USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 555 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 46 CYS SG : rot 78:sc= -1.1 USER MOD Set 1.2: A 78 GLN : amide:sc= -4.39! C(o=-5.5!,f=-6.4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -2.1 X(o=-2.1,f=-2) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -58:sc= 1.06 USER MOD Single : A 43 MET CE :methyl -175:sc= -0.709 (180deg=-0.73) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.308 F(o=-2,f=-0.31) USER MOD Single : A 52 HIS : no HE2:sc= -0.572 K(o=-0.57,f=-1.9) USER MOD Single : A 58 SER OG : rot -67:sc= 0.207 USER MOD Single : A 60 SER OG : rot 180:sc= -0.5 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= -0.489 (180deg=-0.489) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.542 13.075 5.155 1.00 0.00 N ATOM 191 CA ILE A 16 5.131 11.712 4.841 1.00 0.00 C ATOM 192 C ILE A 16 3.687 11.671 4.354 1.00 0.00 C ATOM 193 O ILE A 16 2.893 12.559 4.660 1.00 0.00 O ATOM 194 CB ILE A 16 5.275 10.785 6.064 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.724 10.772 6.553 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.813 9.378 5.718 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.687 10.138 5.573 1.00 0.00 C ATOM 0 HA ILE A 16 5.789 11.359 4.047 1.00 0.00 H new ATOM 0 HB ILE A 16 4.644 11.166 6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.041 11.796 6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.775 10.234 7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.921 8.735 6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.767 9.403 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.420 8.986 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.696 10.164 5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.395 9.103 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.665 10.690 4.633 1.00 0.00 H new ATOM 209 N ALA A 17 3.354 10.633 3.593 1.00 0.00 N ATOM 210 CA ALA A 17 2.005 10.474 3.066 1.00 0.00 C ATOM 211 C ALA A 17 1.437 9.102 3.414 1.00 0.00 C ATOM 212 O ALA A 17 1.907 8.082 2.913 1.00 0.00 O ATOM 213 CB ALA A 17 1.999 10.683 1.559 1.00 0.00 C ATOM 0 H ALA A 17 4.001 9.890 3.328 1.00 0.00 H new ATOM 0 HA ALA A 17 1.370 11.229 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.985 10.561 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.354 11.688 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.654 9.950 1.087 1.00 0.00 H new ATOM 219 N GLU A 18 0.425 9.086 4.275 1.00 0.00 N ATOM 220 CA GLU A 18 -0.204 7.839 4.691 1.00 0.00 C ATOM 221 C GLU A 18 -1.397 7.507 3.798 1.00 0.00 C ATOM 222 O GLU A 18 -2.422 8.188 3.833 1.00 0.00 O ATOM 223 CB GLU A 18 -0.657 7.931 6.149 1.00 0.00 C ATOM 224 CG GLU A 18 -0.746 6.583 6.845 1.00 0.00 C ATOM 225 CD GLU A 18 -1.775 6.569 7.960 1.00 0.00 C ATOM 226 OE1 GLU A 18 -2.819 7.237 7.813 1.00 0.00 O ATOM 227 OE2 GLU A 18 -1.533 5.890 8.980 1.00 0.00 O ATOM 0 H GLU A 18 0.023 9.923 4.698 1.00 0.00 H new ATOM 0 HA GLU A 18 0.533 7.042 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.037 8.568 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.633 8.416 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.999 5.816 6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.231 6.324 7.254 1.00 0.00 H new ATOM 234 N VAL A 19 -1.254 6.456 2.996 1.00 0.00 N ATOM 235 CA VAL A 19 -2.318 6.032 2.093 1.00 0.00 C ATOM 236 C VAL A 19 -2.723 4.588 2.363 1.00 0.00 C ATOM 237 O VAL A 19 -1.945 3.662 2.137 1.00 0.00 O ATOM 238 CB VAL A 19 -1.891 6.168 0.620 1.00 0.00 C ATOM 239 CG1 VAL A 19 -2.994 5.674 -0.303 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.525 7.610 0.303 1.00 0.00 C ATOM 0 H VAL A 19 -0.412 5.883 2.953 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.170 6.686 2.277 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.009 5.549 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.674 5.778 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.203 4.626 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.896 6.264 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.226 7.688 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.387 8.252 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.699 7.925 0.941 1.00 0.00 H new ATOM 250 N GLU A 20 -3.948 4.402 2.846 1.00 0.00 N ATOM 251 CA GLU A 20 -4.457 3.070 3.145 1.00 0.00 C ATOM 252 C GLU A 20 -5.323 2.548 2.002 1.00 0.00 C ATOM 253 O GLU A 20 -5.994 3.318 1.316 1.00 0.00 O ATOM 254 CB GLU A 20 -5.266 3.088 4.444 1.00 0.00 C ATOM 255 CG GLU A 20 -6.664 3.659 4.282 1.00 0.00 C ATOM 256 CD GLU A 20 -6.655 5.135 3.934 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.396 5.955 4.840 1.00 0.00 O ATOM 258 OE2 GLU A 20 -6.907 5.469 2.758 1.00 0.00 O ATOM 0 H GLU A 20 -4.606 5.158 3.038 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.604 2.403 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.340 2.071 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.728 3.673 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.189 3.109 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.222 3.511 5.206 1.00 0.00 H new ATOM 265 N VAL A 21 -5.300 1.234 1.802 1.00 0.00 N ATOM 266 CA VAL A 21 -6.083 0.607 0.743 1.00 0.00 C ATOM 267 C VAL A 21 -6.936 -0.532 1.290 1.00 0.00 C ATOM 268 O VAL A 21 -6.705 -1.018 2.396 1.00 0.00 O ATOM 269 CB VAL A 21 -5.177 0.063 -0.377 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.217 -0.982 0.172 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.015 -0.513 -1.507 1.00 0.00 C ATOM 0 H VAL A 21 -4.747 0.583 2.360 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.734 1.379 0.332 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.588 0.888 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.585 -1.355 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.593 -0.533 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.785 -1.808 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.358 -0.893 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.632 -1.326 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.656 0.266 -1.918 1.00 0.00 H new ATOM 281 N SER A 22 -7.924 -0.952 0.506 1.00 0.00 N ATOM 282 CA SER A 22 -8.815 -2.033 0.913 1.00 0.00 C ATOM 283 C SER A 22 -8.331 -3.372 0.365 1.00 0.00 C ATOM 284 O SER A 22 -8.237 -3.560 -0.848 1.00 0.00 O ATOM 285 CB SER A 22 -10.240 -1.756 0.430 1.00 0.00 C ATOM 286 OG SER A 22 -11.057 -2.906 0.568 1.00 0.00 O ATOM 0 H SER A 22 -8.128 -0.561 -0.414 1.00 0.00 H new ATOM 0 HA SER A 22 -8.811 -2.084 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.667 -0.932 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.219 -1.444 -0.614 1.00 0.00 H new ATOM 0 HG SER A 22 -11.963 -2.703 0.254 1.00 0.00 H new ATOM 292 N ILE A 23 -8.025 -4.298 1.267 1.00 0.00 N ATOM 293 CA ILE A 23 -7.551 -5.619 0.874 1.00 0.00 C ATOM 294 C ILE A 23 -7.877 -6.659 1.941 1.00 0.00 C ATOM 295 O ILE A 23 -7.742 -6.416 3.141 1.00 0.00 O ATOM 296 CB ILE A 23 -6.033 -5.620 0.618 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.683 -4.646 -0.509 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.554 -7.024 0.279 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.201 -4.562 -0.796 1.00 0.00 C ATOM 0 H ILE A 23 -8.097 -4.158 2.275 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.066 -5.877 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.526 -5.293 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.204 -4.951 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.051 -3.654 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.479 -7.008 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.774 -7.694 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.065 -7.376 -0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.027 -3.853 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.676 -4.227 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.831 -5.545 -1.088 1.00 0.00 H new ATOM 311 N PRO A 24 -8.313 -7.846 1.497 1.00 0.00 N ATOM 312 CA PRO A 24 -8.664 -8.949 2.397 1.00 0.00 C ATOM 313 C PRO A 24 -7.442 -9.546 3.086 1.00 0.00 C ATOM 314 O PRO A 24 -6.343 -9.545 2.532 1.00 0.00 O ATOM 315 CB PRO A 24 -9.308 -9.978 1.465 1.00 0.00 C ATOM 316 CG PRO A 24 -8.724 -9.691 0.124 1.00 0.00 C ATOM 317 CD PRO A 24 -8.498 -8.205 0.081 1.00 0.00 C ATOM 0 HA PRO A 24 -9.316 -8.621 3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.085 -10.996 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.393 -9.878 1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.789 -10.232 -0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.399 -10.006 -0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.623 -7.949 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.347 -7.682 -0.358 1.00 0.00 H new ATOM 325 N ALA A 25 -7.641 -10.055 4.298 1.00 0.00 N ATOM 326 CA ALA A 25 -6.555 -10.658 5.062 1.00 0.00 C ATOM 327 C ALA A 25 -6.049 -11.928 4.386 1.00 0.00 C ATOM 328 O ALA A 25 -4.853 -12.219 4.405 1.00 0.00 O ATOM 329 CB ALA A 25 -7.012 -10.958 6.481 1.00 0.00 C ATOM 0 H ALA A 25 -8.544 -10.062 4.772 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.731 -9.946 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.192 -11.408 7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.318 -10.032 6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.854 -11.649 6.453 1.00 0.00 H new ATOM 335 N LYS A 26 -6.966 -12.682 3.791 1.00 0.00 N ATOM 336 CA LYS A 26 -6.615 -13.922 3.110 1.00 0.00 C ATOM 337 C LYS A 26 -5.541 -13.676 2.054 1.00 0.00 C ATOM 338 O LYS A 26 -4.726 -14.554 1.767 1.00 0.00 O ATOM 339 CB LYS A 26 -7.853 -14.540 2.457 1.00 0.00 C ATOM 340 CG LYS A 26 -8.173 -13.960 1.091 1.00 0.00 C ATOM 341 CD LYS A 26 -9.432 -14.579 0.504 1.00 0.00 C ATOM 342 CE LYS A 26 -10.143 -13.614 -0.433 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.447 -14.156 -0.903 1.00 0.00 N ATOM 0 H LYS A 26 -7.960 -12.455 3.767 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.220 -14.615 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.704 -15.615 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.711 -14.395 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.301 -12.881 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.334 -14.130 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.173 -15.489 -0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.106 -14.868 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.307 -12.666 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.505 -13.406 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.900 -13.469 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.288 -15.048 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.065 -14.331 -0.085 1.00 0.00 H new ATOM 357 N LEU A 27 -5.544 -12.478 1.481 1.00 0.00 N ATOM 358 CA LEU A 27 -4.569 -12.116 0.458 1.00 0.00 C ATOM 359 C LEU A 27 -3.272 -11.625 1.092 1.00 0.00 C ATOM 360 O LEU A 27 -2.178 -11.959 0.634 1.00 0.00 O ATOM 361 CB LEU A 27 -5.141 -11.036 -0.461 1.00 0.00 C ATOM 362 CG LEU A 27 -6.226 -11.492 -1.438 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.767 -10.308 -2.225 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.681 -12.556 -2.380 1.00 0.00 C ATOM 0 H LEU A 27 -6.211 -11.740 1.707 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.350 -13.007 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.550 -10.239 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.321 -10.604 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.045 -11.926 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.538 -10.651 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.195 -9.579 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.957 -9.844 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.466 -12.869 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.844 -12.147 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.342 -13.415 -1.801 1.00 0.00 H new ATOM 376 N HIS A 28 -3.400 -10.830 2.150 1.00 0.00 N ATOM 377 CA HIS A 28 -2.237 -10.296 2.850 1.00 0.00 C ATOM 378 C HIS A 28 -1.107 -11.320 2.889 1.00 0.00 C ATOM 379 O HIS A 28 -0.030 -11.091 2.341 1.00 0.00 O ATOM 380 CB HIS A 28 -2.617 -9.883 4.273 1.00 0.00 C ATOM 381 CG HIS A 28 -3.513 -8.684 4.330 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.923 -8.107 5.513 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.078 -7.954 3.341 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.702 -7.073 5.250 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.812 -6.958 3.939 1.00 0.00 N ATOM 0 H HIS A 28 -4.297 -10.542 2.541 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.888 -9.418 2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.112 -10.720 4.765 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.708 -9.674 4.837 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.665 -8.428 6.446 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.972 -8.123 2.280 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.169 -6.431 5.982 1.00 0.00 H new ATOM 393 N ASN A 29 -1.361 -12.449 3.542 1.00 0.00 N ATOM 394 CA ASN A 29 -0.365 -13.508 3.653 1.00 0.00 C ATOM 395 C ASN A 29 0.395 -13.681 2.341 1.00 0.00 C ATOM 396 O ASN A 29 1.620 -13.573 2.303 1.00 0.00 O ATOM 397 CB ASN A 29 -1.034 -14.827 4.045 1.00 0.00 C ATOM 398 CG ASN A 29 -1.279 -14.929 5.538 1.00 0.00 C ATOM 399 OD1 ASN A 29 -2.379 -14.657 6.018 1.00 0.00 O ATOM 400 ND2 ASN A 29 -0.251 -15.324 6.281 1.00 0.00 N ATOM 0 H ASN A 29 -2.248 -12.654 4.002 1.00 0.00 H new ATOM 0 HA ASN A 29 0.346 -13.224 4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.983 -14.921 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.407 -15.659 3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.356 -15.412 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.644 -15.539 5.841 1.00 0.00 H new ATOM 407 N SER A 30 -0.342 -13.949 1.268 1.00 0.00 N ATOM 408 CA SER A 30 0.261 -14.140 -0.045 1.00 0.00 C ATOM 409 C SER A 30 1.100 -12.927 -0.439 1.00 0.00 C ATOM 410 O SER A 30 2.311 -13.033 -0.636 1.00 0.00 O ATOM 411 CB SER A 30 -0.822 -14.388 -1.097 1.00 0.00 C ATOM 412 OG SER A 30 -1.108 -15.770 -1.217 1.00 0.00 O ATOM 0 H SER A 30 -1.358 -14.039 1.283 1.00 0.00 H new ATOM 0 HA SER A 30 0.914 -15.011 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.729 -13.848 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.495 -13.996 -2.060 1.00 0.00 H new ATOM 0 HG SER A 30 -1.804 -15.902 -1.894 1.00 0.00 H new ATOM 418 N LEU A 31 0.448 -11.776 -0.552 1.00 0.00 N ATOM 419 CA LEU A 31 1.131 -10.542 -0.922 1.00 0.00 C ATOM 420 C LEU A 31 2.462 -10.415 -0.188 1.00 0.00 C ATOM 421 O LEU A 31 3.510 -10.231 -0.807 1.00 0.00 O ATOM 422 CB LEU A 31 0.248 -9.333 -0.611 1.00 0.00 C ATOM 423 CG LEU A 31 -0.686 -8.877 -1.734 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.808 -8.015 -1.179 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.093 -8.121 -2.801 1.00 0.00 C ATOM 0 H LEU A 31 -0.554 -11.671 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 31 1.329 -10.574 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.357 -9.566 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.893 -8.497 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.129 -9.761 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.462 -7.700 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.383 -8.590 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.385 -7.136 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.587 -7.804 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.564 -7.245 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.860 -8.772 -3.221 1.00 0.00 H new ATOM 437 N ILE A 32 2.412 -10.516 1.136 1.00 0.00 N ATOM 438 CA ILE A 32 3.614 -10.417 1.955 1.00 0.00 C ATOM 439 C ILE A 32 4.684 -11.396 1.483 1.00 0.00 C ATOM 440 O ILE A 32 5.836 -11.020 1.274 1.00 0.00 O ATOM 441 CB ILE A 32 3.308 -10.685 3.441 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.211 -9.741 3.936 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.568 -10.527 4.279 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.503 -10.235 5.178 1.00 0.00 C ATOM 0 H ILE A 32 1.553 -10.666 1.664 1.00 0.00 H new ATOM 0 HA ILE A 32 3.985 -9.398 1.847 1.00 0.00 H new ATOM 0 HB ILE A 32 2.953 -11.710 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.649 -8.764 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.478 -9.601 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.335 -10.720 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.323 -11.236 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.950 -9.512 4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.739 -9.516 5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.035 -11.198 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.224 -10.348 5.987 1.00 0.00 H new ATOM 456 N GLY A 33 4.293 -12.656 1.317 1.00 0.00 N ATOM 457 CA GLY A 33 5.230 -13.670 0.870 1.00 0.00 C ATOM 458 C GLY A 33 5.640 -14.613 1.984 1.00 0.00 C ATOM 459 O GLY A 33 5.192 -14.473 3.123 1.00 0.00 O ATOM 0 H GLY A 33 3.345 -12.992 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.780 -14.244 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.118 -13.186 0.463 1.00 0.00 H new ATOM 463 N THR A 34 6.494 -15.578 1.656 1.00 0.00 N ATOM 464 CA THR A 34 6.962 -16.549 2.637 1.00 0.00 C ATOM 465 C THR A 34 7.607 -15.857 3.833 1.00 0.00 C ATOM 466 O THR A 34 7.263 -16.131 4.982 1.00 0.00 O ATOM 467 CB THR A 34 7.977 -17.528 2.017 1.00 0.00 C ATOM 468 OG1 THR A 34 8.336 -18.532 2.973 1.00 0.00 O ATOM 469 CG2 THR A 34 9.226 -16.792 1.554 1.00 0.00 C ATOM 0 H THR A 34 6.875 -15.708 0.719 1.00 0.00 H new ATOM 0 HA THR A 34 6.087 -17.106 2.972 1.00 0.00 H new ATOM 0 HB THR A 34 7.511 -18.000 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.980 -19.151 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.928 -17.504 1.120 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.954 -16.048 0.805 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.692 -16.296 2.405 1.00 0.00 H new ATOM 477 N LYS A 35 8.543 -14.956 3.555 1.00 0.00 N ATOM 478 CA LYS A 35 9.236 -14.221 4.606 1.00 0.00 C ATOM 479 C LYS A 35 9.192 -12.720 4.341 1.00 0.00 C ATOM 480 O LYS A 35 10.192 -12.022 4.500 1.00 0.00 O ATOM 481 CB LYS A 35 10.689 -14.689 4.712 1.00 0.00 C ATOM 482 CG LYS A 35 10.831 -16.132 5.165 1.00 0.00 C ATOM 483 CD LYS A 35 10.866 -16.240 6.680 1.00 0.00 C ATOM 484 CE LYS A 35 12.275 -16.054 7.221 1.00 0.00 C ATOM 485 NZ LYS A 35 12.270 -15.675 8.662 1.00 0.00 N ATOM 0 H LYS A 35 8.839 -14.717 2.609 1.00 0.00 H new ATOM 0 HA LYS A 35 8.727 -14.420 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.171 -14.572 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.220 -14.043 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.999 -16.720 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.744 -16.557 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.207 -15.489 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.484 -17.214 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.839 -16.977 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.787 -15.283 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.249 -15.557 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.753 -14.781 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.804 -16.422 9.216 1.00 0.00 H new ATOM 499 N GLY A 36 8.024 -12.228 3.936 1.00 0.00 N ATOM 500 CA GLY A 36 7.872 -10.812 3.657 1.00 0.00 C ATOM 501 C GLY A 36 8.802 -10.335 2.559 1.00 0.00 C ATOM 502 O GLY A 36 8.951 -9.133 2.341 1.00 0.00 O ATOM 0 H GLY A 36 7.181 -12.785 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.840 -10.610 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.066 -10.243 4.566 1.00 0.00 H new ATOM 506 N ARG A 37 9.430 -11.279 1.866 1.00 0.00 N ATOM 507 CA ARG A 37 10.353 -10.948 0.787 1.00 0.00 C ATOM 508 C ARG A 37 9.620 -10.266 -0.365 1.00 0.00 C ATOM 509 O ARG A 37 9.997 -9.175 -0.796 1.00 0.00 O ATOM 510 CB ARG A 37 11.055 -12.211 0.282 1.00 0.00 C ATOM 511 CG ARG A 37 11.736 -12.030 -1.065 1.00 0.00 C ATOM 512 CD ARG A 37 12.814 -13.080 -1.288 1.00 0.00 C ATOM 513 NE ARG A 37 12.250 -14.365 -1.697 1.00 0.00 N ATOM 514 CZ ARG A 37 11.646 -14.564 -2.863 1.00 0.00 C ATOM 515 NH1 ARG A 37 11.528 -13.569 -3.731 1.00 0.00 N ATOM 516 NH2 ARG A 37 11.159 -15.761 -3.163 1.00 0.00 N ATOM 0 H ARG A 37 9.317 -12.279 2.032 1.00 0.00 H new ATOM 0 HA ARG A 37 11.100 -10.258 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.798 -12.522 1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.325 -13.017 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.994 -12.094 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.178 -11.035 -1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.509 -12.730 -2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.388 -13.211 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 37 12.324 -15.152 -1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.902 -12.647 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.064 -13.725 -4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.248 -16.529 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.695 -15.913 -4.059 1.00 0.00 H new ATOM 530 N LEU A 38 8.572 -10.914 -0.859 1.00 0.00 N ATOM 531 CA LEU A 38 7.786 -10.371 -1.962 1.00 0.00 C ATOM 532 C LEU A 38 7.517 -8.883 -1.757 1.00 0.00 C ATOM 533 O LEU A 38 7.749 -8.072 -2.654 1.00 0.00 O ATOM 534 CB LEU A 38 6.462 -11.127 -2.091 1.00 0.00 C ATOM 535 CG LEU A 38 5.873 -11.214 -3.500 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.602 -9.822 -4.051 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.808 -11.982 -4.422 1.00 0.00 C ATOM 0 H LEU A 38 8.246 -11.817 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 38 8.359 -10.495 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.607 -12.140 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.729 -10.649 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 38 4.927 -11.752 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.183 -9.903 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.894 -9.306 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.534 -9.259 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.373 -12.034 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.770 -11.472 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.952 -12.991 -4.036 1.00 0.00 H new ATOM 549 N ILE A 39 7.028 -8.533 -0.572 1.00 0.00 N ATOM 550 CA ILE A 39 6.733 -7.143 -0.250 1.00 0.00 C ATOM 551 C ILE A 39 8.013 -6.347 -0.020 1.00 0.00 C ATOM 552 O ILE A 39 8.179 -5.252 -0.558 1.00 0.00 O ATOM 553 CB ILE A 39 5.842 -7.033 1.002 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.391 -7.378 0.654 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.931 -5.635 1.596 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.728 -6.359 -0.246 1.00 0.00 C ATOM 0 H ILE A 39 6.828 -9.192 0.180 1.00 0.00 H new ATOM 0 HA ILE A 39 6.199 -6.728 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 39 6.198 -7.746 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.364 -8.353 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.816 -7.466 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.296 -5.574 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.963 -5.424 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.598 -4.905 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.703 -6.667 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.723 -5.387 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.280 -6.288 -1.183 1.00 0.00 H new ATOM 568 N ARG A 40 8.914 -6.905 0.780 1.00 0.00 N ATOM 569 CA ARG A 40 10.181 -6.248 1.080 1.00 0.00 C ATOM 570 C ARG A 40 10.838 -5.727 -0.194 1.00 0.00 C ATOM 571 O ARG A 40 11.538 -4.715 -0.174 1.00 0.00 O ATOM 572 CB ARG A 40 11.125 -7.215 1.795 1.00 0.00 C ATOM 573 CG ARG A 40 10.999 -7.182 3.310 1.00 0.00 C ATOM 574 CD ARG A 40 12.313 -7.544 3.986 1.00 0.00 C ATOM 575 NE ARG A 40 12.503 -8.990 4.075 1.00 0.00 N ATOM 576 CZ ARG A 40 13.652 -9.560 4.418 1.00 0.00 C ATOM 577 NH1 ARG A 40 14.708 -8.812 4.702 1.00 0.00 N ATOM 578 NH2 ARG A 40 13.746 -10.883 4.477 1.00 0.00 N ATOM 0 H ARG A 40 8.791 -7.811 1.233 1.00 0.00 H new ATOM 0 HA ARG A 40 9.976 -5.401 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.927 -8.228 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.152 -6.977 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.686 -6.188 3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.222 -7.877 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.140 -7.103 3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.336 -7.113 4.987 1.00 0.00 H new ATOM 0 HE ARG A 40 11.710 -9.595 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.640 -7.795 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.589 -9.253 4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.935 -11.462 4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.629 -11.320 4.741 1.00 0.00 H new ATOM 592 N SER A 41 10.608 -6.426 -1.301 1.00 0.00 N ATOM 593 CA SER A 41 11.182 -6.036 -2.585 1.00 0.00 C ATOM 594 C SER A 41 10.500 -4.784 -3.126 1.00 0.00 C ATOM 595 O SER A 41 11.158 -3.872 -3.626 1.00 0.00 O ATOM 596 CB SER A 41 11.052 -7.179 -3.592 1.00 0.00 C ATOM 597 OG SER A 41 9.701 -7.373 -3.973 1.00 0.00 O ATOM 0 H SER A 41 10.029 -7.265 -1.335 1.00 0.00 H new ATOM 0 HA SER A 41 12.238 -5.815 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.654 -6.961 -4.474 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.446 -8.098 -3.157 1.00 0.00 H new ATOM 0 HG SER A 41 9.161 -7.563 -3.178 1.00 0.00 H new ATOM 603 N ILE A 42 9.174 -4.748 -3.025 1.00 0.00 N ATOM 604 CA ILE A 42 8.402 -3.609 -3.503 1.00 0.00 C ATOM 605 C ILE A 42 8.752 -2.343 -2.727 1.00 0.00 C ATOM 606 O ILE A 42 8.845 -1.258 -3.300 1.00 0.00 O ATOM 607 CB ILE A 42 6.888 -3.867 -3.389 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.510 -5.151 -4.129 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.106 -2.683 -3.937 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.100 -5.619 -3.847 1.00 0.00 C ATOM 0 H ILE A 42 8.613 -5.496 -2.616 1.00 0.00 H new ATOM 0 HA ILE A 42 8.660 -3.471 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 42 6.634 -3.989 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.623 -4.989 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.208 -5.940 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.038 -2.881 -3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.357 -1.787 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.362 -2.532 -4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.902 -6.534 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.988 -5.813 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.393 -4.848 -4.152 1.00 0.00 H new ATOM 622 N MET A 43 8.944 -2.491 -1.421 1.00 0.00 N ATOM 623 CA MET A 43 9.286 -1.359 -0.566 1.00 0.00 C ATOM 624 C MET A 43 10.694 -0.855 -0.869 1.00 0.00 C ATOM 625 O MET A 43 10.979 0.333 -0.731 1.00 0.00 O ATOM 626 CB MET A 43 9.180 -1.755 0.908 1.00 0.00 C ATOM 627 CG MET A 43 7.772 -2.139 1.334 1.00 0.00 C ATOM 628 SD MET A 43 7.582 -2.204 3.126 1.00 0.00 S ATOM 629 CE MET A 43 8.891 -3.347 3.563 1.00 0.00 C ATOM 0 H MET A 43 8.869 -3.382 -0.931 1.00 0.00 H new ATOM 0 HA MET A 43 8.579 -0.555 -0.770 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.850 -2.593 1.100 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.524 -0.924 1.525 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.063 -1.420 0.923 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.521 -3.111 0.910 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.846 -3.560 4.631 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.767 -4.274 3.003 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.857 -2.903 3.321 1.00 0.00 H new ATOM 639 N GLU A 44 11.568 -1.767 -1.284 1.00 0.00 N ATOM 640 CA GLU A 44 12.945 -1.413 -1.605 1.00 0.00 C ATOM 641 C GLU A 44 13.027 -0.722 -2.963 1.00 0.00 C ATOM 642 O GLU A 44 13.554 0.384 -3.076 1.00 0.00 O ATOM 643 CB GLU A 44 13.830 -2.662 -1.602 1.00 0.00 C ATOM 644 CG GLU A 44 15.310 -2.358 -1.446 1.00 0.00 C ATOM 645 CD GLU A 44 15.603 -1.486 -0.240 1.00 0.00 C ATOM 646 OE1 GLU A 44 15.531 -0.246 -0.374 1.00 0.00 O ATOM 647 OE2 GLU A 44 15.904 -2.043 0.836 1.00 0.00 O ATOM 0 H GLU A 44 11.347 -2.755 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 44 13.302 -0.721 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.515 -3.318 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.676 -3.209 -2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.862 -3.294 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.672 -1.860 -2.346 1.00 0.00 H new ATOM 654 N GLU A 45 12.501 -1.383 -3.990 1.00 0.00 N ATOM 655 CA GLU A 45 12.516 -0.833 -5.340 1.00 0.00 C ATOM 656 C GLU A 45 11.779 0.502 -5.392 1.00 0.00 C ATOM 657 O GLU A 45 12.197 1.427 -6.089 1.00 0.00 O ATOM 658 CB GLU A 45 11.881 -1.818 -6.323 1.00 0.00 C ATOM 659 CG GLU A 45 10.395 -2.035 -6.092 1.00 0.00 C ATOM 660 CD GLU A 45 9.806 -3.078 -7.023 1.00 0.00 C ATOM 661 OE1 GLU A 45 9.592 -2.760 -8.211 1.00 0.00 O ATOM 662 OE2 GLU A 45 9.559 -4.212 -6.562 1.00 0.00 O ATOM 0 H GLU A 45 12.060 -2.299 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 45 13.555 -0.666 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.033 -1.453 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.396 -2.776 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.233 -2.342 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.868 -1.091 -6.230 1.00 0.00 H new ATOM 669 N CYS A 46 10.680 0.593 -4.650 1.00 0.00 N ATOM 670 CA CYS A 46 9.882 1.813 -4.612 1.00 0.00 C ATOM 671 C CYS A 46 10.713 2.990 -4.109 1.00 0.00 C ATOM 672 O CYS A 46 10.894 3.982 -4.814 1.00 0.00 O ATOM 673 CB CYS A 46 8.657 1.619 -3.718 1.00 0.00 C ATOM 674 SG CYS A 46 7.264 0.811 -4.541 1.00 0.00 S ATOM 0 H CYS A 46 10.322 -0.163 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 46 9.550 2.033 -5.627 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.945 1.027 -2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.332 2.592 -3.348 1.00 0.00 H new ATOM 0 HG CYS A 46 7.489 -0.467 -4.621 1.00 0.00 H new ATOM 680 N GLY A 47 11.214 2.872 -2.883 1.00 0.00 N ATOM 681 CA GLY A 47 12.017 3.934 -2.304 1.00 0.00 C ATOM 682 C GLY A 47 12.326 3.695 -0.841 1.00 0.00 C ATOM 683 O GLY A 47 13.362 4.129 -0.339 1.00 0.00 O ATOM 0 H GLY A 47 11.078 2.060 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.951 4.023 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.491 4.883 -2.411 1.00 0.00 H new ATOM 687 N GLY A 48 11.425 3.003 -0.151 1.00 0.00 N ATOM 688 CA GLY A 48 11.624 2.721 1.258 1.00 0.00 C ATOM 689 C GLY A 48 10.370 2.949 2.079 1.00 0.00 C ATOM 690 O GLY A 48 10.445 3.297 3.257 1.00 0.00 O ATOM 0 H GLY A 48 10.560 2.632 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.948 1.687 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.425 3.352 1.642 1.00 0.00 H new ATOM 694 N VAL A 49 9.212 2.754 1.454 1.00 0.00 N ATOM 695 CA VAL A 49 7.937 2.942 2.133 1.00 0.00 C ATOM 696 C VAL A 49 7.633 1.774 3.065 1.00 0.00 C ATOM 697 O VAL A 49 8.067 0.645 2.826 1.00 0.00 O ATOM 698 CB VAL A 49 6.781 3.094 1.127 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.019 4.290 0.218 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.614 1.820 0.311 1.00 0.00 C ATOM 0 H VAL A 49 9.132 2.466 0.479 1.00 0.00 H new ATOM 0 HA VAL A 49 8.023 3.858 2.718 1.00 0.00 H new ATOM 0 HB VAL A 49 5.859 3.267 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.192 4.382 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.086 5.197 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.950 4.150 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.793 1.945 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.534 1.615 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.395 0.987 0.978 1.00 0.00 H new ATOM 710 N HIS A 50 6.885 2.050 4.128 1.00 0.00 N ATOM 711 CA HIS A 50 6.523 1.021 5.096 1.00 0.00 C ATOM 712 C HIS A 50 5.038 0.681 4.998 1.00 0.00 C ATOM 713 O HIS A 50 4.180 1.516 5.286 1.00 0.00 O ATOM 714 CB HIS A 50 6.858 1.484 6.514 1.00 0.00 C ATOM 715 CG HIS A 50 8.304 1.822 6.708 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.210 2.356 5.854 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 8.974 1.616 7.895 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.397 2.461 6.535 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.228 2.008 7.765 1.00 0.00 N flip ATOM 0 H HIS A 50 6.518 2.977 4.341 1.00 0.00 H new ATOM 0 HA HIS A 50 7.100 0.125 4.868 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.254 2.359 6.754 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.579 0.701 7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.540 1.199 8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.320 2.851 6.131 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.944 1.968 8.490 1.00 0.00 H new ATOM 727 N ILE A 51 4.743 -0.548 4.588 1.00 0.00 N ATOM 728 CA ILE A 51 3.363 -0.997 4.452 1.00 0.00 C ATOM 729 C ILE A 51 2.867 -1.647 5.739 1.00 0.00 C ATOM 730 O ILE A 51 3.642 -2.254 6.479 1.00 0.00 O ATOM 731 CB ILE A 51 3.208 -1.997 3.292 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.814 -1.422 2.010 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.742 -2.344 3.082 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.192 -2.477 0.994 1.00 0.00 C ATOM 0 H ILE A 51 5.441 -1.251 4.344 1.00 0.00 H new ATOM 0 HA ILE A 51 2.763 -0.112 4.240 1.00 0.00 H new ATOM 0 HB ILE A 51 3.744 -2.911 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.101 -0.733 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.700 -0.841 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.650 -3.052 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.340 -2.791 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.184 -1.438 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.615 -1.997 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.929 -3.153 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.305 -3.043 0.709 1.00 0.00 H new ATOM 746 N HIS A 52 1.570 -1.518 5.999 1.00 0.00 N ATOM 747 CA HIS A 52 0.968 -2.096 7.196 1.00 0.00 C ATOM 748 C HIS A 52 0.121 -3.314 6.844 1.00 0.00 C ATOM 749 O HIS A 52 -0.809 -3.226 6.043 1.00 0.00 O ATOM 750 CB HIS A 52 0.112 -1.054 7.916 1.00 0.00 C ATOM 751 CG HIS A 52 0.911 -0.061 8.702 1.00 0.00 C ATOM 752 ND1 HIS A 52 0.837 0.046 10.074 1.00 0.00 N ATOM 753 CD2 HIS A 52 1.804 0.873 8.300 1.00 0.00 C ATOM 754 CE1 HIS A 52 1.650 1.004 10.483 1.00 0.00 C ATOM 755 NE2 HIS A 52 2.249 1.522 9.426 1.00 0.00 N ATOM 0 H HIS A 52 0.915 -1.018 5.397 1.00 0.00 H new ATOM 0 HA HIS A 52 1.772 -2.415 7.859 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.492 -0.522 7.181 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.579 -1.564 8.587 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.247 -0.525 10.679 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.110 1.071 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.799 1.311 11.508 1.00 0.00 H new ATOM 763 N PHE A 53 0.450 -4.452 7.448 1.00 0.00 N ATOM 764 CA PHE A 53 -0.280 -5.689 7.198 1.00 0.00 C ATOM 765 C PHE A 53 -0.670 -6.366 8.508 1.00 0.00 C ATOM 766 O PHE A 53 0.129 -7.056 9.142 1.00 0.00 O ATOM 767 CB PHE A 53 0.566 -6.642 6.350 1.00 0.00 C ATOM 768 CG PHE A 53 0.381 -6.456 4.872 1.00 0.00 C ATOM 769 CD1 PHE A 53 -0.724 -6.986 4.226 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.311 -5.747 4.128 1.00 0.00 C ATOM 771 CE1 PHE A 53 -0.896 -6.816 2.864 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.144 -5.573 2.767 1.00 0.00 C ATOM 773 CZ PHE A 53 0.039 -6.107 2.134 1.00 0.00 C ATOM 0 H PHE A 53 1.217 -4.542 8.114 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.191 -5.440 6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.618 -6.498 6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.314 -7.669 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.459 -7.538 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.176 -5.325 4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.760 -7.237 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.877 -5.020 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.094 -5.971 1.071 1.00 0.00 H new ATOM 783 N PRO A 54 -1.929 -6.164 8.925 1.00 0.00 N ATOM 784 CA PRO A 54 -2.455 -6.745 10.164 1.00 0.00 C ATOM 785 C PRO A 54 -2.625 -8.258 10.068 1.00 0.00 C ATOM 786 O PRO A 54 -3.085 -8.777 9.051 1.00 0.00 O ATOM 787 CB PRO A 54 -3.816 -6.064 10.326 1.00 0.00 C ATOM 788 CG PRO A 54 -4.214 -5.677 8.944 1.00 0.00 C ATOM 789 CD PRO A 54 -2.936 -5.353 8.220 1.00 0.00 C ATOM 0 HA PRO A 54 -1.781 -6.587 11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.545 -6.739 10.773 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.747 -5.192 10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.747 -6.489 8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.884 -4.817 8.957 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.995 -5.615 7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.703 -4.289 8.272 1.00 0.00 H new ATOM 797 N VAL A 55 -2.252 -8.960 11.134 1.00 0.00 N ATOM 798 CA VAL A 55 -2.365 -10.413 11.170 1.00 0.00 C ATOM 799 C VAL A 55 -3.797 -10.860 10.895 1.00 0.00 C ATOM 800 O VAL A 55 -4.745 -10.329 11.473 1.00 0.00 O ATOM 801 CB VAL A 55 -1.916 -10.978 12.530 1.00 0.00 C ATOM 802 CG1 VAL A 55 -1.982 -12.496 12.527 1.00 0.00 C ATOM 803 CG2 VAL A 55 -0.513 -10.497 12.868 1.00 0.00 C ATOM 0 H VAL A 55 -1.869 -8.546 11.984 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.710 -10.800 10.390 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.597 -10.612 13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.661 -12.876 13.497 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.006 -12.815 12.333 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.327 -12.887 11.749 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.211 -10.905 13.832 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.182 -10.832 12.098 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.503 -9.408 12.916 1.00 0.00 H new ATOM 813 N GLU A 56 -3.946 -11.838 10.007 1.00 0.00 N ATOM 814 CA GLU A 56 -5.262 -12.356 9.656 1.00 0.00 C ATOM 815 C GLU A 56 -6.181 -12.380 10.874 1.00 0.00 C ATOM 816 O GLU A 56 -7.319 -11.916 10.817 1.00 0.00 O ATOM 817 CB GLU A 56 -5.141 -13.763 9.068 1.00 0.00 C ATOM 818 CG GLU A 56 -4.117 -14.633 9.777 1.00 0.00 C ATOM 819 CD GLU A 56 -4.725 -15.461 10.892 1.00 0.00 C ATOM 820 OE1 GLU A 56 -5.866 -15.938 10.723 1.00 0.00 O ATOM 821 OE2 GLU A 56 -4.059 -15.630 11.935 1.00 0.00 O ATOM 0 H GLU A 56 -3.172 -12.287 9.518 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.696 -11.693 8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.114 -14.252 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.872 -13.685 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.646 -15.297 9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.330 -14.000 10.187 1.00 0.00 H new ATOM 828 N GLY A 57 -5.678 -12.926 11.978 1.00 0.00 N ATOM 829 CA GLY A 57 -6.466 -13.002 13.193 1.00 0.00 C ATOM 830 C GLY A 57 -7.276 -11.744 13.438 1.00 0.00 C ATOM 831 O GLY A 57 -8.484 -11.811 13.665 1.00 0.00 O ATOM 0 H GLY A 57 -4.739 -13.317 12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.139 -13.858 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.804 -13.175 14.042 1.00 0.00 H new ATOM 835 N SER A 58 -6.610 -10.595 13.394 1.00 0.00 N ATOM 836 CA SER A 58 -7.276 -9.316 13.618 1.00 0.00 C ATOM 837 C SER A 58 -8.428 -9.125 12.636 1.00 0.00 C ATOM 838 O SER A 58 -9.432 -8.491 12.956 1.00 0.00 O ATOM 839 CB SER A 58 -6.277 -8.166 13.481 1.00 0.00 C ATOM 840 OG SER A 58 -6.060 -7.838 12.120 1.00 0.00 O ATOM 0 H SER A 58 -5.610 -10.523 13.205 1.00 0.00 H new ATOM 0 HA SER A 58 -7.681 -9.317 14.630 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.649 -7.291 14.014 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.331 -8.444 13.946 1.00 0.00 H new ATOM 0 HG SER A 58 -5.599 -8.579 11.674 1.00 0.00 H new ATOM 846 N GLY A 59 -8.274 -9.678 11.436 1.00 0.00 N ATOM 847 CA GLY A 59 -9.308 -9.557 10.426 1.00 0.00 C ATOM 848 C GLY A 59 -9.224 -8.249 9.665 1.00 0.00 C ATOM 849 O GLY A 59 -9.858 -8.087 8.623 1.00 0.00 O ATOM 0 H GLY A 59 -7.452 -10.207 11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.226 -10.388 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.286 -9.636 10.900 1.00 0.00 H new ATOM 853 N SER A 60 -8.441 -7.311 10.188 1.00 0.00 N ATOM 854 CA SER A 60 -8.281 -6.007 9.554 1.00 0.00 C ATOM 855 C SER A 60 -7.914 -6.161 8.080 1.00 0.00 C ATOM 856 O SER A 60 -6.874 -6.728 7.744 1.00 0.00 O ATOM 857 CB SER A 60 -7.205 -5.194 10.276 1.00 0.00 C ATOM 858 OG SER A 60 -6.950 -3.973 9.602 1.00 0.00 O ATOM 0 H SER A 60 -7.907 -7.429 11.049 1.00 0.00 H new ATOM 0 HA SER A 60 -9.232 -5.479 9.621 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.524 -4.989 11.298 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.286 -5.777 10.340 1.00 0.00 H new ATOM 0 HG SER A 60 -6.260 -3.471 10.084 1.00 0.00 H new ATOM 864 N ASP A 61 -8.775 -5.652 7.207 1.00 0.00 N ATOM 865 CA ASP A 61 -8.543 -5.731 5.770 1.00 0.00 C ATOM 866 C ASP A 61 -8.160 -4.366 5.205 1.00 0.00 C ATOM 867 O ASP A 61 -8.554 -4.008 4.096 1.00 0.00 O ATOM 868 CB ASP A 61 -9.789 -6.259 5.058 1.00 0.00 C ATOM 869 CG ASP A 61 -11.070 -5.881 5.776 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.087 -4.824 6.442 1.00 0.00 O ATOM 871 OD2 ASP A 61 -12.055 -6.641 5.672 1.00 0.00 O ATOM 0 H ASP A 61 -9.640 -5.180 7.469 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.716 -6.421 5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.817 -5.867 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.727 -7.344 4.980 1.00 0.00 H new ATOM 876 N THR A 62 -7.389 -3.607 5.978 1.00 0.00 N ATOM 877 CA THR A 62 -6.955 -2.281 5.557 1.00 0.00 C ATOM 878 C THR A 62 -5.436 -2.156 5.615 1.00 0.00 C ATOM 879 O THR A 62 -4.847 -2.131 6.696 1.00 0.00 O ATOM 880 CB THR A 62 -7.582 -1.180 6.432 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.010 -1.219 6.317 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.074 0.194 6.022 1.00 0.00 C ATOM 0 H THR A 62 -7.053 -3.888 6.899 1.00 0.00 H new ATOM 0 HA THR A 62 -7.289 -2.151 4.528 1.00 0.00 H new ATOM 0 HB THR A 62 -7.294 -1.362 7.467 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.403 -0.517 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.531 0.955 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.991 0.230 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.336 0.383 4.981 1.00 0.00 H new ATOM 890 N VAL A 63 -4.808 -2.076 4.446 1.00 0.00 N ATOM 891 CA VAL A 63 -3.358 -1.951 4.364 1.00 0.00 C ATOM 892 C VAL A 63 -2.932 -0.487 4.354 1.00 0.00 C ATOM 893 O VAL A 63 -3.227 0.250 3.413 1.00 0.00 O ATOM 894 CB VAL A 63 -2.805 -2.643 3.104 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.315 -2.375 2.959 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.084 -4.139 3.153 1.00 0.00 C ATOM 0 H VAL A 63 -5.281 -2.096 3.543 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.948 -2.440 5.248 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.311 -2.230 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.941 -2.872 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.145 -1.302 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.789 -2.760 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.687 -4.613 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.606 -4.570 4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.160 -4.307 3.206 1.00 0.00 H new ATOM 906 N VAL A 64 -2.236 -0.071 5.408 1.00 0.00 N ATOM 907 CA VAL A 64 -1.768 1.305 5.520 1.00 0.00 C ATOM 908 C VAL A 64 -0.299 1.418 5.129 1.00 0.00 C ATOM 909 O VAL A 64 0.558 0.734 5.688 1.00 0.00 O ATOM 910 CB VAL A 64 -1.949 1.844 6.951 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.338 3.231 7.081 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.422 1.864 7.329 1.00 0.00 C ATOM 0 H VAL A 64 -1.984 -0.668 6.196 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.371 1.902 4.836 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.429 1.179 7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.476 3.595 8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.273 3.182 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.827 3.911 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.532 2.248 8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.967 2.506 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.824 0.852 7.278 1.00 0.00 H new ATOM 922 N ILE A 65 -0.014 2.288 4.165 1.00 0.00 N ATOM 923 CA ILE A 65 1.351 2.493 3.699 1.00 0.00 C ATOM 924 C ILE A 65 1.897 3.836 4.172 1.00 0.00 C ATOM 925 O ILE A 65 1.170 4.829 4.226 1.00 0.00 O ATOM 926 CB ILE A 65 1.438 2.428 2.163 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.789 1.142 1.648 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.889 2.514 1.710 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.636 1.103 0.144 1.00 0.00 C ATOM 0 H ILE A 65 -0.712 2.862 3.692 1.00 0.00 H new ATOM 0 HA ILE A 65 1.953 1.689 4.122 1.00 0.00 H new ATOM 0 HB ILE A 65 0.897 3.278 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.389 0.289 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.193 1.031 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.934 2.467 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.321 3.455 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.452 1.682 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.169 0.163 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.011 1.935 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.617 1.182 -0.324 1.00 0.00 H new ATOM 941 N ARG A 66 3.182 3.861 4.512 1.00 0.00 N ATOM 942 CA ARG A 66 3.825 5.082 4.979 1.00 0.00 C ATOM 943 C ARG A 66 5.029 5.429 4.108 1.00 0.00 C ATOM 944 O ARG A 66 5.773 4.548 3.678 1.00 0.00 O ATOM 945 CB ARG A 66 4.266 4.926 6.436 1.00 0.00 C ATOM 946 CG ARG A 66 3.208 5.353 7.440 1.00 0.00 C ATOM 947 CD ARG A 66 3.406 4.669 8.784 1.00 0.00 C ATOM 948 NE ARG A 66 4.289 5.431 9.662 1.00 0.00 N ATOM 949 CZ ARG A 66 4.838 4.934 10.764 1.00 0.00 C ATOM 950 NH1 ARG A 66 4.597 3.680 11.122 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.631 5.691 11.511 1.00 0.00 N ATOM 0 H ARG A 66 3.798 3.049 4.472 1.00 0.00 H new ATOM 0 HA ARG A 66 3.101 5.894 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.528 3.884 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.169 5.515 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.246 6.434 7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.218 5.114 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.439 4.537 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.822 3.674 8.626 1.00 0.00 H new ATOM 0 HE ARG A 66 4.496 6.399 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.988 3.094 10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.020 3.301 11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.819 6.656 11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.052 5.308 12.357 1.00 0.00 H new ATOM 965 N GLY A 67 5.214 6.720 3.850 1.00 0.00 N ATOM 966 CA GLY A 67 6.327 7.162 3.031 1.00 0.00 C ATOM 967 C GLY A 67 5.945 8.285 2.088 1.00 0.00 C ATOM 968 O GLY A 67 4.854 8.851 2.173 1.00 0.00 O ATOM 0 H GLY A 67 4.612 7.468 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.139 7.495 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.705 6.319 2.452 1.00 0.00 H new ATOM 972 N PRO A 68 6.856 8.624 1.164 1.00 0.00 N ATOM 973 CA PRO A 68 6.630 9.691 0.184 1.00 0.00 C ATOM 974 C PRO A 68 5.578 9.313 -0.852 1.00 0.00 C ATOM 975 O PRO A 68 5.726 8.325 -1.570 1.00 0.00 O ATOM 976 CB PRO A 68 8.000 9.856 -0.481 1.00 0.00 C ATOM 977 CG PRO A 68 8.666 8.535 -0.309 1.00 0.00 C ATOM 978 CD PRO A 68 8.176 7.992 1.005 1.00 0.00 C ATOM 0 HA PRO A 68 6.254 10.601 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.900 10.115 -1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.575 10.654 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.414 7.861 -1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.751 8.642 -0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.102 6.905 0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.848 8.253 1.823 1.00 0.00 H new ATOM 986 N SER A 69 4.514 10.106 -0.924 1.00 0.00 N ATOM 987 CA SER A 69 3.433 9.853 -1.871 1.00 0.00 C ATOM 988 C SER A 69 3.988 9.426 -3.226 1.00 0.00 C ATOM 989 O SER A 69 3.693 8.334 -3.713 1.00 0.00 O ATOM 990 CB SER A 69 2.565 11.103 -2.033 1.00 0.00 C ATOM 991 OG SER A 69 2.007 11.170 -3.333 1.00 0.00 O ATOM 0 H SER A 69 4.377 10.929 -0.338 1.00 0.00 H new ATOM 0 HA SER A 69 2.820 9.043 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.767 11.094 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.165 11.993 -1.845 1.00 0.00 H new ATOM 0 HG SER A 69 1.456 11.976 -3.411 1.00 0.00 H new ATOM 997 N SER A 70 4.794 10.295 -3.829 1.00 0.00 N ATOM 998 CA SER A 70 5.387 10.010 -5.131 1.00 0.00 C ATOM 999 C SER A 70 5.733 8.530 -5.258 1.00 0.00 C ATOM 1000 O SER A 70 5.625 7.946 -6.336 1.00 0.00 O ATOM 1001 CB SER A 70 6.642 10.859 -5.338 1.00 0.00 C ATOM 1002 OG SER A 70 6.971 10.955 -6.713 1.00 0.00 O ATOM 0 H SER A 70 5.051 11.201 -3.437 1.00 0.00 H new ATOM 0 HA SER A 70 4.656 10.261 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.482 11.856 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.476 10.420 -4.791 1.00 0.00 H new ATOM 0 HG SER A 70 7.776 11.504 -6.819 1.00 0.00 H new ATOM 1008 N ASP A 71 6.150 7.929 -4.148 1.00 0.00 N ATOM 1009 CA ASP A 71 6.511 6.516 -4.135 1.00 0.00 C ATOM 1010 C ASP A 71 5.331 5.658 -3.691 1.00 0.00 C ATOM 1011 O ASP A 71 5.173 4.521 -4.137 1.00 0.00 O ATOM 1012 CB ASP A 71 7.704 6.283 -3.207 1.00 0.00 C ATOM 1013 CG ASP A 71 8.849 7.238 -3.484 1.00 0.00 C ATOM 1014 OD1 ASP A 71 8.645 8.463 -3.349 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.948 6.761 -3.834 1.00 0.00 O ATOM 0 H ASP A 71 6.246 8.398 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 71 6.786 6.226 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.383 6.396 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.055 5.257 -3.321 1.00 0.00 H new ATOM 1020 N VAL A 72 4.504 6.208 -2.807 1.00 0.00 N ATOM 1021 CA VAL A 72 3.338 5.493 -2.302 1.00 0.00 C ATOM 1022 C VAL A 72 2.368 5.157 -3.431 1.00 0.00 C ATOM 1023 O VAL A 72 1.750 4.094 -3.434 1.00 0.00 O ATOM 1024 CB VAL A 72 2.597 6.314 -1.231 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.464 5.501 -0.624 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.564 6.782 -0.155 1.00 0.00 C ATOM 0 H VAL A 72 4.620 7.147 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 72 3.703 4.569 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 72 2.166 7.194 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.952 6.098 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.758 5.221 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.869 4.601 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.023 7.361 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.027 5.917 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.337 7.405 -0.606 1.00 0.00 H new ATOM 1036 N GLU A 73 2.242 6.072 -4.387 1.00 0.00 N ATOM 1037 CA GLU A 73 1.347 5.872 -5.521 1.00 0.00 C ATOM 1038 C GLU A 73 1.682 4.578 -6.257 1.00 0.00 C ATOM 1039 O GLU A 73 0.792 3.825 -6.650 1.00 0.00 O ATOM 1040 CB GLU A 73 1.435 7.058 -6.484 1.00 0.00 C ATOM 1041 CG GLU A 73 2.850 7.362 -6.946 1.00 0.00 C ATOM 1042 CD GLU A 73 2.901 8.478 -7.972 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.720 8.188 -9.173 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.123 9.641 -7.574 1.00 0.00 O ATOM 0 H GLU A 73 2.748 6.958 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 73 0.329 5.799 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.813 6.855 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.023 7.942 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.458 7.637 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.291 6.461 -7.372 1.00 0.00 H new ATOM 1051 N LYS A 74 2.975 4.328 -6.442 1.00 0.00 N ATOM 1052 CA LYS A 74 3.430 3.126 -7.130 1.00 0.00 C ATOM 1053 C LYS A 74 3.218 1.889 -6.264 1.00 0.00 C ATOM 1054 O LYS A 74 2.560 0.935 -6.679 1.00 0.00 O ATOM 1055 CB LYS A 74 4.910 3.255 -7.499 1.00 0.00 C ATOM 1056 CG LYS A 74 5.215 4.457 -8.376 1.00 0.00 C ATOM 1057 CD LYS A 74 6.708 4.609 -8.615 1.00 0.00 C ATOM 1058 CE LYS A 74 7.404 5.238 -7.417 1.00 0.00 C ATOM 1059 NZ LYS A 74 8.832 5.546 -7.704 1.00 0.00 N ATOM 0 H LYS A 74 3.725 4.942 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 74 2.842 3.015 -8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.499 3.324 -6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.228 2.349 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.702 4.351 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.827 5.360 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.146 3.632 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.875 5.225 -9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.885 6.154 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.343 4.561 -6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.271 5.973 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.334 4.669 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.890 6.212 -8.501 1.00 0.00 H new ATOM 1073 N ALA A 75 3.777 1.913 -5.058 1.00 0.00 N ATOM 1074 CA ALA A 75 3.644 0.795 -4.133 1.00 0.00 C ATOM 1075 C ALA A 75 2.191 0.349 -4.014 1.00 0.00 C ATOM 1076 O ALA A 75 1.909 -0.823 -3.765 1.00 0.00 O ATOM 1077 CB ALA A 75 4.195 1.174 -2.766 1.00 0.00 C ATOM 0 H ALA A 75 4.326 2.694 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 75 4.221 -0.041 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.090 0.330 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.249 1.436 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.642 2.028 -2.375 1.00 0.00 H new ATOM 1083 N LYS A 76 1.272 1.291 -4.194 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.154 0.996 -4.108 1.00 0.00 C ATOM 1085 C LYS A 76 -0.616 0.185 -5.315 1.00 0.00 C ATOM 1086 O LYS A 76 -1.193 -0.892 -5.168 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.960 2.294 -4.013 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.456 2.071 -3.877 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.240 3.319 -4.250 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.694 3.213 -3.815 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.468 4.437 -4.163 1.00 0.00 N ATOM 0 H LYS A 76 1.489 2.266 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.323 0.404 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.607 2.869 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.770 2.896 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.761 1.243 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.691 1.785 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.782 4.191 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.192 3.472 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.153 2.346 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.740 3.048 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.453 4.325 -3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.046 5.261 -3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.446 4.581 -5.193 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.355 0.710 -6.508 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.741 0.034 -7.741 1.00 0.00 C ATOM 1107 C LYS A 77 -0.117 -1.355 -7.819 1.00 0.00 C ATOM 1108 O LYS A 77 -0.701 -2.277 -8.389 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.317 0.864 -8.956 1.00 0.00 C ATOM 1110 CG LYS A 77 1.171 0.792 -9.252 1.00 0.00 C ATOM 1111 CD LYS A 77 1.463 1.091 -10.713 1.00 0.00 C ATOM 1112 CE LYS A 77 2.831 1.733 -10.887 1.00 0.00 C ATOM 1113 NZ LYS A 77 2.760 3.219 -10.814 1.00 0.00 N ATOM 0 H LYS A 77 0.122 1.601 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.826 -0.074 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.870 0.521 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.596 1.905 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.704 1.503 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.546 -0.200 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.417 0.168 -11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.695 1.755 -11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.506 1.363 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.252 1.436 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.712 3.619 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.136 3.574 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.382 3.503 -9.888 1.00 0.00 H new ATOM 1127 N GLN A 78 1.071 -1.498 -7.240 1.00 0.00 N ATOM 1128 CA GLN A 78 1.773 -2.777 -7.244 1.00 0.00 C ATOM 1129 C GLN A 78 1.088 -3.777 -6.319 1.00 0.00 C ATOM 1130 O GLN A 78 1.044 -4.974 -6.605 1.00 0.00 O ATOM 1131 CB GLN A 78 3.228 -2.584 -6.817 1.00 0.00 C ATOM 1132 CG GLN A 78 4.081 -1.881 -7.861 1.00 0.00 C ATOM 1133 CD GLN A 78 5.397 -1.382 -7.300 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.229 -2.166 -6.841 1.00 0.00 O ATOM 1135 NE2 GLN A 78 5.595 -0.068 -7.333 1.00 0.00 N ATOM 0 H GLN A 78 1.567 -0.745 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 78 1.749 -3.173 -8.259 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.253 -2.008 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.666 -3.558 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.278 -2.567 -8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.524 -1.040 -8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.879 0.546 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.463 0.326 -6.969 1.00 0.00 H new ATOM 1144 N LEU A 79 0.553 -3.279 -5.210 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.132 -4.129 -4.242 1.00 0.00 C ATOM 1146 C LEU A 79 -1.497 -4.562 -4.766 1.00 0.00 C ATOM 1147 O LEU A 79 -1.885 -5.724 -4.632 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.295 -3.392 -2.911 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.301 -4.265 -1.657 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.110 -4.433 -1.115 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.213 -3.667 -0.595 1.00 0.00 C ATOM 0 H LEU A 79 0.580 -2.291 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 79 0.476 -5.020 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.512 -2.666 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.228 -2.829 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.684 -5.249 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.085 -5.058 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.736 -4.906 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.522 -3.456 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.205 -4.302 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.859 -2.671 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.229 -3.600 -0.984 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.220 -3.624 -5.365 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.542 -3.909 -5.913 1.00 0.00 C ATOM 1165 C LEU A 80 -3.455 -4.938 -7.036 1.00 0.00 C ATOM 1166 O LEU A 80 -4.320 -5.805 -7.165 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.188 -2.623 -6.433 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.021 -1.835 -5.420 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.135 -0.888 -4.624 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.128 -1.066 -6.125 1.00 0.00 C ATOM 0 H LEU A 80 -1.914 -2.658 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.159 -4.321 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.400 -1.971 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.826 -2.877 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.480 -2.540 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.744 -0.335 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.377 -1.461 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.648 -0.188 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.711 -0.511 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.689 -0.370 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.778 -1.765 -6.651 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.406 -4.835 -7.847 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.205 -5.759 -8.957 1.00 0.00 C ATOM 1184 C HIS A 81 -1.940 -7.172 -8.447 1.00 0.00 C ATOM 1185 O HIS A 81 -2.637 -8.118 -8.819 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.040 -5.292 -9.831 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.943 -6.019 -11.137 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -1.942 -5.999 -12.086 1.00 0.00 N ATOM 1189 CD2 HIS A 81 0.045 -6.791 -11.650 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.575 -6.727 -13.125 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.372 -7.218 -12.885 1.00 0.00 N ATOM 0 H HIS A 81 -1.683 -4.121 -7.756 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.116 -5.774 -9.556 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.147 -4.225 -10.026 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.108 -5.424 -9.281 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.986 -7.026 -11.175 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.159 -6.893 -14.018 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.160 -7.817 -13.516 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.930 -7.310 -7.596 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.572 -8.608 -7.036 1.00 0.00 C ATOM 1201 C LEU A 82 -1.722 -9.182 -6.215 1.00 0.00 C ATOM 1202 O LEU A 82 -2.159 -10.310 -6.442 1.00 0.00 O ATOM 1203 CB LEU A 82 0.679 -8.483 -6.165 1.00 0.00 C ATOM 1204 CG LEU A 82 1.903 -7.855 -6.834 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.927 -7.439 -5.790 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.519 -8.823 -7.834 1.00 0.00 C ATOM 0 H LEU A 82 -0.344 -6.538 -7.278 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.365 -9.288 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.427 -7.891 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.953 -9.477 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 82 1.582 -6.963 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.791 -6.994 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.481 -6.710 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.244 -8.314 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.388 -8.360 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.826 -9.733 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.785 -9.070 -8.601 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.210 -8.396 -5.260 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.313 -8.825 -4.407 1.00 0.00 C ATOM 1220 C ALA A 83 -4.288 -9.710 -5.176 1.00 0.00 C ATOM 1221 O ALA A 83 -4.671 -10.781 -4.705 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.034 -7.616 -3.831 1.00 0.00 C ATOM 0 H ALA A 83 -1.859 -7.460 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.900 -9.412 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.855 -7.950 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.336 -7.024 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.429 -7.006 -4.644 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.689 -9.253 -6.358 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.622 -10.004 -7.191 1.00 0.00 C ATOM 1230 C GLU A 84 -4.884 -11.032 -8.043 1.00 0.00 C ATOM 1231 O GLU A 84 -5.314 -12.179 -8.161 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.417 -9.054 -8.088 1.00 0.00 C ATOM 1233 CG GLU A 84 -7.217 -8.017 -7.320 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.575 -8.535 -6.884 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -9.282 -9.131 -7.723 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.930 -8.343 -5.702 1.00 0.00 O ATOM 0 H GLU A 84 -4.383 -8.367 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.313 -10.533 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.729 -8.543 -8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.097 -9.638 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.652 -7.705 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.352 -7.133 -7.943 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.771 -10.611 -8.637 1.00 0.00 N ATOM 1244 CA GLU A 85 -2.976 -11.494 -9.481 1.00 0.00 C ATOM 1245 C GLU A 85 -3.003 -12.925 -8.949 1.00 0.00 C ATOM 1246 O GLU A 85 -3.433 -13.848 -9.639 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.532 -10.995 -9.561 1.00 0.00 C ATOM 1248 CG GLU A 85 -0.877 -11.241 -10.910 1.00 0.00 C ATOM 1249 CD GLU A 85 -0.341 -12.652 -11.050 1.00 0.00 C ATOM 1250 OE1 GLU A 85 0.469 -13.065 -10.195 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -0.733 -13.342 -12.015 1.00 0.00 O ATOM 0 H GLU A 85 -3.400 -9.665 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.411 -11.488 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.513 -9.926 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.943 -11.486 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.602 -11.052 -11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.061 -10.531 -11.048 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.537 -13.100 -7.717 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.506 -14.416 -7.090 1.00 0.00 C ATOM 1260 C LYS A 86 -3.717 -15.245 -7.508 1.00 0.00 C ATOM 1261 O LYS A 86 -3.577 -16.390 -7.934 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.471 -14.277 -5.566 1.00 0.00 C ATOM 1263 CG LYS A 86 -1.070 -14.121 -5.002 1.00 0.00 C ATOM 1264 CD LYS A 86 -0.536 -12.714 -5.213 1.00 0.00 C ATOM 1265 CE LYS A 86 0.683 -12.444 -4.345 1.00 0.00 C ATOM 1266 NZ LYS A 86 1.944 -12.869 -5.013 1.00 0.00 N ATOM 0 H LYS A 86 -2.175 -12.346 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.603 -14.929 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.069 -13.414 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.938 -15.154 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.078 -14.352 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.403 -14.839 -5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.274 -12.577 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.316 -11.989 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.735 -11.380 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.578 -12.972 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.752 -12.668 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.905 -13.889 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.057 -12.347 -5.905 1.00 0.00 H new