USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 CYS SG : rot 29:sc= 0.0106 USER MOD Set 1.2: A 52 SER OG : rot 129:sc= 0.626 USER MOD Set 1.3: A 54 SER OG : rot -113:sc= -0.467 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= -0.116 (180deg=-0.205) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 34:sc= 0.0108 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -172:sc= -1.22 USER MOD Single : A 47 HIS : no HD1:sc= -2.6 X(o=-2.6,f=-2.9!) USER MOD Single : A 64 GLN : amide:sc= -2.98 K(o=-3,f=-4.6) USER MOD Single : A 69 ASN : amide:sc= -7.07! C(o=-7.1!,f=-8.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.32) USER MOD Single : A 78 HIS : no HD1:sc= -0.0876 K(o=-0.088,f=-0.63) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 3:sc= -1.93! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.988 -5.513 -13.570 1.00 0.00 N ATOM 188 CA GLU A 16 -3.614 -5.159 -13.259 1.00 0.00 C ATOM 189 C GLU A 16 -3.323 -3.722 -13.696 1.00 0.00 C ATOM 190 O GLU A 16 -2.863 -3.491 -14.814 1.00 0.00 O ATOM 191 CB GLU A 16 -2.634 -6.139 -13.908 1.00 0.00 C ATOM 192 CG GLU A 16 -2.446 -7.383 -13.038 1.00 0.00 C ATOM 193 CD GLU A 16 -1.829 -8.528 -13.845 1.00 0.00 C ATOM 194 OE1 GLU A 16 -2.253 -8.694 -15.009 1.00 0.00 O ATOM 195 OE2 GLU A 16 -0.948 -9.210 -13.280 1.00 0.00 O ATOM 0 HA GLU A 16 -3.479 -5.224 -12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.003 -6.431 -14.891 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.672 -5.649 -14.061 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.805 -7.144 -12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.408 -7.696 -12.632 1.00 0.00 H new ATOM 202 N LYS A 17 -3.603 -2.794 -12.793 1.00 0.00 N ATOM 203 CA LYS A 17 -3.377 -1.386 -13.072 1.00 0.00 C ATOM 204 C LYS A 17 -2.221 -0.878 -12.208 1.00 0.00 C ATOM 205 O LYS A 17 -2.077 -1.284 -11.056 1.00 0.00 O ATOM 206 CB LYS A 17 -4.672 -0.590 -12.895 1.00 0.00 C ATOM 207 CG LYS A 17 -5.075 -0.520 -11.421 1.00 0.00 C ATOM 208 CD LYS A 17 -6.364 0.286 -11.243 1.00 0.00 C ATOM 209 CE LYS A 17 -6.285 1.179 -10.003 1.00 0.00 C ATOM 210 NZ LYS A 17 -6.029 2.584 -10.392 1.00 0.00 N ATOM 0 H LYS A 17 -3.984 -2.990 -11.867 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.083 -1.247 -14.112 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.540 0.418 -13.288 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.471 -1.055 -13.472 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.215 -1.528 -11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.273 -0.062 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.539 0.899 -12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.212 -0.393 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.217 1.115 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.491 0.827 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.877 3.158 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.182 2.629 -10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.847 2.954 -10.917 1.00 0.00 H new ATOM 224 N LYS A 18 -1.425 0.002 -12.798 1.00 0.00 N ATOM 225 CA LYS A 18 -0.286 0.569 -12.096 1.00 0.00 C ATOM 226 C LYS A 18 -0.690 1.908 -11.476 1.00 0.00 C ATOM 227 O LYS A 18 -1.316 2.738 -12.133 1.00 0.00 O ATOM 228 CB LYS A 18 0.924 0.664 -13.028 1.00 0.00 C ATOM 229 CG LYS A 18 2.187 1.037 -12.250 1.00 0.00 C ATOM 230 CD LYS A 18 2.829 2.303 -12.821 1.00 0.00 C ATOM 231 CE LYS A 18 2.201 3.559 -12.213 1.00 0.00 C ATOM 232 NZ LYS A 18 1.804 4.508 -13.277 1.00 0.00 N ATOM 0 H LYS A 18 -1.546 0.336 -13.754 1.00 0.00 H new ATOM 0 HA LYS A 18 0.020 -0.083 -11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.073 -0.289 -13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.735 1.409 -13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.939 1.193 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.900 0.213 -12.290 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.900 2.294 -12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.708 2.320 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.330 3.285 -11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.911 4.037 -11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.380 5.354 -12.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.642 4.783 -13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.110 4.055 -13.905 1.00 0.00 H new ATOM 246 N VAL A 19 -0.315 2.077 -10.216 1.00 0.00 N ATOM 247 CA VAL A 19 -0.631 3.301 -9.499 1.00 0.00 C ATOM 248 C VAL A 19 0.626 3.808 -8.788 1.00 0.00 C ATOM 249 O VAL A 19 1.561 3.045 -8.553 1.00 0.00 O ATOM 250 CB VAL A 19 -1.802 3.061 -8.544 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.072 2.698 -9.316 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.458 1.983 -7.515 1.00 0.00 C ATOM 0 H VAL A 19 0.205 1.387 -9.674 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.949 4.079 -10.193 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.991 3.989 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.890 2.532 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.333 3.513 -9.991 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.900 1.790 -9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.307 1.832 -6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.229 1.049 -8.029 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.592 2.298 -6.933 1.00 0.00 H new ATOM 262 N PHE A 20 0.606 5.093 -8.466 1.00 0.00 N ATOM 263 CA PHE A 20 1.732 5.712 -7.787 1.00 0.00 C ATOM 264 C PHE A 20 1.256 6.613 -6.646 1.00 0.00 C ATOM 265 O PHE A 20 0.620 7.639 -6.884 1.00 0.00 O ATOM 266 CB PHE A 20 2.465 6.566 -8.824 1.00 0.00 C ATOM 267 CG PHE A 20 3.981 6.362 -8.837 1.00 0.00 C ATOM 268 CD1 PHE A 20 4.679 6.372 -7.670 1.00 0.00 C ATOM 269 CD2 PHE A 20 4.631 6.170 -10.017 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.087 6.182 -7.683 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.038 5.981 -10.029 1.00 0.00 C ATOM 272 CZ PHE A 20 6.736 5.991 -8.862 1.00 0.00 C ATOM 0 H PHE A 20 -0.172 5.723 -8.663 1.00 0.00 H new ATOM 0 HA PHE A 20 2.378 4.944 -7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.069 6.337 -9.814 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.252 7.617 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.163 6.524 -6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.077 6.161 -10.944 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.642 6.189 -6.756 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.554 5.829 -10.965 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.806 5.847 -8.872 1.00 0.00 H new ATOM 282 N ILE A 21 1.582 6.198 -5.431 1.00 0.00 N ATOM 283 CA ILE A 21 1.196 6.955 -4.253 1.00 0.00 C ATOM 284 C ILE A 21 2.349 7.871 -3.840 1.00 0.00 C ATOM 285 O ILE A 21 3.324 7.417 -3.241 1.00 0.00 O ATOM 286 CB ILE A 21 0.730 6.014 -3.140 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.796 6.018 -3.022 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.409 6.355 -1.812 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.439 5.277 -4.195 1.00 0.00 C ATOM 0 H ILE A 21 2.109 5.347 -5.237 1.00 0.00 H new ATOM 0 HA ILE A 21 0.343 7.596 -4.475 1.00 0.00 H new ATOM 0 HB ILE A 21 1.030 5.000 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.093 5.549 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.159 7.045 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.060 5.671 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.489 6.259 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.162 7.378 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.523 5.295 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.160 5.764 -5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.093 4.244 -4.206 1.00 0.00 H new ATOM 301 N SER A 22 2.201 9.144 -4.175 1.00 0.00 N ATOM 302 CA SER A 22 3.218 10.128 -3.847 1.00 0.00 C ATOM 303 C SER A 22 2.957 10.706 -2.454 1.00 0.00 C ATOM 304 O SER A 22 1.964 11.401 -2.243 1.00 0.00 O ATOM 305 CB SER A 22 3.257 11.249 -4.888 1.00 0.00 C ATOM 306 OG SER A 22 3.921 12.411 -4.397 1.00 0.00 O ATOM 0 H SER A 22 1.391 9.517 -4.671 1.00 0.00 H new ATOM 0 HA SER A 22 4.188 9.631 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.764 10.893 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.239 11.509 -5.179 1.00 0.00 H new ATOM 0 HG SER A 22 3.926 13.103 -5.091 1.00 0.00 H new ATOM 312 N LEU A 23 3.866 10.398 -1.541 1.00 0.00 N ATOM 313 CA LEU A 23 3.746 10.879 -0.175 1.00 0.00 C ATOM 314 C LEU A 23 4.474 12.218 -0.044 1.00 0.00 C ATOM 315 O LEU A 23 5.509 12.304 0.615 1.00 0.00 O ATOM 316 CB LEU A 23 4.233 9.815 0.812 1.00 0.00 C ATOM 317 CG LEU A 23 3.149 8.940 1.443 1.00 0.00 C ATOM 318 CD1 LEU A 23 3.109 7.558 0.787 1.00 0.00 C ATOM 319 CD2 LEU A 23 3.332 8.849 2.960 1.00 0.00 C ATOM 0 H LEU A 23 4.688 9.822 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 23 2.700 11.059 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.941 9.166 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.781 10.313 1.612 1.00 0.00 H new ATOM 0 HG LEU A 23 2.182 9.410 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.330 6.956 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.896 7.666 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.073 7.066 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.548 8.221 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.306 8.414 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.272 9.847 3.394 1.00 0.00 H new ATOM 415 N GLY A 30 -4.906 7.707 2.168 1.00 0.00 N ATOM 416 CA GLY A 30 -6.167 7.961 2.842 1.00 0.00 C ATOM 417 C GLY A 30 -7.094 6.746 2.748 1.00 0.00 C ATOM 418 O GLY A 30 -8.260 6.819 3.133 1.00 0.00 O ATOM 0 HA2 GLY A 30 -5.982 8.201 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.653 8.829 2.397 1.00 0.00 H new ATOM 422 N CYS A 31 -6.539 5.658 2.235 1.00 0.00 N ATOM 423 CA CYS A 31 -7.301 4.429 2.086 1.00 0.00 C ATOM 424 C CYS A 31 -6.827 3.438 3.151 1.00 0.00 C ATOM 425 O CYS A 31 -5.639 3.381 3.466 1.00 0.00 O ATOM 426 CB CYS A 31 -7.175 3.854 0.674 1.00 0.00 C ATOM 427 SG CYS A 31 -5.410 3.666 0.230 1.00 0.00 S ATOM 0 H CYS A 31 -5.571 5.601 1.917 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.362 4.635 2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.677 2.888 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.670 4.511 -0.041 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.710 3.471 1.308 1.00 0.00 H new ATOM 433 N SER A 32 -7.780 2.682 3.675 1.00 0.00 N ATOM 434 CA SER A 32 -7.475 1.696 4.698 1.00 0.00 C ATOM 435 C SER A 32 -7.168 0.345 4.048 1.00 0.00 C ATOM 436 O SER A 32 -7.815 -0.041 3.075 1.00 0.00 O ATOM 437 CB SER A 32 -8.630 1.556 5.691 1.00 0.00 C ATOM 438 OG SER A 32 -8.185 1.628 7.042 1.00 0.00 O ATOM 0 H SER A 32 -8.764 2.732 3.411 1.00 0.00 H new ATOM 0 HA SER A 32 -6.598 2.036 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.362 2.342 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.136 0.605 5.526 1.00 0.00 H new ATOM 0 HG SER A 32 -8.952 1.536 7.645 1.00 0.00 H new ATOM 444 N ILE A 33 -6.181 -0.336 4.611 1.00 0.00 N ATOM 445 CA ILE A 33 -5.780 -1.635 4.098 1.00 0.00 C ATOM 446 C ILE A 33 -6.036 -2.701 5.165 1.00 0.00 C ATOM 447 O ILE A 33 -5.907 -2.433 6.359 1.00 0.00 O ATOM 448 CB ILE A 33 -4.332 -1.593 3.605 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.377 -1.226 4.742 1.00 0.00 C ATOM 450 CG2 ILE A 33 -4.188 -0.652 2.408 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.994 -1.842 4.517 1.00 0.00 C ATOM 0 H ILE A 33 -5.647 -0.013 5.418 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.380 -1.903 3.229 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.057 -2.591 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.289 -0.142 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.784 -1.575 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.149 -0.640 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.824 -0.999 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.487 0.355 2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.334 -1.566 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.082 -2.927 4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.579 -1.472 3.579 1.00 0.00 H new ATOM 463 N SER A 34 -6.394 -3.888 4.697 1.00 0.00 N ATOM 464 CA SER A 34 -6.669 -4.995 5.597 1.00 0.00 C ATOM 465 C SER A 34 -5.972 -6.261 5.096 1.00 0.00 C ATOM 466 O SER A 34 -5.455 -6.290 3.980 1.00 0.00 O ATOM 467 CB SER A 34 -8.174 -5.235 5.730 1.00 0.00 C ATOM 468 OG SER A 34 -8.556 -5.497 7.078 1.00 0.00 O ATOM 0 H SER A 34 -6.500 -4.107 3.706 1.00 0.00 H new ATOM 0 HA SER A 34 -6.281 -4.740 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.714 -4.362 5.363 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.464 -6.077 5.101 1.00 0.00 H new ATOM 0 HG SER A 34 -9.524 -5.643 7.121 1.00 0.00 H new ATOM 474 N SER A 35 -5.980 -7.278 5.946 1.00 0.00 N ATOM 475 CA SER A 35 -5.354 -8.544 5.604 1.00 0.00 C ATOM 476 C SER A 35 -6.424 -9.572 5.231 1.00 0.00 C ATOM 477 O SER A 35 -7.408 -9.739 5.950 1.00 0.00 O ATOM 478 CB SER A 35 -4.497 -9.065 6.759 1.00 0.00 C ATOM 479 OG SER A 35 -5.238 -9.159 7.973 1.00 0.00 O ATOM 0 H SER A 35 -6.410 -7.251 6.871 1.00 0.00 H new ATOM 0 HA SER A 35 -4.700 -8.382 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.098 -10.046 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.644 -8.402 6.905 1.00 0.00 H new ATOM 0 HG SER A 35 -6.166 -9.402 7.772 1.00 0.00 H new ATOM 485 N GLY A 36 -6.196 -10.235 4.107 1.00 0.00 N ATOM 486 CA GLY A 36 -7.128 -11.243 3.630 1.00 0.00 C ATOM 487 C GLY A 36 -7.004 -12.533 4.443 1.00 0.00 C ATOM 488 O GLY A 36 -6.091 -12.674 5.255 1.00 0.00 O ATOM 0 H GLY A 36 -5.379 -10.094 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.147 -10.862 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.936 -11.452 2.578 1.00 0.00 H new ATOM 492 N PRO A 37 -7.962 -13.465 4.190 1.00 0.00 N ATOM 493 CA PRO A 37 -7.969 -14.739 4.890 1.00 0.00 C ATOM 494 C PRO A 37 -6.877 -15.665 4.353 1.00 0.00 C ATOM 495 O PRO A 37 -6.091 -15.271 3.493 1.00 0.00 O ATOM 496 CB PRO A 37 -9.370 -15.291 4.685 1.00 0.00 C ATOM 497 CG PRO A 37 -9.947 -14.537 3.499 1.00 0.00 C ATOM 498 CD PRO A 37 -9.059 -13.332 3.236 1.00 0.00 C ATOM 0 HA PRO A 37 -7.746 -14.638 5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.342 -16.363 4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.981 -15.145 5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.987 -15.181 2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.969 -14.220 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.693 -13.327 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.603 -12.399 3.385 1.00 0.00 H new ATOM 506 N ILE A 38 -6.862 -16.880 4.883 1.00 0.00 N ATOM 507 CA ILE A 38 -5.879 -17.865 4.468 1.00 0.00 C ATOM 508 C ILE A 38 -6.182 -18.310 3.036 1.00 0.00 C ATOM 509 O ILE A 38 -5.278 -18.701 2.299 1.00 0.00 O ATOM 510 CB ILE A 38 -5.821 -19.019 5.471 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.915 -20.143 4.963 1.00 0.00 C ATOM 512 CG2 ILE A 38 -7.225 -19.524 5.808 1.00 0.00 C ATOM 513 CD1 ILE A 38 -4.350 -20.960 6.126 1.00 0.00 C ATOM 0 H ILE A 38 -7.515 -17.204 5.596 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.881 -17.428 4.462 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.382 -18.645 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.478 -20.795 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.097 -19.720 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.155 -20.344 6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.809 -18.713 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.713 -19.876 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.710 -21.752 5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.767 -20.310 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.170 -21.402 6.693 1.00 0.00 H new ATOM 525 N GLN A 39 -7.457 -18.236 2.685 1.00 0.00 N ATOM 526 CA GLN A 39 -7.891 -18.626 1.354 1.00 0.00 C ATOM 527 C GLN A 39 -7.591 -17.511 0.350 1.00 0.00 C ATOM 528 O GLN A 39 -7.341 -17.779 -0.824 1.00 0.00 O ATOM 529 CB GLN A 39 -9.378 -18.986 1.345 1.00 0.00 C ATOM 530 CG GLN A 39 -10.241 -17.761 1.651 1.00 0.00 C ATOM 531 CD GLN A 39 -11.675 -18.171 1.992 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.598 -18.002 1.213 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.809 -18.717 3.197 1.00 0.00 N ATOM 0 H GLN A 39 -8.204 -17.912 3.299 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.334 -19.515 1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.651 -19.394 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.572 -19.765 2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.810 -17.207 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.245 -17.091 0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.994 -18.829 3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.727 -19.024 3.519 1.00 0.00 H new ATOM 542 N LYS A 40 -7.626 -16.284 0.849 1.00 0.00 N ATOM 543 CA LYS A 40 -7.361 -15.128 0.010 1.00 0.00 C ATOM 544 C LYS A 40 -6.472 -14.143 0.772 1.00 0.00 C ATOM 545 O LYS A 40 -6.878 -13.013 1.040 1.00 0.00 O ATOM 546 CB LYS A 40 -8.672 -14.515 -0.487 1.00 0.00 C ATOM 547 CG LYS A 40 -8.464 -13.775 -1.811 1.00 0.00 C ATOM 548 CD LYS A 40 -9.779 -13.179 -2.318 1.00 0.00 C ATOM 549 CE LYS A 40 -9.549 -12.330 -3.569 1.00 0.00 C ATOM 550 NZ LYS A 40 -9.704 -13.152 -4.790 1.00 0.00 N ATOM 0 H LYS A 40 -7.834 -16.065 1.823 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.815 -15.425 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.418 -15.299 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.062 -13.826 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.729 -12.982 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.060 -14.461 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.483 -13.980 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.230 -12.567 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.258 -11.502 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.550 -11.894 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.544 -12.560 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.011 -13.928 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.665 -13.547 -4.823 1.00 0.00 H new ATOM 564 N PRO A 41 -5.244 -14.620 1.109 1.00 0.00 N ATOM 565 CA PRO A 41 -4.294 -13.795 1.836 1.00 0.00 C ATOM 566 C PRO A 41 -3.670 -12.740 0.919 1.00 0.00 C ATOM 567 O PRO A 41 -3.433 -13.000 -0.260 1.00 0.00 O ATOM 568 CB PRO A 41 -3.273 -14.771 2.398 1.00 0.00 C ATOM 569 CG PRO A 41 -3.424 -16.046 1.584 1.00 0.00 C ATOM 570 CD PRO A 41 -4.729 -15.953 0.809 1.00 0.00 C ATOM 0 HA PRO A 41 -4.761 -13.223 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.263 -14.371 2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.454 -14.959 3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.582 -16.165 0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.430 -16.918 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.564 -16.082 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.430 -16.728 1.120 1.00 0.00 H new ATOM 578 N GLY A 42 -3.424 -11.573 1.495 1.00 0.00 N ATOM 579 CA GLY A 42 -2.833 -10.478 0.745 1.00 0.00 C ATOM 580 C GLY A 42 -3.178 -9.129 1.379 1.00 0.00 C ATOM 581 O GLY A 42 -3.552 -9.067 2.549 1.00 0.00 O ATOM 0 H GLY A 42 -3.623 -11.362 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.750 -10.600 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.191 -10.502 -0.284 1.00 0.00 H new ATOM 585 N ILE A 43 -3.041 -8.083 0.578 1.00 0.00 N ATOM 586 CA ILE A 43 -3.334 -6.739 1.047 1.00 0.00 C ATOM 587 C ILE A 43 -4.428 -6.125 0.171 1.00 0.00 C ATOM 588 O ILE A 43 -4.173 -5.745 -0.971 1.00 0.00 O ATOM 589 CB ILE A 43 -2.054 -5.902 1.109 1.00 0.00 C ATOM 590 CG1 ILE A 43 -0.966 -6.624 1.905 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.339 -4.505 1.663 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.225 -6.519 3.409 1.00 0.00 C ATOM 0 H ILE A 43 -2.731 -8.139 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.719 -6.767 2.066 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.679 -5.775 0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.931 -7.673 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.008 -6.194 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.413 -3.931 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.057 -3.998 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.750 -4.589 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.437 -7.041 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.235 -5.470 3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.188 -6.971 3.645 1.00 0.00 H new ATOM 604 N PHE A 44 -5.622 -6.047 0.739 1.00 0.00 N ATOM 605 CA PHE A 44 -6.756 -5.486 0.024 1.00 0.00 C ATOM 606 C PHE A 44 -7.275 -4.226 0.721 1.00 0.00 C ATOM 607 O PHE A 44 -7.364 -4.183 1.947 1.00 0.00 O ATOM 608 CB PHE A 44 -7.858 -6.547 0.028 1.00 0.00 C ATOM 609 CG PHE A 44 -7.401 -7.920 -0.469 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.505 -8.643 0.256 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.891 -8.419 -1.636 1.00 0.00 C ATOM 612 CE1 PHE A 44 -6.081 -9.917 -0.205 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.467 -9.693 -2.097 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.571 -10.415 -1.372 1.00 0.00 C ATOM 0 H PHE A 44 -5.829 -6.363 1.686 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.459 -5.213 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.246 -6.649 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.683 -6.202 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.116 -8.247 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.603 -7.846 -2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.370 -10.491 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.856 -10.089 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.248 -11.384 -1.723 1.00 0.00 H new ATOM 624 N ILE A 45 -7.603 -3.232 -0.091 1.00 0.00 N ATOM 625 CA ILE A 45 -8.111 -1.975 0.432 1.00 0.00 C ATOM 626 C ILE A 45 -9.495 -2.204 1.042 1.00 0.00 C ATOM 627 O ILE A 45 -10.241 -3.072 0.591 1.00 0.00 O ATOM 628 CB ILE A 45 -8.087 -0.895 -0.652 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.666 -0.375 -0.876 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.066 0.234 -0.322 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.655 0.768 -1.893 1.00 0.00 C ATOM 0 H ILE A 45 -7.527 -3.271 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.467 -1.606 1.231 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.417 -1.343 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.248 -0.029 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.029 -1.186 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.030 0.988 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.076 -0.169 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.790 0.688 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.633 1.120 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.051 0.412 -2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.273 1.587 -1.526 1.00 0.00 H new ATOM 643 N SER A 46 -9.797 -1.409 2.059 1.00 0.00 N ATOM 644 CA SER A 46 -11.078 -1.514 2.735 1.00 0.00 C ATOM 645 C SER A 46 -11.899 -0.244 2.501 1.00 0.00 C ATOM 646 O SER A 46 -13.116 -0.310 2.334 1.00 0.00 O ATOM 647 CB SER A 46 -10.891 -1.756 4.235 1.00 0.00 C ATOM 648 OG SER A 46 -10.928 -0.542 4.980 1.00 0.00 O ATOM 0 H SER A 46 -9.176 -0.690 2.430 1.00 0.00 H new ATOM 0 HA SER A 46 -11.614 -2.367 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.672 -2.426 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.938 -2.257 4.405 1.00 0.00 H new ATOM 0 HG SER A 46 -10.681 -0.722 5.911 1.00 0.00 H new ATOM 654 N HIS A 47 -11.200 0.881 2.497 1.00 0.00 N ATOM 655 CA HIS A 47 -11.849 2.164 2.286 1.00 0.00 C ATOM 656 C HIS A 47 -10.882 3.119 1.583 1.00 0.00 C ATOM 657 O HIS A 47 -9.677 2.876 1.552 1.00 0.00 O ATOM 658 CB HIS A 47 -12.384 2.726 3.605 1.00 0.00 C ATOM 659 CG HIS A 47 -13.088 4.054 3.466 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.415 5.263 3.462 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.412 4.351 3.325 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.303 6.237 3.325 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.541 5.669 3.241 1.00 0.00 N ATOM 0 H HIS A 47 -10.191 0.931 2.636 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.714 2.035 1.636 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.074 2.004 4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.555 2.837 4.304 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.219 3.634 3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.085 7.294 3.287 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.420 6.174 3.132 1.00 0.00 H new ATOM 671 N VAL A 48 -11.447 4.186 1.037 1.00 0.00 N ATOM 672 CA VAL A 48 -10.650 5.178 0.337 1.00 0.00 C ATOM 673 C VAL A 48 -11.173 6.576 0.673 1.00 0.00 C ATOM 674 O VAL A 48 -12.382 6.782 0.775 1.00 0.00 O ATOM 675 CB VAL A 48 -10.650 4.885 -1.165 1.00 0.00 C ATOM 676 CG1 VAL A 48 -10.212 6.115 -1.964 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.766 3.679 -1.488 1.00 0.00 C ATOM 0 H VAL A 48 -12.447 4.385 1.065 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.611 5.132 0.664 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.671 4.641 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.221 5.880 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.898 6.939 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.204 6.404 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.784 3.492 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.743 3.883 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.141 2.802 -0.961 1.00 0.00 H new ATOM 730 N SER A 52 -7.616 11.387 -1.740 1.00 0.00 N ATOM 731 CA SER A 52 -6.520 10.817 -0.975 1.00 0.00 C ATOM 732 C SER A 52 -5.387 10.400 -1.915 1.00 0.00 C ATOM 733 O SER A 52 -5.373 10.783 -3.084 1.00 0.00 O ATOM 734 CB SER A 52 -6.990 9.619 -0.148 1.00 0.00 C ATOM 735 OG SER A 52 -7.394 8.528 -0.970 1.00 0.00 O ATOM 0 HA SER A 52 -6.152 11.578 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.185 9.296 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.822 9.921 0.488 1.00 0.00 H new ATOM 0 HG SER A 52 -6.935 7.712 -0.680 1.00 0.00 H new ATOM 741 N LEU A 53 -4.464 9.622 -1.369 1.00 0.00 N ATOM 742 CA LEU A 53 -3.330 9.149 -2.145 1.00 0.00 C ATOM 743 C LEU A 53 -3.767 7.966 -3.011 1.00 0.00 C ATOM 744 O LEU A 53 -3.058 7.575 -3.937 1.00 0.00 O ATOM 745 CB LEU A 53 -2.147 8.835 -1.227 1.00 0.00 C ATOM 746 CG LEU A 53 -0.794 9.404 -1.658 1.00 0.00 C ATOM 747 CD1 LEU A 53 -0.924 10.868 -2.083 1.00 0.00 C ATOM 748 CD2 LEU A 53 0.255 9.217 -0.560 1.00 0.00 C ATOM 0 H LEU A 53 -4.478 9.307 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.981 9.928 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.376 9.212 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.054 7.752 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.451 8.845 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.052 11.247 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.617 10.943 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.300 11.458 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.207 9.630 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.069 9.733 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.375 8.154 -0.348 1.00 0.00 H new ATOM 760 N SER A 54 -4.932 7.430 -2.680 1.00 0.00 N ATOM 761 CA SER A 54 -5.472 6.300 -3.416 1.00 0.00 C ATOM 762 C SER A 54 -6.421 6.793 -4.511 1.00 0.00 C ATOM 763 O SER A 54 -6.375 6.309 -5.641 1.00 0.00 O ATOM 764 CB SER A 54 -6.199 5.330 -2.482 1.00 0.00 C ATOM 765 OG SER A 54 -6.375 5.876 -1.177 1.00 0.00 O ATOM 0 H SER A 54 -5.517 7.757 -1.912 1.00 0.00 H new ATOM 0 HA SER A 54 -4.642 5.765 -3.877 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.172 5.080 -2.905 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.634 4.401 -2.413 1.00 0.00 H new ATOM 0 HG SER A 54 -5.834 5.370 -0.535 1.00 0.00 H new ATOM 771 N ALA A 55 -7.257 7.750 -4.137 1.00 0.00 N ATOM 772 CA ALA A 55 -8.215 8.314 -5.073 1.00 0.00 C ATOM 773 C ALA A 55 -7.463 9.045 -6.187 1.00 0.00 C ATOM 774 O ALA A 55 -7.771 8.873 -7.365 1.00 0.00 O ATOM 775 CB ALA A 55 -9.183 9.232 -4.323 1.00 0.00 C ATOM 0 H ALA A 55 -7.291 8.149 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.808 7.526 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.901 9.655 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.713 8.658 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.625 10.038 -3.846 1.00 0.00 H new ATOM 781 N GLU A 56 -6.491 9.846 -5.775 1.00 0.00 N ATOM 782 CA GLU A 56 -5.693 10.604 -6.723 1.00 0.00 C ATOM 783 C GLU A 56 -5.256 9.708 -7.884 1.00 0.00 C ATOM 784 O GLU A 56 -5.183 10.158 -9.026 1.00 0.00 O ATOM 785 CB GLU A 56 -4.483 11.240 -6.036 1.00 0.00 C ATOM 786 CG GLU A 56 -3.578 10.172 -5.419 1.00 0.00 C ATOM 787 CD GLU A 56 -2.190 10.739 -5.116 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.137 11.908 -4.677 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.212 9.990 -5.330 1.00 0.00 O ATOM 0 H GLU A 56 -6.238 9.986 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.308 11.410 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.917 11.828 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.821 11.928 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.029 9.794 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.489 9.327 -6.102 1.00 0.00 H new ATOM 796 N VAL A 57 -4.976 8.457 -7.551 1.00 0.00 N ATOM 797 CA VAL A 57 -4.548 7.494 -8.551 1.00 0.00 C ATOM 798 C VAL A 57 -5.773 6.775 -9.118 1.00 0.00 C ATOM 799 O VAL A 57 -5.748 6.298 -10.252 1.00 0.00 O ATOM 800 CB VAL A 57 -3.518 6.536 -7.949 1.00 0.00 C ATOM 801 CG1 VAL A 57 -2.286 7.296 -7.453 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.137 5.702 -6.825 1.00 0.00 C ATOM 0 H VAL A 57 -5.037 8.088 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.055 8.000 -9.381 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.196 5.853 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.570 6.592 -7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.825 7.825 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.584 8.013 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.384 5.029 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.500 6.364 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.968 5.118 -7.221 1.00 0.00 H new ATOM 812 N GLY A 58 -6.817 6.719 -8.304 1.00 0.00 N ATOM 813 CA GLY A 58 -8.049 6.066 -8.710 1.00 0.00 C ATOM 814 C GLY A 58 -8.188 4.694 -8.047 1.00 0.00 C ATOM 815 O GLY A 58 -8.685 3.752 -8.661 1.00 0.00 O ATOM 0 H GLY A 58 -6.835 7.116 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.901 6.691 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.065 5.953 -9.794 1.00 0.00 H new ATOM 819 N LEU A 59 -7.738 4.626 -6.803 1.00 0.00 N ATOM 820 CA LEU A 59 -7.805 3.385 -6.050 1.00 0.00 C ATOM 821 C LEU A 59 -9.188 3.258 -5.407 1.00 0.00 C ATOM 822 O LEU A 59 -9.752 4.246 -4.940 1.00 0.00 O ATOM 823 CB LEU A 59 -6.651 3.303 -5.049 1.00 0.00 C ATOM 824 CG LEU A 59 -5.312 2.818 -5.607 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.228 2.837 -4.527 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.453 1.438 -6.253 1.00 0.00 C ATOM 0 H LEU A 59 -7.326 5.410 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.682 2.529 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.504 4.291 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.946 2.637 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.999 3.509 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.286 2.488 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.103 3.854 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.521 2.183 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.486 1.118 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.801 0.722 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.173 1.490 -7.070 1.00 0.00 H new ATOM 838 N GLU A 60 -9.693 2.033 -5.404 1.00 0.00 N ATOM 839 CA GLU A 60 -10.999 1.764 -4.826 1.00 0.00 C ATOM 840 C GLU A 60 -10.969 0.455 -4.034 1.00 0.00 C ATOM 841 O GLU A 60 -9.996 -0.294 -4.102 1.00 0.00 O ATOM 842 CB GLU A 60 -12.080 1.726 -5.907 1.00 0.00 C ATOM 843 CG GLU A 60 -12.151 3.057 -6.658 1.00 0.00 C ATOM 844 CD GLU A 60 -13.438 3.155 -7.481 1.00 0.00 C ATOM 845 OE1 GLU A 60 -13.424 2.638 -8.619 1.00 0.00 O ATOM 846 OE2 GLU A 60 -14.406 3.743 -6.952 1.00 0.00 O ATOM 0 H GLU A 60 -9.222 1.216 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.246 2.575 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.869 0.919 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.047 1.509 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.106 3.882 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.287 3.154 -7.315 1.00 0.00 H new ATOM 853 N ILE A 61 -12.047 0.220 -3.300 1.00 0.00 N ATOM 854 CA ILE A 61 -12.157 -0.986 -2.496 1.00 0.00 C ATOM 855 C ILE A 61 -12.076 -2.211 -3.409 1.00 0.00 C ATOM 856 O ILE A 61 -12.760 -2.276 -4.429 1.00 0.00 O ATOM 857 CB ILE A 61 -13.421 -0.942 -1.636 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.363 0.213 -0.634 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.661 -2.287 -0.946 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.758 0.546 -0.100 1.00 0.00 C ATOM 0 H ILE A 61 -12.852 0.844 -3.245 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.325 -1.055 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.273 -0.758 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.706 -0.052 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.933 1.093 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.566 -2.229 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.777 -3.067 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.811 -2.525 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.689 1.370 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.405 0.834 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.175 -0.329 0.399 1.00 0.00 H new ATOM 872 N GLY A 62 -11.233 -3.152 -3.009 1.00 0.00 N ATOM 873 CA GLY A 62 -11.054 -4.372 -3.778 1.00 0.00 C ATOM 874 C GLY A 62 -9.658 -4.426 -4.402 1.00 0.00 C ATOM 875 O GLY A 62 -9.140 -5.507 -4.680 1.00 0.00 O ATOM 0 H GLY A 62 -10.667 -3.094 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.202 -5.238 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.809 -4.426 -4.562 1.00 0.00 H new ATOM 879 N ASP A 63 -9.089 -3.247 -4.604 1.00 0.00 N ATOM 880 CA ASP A 63 -7.763 -3.147 -5.191 1.00 0.00 C ATOM 881 C ASP A 63 -6.751 -3.834 -4.272 1.00 0.00 C ATOM 882 O ASP A 63 -6.278 -3.236 -3.307 1.00 0.00 O ATOM 883 CB ASP A 63 -7.341 -1.685 -5.351 1.00 0.00 C ATOM 884 CG ASP A 63 -8.231 -0.852 -6.275 1.00 0.00 C ATOM 885 OD1 ASP A 63 -9.106 -1.465 -6.924 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.017 0.379 -6.311 1.00 0.00 O ATOM 0 H ASP A 63 -9.521 -2.353 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.790 -3.624 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.326 -1.217 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.320 -1.657 -5.732 1.00 0.00 H new ATOM 891 N GLN A 64 -6.448 -5.080 -4.605 1.00 0.00 N ATOM 892 CA GLN A 64 -5.500 -5.854 -3.822 1.00 0.00 C ATOM 893 C GLN A 64 -4.067 -5.528 -4.248 1.00 0.00 C ATOM 894 O GLN A 64 -3.695 -5.742 -5.401 1.00 0.00 O ATOM 895 CB GLN A 64 -5.781 -7.353 -3.946 1.00 0.00 C ATOM 896 CG GLN A 64 -4.695 -8.174 -3.248 1.00 0.00 C ATOM 897 CD GLN A 64 -4.752 -9.640 -3.683 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.629 -10.063 -4.418 1.00 0.00 O ATOM 899 NE2 GLN A 64 -3.770 -10.389 -3.189 1.00 0.00 N ATOM 0 H GLN A 64 -6.842 -5.573 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.617 -5.581 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.753 -7.582 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.832 -7.631 -4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.714 -7.760 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.821 -8.106 -2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.067 -9.971 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.720 -11.381 -3.420 1.00 0.00 H new ATOM 908 N ILE A 65 -3.302 -5.016 -3.295 1.00 0.00 N ATOM 909 CA ILE A 65 -1.918 -4.658 -3.558 1.00 0.00 C ATOM 910 C ILE A 65 -1.105 -5.931 -3.805 1.00 0.00 C ATOM 911 O ILE A 65 -0.826 -6.684 -2.874 1.00 0.00 O ATOM 912 CB ILE A 65 -1.367 -3.786 -2.428 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.291 -2.599 -2.151 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.065 -3.340 -2.730 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.056 -2.037 -0.748 1.00 0.00 C ATOM 0 H ILE A 65 -3.614 -4.841 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.846 -4.053 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.333 -4.386 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.119 -1.819 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.330 -2.911 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.434 -2.722 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.704 -4.216 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.079 -2.764 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.726 -1.194 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.252 -2.813 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.022 -1.703 -0.658 1.00 0.00 H new ATOM 927 N VAL A 66 -0.749 -6.131 -5.066 1.00 0.00 N ATOM 928 CA VAL A 66 0.027 -7.299 -5.447 1.00 0.00 C ATOM 929 C VAL A 66 1.504 -6.914 -5.548 1.00 0.00 C ATOM 930 O VAL A 66 2.380 -7.774 -5.468 1.00 0.00 O ATOM 931 CB VAL A 66 -0.527 -7.893 -6.744 1.00 0.00 C ATOM 932 CG1 VAL A 66 -2.018 -8.207 -6.611 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.266 -6.961 -7.929 1.00 0.00 C ATOM 0 H VAL A 66 -0.983 -5.504 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.054 -8.077 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.004 -8.830 -6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.386 -8.628 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.168 -8.926 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.564 -7.291 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.670 -7.407 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.750 -6.001 -7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.807 -6.811 -8.044 1.00 0.00 H new ATOM 943 N GLU A 67 1.735 -5.622 -5.723 1.00 0.00 N ATOM 944 CA GLU A 67 3.092 -5.113 -5.836 1.00 0.00 C ATOM 945 C GLU A 67 3.150 -3.653 -5.382 1.00 0.00 C ATOM 946 O GLU A 67 2.156 -2.933 -5.463 1.00 0.00 O ATOM 947 CB GLU A 67 3.617 -5.264 -7.265 1.00 0.00 C ATOM 948 CG GLU A 67 4.963 -4.556 -7.433 1.00 0.00 C ATOM 949 CD GLU A 67 5.438 -4.617 -8.886 1.00 0.00 C ATOM 950 OE1 GLU A 67 4.818 -3.917 -9.716 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.409 -5.363 -9.134 1.00 0.00 O ATOM 0 H GLU A 67 1.006 -4.912 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 67 3.736 -5.702 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.726 -6.321 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.894 -4.849 -7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.872 -3.516 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.706 -5.021 -6.784 1.00 0.00 H new ATOM 958 N VAL A 68 4.325 -3.259 -4.914 1.00 0.00 N ATOM 959 CA VAL A 68 4.527 -1.898 -4.447 1.00 0.00 C ATOM 960 C VAL A 68 5.992 -1.506 -4.648 1.00 0.00 C ATOM 961 O VAL A 68 6.878 -2.041 -3.984 1.00 0.00 O ATOM 962 CB VAL A 68 4.067 -1.770 -2.993 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.346 -0.366 -2.452 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.587 -2.128 -2.853 1.00 0.00 C ATOM 0 H VAL A 68 5.147 -3.859 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 68 3.922 -1.201 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 68 4.640 -2.479 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.010 -0.301 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.416 -0.164 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.811 0.369 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.286 -2.029 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.990 -1.455 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.429 -3.156 -3.180 1.00 0.00 H new ATOM 974 N ASN A 69 6.202 -0.574 -5.567 1.00 0.00 N ATOM 975 CA ASN A 69 7.544 -0.105 -5.863 1.00 0.00 C ATOM 976 C ASN A 69 8.399 -1.282 -6.338 1.00 0.00 C ATOM 977 O ASN A 69 9.626 -1.202 -6.337 1.00 0.00 O ATOM 978 CB ASN A 69 8.207 0.490 -4.619 1.00 0.00 C ATOM 979 CG ASN A 69 8.643 1.935 -4.867 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.484 2.482 -5.946 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.199 2.521 -3.810 1.00 0.00 N ATOM 0 H ASN A 69 5.465 -0.132 -6.116 1.00 0.00 H new ATOM 0 HA ASN A 69 7.470 0.662 -6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.512 0.455 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.072 -0.112 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.523 3.486 -3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.302 2.005 -2.936 1.00 0.00 H new ATOM 988 N GLY A 70 7.716 -2.346 -6.731 1.00 0.00 N ATOM 989 CA GLY A 70 8.397 -3.538 -7.207 1.00 0.00 C ATOM 990 C GLY A 70 8.445 -4.614 -6.120 1.00 0.00 C ATOM 991 O GLY A 70 8.976 -5.701 -6.340 1.00 0.00 O ATOM 0 H GLY A 70 6.698 -2.408 -6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.884 -3.927 -8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.411 -3.283 -7.516 1.00 0.00 H new ATOM 995 N VAL A 71 7.883 -4.272 -4.970 1.00 0.00 N ATOM 996 CA VAL A 71 7.855 -5.195 -3.848 1.00 0.00 C ATOM 997 C VAL A 71 6.799 -6.272 -4.105 1.00 0.00 C ATOM 998 O VAL A 71 5.842 -6.044 -4.843 1.00 0.00 O ATOM 999 CB VAL A 71 7.621 -4.427 -2.545 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.614 -5.375 -1.344 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.662 -3.321 -2.365 1.00 0.00 C ATOM 0 H VAL A 71 7.444 -3.369 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 71 8.815 -5.700 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 71 6.640 -3.956 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.446 -4.804 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.818 -6.109 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.574 -5.888 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.472 -2.791 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.659 -3.761 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.598 -2.622 -3.199 1.00 0.00 H new ATOM 1011 N ASP A 72 7.009 -7.422 -3.481 1.00 0.00 N ATOM 1012 CA ASP A 72 6.088 -8.535 -3.633 1.00 0.00 C ATOM 1013 C ASP A 72 5.024 -8.464 -2.537 1.00 0.00 C ATOM 1014 O ASP A 72 5.208 -9.012 -1.451 1.00 0.00 O ATOM 1015 CB ASP A 72 6.815 -9.875 -3.500 1.00 0.00 C ATOM 1016 CG ASP A 72 6.292 -10.988 -4.409 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.405 -10.677 -5.234 1.00 0.00 O ATOM 1018 OD2 ASP A 72 6.790 -12.125 -4.260 1.00 0.00 O ATOM 0 H ASP A 72 7.804 -7.607 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 72 5.637 -8.466 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.873 -9.720 -3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.744 -10.209 -2.465 1.00 0.00 H new ATOM 1023 N PHE A 73 3.933 -7.784 -2.858 1.00 0.00 N ATOM 1024 CA PHE A 73 2.839 -7.634 -1.913 1.00 0.00 C ATOM 1025 C PHE A 73 1.776 -8.713 -2.129 1.00 0.00 C ATOM 1026 O PHE A 73 0.625 -8.545 -1.730 1.00 0.00 O ATOM 1027 CB PHE A 73 2.214 -6.261 -2.168 1.00 0.00 C ATOM 1028 CG PHE A 73 2.807 -5.139 -1.314 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.149 -4.917 -1.321 1.00 0.00 C ATOM 1030 CD2 PHE A 73 1.994 -4.363 -0.549 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.700 -3.875 -0.528 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.545 -3.321 0.243 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.887 -3.099 0.237 1.00 0.00 C ATOM 0 H PHE A 73 3.783 -7.331 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 73 3.212 -7.729 -0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.338 -6.007 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.142 -6.320 -1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.795 -5.533 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.928 -4.539 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.766 -3.699 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.898 -2.705 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.306 -2.307 0.840 1.00 0.00 H new ATOM 1043 N SER A 74 2.201 -9.798 -2.760 1.00 0.00 N ATOM 1044 CA SER A 74 1.300 -10.905 -3.034 1.00 0.00 C ATOM 1045 C SER A 74 0.936 -11.618 -1.730 1.00 0.00 C ATOM 1046 O SER A 74 -0.206 -12.038 -1.546 1.00 0.00 O ATOM 1047 CB SER A 74 1.924 -11.892 -4.022 1.00 0.00 C ATOM 1048 OG SER A 74 0.959 -12.429 -4.922 1.00 0.00 O ATOM 0 H SER A 74 3.157 -9.934 -3.089 1.00 0.00 H new ATOM 0 HA SER A 74 0.393 -10.504 -3.487 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.708 -11.390 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.398 -12.705 -3.472 1.00 0.00 H new ATOM 0 HG SER A 74 1.397 -13.053 -5.537 1.00 0.00 H new ATOM 1054 N ASN A 75 1.927 -11.733 -0.859 1.00 0.00 N ATOM 1055 CA ASN A 75 1.725 -12.388 0.422 1.00 0.00 C ATOM 1056 C ASN A 75 2.467 -11.609 1.511 1.00 0.00 C ATOM 1057 O ASN A 75 3.251 -12.184 2.264 1.00 0.00 O ATOM 1058 CB ASN A 75 2.275 -13.815 0.404 1.00 0.00 C ATOM 1059 CG ASN A 75 1.220 -14.803 -0.097 1.00 0.00 C ATOM 1060 OD1 ASN A 75 0.079 -14.806 0.337 1.00 0.00 O ATOM 1061 ND2 ASN A 75 1.662 -15.638 -1.033 1.00 0.00 N ATOM 0 H ASN A 75 2.873 -11.384 -1.015 1.00 0.00 H new ATOM 0 HA ASN A 75 0.654 -12.417 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.155 -13.861 -0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.596 -14.098 1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.034 -16.335 -1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.629 -15.581 -1.351 1.00 0.00 H new ATOM 1068 N LEU A 76 2.193 -10.314 1.558 1.00 0.00 N ATOM 1069 CA LEU A 76 2.825 -9.451 2.541 1.00 0.00 C ATOM 1070 C LEU A 76 1.999 -9.462 3.829 1.00 0.00 C ATOM 1071 O LEU A 76 1.129 -10.314 4.005 1.00 0.00 O ATOM 1072 CB LEU A 76 3.045 -8.051 1.964 1.00 0.00 C ATOM 1073 CG LEU A 76 4.464 -7.739 1.484 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.602 -6.262 1.107 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.501 -8.165 2.524 1.00 0.00 C ATOM 0 H LEU A 76 1.542 -9.841 0.931 1.00 0.00 H new ATOM 0 HA LEU A 76 3.817 -9.825 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.361 -7.913 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.771 -7.319 2.724 1.00 0.00 H new ATOM 0 HG LEU A 76 4.656 -8.321 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.620 -6.066 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.902 -6.024 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.383 -5.643 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.501 -7.932 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.322 -7.630 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.420 -9.238 2.700 1.00 0.00 H new ATOM 1087 N ASP A 77 2.300 -8.506 4.696 1.00 0.00 N ATOM 1088 CA ASP A 77 1.596 -8.395 5.962 1.00 0.00 C ATOM 1089 C ASP A 77 1.178 -6.940 6.183 1.00 0.00 C ATOM 1090 O ASP A 77 1.610 -6.049 5.453 1.00 0.00 O ATOM 1091 CB ASP A 77 2.493 -8.811 7.129 1.00 0.00 C ATOM 1092 CG ASP A 77 1.828 -8.762 8.506 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.696 -9.281 8.608 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.467 -8.206 9.426 1.00 0.00 O ATOM 0 H ASP A 77 3.022 -7.801 4.546 1.00 0.00 H new ATOM 0 HA ASP A 77 0.727 -9.052 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.849 -9.826 6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.370 -8.163 7.142 1.00 0.00 H new ATOM 1099 N HIS A 78 0.343 -6.744 7.192 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.139 -5.413 7.518 1.00 0.00 C ATOM 1101 C HIS A 78 1.003 -4.585 8.111 1.00 0.00 C ATOM 1102 O HIS A 78 0.852 -3.386 8.340 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.359 -5.486 8.438 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.110 -4.182 8.566 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.767 -3.207 9.486 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.188 -3.703 7.882 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.608 -2.192 9.353 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.489 -2.502 8.359 1.00 0.00 N ATOM 0 H HIS A 78 -0.013 -7.486 7.795 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.472 -4.911 6.610 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.040 -6.250 8.062 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.036 -5.806 9.429 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.709 -4.215 7.086 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.598 -1.279 9.930 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.253 -1.909 8.036 1.00 0.00 H new ATOM 1116 N LYS A 79 2.120 -5.259 8.345 1.00 0.00 N ATOM 1117 CA LYS A 79 3.287 -4.601 8.908 1.00 0.00 C ATOM 1118 C LYS A 79 4.367 -4.478 7.831 1.00 0.00 C ATOM 1119 O LYS A 79 5.090 -3.485 7.783 1.00 0.00 O ATOM 1120 CB LYS A 79 3.756 -5.329 10.169 1.00 0.00 C ATOM 1121 CG LYS A 79 2.685 -5.281 11.260 1.00 0.00 C ATOM 1122 CD LYS A 79 3.296 -4.903 12.611 1.00 0.00 C ATOM 1123 CE LYS A 79 2.785 -3.539 13.082 1.00 0.00 C ATOM 1124 NZ LYS A 79 1.559 -3.698 13.896 1.00 0.00 N ATOM 0 H LYS A 79 2.241 -6.254 8.155 1.00 0.00 H new ATOM 0 HA LYS A 79 3.037 -3.589 9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.989 -6.366 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.675 -4.872 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.917 -4.557 10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.195 -6.252 11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.049 -5.664 13.352 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.383 -4.880 12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.555 -3.038 13.668 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.577 -2.905 12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.225 -2.763 14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.820 -4.157 13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.769 -4.286 14.728 1.00 0.00 H new ATOM 1138 N GLU A 80 4.442 -5.502 6.993 1.00 0.00 N ATOM 1139 CA GLU A 80 5.421 -5.522 5.920 1.00 0.00 C ATOM 1140 C GLU A 80 4.941 -4.663 4.748 1.00 0.00 C ATOM 1141 O GLU A 80 5.743 -4.009 4.084 1.00 0.00 O ATOM 1142 CB GLU A 80 5.711 -6.954 5.468 1.00 0.00 C ATOM 1143 CG GLU A 80 6.289 -7.785 6.616 1.00 0.00 C ATOM 1144 CD GLU A 80 7.776 -8.068 6.393 1.00 0.00 C ATOM 1145 OE1 GLU A 80 8.443 -7.180 5.819 1.00 0.00 O ATOM 1146 OE2 GLU A 80 8.212 -9.166 6.801 1.00 0.00 O ATOM 0 H GLU A 80 3.840 -6.324 7.036 1.00 0.00 H new ATOM 0 HA GLU A 80 6.353 -5.100 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.794 -7.417 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.413 -6.941 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.153 -7.254 7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.745 -8.726 6.699 1.00 0.00 H new ATOM 1153 N ALA A 81 3.635 -4.695 4.529 1.00 0.00 N ATOM 1154 CA ALA A 81 3.038 -3.928 3.449 1.00 0.00 C ATOM 1155 C ALA A 81 3.028 -2.445 3.827 1.00 0.00 C ATOM 1156 O ALA A 81 3.183 -1.581 2.966 1.00 0.00 O ATOM 1157 CB ALA A 81 1.636 -4.465 3.155 1.00 0.00 C ATOM 0 H ALA A 81 2.973 -5.240 5.081 1.00 0.00 H new ATOM 0 HA ALA A 81 3.624 -4.031 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.188 -3.889 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.702 -5.513 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.018 -4.376 4.048 1.00 0.00 H new ATOM 1163 N VAL A 82 2.845 -2.197 5.115 1.00 0.00 N ATOM 1164 CA VAL A 82 2.812 -0.834 5.617 1.00 0.00 C ATOM 1165 C VAL A 82 4.235 -0.272 5.646 1.00 0.00 C ATOM 1166 O VAL A 82 4.514 0.753 5.026 1.00 0.00 O ATOM 1167 CB VAL A 82 2.126 -0.796 6.985 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.443 0.507 7.721 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.616 -0.995 6.846 1.00 0.00 C ATOM 0 H VAL A 82 2.718 -2.917 5.826 1.00 0.00 H new ATOM 0 HA VAL A 82 2.224 -0.197 4.956 1.00 0.00 H new ATOM 0 HB VAL A 82 2.519 -1.620 7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.944 0.508 8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.520 0.589 7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.092 1.353 7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.153 -0.964 7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.200 -0.202 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.418 -1.961 6.382 1.00 0.00 H new ATOM 1179 N ASN A 83 5.097 -0.967 6.374 1.00 0.00 N ATOM 1180 CA ASN A 83 6.484 -0.550 6.492 1.00 0.00 C ATOM 1181 C ASN A 83 7.039 -0.239 5.100 1.00 0.00 C ATOM 1182 O ASN A 83 7.711 0.772 4.908 1.00 0.00 O ATOM 1183 CB ASN A 83 7.342 -1.657 7.106 1.00 0.00 C ATOM 1184 CG ASN A 83 8.674 -1.102 7.612 1.00 0.00 C ATOM 1185 OD1 ASN A 83 8.761 -0.482 8.660 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.705 -1.357 6.812 1.00 0.00 N ATOM 0 H ASN A 83 4.862 -1.816 6.888 1.00 0.00 H new ATOM 0 HA ASN A 83 6.518 0.330 7.134 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.803 -2.125 7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.526 -2.433 6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.638 -1.028 7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.563 -1.882 5.949 1.00 0.00 H new ATOM 1193 N VAL A 84 6.736 -1.128 4.165 1.00 0.00 N ATOM 1194 CA VAL A 84 7.196 -0.962 2.797 1.00 0.00 C ATOM 1195 C VAL A 84 6.581 0.309 2.208 1.00 0.00 C ATOM 1196 O VAL A 84 7.161 0.928 1.317 1.00 0.00 O ATOM 1197 CB VAL A 84 6.874 -2.215 1.981 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.076 -1.962 0.485 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.710 -3.406 2.453 1.00 0.00 C ATOM 0 H VAL A 84 6.177 -1.966 4.328 1.00 0.00 H new ATOM 0 HA VAL A 84 8.279 -0.842 2.770 1.00 0.00 H new ATOM 0 HB VAL A 84 5.824 -2.458 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.840 -2.869 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.419 -1.155 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.113 -1.682 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.462 -4.284 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.769 -3.176 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.496 -3.608 3.502 1.00 0.00 H new ATOM 1209 N LEU A 85 5.416 0.662 2.730 1.00 0.00 N ATOM 1210 CA LEU A 85 4.716 1.848 2.267 1.00 0.00 C ATOM 1211 C LEU A 85 5.300 3.082 2.958 1.00 0.00 C ATOM 1212 O LEU A 85 5.376 4.155 2.362 1.00 0.00 O ATOM 1213 CB LEU A 85 3.207 1.691 2.463 1.00 0.00 C ATOM 1214 CG LEU A 85 2.481 0.835 1.422 1.00 0.00 C ATOM 1215 CD1 LEU A 85 1.059 0.506 1.878 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.501 1.509 0.048 1.00 0.00 C ATOM 0 H LEU A 85 4.939 0.147 3.470 1.00 0.00 H new ATOM 0 HA LEU A 85 4.863 1.982 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.032 1.257 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.756 2.683 2.467 1.00 0.00 H new ATOM 0 HG LEU A 85 3.015 -0.111 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.566 -0.103 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.097 -0.045 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.500 1.431 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.979 0.880 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.006 2.478 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.533 1.649 -0.273 1.00 0.00 H new ATOM 1228 N LYS A 86 5.699 2.888 4.207 1.00 0.00 N ATOM 1229 CA LYS A 86 6.274 3.971 4.986 1.00 0.00 C ATOM 1230 C LYS A 86 7.732 4.175 4.570 1.00 0.00 C ATOM 1231 O LYS A 86 8.230 5.299 4.570 1.00 0.00 O ATOM 1232 CB LYS A 86 6.092 3.711 6.483 1.00 0.00 C ATOM 1233 CG LYS A 86 4.865 2.834 6.741 1.00 0.00 C ATOM 1234 CD LYS A 86 4.154 3.253 8.029 1.00 0.00 C ATOM 1235 CE LYS A 86 4.766 2.555 9.246 1.00 0.00 C ATOM 1236 NZ LYS A 86 4.961 3.518 10.352 1.00 0.00 N ATOM 0 H LYS A 86 5.635 1.996 4.698 1.00 0.00 H new ATOM 0 HA LYS A 86 5.750 4.905 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.982 3.224 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.983 4.659 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.176 2.909 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.168 1.789 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.224 4.334 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.094 3.008 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.115 1.744 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.722 2.107 8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.377 3.028 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.600 4.278 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.044 3.926 10.623 1.00 0.00 H new ATOM 1250 N SER A 87 8.375 3.069 4.226 1.00 0.00 N ATOM 1251 CA SER A 87 9.767 3.111 3.809 1.00 0.00 C ATOM 1252 C SER A 87 10.042 4.402 3.035 1.00 0.00 C ATOM 1253 O SER A 87 10.761 5.277 3.515 1.00 0.00 O ATOM 1254 CB SER A 87 10.123 1.894 2.953 1.00 0.00 C ATOM 1255 OG SER A 87 11.502 1.877 2.595 1.00 0.00 O ATOM 0 H SER A 87 7.958 2.138 4.227 1.00 0.00 H new ATOM 0 HA SER A 87 10.392 3.089 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.879 0.983 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.514 1.896 2.049 1.00 0.00 H new ATOM 0 HG SER A 87 11.689 1.084 2.051 1.00 0.00 H new ATOM 1261 N SER A 88 9.455 4.480 1.849 1.00 0.00 N ATOM 1262 CA SER A 88 9.628 5.649 1.004 1.00 0.00 C ATOM 1263 C SER A 88 8.288 6.363 0.818 1.00 0.00 C ATOM 1264 O SER A 88 7.234 5.802 1.116 1.00 0.00 O ATOM 1265 CB SER A 88 10.218 5.265 -0.354 1.00 0.00 C ATOM 1266 OG SER A 88 11.149 6.235 -0.825 1.00 0.00 O ATOM 0 H SER A 88 8.859 3.752 1.454 1.00 0.00 H new ATOM 0 HA SER A 88 10.328 6.325 1.495 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.713 4.297 -0.274 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.413 5.153 -1.080 1.00 0.00 H new ATOM 0 HG SER A 88 11.504 5.953 -1.694 1.00 0.00 H new ATOM 1272 N ARG A 89 8.370 7.591 0.327 1.00 0.00 N ATOM 1273 CA ARG A 89 7.177 8.387 0.097 1.00 0.00 C ATOM 1274 C ARG A 89 6.496 7.961 -1.205 1.00 0.00 C ATOM 1275 O ARG A 89 5.373 7.459 -1.187 1.00 0.00 O ATOM 1276 CB ARG A 89 7.515 9.878 0.023 1.00 0.00 C ATOM 1277 CG ARG A 89 8.469 10.280 1.150 1.00 0.00 C ATOM 1278 CD ARG A 89 7.840 10.021 2.520 1.00 0.00 C ATOM 1279 NE ARG A 89 8.739 9.175 3.338 1.00 0.00 N ATOM 1280 CZ ARG A 89 9.856 9.619 3.928 1.00 0.00 C ATOM 1281 NH1 ARG A 89 10.220 10.902 3.795 1.00 0.00 N ATOM 1282 NH2 ARG A 89 10.611 8.780 4.651 1.00 0.00 N ATOM 0 H ARG A 89 9.245 8.054 0.082 1.00 0.00 H new ATOM 0 HA ARG A 89 6.501 8.220 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.970 10.104 -0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.600 10.466 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.399 9.719 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.723 11.336 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.654 10.967 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.875 9.529 2.399 1.00 0.00 H new ATOM 0 HE ARG A 89 8.492 8.193 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.646 11.540 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.071 11.240 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.335 7.803 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.462 9.118 5.100 1.00 0.00 H new ATOM 1296 N SER A 90 7.205 8.175 -2.303 1.00 0.00 N ATOM 1297 CA SER A 90 6.683 7.819 -3.612 1.00 0.00 C ATOM 1298 C SER A 90 6.869 6.321 -3.859 1.00 0.00 C ATOM 1299 O SER A 90 7.995 5.845 -3.992 1.00 0.00 O ATOM 1300 CB SER A 90 7.366 8.628 -4.716 1.00 0.00 C ATOM 1301 OG SER A 90 7.778 9.914 -4.259 1.00 0.00 O ATOM 0 H SER A 90 8.137 8.590 -2.314 1.00 0.00 H new ATOM 0 HA SER A 90 5.619 8.055 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.233 8.079 -5.084 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.682 8.744 -5.557 1.00 0.00 H new ATOM 0 HG SER A 90 8.211 10.399 -4.993 1.00 0.00 H new ATOM 1307 N LEU A 91 5.746 5.619 -3.914 1.00 0.00 N ATOM 1308 CA LEU A 91 5.772 4.184 -4.144 1.00 0.00 C ATOM 1309 C LEU A 91 4.800 3.836 -5.273 1.00 0.00 C ATOM 1310 O LEU A 91 3.742 4.451 -5.399 1.00 0.00 O ATOM 1311 CB LEU A 91 5.498 3.429 -2.842 1.00 0.00 C ATOM 1312 CG LEU A 91 6.466 3.705 -1.689 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.707 3.986 -0.391 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.469 2.561 -1.531 1.00 0.00 C ATOM 0 H LEU A 91 4.813 6.017 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 91 6.763 3.867 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.489 3.673 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.514 2.360 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 91 7.036 4.603 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.418 4.179 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.067 4.858 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.094 3.122 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.145 2.782 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.934 1.634 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.043 2.451 -2.451 1.00 0.00 H new ATOM 1326 N THR A 92 5.194 2.850 -6.066 1.00 0.00 N ATOM 1327 CA THR A 92 4.371 2.412 -7.180 1.00 0.00 C ATOM 1328 C THR A 92 3.602 1.143 -6.809 1.00 0.00 C ATOM 1329 O THR A 92 4.163 0.048 -6.816 1.00 0.00 O ATOM 1330 CB THR A 92 5.280 2.237 -8.399 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.700 3.562 -8.712 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.512 1.786 -9.643 1.00 0.00 C ATOM 0 H THR A 92 6.072 2.342 -5.959 1.00 0.00 H new ATOM 0 HA THR A 92 3.611 3.154 -7.426 1.00 0.00 H new ATOM 0 HB THR A 92 6.058 1.509 -8.169 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.341 4.185 -8.046 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.204 1.677 -10.478 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.029 0.829 -9.445 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.755 2.530 -9.893 1.00 0.00 H new ATOM 1340 N ILE A 93 2.329 1.331 -6.494 1.00 0.00 N ATOM 1341 CA ILE A 93 1.477 0.215 -6.121 1.00 0.00 C ATOM 1342 C ILE A 93 0.825 -0.365 -7.377 1.00 0.00 C ATOM 1343 O ILE A 93 0.436 0.376 -8.278 1.00 0.00 O ATOM 1344 CB ILE A 93 0.473 0.643 -5.048 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.191 1.127 -3.787 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.520 -0.481 -4.747 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.332 2.133 -3.019 1.00 0.00 C ATOM 0 H ILE A 93 1.867 2.240 -6.489 1.00 0.00 H new ATOM 0 HA ILE A 93 2.068 -0.583 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.101 1.485 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.421 0.276 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.141 1.587 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.222 -0.151 -3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.067 -0.736 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.020 -1.358 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.866 2.461 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.124 2.994 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.607 1.662 -2.727 1.00 0.00 H new ATOM 1359 N SER A 94 0.724 -1.686 -7.396 1.00 0.00 N ATOM 1360 CA SER A 94 0.126 -2.375 -8.527 1.00 0.00 C ATOM 1361 C SER A 94 -1.048 -3.235 -8.055 1.00 0.00 C ATOM 1362 O SER A 94 -0.851 -4.246 -7.382 1.00 0.00 O ATOM 1363 CB SER A 94 1.158 -3.239 -9.255 1.00 0.00 C ATOM 1364 OG SER A 94 1.347 -2.822 -10.604 1.00 0.00 O ATOM 0 H SER A 94 1.046 -2.298 -6.646 1.00 0.00 H new ATOM 0 HA SER A 94 -0.240 -1.626 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.109 -3.192 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.835 -4.280 -9.239 1.00 0.00 H new ATOM 0 HG SER A 94 2.014 -3.397 -11.034 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.244 -2.802 -8.425 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.450 -3.519 -8.048 1.00 0.00 C ATOM 1372 C ILE A 95 -4.043 -4.198 -9.284 1.00 0.00 C ATOM 1373 O ILE A 95 -3.603 -3.947 -10.405 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.427 -2.585 -7.331 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.764 -1.373 -8.201 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.888 -2.175 -5.960 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -6.278 -1.201 -8.339 1.00 0.00 C ATOM 0 H ILE A 95 -2.404 -1.963 -8.982 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.216 -4.307 -7.333 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.357 -3.128 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.331 -0.474 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.317 -1.493 -9.188 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.602 -1.511 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.741 -3.064 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.937 -1.657 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.490 -0.332 -8.962 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.705 -2.092 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.719 -1.056 -7.353 1.00 0.00 H new ATOM 1389 N VAL A 96 -5.032 -5.045 -9.038 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.689 -5.762 -10.118 1.00 0.00 C ATOM 1391 C VAL A 96 -7.085 -5.174 -10.338 1.00 0.00 C ATOM 1392 O VAL A 96 -8.006 -5.886 -10.735 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.713 -7.260 -9.812 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.511 -8.023 -10.872 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.294 -7.817 -9.688 1.00 0.00 C ATOM 0 H VAL A 96 -5.394 -5.251 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.135 -5.643 -11.049 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.212 -7.398 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.513 -9.086 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.536 -7.654 -10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.053 -7.873 -11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.340 -8.884 -9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.759 -7.660 -10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.771 -7.304 -8.881 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.197 -3.881 -10.072 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.464 -3.190 -10.237 1.00 0.00 C ATOM 1407 C ALA A 97 -9.588 -4.050 -9.655 1.00 0.00 C ATOM 1408 O ALA A 97 -10.141 -4.904 -10.346 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.682 -2.869 -11.717 1.00 0.00 C ATOM 0 H ALA A 97 -6.431 -3.294 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.459 -2.244 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.633 -2.351 -11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.872 -2.233 -12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.696 -3.795 -12.292 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.892 -3.793 -8.391 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.940 -4.533 -7.709 1.00 0.00 C ATOM 1417 C ALA A 98 -10.633 -6.030 -7.785 1.00 0.00 C ATOM 1418 O ALA A 98 -11.476 -6.819 -8.209 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.296 -4.184 -8.326 1.00 0.00 C ATOM 0 H ALA A 98 -9.431 -3.083 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.981 -4.258 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.082 -4.739 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.479 -3.115 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.294 -4.449 -9.383 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.425 -6.376 -7.366 1.00 0.00 N ATOM 1426 CA ALA A 99 -8.997 -7.765 -7.381 1.00 0.00 C ATOM 1427 C ALA A 99 -9.959 -8.600 -6.533 1.00 0.00 C ATOM 1428 O ALA A 99 -10.744 -9.382 -7.068 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.552 -7.859 -6.886 1.00 0.00 C ATOM 0 H ALA A 99 -8.729 -5.719 -7.014 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.021 -8.163 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.231 -8.900 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.905 -7.273 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.490 -7.471 -5.869 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.867 -8.405 -5.226 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.719 -9.130 -4.299 1.00 0.00 C ATOM 1437 C GLY A 100 -11.846 -8.237 -3.777 1.00 0.00 C ATOM 1438 O GLY A 100 -11.982 -8.045 -2.570 1.00 0.00 O ATOM 0 H GLY A 100 -9.215 -7.755 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.142 -10.003 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.124 -9.496 -3.463 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.625 -7.714 -4.712 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.736 -6.845 -4.362 1.00 0.00 C ATOM 1444 C ARG A 101 -14.775 -7.616 -3.545 1.00 0.00 C ATOM 1445 O ARG A 101 -15.479 -7.034 -2.722 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.404 -6.272 -5.613 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.332 -4.744 -5.622 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.637 -4.137 -6.139 1.00 0.00 C ATOM 1449 NE ARG A 101 -15.384 -2.787 -6.692 1.00 0.00 N ATOM 1450 CZ ARG A 101 -16.327 -1.847 -6.841 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -17.591 -2.103 -6.479 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -16.006 -0.651 -7.352 1.00 0.00 N ATOM 0 H ARG A 101 -12.509 -7.875 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.338 -6.022 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.916 -6.668 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.446 -6.591 -5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.131 -4.380 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.502 -4.419 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -16.067 -4.779 -6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.365 -4.077 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 101 -14.432 -2.558 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -17.836 -3.014 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -18.309 -1.387 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.044 -0.456 -7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.724 0.065 -7.465 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.838 -8.914 -3.802 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.779 -9.771 -3.101 1.00 0.00 C ATOM 1468 C GLU A 102 -15.476 -9.778 -1.601 1.00 0.00 C ATOM 1469 O GLU A 102 -16.338 -10.114 -0.791 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.758 -11.191 -3.671 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.484 -11.929 -3.256 1.00 0.00 C ATOM 1472 CD GLU A 102 -13.786 -12.543 -4.471 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -13.874 -11.920 -5.551 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -13.179 -13.621 -4.292 1.00 0.00 O ATOM 0 H GLU A 102 -14.253 -9.393 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.782 -9.371 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.632 -11.741 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.822 -11.151 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.807 -11.238 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.730 -12.712 -2.539 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.248 -9.402 -1.277 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.820 -9.360 0.111 1.00 0.00 C ATOM 1483 C LEU A 103 -14.596 -8.266 0.847 1.00 0.00 C ATOM 1484 O LEU A 103 -14.628 -8.243 2.077 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.301 -9.201 0.199 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.473 -10.403 -0.261 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -9.989 -10.198 0.049 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -12.011 -11.702 0.342 1.00 0.00 C ATOM 0 H LEU A 103 -13.535 -9.124 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.048 -10.303 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.011 -8.336 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.038 -8.978 1.233 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.566 -10.488 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.423 -11.067 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.629 -9.308 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.856 -10.073 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.405 -12.541 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.968 -11.644 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.044 -11.849 0.027 1.00 0.00 H new ATOM 1500 N PHE A 104 -15.202 -7.386 0.064 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.976 -6.292 0.626 1.00 0.00 C ATOM 1502 C PHE A 104 -17.297 -6.113 -0.125 1.00 0.00 C ATOM 1503 O PHE A 104 -17.642 -5.002 -0.525 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.137 -5.023 0.467 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.661 -5.203 0.829 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.264 -5.119 2.127 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.746 -5.447 -0.148 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.895 -5.287 2.463 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.377 -5.614 0.188 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.980 -5.530 1.486 1.00 0.00 C ATOM 0 H PHE A 104 -15.173 -7.408 -0.955 1.00 0.00 H new ATOM 0 HA PHE A 104 -16.208 -6.498 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.208 -4.680 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.561 -4.238 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.990 -4.924 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.061 -5.514 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.580 -5.222 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.651 -5.808 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.938 -5.656 1.741 1.00 0.00 H new