951 1.00 0.64 O ATOM 0 H GLY B 129 -1.080 9.975 7.162 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.832 8.512 8.925 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.087 10.245 8.880 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.663 9.006 7.027 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.439 8.871 5.818 1.00 0.76 C ATOM 1614 C ASP B 130 -5.408 10.167 5.065 1.00 0.77 C ATOM 1615 O ASP B 130 -5.031 10.216 3.890 1.00 0.81 O ATOM 1616 CB ASP B 130 -6.875 8.455 6.129 1.00 0.84 C ATOM 1617 CG ASP B 130 -7.594 7.916 4.907 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -8.082 8.734 4.099 1.00 2.35 O ATOM 1619 OD2 ASP B 130 -7.666 6.678 4.758 1.00 1.96 O ATOM 0 H ASP B 130 -5.198 8.882 7.887 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.002 8.086 5.201 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -6.870 7.695 6.910 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.422 9.312 6.522 1.00 0.84 H new ATOM 1624 N GLU B 131 -5.793 11.224 5.739 1.00 0.79 N ATOM 1625 CA GLU B 131 -5.774 12.519 5.137 1.00 0.85 C ATOM 1626 C GLU B 131 -4.895 13.417 5.977 1.00 0.89 C ATOM 1627 O GLU B 131 -5.039 14.638 6.001 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.204 13.096 5.133 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.186 12.375 6.064 1.00 1.02 C ATOM 1630 CD GLU B 131 -9.636 12.564 5.654 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.064 11.923 4.672 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -10.345 13.351 6.318 1.00 1.63 O ATOM 0 H GLU B 131 -6.122 11.204 6.704 1.00 0.79 H new ATOM 0 HA GLU B 131 -5.398 12.455 4.116 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.158 14.147 5.418 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -7.594 13.058 4.116 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -7.953 11.310 6.076 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.051 12.742 7.081 1.00 1.02 H new ATOM 1639 N LEU B 132 -3.936 12.780 6.594 1.00 0.83 N ATOM 1640 CA LEU B 132 -2.993 13.433 7.414 1.00 0.89 C ATOM 1641 C LEU B 132 -1.681 13.116 6.794 1.00 0.83 C ATOM 1642 O LEU B 132 -0.633 13.638 7.170 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.113 12.886 8.827 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.276 13.938 9.925 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.455 13.273 11.276 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.093 14.889 9.946 1.00 1.38 C ATOM 0 H LEU B 132 -3.799 11.771 6.529 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.134 14.511 7.486 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.967 12.210 8.865 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.226 12.292 9.045 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.171 14.521 9.707 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.569 14.037 12.045 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.344 12.642 11.256 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.581 12.661 11.499 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.234 15.627 10.736 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.178 14.327 10.133 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.017 15.396 8.984 1.00 1.38 H new ATOM 1658 N GLY B 133 -1.794 12.292 5.753 1.00 0.72 N ATOM 1659 CA GLY B 133 -0.685 11.926 4.979 1.00 0.70 C ATOM 1660 C GLY B 133 0.527 11.624 5.816 1.00 0.66 C ATOM 1661 O GLY B 133 0.395 11.022 6.864 1.00 0.65 O ATOM 0 H GLY B 133 -2.675 11.876 5.449 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -0.937 11.050 4.381 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -0.450 12.731 4.283 1.00 0.70 H new ATOM 1665 N CYS B 134 1.712 12.015 5.384 1.00 0.69 N ATOM 1666 CA CYS B 134 2.899 11.704 6.163 1.00 0.68 C ATOM 1667 C CYS B 134 3.858 12.843 6.273 1.00 0.64 C ATOM 1668 O CYS B 134 4.400 13.312 5.275 1.00 0.62 O ATOM 1669 CB CYS B 134 3.641 10.500 5.594 1.00 0.72 C ATOM 1670 SG CYS B 134 4.355 9.420 6.875 1.00 1.08 S ATOM 0 H CYS B 134 1.878 12.535 4.522 1.00 0.69 H new ATOM 0 HA CYS B 134 2.525 11.480 7.162 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.955 9.917 4.979 1.00 0.72 H new ATOM 0 HB3 CYS B 134 4.438 10.850 4.939 1.00 0.72 H new ATOM 1675 N PHE B 135 4.139 13.228 7.508 1.00 0.67 N ATOM 1676 CA PHE B 135 5.107 14.245 7.736 1.00 0.66 C ATOM 1677 C PHE B 135 6.409 13.505 7.825 1.00 0.64 C ATOM 1678 O PHE B 135 6.672 12.824 8.819 1.00 0.64 O ATOM 1679 CB PHE B 135 4.830 15.012 9.042 1.00 0.70 C ATOM 1680 CG PHE B 135 3.479 14.735 9.640 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.346 15.367 9.155 1.00 0.96 C ATOM 1682 CD2 PHE B 135 3.345 13.825 10.672 1.00 1.15 C ATOM 1683 CE1 PHE B 135 1.104 15.093 9.693 1.00 1.19 C ATOM 1684 CE2 PHE B 135 2.107 13.552 11.215 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.989 14.184 10.727 1.00 1.23 C ATOM 0 H PHE B 135 3.706 12.846 8.349 1.00 0.67 H new ATOM 0 HA PHE B 135 5.099 14.996 6.946 1.00 0.66 H new ATOM 0 HB2 PHE B 135 5.598 14.756 9.772 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.918 16.081 8.849 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.435 16.080 8.349 1.00 0.96 H new ATOM 0 HD2 PHE B 135 4.220 13.322 11.057 1.00 1.15 H new ATOM 0 HE1 PHE B 135 0.225 15.588 9.307 1.00 1.19 H new ATOM 0 HE2 PHE B 135 2.016 12.842 12.023 1.00 1.36 H new ATOM 0 HZ PHE B 135 0.019 13.970 11.152 1.00 1.23 H new ATOM 1695 N VAL B 136 7.228 13.608 6.803 1.00 0.66 N ATOM 1696 CA VAL B 136 8.472 12.905 6.843 1.00 0.68 C ATOM 1697 C VAL B 136 9.526 13.864 7.341 1.00 0.71 C ATOM 1698 O VAL B 136 10.253 14.501 6.580 1.00 0.74 O ATOM 1699 CB VAL B 136 8.832 12.284 5.466 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.742 11.078 5.651 1.00 0.75 C ATOM 1701 CG2 VAL B 136 7.556 11.889 4.702 1.00 0.74 C ATOM 0 H VAL B 136 7.056 14.157 5.961 1.00 0.66 H new ATOM 0 HA VAL B 136 8.402 12.057 7.525 1.00 0.68 H new ATOM 0 HB VAL B 136 9.365 13.031 4.877 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.986 10.653 4.677 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.659 11.388 6.152 1.00 0.75 H new ATOM 0 HG13 VAL B 136 9.233 10.328 6.257 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.828 11.456 3.739 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.995 11.158 5.284 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.940 12.774 4.541 1.00 0.74 H new ATOM 1711 N GLY B 137 9.567 13.950 8.663 1.00 0.72 N ATOM 1712 CA GLY B 137 10.518 14.826 9.343 1.00 0.76 C ATOM 1713 C GLY B 137 9.910 16.130 9.866 1.00 0.73 C ATOM 1714 O GLY B 137 9.859 17.128 9.157 1.00 0.83 O ATOM 0 H GLY B 137 8.955 13.426 9.288 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.960 14.284 10.179 1.00 0.76 H new ATOM 0 HA3 GLY B 137 11.328 15.067 8.655 1.00 0.76 H new ATOM 1718 N THR B 138 9.481 16.118 11.127 1.00 0.69 N ATOM 1719 CA THR B 138 8.901 17.298 11.786 1.00 0.70 C ATOM 1720 C THR B 138 8.489 16.912 13.199 1.00 0.73 C ATOM 1721 O THR B 138 8.451 15.722 13.505 1.00 0.77 O ATOM 1722 CB THR B 138 7.707 17.841 10.996 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.843 18.585 11.838 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.886 16.762 10.329 1.00 0.77 C ATOM 0 H THR B 138 9.524 15.293 11.725 1.00 0.69 H new ATOM 0 HA THR B 138 9.645 18.093 11.826 1.00 0.70 H new ATOM 0 HB THR B 138 8.140 18.472 10.220 1.00 0.73 H new ATOM 0 HG1 THR B 138 6.088 18.924 11.314 1.00 0.78 H new ATOM 0 HG21 THR B 138 6.057 17.218 9.787 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.513 16.206 9.632 1.00 0.77 H new ATOM 0 HG23 THR B 138 6.495 16.082 11.086 1.00 0.77 H new ATOM 1732 N ALA B 139 8.136 17.867 14.070 1.00 0.79 N ATOM 1733 CA ALA B 139 7.711 17.518 15.414 1.00 0.88 C ATOM 1734 C ALA B 139 6.427 16.698 15.395 1.00 0.83 C ATOM 1735 O ALA B 139 6.082 16.040 16.373 1.00 0.87 O ATOM 1736 CB ALA B 139 7.499 18.786 16.233 1.00 1.04 C ATOM 0 H ALA B 139 8.139 18.866 13.865 1.00 0.79 H new ATOM 0 HA ALA B 139 8.494 16.911 15.869 1.00 0.88 H new ATOM 0 HB1 ALA B 139 7.180 18.519 17.241 1.00 1.04 H new ATOM 0 HB2 ALA B 139 8.432 19.346 16.284 1.00 1.04 H new ATOM 0 HB3 ALA B 139 6.732 19.400 15.761 1.00 1.04 H new ATOM 1742 N GLU B 140 5.742 16.696 14.265 1.00 0.79 N ATOM 1743 CA GLU B 140 4.528 15.916 14.143 1.00 0.79 C ATOM 1744 C GLU B 140 4.865 14.427 14.247 1.00 0.73 C ATOM 1745 O GLU B 140 3.984 13.591 14.451 1.00 0.79 O ATOM 1746 CB GLU B 140 3.824 16.227 12.824 1.00 0.83 C ATOM 1747 CG GLU B 140 2.581 17.092 12.984 1.00 1.27 C ATOM 1748 CD GLU B 140 2.212 17.823 11.709 1.00 1.55 C ATOM 1749 OE1 GLU B 140 2.830 17.539 10.664 1.00 2.31 O ATOM 1750 OE2 GLU B 140 1.300 18.676 11.756 1.00 1.90 O ATOM 0 H GLU B 140 6.003 17.220 13.429 1.00 0.79 H new ATOM 0 HA GLU B 140 3.848 16.179 14.953 1.00 0.79 H new ATOM 0 HB2 GLU B 140 4.524 16.732 12.159 1.00 0.83 H new ATOM 0 HB3 GLU B 140 3.545 15.290 12.342 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.745 16.466 13.295 1.00 1.27 H new ATOM 0 HG3 GLU B 140 2.748 17.818 13.779 1.00 1.27 H new ATOM 1757 N ALA B 141 6.156 14.105 14.092 1.00 0.69 N ATOM 1758 CA ALA B 141 6.628 12.732 14.155 1.00 0.70 C ATOM 1759 C ALA B 141 7.704 12.551 15.234 1.00 0.77 C ATOM 1760 O ALA B 141 8.101 11.431 15.531 1.00 0.87 O ATOM 1761 CB ALA B 141 7.157 12.300 12.797 1.00 0.75 C ATOM 0 H ALA B 141 6.892 14.790 13.921 1.00 0.69 H new ATOM 0 HA ALA B 141 5.783 12.099 14.427 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.508 11.270 12.854 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.360 12.371 12.057 1.00 0.75 H new ATOM 0 HB3 ALA B 141 7.982 12.949 12.505 1.00 0.75 H new ATOM 1767 N LEU B 142 8.211 13.655 15.783 1.00 0.80 N ATOM 1768 CA LEU B 142 9.239 13.598 16.778 1.00 0.93 C ATOM 1769 C LEU B 142 8.645 13.020 18.046 1.00 1.06 C ATOM 1770 O LEU B 142 9.277 12.238 18.760 1.00 1.24 O ATOM 1771 CB LEU B 142 9.758 15.009 16.984 1.00 0.97 C ATOM 1772 CG LEU B 142 9.356 15.648 18.293 1.00 1.01 C ATOM 1773 CD1 LEU B 142 10.458 16.556 18.800 1.00 1.11 C ATOM 1774 CD2 LEU B 142 8.064 16.422 18.181 1.00 1.14 C ATOM 0 H LEU B 142 7.912 14.600 15.541 1.00 0.80 H new ATOM 0 HA LEU B 142 10.071 12.961 16.477 1.00 0.93 H new ATOM 0 HB2 LEU B 142 10.846 14.993 16.923 1.00 0.97 H new ATOM 0 HB3 LEU B 142 9.402 15.635 16.166 1.00 0.97 H new ATOM 0 HG LEU B 142 9.194 14.839 19.005 1.00 1.01 H new ATOM 0 HD11 LEU B 142 10.152 17.008 19.743 1.00 1.11 H new ATOM 0 HD12 LEU B 142 11.367 15.974 18.954 1.00 1.11 H new ATOM 0 HD13 LEU B 142 10.649 17.340 18.067 1.00 1.11 H new ATOM 0 HD21 LEU B 142 7.818 16.862 19.148 1.00 1.14 H new ATOM 0 HD22 LEU B 142 8.177 17.214 17.440 1.00 1.14 H new ATOM 0 HD23 LEU B 142 7.263 15.750 17.874 1.00 1.14 H new ATOM 1786 N ARG B 143 7.398 13.396 18.292 1.00 1.06 N ATOM 1787 CA ARG B 143 6.666 12.909 19.435 1.00 1.26 C ATOM 1788 C ARG B 143 6.448 11.419 19.305 1.00 1.27 C ATOM 1789 O ARG B 143 5.967 10.769 20.244 1.00 1.49 O ATOM 1790 CB ARG B 143 5.306 13.613 19.536 1.00 1.35 C ATOM 1791 CG ARG B 143 4.339 13.253 18.412 1.00 1.36 C ATOM 1792 CD ARG B 143 2.899 13.210 18.901 1.00 1.50 C ATOM 1793 NE ARG B 143 2.493 14.465 19.528 1.00 1.90 N ATOM 1794 CZ ARG B 143 1.653 14.546 20.560 1.00 2.20 C ATOM 1795 NH1 ARG B 143 1.128 13.448 21.091 1.00 2.36 N ATOM 1796 NH2 ARG B 143 1.334 15.731 21.061 1.00 2.93 N ATOM 0 H ARG B 143 6.874 14.044 17.704 1.00 1.06 H new ATOM 0 HA ARG B 143 7.245 13.119 20.335 1.00 1.26 H new ATOM 0 HB2 ARG B 143 4.847 13.360 20.492 1.00 1.35 H new ATOM 0 HB3 ARG B 143 5.465 14.691 19.534 1.00 1.35 H new ATOM 0 HG2 ARG B 143 4.428 13.983 17.607 1.00 1.36 H new ATOM 0 HG3 ARG B 143 4.611 12.283 17.995 1.00 1.36 H new ATOM 0 HD2 ARG B 143 2.238 12.994 18.062 1.00 1.50 H new ATOM 0 HD3 ARG B 143 2.784 12.395 19.615 1.00 1.50 H new ATOM 0 HE ARG B 143 2.876 15.333 19.153 1.00 1.90 H new ATOM 0 HH11 ARG B 143 1.367 12.533 20.709 1.00 2.36 H new ATOM 0 HH12 ARG B 143 0.486 13.520 21.881 1.00 2.36 H new ATOM 0 HH21 ARG B 143 1.731 16.579 20.657 1.00 2.93 H new ATOM 0 HH22 ARG B 143 0.691 15.795 21.851 1.00 2.93 H new ATOM 1810 N CYS B 144 6.894 10.821 18.197 1.00 1.10 N ATOM 1811 CA CYS B 144 6.788 9.391 18.033 1.00 1.17 C ATOM 1812 C CYS B 144 7.966 8.719 18.732 1.00 1.44 C ATOM 1813 O CYS B 144 8.188 7.517 18.598 1.00 1.61 O ATOM 1814 CB CYS B 144 6.777 9.097 16.529 1.00 1.05 C ATOM 1815 SG CYS B 144 6.990 7.364 16.033 1.00 1.26 S ATOM 0 H CYS B 144 7.326 11.310 17.413 1.00 1.10 H new ATOM 0 HA CYS B 144 5.874 9.000 18.480 1.00 1.17 H new ATOM 0 HB2 CYS B 144 5.832 9.454 16.120 1.00 1.05 H new ATOM 0 HB3 CYS B 144 7.568 9.684 16.062 1.00 1.05 H new ATOM 1820 N GLN B 145 8.718 9.518 19.491 1.00 1.58 N ATOM 1821 CA GLN B 145 9.858 9.020 20.229 1.00 1.89 C ATOM 1822 C GLN B 145 9.383 8.164 21.388 1.00 2.14 C ATOM 1823 O GLN B 145 10.138 7.346 21.925 1.00 2.40 O ATOM 1824 CB GLN B 145 10.714 10.182 20.740 1.00 2.00 C ATOM 1825 CG GLN B 145 12.053 10.308 20.033 1.00 2.43 C ATOM 1826 CD GLN B 145 13.114 9.403 20.625 1.00 2.77 C ATOM 1827 OE1 GLN B 145 12.803 8.367 21.213 1.00 3.35 O ATOM 1828 NE2 GLN B 145 14.375 9.789 20.473 1.00 3.05 N ATOM 0 H GLN B 145 8.549 10.517 19.605 1.00 1.58 H new ATOM 0 HA GLN B 145 10.471 8.411 19.565 1.00 1.89 H new ATOM 0 HB2 GLN B 145 10.159 11.112 20.618 1.00 2.00 H new ATOM 0 HB3 GLN B 145 10.887 10.052 21.808 1.00 2.00 H new ATOM 0 HG2 GLN B 145 11.926 10.069 18.977 1.00 2.43 H new ATOM 0 HG3 GLN B 145 12.392 11.343 20.087 1.00 2.43 H new ATOM 0 HE21 GLN B 145 14.587 10.655 19.978 1.00 3.05 H new ATOM 0 HE22 GLN B 145 15.132 9.219 20.851 1.00 3.05 H new ATOM 1837 N GLU B 146 8.112 8.320 21.766 1.00 2.12 N ATOM 1838 CA GLU B 146 7.593 7.516 22.860 1.00 2.41 C ATOM 1839 C GLU B 146 7.085 6.177 22.330 1.00 2.40 C ATOM 1840 O GLU B 146 6.561 5.350 23.081 1.00 2.57 O ATOM 1841 CB GLU B 146 6.493 8.271 23.625 1.00 2.47 C ATOM 1842 CG GLU B 146 5.073 7.954 23.176 1.00 2.88 C ATOM 1843 CD GLU B 146 4.796 8.397 21.754 1.00 3.26 C ATOM 1844 OE1 GLU B 146 5.091 7.620 20.822 1.00 3.59 O ATOM 1845 OE2 GLU B 146 4.282 9.521 21.571 1.00 3.76 O ATOM 0 H GLU B 146 7.449 8.972 21.346 1.00 2.12 H new ATOM 0 HA GLU B 146 8.401 7.320 23.565 1.00 2.41 H new ATOM 0 HB2 GLU B 146 6.584 8.040 24.686 1.00 2.47 H new ATOM 0 HB3 GLU B 146 6.663 9.342 23.516 1.00 2.47 H new ATOM 0 HG2 GLU B 146 4.902 6.881 23.258 1.00 2.88 H new ATOM 0 HG3 GLU B 146 4.367 8.441 23.848 1.00 2.88 H new ATOM 1852 N GLU B 147 7.310 5.942 21.036 1.00 2.27 N ATOM 1853 CA GLU B 147 6.925 4.689 20.420 1.00 2.36 C ATOM 1854 C GLU B 147 8.009 3.646 20.667 1.00 2.40 C ATOM 1855 O GLU B 147 7.888 2.498 20.238 1.00 2.48 O ATOM 1856 CB GLU B 147 6.708 4.877 18.915 1.00 2.40 C ATOM 1857 CG GLU B 147 5.441 4.219 18.396 1.00 2.97 C ATOM 1858 CD GLU B 147 5.586 2.719 18.232 1.00 3.47 C ATOM 1859 OE1 GLU B 147 6.415 2.291 17.401 1.00 4.01 O ATOM 1860 OE2 GLU B 147 4.872 1.972 18.934 1.00 3.71 O ATOM 0 H GLU B 147 7.756 6.606 20.403 1.00 2.27 H new ATOM 0 HA GLU B 147 5.989 4.349 20.863 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.671 5.943 18.692 1.00 2.40 H new ATOM 0 HB3 GLU B 147 7.565 4.469 18.379 1.00 2.40 H new ATOM 0 HG2 GLU B 147 4.621 4.428 19.083 1.00 2.97 H new ATOM 0 HG3 GLU B 147 5.174 4.661 17.436 1.00 2.97 H new ATOM 1987 N SER B 156 -1.381 -2.423 10.023 1.00 2.21 N ATOM 1988 CA SER B 156 -1.808 -1.597 8.891 1.00 2.03 C ATOM 1989 C SER B 156 -0.680 -1.480 7.872 1.00 1.77 C ATOM 1990 O SER B 156 0.243 -2.297 7.871 1.00 2.17 O ATOM 1991 CB SER B 156 -2.187 -0.197 9.396 1.00 2.58 C ATOM 1992 OG SER B 156 -3.589 -0.047 9.500 1.00 3.11 O ATOM 0 HA SER B 156 -2.670 -2.064 8.415 1.00 2.03 H new ATOM 0 HB2 SER B 156 -1.728 -0.023 10.369 1.00 2.58 H new ATOM 0 HB3 SER B 156 -1.789 0.556 8.717 1.00 2.58 H new ATOM 0 HG SER B 156 -3.798 0.853 9.825 1.00 3.11 H new ATOM 1998 N GLY B 157 -0.764 -0.495 6.976 1.00 1.55 N ATOM 1999 CA GLY B 157 0.257 -0.328 5.994 1.00 1.82 C ATOM 2000 C GLY B 157 0.324 -1.478 5.053 1.00 1.65 C ATOM 2001 O GLY B 157 1.393 -2.067 4.879 1.00 2.07 O ATOM 0 H GLY B 157 -1.526 0.181 6.926 1.00 1.55 H new ATOM 0 HA2 GLY B 157 0.073 0.588 5.433 1.00 1.82 H new ATOM 0 HA3 GLY B 157 1.220 -0.210 6.490 1.00 1.82 H new ATOM 2005 N GLN B 158 -0.783 -1.786 4.375 1.00 1.33 N ATOM 2006 CA GLN B 158 -0.690 -2.847 3.413 1.00 1.42 C ATOM 2007 C GLN B 158 -1.049 -2.298 2.055 1.00 1.04 C ATOM 2008 O GLN B 158 -1.936 -2.780 1.357 1.00 0.95 O ATOM 2009 CB GLN B 158 -1.689 -3.942 3.816 1.00 1.93 C ATOM 2010 CG GLN B 158 -1.674 -5.174 2.929 1.00 2.76 C ATOM 2011 CD GLN B 158 -2.885 -6.063 3.151 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -2.774 -7.158 3.702 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -4.053 -5.594 2.721 1.00 4.34 N ATOM 0 H GLN B 158 -1.695 -1.339 4.474 1.00 1.33 H new ATOM 0 HA GLN B 158 0.318 -3.260 3.379 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -1.479 -4.247 4.841 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -2.693 -3.519 3.809 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -1.640 -4.865 1.884 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -0.767 -5.746 3.122 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -4.101 -4.681 2.269 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -4.901 -6.148 2.843 1.00 4.34 H new ATOM 2022 N LYS B 159 -0.250 -1.323 1.683 1.00 1.15 N ATOM 2023 CA LYS B 159 -0.235 -0.713 0.369 1.00 1.13 C ATOM 2024 C LYS B 159 1.119 -0.905 -0.332 1.00 0.95 C ATOM 2025 O LYS B 159 1.640 0.079 -0.867 1.00 0.91 O ATOM 2026 CB LYS B 159 -0.690 0.717 0.445 1.00 1.54 C ATOM 2027 CG LYS B 159 -2.207 0.839 0.517 1.00 1.91 C ATOM 2028 CD LYS B 159 -2.830 0.993 -0.864 1.00 2.18 C ATOM 2029 CE LYS B 159 -3.643 -0.233 -1.259 1.00 2.81 C ATOM 2030 NZ LYS B 159 -4.915 -0.331 -0.490 1.00 3.54 N ATOM 0 H LYS B 159 0.438 -0.914 2.315 1.00 1.15 H new ATOM 0 HA LYS B 159 -0.955 -1.228 -0.267 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -0.248 1.190 1.322 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -0.325 1.259 -0.428 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -2.620 -0.044 1.005 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -2.473 1.698 1.133 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -3.472 1.874 -0.877 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -2.044 1.160 -1.600 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -3.866 -0.192 -2.325 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -3.049 -1.131 -1.092 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -5.437 -1.179 -0.790 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -4.702 -0.396 0.526 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -5.495 0.514 -0.669 1.00 3.54 H new ATOM 2044 N PRO B 160 1.791 -2.060 -0.231 1.00 1.05 N ATOM 2045 CA PRO B 160 3.149 -2.226 -0.761 1.00 1.14 C ATOM 2046 C PRO B 160 3.408 -1.589 -2.119 1.00 1.10 C ATOM 2047 O PRO B 160 2.827 -1.958 -3.136 1.00 1.23 O ATOM 2048 CB PRO B 160 3.358 -3.744 -0.793 1.00 1.46 C ATOM 2049 CG PRO B 160 2.077 -4.340 -0.292 1.00 1.51 C ATOM 2050 CD PRO B 160 1.371 -3.257 0.483 1.00 1.27 C ATOM 0 HA PRO B 160 3.861 -1.698 -0.126 1.00 1.14 H new ATOM 0 HB2 PRO B 160 3.581 -4.087 -1.803 1.00 1.46 H new ATOM 0 HB3 PRO B 160 4.199 -4.037 -0.164 1.00 1.46 H new ATOM 0 HG2 PRO B 160 1.461 -4.687 -1.122 1.00 1.51 H new ATOM 0 HG3 PRO B 160 2.274 -5.204 0.342 1.00 1.51 H new ATOM 0 HD2 PRO B 160 0.288 -3.383 0.469 1.00 1.27 H new ATOM 0 HD3 PRO B 160 1.676 -3.237 1.529 1.00 1.27 H new ATOM 2058 N CYS B 161 4.328 -0.632 -2.081 1.00 1.09 N ATOM 2059 CA CYS B 161 4.764 0.141 -3.230 1.00 1.15 C ATOM 2060 C CYS B 161 6.291 0.309 -3.161 1.00 1.37 C ATOM 2061 O CYS B 161 6.897 -0.123 -2.186 1.00 1.58 O ATOM 2062 CB CYS B 161 3.973 1.445 -3.384 1.00 1.32 C ATOM 2063 SG CYS B 161 4.886 2.968 -3.027 1.00 1.58 S ATOM 0 H CYS B 161 4.805 -0.367 -1.219 1.00 1.09 H new ATOM 0 HA CYS B 161 4.542 -0.395 -4.153 1.00 1.15 H new ATOM 0 HB2 CYS B 161 3.596 1.501 -4.405 1.00 1.32 H new ATOM 0 HB3 CYS B 161 3.105 1.401 -2.726 1.00 1.32 H new ATOM 2068 N GLY B 162 6.868 1.141 -4.010 1.00 1.57 N ATOM 2069 CA GLY B 162 8.285 1.456 -3.843 1.00 1.88 C ATOM 2070 C GLY B 162 9.193 0.245 -3.635 1.00 2.05 C ATOM 2071 O GLY B 162 8.814 -0.901 -3.891 1.00 2.37 O ATOM 0 H GLY B 162 6.404 1.598 -4.795 1.00 1.57 H new ATOM 0 HA2 GLY B 162 8.627 2.001 -4.723 1.00 1.88 H new ATOM 0 HA3 GLY B 162 8.395 2.125 -2.990 1.00 1.88 H new ATOM 2075 N SER B 163 10.417 0.529 -3.197 1.00 2.40 N ATOM 2076 CA SER B 163 11.435 -0.492 -2.968 1.00 2.93 C ATOM 2077 C SER B 163 11.276 -1.172 -1.608 1.00 2.71 C ATOM 2078 O SER B 163 12.256 -1.423 -0.907 1.00 3.29 O ATOM 2079 CB SER B 163 12.833 0.130 -3.064 1.00 3.81 C ATOM 2080 OG SER B 163 12.921 1.317 -2.292 1.00 4.07 O ATOM 0 H SER B 163 10.731 1.477 -2.990 1.00 2.40 H new ATOM 0 HA SER B 163 11.308 -1.252 -3.739 1.00 2.93 H new ATOM 0 HB2 SER B 163 13.577 -0.587 -2.719 1.00 3.81 H new ATOM 0 HB3 SER B 163 13.064 0.353 -4.106 1.00 3.81 H new ATOM 0 HG SER B 163 13.823 1.692 -2.370 1.00 4.07 H new ATOM 2086 N GLY B 164 10.029 -1.515 -1.267 1.00 2.12 N ATOM 2087 CA GLY B 164 9.763 -2.223 -0.020 1.00 2.11 C ATOM 2088 C GLY B 164 8.851 -1.492 0.958 1.00 1.92 C ATOM 2089 O GLY B 164 8.727 -1.908 2.108 1.00 2.20 O ATOM 0 H GLY B 164 9.202 -1.316 -1.830 1.00 2.12 H new ATOM 0 HA2 GLY B 164 9.316 -3.188 -0.257 1.00 2.11 H new ATOM 0 HA3 GLY B 164 10.713 -2.425 0.475 1.00 2.11 H new ATOM 2093 N GLY B 165 8.245 -0.390 0.526 1.00 1.61 N ATOM 2094 CA GLY B 165 7.397 0.367 1.436 1.00 1.60 C ATOM 2095 C GLY B 165 5.899 0.196 1.237 1.00 1.42 C ATOM 2096 O GLY B 165 5.435 -0.192 0.168 1.00 1.62 O ATOM 0 H GLY B 165 8.321 -0.011 -0.418 1.00 1.61 H new ATOM 0 HA2 GLY B 165 7.644 0.079 2.458 1.00 1.60 H new ATOM 0 HA3 GLY B 165 7.640 1.425 1.335 1.00 1.60 H new ATOM 2100 N ARG B 166 5.152 0.546 2.283 1.00 1.16 N ATOM 2101 CA ARG B 166 3.696 0.514 2.259 1.00 1.03 C ATOM 2102 C ARG B 166 3.186 1.948 2.166 1.00 0.95 C ATOM 2103 O ARG B 166 3.882 2.872 2.591 1.00 1.04 O ATOM 2104 CB ARG B 166 3.097 -0.200 3.477 1.00 1.08 C ATOM 2105 CG ARG B 166 4.011 -0.248 4.689 1.00 1.23 C ATOM 2106 CD ARG B 166 5.002 -1.398 4.600 1.00 1.39 C ATOM 2107 NE ARG B 166 4.342 -2.674 4.329 1.00 1.79 N ATOM 2108 CZ ARG B 166 4.994 -3.820 4.152 1.00 2.31 C ATOM 2109 NH1 ARG B 166 6.317 -3.859 4.237 1.00 2.54 N ATOM 2110 NH2 ARG B 166 4.319 -4.933 3.894 1.00 3.05 N ATOM 0 H ARG B 166 5.543 0.860 3.171 1.00 1.16 H new ATOM 0 HA ARG B 166 3.378 -0.062 1.390 1.00 1.03 H new ATOM 0 HB2 ARG B 166 2.170 0.300 3.756 1.00 1.08 H new ATOM 0 HB3 ARG B 166 2.836 -1.220 3.193 1.00 1.08 H new ATOM 0 HG2 ARG B 166 4.553 0.694 4.774 1.00 1.23 H new ATOM 0 HG3 ARG B 166 3.411 -0.353 5.593 1.00 1.23 H new ATOM 0 HD2 ARG B 166 5.727 -1.191 3.813 1.00 1.39 H new ATOM 0 HD3 ARG B 166 5.558 -1.470 5.535 1.00 1.39 H new ATOM 0 HE ARG B 166 3.324 -2.686 4.272 1.00 1.79 H new ATOM 0 HH11 ARG B 166 6.840 -3.007 4.439 1.00 2.54 H new ATOM 0 HH12 ARG B 166 6.811 -4.741 4.100 1.00 2.54 H new ATOM 0 HH21 ARG B 166 3.301 -4.909 3.832 1.00 3.05 H new ATOM 0 HH22 ARG B 166 4.818 -5.812 3.758 1.00 3.05 H new ATOM 2124 N CYS B 167 1.997 2.160 1.603 1.00 0.87 N ATOM 2125 CA CYS B 167 1.470 3.479 1.472 1.00 0.88 C ATOM 2126 C CYS B 167 1.367 4.109 2.827 1.00 0.88 C ATOM 2127 O CYS B 167 0.590 3.669 3.675 1.00 0.93 O ATOM 2128 CB CYS B 167 0.102 3.461 0.802 1.00 0.94 C ATOM 2129 SG CYS B 167 -0.621 5.100 0.520 1.00 1.56 S ATOM 0 H CYS B 167 1.395 1.422 1.236 1.00 0.87 H new ATOM 0 HA CYS B 167 2.144 4.061 0.844 1.00 0.88 H new ATOM 0 HB2 CYS B 167 0.187 2.946 -0.155 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -0.582 2.877 1.418 1.00 0.94 H new ATOM 2134 N ALA B 168 2.129 5.154 3.023 1.00 0.90 N ATOM 2135 CA ALA B 168 2.096 5.851 4.269 1.00 0.95 C ATOM 2136 C ALA B 168 0.714 6.416 4.427 1.00 0.96 C ATOM 2137 O ALA B 168 0.114 6.381 5.504 1.00 1.04 O ATOM 2138 CB ALA B 168 3.139 6.964 4.281 1.00 0.96 C ATOM 0 H ALA B 168 2.777 5.535 2.333 1.00 0.90 H new ATOM 0 HA ALA B 168 2.328 5.179 5.095 1.00 0.95 H new ATOM 0 HB1 ALA B 168 3.102 7.487 5.237 1.00 0.96 H new ATOM 0 HB2 ALA B 168 4.131 6.535 4.140 1.00 0.96 H new ATOM 0 HB3 ALA B 168 2.930 7.667 3.475 1.00 0.96 H new ATOM 2144 N ALA B 169 0.258 7.041 3.354 1.00 0.90 N ATOM 2145 CA ALA B 169 -1.016 7.750 3.334 1.00 0.94 C ATOM 2146 C ALA B 169 -1.360 8.114 1.888 1.00 0.91 C ATOM 2147 O ALA B 169 -0.489 8.070 1.017 1.00 0.87 O ATOM 2148 CB ALA B 169 -0.904 9.017 4.131 1.00 0.98 C ATOM 0 H ALA B 169 0.761 7.072 2.467 1.00 0.90 H new ATOM 0 HA ALA B 169 -1.790 7.113 3.762 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -1.858 9.544 4.113 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -0.641 8.777 5.161 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.131 9.652 3.698 1.00 0.98 H new ATOM 2154 N ALA B 170 -2.610 8.472 1.625 1.00 0.98 N ATOM 2155 CA ALA B 170 -3.016 8.833 0.262 1.00 1.00 C ATOM 2156 C ALA B 170 -2.004 9.745 -0.433 1.00 1.04 C ATOM 2157 O ALA B 170 -1.595 10.775 0.101 1.00 1.25 O ATOM 2158 CB ALA B 170 -4.398 9.472 0.212 1.00 1.15 C ATOM 0 H ALA B 170 -3.354 8.522 2.321 1.00 0.98 H new ATOM 0 HA ALA B 170 -3.054 7.888 -0.280 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -4.648 9.719 -0.820 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -5.136 8.774 0.607 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -4.400 10.381 0.813 1.00 1.15 H new ATOM 2164 N GLY B 171 -1.650 9.358 -1.654 1.00 1.15 N ATOM 2165 CA GLY B 171 -0.739 10.127 -2.487 1.00 1.28 C ATOM 2166 C GLY B 171 0.737 9.987 -2.146 1.00 1.22 C ATOM 2167 O GLY B 171 1.584 10.244 -2.996 1.00 1.29 O ATOM 0 H GLY B 171 -1.988 8.501 -2.092 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -0.884 9.828 -3.525 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.012 11.180 -2.417 1.00 1.28 H new ATOM 2171 N ILE B 172 1.057 9.566 -0.931 1.00 1.13 N ATOM 2172 CA ILE B 172 2.452 9.396 -0.527 1.00 1.09 C ATOM 2173 C ILE B 172 2.657 8.044 0.156 1.00 1.02 C ATOM 2174 O ILE B 172 2.067 7.731 1.197 1.00 1.34 O ATOM 2175 CB ILE B 172 2.904 10.546 0.370 1.00 1.53 C ATOM 2176 CG1 ILE B 172 1.941 10.719 1.527 1.00 1.09 C ATOM 2177 CG2 ILE B 172 3.022 11.832 -0.439 1.00 2.27 C ATOM 2178 CD1 ILE B 172 2.589 10.370 2.822 1.00 0.91 C ATOM 0 H ILE B 172 0.376 9.336 -0.208 1.00 1.13 H new ATOM 0 HA ILE B 172 3.072 9.414 -1.424 1.00 1.09 H new ATOM 0 HB ILE B 172 3.887 10.310 0.778 1.00 1.53 H new ATOM 0 HG12 ILE B 172 1.589 11.750 1.560 1.00 1.09 H new ATOM 0 HG13 ILE B 172 1.066 10.088 1.373 1.00 1.09 H new ATOM 0 HG21 ILE B 172 3.345 12.644 0.213 1.00 2.27 H new ATOM 0 HG22 ILE B 172 3.752 11.695 -1.236 1.00 2.27 H new ATOM 0 HG23 ILE B 172 2.053 12.079 -0.873 1.00 2.27 H new ATOM 0 HD11 ILE B 172 1.874 10.504 3.634 1.00 0.91 H new ATOM 0 HD12 ILE B 172 2.918 9.331 2.796 1.00 0.91 H new ATOM 0 HD13 ILE B 172 3.449 11.019 2.985 1.00 0.91 H new ATOM 2190 N CYS B 173 3.470 7.228 -0.495 1.00 0.81 N ATOM 2191 CA CYS B 173 3.771 5.878 -0.053 1.00 1.04 C ATOM 2192 C CYS B 173 5.187 5.800 0.519 1.00 1.06 C ATOM 2193 O CYS B 173 6.168 6.013 -0.194 1.00 1.19 O ATOM 2194 CB CYS B 173 3.577 4.927 -1.227 1.00 1.17 C ATOM 2195 SG CYS B 173 4.439 3.337 -1.095 1.00 1.94 S ATOM 0 H CYS B 173 3.946 7.490 -1.358 1.00 0.81 H new ATOM 0 HA CYS B 173 3.094 5.587 0.750 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.511 4.734 -1.343 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.911 5.427 -2.136 1.00 1.17 H new ATOM 2200 N CYS B 174 5.280 5.566 1.824 1.00 0.97 N ATOM 2201 CA CYS B 174 6.559 5.515 2.507 1.00 0.99 C ATOM 2202 C CYS B 174 7.226 4.147 2.413 1.00 1.16 C ATOM 2203 O CYS B 174 6.570 3.102 2.386 1.00 1.35 O ATOM 2204 CB CYS B 174 6.385 5.910 3.971 1.00 1.12 C ATOM 2205 SG CYS B 174 6.482 7.705 4.276 1.00 1.26 S ATOM 0 H CYS B 174 4.475 5.408 2.430 1.00 0.97 H new ATOM 0 HA CYS B 174 7.216 6.225 2.005 1.00 0.99 H new ATOM 0 HB2 CYS B 174 5.420 5.545 4.322 1.00 1.12 H new ATOM 0 HB3 CYS B 174 7.150 5.410 4.564 1.00 1.12 H new ATOM 2210 N SER B 175 8.549 4.192 2.391 1.00 1.15 N ATOM 2211 CA SER B 175 9.396 3.010 2.330 1.00 1.38 C ATOM 2212 C SER B 175 10.328 3.036 3.535 1.00 1.29 C ATOM 2213 O SER B 175 10.255 3.966 4.338 1.00 1.12 O ATOM 2214 CB SER B 175 10.187 3.010 1.016 1.00 1.48 C ATOM 2215 OG SER B 175 10.775 4.277 0.774 1.00 2.00 O ATOM 0 H SER B 175 9.074 5.066 2.415 1.00 1.15 H new ATOM 0 HA SER B 175 8.797 2.100 2.356 1.00 1.38 H new ATOM 0 HB2 SER B 175 10.964 2.247 1.056 1.00 1.48 H new ATOM 0 HB3 SER B 175 9.526 2.749 0.190 1.00 1.48 H new ATOM 0 HG SER B 175 11.389 4.213 0.013 1.00 2.00 H new ATOM 2221 N PRO B 176 11.220 2.046 3.711 1.00 1.49 N ATOM 2222 CA PRO B 176 12.123 2.051 4.858 1.00 1.45 C ATOM 2223 C PRO B 176 13.229 3.093 4.701 1.00 1.20 C ATOM 2224 O PRO B 176 14.334 2.929 5.217 1.00 1.25 O ATOM 2225 CB PRO B 176 12.704 0.635 4.859 1.00 1.77 C ATOM 2226 CG PRO B 176 12.621 0.186 3.440 1.00 1.90 C ATOM 2227 CD PRO B 176 11.416 0.866 2.846 1.00 1.81 C ATOM 0 HA PRO B 176 11.615 2.309 5.787 1.00 1.45 H new ATOM 0 HB2 PRO B 176 13.734 0.631 5.215 1.00 1.77 H new ATOM 0 HB3 PRO B 176 12.137 -0.024 5.516 1.00 1.77 H new ATOM 0 HG2 PRO B 176 13.526 0.454 2.895 1.00 1.90 H new ATOM 0 HG3 PRO B 176 12.523 -0.898 3.381 1.00 1.90 H new ATOM 0 HD2 PRO B 176 11.589 1.154 1.809 1.00 1.81 H new ATOM 0 HD3 PRO B 176 10.543 0.214 2.854 1.00 1.81 H new ATOM 2235 N ASP B 177 12.906 4.176 3.987 1.00 1.01 N ATOM 2236 CA ASP B 177 13.839 5.272 3.758 1.00 0.92 C ATOM 2237 C ASP B 177 13.096 6.611 3.711 1.00 0.83 C ATOM 2238 O ASP B 177 13.489 7.572 4.376 1.00 0.90 O ATOM 2239 CB ASP B 177 14.616 5.050 2.458 1.00 1.18 C ATOM 2240 CG ASP B 177 13.704 4.852 1.264 1.00 1.96 C ATOM 2241 OD1 ASP B 177 13.169 5.858 0.753 1.00 2.72 O ATOM 2242 OD2 ASP B 177 13.524 3.691 0.841 1.00 2.51 O ATOM 0 H ASP B 177 11.992 4.313 3.555 1.00 1.01 H new ATOM 0 HA ASP B 177 14.547 5.298 4.587 1.00 0.92 H new ATOM 0 HB2 ASP B 177 15.266 5.906 2.276 1.00 1.18 H new ATOM 0 HB3 ASP B 177 15.260 4.178 2.568 1.00 1.18 H new ATOM 2247 N GLY B 178 12.021 6.670 2.917 1.00 0.89 N ATOM 2248 CA GLY B 178 11.256 7.897 2.804 1.00 0.87 C ATOM 2249 C GLY B 178 9.817 7.686 2.377 1.00 0.85 C ATOM 2250 O GLY B 178 9.156 6.740 2.804 1.00 0.99 O ATOM 0 H GLY B 178 11.673 5.892 2.356 1.00 0.89 H new ATOM 0 HA2 GLY B 178 11.268 8.411 3.765 1.00 0.87 H new ATOM 0 HA3 GLY B 178 11.746 8.554 2.085 1.00 0.87 H new ATOM 2254 N CYS B 179 9.339 8.589 1.522 1.00 0.78 N ATOM 2255 CA CYS B 179 7.972 8.531 1.015 1.00 0.79 C ATOM 2256 C CYS B 179 7.925 8.966 -0.445 1.00 0.77 C ATOM 2257 O CYS B 179 8.760 9.738 -0.898 1.00 0.88 O ATOM 2258 CB CYS B 179 7.054 9.423 1.851 1.00 0.92 C ATOM 2259 SG CYS B 179 5.661 8.538 2.618 1.00 1.34 S ATOM 0 H CYS B 179 9.884 9.374 1.165 1.00 0.78 H new ATOM 0 HA CYS B 179 7.625 7.500 1.087 1.00 0.79 H new ATOM 0 HB2 CYS B 179 7.643 9.901 2.634 1.00 0.92 H new ATOM 0 HB3 CYS B 179 6.661 10.218 1.217 1.00 0.92 H new ATOM 2264 N HIS B 180 6.945 8.476 -1.193 1.00 0.70 N ATOM 2265 CA HIS B 180 6.854 8.833 -2.609 1.00 0.75 C ATOM 2266 C HIS B 180 5.432 8.735 -3.129 1.00 0.69 C ATOM 2267 O HIS B 180 4.587 8.067 -2.542 1.00 0.66 O ATOM 2268 CB HIS B 180 7.768 7.917 -3.427 1.00 0.89 C ATOM 2269 CG HIS B 180 7.829 6.519 -2.894 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.599 6.162 -1.806 1.00 1.60 N ATOM 2271 CD2 HIS B 180 7.195 5.389 -3.288 1.00 1.70 C ATOM 2272 CE1 HIS B 180 8.435 4.877 -1.555 1.00 2.03 C ATOM 2273 NE2 HIS B 180 7.588 4.386 -2.438 1.00 2.10 N ATOM 0 H HIS B 180 6.217 7.845 -0.857 1.00 0.70 H new ATOM 0 HA HIS B 180 7.172 9.870 -2.713 1.00 0.75 H new ATOM 0 HB2 HIS B 180 7.417 7.891 -4.459 1.00 0.89 H new ATOM 0 HB3 HIS B 180 8.774 8.337 -3.443 1.00 0.89 H new ATOM 0 HD1 HIS B 180 9.201 6.793 -1.278 1.00 1.60 H new ATOM 0 HD2 HIS B 180 6.508 5.295 -4.116 1.00 1.70 H new ATOM 0 HE1 HIS B 180 8.913 4.322 -0.761 1.00 2.03 H new ATOM 2282 N GLU B 181 5.177 9.405 -4.244 1.00 0.75 N ATOM 2283 CA GLU B 181 3.857 9.389 -4.845 1.00 0.77 C ATOM 2284 C GLU B 181 3.461 7.963 -5.215 1.00 0.73 C ATOM 2285 O GLU B 181 4.288 7.176 -5.677 1.00 0.94 O ATOM 2286 CB GLU B 181 3.825 10.328 -6.070 1.00 0.93 C ATOM 2287 CG GLU B 181 3.655 9.644 -7.428 1.00 1.69 C ATOM 2288 CD GLU B 181 2.342 10.004 -8.098 1.00 2.34 C ATOM 2289 OE1 GLU B 181 2.162 11.188 -8.452 1.00 2.69 O ATOM 2290 OE2 GLU B 181 1.495 9.103 -8.268 1.00 3.06 O ATOM 0 H GLU B 181 5.866 9.964 -4.747 1.00 0.75 H new ATOM 0 HA GLU B 181 3.126 9.755 -4.124 1.00 0.77 H new ATOM 0 HB2 GLU B 181 3.010 11.039 -5.938 1.00 0.93 H new ATOM 0 HB3 GLU B 181 4.750 10.904 -6.087 1.00 0.93 H new ATOM 0 HG2 GLU B 181 4.482 9.927 -8.080 1.00 1.69 H new ATOM 0 HG3 GLU B 181 3.708 8.563 -7.296 1.00 1.69 H new ATOM 2297 N ASP B 182 2.195 7.635 -4.994 1.00 0.77 N ATOM 2298 CA ASP B 182 1.689 6.297 -5.299 1.00 0.79 C ATOM 2299 C ASP B 182 0.280 6.374 -5.919 1.00 0.97 C ATOM 2300 O ASP B 182 -0.530 7.211 -5.520 1.00 1.22 O ATOM 2301 CB ASP B 182 1.698 5.445 -4.027 1.00 0.90 C ATOM 2302 CG ASP B 182 0.576 5.800 -3.078 1.00 1.39 C ATOM 2303 OD1 ASP B 182 0.685 6.839 -2.393 1.00 1.88 O ATOM 2304 OD2 ASP B 182 -0.411 5.039 -3.019 1.00 2.06 O ATOM 0 H ASP B 182 1.499 8.272 -4.606 1.00 0.77 H new ATOM 0 HA ASP B 182 2.339 5.825 -6.036 1.00 0.79 H new ATOM 0 HB2 ASP B 182 1.619 4.393 -4.299 1.00 0.90 H new ATOM 0 HB3 ASP B 182 2.653 5.571 -3.517 1.00 0.90 H new ATOM 2309 N PRO B 183 -0.014 5.531 -6.937 1.00 1.15 N ATOM 2310 CA PRO B 183 -1.307 5.536 -7.641 1.00 1.41 C ATOM 2311 C PRO B 183 -2.444 4.867 -6.870 1.00 1.28 C ATOM 2312 O PRO B 183 -3.614 5.191 -7.081 1.00 1.41 O ATOM 2313 CB PRO B 183 -1.025 4.763 -8.940 1.00 1.79 C ATOM 2314 CG PRO B 183 0.443 4.476 -8.944 1.00 1.91 C ATOM 2315 CD PRO B 183 0.893 4.534 -7.513 1.00 1.41 C ATOM 0 HA PRO B 183 -1.651 6.559 -7.791 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -1.602 3.839 -8.977 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -1.309 5.351 -9.813 1.00 1.79 H new ATOM 0 HG2 PRO B 183 0.645 3.495 -9.375 1.00 1.91 H new ATOM 0 HG3 PRO B 183 0.979 5.207 -9.549 1.00 1.91 H new ATOM 0 HD2 PRO B 183 0.800 3.567 -7.019 1.00 1.41 H new ATOM 0 HD3 PRO B 183 1.937 4.837 -7.427 1.00 1.41 H new ATOM 2323 N ALA B 184 -2.111 3.947 -5.974 1.00 1.13 N ATOM 2324 CA ALA B 184 -3.127 3.277 -5.176 1.00 1.18 C ATOM 2325 C ALA B 184 -3.755 4.307 -4.269 1.00 1.22 C ATOM 2326 O ALA B 184 -4.975 4.395 -4.132 1.00 1.56 O ATOM 2327 CB ALA B 184 -2.523 2.133 -4.373 1.00 1.21 C ATOM 0 H ALA B 184 -1.154 3.650 -5.783 1.00 1.13 H new ATOM 0 HA ALA B 184 -3.886 2.839 -5.825 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -3.303 1.649 -3.786 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -2.078 1.407 -5.053 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -1.755 2.523 -3.705 1.00 1.21 H new ATOM 2333 N CYS B 185 -2.886 5.117 -3.692 1.00 1.05 N ATOM 2334 CA CYS B 185 -3.292 6.198 -2.832 1.00 1.23 C ATOM 2335 C CYS B 185 -3.256 7.498 -3.618 1.00 1.50 C ATOM 2336 O CYS B 185 -2.370 8.316 -3.447 1.00 1.94 O ATOM 2337 CB CYS B 185 -2.384 6.276 -1.616 1.00 1.19 C ATOM 2338 SG CYS B 185 -2.158 4.702 -0.740 1.00 1.46 S ATOM 0 H CYS B 185 -1.876 5.038 -3.811 1.00 1.05 H new ATOM 0 HA CYS B 185 -4.308 6.022 -2.478 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -1.408 6.645 -1.931 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -2.793 7.009 -0.920 1.00 1.19 H new ATOM 2343 N ASP B 186 -4.217 7.658 -4.495 1.00 1.54 N ATOM 2344 CA ASP B 186 -4.320 8.836 -5.330 1.00 1.92 C ATOM 2345 C ASP B 186 -5.626 8.877 -6.089 1.00 1.82 C ATOM 2346 O ASP B 186 -5.705 9.526 -7.134 1.00 2.28 O ATOM 2347 CB ASP B 186 -3.211 8.852 -6.358 1.00 2.44 C ATOM 2348 CG ASP B 186 -2.313 10.066 -6.253 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -2.841 11.197 -6.218 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -1.079 9.884 -6.210 1.00 3.49 O ATOM 0 H ASP B 186 -4.955 6.972 -4.652 1.00 1.54 H new ATOM 0 HA ASP B 186 -4.254 9.694 -4.661 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -2.607 7.952 -6.245 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -3.649 8.818 -7.355 1.00 2.44 H new