USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot -71:sc= 0.458 USER MOD Set 1.2: A 32 ASN : amide:sc= -0.149 X(o=0.31,f=-0.13) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -47:sc= -0.926 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -110:sc= -1.26 (180deg=-3.71!) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.66 (180deg=-0.883) USER MOD Single : A 47 MET CE :methyl -162:sc= -0.944 (180deg=-2.53!) USER MOD Single : A 49 ASN : amide:sc= -0.0345 X(o=-0.034,f=-0.51) USER MOD Single : A 50 ASN : amide:sc= 0.533 K(o=0.53,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.17 K(o=-0.17,f=-6.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= -2.15! (180deg=-2.28!) USER MOD Single : A 57 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.0091) USER MOD Single : A 59 TYR OH : rot 13:sc= 1.27 USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.797 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -4.960 -2.805 6.784 1.00 0.00 N ATOM 165 CA PRO A 14 -5.029 -1.352 6.606 1.00 0.00 C ATOM 166 C PRO A 14 -6.465 -0.843 6.547 1.00 0.00 C ATOM 167 O PRO A 14 -7.379 -1.577 6.172 1.00 0.00 O ATOM 168 CB PRO A 14 -4.326 -1.125 5.265 1.00 0.00 C ATOM 169 CG PRO A 14 -4.486 -2.412 4.531 1.00 0.00 C ATOM 170 CD PRO A 14 -4.466 -3.491 5.578 1.00 0.00 C ATOM 0 HA PRO A 14 -4.572 -0.817 7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.777 -0.298 4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.274 -0.878 5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.421 -2.428 3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.681 -2.553 3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.105 -4.330 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.462 -3.890 5.725 1.00 0.00 H new ATOM 178 N SER A 15 -6.657 0.419 6.918 1.00 0.00 N ATOM 179 CA SER A 15 -7.983 1.025 6.911 1.00 0.00 C ATOM 180 C SER A 15 -8.176 1.893 5.671 1.00 0.00 C ATOM 181 O SER A 15 -7.210 2.361 5.070 1.00 0.00 O ATOM 182 CB SER A 15 -8.190 1.865 8.173 1.00 0.00 C ATOM 183 OG SER A 15 -8.332 1.040 9.316 1.00 0.00 O ATOM 0 H SER A 15 -5.911 1.042 7.227 1.00 0.00 H new ATOM 0 HA SER A 15 -8.722 0.224 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.343 2.538 8.309 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.077 2.488 8.058 1.00 0.00 H new ATOM 0 HG SER A 15 -8.461 1.600 10.110 1.00 0.00 H new ATOM 189 N GLY A 16 -9.434 2.105 5.294 1.00 0.00 N ATOM 190 CA GLY A 16 -9.733 2.916 4.128 1.00 0.00 C ATOM 191 C GLY A 16 -8.862 4.154 4.045 1.00 0.00 C ATOM 192 O GLY A 16 -8.580 4.651 2.955 1.00 0.00 O ATOM 0 H GLY A 16 -10.251 1.729 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.595 2.317 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.781 3.214 4.155 1.00 0.00 H new ATOM 196 N PHE A 17 -8.437 4.655 5.200 1.00 0.00 N ATOM 197 CA PHE A 17 -7.596 5.845 5.254 1.00 0.00 C ATOM 198 C PHE A 17 -6.159 5.514 4.861 1.00 0.00 C ATOM 199 O PHE A 17 -5.482 6.309 4.209 1.00 0.00 O ATOM 200 CB PHE A 17 -7.625 6.453 6.657 1.00 0.00 C ATOM 201 CG PHE A 17 -6.434 7.316 6.962 1.00 0.00 C ATOM 202 CD1 PHE A 17 -6.035 8.306 6.078 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.713 7.137 8.131 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.939 9.102 6.355 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.617 7.931 8.414 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.229 8.913 7.524 1.00 0.00 C ATOM 0 H PHE A 17 -8.661 4.255 6.111 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.991 6.571 4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.532 7.047 6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.679 5.649 7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.587 8.457 5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.010 6.369 8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.639 9.870 5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.065 7.783 9.330 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.371 9.532 7.742 1.00 0.00 H new ATOM 216 N PHE A 18 -5.699 4.333 5.263 1.00 0.00 N ATOM 217 CA PHE A 18 -4.342 3.896 4.955 1.00 0.00 C ATOM 218 C PHE A 18 -4.232 3.448 3.501 1.00 0.00 C ATOM 219 O PHE A 18 -3.403 3.956 2.744 1.00 0.00 O ATOM 220 CB PHE A 18 -3.928 2.754 5.885 1.00 0.00 C ATOM 221 CG PHE A 18 -2.569 2.193 5.578 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.391 1.311 4.524 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.470 2.547 6.343 1.00 0.00 C ATOM 224 CE1 PHE A 18 -1.142 0.793 4.238 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.218 2.033 6.062 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.054 1.154 5.009 1.00 0.00 C ATOM 0 H PHE A 18 -6.246 3.662 5.802 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.671 4.741 5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.940 3.112 6.914 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.666 1.955 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.239 1.025 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.593 3.232 7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.017 0.107 3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.631 2.318 6.665 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.923 0.750 4.789 1.00 0.00 H new ATOM 236 N LEU A 19 -5.073 2.495 3.117 1.00 0.00 N ATOM 237 CA LEU A 19 -5.071 1.977 1.753 1.00 0.00 C ATOM 238 C LEU A 19 -4.851 3.099 0.744 1.00 0.00 C ATOM 239 O LEU A 19 -4.173 2.916 -0.267 1.00 0.00 O ATOM 240 CB LEU A 19 -6.390 1.260 1.457 1.00 0.00 C ATOM 241 CG LEU A 19 -6.580 -0.101 2.128 1.00 0.00 C ATOM 242 CD1 LEU A 19 -8.008 -0.591 1.945 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.590 -1.113 1.571 1.00 0.00 C ATOM 0 H LEU A 19 -5.765 2.065 3.730 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.250 1.266 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.210 1.910 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.473 1.126 0.379 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.391 0.011 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.125 -1.561 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.698 0.124 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.226 -0.688 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.740 -2.076 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.747 -1.223 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.573 -0.767 1.755 1.00 0.00 H new ATOM 255 N PHE A 20 -5.428 4.263 1.027 1.00 0.00 N ATOM 256 CA PHE A 20 -5.294 5.417 0.145 1.00 0.00 C ATOM 257 C PHE A 20 -3.946 6.102 0.347 1.00 0.00 C ATOM 258 O PHE A 20 -3.330 6.578 -0.607 1.00 0.00 O ATOM 259 CB PHE A 20 -6.428 6.412 0.398 1.00 0.00 C ATOM 260 CG PHE A 20 -6.082 7.824 0.019 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.202 8.566 0.790 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.637 8.409 -1.108 1.00 0.00 C ATOM 263 CE1 PHE A 20 -4.881 9.865 0.444 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.319 9.707 -1.459 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.441 10.437 -0.682 1.00 0.00 C ATOM 0 H PHE A 20 -5.992 4.432 1.860 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.352 5.065 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.308 6.099 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.697 6.383 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.762 8.124 1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.326 7.844 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.193 10.432 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.757 10.151 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.193 11.452 -0.954 1.00 0.00 H new ATOM 275 N CYS A 21 -3.494 6.149 1.595 1.00 0.00 N ATOM 276 CA CYS A 21 -2.219 6.777 1.924 1.00 0.00 C ATOM 277 C CYS A 21 -1.056 5.995 1.322 1.00 0.00 C ATOM 278 O CYS A 21 -0.030 6.570 0.960 1.00 0.00 O ATOM 279 CB CYS A 21 -2.052 6.876 3.441 1.00 0.00 C ATOM 280 SG CYS A 21 -1.335 5.401 4.203 1.00 0.00 S ATOM 0 H CYS A 21 -3.991 5.760 2.396 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.216 7.781 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.420 7.734 3.671 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.026 7.067 3.891 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.939 4.342 3.751 1.00 0.00 H new ATOM 286 N SER A 22 -1.224 4.680 1.220 1.00 0.00 N ATOM 287 CA SER A 22 -0.186 3.818 0.667 1.00 0.00 C ATOM 288 C SER A 22 -0.235 3.818 -0.858 1.00 0.00 C ATOM 289 O SER A 22 0.731 3.441 -1.520 1.00 0.00 O ATOM 290 CB SER A 22 -0.345 2.391 1.194 1.00 0.00 C ATOM 291 OG SER A 22 0.905 1.724 1.244 1.00 0.00 O ATOM 0 H SER A 22 -2.069 4.189 1.513 1.00 0.00 H new ATOM 0 HA SER A 22 0.782 4.208 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.788 2.415 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.031 1.837 0.553 1.00 0.00 H new ATOM 0 HG SER A 22 0.777 0.814 1.586 1.00 0.00 H new ATOM 297 N GLU A 23 -1.369 4.243 -1.407 1.00 0.00 N ATOM 298 CA GLU A 23 -1.545 4.291 -2.854 1.00 0.00 C ATOM 299 C GLU A 23 -1.146 5.657 -3.406 1.00 0.00 C ATOM 300 O GLU A 23 -0.749 5.779 -4.564 1.00 0.00 O ATOM 301 CB GLU A 23 -2.997 3.984 -3.224 1.00 0.00 C ATOM 302 CG GLU A 23 -3.397 4.495 -4.598 1.00 0.00 C ATOM 303 CD GLU A 23 -4.801 4.077 -4.990 1.00 0.00 C ATOM 304 OE1 GLU A 23 -5.756 4.477 -4.293 1.00 0.00 O ATOM 305 OE2 GLU A 23 -4.944 3.350 -5.995 1.00 0.00 O ATOM 0 H GLU A 23 -2.178 4.559 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.897 3.535 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.152 2.906 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.655 4.426 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.329 5.583 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.691 4.123 -5.340 1.00 0.00 H new ATOM 312 N PHE A 24 -1.256 6.682 -2.567 1.00 0.00 N ATOM 313 CA PHE A 24 -0.909 8.040 -2.970 1.00 0.00 C ATOM 314 C PHE A 24 0.512 8.389 -2.538 1.00 0.00 C ATOM 315 O PHE A 24 1.045 9.436 -2.907 1.00 0.00 O ATOM 316 CB PHE A 24 -1.898 9.041 -2.369 1.00 0.00 C ATOM 317 CG PHE A 24 -3.087 9.310 -3.246 1.00 0.00 C ATOM 318 CD1 PHE A 24 -4.051 8.335 -3.445 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.241 10.537 -3.870 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.146 8.579 -4.253 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.334 10.787 -4.678 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.289 9.807 -4.869 1.00 0.00 C ATOM 0 H PHE A 24 -1.583 6.598 -1.604 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.963 8.095 -4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.244 8.664 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.380 9.980 -2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.946 7.374 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.498 11.307 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.889 7.810 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.442 11.748 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.145 10.001 -5.498 1.00 0.00 H new ATOM 332 N ARG A 25 1.120 7.505 -1.753 1.00 0.00 N ATOM 333 CA ARG A 25 2.478 7.720 -1.269 1.00 0.00 C ATOM 334 C ARG A 25 3.454 7.863 -2.433 1.00 0.00 C ATOM 335 O ARG A 25 4.307 8.751 -2.454 1.00 0.00 O ATOM 336 CB ARG A 25 2.909 6.562 -0.367 1.00 0.00 C ATOM 337 CG ARG A 25 3.867 6.975 0.738 1.00 0.00 C ATOM 338 CD ARG A 25 3.949 5.918 1.828 1.00 0.00 C ATOM 339 NE ARG A 25 4.365 4.621 1.302 1.00 0.00 N ATOM 340 CZ ARG A 25 4.191 3.475 1.951 1.00 0.00 C ATOM 341 NH1 ARG A 25 3.612 3.465 3.143 1.00 0.00 N ATOM 342 NH2 ARG A 25 4.597 2.335 1.407 1.00 0.00 N ATOM 0 H ARG A 25 0.693 6.633 -1.439 1.00 0.00 H new ATOM 0 HA ARG A 25 2.490 8.645 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.023 6.112 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.382 5.793 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.858 7.143 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.540 7.920 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.654 6.241 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.977 5.819 2.311 1.00 0.00 H new ATOM 0 HE ARG A 25 4.814 4.593 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.298 4.339 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.480 2.583 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.043 2.338 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.463 1.456 1.906 1.00 0.00 H new ATOM 356 N PRO A 26 3.327 6.970 -3.426 1.00 0.00 N ATOM 357 CA PRO A 26 4.189 6.976 -4.611 1.00 0.00 C ATOM 358 C PRO A 26 4.318 8.365 -5.227 1.00 0.00 C ATOM 359 O PRO A 26 5.422 8.834 -5.502 1.00 0.00 O ATOM 360 CB PRO A 26 3.473 6.028 -5.576 1.00 0.00 C ATOM 361 CG PRO A 26 2.694 5.111 -4.697 1.00 0.00 C ATOM 362 CD PRO A 26 2.332 5.885 -3.467 1.00 0.00 C ATOM 0 HA PRO A 26 5.209 6.674 -4.374 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.820 6.574 -6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.185 5.477 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.798 4.757 -5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.283 4.231 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.316 6.276 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.383 5.262 -2.574 1.00 0.00 H new ATOM 370 N LYS A 27 3.181 9.019 -5.442 1.00 0.00 N ATOM 371 CA LYS A 27 3.166 10.356 -6.024 1.00 0.00 C ATOM 372 C LYS A 27 3.976 11.330 -5.173 1.00 0.00 C ATOM 373 O LYS A 27 4.917 11.957 -5.659 1.00 0.00 O ATOM 374 CB LYS A 27 1.727 10.858 -6.162 1.00 0.00 C ATOM 375 CG LYS A 27 0.858 9.980 -7.046 1.00 0.00 C ATOM 376 CD LYS A 27 -0.613 10.107 -6.685 1.00 0.00 C ATOM 377 CE LYS A 27 -1.419 8.929 -7.211 1.00 0.00 C ATOM 378 NZ LYS A 27 -1.856 9.140 -8.619 1.00 0.00 N ATOM 0 H LYS A 27 2.258 8.645 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 27 3.622 10.300 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.276 10.921 -5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.741 11.869 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.003 10.257 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.170 8.940 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.719 10.167 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.011 11.035 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.818 8.022 -7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.293 8.776 -6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.402 8.315 -8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.450 9.992 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.021 9.261 -9.227 1.00 0.00 H new ATOM 392 N ILE A 28 3.604 11.449 -3.903 1.00 0.00 N ATOM 393 CA ILE A 28 4.298 12.344 -2.986 1.00 0.00 C ATOM 394 C ILE A 28 5.794 12.049 -2.957 1.00 0.00 C ATOM 395 O ILE A 28 6.616 12.960 -2.850 1.00 0.00 O ATOM 396 CB ILE A 28 3.736 12.230 -1.556 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.214 12.377 -1.570 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.367 13.281 -0.655 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.593 12.367 -0.191 1.00 0.00 C ATOM 0 H ILE A 28 2.826 10.937 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 28 4.137 13.358 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 28 3.983 11.245 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.952 13.309 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.784 11.567 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.960 13.188 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.447 13.134 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.147 14.275 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.512 12.475 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.824 11.425 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.994 13.194 0.395 1.00 0.00 H new ATOM 411 N LYS A 29 6.142 10.770 -3.055 1.00 0.00 N ATOM 412 CA LYS A 29 7.539 10.354 -3.044 1.00 0.00 C ATOM 413 C LYS A 29 8.225 10.715 -4.357 1.00 0.00 C ATOM 414 O LYS A 29 9.453 10.763 -4.434 1.00 0.00 O ATOM 415 CB LYS A 29 7.641 8.846 -2.800 1.00 0.00 C ATOM 416 CG LYS A 29 7.269 8.432 -1.387 1.00 0.00 C ATOM 417 CD LYS A 29 7.831 7.063 -1.041 1.00 0.00 C ATOM 418 CE LYS A 29 9.290 7.150 -0.619 1.00 0.00 C ATOM 419 NZ LYS A 29 9.784 5.861 -0.062 1.00 0.00 N ATOM 0 H LYS A 29 5.475 10.003 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 29 8.043 10.882 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.991 8.328 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.660 8.521 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.646 9.170 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.184 8.417 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.244 6.620 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.739 6.402 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.900 7.432 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.406 7.936 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.782 5.962 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.219 5.604 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.697 5.116 -0.782 1.00 0.00 H new ATOM 433 N SER A 30 7.425 10.970 -5.387 1.00 0.00 N ATOM 434 CA SER A 30 7.956 11.324 -6.698 1.00 0.00 C ATOM 435 C SER A 30 7.966 12.838 -6.888 1.00 0.00 C ATOM 436 O SER A 30 8.754 13.373 -7.670 1.00 0.00 O ATOM 437 CB SER A 30 7.127 10.666 -7.803 1.00 0.00 C ATOM 438 OG SER A 30 7.777 10.767 -9.058 1.00 0.00 O ATOM 0 H SER A 30 6.407 10.938 -5.339 1.00 0.00 H new ATOM 0 HA SER A 30 8.982 10.960 -6.758 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.960 9.617 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.147 11.141 -7.858 1.00 0.00 H new ATOM 0 HG SER A 30 7.227 10.338 -9.747 1.00 0.00 H new ATOM 444 N THR A 31 7.086 13.525 -6.167 1.00 0.00 N ATOM 445 CA THR A 31 6.992 14.977 -6.256 1.00 0.00 C ATOM 446 C THR A 31 7.916 15.651 -5.248 1.00 0.00 C ATOM 447 O THR A 31 8.540 16.667 -5.548 1.00 0.00 O ATOM 448 CB THR A 31 5.549 15.462 -6.017 1.00 0.00 C ATOM 449 OG1 THR A 31 4.852 14.533 -5.179 1.00 0.00 O ATOM 450 CG2 THR A 31 4.806 15.620 -7.335 1.00 0.00 C ATOM 0 H THR A 31 6.428 13.099 -5.515 1.00 0.00 H new ATOM 0 HA THR A 31 7.298 15.252 -7.265 1.00 0.00 H new ATOM 0 HB THR A 31 5.593 16.433 -5.524 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.674 13.710 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.790 15.963 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.323 16.350 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.773 14.661 -7.851 1.00 0.00 H new ATOM 458 N ASN A 32 7.998 15.076 -4.053 1.00 0.00 N ATOM 459 CA ASN A 32 8.848 15.622 -3.000 1.00 0.00 C ATOM 460 C ASN A 32 10.131 14.810 -2.860 1.00 0.00 C ATOM 461 O ASN A 32 10.174 13.782 -2.184 1.00 0.00 O ATOM 462 CB ASN A 32 8.095 15.641 -1.668 1.00 0.00 C ATOM 463 CG ASN A 32 6.958 16.645 -1.661 1.00 0.00 C ATOM 464 OD1 ASN A 32 7.106 17.765 -1.172 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.814 16.246 -2.204 1.00 0.00 N ATOM 0 H ASN A 32 7.487 14.233 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 32 9.114 16.643 -3.275 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.699 14.646 -1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.791 15.879 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.013 16.877 -2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.736 15.308 -2.598 1.00 0.00 H new ATOM 472 N PRO A 33 11.204 15.280 -3.514 1.00 0.00 N ATOM 473 CA PRO A 33 12.509 14.614 -3.477 1.00 0.00 C ATOM 474 C PRO A 33 13.174 14.718 -2.109 1.00 0.00 C ATOM 475 O PRO A 33 13.431 15.815 -1.615 1.00 0.00 O ATOM 476 CB PRO A 33 13.324 15.372 -4.528 1.00 0.00 C ATOM 477 CG PRO A 33 12.690 16.718 -4.601 1.00 0.00 C ATOM 478 CD PRO A 33 11.225 16.500 -4.339 1.00 0.00 C ATOM 0 HA PRO A 33 12.427 13.545 -3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.373 15.444 -4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.293 14.867 -5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.122 17.394 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.848 17.171 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.780 17.346 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.666 16.368 -5.266 1.00 0.00 H new ATOM 486 N GLY A 34 13.452 13.568 -1.502 1.00 0.00 N ATOM 487 CA GLY A 34 14.086 13.552 -0.197 1.00 0.00 C ATOM 488 C GLY A 34 13.144 13.980 0.911 1.00 0.00 C ATOM 489 O GLY A 34 13.532 14.723 1.813 1.00 0.00 O ATOM 0 H GLY A 34 13.249 12.647 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.455 12.548 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.952 14.214 -0.209 1.00 0.00 H new ATOM 493 N ILE A 35 11.902 13.511 0.843 1.00 0.00 N ATOM 494 CA ILE A 35 10.902 13.850 1.847 1.00 0.00 C ATOM 495 C ILE A 35 11.046 12.971 3.085 1.00 0.00 C ATOM 496 O ILE A 35 11.537 11.845 3.006 1.00 0.00 O ATOM 497 CB ILE A 35 9.473 13.704 1.291 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.449 14.180 2.324 1.00 0.00 C ATOM 499 CG2 ILE A 35 9.204 12.260 0.896 1.00 0.00 C ATOM 500 CD1 ILE A 35 7.141 14.632 1.714 1.00 0.00 C ATOM 0 H ILE A 35 11.565 12.895 0.103 1.00 0.00 H new ATOM 0 HA ILE A 35 11.071 14.891 2.122 1.00 0.00 H new ATOM 0 HB ILE A 35 9.379 14.327 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.252 13.371 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.878 15.003 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.190 12.173 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.916 11.954 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.312 11.618 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.464 14.956 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.325 15.462 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.690 13.805 1.166 1.00 0.00 H new ATOM 512 N SER A 36 10.613 13.493 4.228 1.00 0.00 N ATOM 513 CA SER A 36 10.696 12.757 5.484 1.00 0.00 C ATOM 514 C SER A 36 9.337 12.173 5.862 1.00 0.00 C ATOM 515 O SER A 36 8.299 12.797 5.641 1.00 0.00 O ATOM 516 CB SER A 36 11.200 13.670 6.603 1.00 0.00 C ATOM 517 OG SER A 36 10.436 14.862 6.672 1.00 0.00 O ATOM 0 H SER A 36 10.201 14.423 4.310 1.00 0.00 H new ATOM 0 HA SER A 36 11.401 11.936 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.147 13.145 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.248 13.916 6.432 1.00 0.00 H new ATOM 0 HG SER A 36 10.777 15.428 7.396 1.00 0.00 H new ATOM 523 N ILE A 37 9.354 10.973 6.432 1.00 0.00 N ATOM 524 CA ILE A 37 8.125 10.306 6.842 1.00 0.00 C ATOM 525 C ILE A 37 7.086 11.313 7.321 1.00 0.00 C ATOM 526 O ILE A 37 5.988 11.397 6.772 1.00 0.00 O ATOM 527 CB ILE A 37 8.387 9.282 7.963 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.106 8.053 7.403 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.080 8.881 8.629 1.00 0.00 C ATOM 530 CD1 ILE A 37 9.459 7.027 8.458 1.00 0.00 C ATOM 0 H ILE A 37 10.205 10.443 6.620 1.00 0.00 H new ATOM 0 HA ILE A 37 7.743 9.783 5.965 1.00 0.00 H new ATOM 0 HB ILE A 37 9.028 9.743 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.474 7.584 6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.018 8.374 6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.281 8.157 9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.604 9.763 9.058 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.416 8.435 7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.966 6.183 7.990 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.117 7.480 9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.549 6.678 8.945 1.00 0.00 H new ATOM 542 N GLY A 38 7.440 12.078 8.350 1.00 0.00 N ATOM 543 CA GLY A 38 6.528 13.071 8.885 1.00 0.00 C ATOM 544 C GLY A 38 5.822 13.856 7.797 1.00 0.00 C ATOM 545 O GLY A 38 4.595 13.955 7.791 1.00 0.00 O ATOM 0 H GLY A 38 8.343 12.027 8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.786 12.577 9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.080 13.759 9.525 1.00 0.00 H new ATOM 549 N ASP A 39 6.597 14.415 6.875 1.00 0.00 N ATOM 550 CA ASP A 39 6.039 15.196 5.777 1.00 0.00 C ATOM 551 C ASP A 39 4.932 14.421 5.068 1.00 0.00 C ATOM 552 O ASP A 39 3.767 14.817 5.096 1.00 0.00 O ATOM 553 CB ASP A 39 7.136 15.570 4.780 1.00 0.00 C ATOM 554 CG ASP A 39 7.913 16.800 5.208 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.083 16.999 6.430 1.00 0.00 O ATOM 556 OD2 ASP A 39 8.352 17.562 4.323 1.00 0.00 O ATOM 0 H ASP A 39 7.614 14.342 6.866 1.00 0.00 H new ATOM 0 HA ASP A 39 5.611 16.108 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.823 14.731 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.689 15.748 3.802 1.00 0.00 H new ATOM 561 N VAL A 40 5.305 13.316 4.431 1.00 0.00 N ATOM 562 CA VAL A 40 4.345 12.486 3.714 1.00 0.00 C ATOM 563 C VAL A 40 3.140 12.158 4.589 1.00 0.00 C ATOM 564 O VAL A 40 2.002 12.160 4.122 1.00 0.00 O ATOM 565 CB VAL A 40 4.988 11.172 3.232 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.962 10.304 2.519 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.175 11.461 2.325 1.00 0.00 C ATOM 0 H VAL A 40 6.266 12.975 4.397 1.00 0.00 H new ATOM 0 HA VAL A 40 4.016 13.060 2.848 1.00 0.00 H new ATOM 0 HB VAL A 40 5.349 10.625 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.435 9.380 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.147 10.068 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.568 10.841 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.617 10.521 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.840 12.030 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.919 12.039 2.873 1.00 0.00 H new ATOM 577 N ALA A 41 3.400 11.876 5.861 1.00 0.00 N ATOM 578 CA ALA A 41 2.337 11.549 6.803 1.00 0.00 C ATOM 579 C ALA A 41 1.370 12.717 6.968 1.00 0.00 C ATOM 580 O ALA A 41 0.153 12.539 6.930 1.00 0.00 O ATOM 581 CB ALA A 41 2.927 11.155 8.149 1.00 0.00 C ATOM 0 H ALA A 41 4.337 11.867 6.263 1.00 0.00 H new ATOM 0 HA ALA A 41 1.778 10.703 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.122 10.913 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.571 10.285 8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.512 11.984 8.547 1.00 0.00 H new ATOM 587 N LYS A 42 1.920 13.912 7.153 1.00 0.00 N ATOM 588 CA LYS A 42 1.108 15.111 7.323 1.00 0.00 C ATOM 589 C LYS A 42 0.212 15.338 6.109 1.00 0.00 C ATOM 590 O LYS A 42 -1.006 15.461 6.237 1.00 0.00 O ATOM 591 CB LYS A 42 2.003 16.332 7.545 1.00 0.00 C ATOM 592 CG LYS A 42 1.232 17.604 7.849 1.00 0.00 C ATOM 593 CD LYS A 42 2.162 18.795 8.007 1.00 0.00 C ATOM 594 CE LYS A 42 2.968 18.706 9.294 1.00 0.00 C ATOM 595 NZ LYS A 42 4.149 17.811 9.148 1.00 0.00 N ATOM 0 H LYS A 42 2.926 14.076 7.189 1.00 0.00 H new ATOM 0 HA LYS A 42 0.475 14.969 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.687 16.126 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.614 16.491 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.521 17.800 7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.653 17.470 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.840 18.844 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.579 19.716 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.301 19.703 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.330 18.337 10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.999 16.944 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.275 17.563 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.000 18.300 9.493 1.00 0.00 H new ATOM 609 N LYS A 43 0.824 15.392 4.931 1.00 0.00 N ATOM 610 CA LYS A 43 0.083 15.602 3.693 1.00 0.00 C ATOM 611 C LYS A 43 -1.039 14.578 3.550 1.00 0.00 C ATOM 612 O LYS A 43 -2.215 14.937 3.469 1.00 0.00 O ATOM 613 CB LYS A 43 1.024 15.514 2.489 1.00 0.00 C ATOM 614 CG LYS A 43 1.638 16.847 2.099 1.00 0.00 C ATOM 615 CD LYS A 43 2.848 16.661 1.198 1.00 0.00 C ATOM 616 CE LYS A 43 4.131 16.540 2.006 1.00 0.00 C ATOM 617 NZ LYS A 43 5.308 17.062 1.259 1.00 0.00 N ATOM 0 H LYS A 43 1.832 15.293 4.808 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.359 16.598 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.823 14.807 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.474 15.114 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.893 17.456 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.932 17.390 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.715 15.767 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.926 17.505 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.023 17.087 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.300 15.495 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.127 17.120 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.529 16.423 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.091 18.009 0.887 1.00 0.00 H new ATOM 631 N LEU A 44 -0.669 13.302 3.521 1.00 0.00 N ATOM 632 CA LEU A 44 -1.645 12.225 3.390 1.00 0.00 C ATOM 633 C LEU A 44 -2.913 12.541 4.176 1.00 0.00 C ATOM 634 O LEU A 44 -3.995 12.667 3.603 1.00 0.00 O ATOM 635 CB LEU A 44 -1.045 10.905 3.877 1.00 0.00 C ATOM 636 CG LEU A 44 0.029 10.286 2.983 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.786 9.199 3.732 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.592 9.726 1.712 1.00 0.00 C ATOM 0 H LEU A 44 0.299 12.988 3.586 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.907 12.131 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.617 11.067 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.853 10.183 3.993 1.00 0.00 H new ATOM 0 HG LEU A 44 0.736 11.067 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.546 8.770 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.264 9.629 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.091 8.419 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.188 9.289 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.322 8.959 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.088 10.528 1.165 1.00 0.00 H new ATOM 650 N GLY A 45 -2.772 12.671 5.491 1.00 0.00 N ATOM 651 CA GLY A 45 -3.914 12.973 6.334 1.00 0.00 C ATOM 652 C GLY A 45 -4.839 14.000 5.710 1.00 0.00 C ATOM 653 O GLY A 45 -6.060 13.860 5.769 1.00 0.00 O ATOM 0 H GLY A 45 -1.887 12.573 5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.471 12.057 6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.563 13.342 7.298 1.00 0.00 H new ATOM 657 N GLU A 46 -4.255 15.035 5.114 1.00 0.00 N ATOM 658 CA GLU A 46 -5.036 16.090 4.480 1.00 0.00 C ATOM 659 C GLU A 46 -5.727 15.574 3.221 1.00 0.00 C ATOM 660 O GLU A 46 -6.947 15.668 3.086 1.00 0.00 O ATOM 661 CB GLU A 46 -4.140 17.280 4.132 1.00 0.00 C ATOM 662 CG GLU A 46 -3.994 18.284 5.262 1.00 0.00 C ATOM 663 CD GLU A 46 -5.120 19.300 5.289 1.00 0.00 C ATOM 664 OE1 GLU A 46 -6.296 18.886 5.212 1.00 0.00 O ATOM 665 OE2 GLU A 46 -4.825 20.510 5.387 1.00 0.00 O ATOM 0 H GLU A 46 -3.245 15.165 5.057 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.800 16.415 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.152 16.911 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.548 17.787 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.966 17.753 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.042 18.805 5.159 1.00 0.00 H new ATOM 672 N MET A 47 -4.938 15.030 2.301 1.00 0.00 N ATOM 673 CA MET A 47 -5.473 14.498 1.053 1.00 0.00 C ATOM 674 C MET A 47 -6.618 13.527 1.322 1.00 0.00 C ATOM 675 O MET A 47 -7.521 13.375 0.500 1.00 0.00 O ATOM 676 CB MET A 47 -4.370 13.796 0.258 1.00 0.00 C ATOM 677 CG MET A 47 -3.137 14.657 0.039 1.00 0.00 C ATOM 678 SD MET A 47 -2.277 14.260 -1.496 1.00 0.00 S ATOM 679 CE MET A 47 -1.934 12.520 -1.252 1.00 0.00 C ATOM 0 H MET A 47 -3.926 14.946 2.396 1.00 0.00 H new ATOM 0 HA MET A 47 -5.858 15.333 0.467 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.079 12.886 0.782 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.768 13.493 -0.710 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.429 15.707 0.026 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.454 14.527 0.878 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.149 12.204 -1.939 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.607 12.354 -0.226 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.837 11.941 -1.443 1.00 0.00 H new ATOM 689 N TRP A 48 -6.574 12.873 2.477 1.00 0.00 N ATOM 690 CA TRP A 48 -7.609 11.917 2.854 1.00 0.00 C ATOM 691 C TRP A 48 -8.911 12.631 3.198 1.00 0.00 C ATOM 692 O TRP A 48 -9.960 12.338 2.626 1.00 0.00 O ATOM 693 CB TRP A 48 -7.145 11.075 4.043 1.00 0.00 C ATOM 694 CG TRP A 48 -8.253 10.298 4.689 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.858 10.571 5.882 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.884 9.120 4.177 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.828 9.634 6.143 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.865 8.733 5.111 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.719 8.355 3.019 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.674 7.615 4.922 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.522 7.246 2.833 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.490 6.885 3.780 1.00 0.00 C ATOM 0 H TRP A 48 -5.833 12.987 3.169 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.791 11.262 2.002 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.372 10.383 3.709 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.688 11.729 4.786 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.610 11.402 6.526 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.424 9.612 6.971 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.977 8.626 2.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.420 7.335 5.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.402 6.647 1.942 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.103 6.013 3.605 1.00 0.00 H new ATOM 713 N ASN A 49 -8.836 13.570 4.136 1.00 0.00 N ATOM 714 CA ASN A 49 -10.010 14.326 4.556 1.00 0.00 C ATOM 715 C ASN A 49 -10.665 15.021 3.366 1.00 0.00 C ATOM 716 O ASN A 49 -11.887 15.027 3.233 1.00 0.00 O ATOM 717 CB ASN A 49 -9.625 15.360 5.616 1.00 0.00 C ATOM 718 CG ASN A 49 -10.779 15.701 6.539 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.485 14.815 7.020 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.975 16.990 6.790 1.00 0.00 N ATOM 0 H ASN A 49 -7.975 13.825 4.619 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.727 13.626 4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.792 14.978 6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.277 16.268 5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.736 17.280 7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.364 17.690 6.369 1.00 0.00 H new ATOM 727 N ASN A 50 -9.840 15.606 2.503 1.00 0.00 N ATOM 728 CA ASN A 50 -10.338 16.304 1.323 1.00 0.00 C ATOM 729 C ASN A 50 -11.291 15.416 0.527 1.00 0.00 C ATOM 730 O ASN A 50 -12.356 15.860 0.096 1.00 0.00 O ATOM 731 CB ASN A 50 -9.172 16.744 0.435 1.00 0.00 C ATOM 732 CG ASN A 50 -8.612 18.092 0.844 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.158 19.137 0.490 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.515 18.075 1.593 1.00 0.00 N ATOM 0 H ASN A 50 -8.825 15.611 2.599 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.885 17.186 1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.381 15.996 0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.506 16.791 -0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.092 18.952 1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.096 17.185 1.863 1.00 0.00 H new ATOM 741 N LEU A 51 -10.901 14.161 0.337 1.00 0.00 N ATOM 742 CA LEU A 51 -11.720 13.209 -0.406 1.00 0.00 C ATOM 743 C LEU A 51 -13.195 13.366 -0.049 1.00 0.00 C ATOM 744 O LEU A 51 -13.536 13.948 0.979 1.00 0.00 O ATOM 745 CB LEU A 51 -11.263 11.778 -0.117 1.00 0.00 C ATOM 746 CG LEU A 51 -9.903 11.379 -0.692 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.325 10.200 0.074 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.026 11.047 -2.172 1.00 0.00 C ATOM 0 H LEU A 51 -10.023 13.778 0.687 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.598 13.414 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.233 11.639 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.015 11.092 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.223 12.224 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.357 9.930 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.199 10.473 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.003 9.350 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.049 10.765 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.722 10.218 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.396 11.919 -2.711 1.00 0.00 H new ATOM 760 N ASN A 52 -14.064 12.840 -0.906 1.00 0.00 N ATOM 761 CA ASN A 52 -15.503 12.919 -0.680 1.00 0.00 C ATOM 762 C ASN A 52 -16.057 11.573 -0.225 1.00 0.00 C ATOM 763 O ASN A 52 -15.476 10.524 -0.503 1.00 0.00 O ATOM 764 CB ASN A 52 -16.216 13.372 -1.956 1.00 0.00 C ATOM 765 CG ASN A 52 -17.639 13.826 -1.694 1.00 0.00 C ATOM 766 OD1 ASN A 52 -18.098 13.837 -0.551 1.00 0.00 O ATOM 767 ND2 ASN A 52 -18.344 14.203 -2.753 1.00 0.00 N ATOM 0 H ASN A 52 -13.797 12.355 -1.763 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.682 13.650 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.655 14.188 -2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -16.226 12.552 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.307 14.518 -2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.923 14.177 -3.682 1.00 0.00 H new ATOM 774 N ASP A 53 -17.185 11.611 0.476 1.00 0.00 N ATOM 775 CA ASP A 53 -17.820 10.394 0.969 1.00 0.00 C ATOM 776 C ASP A 53 -17.982 9.373 -0.152 1.00 0.00 C ATOM 777 O ASP A 53 -18.028 8.168 0.095 1.00 0.00 O ATOM 778 CB ASP A 53 -19.184 10.718 1.582 1.00 0.00 C ATOM 779 CG ASP A 53 -20.157 9.560 1.472 1.00 0.00 C ATOM 780 OD1 ASP A 53 -20.857 9.470 0.443 1.00 0.00 O ATOM 781 OD2 ASP A 53 -20.218 8.745 2.417 1.00 0.00 O ATOM 0 H ASP A 53 -17.678 12.471 0.716 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.178 9.964 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.054 10.981 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.605 11.591 1.084 1.00 0.00 H new ATOM 786 N SER A 54 -18.068 9.863 -1.384 1.00 0.00 N ATOM 787 CA SER A 54 -18.229 8.993 -2.544 1.00 0.00 C ATOM 788 C SER A 54 -16.885 8.423 -2.987 1.00 0.00 C ATOM 789 O SER A 54 -16.819 7.333 -3.554 1.00 0.00 O ATOM 790 CB SER A 54 -18.876 9.761 -3.698 1.00 0.00 C ATOM 791 OG SER A 54 -20.289 9.711 -3.616 1.00 0.00 O ATOM 0 H SER A 54 -18.029 10.858 -1.605 1.00 0.00 H new ATOM 0 HA SER A 54 -18.878 8.165 -2.259 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.544 10.799 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.549 9.339 -4.648 1.00 0.00 H new ATOM 0 HG SER A 54 -20.678 10.211 -4.364 1.00 0.00 H new ATOM 797 N GLU A 55 -15.817 9.169 -2.722 1.00 0.00 N ATOM 798 CA GLU A 55 -14.475 8.739 -3.094 1.00 0.00 C ATOM 799 C GLU A 55 -13.938 7.712 -2.101 1.00 0.00 C ATOM 800 O GLU A 55 -13.197 6.801 -2.472 1.00 0.00 O ATOM 801 CB GLU A 55 -13.530 9.941 -3.163 1.00 0.00 C ATOM 802 CG GLU A 55 -13.711 10.786 -4.412 1.00 0.00 C ATOM 803 CD GLU A 55 -13.329 10.045 -5.679 1.00 0.00 C ATOM 804 OE1 GLU A 55 -14.157 9.251 -6.173 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.204 10.258 -6.175 1.00 0.00 O ATOM 0 H GLU A 55 -15.855 10.073 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.530 8.273 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.688 10.567 -2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.500 9.586 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.751 11.106 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.105 11.688 -4.327 1.00 0.00 H new ATOM 812 N LYS A 56 -14.316 7.867 -0.837 1.00 0.00 N ATOM 813 CA LYS A 56 -13.874 6.954 0.211 1.00 0.00 C ATOM 814 C LYS A 56 -14.668 5.653 0.169 1.00 0.00 C ATOM 815 O LYS A 56 -14.217 4.624 0.672 1.00 0.00 O ATOM 816 CB LYS A 56 -14.025 7.612 1.585 1.00 0.00 C ATOM 817 CG LYS A 56 -13.502 9.037 1.638 1.00 0.00 C ATOM 818 CD LYS A 56 -13.716 9.659 3.008 1.00 0.00 C ATOM 819 CE LYS A 56 -12.654 10.703 3.317 1.00 0.00 C ATOM 820 NZ LYS A 56 -11.279 10.140 3.226 1.00 0.00 N ATOM 0 H LYS A 56 -14.928 8.616 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.823 6.723 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.078 7.610 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.496 7.012 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.439 9.045 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.006 9.639 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.703 10.119 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.695 8.880 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.752 11.537 2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.817 11.102 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.584 10.887 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.172 9.372 3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.119 9.767 2.268 1.00 0.00 H new ATOM 834 N GLN A 57 -15.851 5.705 -0.434 1.00 0.00 N ATOM 835 CA GLN A 57 -16.707 4.529 -0.542 1.00 0.00 C ATOM 836 C GLN A 57 -15.897 3.303 -0.949 1.00 0.00 C ATOM 837 O GLN A 57 -15.862 2.291 -0.248 1.00 0.00 O ATOM 838 CB GLN A 57 -17.824 4.777 -1.556 1.00 0.00 C ATOM 839 CG GLN A 57 -19.107 5.303 -0.932 1.00 0.00 C ATOM 840 CD GLN A 57 -19.902 4.219 -0.231 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.761 3.576 -0.835 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.620 4.012 1.049 1.00 0.00 N ATOM 0 H GLN A 57 -16.239 6.549 -0.855 1.00 0.00 H new ATOM 0 HA GLN A 57 -17.150 4.341 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.474 5.490 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.040 3.846 -2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.863 6.089 -0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.724 5.757 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.900 4.569 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -20.123 3.296 1.573 1.00 0.00 H new ATOM 851 N PRO A 58 -15.229 3.392 -2.109 1.00 0.00 N ATOM 852 CA PRO A 58 -14.407 2.298 -2.635 1.00 0.00 C ATOM 853 C PRO A 58 -13.143 2.075 -1.812 1.00 0.00 C ATOM 854 O PRO A 58 -12.430 1.090 -2.006 1.00 0.00 O ATOM 855 CB PRO A 58 -14.049 2.771 -4.046 1.00 0.00 C ATOM 856 CG PRO A 58 -14.132 4.257 -3.980 1.00 0.00 C ATOM 857 CD PRO A 58 -15.225 4.568 -2.995 1.00 0.00 C ATOM 0 HA PRO A 58 -14.934 1.344 -2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.050 2.443 -4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.741 2.368 -4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.183 4.687 -3.659 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.358 4.679 -4.959 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -15.020 5.486 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.187 4.701 -3.490 1.00 0.00 H new ATOM 865 N TYR A 59 -12.871 2.995 -0.893 1.00 0.00 N ATOM 866 CA TYR A 59 -11.692 2.899 -0.041 1.00 0.00 C ATOM 867 C TYR A 59 -12.035 2.244 1.293 1.00 0.00 C ATOM 868 O TYR A 59 -11.188 1.606 1.920 1.00 0.00 O ATOM 869 CB TYR A 59 -11.095 4.288 0.198 1.00 0.00 C ATOM 870 CG TYR A 59 -10.216 4.772 -0.932 1.00 0.00 C ATOM 871 CD1 TYR A 59 -9.104 4.043 -1.335 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.497 5.959 -1.598 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.297 4.482 -2.367 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.697 6.405 -2.632 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.598 5.663 -3.012 1.00 0.00 C ATOM 876 OH TYR A 59 -7.798 6.103 -4.041 1.00 0.00 O ATOM 0 H TYR A 59 -13.451 3.816 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.956 2.277 -0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.905 5.002 0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.512 4.270 1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.866 3.117 -0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.356 6.543 -1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.436 3.904 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.931 7.329 -3.140 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.199 5.380 -4.321 1.00 0.00 H new ATOM 886 N ILE A 60 -13.282 2.406 1.721 1.00 0.00 N ATOM 887 CA ILE A 60 -13.739 1.829 2.979 1.00 0.00 C ATOM 888 C ILE A 60 -14.217 0.395 2.785 1.00 0.00 C ATOM 889 O ILE A 60 -14.058 -0.450 3.667 1.00 0.00 O ATOM 890 CB ILE A 60 -14.879 2.660 3.598 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.410 4.092 3.864 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.370 2.010 4.883 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.539 5.048 4.178 1.00 0.00 C ATOM 0 H ILE A 60 -13.994 2.932 1.215 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.886 1.836 3.657 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.708 2.695 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.707 4.087 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.868 4.456 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.175 2.608 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.739 1.008 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.548 1.948 5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.134 6.044 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.231 5.083 3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -16.067 4.707 5.068 1.00 0.00 H new ATOM 905 N THR A 61 -14.804 0.124 1.623 1.00 0.00 N ATOM 906 CA THR A 61 -15.305 -1.208 1.311 1.00 0.00 C ATOM 907 C THR A 61 -14.164 -2.212 1.194 1.00 0.00 C ATOM 908 O THR A 61 -14.281 -3.356 1.632 1.00 0.00 O ATOM 909 CB THR A 61 -16.114 -1.212 0.000 1.00 0.00 C ATOM 910 OG1 THR A 61 -17.175 -0.254 0.077 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.689 -2.592 -0.277 1.00 0.00 C ATOM 0 H THR A 61 -14.944 0.811 0.882 1.00 0.00 H new ATOM 0 HA THR A 61 -15.959 -1.500 2.133 1.00 0.00 H new ATOM 0 HB THR A 61 -15.443 -0.946 -0.816 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.808 0.649 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.256 -2.570 -1.208 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.877 -3.314 -0.364 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.347 -2.883 0.542 1.00 0.00 H new ATOM 919 N LYS A 62 -13.058 -1.776 0.600 1.00 0.00 N ATOM 920 CA LYS A 62 -11.893 -2.635 0.426 1.00 0.00 C ATOM 921 C LYS A 62 -11.367 -3.118 1.773 1.00 0.00 C ATOM 922 O LYS A 62 -11.127 -4.310 1.965 1.00 0.00 O ATOM 923 CB LYS A 62 -10.789 -1.886 -0.325 1.00 0.00 C ATOM 924 CG LYS A 62 -9.755 -2.802 -0.958 1.00 0.00 C ATOM 925 CD LYS A 62 -9.045 -2.124 -2.117 1.00 0.00 C ATOM 926 CE LYS A 62 -7.735 -2.820 -2.452 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.928 -2.042 -3.432 1.00 0.00 N ATOM 0 H LYS A 62 -12.944 -0.832 0.231 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.197 -3.503 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.243 -1.272 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.287 -1.208 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.024 -3.101 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.241 -3.712 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.693 -2.125 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.850 -1.081 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.157 -2.965 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.943 -3.810 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.043 -2.550 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.469 -1.925 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.707 -1.106 -3.035 1.00 0.00 H new ATOM 941 N ALA A 63 -11.191 -2.186 2.704 1.00 0.00 N ATOM 942 CA ALA A 63 -10.698 -2.518 4.035 1.00 0.00 C ATOM 943 C ALA A 63 -11.583 -3.563 4.704 1.00 0.00 C ATOM 944 O ALA A 63 -11.089 -4.528 5.287 1.00 0.00 O ATOM 945 CB ALA A 63 -10.614 -1.265 4.894 1.00 0.00 C ATOM 0 H ALA A 63 -11.383 -1.194 2.561 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.699 -2.941 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.244 -1.528 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.933 -0.551 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.604 -0.818 4.983 1.00 0.00 H new ATOM 951 N ALA A 64 -12.895 -3.365 4.616 1.00 0.00 N ATOM 952 CA ALA A 64 -13.849 -4.291 5.212 1.00 0.00 C ATOM 953 C ALA A 64 -13.510 -5.734 4.853 1.00 0.00 C ATOM 954 O ALA A 64 -13.647 -6.639 5.678 1.00 0.00 O ATOM 955 CB ALA A 64 -15.263 -3.952 4.765 1.00 0.00 C ATOM 0 H ALA A 64 -13.321 -2.571 4.137 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.788 -4.190 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.965 -4.652 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.510 -2.937 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.328 -4.024 3.679 1.00 0.00 H new