USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 605 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 47 TYR OH : rot -29:sc= 1.41 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 130:sc= 1.01 (180deg=0.04) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.477 (180deg=-1.17) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.74 X(o=-2.7,f=-3.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -144:sc= -2.3! (180deg=-4.44!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -4.91! C(o=-4.9!,f=-11!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 94:sc= 1.19 USER MOD Single : A 44 TYR OH : rot 165:sc= -0.671 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 26:sc= 0.116! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.289 USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00336) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 37:sc= 0.191 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 103 ASN : amide:sc= -0.791 X(o=-0.79,f=-0.42) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 100:sc= -0.0122 USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.464 -0.762 12.027 1.00 0.00 N ATOM 193 CA LYS A 13 1.485 -1.269 10.659 1.00 0.00 C ATOM 194 C LYS A 13 0.462 -0.524 9.804 1.00 0.00 C ATOM 195 O LYS A 13 -0.600 -0.136 10.290 1.00 0.00 O ATOM 196 CB LYS A 13 1.183 -2.776 10.655 1.00 0.00 C ATOM 197 CG LYS A 13 0.950 -3.368 9.268 1.00 0.00 C ATOM 198 CD LYS A 13 2.224 -3.967 8.697 1.00 0.00 C ATOM 199 CE LYS A 13 2.550 -5.305 9.341 1.00 0.00 C ATOM 200 NZ LYS A 13 3.022 -6.303 8.342 1.00 0.00 N ATOM 0 HA LYS A 13 2.476 -1.106 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.013 -3.302 11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.300 -2.959 11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.179 -4.136 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.579 -2.592 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.115 -4.098 7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.053 -3.276 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.317 -5.164 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.665 -5.689 9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.911 -7.262 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.460 -6.215 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.025 -6.131 8.126 1.00 0.00 H new ATOM 214 N PRO A 14 0.779 -0.301 8.514 1.00 0.00 N ATOM 215 CA PRO A 14 -0.114 0.418 7.600 1.00 0.00 C ATOM 216 C PRO A 14 -1.461 -0.272 7.457 1.00 0.00 C ATOM 217 O PRO A 14 -1.587 -1.470 7.708 1.00 0.00 O ATOM 218 CB PRO A 14 0.638 0.399 6.263 1.00 0.00 C ATOM 219 CG PRO A 14 2.062 0.152 6.622 1.00 0.00 C ATOM 220 CD PRO A 14 2.032 -0.708 7.853 1.00 0.00 C ATOM 0 HA PRO A 14 -0.338 1.422 7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.256 -0.383 5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.523 1.344 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.589 -0.348 5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.585 1.089 6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.030 -1.769 7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.899 -0.532 8.489 1.00 0.00 H new ATOM 228 N VAL A 15 -2.469 0.496 7.064 1.00 0.00 N ATOM 229 CA VAL A 15 -3.811 -0.040 6.904 1.00 0.00 C ATOM 230 C VAL A 15 -3.917 -0.926 5.665 1.00 0.00 C ATOM 231 O VAL A 15 -3.758 -0.461 4.527 1.00 0.00 O ATOM 232 CB VAL A 15 -4.863 1.085 6.834 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.734 2.010 8.036 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.739 1.866 5.534 1.00 0.00 C ATOM 0 H VAL A 15 -2.381 1.490 6.851 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.013 -0.651 7.784 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.853 0.629 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.484 2.798 7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.886 1.439 8.952 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.739 2.456 8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.492 2.654 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.746 2.311 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.890 1.193 4.690 1.00 0.00 H new ATOM 244 N LYS A 16 -4.194 -2.206 5.903 1.00 0.00 N ATOM 245 CA LYS A 16 -4.341 -3.182 4.832 1.00 0.00 C ATOM 246 C LYS A 16 -5.806 -3.580 4.691 1.00 0.00 C ATOM 247 O LYS A 16 -6.580 -3.459 5.641 1.00 0.00 O ATOM 248 CB LYS A 16 -3.483 -4.420 5.110 1.00 0.00 C ATOM 249 CG LYS A 16 -3.719 -5.037 6.479 1.00 0.00 C ATOM 250 CD LYS A 16 -3.608 -6.553 6.428 1.00 0.00 C ATOM 251 CE LYS A 16 -2.489 -7.061 7.323 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.334 -8.539 7.236 1.00 0.00 N ATOM 0 H LYS A 16 -4.322 -2.592 6.839 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.002 -2.731 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.685 -5.169 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.431 -4.149 5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.993 -4.641 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.707 -4.755 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.553 -6.999 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.427 -6.871 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.552 -6.581 7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.694 -6.778 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.561 -8.844 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.219 -8.999 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.113 -8.808 6.256 1.00 0.00 H new ATOM 266 N PHE A 17 -6.191 -4.045 3.509 1.00 0.00 N ATOM 267 CA PHE A 17 -7.573 -4.444 3.270 1.00 0.00 C ATOM 268 C PHE A 17 -7.666 -5.504 2.182 1.00 0.00 C ATOM 269 O PHE A 17 -6.706 -5.754 1.460 1.00 0.00 O ATOM 270 CB PHE A 17 -8.407 -3.226 2.870 1.00 0.00 C ATOM 271 CG PHE A 17 -7.770 -2.397 1.789 1.00 0.00 C ATOM 272 CD1 PHE A 17 -6.958 -1.322 2.110 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.984 -2.695 0.452 1.00 0.00 C ATOM 274 CE1 PHE A 17 -6.371 -0.560 1.119 1.00 0.00 C ATOM 275 CE2 PHE A 17 -7.399 -1.935 -0.544 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.591 -0.865 -0.209 1.00 0.00 C ATOM 0 H PHE A 17 -5.571 -4.155 2.706 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.962 -4.869 4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.387 -3.561 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.570 -2.602 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.782 -1.077 3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.615 -3.530 0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.739 0.275 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.573 -2.177 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.133 -0.269 -0.984 1.00 0.00 H new ATOM 286 N GLN A 18 -8.839 -6.117 2.064 1.00 0.00 N ATOM 287 CA GLN A 18 -9.064 -7.144 1.055 1.00 0.00 C ATOM 288 C GLN A 18 -9.869 -6.579 -0.109 1.00 0.00 C ATOM 289 O GLN A 18 -10.930 -5.988 0.089 1.00 0.00 O ATOM 290 CB GLN A 18 -9.796 -8.342 1.664 1.00 0.00 C ATOM 291 CG GLN A 18 -9.324 -9.679 1.123 1.00 0.00 C ATOM 292 CD GLN A 18 -10.471 -10.576 0.713 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.445 -10.123 0.112 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.363 -11.857 1.036 1.00 0.00 N ATOM 0 H GLN A 18 -9.647 -5.920 2.654 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.095 -7.477 0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.661 -8.329 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.865 -8.239 1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.674 -9.511 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.726 -10.184 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.538 -12.189 1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.105 -12.510 0.786 1.00 0.00 H new ATOM 303 N LEU A 19 -9.361 -6.763 -1.322 1.00 0.00 N ATOM 304 CA LEU A 19 -10.039 -6.267 -2.513 1.00 0.00 C ATOM 305 C LEU A 19 -10.629 -7.416 -3.328 1.00 0.00 C ATOM 306 O LEU A 19 -11.600 -7.231 -4.061 1.00 0.00 O ATOM 307 CB LEU A 19 -9.072 -5.450 -3.375 1.00 0.00 C ATOM 308 CG LEU A 19 -9.112 -3.937 -3.146 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.237 -3.222 -4.162 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.542 -3.421 -3.220 1.00 0.00 C ATOM 0 H LEU A 19 -8.484 -7.251 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.857 -5.623 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.058 -5.803 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.290 -5.648 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.724 -3.731 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.277 -2.147 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.208 -3.568 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.597 -3.437 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.549 -2.344 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.957 -3.640 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.145 -3.909 -2.455 1.00 0.00 H new ATOM 322 N GLU A 20 -10.039 -8.601 -3.196 1.00 0.00 N ATOM 323 CA GLU A 20 -10.516 -9.774 -3.923 1.00 0.00 C ATOM 324 C GLU A 20 -10.923 -10.885 -2.961 1.00 0.00 C ATOM 325 O GLU A 20 -10.301 -11.077 -1.918 1.00 0.00 O ATOM 326 CB GLU A 20 -9.438 -10.285 -4.883 1.00 0.00 C ATOM 327 CG GLU A 20 -8.692 -9.178 -5.609 1.00 0.00 C ATOM 328 CD GLU A 20 -9.580 -8.406 -6.564 1.00 0.00 C ATOM 329 OE1 GLU A 20 -9.298 -7.214 -6.806 1.00 0.00 O ATOM 330 OE2 GLU A 20 -10.559 -8.994 -7.072 1.00 0.00 O ATOM 0 H GLU A 20 -9.233 -8.774 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.392 -9.477 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.722 -10.887 -4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.901 -10.942 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.267 -8.491 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.858 -9.609 -6.163 1.00 0.00 H new ATOM 337 N ASP A 21 -11.973 -11.614 -3.324 1.00 0.00 N ATOM 338 CA ASP A 21 -12.476 -12.712 -2.501 1.00 0.00 C ATOM 339 C ASP A 21 -11.475 -13.865 -2.423 1.00 0.00 C ATOM 340 O ASP A 21 -11.633 -14.778 -1.613 1.00 0.00 O ATOM 341 CB ASP A 21 -13.807 -13.219 -3.058 1.00 0.00 C ATOM 342 CG ASP A 21 -13.685 -13.717 -4.484 1.00 0.00 C ATOM 343 OD1 ASP A 21 -13.899 -14.926 -4.712 1.00 0.00 O ATOM 344 OD2 ASP A 21 -13.377 -12.898 -5.375 1.00 0.00 O ATOM 0 H ASP A 21 -12.496 -11.464 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.624 -12.327 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.179 -14.025 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.544 -12.417 -3.018 1.00 0.00 H new ATOM 349 N ASP A 22 -10.454 -13.830 -3.276 1.00 0.00 N ATOM 350 CA ASP A 22 -9.446 -14.886 -3.302 1.00 0.00 C ATOM 351 C ASP A 22 -8.393 -14.692 -2.211 1.00 0.00 C ATOM 352 O ASP A 22 -7.474 -15.500 -2.081 1.00 0.00 O ATOM 353 CB ASP A 22 -8.771 -14.933 -4.676 1.00 0.00 C ATOM 354 CG ASP A 22 -9.298 -16.063 -5.539 1.00 0.00 C ATOM 355 OD1 ASP A 22 -10.308 -15.851 -6.242 1.00 0.00 O ATOM 356 OD2 ASP A 22 -8.699 -17.158 -5.515 1.00 0.00 O ATOM 0 H ASP A 22 -10.303 -13.085 -3.956 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.953 -15.832 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.929 -13.984 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.695 -15.050 -4.546 1.00 0.00 H new ATOM 361 N GLY A 23 -8.532 -13.629 -1.422 1.00 0.00 N ATOM 362 CA GLY A 23 -7.584 -13.378 -0.352 1.00 0.00 C ATOM 363 C GLY A 23 -6.551 -12.325 -0.707 1.00 0.00 C ATOM 364 O GLY A 23 -5.471 -12.288 -0.117 1.00 0.00 O ATOM 0 H GLY A 23 -9.280 -12.941 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.126 -13.061 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.074 -14.308 -0.101 1.00 0.00 H new ATOM 368 N GLU A 24 -6.879 -11.463 -1.664 1.00 0.00 N ATOM 369 CA GLU A 24 -5.961 -10.407 -2.077 1.00 0.00 C ATOM 370 C GLU A 24 -5.987 -9.256 -1.080 1.00 0.00 C ATOM 371 O GLU A 24 -7.014 -8.604 -0.898 1.00 0.00 O ATOM 372 CB GLU A 24 -6.325 -9.894 -3.471 1.00 0.00 C ATOM 373 CG GLU A 24 -5.976 -10.862 -4.590 1.00 0.00 C ATOM 374 CD GLU A 24 -4.533 -11.325 -4.534 1.00 0.00 C ATOM 375 OE1 GLU A 24 -4.259 -12.469 -4.952 1.00 0.00 O ATOM 376 OE2 GLU A 24 -3.675 -10.541 -4.072 1.00 0.00 O ATOM 0 H GLU A 24 -7.767 -11.474 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.955 -10.825 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.394 -9.685 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.810 -8.949 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.634 -11.729 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.163 -10.383 -5.551 1.00 0.00 H new ATOM 383 N PHE A 25 -4.851 -9.011 -0.437 1.00 0.00 N ATOM 384 CA PHE A 25 -4.751 -7.938 0.541 1.00 0.00 C ATOM 385 C PHE A 25 -3.850 -6.818 0.034 1.00 0.00 C ATOM 386 O PHE A 25 -2.758 -7.064 -0.477 1.00 0.00 O ATOM 387 CB PHE A 25 -4.221 -8.473 1.871 1.00 0.00 C ATOM 388 CG PHE A 25 -5.308 -8.856 2.835 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.951 -10.077 2.719 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.690 -7.994 3.854 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.953 -10.436 3.598 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.692 -8.349 4.738 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.324 -9.572 4.609 1.00 0.00 C ATOM 0 H PHE A 25 -3.990 -9.540 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.751 -7.532 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.592 -9.342 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.587 -7.716 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.665 -10.757 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.200 -7.037 3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.446 -11.391 3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.981 -7.672 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.107 -9.851 5.298 1.00 0.00 H new ATOM 403 N TYR A 26 -4.318 -5.586 0.185 1.00 0.00 N ATOM 404 CA TYR A 26 -3.565 -4.419 -0.244 1.00 0.00 C ATOM 405 C TYR A 26 -3.387 -3.446 0.912 1.00 0.00 C ATOM 406 O TYR A 26 -4.047 -3.564 1.943 1.00 0.00 O ATOM 407 CB TYR A 26 -4.269 -3.716 -1.402 1.00 0.00 C ATOM 408 CG TYR A 26 -4.335 -4.542 -2.666 1.00 0.00 C ATOM 409 CD1 TYR A 26 -3.419 -4.346 -3.690 1.00 0.00 C ATOM 410 CD2 TYR A 26 -5.313 -5.515 -2.837 1.00 0.00 C ATOM 411 CE1 TYR A 26 -3.471 -5.094 -4.849 1.00 0.00 C ATOM 412 CE2 TYR A 26 -5.372 -6.269 -3.994 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.449 -6.055 -4.997 1.00 0.00 C ATOM 414 OH TYR A 26 -4.505 -6.803 -6.150 1.00 0.00 O ATOM 0 H TYR A 26 -5.222 -5.370 0.605 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.585 -4.757 -0.581 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.282 -3.456 -1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.751 -2.781 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.651 -3.595 -3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.038 -5.684 -2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.750 -4.928 -5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.137 -7.022 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.251 -7.436 -6.094 1.00 0.00 H new ATOM 424 N MET A 27 -2.496 -2.486 0.728 1.00 0.00 N ATOM 425 CA MET A 27 -2.225 -1.483 1.750 1.00 0.00 C ATOM 426 C MET A 27 -2.243 -0.087 1.144 1.00 0.00 C ATOM 427 O MET A 27 -1.833 0.101 -0.003 1.00 0.00 O ATOM 428 CB MET A 27 -0.866 -1.745 2.405 1.00 0.00 C ATOM 429 CG MET A 27 -0.948 -2.611 3.650 1.00 0.00 C ATOM 430 SD MET A 27 -0.397 -4.304 3.358 1.00 0.00 S ATOM 431 CE MET A 27 1.069 -4.363 4.384 1.00 0.00 C ATOM 0 H MET A 27 -1.944 -2.378 -0.123 1.00 0.00 H new ATOM 0 HA MET A 27 -3.005 -1.548 2.509 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.210 -2.227 1.680 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.408 -0.791 2.666 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.340 -2.166 4.438 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.976 -2.625 4.011 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.829 -4.975 3.898 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.453 -3.353 4.528 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.818 -4.797 5.352 1.00 0.00 H new ATOM 441 N ILE A 28 -2.713 0.893 1.911 1.00 0.00 N ATOM 442 CA ILE A 28 -2.763 2.264 1.414 1.00 0.00 C ATOM 443 C ILE A 28 -1.369 2.889 1.410 1.00 0.00 C ATOM 444 O ILE A 28 -0.702 2.961 2.446 1.00 0.00 O ATOM 445 CB ILE A 28 -3.722 3.148 2.233 1.00 0.00 C ATOM 446 CG1 ILE A 28 -5.052 2.425 2.456 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.956 4.466 1.511 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.085 3.263 3.180 1.00 0.00 C ATOM 0 H ILE A 28 -3.059 0.767 2.862 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.143 2.213 0.394 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.270 3.351 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.456 2.120 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.870 1.515 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.635 5.086 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.006 4.986 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.394 4.272 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.001 2.685 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.701 3.547 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.297 4.161 2.599 1.00 0.00 H new ATOM 460 N GLY A 29 -0.931 3.327 0.231 1.00 0.00 N ATOM 461 CA GLY A 29 0.389 3.919 0.096 1.00 0.00 C ATOM 462 C GLY A 29 0.619 5.075 1.044 1.00 0.00 C ATOM 463 O GLY A 29 1.755 5.346 1.434 1.00 0.00 O ATOM 0 H GLY A 29 -1.469 3.282 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.144 3.154 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.523 4.265 -0.929 1.00 0.00 H new ATOM 467 N SER A 30 -0.452 5.753 1.432 1.00 0.00 N ATOM 468 CA SER A 30 -0.340 6.871 2.357 1.00 0.00 C ATOM 469 C SER A 30 0.201 6.385 3.697 1.00 0.00 C ATOM 470 O SER A 30 1.067 7.022 4.306 1.00 0.00 O ATOM 471 CB SER A 30 -1.700 7.547 2.548 1.00 0.00 C ATOM 472 OG SER A 30 -1.742 8.802 1.891 1.00 0.00 O ATOM 0 H SER A 30 -1.403 5.550 1.123 1.00 0.00 H new ATOM 0 HA SER A 30 0.352 7.602 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.488 6.902 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.896 7.683 3.612 1.00 0.00 H new ATOM 0 HG SER A 30 -2.621 9.213 2.026 1.00 0.00 H new ATOM 478 N GLU A 31 -0.307 5.237 4.143 1.00 0.00 N ATOM 479 CA GLU A 31 0.131 4.655 5.402 1.00 0.00 C ATOM 480 C GLU A 31 1.549 4.124 5.269 1.00 0.00 C ATOM 481 O GLU A 31 2.387 4.329 6.145 1.00 0.00 O ATOM 482 CB GLU A 31 -0.816 3.535 5.833 1.00 0.00 C ATOM 483 CG GLU A 31 -2.122 4.042 6.421 1.00 0.00 C ATOM 484 CD GLU A 31 -2.177 3.902 7.930 1.00 0.00 C ATOM 485 OE1 GLU A 31 -1.990 2.772 8.429 1.00 0.00 O ATOM 486 OE2 GLU A 31 -2.406 4.922 8.613 1.00 0.00 O ATOM 0 H GLU A 31 -1.019 4.697 3.651 1.00 0.00 H new ATOM 0 HA GLU A 31 0.117 5.432 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.035 2.903 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.314 2.908 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.254 5.090 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.953 3.492 5.979 1.00 0.00 H new ATOM 493 N VAL A 32 1.812 3.454 4.154 1.00 0.00 N ATOM 494 CA VAL A 32 3.133 2.906 3.891 1.00 0.00 C ATOM 495 C VAL A 32 4.169 4.020 3.825 1.00 0.00 C ATOM 496 O VAL A 32 5.281 3.883 4.335 1.00 0.00 O ATOM 497 CB VAL A 32 3.164 2.110 2.573 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.495 1.393 2.412 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.007 1.123 2.518 1.00 0.00 C ATOM 0 H VAL A 32 1.127 3.278 3.419 1.00 0.00 H new ATOM 0 HA VAL A 32 3.371 2.230 4.712 1.00 0.00 H new ATOM 0 HB VAL A 32 3.054 2.810 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.497 0.836 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.303 2.124 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.640 0.704 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.045 0.570 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.083 0.427 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.063 1.665 2.582 1.00 0.00 H new ATOM 509 N GLY A 33 3.790 5.126 3.194 1.00 0.00 N ATOM 510 CA GLY A 33 4.693 6.254 3.071 1.00 0.00 C ATOM 511 C GLY A 33 5.055 6.852 4.416 1.00 0.00 C ATOM 512 O GLY A 33 6.233 7.032 4.722 1.00 0.00 O ATOM 0 H GLY A 33 2.874 5.261 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.602 5.935 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.231 7.020 2.448 1.00 0.00 H new ATOM 516 N ASN A 34 4.048 7.148 5.233 1.00 0.00 N ATOM 517 CA ASN A 34 4.303 7.714 6.551 1.00 0.00 C ATOM 518 C ASN A 34 5.011 6.695 7.439 1.00 0.00 C ATOM 519 O ASN A 34 5.834 7.052 8.282 1.00 0.00 O ATOM 520 CB ASN A 34 3.007 8.213 7.206 1.00 0.00 C ATOM 521 CG ASN A 34 2.051 7.097 7.593 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.461 6.051 8.093 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.762 7.326 7.373 1.00 0.00 N ATOM 0 H ASN A 34 3.063 7.008 5.009 1.00 0.00 H new ATOM 0 HA ASN A 34 4.958 8.577 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.259 8.789 8.096 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.501 8.892 6.519 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.069 6.620 7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.465 8.208 6.956 1.00 0.00 H new ATOM 530 N TYR A 35 4.689 5.422 7.233 1.00 0.00 N ATOM 531 CA TYR A 35 5.291 4.337 8.000 1.00 0.00 C ATOM 532 C TYR A 35 6.801 4.302 7.794 1.00 0.00 C ATOM 533 O TYR A 35 7.564 4.131 8.745 1.00 0.00 O ATOM 534 CB TYR A 35 4.674 3.006 7.569 1.00 0.00 C ATOM 535 CG TYR A 35 4.963 1.868 8.512 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.206 0.587 8.035 1.00 0.00 C ATOM 537 CD2 TYR A 35 4.989 2.074 9.881 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.468 -0.454 8.901 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.252 1.041 10.752 1.00 0.00 C ATOM 540 CZ TYR A 35 5.491 -0.223 10.260 1.00 0.00 C ATOM 541 OH TYR A 35 5.752 -1.259 11.127 1.00 0.00 O ATOM 0 H TYR A 35 4.010 5.115 6.537 1.00 0.00 H new ATOM 0 HA TYR A 35 5.095 4.505 9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.594 3.128 7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.047 2.748 6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.190 0.403 6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.800 3.063 10.272 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.654 -1.446 8.516 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.271 1.221 11.817 1.00 0.00 H new ATOM 0 HH TYR A 35 5.732 -0.927 12.049 1.00 0.00 H new ATOM 551 N LEU A 36 7.224 4.475 6.550 1.00 0.00 N ATOM 552 CA LEU A 36 8.644 4.477 6.219 1.00 0.00 C ATOM 553 C LEU A 36 9.201 5.901 6.190 1.00 0.00 C ATOM 554 O LEU A 36 10.401 6.104 6.005 1.00 0.00 O ATOM 555 CB LEU A 36 8.883 3.794 4.871 1.00 0.00 C ATOM 556 CG LEU A 36 8.467 2.321 4.808 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.320 2.124 3.827 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.654 1.446 4.430 1.00 0.00 C ATOM 0 H LEU A 36 6.605 4.616 5.752 1.00 0.00 H new ATOM 0 HA LEU A 36 9.167 3.919 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.340 4.342 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.943 3.867 4.627 1.00 0.00 H new ATOM 0 HG LEU A 36 8.121 2.022 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.042 1.070 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.463 2.717 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.633 2.443 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.339 0.403 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.033 1.748 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.441 1.559 5.175 1.00 0.00 H new ATOM 570 N ARG A 37 8.321 6.885 6.377 1.00 0.00 N ATOM 571 CA ARG A 37 8.719 8.290 6.377 1.00 0.00 C ATOM 572 C ARG A 37 9.151 8.749 4.989 1.00 0.00 C ATOM 573 O ARG A 37 9.994 9.635 4.854 1.00 0.00 O ATOM 574 CB ARG A 37 9.853 8.526 7.377 1.00 0.00 C ATOM 575 CG ARG A 37 9.962 9.969 7.844 1.00 0.00 C ATOM 576 CD ARG A 37 10.713 10.072 9.163 1.00 0.00 C ATOM 577 NE ARG A 37 9.845 9.809 10.308 1.00 0.00 N ATOM 578 CZ ARG A 37 10.133 10.170 11.557 1.00 0.00 C ATOM 579 NH1 ARG A 37 11.267 10.808 11.825 1.00 0.00 N ATOM 580 NH2 ARG A 37 9.288 9.893 12.540 1.00 0.00 N ATOM 0 H ARG A 37 7.324 6.732 6.531 1.00 0.00 H new ATOM 0 HA ARG A 37 7.849 8.876 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.702 7.883 8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.797 8.228 6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.474 10.561 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.964 10.392 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.541 9.363 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.146 11.068 9.257 1.00 0.00 H new ATOM 0 HE ARG A 37 8.966 9.320 10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.921 11.023 11.073 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.483 11.083 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.416 9.403 12.340 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.510 10.170 13.496 1.00 0.00 H new ATOM 594 N MET A 38 8.555 8.158 3.960 1.00 0.00 N ATOM 595 CA MET A 38 8.870 8.530 2.586 1.00 0.00 C ATOM 596 C MET A 38 7.782 9.443 2.032 1.00 0.00 C ATOM 597 O MET A 38 6.598 9.108 2.072 1.00 0.00 O ATOM 598 CB MET A 38 9.004 7.281 1.712 1.00 0.00 C ATOM 599 CG MET A 38 10.194 6.409 2.076 1.00 0.00 C ATOM 600 SD MET A 38 11.707 6.913 1.235 1.00 0.00 S ATOM 601 CE MET A 38 12.261 5.346 0.565 1.00 0.00 C ATOM 0 H MET A 38 7.854 7.423 4.050 1.00 0.00 H new ATOM 0 HA MET A 38 9.821 9.063 2.577 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.092 6.690 1.795 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.093 7.585 0.669 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.352 6.448 3.154 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.971 5.372 1.824 1.00 0.00 H new ATOM 0 HE1 MET A 38 13.190 5.494 0.015 1.00 0.00 H new ATOM 0 HE2 MET A 38 12.429 4.641 1.379 1.00 0.00 H new ATOM 0 HE3 MET A 38 11.501 4.949 -0.107 1.00 0.00 H new ATOM 611 N PHE A 39 8.187 10.602 1.526 1.00 0.00 N ATOM 612 CA PHE A 39 7.239 11.566 0.978 1.00 0.00 C ATOM 613 C PHE A 39 7.625 11.973 -0.439 1.00 0.00 C ATOM 614 O PHE A 39 8.673 11.575 -0.948 1.00 0.00 O ATOM 615 CB PHE A 39 7.160 12.797 1.884 1.00 0.00 C ATOM 616 CG PHE A 39 7.227 12.465 3.349 1.00 0.00 C ATOM 617 CD1 PHE A 39 8.433 12.526 4.032 1.00 0.00 C ATOM 618 CD2 PHE A 39 6.088 12.084 4.042 1.00 0.00 C ATOM 619 CE1 PHE A 39 8.500 12.212 5.377 1.00 0.00 C ATOM 620 CE2 PHE A 39 6.150 11.771 5.387 1.00 0.00 C ATOM 621 CZ PHE A 39 7.358 11.835 6.055 1.00 0.00 C ATOM 0 H PHE A 39 9.163 10.897 1.484 1.00 0.00 H new ATOM 0 HA PHE A 39 6.258 11.093 0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.976 13.475 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.230 13.329 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.329 12.822 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.141 12.031 3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.445 12.262 5.897 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.255 11.477 5.915 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.409 11.590 7.106 1.00 0.00 H new ATOM 631 N ARG A 40 6.772 12.772 -1.074 1.00 0.00 N ATOM 632 CA ARG A 40 7.023 13.237 -2.433 1.00 0.00 C ATOM 633 C ARG A 40 7.191 12.058 -3.387 1.00 0.00 C ATOM 634 O ARG A 40 8.097 12.043 -4.220 1.00 0.00 O ATOM 635 CB ARG A 40 8.271 14.121 -2.470 1.00 0.00 C ATOM 636 CG ARG A 40 8.083 15.469 -1.793 1.00 0.00 C ATOM 637 CD ARG A 40 9.384 16.253 -1.741 1.00 0.00 C ATOM 638 NE ARG A 40 9.159 17.670 -1.469 1.00 0.00 N ATOM 639 CZ ARG A 40 8.584 18.508 -2.329 1.00 0.00 C ATOM 640 NH1 ARG A 40 8.174 18.075 -3.515 1.00 0.00 N ATOM 641 NH2 ARG A 40 8.418 19.783 -2.002 1.00 0.00 N ATOM 0 H ARG A 40 5.900 13.111 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 40 6.163 13.823 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.094 13.593 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.561 14.283 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.331 16.046 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.706 15.320 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.029 15.834 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.910 16.145 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 40 9.460 18.039 -0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.299 17.096 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.734 18.722 -4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.731 20.121 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.978 20.425 -2.661 1.00 0.00 H new ATOM 655 N GLY A 41 6.313 11.069 -3.256 1.00 0.00 N ATOM 656 CA GLY A 41 6.385 9.897 -4.108 1.00 0.00 C ATOM 657 C GLY A 41 7.708 9.168 -3.981 1.00 0.00 C ATOM 658 O GLY A 41 8.082 8.390 -4.858 1.00 0.00 O ATOM 0 H GLY A 41 5.553 11.058 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.573 9.216 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.237 10.196 -5.146 1.00 0.00 H new ATOM 662 N SER A 42 8.420 9.419 -2.884 1.00 0.00 N ATOM 663 CA SER A 42 9.709 8.781 -2.644 1.00 0.00 C ATOM 664 C SER A 42 9.575 7.262 -2.654 1.00 0.00 C ATOM 665 O SER A 42 10.486 6.551 -3.080 1.00 0.00 O ATOM 666 CB SER A 42 10.289 9.244 -1.306 1.00 0.00 C ATOM 667 OG SER A 42 10.996 10.464 -1.451 1.00 0.00 O ATOM 0 H SER A 42 8.124 10.060 -2.148 1.00 0.00 H new ATOM 0 HA SER A 42 10.386 9.073 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.484 9.370 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.956 8.478 -0.911 1.00 0.00 H new ATOM 0 HG SER A 42 10.397 11.214 -1.255 1.00 0.00 H new ATOM 673 N LEU A 43 8.436 6.771 -2.181 1.00 0.00 N ATOM 674 CA LEU A 43 8.184 5.336 -2.136 1.00 0.00 C ATOM 675 C LEU A 43 8.121 4.749 -3.542 1.00 0.00 C ATOM 676 O LEU A 43 8.803 3.774 -3.848 1.00 0.00 O ATOM 677 CB LEU A 43 6.879 5.049 -1.392 1.00 0.00 C ATOM 678 CG LEU A 43 6.866 3.746 -0.587 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.169 4.019 0.880 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.525 3.040 -0.735 1.00 0.00 C ATOM 0 H LEU A 43 7.673 7.345 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 43 9.010 4.865 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.674 5.879 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.065 5.019 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 43 7.644 3.092 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.155 3.081 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.153 4.479 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.416 4.693 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.534 2.116 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.730 3.689 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.350 2.808 -1.786 1.00 0.00 H new ATOM 692 N TYR A 44 7.295 5.349 -4.393 1.00 0.00 N ATOM 693 CA TYR A 44 7.141 4.882 -5.766 1.00 0.00 C ATOM 694 C TYR A 44 8.407 5.135 -6.579 1.00 0.00 C ATOM 695 O TYR A 44 8.801 4.310 -7.403 1.00 0.00 O ATOM 696 CB TYR A 44 5.946 5.570 -6.427 1.00 0.00 C ATOM 697 CG TYR A 44 4.641 5.337 -5.702 1.00 0.00 C ATOM 698 CD1 TYR A 44 4.293 4.069 -5.252 1.00 0.00 C ATOM 699 CD2 TYR A 44 3.758 6.383 -5.464 1.00 0.00 C ATOM 700 CE1 TYR A 44 3.101 3.850 -4.587 1.00 0.00 C ATOM 701 CE2 TYR A 44 2.565 6.172 -4.798 1.00 0.00 C ATOM 702 CZ TYR A 44 2.241 4.904 -4.363 1.00 0.00 C ATOM 703 OH TYR A 44 1.054 4.691 -3.701 1.00 0.00 O ATOM 0 H TYR A 44 6.722 6.159 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 44 6.964 3.807 -5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.137 6.642 -6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.852 5.212 -7.452 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.965 3.241 -5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.008 7.377 -5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.845 2.858 -4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.890 6.996 -4.619 1.00 0.00 H new ATOM 0 HH TYR A 44 0.681 5.550 -3.414 1.00 0.00 H new ATOM 713 N LYS A 45 9.041 6.279 -6.343 1.00 0.00 N ATOM 714 CA LYS A 45 10.262 6.635 -7.055 1.00 0.00 C ATOM 715 C LYS A 45 11.421 5.740 -6.627 1.00 0.00 C ATOM 716 O LYS A 45 12.298 5.418 -7.426 1.00 0.00 O ATOM 717 CB LYS A 45 10.613 8.106 -6.807 1.00 0.00 C ATOM 718 CG LYS A 45 10.732 8.925 -8.083 1.00 0.00 C ATOM 719 CD LYS A 45 10.008 10.258 -7.963 1.00 0.00 C ATOM 720 CE LYS A 45 10.980 11.401 -7.715 1.00 0.00 C ATOM 721 NZ LYS A 45 11.221 12.201 -8.948 1.00 0.00 N ATOM 0 H LYS A 45 8.730 6.974 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 45 10.089 6.487 -8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.849 8.551 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.555 8.159 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.784 9.101 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.319 8.360 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.444 10.450 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.287 10.209 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.586 12.049 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.926 11.001 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.889 12.970 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.621 11.588 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.322 12.604 -9.281 1.00 0.00 H new ATOM 735 N ARG A 46 11.415 5.343 -5.358 1.00 0.00 N ATOM 736 CA ARG A 46 12.465 4.484 -4.822 1.00 0.00 C ATOM 737 C ARG A 46 12.120 3.007 -5.005 1.00 0.00 C ATOM 738 O ARG A 46 12.994 2.144 -4.922 1.00 0.00 O ATOM 739 CB ARG A 46 12.688 4.785 -3.339 1.00 0.00 C ATOM 740 CG ARG A 46 13.960 4.168 -2.777 1.00 0.00 C ATOM 741 CD ARG A 46 15.068 5.199 -2.640 1.00 0.00 C ATOM 742 NE ARG A 46 15.548 5.663 -3.940 1.00 0.00 N ATOM 743 CZ ARG A 46 16.263 6.772 -4.113 1.00 0.00 C ATOM 744 NH1 ARG A 46 16.583 7.533 -3.073 1.00 0.00 N ATOM 745 NH2 ARG A 46 16.660 7.121 -5.329 1.00 0.00 N ATOM 0 H ARG A 46 10.696 5.602 -4.683 1.00 0.00 H new ATOM 0 HA ARG A 46 13.381 4.691 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.725 5.865 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.834 4.418 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.751 3.726 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.292 3.360 -3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.703 6.049 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.898 4.767 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 46 15.322 5.104 -4.763 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.281 7.269 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.131 8.382 -3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.417 6.540 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.208 7.971 -5.462 1.00 0.00 H new ATOM 759 N TYR A 47 10.845 2.721 -5.254 1.00 0.00 N ATOM 760 CA TYR A 47 10.393 1.346 -5.445 1.00 0.00 C ATOM 761 C TYR A 47 9.532 1.222 -6.702 1.00 0.00 C ATOM 762 O TYR A 47 8.323 1.003 -6.617 1.00 0.00 O ATOM 763 CB TYR A 47 9.602 0.877 -4.224 1.00 0.00 C ATOM 764 CG TYR A 47 10.439 0.712 -2.977 1.00 0.00 C ATOM 765 CD1 TYR A 47 10.977 -0.522 -2.649 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.687 1.782 -2.128 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.738 -0.693 -1.513 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.451 1.624 -0.986 1.00 0.00 C ATOM 769 CZ TYR A 47 11.974 0.385 -0.682 1.00 0.00 C ATOM 770 OH TYR A 47 12.733 0.223 0.456 1.00 0.00 O ATOM 0 H TYR A 47 10.108 3.422 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 47 11.273 0.714 -5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.805 1.593 -4.023 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.124 -0.074 -4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.796 -1.367 -3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.277 2.753 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.147 -1.663 -1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.637 2.466 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 47 12.640 -0.696 0.783 1.00 0.00 H new ATOM 780 N PRO A 48 10.142 1.366 -7.892 1.00 0.00 N ATOM 781 CA PRO A 48 9.422 1.275 -9.166 1.00 0.00 C ATOM 782 C PRO A 48 8.798 -0.099 -9.396 1.00 0.00 C ATOM 783 O PRO A 48 7.748 -0.213 -10.028 1.00 0.00 O ATOM 784 CB PRO A 48 10.502 1.551 -10.221 1.00 0.00 C ATOM 785 CG PRO A 48 11.622 2.196 -9.479 1.00 0.00 C ATOM 786 CD PRO A 48 11.575 1.634 -8.089 1.00 0.00 C ATOM 0 HA PRO A 48 8.587 1.975 -9.199 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.828 0.628 -10.701 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.125 2.203 -11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.579 1.982 -9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.508 3.280 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.172 0.726 -8.000 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.959 2.341 -7.354 1.00 0.00 H new ATOM 794 N SER A 49 9.448 -1.143 -8.886 1.00 0.00 N ATOM 795 CA SER A 49 8.943 -2.505 -9.048 1.00 0.00 C ATOM 796 C SER A 49 7.758 -2.775 -8.119 1.00 0.00 C ATOM 797 O SER A 49 7.146 -3.842 -8.179 1.00 0.00 O ATOM 798 CB SER A 49 10.063 -3.517 -8.787 1.00 0.00 C ATOM 799 OG SER A 49 9.568 -4.687 -8.156 1.00 0.00 O ATOM 0 H SER A 49 10.319 -1.073 -8.361 1.00 0.00 H new ATOM 0 HA SER A 49 8.594 -2.614 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.540 -3.785 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.829 -3.060 -8.160 1.00 0.00 H new ATOM 0 HG SER A 49 8.619 -4.799 -8.374 1.00 0.00 H new ATOM 805 N LEU A 50 7.440 -1.812 -7.259 1.00 0.00 N ATOM 806 CA LEU A 50 6.332 -1.958 -6.322 1.00 0.00 C ATOM 807 C LEU A 50 4.990 -1.754 -7.022 1.00 0.00 C ATOM 808 O LEU A 50 4.820 -0.818 -7.802 1.00 0.00 O ATOM 809 CB LEU A 50 6.487 -0.954 -5.180 1.00 0.00 C ATOM 810 CG LEU A 50 6.098 -1.470 -3.795 1.00 0.00 C ATOM 811 CD1 LEU A 50 7.117 -2.483 -3.300 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.981 -0.313 -2.816 1.00 0.00 C ATOM 0 H LEU A 50 7.934 -0.922 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 50 6.352 -2.971 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.525 -0.624 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.881 -0.077 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 50 5.129 -1.964 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.825 -2.840 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.160 -3.324 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.098 -2.012 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.703 -0.694 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.938 0.204 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.217 0.382 -3.164 1.00 0.00 H new ATOM 824 N TRP A 51 4.040 -2.640 -6.733 1.00 0.00 N ATOM 825 CA TRP A 51 2.711 -2.564 -7.331 1.00 0.00 C ATOM 826 C TRP A 51 1.884 -1.455 -6.684 1.00 0.00 C ATOM 827 O TRP A 51 1.638 -1.476 -5.479 1.00 0.00 O ATOM 828 CB TRP A 51 1.986 -3.904 -7.175 1.00 0.00 C ATOM 829 CG TRP A 51 0.612 -3.918 -7.777 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.251 -4.405 -9.000 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.587 -3.422 -7.175 1.00 0.00 C ATOM 832 NE1 TRP A 51 -1.100 -4.237 -9.195 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.635 -3.637 -8.086 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.874 -2.818 -5.951 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.948 -3.268 -7.810 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.175 -2.450 -5.677 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.197 -2.677 -6.602 1.00 0.00 C ATOM 0 H TRP A 51 4.167 -3.420 -6.088 1.00 0.00 H new ATOM 0 HA TRP A 51 2.829 -2.336 -8.390 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.585 -4.688 -7.639 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.911 -4.146 -6.115 1.00 0.00 H new ATOM 0 HD1 TRP A 51 0.927 -4.856 -9.711 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.618 -4.514 -10.029 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.090 -2.641 -5.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.741 -3.442 -8.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.407 -1.979 -4.733 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.206 -2.379 -6.358 1.00 0.00 H new ATOM 848 N ARG A 52 1.456 -0.490 -7.491 1.00 0.00 N ATOM 849 CA ARG A 52 0.648 0.619 -6.994 1.00 0.00 C ATOM 850 C ARG A 52 -0.461 0.968 -7.982 1.00 0.00 C ATOM 851 O ARG A 52 -0.236 0.997 -9.191 1.00 0.00 O ATOM 852 CB ARG A 52 1.528 1.846 -6.742 1.00 0.00 C ATOM 853 CG ARG A 52 2.556 2.097 -7.835 1.00 0.00 C ATOM 854 CD ARG A 52 2.337 3.439 -8.518 1.00 0.00 C ATOM 855 NE ARG A 52 2.582 3.368 -9.956 1.00 0.00 N ATOM 856 CZ ARG A 52 2.818 4.431 -10.722 1.00 0.00 C ATOM 857 NH1 ARG A 52 2.841 5.647 -10.191 1.00 0.00 N ATOM 858 NH2 ARG A 52 3.033 4.276 -12.021 1.00 0.00 N ATOM 0 H ARG A 52 1.655 -0.453 -8.491 1.00 0.00 H new ATOM 0 HA ARG A 52 0.190 0.311 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.891 2.725 -6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.045 1.722 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.558 2.066 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.502 1.299 -8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.315 3.773 -8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.998 4.184 -8.074 1.00 0.00 H new ATOM 0 HE ARG A 52 2.572 2.450 -10.400 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.677 5.770 -9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.022 6.458 -10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.017 3.343 -12.433 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.214 5.090 -12.609 1.00 0.00 H new ATOM 872 N ARG A 53 -1.658 1.242 -7.467 1.00 0.00 N ATOM 873 CA ARG A 53 -2.783 1.600 -8.326 1.00 0.00 C ATOM 874 C ARG A 53 -3.809 2.455 -7.579 1.00 0.00 C ATOM 875 O ARG A 53 -3.864 2.444 -6.350 1.00 0.00 O ATOM 876 CB ARG A 53 -3.432 0.338 -8.919 1.00 0.00 C ATOM 877 CG ARG A 53 -4.578 -0.241 -8.102 1.00 0.00 C ATOM 878 CD ARG A 53 -5.913 -0.083 -8.807 1.00 0.00 C ATOM 879 NE ARG A 53 -6.554 -1.373 -9.054 1.00 0.00 N ATOM 880 CZ ARG A 53 -6.326 -2.123 -10.131 1.00 0.00 C ATOM 881 NH1 ARG A 53 -5.463 -1.725 -11.058 1.00 0.00 N ATOM 882 NH2 ARG A 53 -6.961 -3.278 -10.279 1.00 0.00 N ATOM 0 H ARG A 53 -1.872 1.223 -6.470 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.400 2.204 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.800 0.572 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.664 -0.427 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.391 -1.298 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.619 0.255 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.572 0.540 -8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.764 0.436 -9.754 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.216 -1.720 -8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.969 -0.839 -10.948 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.294 -2.305 -11.880 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.623 -3.591 -9.569 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.788 -3.853 -11.103 1.00 0.00 H new ATOM 896 N LEU A 54 -4.613 3.202 -8.335 1.00 0.00 N ATOM 897 CA LEU A 54 -5.632 4.071 -7.751 1.00 0.00 C ATOM 898 C LEU A 54 -6.923 3.303 -7.483 1.00 0.00 C ATOM 899 O LEU A 54 -7.371 2.513 -8.313 1.00 0.00 O ATOM 900 CB LEU A 54 -5.913 5.254 -8.679 1.00 0.00 C ATOM 901 CG LEU A 54 -4.996 6.461 -8.485 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.210 6.751 -9.754 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.798 7.683 -8.060 1.00 0.00 C ATOM 0 H LEU A 54 -4.578 3.222 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.251 4.443 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.828 4.914 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.945 5.574 -8.533 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.287 6.224 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.564 7.614 -9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.601 5.884 -10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.901 6.963 -10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.126 8.531 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.534 7.920 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.309 7.474 -7.120 1.00 0.00 H new ATOM 915 N ALA A 55 -7.517 3.541 -6.317 1.00 0.00 N ATOM 916 CA ALA A 55 -8.753 2.867 -5.935 1.00 0.00 C ATOM 917 C ALA A 55 -9.985 3.607 -6.448 1.00 0.00 C ATOM 918 O ALA A 55 -10.097 4.825 -6.311 1.00 0.00 O ATOM 919 CB ALA A 55 -8.826 2.718 -4.422 1.00 0.00 C ATOM 0 H ALA A 55 -7.162 4.196 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.744 1.879 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.753 2.213 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.977 2.130 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.800 3.704 -3.958 1.00 0.00 H new ATOM 925 N THR A 56 -10.913 2.850 -7.024 1.00 0.00 N ATOM 926 CA THR A 56 -12.156 3.409 -7.548 1.00 0.00 C ATOM 927 C THR A 56 -13.081 3.810 -6.405 1.00 0.00 C ATOM 928 O THR A 56 -12.814 3.498 -5.246 1.00 0.00 O ATOM 929 CB THR A 56 -12.862 2.386 -8.437 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.528 1.415 -7.645 1.00 0.00 O ATOM 931 CG2 THR A 56 -11.926 1.654 -9.374 1.00 0.00 C ATOM 0 H THR A 56 -10.827 1.840 -7.141 1.00 0.00 H new ATOM 0 HA THR A 56 -11.912 4.292 -8.138 1.00 0.00 H new ATOM 0 HB THR A 56 -13.567 2.961 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.976 0.768 -8.229 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.494 0.944 -9.975 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.433 2.372 -10.030 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.175 1.118 -8.793 1.00 0.00 H new ATOM 939 N VAL A 57 -14.175 4.493 -6.733 1.00 0.00 N ATOM 940 CA VAL A 57 -15.136 4.915 -5.720 1.00 0.00 C ATOM 941 C VAL A 57 -15.592 3.720 -4.887 1.00 0.00 C ATOM 942 O VAL A 57 -15.570 3.757 -3.654 1.00 0.00 O ATOM 943 CB VAL A 57 -16.369 5.585 -6.356 1.00 0.00 C ATOM 944 CG1 VAL A 57 -17.275 6.168 -5.284 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.942 6.659 -7.346 1.00 0.00 C ATOM 0 H VAL A 57 -14.416 4.764 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.634 5.641 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.932 4.825 -6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -18.140 6.637 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.610 5.372 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.726 6.914 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.826 7.121 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.355 7.418 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.339 6.208 -8.134 1.00 0.00 H new ATOM 955 N GLU A 58 -15.983 2.649 -5.567 1.00 0.00 N ATOM 956 CA GLU A 58 -16.419 1.439 -4.886 1.00 0.00 C ATOM 957 C GLU A 58 -15.270 0.867 -4.066 1.00 0.00 C ATOM 958 O GLU A 58 -15.458 0.423 -2.931 1.00 0.00 O ATOM 959 CB GLU A 58 -16.913 0.402 -5.897 1.00 0.00 C ATOM 960 CG GLU A 58 -18.416 0.440 -6.121 1.00 0.00 C ATOM 961 CD GLU A 58 -18.949 -0.850 -6.712 1.00 0.00 C ATOM 962 OE1 GLU A 58 -19.640 -1.596 -5.986 1.00 0.00 O ATOM 963 OE2 GLU A 58 -18.678 -1.116 -7.902 1.00 0.00 O ATOM 0 H GLU A 58 -16.007 2.595 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.244 1.689 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.408 0.565 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -16.630 -0.593 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.916 0.635 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.660 1.268 -6.786 1.00 0.00 H new ATOM 970 N GLU A 59 -14.075 0.893 -4.648 1.00 0.00 N ATOM 971 CA GLU A 59 -12.888 0.390 -3.973 1.00 0.00 C ATOM 972 C GLU A 59 -12.643 1.152 -2.675 1.00 0.00 C ATOM 973 O GLU A 59 -12.366 0.551 -1.639 1.00 0.00 O ATOM 974 CB GLU A 59 -11.668 0.502 -4.889 1.00 0.00 C ATOM 975 CG GLU A 59 -11.301 -0.803 -5.575 1.00 0.00 C ATOM 976 CD GLU A 59 -10.895 -0.608 -7.022 1.00 0.00 C ATOM 977 OE1 GLU A 59 -9.926 0.139 -7.271 1.00 0.00 O ATOM 978 OE2 GLU A 59 -11.548 -1.201 -7.907 1.00 0.00 O ATOM 0 H GLU A 59 -13.905 1.257 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.051 -0.660 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.862 1.260 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.816 0.848 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.482 -1.276 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.150 -1.485 -5.529 1.00 0.00 H new ATOM 985 N ARG A 60 -12.752 2.479 -2.731 1.00 0.00 N ATOM 986 CA ARG A 60 -12.544 3.304 -1.547 1.00 0.00 C ATOM 987 C ARG A 60 -13.557 2.942 -0.468 1.00 0.00 C ATOM 988 O ARG A 60 -13.224 2.891 0.716 1.00 0.00 O ATOM 989 CB ARG A 60 -12.609 4.802 -1.894 1.00 0.00 C ATOM 990 CG ARG A 60 -14.017 5.379 -1.981 1.00 0.00 C ATOM 991 CD ARG A 60 -14.305 6.347 -0.842 1.00 0.00 C ATOM 992 NE ARG A 60 -15.284 5.805 0.098 1.00 0.00 N ATOM 993 CZ ARG A 60 -16.146 6.548 0.793 1.00 0.00 C ATOM 994 NH1 ARG A 60 -16.155 7.870 0.664 1.00 0.00 N ATOM 995 NH2 ARG A 60 -17.003 5.966 1.619 1.00 0.00 N ATOM 0 H ARG A 60 -12.981 3.000 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.545 3.104 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.049 5.359 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.107 4.961 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.140 5.893 -2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.744 4.567 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.379 6.571 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.675 7.288 -1.250 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.310 4.794 0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.499 8.325 0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.818 8.430 1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.003 4.951 1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.663 6.533 2.151 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.793 2.668 -0.883 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.835 2.285 0.061 1.00 0.00 C ATOM 1011 C LYS A 61 -15.401 1.039 0.823 1.00 0.00 C ATOM 1012 O LYS A 61 -15.472 0.991 2.051 1.00 0.00 O ATOM 1013 CB LYS A 61 -17.153 2.024 -0.671 1.00 0.00 C ATOM 1014 CG LYS A 61 -18.006 3.269 -0.850 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.884 3.170 -2.087 1.00 0.00 C ATOM 1016 CE LYS A 61 -20.045 4.149 -2.025 1.00 0.00 C ATOM 1017 NZ LYS A 61 -19.753 5.404 -2.770 1.00 0.00 N ATOM 0 H LYS A 61 -15.093 2.704 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.991 3.102 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.937 1.598 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.725 1.278 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.632 3.412 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.362 4.145 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.286 3.369 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.268 2.154 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.938 3.680 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.264 4.387 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.562 6.052 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -18.906 5.856 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.586 5.182 -3.772 1.00 0.00 H new ATOM 1031 N LYS A 62 -14.933 0.041 0.080 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.461 -1.201 0.677 1.00 0.00 C ATOM 1033 C LYS A 62 -13.181 -0.957 1.472 1.00 0.00 C ATOM 1034 O LYS A 62 -12.948 -1.585 2.503 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.214 -2.252 -0.407 1.00 0.00 C ATOM 1036 CG LYS A 62 -15.462 -2.617 -1.196 1.00 0.00 C ATOM 1037 CD LYS A 62 -15.145 -2.845 -2.666 1.00 0.00 C ATOM 1038 CE LYS A 62 -15.985 -3.970 -3.250 1.00 0.00 C ATOM 1039 NZ LYS A 62 -16.628 -3.575 -4.533 1.00 0.00 N ATOM 0 H LYS A 62 -14.871 0.069 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.229 -1.571 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.455 -1.881 -1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.811 -3.152 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.909 -3.518 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.200 -1.820 -1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.326 -1.927 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.087 -3.083 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.356 -4.845 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.753 -4.259 -2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.191 -4.369 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.248 -2.756 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.894 -3.324 -5.226 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.258 7.084 -3.558 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.691 6.084 -2.660 1.00 0.00 C ATOM 1431 C VAL A 88 -5.649 5.240 -3.386 1.00 0.00 C ATOM 1432 O VAL A 88 -5.954 4.576 -4.376 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.784 5.156 -2.086 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.188 4.163 -1.097 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.887 5.973 -1.429 1.00 0.00 C ATOM 0 HA VAL A 88 -6.219 6.620 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.219 4.591 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.977 3.520 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.439 3.552 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.721 4.705 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.648 5.302 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.466 6.567 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.338 6.636 -2.168 1.00 0.00 H new ATOM 1445 N THR A 89 -4.417 5.271 -2.890 1.00 0.00 N ATOM 1446 CA THR A 89 -3.330 4.508 -3.495 1.00 0.00 C ATOM 1447 C THR A 89 -3.206 3.135 -2.845 1.00 0.00 C ATOM 1448 O THR A 89 -2.919 3.026 -1.654 1.00 0.00 O ATOM 1449 CB THR A 89 -2.009 5.268 -3.370 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.793 5.686 -2.033 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.939 6.496 -4.253 1.00 0.00 C ATOM 0 H THR A 89 -4.146 5.816 -2.071 1.00 0.00 H new ATOM 0 HA THR A 89 -3.560 4.372 -4.552 1.00 0.00 H new ATOM 0 HB THR A 89 -1.241 4.565 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.124 4.999 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.976 6.988 -4.116 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.050 6.201 -5.296 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.740 7.184 -3.983 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.427 2.090 -3.635 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.342 0.723 -3.135 1.00 0.00 C ATOM 1461 C LEU A 90 -2.015 0.078 -3.512 1.00 0.00 C ATOM 1462 O LEU A 90 -1.451 0.363 -4.570 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.495 -0.117 -3.685 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.874 0.539 -3.593 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.180 1.309 -4.869 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.946 -0.507 -3.326 1.00 0.00 C ATOM 0 H LEU A 90 -3.666 2.163 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.409 0.764 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.289 -0.350 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.523 -1.064 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.869 1.242 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.164 1.770 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.427 2.084 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.168 0.626 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.920 -0.022 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.954 -1.235 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.733 -1.015 -2.385 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.529 -0.798 -2.639 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.272 -1.500 -2.869 1.00 0.00 C ATOM 1480 C LEU A 91 -0.423 -2.987 -2.555 1.00 0.00 C ATOM 1481 O LEU A 91 -1.310 -3.379 -1.797 1.00 0.00 O ATOM 1482 CB LEU A 91 0.830 -0.892 -2.005 1.00 0.00 C ATOM 1483 CG LEU A 91 1.657 0.202 -2.682 1.00 0.00 C ATOM 1484 CD1 LEU A 91 1.002 1.561 -2.490 1.00 0.00 C ATOM 1485 CD2 LEU A 91 3.075 0.209 -2.137 1.00 0.00 C ATOM 0 H LEU A 91 -1.989 -1.039 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.002 -1.394 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.377 -0.478 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.502 -1.689 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 91 1.701 -0.009 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.604 2.327 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.004 1.549 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.928 1.782 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.650 0.993 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.051 0.396 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.543 -0.757 -2.327 1.00 0.00 H new ATOM 1497 N LYS A 92 0.441 -3.814 -3.139 1.00 0.00 N ATOM 1498 CA LYS A 92 0.384 -5.255 -2.908 1.00 0.00 C ATOM 1499 C LYS A 92 0.888 -5.598 -1.508 1.00 0.00 C ATOM 1500 O LYS A 92 2.026 -5.287 -1.152 1.00 0.00 O ATOM 1501 CB LYS A 92 1.218 -5.992 -3.960 1.00 0.00 C ATOM 1502 CG LYS A 92 0.583 -6.004 -5.340 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.598 -6.957 -5.413 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.411 -7.999 -6.503 1.00 0.00 C ATOM 1505 NZ LYS A 92 0.018 -9.313 -5.951 1.00 0.00 N ATOM 0 H LYS A 92 1.183 -3.514 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.655 -5.574 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.201 -5.525 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.375 -7.020 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.253 -4.997 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.329 -6.293 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.724 -7.455 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.511 -6.392 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.346 -8.123 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.332 -7.646 -7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.134 -9.995 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.923 -9.201 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.703 -9.663 -5.288 1.00 0.00 H new ATOM 1519 N ALA A 93 0.032 -6.247 -0.720 1.00 0.00 N ATOM 1520 CA ALA A 93 0.381 -6.635 0.644 1.00 0.00 C ATOM 1521 C ALA A 93 1.718 -7.363 0.693 1.00 0.00 C ATOM 1522 O ALA A 93 2.542 -7.110 1.571 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.713 -7.506 1.240 1.00 0.00 C ATOM 0 H ALA A 93 -0.910 -6.515 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 93 0.475 -5.724 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.440 -7.788 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.651 -6.951 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.833 -8.404 0.634 1.00 0.00 H new ATOM 1529 N SER A 94 1.925 -8.270 -0.254 1.00 0.00 N ATOM 1530 CA SER A 94 3.161 -9.036 -0.315 1.00 0.00 C ATOM 1531 C SER A 94 4.367 -8.119 -0.492 1.00 0.00 C ATOM 1532 O SER A 94 5.432 -8.361 0.079 1.00 0.00 O ATOM 1533 CB SER A 94 3.101 -10.046 -1.463 1.00 0.00 C ATOM 1534 OG SER A 94 1.766 -10.438 -1.729 1.00 0.00 O ATOM 0 H SER A 94 1.253 -8.492 -0.989 1.00 0.00 H new ATOM 0 HA SER A 94 3.273 -9.571 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.540 -9.608 -2.360 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.697 -10.923 -1.211 1.00 0.00 H new ATOM 0 HG SER A 94 1.755 -11.082 -2.468 1.00 0.00 H new ATOM 1540 N GLU A 95 4.197 -7.065 -1.286 1.00 0.00 N ATOM 1541 CA GLU A 95 5.280 -6.121 -1.530 1.00 0.00 C ATOM 1542 C GLU A 95 5.607 -5.333 -0.267 1.00 0.00 C ATOM 1543 O GLU A 95 6.769 -5.235 0.135 1.00 0.00 O ATOM 1544 CB GLU A 95 4.909 -5.171 -2.670 1.00 0.00 C ATOM 1545 CG GLU A 95 5.471 -5.599 -4.016 1.00 0.00 C ATOM 1546 CD GLU A 95 4.394 -6.025 -4.994 1.00 0.00 C ATOM 1547 OE1 GLU A 95 3.951 -5.178 -5.795 1.00 0.00 O ATOM 1548 OE2 GLU A 95 3.994 -7.209 -4.958 1.00 0.00 O ATOM 0 H GLU A 95 3.325 -6.845 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 95 6.167 -6.685 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.823 -5.107 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.273 -4.171 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.040 -4.775 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.168 -6.424 -3.868 1.00 0.00 H new ATOM 1555 N VAL A 96 4.575 -4.785 0.364 1.00 0.00 N ATOM 1556 CA VAL A 96 4.756 -4.018 1.586 1.00 0.00 C ATOM 1557 C VAL A 96 5.333 -4.898 2.684 1.00 0.00 C ATOM 1558 O VAL A 96 6.329 -4.552 3.317 1.00 0.00 O ATOM 1559 CB VAL A 96 3.429 -3.406 2.074 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.675 -2.447 3.228 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.714 -2.703 0.930 1.00 0.00 C ATOM 0 H VAL A 96 3.608 -4.858 0.049 1.00 0.00 H new ATOM 0 HA VAL A 96 5.449 -3.208 1.359 1.00 0.00 H new ATOM 0 HB VAL A 96 2.788 -4.212 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.726 -2.025 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.141 -2.984 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.334 -1.644 2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.779 -2.277 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.348 -1.907 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.502 -3.421 0.137 1.00 0.00 H new ATOM 1571 N GLU A 97 4.700 -6.045 2.896 1.00 0.00 N ATOM 1572 CA GLU A 97 5.143 -6.991 3.912 1.00 0.00 C ATOM 1573 C GLU A 97 6.609 -7.362 3.706 1.00 0.00 C ATOM 1574 O GLU A 97 7.361 -7.508 4.669 1.00 0.00 O ATOM 1575 CB GLU A 97 4.275 -8.250 3.882 1.00 0.00 C ATOM 1576 CG GLU A 97 3.148 -8.234 4.902 1.00 0.00 C ATOM 1577 CD GLU A 97 3.419 -9.142 6.086 1.00 0.00 C ATOM 1578 OE1 GLU A 97 3.243 -10.370 5.944 1.00 0.00 O ATOM 1579 OE2 GLU A 97 3.808 -8.625 7.154 1.00 0.00 O ATOM 0 H GLU A 97 3.875 -6.343 2.376 1.00 0.00 H new ATOM 0 HA GLU A 97 5.041 -6.514 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.850 -8.365 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.905 -9.121 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.999 -7.214 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.221 -8.541 4.418 1.00 0.00 H new ATOM 1586 N GLU A 98 7.010 -7.509 2.446 1.00 0.00 N ATOM 1587 CA GLU A 98 8.390 -7.858 2.128 1.00 0.00 C ATOM 1588 C GLU A 98 9.340 -6.757 2.595 1.00 0.00 C ATOM 1589 O GLU A 98 10.337 -7.017 3.281 1.00 0.00 O ATOM 1590 CB GLU A 98 8.538 -8.056 0.619 1.00 0.00 C ATOM 1591 CG GLU A 98 8.310 -9.482 0.150 1.00 0.00 C ATOM 1592 CD GLU A 98 9.134 -10.493 0.925 1.00 0.00 C ATOM 1593 OE1 GLU A 98 10.239 -10.842 0.458 1.00 0.00 O ATOM 1594 OE2 GLU A 98 8.675 -10.936 1.999 1.00 0.00 O ATOM 0 H GLU A 98 6.403 -7.393 1.634 1.00 0.00 H new ATOM 0 HA GLU A 98 8.643 -8.784 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.833 -7.401 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.538 -7.743 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.253 -9.728 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.556 -9.555 -0.909 1.00 0.00 H new ATOM 1601 N ILE A 99 9.010 -5.518 2.248 1.00 0.00 N ATOM 1602 CA ILE A 99 9.826 -4.384 2.653 1.00 0.00 C ATOM 1603 C ILE A 99 9.830 -4.278 4.169 1.00 0.00 C ATOM 1604 O ILE A 99 10.859 -3.995 4.784 1.00 0.00 O ATOM 1605 CB ILE A 99 9.336 -3.056 2.039 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.036 -3.228 0.546 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.381 -1.969 2.242 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.855 -2.411 0.070 1.00 0.00 C ATOM 0 H ILE A 99 8.190 -5.276 1.692 1.00 0.00 H new ATOM 0 HA ILE A 99 10.836 -4.558 2.283 1.00 0.00 H new ATOM 0 HB ILE A 99 8.415 -2.762 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.918 -2.946 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.845 -4.281 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.025 -1.036 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.556 -1.827 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.312 -2.264 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.700 -2.581 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.962 -2.709 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.051 -1.353 0.243 1.00 0.00 H new ATOM 1620 N LEU A 100 8.671 -4.534 4.766 1.00 0.00 N ATOM 1621 CA LEU A 100 8.534 -4.495 6.216 1.00 0.00 C ATOM 1622 C LEU A 100 9.377 -5.598 6.847 1.00 0.00 C ATOM 1623 O LEU A 100 9.943 -5.422 7.925 1.00 0.00 O ATOM 1624 CB LEU A 100 7.069 -4.662 6.623 1.00 0.00 C ATOM 1625 CG LEU A 100 6.141 -3.513 6.221 1.00 0.00 C ATOM 1626 CD1 LEU A 100 4.819 -3.619 6.963 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.798 -2.166 6.487 1.00 0.00 C ATOM 0 H LEU A 100 7.813 -4.771 4.267 1.00 0.00 H new ATOM 0 HA LEU A 100 8.885 -3.526 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.690 -5.584 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.022 -4.783 7.705 1.00 0.00 H new ATOM 0 HG LEU A 100 5.947 -3.588 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.169 -2.796 6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.339 -4.566 6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.000 -3.571 8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.119 -1.366 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.027 -2.076 7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.719 -2.090 5.910 1.00 0.00 H new ATOM 1639 N ASP A 101 9.469 -6.729 6.151 1.00 0.00 N ATOM 1640 CA ASP A 101 10.261 -7.857 6.626 1.00 0.00 C ATOM 1641 C ASP A 101 11.742 -7.597 6.370 1.00 0.00 C ATOM 1642 O ASP A 101 12.612 -8.268 6.927 1.00 0.00 O ATOM 1643 CB ASP A 101 9.826 -9.148 5.930 1.00 0.00 C ATOM 1644 CG ASP A 101 9.706 -10.313 6.893 1.00 0.00 C ATOM 1645 OD1 ASP A 101 10.625 -11.159 6.918 1.00 0.00 O ATOM 1646 OD2 ASP A 101 8.695 -10.377 7.624 1.00 0.00 O ATOM 0 H ASP A 101 9.004 -6.887 5.257 1.00 0.00 H new ATOM 0 HA ASP A 101 10.099 -7.970 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.867 -8.987 5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.546 -9.397 5.151 1.00 0.00 H new ATOM 1651 N GLY A 102 12.013 -6.612 5.520 1.00 0.00 N ATOM 1652 CA GLY A 102 13.378 -6.255 5.185 1.00 0.00 C ATOM 1653 C GLY A 102 13.808 -6.805 3.843 1.00 0.00 C ATOM 1654 O GLY A 102 14.951 -6.617 3.424 1.00 0.00 O ATOM 0 H GLY A 102 11.302 -6.049 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.475 -5.169 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.048 -6.629 5.959 1.00 0.00 H new ATOM 1658 N ASN A 103 12.878 -7.446 3.145 1.00 0.00 N ATOM 1659 CA ASN A 103 13.153 -7.978 1.822 1.00 0.00 C ATOM 1660 C ASN A 103 12.507 -7.076 0.781 1.00 0.00 C ATOM 1661 O ASN A 103 11.286 -7.005 0.694 1.00 0.00 O ATOM 1662 CB ASN A 103 12.618 -9.405 1.692 1.00 0.00 C ATOM 1663 CG ASN A 103 13.240 -10.150 0.526 1.00 0.00 C ATOM 1664 OD1 ASN A 103 14.349 -10.674 0.629 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.525 -10.203 -0.591 1.00 0.00 N ATOM 0 H ASN A 103 11.927 -7.608 3.476 1.00 0.00 H new ATOM 0 HA ASN A 103 14.231 -8.007 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.815 -9.950 2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.536 -9.375 1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.891 -10.692 -1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.610 -9.754 -0.633 1.00 0.00 H new ATOM 1672 N ASP A 104 13.316 -6.370 0.006 1.00 0.00 N ATOM 1673 CA ASP A 104 12.768 -5.467 -1.003 1.00 0.00 C ATOM 1674 C ASP A 104 13.809 -5.037 -2.035 1.00 0.00 C ATOM 1675 O ASP A 104 13.580 -4.097 -2.792 1.00 0.00 O ATOM 1676 CB ASP A 104 12.182 -4.231 -0.319 1.00 0.00 C ATOM 1677 CG ASP A 104 13.183 -3.548 0.593 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.339 -2.313 0.486 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.809 -4.248 1.417 1.00 0.00 O ATOM 0 H ASP A 104 14.335 -6.400 0.051 1.00 0.00 H new ATOM 0 HA ASP A 104 11.990 -6.012 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.844 -3.525 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.305 -4.521 0.260 1.00 0.00 H new ATOM 1684 N GLU A 105 14.941 -5.727 -2.069 1.00 0.00 N ATOM 1685 CA GLU A 105 16.006 -5.404 -3.014 1.00 0.00 C ATOM 1686 C GLU A 105 15.488 -5.409 -4.449 1.00 0.00 C ATOM 1687 O GLU A 105 15.883 -4.575 -5.265 1.00 0.00 O ATOM 1688 CB GLU A 105 17.162 -6.397 -2.870 1.00 0.00 C ATOM 1689 CG GLU A 105 18.429 -5.777 -2.305 1.00 0.00 C ATOM 1690 CD GLU A 105 19.596 -6.746 -2.293 1.00 0.00 C ATOM 1691 OE1 GLU A 105 20.719 -6.327 -2.646 1.00 0.00 O ATOM 1692 OE2 GLU A 105 19.387 -7.922 -1.931 1.00 0.00 O ATOM 0 H GLU A 105 15.147 -6.514 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 105 16.366 -4.401 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.848 -7.216 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.383 -6.829 -3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.695 -4.900 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.238 -5.431 -1.289 1.00 0.00 H new ATOM 1699 N LYS A 106 14.600 -6.348 -4.748 1.00 0.00 N ATOM 1700 CA LYS A 106 14.027 -6.457 -6.083 1.00 0.00 C ATOM 1701 C LYS A 106 13.111 -5.273 -6.377 1.00 0.00 C ATOM 1702 O LYS A 106 12.940 -4.878 -7.530 1.00 0.00 O ATOM 1703 CB LYS A 106 13.248 -7.767 -6.224 1.00 0.00 C ATOM 1704 CG LYS A 106 12.034 -7.855 -5.312 1.00 0.00 C ATOM 1705 CD LYS A 106 11.118 -8.999 -5.714 1.00 0.00 C ATOM 1706 CE LYS A 106 10.077 -8.550 -6.726 1.00 0.00 C ATOM 1707 NZ LYS A 106 9.836 -9.585 -7.771 1.00 0.00 N ATOM 0 H LYS A 106 14.261 -7.045 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 106 14.844 -6.451 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.923 -7.877 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.915 -8.602 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.361 -7.994 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.482 -6.916 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.711 -9.810 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.620 -9.395 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.142 -8.329 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.406 -7.625 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.120 -9.241 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.722 -9.778 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.497 -10.460 -7.322 1.00 0.00 H new ATOM 1721 N TYR A 107 12.520 -4.712 -5.325 1.00 0.00 N ATOM 1722 CA TYR A 107 11.621 -3.581 -5.466 1.00 0.00 C ATOM 1723 C TYR A 107 12.392 -2.272 -5.620 1.00 0.00 C ATOM 1724 O TYR A 107 12.072 -1.448 -6.477 1.00 0.00 O ATOM 1725 CB TYR A 107 10.713 -3.487 -4.245 1.00 0.00 C ATOM 1726 CG TYR A 107 9.939 -4.746 -3.941 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.199 -5.386 -4.924 1.00 0.00 C ATOM 1728 CD2 TYR A 107 9.940 -5.284 -2.663 1.00 0.00 C ATOM 1729 CE1 TYR A 107 8.479 -6.530 -4.641 1.00 0.00 C ATOM 1730 CE2 TYR A 107 9.226 -6.428 -2.370 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.495 -7.048 -3.362 1.00 0.00 C ATOM 1732 OH TYR A 107 7.780 -8.189 -3.077 1.00 0.00 O ATOM 0 H TYR A 107 12.651 -5.027 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 107 11.025 -3.739 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.319 -3.230 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.008 -2.670 -4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.186 -4.984 -5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.509 -4.799 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.906 -7.017 -5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.239 -6.835 -1.370 1.00 0.00 H new ATOM 0 HH TYR A 107 8.384 -8.961 -3.072 1.00 0.00 H new ATOM 1742 N LYS A 108 13.399 -2.078 -4.772 1.00 0.00 N ATOM 1743 CA LYS A 108 14.203 -0.856 -4.805 1.00 0.00 C ATOM 1744 C LYS A 108 14.993 -0.740 -6.109 1.00 0.00 C ATOM 1745 O LYS A 108 15.517 0.326 -6.428 1.00 0.00 O ATOM 1746 CB LYS A 108 15.179 -0.784 -3.615 1.00 0.00 C ATOM 1747 CG LYS A 108 14.893 -1.764 -2.489 1.00 0.00 C ATOM 1748 CD LYS A 108 15.655 -1.402 -1.222 1.00 0.00 C ATOM 1749 CE LYS A 108 15.351 0.018 -0.773 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.307 0.136 0.710 1.00 0.00 N ATOM 0 H LYS A 108 13.678 -2.748 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 108 13.502 -0.024 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.190 -0.961 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.160 0.228 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.823 -1.776 -2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.168 -2.771 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.392 -2.100 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.726 -1.507 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.110 0.694 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.395 0.333 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.903 0.933 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.327 0.301 1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.660 -0.743 1.139 1.00 0.00 H new ATOM 1764 N ALA A 109 15.094 -1.840 -6.851 1.00 0.00 N ATOM 1765 CA ALA A 109 15.844 -1.842 -8.104 1.00 0.00 C ATOM 1766 C ALA A 109 14.951 -2.112 -9.312 1.00 0.00 C ATOM 1767 O ALA A 109 15.431 -2.568 -10.349 1.00 0.00 O ATOM 1768 CB ALA A 109 16.952 -2.877 -8.039 1.00 0.00 C ATOM 0 H ALA A 109 14.669 -2.735 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 109 16.271 -0.847 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.508 -2.874 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.626 -2.637 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.519 -3.864 -7.877 1.00 0.00 H new