USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 78 THR OG1 : rot 170:sc= -4.22! USER MOD Set 1.2: A 80 GLN : amide:sc= 0.685 K(o=-9,f=-7!) USER MOD Set 1.3: A 81 GLN : amide:sc= -5.43! C(o=-9!,f=-7!) USER MOD Set 2.1: A 35 SER OG : rot -149:sc= 0.737 USER MOD Set 2.2: A 47 SER OG : rot 161:sc= 0.238 USER MOD Single : A 22 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= -1.21 (180deg=-2.14!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 100:sc= -0.0821 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.0052) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 70 ASN : amide:sc= -3.8! C(o=-3.8!,f=-8.3!) USER MOD Single : A 73 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.2!) USER MOD Single : A 89 GLN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 90 CYS SG : rot 72:sc= -0.911! USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 98 GLN : amide:sc= -0.849 K(o=-0.85,f=-3.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0765 K(o=-0.077,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.906 -9.258 -0.688 1.00 0.00 N ATOM 230 CA VAL A 17 -1.327 -8.008 -0.228 1.00 0.00 C ATOM 231 C VAL A 17 -2.239 -7.388 0.833 1.00 0.00 C ATOM 232 O VAL A 17 -3.243 -7.984 1.219 1.00 0.00 O ATOM 233 CB VAL A 17 -1.076 -7.078 -1.417 1.00 0.00 C ATOM 234 CG1 VAL A 17 0.281 -7.368 -2.062 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.205 -7.185 -2.444 1.00 0.00 C ATOM 0 HA VAL A 17 -0.358 -8.186 0.239 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.058 -6.054 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.435 -6.694 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.072 -7.218 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.304 -8.399 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.002 -6.514 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.269 -8.210 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.150 -6.907 -1.976 1.00 0.00 H new ATOM 245 N GLU A 18 -1.857 -6.198 1.274 1.00 0.00 N ATOM 246 CA GLU A 18 -2.627 -5.491 2.283 1.00 0.00 C ATOM 247 C GLU A 18 -3.833 -4.801 1.642 1.00 0.00 C ATOM 248 O GLU A 18 -3.694 -3.746 1.025 1.00 0.00 O ATOM 249 CB GLU A 18 -1.754 -4.484 3.034 1.00 0.00 C ATOM 250 CG GLU A 18 -0.379 -5.077 3.347 1.00 0.00 C ATOM 251 CD GLU A 18 -0.078 -5.000 4.846 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.182 -3.871 5.315 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.114 -6.072 5.488 1.00 0.00 O ATOM 0 H GLU A 18 -1.024 -5.706 0.951 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.992 -6.217 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.637 -3.581 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.247 -4.190 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.343 -6.116 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.388 -4.539 2.790 1.00 0.00 H new ATOM 260 N GLU A 19 -4.990 -5.424 1.811 1.00 0.00 N ATOM 261 CA GLU A 19 -6.220 -4.883 1.256 1.00 0.00 C ATOM 262 C GLU A 19 -6.213 -3.355 1.342 1.00 0.00 C ATOM 263 O GLU A 19 -5.558 -2.781 2.211 1.00 0.00 O ATOM 264 CB GLU A 19 -7.444 -5.466 1.965 1.00 0.00 C ATOM 265 CG GLU A 19 -8.196 -6.436 1.051 1.00 0.00 C ATOM 266 CD GLU A 19 -9.708 -6.323 1.258 1.00 0.00 C ATOM 267 OE1 GLU A 19 -10.099 -5.917 2.373 1.00 0.00 O ATOM 268 OE2 GLU A 19 -10.438 -6.646 0.296 1.00 0.00 O ATOM 0 H GLU A 19 -5.102 -6.298 2.324 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.279 -5.169 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.131 -5.983 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.110 -4.659 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.951 -6.225 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.873 -7.457 1.254 1.00 0.00 H new ATOM 275 N PRO A 20 -6.969 -2.724 0.404 1.00 0.00 N ATOM 276 CA PRO A 20 -7.056 -1.274 0.365 1.00 0.00 C ATOM 277 C PRO A 20 -7.950 -0.748 1.490 1.00 0.00 C ATOM 278 O PRO A 20 -8.952 -1.373 1.835 1.00 0.00 O ATOM 279 CB PRO A 20 -7.591 -0.949 -1.020 1.00 0.00 C ATOM 280 CG PRO A 20 -8.220 -2.233 -1.536 1.00 0.00 C ATOM 281 CD PRO A 20 -7.757 -3.371 -0.640 1.00 0.00 C ATOM 0 HA PRO A 20 -6.093 -0.790 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.325 -0.145 -0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.790 -0.614 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.307 -2.157 -1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.923 -2.415 -2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.604 -3.913 -0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.160 -4.095 -1.195 1.00 0.00 H new ATOM 289 N ARG A 21 -7.556 0.396 2.030 1.00 0.00 N ATOM 290 CA ARG A 21 -8.309 1.013 3.108 1.00 0.00 C ATOM 291 C ARG A 21 -8.729 2.431 2.718 1.00 0.00 C ATOM 292 O ARG A 21 -8.227 2.985 1.742 1.00 0.00 O ATOM 293 CB ARG A 21 -7.484 1.068 4.395 1.00 0.00 C ATOM 294 CG ARG A 21 -6.488 2.230 4.359 1.00 0.00 C ATOM 295 CD ARG A 21 -5.426 2.076 5.449 1.00 0.00 C ATOM 296 NE ARG A 21 -5.670 3.051 6.534 1.00 0.00 N ATOM 297 CZ ARG A 21 -4.795 3.319 7.514 1.00 0.00 C ATOM 298 NH1 ARG A 21 -3.615 2.687 7.550 1.00 0.00 N ATOM 299 NH2 ARG A 21 -5.102 4.220 8.457 1.00 0.00 N ATOM 0 H ARG A 21 -6.725 0.912 1.741 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.195 0.404 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.148 1.180 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.948 0.128 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.008 2.272 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.018 3.173 4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.447 1.062 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.434 2.231 5.026 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.559 3.551 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.382 2.001 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.950 2.891 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.001 4.701 8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.437 4.424 9.203 1.00 0.00 H new ATOM 313 N HIS A 22 -9.647 2.979 3.502 1.00 0.00 N ATOM 314 CA HIS A 22 -10.140 4.322 3.251 1.00 0.00 C ATOM 315 C HIS A 22 -9.715 5.247 4.393 1.00 0.00 C ATOM 316 O HIS A 22 -10.275 5.188 5.486 1.00 0.00 O ATOM 317 CB HIS A 22 -11.654 4.313 3.028 1.00 0.00 C ATOM 318 CG HIS A 22 -12.134 3.205 2.122 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.812 1.875 2.329 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.916 3.243 1.005 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.379 1.154 1.372 1.00 0.00 C ATOM 322 NE2 HIS A 22 -13.062 2.003 0.553 1.00 0.00 N ATOM 0 H HIS A 22 -10.062 2.517 4.311 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.698 4.709 2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.153 4.221 3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.954 5.271 2.604 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.344 4.131 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.312 0.082 1.261 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.597 1.731 -0.271 1.00 0.00 H new ATOM 330 N VAL A 23 -8.727 6.081 4.100 1.00 0.00 N ATOM 331 CA VAL A 23 -8.220 7.017 5.089 1.00 0.00 C ATOM 332 C VAL A 23 -8.870 8.384 4.871 1.00 0.00 C ATOM 333 O VAL A 23 -8.454 9.140 3.994 1.00 0.00 O ATOM 334 CB VAL A 23 -6.692 7.064 5.029 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.155 8.324 5.712 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.080 5.804 5.644 1.00 0.00 C ATOM 0 H VAL A 23 -8.265 6.128 3.192 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.482 6.690 6.095 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.399 7.101 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.067 8.333 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.552 9.207 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.464 8.331 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.993 5.863 5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.386 5.723 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.424 4.927 5.095 1.00 0.00 H new ATOM 346 N LYS A 24 -9.879 8.661 5.683 1.00 0.00 N ATOM 347 CA LYS A 24 -10.591 9.925 5.589 1.00 0.00 C ATOM 348 C LYS A 24 -9.627 11.072 5.900 1.00 0.00 C ATOM 349 O LYS A 24 -8.583 10.861 6.516 1.00 0.00 O ATOM 350 CB LYS A 24 -11.834 9.907 6.481 1.00 0.00 C ATOM 351 CG LYS A 24 -13.095 10.211 5.670 1.00 0.00 C ATOM 352 CD LYS A 24 -14.008 11.183 6.419 1.00 0.00 C ATOM 353 CE LYS A 24 -15.288 10.486 6.883 1.00 0.00 C ATOM 354 NZ LYS A 24 -15.001 9.574 8.013 1.00 0.00 N ATOM 0 H LYS A 24 -10.221 8.032 6.409 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.957 10.082 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.930 8.931 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.724 10.642 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.818 10.637 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.633 9.285 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.480 11.593 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.261 12.022 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.025 11.230 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.724 9.925 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.881 9.109 8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.314 8.853 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.606 10.118 8.807 1.00 0.00 H new ATOM 368 N VAL A 25 -10.011 12.261 5.460 1.00 0.00 N ATOM 369 CA VAL A 25 -9.194 13.441 5.684 1.00 0.00 C ATOM 370 C VAL A 25 -10.091 14.601 6.121 1.00 0.00 C ATOM 371 O VAL A 25 -11.250 14.681 5.717 1.00 0.00 O ATOM 372 CB VAL A 25 -8.377 13.758 4.429 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.314 14.819 4.721 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.743 12.490 3.854 1.00 0.00 C ATOM 0 H VAL A 25 -10.877 12.432 4.949 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.478 13.263 6.486 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.057 14.163 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.748 15.026 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.798 15.734 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.639 14.454 5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.168 12.743 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.083 12.044 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.526 11.779 3.591 1.00 0.00 H new ATOM 384 N GLN A 26 -9.521 15.471 6.942 1.00 0.00 N ATOM 385 CA GLN A 26 -10.254 16.623 7.439 1.00 0.00 C ATOM 386 C GLN A 26 -9.464 17.907 7.179 1.00 0.00 C ATOM 387 O GLN A 26 -9.215 18.684 8.100 1.00 0.00 O ATOM 388 CB GLN A 26 -10.575 16.468 8.927 1.00 0.00 C ATOM 389 CG GLN A 26 -9.484 15.671 9.643 1.00 0.00 C ATOM 390 CD GLN A 26 -9.391 16.071 11.117 1.00 0.00 C ATOM 391 OE1 GLN A 26 -8.468 16.741 11.549 1.00 0.00 O ATOM 392 NE2 GLN A 26 -10.398 15.624 11.863 1.00 0.00 N ATOM 0 H GLN A 26 -8.560 15.401 7.276 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.200 16.687 6.902 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.672 17.452 9.386 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.535 15.965 9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.697 14.605 9.565 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.524 15.841 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.140 15.067 11.438 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.428 15.838 12.860 1.00 0.00 H new ATOM 401 N LYS A 27 -9.092 18.091 5.921 1.00 0.00 N ATOM 402 CA LYS A 27 -8.335 19.268 5.529 1.00 0.00 C ATOM 403 C LYS A 27 -8.838 20.479 6.318 1.00 0.00 C ATOM 404 O LYS A 27 -8.278 20.822 7.358 1.00 0.00 O ATOM 405 CB LYS A 27 -8.389 19.458 4.011 1.00 0.00 C ATOM 406 CG LYS A 27 -6.987 19.388 3.401 1.00 0.00 C ATOM 407 CD LYS A 27 -6.624 17.950 3.025 1.00 0.00 C ATOM 408 CE LYS A 27 -6.524 17.789 1.507 1.00 0.00 C ATOM 409 NZ LYS A 27 -7.393 16.684 1.044 1.00 0.00 N ATOM 0 H LYS A 27 -9.301 17.445 5.160 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.281 19.142 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.022 18.690 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.844 20.420 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.940 20.022 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.258 19.777 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.675 17.678 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.377 17.266 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.815 18.718 1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.490 17.590 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.803 15.894 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.993 16.362 1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.994 17.018 0.264 1.00 0.00 H new ATOM 423 N GLY A 28 -9.888 21.093 5.793 1.00 0.00 N ATOM 424 CA GLY A 28 -10.473 22.258 6.436 1.00 0.00 C ATOM 425 C GLY A 28 -9.674 23.521 6.110 1.00 0.00 C ATOM 426 O GLY A 28 -9.219 24.222 7.013 1.00 0.00 O ATOM 0 H GLY A 28 -10.349 20.806 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.505 22.380 6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.499 22.108 7.515 1.00 0.00 H new ATOM 430 N SER A 29 -9.528 23.774 4.818 1.00 0.00 N ATOM 431 CA SER A 29 -8.792 24.941 4.362 1.00 0.00 C ATOM 432 C SER A 29 -7.311 24.797 4.717 1.00 0.00 C ATOM 433 O SER A 29 -6.678 25.756 5.156 1.00 0.00 O ATOM 434 CB SER A 29 -9.361 26.224 4.972 1.00 0.00 C ATOM 435 OG SER A 29 -10.116 26.976 4.026 1.00 0.00 O ATOM 0 H SER A 29 -9.907 23.191 4.072 1.00 0.00 H new ATOM 0 HA SER A 29 -8.895 25.009 3.279 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.994 25.971 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.545 26.837 5.354 1.00 0.00 H new ATOM 0 HG SER A 29 -10.463 27.786 4.454 1.00 0.00 H new ATOM 441 N GLU A 30 -6.801 23.591 4.513 1.00 0.00 N ATOM 442 CA GLU A 30 -5.406 23.310 4.806 1.00 0.00 C ATOM 443 C GLU A 30 -4.825 22.358 3.758 1.00 0.00 C ATOM 444 O GLU A 30 -5.564 21.618 3.110 1.00 0.00 O ATOM 445 CB GLU A 30 -5.246 22.736 6.216 1.00 0.00 C ATOM 446 CG GLU A 30 -5.256 23.850 7.265 1.00 0.00 C ATOM 447 CD GLU A 30 -6.314 23.584 8.337 1.00 0.00 C ATOM 448 OE1 GLU A 30 -6.477 22.397 8.692 1.00 0.00 O ATOM 449 OE2 GLU A 30 -6.936 24.575 8.778 1.00 0.00 O ATOM 0 H GLU A 30 -7.329 22.798 4.149 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.851 24.247 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.053 22.032 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.312 22.178 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.273 23.925 7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.455 24.807 6.782 1.00 0.00 H new ATOM 456 N PRO A 31 -3.473 22.409 3.621 1.00 0.00 N ATOM 457 CA PRO A 31 -2.785 21.560 2.664 1.00 0.00 C ATOM 458 C PRO A 31 -2.715 20.115 3.162 1.00 0.00 C ATOM 459 O PRO A 31 -2.964 19.848 4.337 1.00 0.00 O ATOM 460 CB PRO A 31 -1.416 22.195 2.488 1.00 0.00 C ATOM 461 CG PRO A 31 -1.218 23.101 3.692 1.00 0.00 C ATOM 462 CD PRO A 31 -2.567 23.273 4.372 1.00 0.00 C ATOM 0 HA PRO A 31 -3.306 21.496 1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.636 21.435 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.366 22.763 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.495 22.666 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.821 24.067 3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.521 22.982 5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.896 24.312 4.343 1.00 0.00 H new ATOM 470 N LEU A 32 -2.374 19.222 2.245 1.00 0.00 N ATOM 471 CA LEU A 32 -2.267 17.812 2.577 1.00 0.00 C ATOM 472 C LEU A 32 -0.871 17.527 3.133 1.00 0.00 C ATOM 473 O LEU A 32 -0.711 16.691 4.021 1.00 0.00 O ATOM 474 CB LEU A 32 -2.636 16.948 1.369 1.00 0.00 C ATOM 475 CG LEU A 32 -2.875 15.464 1.655 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.075 15.271 2.585 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.026 14.673 0.354 1.00 0.00 C ATOM 0 H LEU A 32 -2.168 19.448 1.272 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.981 17.550 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.537 17.360 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.839 17.032 0.630 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.000 15.070 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.223 14.207 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.890 15.783 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.968 15.685 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.195 13.621 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.873 15.061 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.117 14.773 -0.240 1.00 0.00 H new ATOM 489 N GLY A 33 0.105 18.239 2.589 1.00 0.00 N ATOM 490 CA GLY A 33 1.483 18.074 3.019 1.00 0.00 C ATOM 491 C GLY A 33 1.953 16.633 2.811 1.00 0.00 C ATOM 492 O GLY A 33 2.187 15.907 3.776 1.00 0.00 O ATOM 0 H GLY A 33 -0.032 18.932 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.126 18.754 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.574 18.342 4.072 1.00 0.00 H new ATOM 496 N ILE A 34 2.077 16.262 1.545 1.00 0.00 N ATOM 497 CA ILE A 34 2.515 14.921 1.198 1.00 0.00 C ATOM 498 C ILE A 34 3.239 14.958 -0.150 1.00 0.00 C ATOM 499 O ILE A 34 2.967 15.824 -0.980 1.00 0.00 O ATOM 500 CB ILE A 34 1.337 13.946 1.236 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.245 14.365 0.250 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.797 13.794 2.660 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.034 13.255 -0.764 1.00 0.00 C ATOM 0 H ILE A 34 1.882 16.867 0.747 1.00 0.00 H new ATOM 0 HA ILE A 34 3.229 14.551 1.934 1.00 0.00 H new ATOM 0 HB ILE A 34 1.695 12.966 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.669 14.603 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.550 15.271 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.040 13.096 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.586 13.415 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.460 14.764 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.814 13.579 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.876 13.036 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.363 12.358 -0.240 1.00 0.00 H new ATOM 515 N SER A 35 4.146 14.009 -0.325 1.00 0.00 N ATOM 516 CA SER A 35 4.911 13.922 -1.557 1.00 0.00 C ATOM 517 C SER A 35 4.465 12.701 -2.365 1.00 0.00 C ATOM 518 O SER A 35 4.186 11.646 -1.798 1.00 0.00 O ATOM 519 CB SER A 35 6.412 13.850 -1.271 1.00 0.00 C ATOM 520 OG SER A 35 7.191 14.194 -2.413 1.00 0.00 O ATOM 0 H SER A 35 4.369 13.293 0.366 1.00 0.00 H new ATOM 0 HA SER A 35 4.723 14.824 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.657 14.523 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.671 12.842 -0.946 1.00 0.00 H new ATOM 0 HG SER A 35 8.038 13.701 -2.392 1.00 0.00 H new ATOM 526 N ILE A 36 4.413 12.886 -3.676 1.00 0.00 N ATOM 527 CA ILE A 36 4.006 11.812 -4.567 1.00 0.00 C ATOM 528 C ILE A 36 4.979 11.738 -5.745 1.00 0.00 C ATOM 529 O ILE A 36 5.565 12.746 -6.136 1.00 0.00 O ATOM 530 CB ILE A 36 2.545 11.988 -4.985 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.361 13.263 -5.811 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.618 11.953 -3.769 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.443 12.963 -7.309 1.00 0.00 C ATOM 0 H ILE A 36 4.646 13.763 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 36 4.052 10.851 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 36 2.269 11.149 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.396 13.715 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.127 13.990 -5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.586 12.080 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.722 10.995 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.885 12.759 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.309 13.886 -7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.418 12.534 -7.541 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.661 12.255 -7.582 1.00 0.00 H new ATOM 545 N VAL A 37 5.120 10.533 -6.279 1.00 0.00 N ATOM 546 CA VAL A 37 6.012 10.314 -7.406 1.00 0.00 C ATOM 547 C VAL A 37 5.344 9.364 -8.401 1.00 0.00 C ATOM 548 O VAL A 37 4.568 8.493 -8.010 1.00 0.00 O ATOM 549 CB VAL A 37 7.366 9.804 -6.909 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.847 10.612 -5.701 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.304 8.311 -6.581 1.00 0.00 C ATOM 0 H VAL A 37 4.632 9.699 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 37 6.205 11.250 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 37 8.090 9.940 -7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.811 10.229 -5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.950 11.660 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.122 10.523 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.280 7.975 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.560 8.140 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.028 7.753 -7.476 1.00 0.00 H new ATOM 561 N SER A 38 5.670 9.563 -9.670 1.00 0.00 N ATOM 562 CA SER A 38 5.112 8.734 -10.725 1.00 0.00 C ATOM 563 C SER A 38 6.128 7.672 -11.150 1.00 0.00 C ATOM 564 O SER A 38 7.332 7.920 -11.136 1.00 0.00 O ATOM 565 CB SER A 38 4.695 9.582 -11.929 1.00 0.00 C ATOM 566 OG SER A 38 4.162 8.786 -12.983 1.00 0.00 O ATOM 0 H SER A 38 6.313 10.286 -9.991 1.00 0.00 H new ATOM 0 HA SER A 38 4.222 8.240 -10.336 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.951 10.315 -11.616 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.557 10.139 -12.296 1.00 0.00 H new ATOM 0 HG SER A 38 3.906 9.364 -13.732 1.00 0.00 H new ATOM 572 N GLY A 39 5.604 6.512 -11.517 1.00 0.00 N ATOM 573 CA GLY A 39 6.451 5.411 -11.945 1.00 0.00 C ATOM 574 C GLY A 39 6.400 5.239 -13.465 1.00 0.00 C ATOM 575 O GLY A 39 5.359 5.457 -14.083 1.00 0.00 O ATOM 0 H GLY A 39 4.604 6.310 -11.527 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.478 5.594 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.129 4.490 -11.460 1.00 0.00 H new ATOM 623 N GLY A 43 1.878 3.500 -11.077 1.00 0.00 N ATOM 624 CA GLY A 43 0.937 4.510 -10.625 1.00 0.00 C ATOM 625 C GLY A 43 1.642 5.579 -9.786 1.00 0.00 C ATOM 626 O GLY A 43 2.811 5.883 -10.016 1.00 0.00 O ATOM 0 HA2 GLY A 43 0.457 4.976 -11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.149 4.041 -10.036 1.00 0.00 H new ATOM 630 N ILE A 44 0.900 6.119 -8.830 1.00 0.00 N ATOM 631 CA ILE A 44 1.439 7.147 -7.956 1.00 0.00 C ATOM 632 C ILE A 44 1.806 6.523 -6.608 1.00 0.00 C ATOM 633 O ILE A 44 1.074 5.681 -6.090 1.00 0.00 O ATOM 634 CB ILE A 44 0.465 8.321 -7.845 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.192 8.938 -9.218 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.968 9.359 -6.840 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.443 9.623 -9.770 1.00 0.00 C ATOM 0 H ILE A 44 -0.069 5.864 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 44 2.355 7.562 -8.376 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.485 7.942 -7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.138 8.163 -9.910 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.619 9.662 -9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.257 10.183 -6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.069 8.896 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.937 9.739 -7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.221 10.053 -10.747 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.756 10.414 -9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.245 8.891 -9.869 1.00 0.00 H new ATOM 649 N TYR A 45 2.938 6.961 -6.077 1.00 0.00 N ATOM 650 CA TYR A 45 3.410 6.456 -4.799 1.00 0.00 C ATOM 651 C TYR A 45 3.831 7.602 -3.878 1.00 0.00 C ATOM 652 O TYR A 45 4.420 8.583 -4.330 1.00 0.00 O ATOM 653 CB TYR A 45 4.636 5.594 -5.113 1.00 0.00 C ATOM 654 CG TYR A 45 4.349 4.425 -6.057 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.296 4.635 -7.420 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.144 3.160 -5.546 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.026 3.535 -8.309 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.874 2.059 -6.434 1.00 0.00 C ATOM 659 CZ TYR A 45 3.828 2.301 -7.772 1.00 0.00 C ATOM 660 OH TYR A 45 3.574 1.261 -8.611 1.00 0.00 O ATOM 0 H TYR A 45 3.542 7.660 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 45 2.623 5.896 -4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.407 6.225 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.041 5.203 -4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.457 5.625 -7.820 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.186 2.995 -4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.982 3.686 -9.377 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.712 1.064 -6.047 1.00 0.00 H new ATOM 0 HH TYR A 45 3.455 0.441 -8.088 1.00 0.00 H new ATOM 670 N VAL A 46 3.510 7.442 -2.603 1.00 0.00 N ATOM 671 CA VAL A 46 3.847 8.452 -1.613 1.00 0.00 C ATOM 672 C VAL A 46 5.368 8.550 -1.489 1.00 0.00 C ATOM 673 O VAL A 46 6.045 7.542 -1.290 1.00 0.00 O ATOM 674 CB VAL A 46 3.157 8.134 -0.285 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.653 9.062 0.826 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.636 8.209 -0.425 1.00 0.00 C ATOM 0 H VAL A 46 3.020 6.628 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 46 3.483 9.431 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 46 3.417 7.112 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.147 8.815 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.728 8.936 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.437 10.097 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.171 7.979 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.348 9.213 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.303 7.489 -1.172 1.00 0.00 H new ATOM 686 N SER A 47 5.862 9.773 -1.611 1.00 0.00 N ATOM 687 CA SER A 47 7.292 10.016 -1.515 1.00 0.00 C ATOM 688 C SER A 47 7.646 10.505 -0.109 1.00 0.00 C ATOM 689 O SER A 47 8.791 10.386 0.324 1.00 0.00 O ATOM 690 CB SER A 47 7.749 11.034 -2.562 1.00 0.00 C ATOM 691 OG SER A 47 8.615 12.019 -2.005 1.00 0.00 O ATOM 0 H SER A 47 5.298 10.607 -1.776 1.00 0.00 H new ATOM 0 HA SER A 47 7.812 9.078 -1.708 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.263 10.516 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.877 11.522 -2.998 1.00 0.00 H new ATOM 0 HG SER A 47 9.120 12.455 -2.723 1.00 0.00 H new ATOM 697 N LYS A 48 6.641 11.046 0.565 1.00 0.00 N ATOM 698 CA LYS A 48 6.832 11.554 1.913 1.00 0.00 C ATOM 699 C LYS A 48 5.509 12.121 2.432 1.00 0.00 C ATOM 700 O LYS A 48 4.538 12.221 1.685 1.00 0.00 O ATOM 701 CB LYS A 48 7.988 12.556 1.950 1.00 0.00 C ATOM 702 CG LYS A 48 8.836 12.370 3.209 1.00 0.00 C ATOM 703 CD LYS A 48 10.326 12.324 2.865 1.00 0.00 C ATOM 704 CE LYS A 48 11.184 12.492 4.121 1.00 0.00 C ATOM 705 NZ LYS A 48 12.621 12.372 3.787 1.00 0.00 N ATOM 0 H LYS A 48 5.693 11.143 0.203 1.00 0.00 H new ATOM 0 HA LYS A 48 7.119 10.747 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.612 12.429 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.594 13.572 1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.645 13.187 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.547 11.448 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.562 11.375 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.562 13.112 2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.990 13.464 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.912 11.737 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.189 12.488 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.805 11.435 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.880 13.108 3.100 1.00 0.00 H new ATOM 719 N VAL A 49 5.515 12.477 3.708 1.00 0.00 N ATOM 720 CA VAL A 49 4.327 13.031 4.336 1.00 0.00 C ATOM 721 C VAL A 49 4.745 13.941 5.493 1.00 0.00 C ATOM 722 O VAL A 49 5.679 13.627 6.228 1.00 0.00 O ATOM 723 CB VAL A 49 3.390 11.903 4.771 1.00 0.00 C ATOM 724 CG1 VAL A 49 4.172 10.763 5.428 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.297 12.427 5.705 1.00 0.00 C ATOM 0 H VAL A 49 6.323 12.393 4.324 1.00 0.00 H new ATOM 0 HA VAL A 49 3.769 13.642 3.626 1.00 0.00 H new ATOM 0 HB VAL A 49 2.906 11.507 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.482 9.974 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.896 10.362 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.696 11.140 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.645 11.605 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.755 12.862 6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.711 13.188 5.189 1.00 0.00 H new ATOM 735 N THR A 50 4.032 15.051 5.618 1.00 0.00 N ATOM 736 CA THR A 50 4.316 16.009 6.672 1.00 0.00 C ATOM 737 C THR A 50 3.296 15.874 7.804 1.00 0.00 C ATOM 738 O THR A 50 2.194 15.368 7.595 1.00 0.00 O ATOM 739 CB THR A 50 4.350 17.404 6.047 1.00 0.00 C ATOM 740 OG1 THR A 50 5.455 17.356 5.149 1.00 0.00 O ATOM 741 CG2 THR A 50 4.737 18.489 7.055 1.00 0.00 C ATOM 0 H THR A 50 3.258 15.308 5.006 1.00 0.00 H new ATOM 0 HA THR A 50 5.287 15.819 7.128 1.00 0.00 H new ATOM 0 HB THR A 50 3.373 17.634 5.623 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.548 18.221 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.746 19.460 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.013 18.504 7.869 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.728 18.277 7.455 1.00 0.00 H new ATOM 749 N VAL A 51 3.698 16.337 8.979 1.00 0.00 N ATOM 750 CA VAL A 51 2.832 16.275 10.144 1.00 0.00 C ATOM 751 C VAL A 51 2.000 17.556 10.224 1.00 0.00 C ATOM 752 O VAL A 51 2.375 18.581 9.656 1.00 0.00 O ATOM 753 CB VAL A 51 3.666 16.024 11.403 1.00 0.00 C ATOM 754 CG1 VAL A 51 4.330 17.315 11.886 1.00 0.00 C ATOM 755 CG2 VAL A 51 2.814 15.398 12.509 1.00 0.00 C ATOM 0 H VAL A 51 4.612 16.757 9.149 1.00 0.00 H new ATOM 0 HA VAL A 51 2.136 15.440 10.059 1.00 0.00 H new ATOM 0 HB VAL A 51 4.455 15.317 11.148 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.916 17.110 12.781 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.984 17.702 11.105 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.563 18.054 12.116 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.430 15.230 13.392 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.994 16.070 12.761 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.410 14.447 12.163 1.00 0.00 H new ATOM 765 N GLY A 52 0.885 17.456 10.933 1.00 0.00 N ATOM 766 CA GLY A 52 -0.004 18.594 11.095 1.00 0.00 C ATOM 767 C GLY A 52 -0.430 19.154 9.736 1.00 0.00 C ATOM 768 O GLY A 52 -0.907 20.284 9.649 1.00 0.00 O ATOM 0 H GLY A 52 0.577 16.604 11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.886 18.294 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.496 19.372 11.672 1.00 0.00 H new ATOM 772 N SER A 53 -0.242 18.337 8.710 1.00 0.00 N ATOM 773 CA SER A 53 -0.600 18.737 7.360 1.00 0.00 C ATOM 774 C SER A 53 -1.887 18.030 6.928 1.00 0.00 C ATOM 775 O SER A 53 -2.244 18.047 5.752 1.00 0.00 O ATOM 776 CB SER A 53 0.530 18.430 6.376 1.00 0.00 C ATOM 777 OG SER A 53 1.398 19.545 6.195 1.00 0.00 O ATOM 0 H SER A 53 0.154 17.400 8.787 1.00 0.00 H new ATOM 0 HA SER A 53 -0.766 19.814 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.105 17.578 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.105 18.142 5.415 1.00 0.00 H new ATOM 0 HG SER A 53 2.204 19.424 6.739 1.00 0.00 H new ATOM 783 N ILE A 54 -2.546 17.423 7.904 1.00 0.00 N ATOM 784 CA ILE A 54 -3.785 16.711 7.640 1.00 0.00 C ATOM 785 C ILE A 54 -3.462 15.281 7.203 1.00 0.00 C ATOM 786 O ILE A 54 -4.067 14.327 7.691 1.00 0.00 O ATOM 787 CB ILE A 54 -4.643 17.482 6.636 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.777 18.951 7.043 1.00 0.00 C ATOM 789 CG2 ILE A 54 -6.006 16.812 6.450 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.834 19.123 8.136 1.00 0.00 C ATOM 0 H ILE A 54 -2.245 17.409 8.879 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.385 16.640 8.547 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.139 17.460 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.816 19.322 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.047 19.550 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.596 17.381 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.865 15.796 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.530 16.781 7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.909 20.176 8.407 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.798 18.773 7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.548 18.542 9.013 1.00 0.00 H new ATOM 802 N ALA A 55 -2.510 15.176 6.288 1.00 0.00 N ATOM 803 CA ALA A 55 -2.100 13.878 5.780 1.00 0.00 C ATOM 804 C ALA A 55 -1.790 12.949 6.955 1.00 0.00 C ATOM 805 O ALA A 55 -2.494 11.965 7.175 1.00 0.00 O ATOM 806 CB ALA A 55 -0.903 14.052 4.843 1.00 0.00 C ATOM 0 H ALA A 55 -2.011 15.969 5.885 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.903 13.421 5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.595 13.078 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.184 14.696 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.076 14.506 5.389 1.00 0.00 H new ATOM 812 N HIS A 56 -0.736 13.295 7.680 1.00 0.00 N ATOM 813 CA HIS A 56 -0.325 12.505 8.827 1.00 0.00 C ATOM 814 C HIS A 56 -1.548 12.163 9.680 1.00 0.00 C ATOM 815 O HIS A 56 -1.756 11.005 10.038 1.00 0.00 O ATOM 816 CB HIS A 56 0.768 13.225 9.620 1.00 0.00 C ATOM 817 CG HIS A 56 1.683 12.299 10.385 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.290 11.638 11.535 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.976 11.930 10.152 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.308 10.908 11.967 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.352 11.091 11.109 1.00 0.00 N ATOM 0 H HIS A 56 -0.155 14.112 7.495 1.00 0.00 H new ATOM 0 HA HIS A 56 0.112 11.566 8.488 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.366 13.824 8.933 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.299 13.916 10.320 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.589 12.264 9.328 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.310 10.279 12.845 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.271 10.655 11.190 1.00 0.00 H new ATOM 829 N GLN A 57 -2.326 13.193 9.981 1.00 0.00 N ATOM 830 CA GLN A 57 -3.523 13.016 10.786 1.00 0.00 C ATOM 831 C GLN A 57 -4.414 11.931 10.180 1.00 0.00 C ATOM 832 O GLN A 57 -5.004 11.130 10.904 1.00 0.00 O ATOM 833 CB GLN A 57 -4.285 14.335 10.930 1.00 0.00 C ATOM 834 CG GLN A 57 -3.328 15.494 11.215 1.00 0.00 C ATOM 835 CD GLN A 57 -4.059 16.656 11.889 1.00 0.00 C ATOM 836 OE1 GLN A 57 -4.167 17.749 11.356 1.00 0.00 O ATOM 837 NE2 GLN A 57 -4.554 16.362 13.088 1.00 0.00 N ATOM 0 H GLN A 57 -2.151 14.152 9.682 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.223 12.696 11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.845 14.537 10.017 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.012 14.252 11.738 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.516 15.150 11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.877 15.835 10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.428 15.427 13.476 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.059 17.071 13.619 1.00 0.00 H new ATOM 846 N ALA A 58 -4.485 11.939 8.857 1.00 0.00 N ATOM 847 CA ALA A 58 -5.295 10.965 8.145 1.00 0.00 C ATOM 848 C ALA A 58 -4.672 9.577 8.302 1.00 0.00 C ATOM 849 O ALA A 58 -5.378 8.570 8.286 1.00 0.00 O ATOM 850 CB ALA A 58 -5.425 11.382 6.679 1.00 0.00 C ATOM 0 H ALA A 58 -3.995 12.605 8.259 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.301 10.925 8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.033 10.651 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.900 12.361 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.435 11.431 6.226 1.00 0.00 H new ATOM 856 N GLY A 59 -3.355 9.568 8.452 1.00 0.00 N ATOM 857 CA GLY A 59 -2.628 8.320 8.613 1.00 0.00 C ATOM 858 C GLY A 59 -2.032 7.858 7.282 1.00 0.00 C ATOM 859 O GLY A 59 -2.281 6.737 6.841 1.00 0.00 O ATOM 0 H GLY A 59 -2.773 10.405 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.832 8.450 9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.297 7.553 9.002 1.00 0.00 H new ATOM 863 N LEU A 60 -1.254 8.745 6.679 1.00 0.00 N ATOM 864 CA LEU A 60 -0.620 8.442 5.407 1.00 0.00 C ATOM 865 C LEU A 60 0.864 8.149 5.639 1.00 0.00 C ATOM 866 O LEU A 60 1.497 8.768 6.493 1.00 0.00 O ATOM 867 CB LEU A 60 -0.874 9.566 4.400 1.00 0.00 C ATOM 868 CG LEU A 60 -2.287 9.637 3.818 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.464 10.892 2.961 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.627 8.362 3.045 1.00 0.00 C ATOM 0 H LEU A 60 -1.048 9.674 7.048 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.058 7.546 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.653 10.517 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.168 9.456 3.577 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.994 9.709 4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.477 10.918 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.293 11.778 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.748 10.875 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.637 8.439 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.919 8.233 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.568 7.504 3.715 1.00 0.00 H new ATOM 882 N GLU A 61 1.376 7.204 4.864 1.00 0.00 N ATOM 883 CA GLU A 61 2.773 6.820 4.975 1.00 0.00 C ATOM 884 C GLU A 61 3.375 6.603 3.585 1.00 0.00 C ATOM 885 O GLU A 61 2.660 6.626 2.585 1.00 0.00 O ATOM 886 CB GLU A 61 2.932 5.571 5.844 1.00 0.00 C ATOM 887 CG GLU A 61 2.208 4.375 5.222 1.00 0.00 C ATOM 888 CD GLU A 61 3.206 3.333 4.715 1.00 0.00 C ATOM 889 OE1 GLU A 61 4.280 3.222 5.345 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.872 2.669 3.709 1.00 0.00 O ATOM 0 H GLU A 61 0.848 6.693 4.157 1.00 0.00 H new ATOM 0 HA GLU A 61 3.315 7.631 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.990 5.339 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.534 5.764 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.547 3.921 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.580 4.714 4.398 1.00 0.00 H new ATOM 897 N TYR A 62 4.684 6.396 3.569 1.00 0.00 N ATOM 898 CA TYR A 62 5.390 6.174 2.318 1.00 0.00 C ATOM 899 C TYR A 62 5.318 4.703 1.902 1.00 0.00 C ATOM 900 O TYR A 62 5.136 3.824 2.743 1.00 0.00 O ATOM 901 CB TYR A 62 6.850 6.545 2.587 1.00 0.00 C ATOM 902 CG TYR A 62 7.768 6.374 1.376 1.00 0.00 C ATOM 903 CD1 TYR A 62 8.091 5.109 0.927 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.274 7.485 0.731 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.956 4.949 -0.213 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.139 7.324 -0.409 1.00 0.00 C ATOM 907 CZ TYR A 62 9.437 6.064 -0.825 1.00 0.00 C ATOM 908 OH TYR A 62 10.254 5.912 -1.902 1.00 0.00 O ATOM 0 H TYR A 62 5.273 6.377 4.401 1.00 0.00 H new ATOM 0 HA TYR A 62 4.949 6.767 1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.895 7.582 2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.226 5.930 3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.695 4.240 1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.021 8.475 1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.217 3.965 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.542 8.185 -0.922 1.00 0.00 H new ATOM 0 HH TYR A 62 10.520 6.793 -2.238 1.00 0.00 H new ATOM 918 N GLY A 63 5.466 4.481 0.604 1.00 0.00 N ATOM 919 CA GLY A 63 5.421 3.132 0.065 1.00 0.00 C ATOM 920 C GLY A 63 3.980 2.707 -0.226 1.00 0.00 C ATOM 921 O GLY A 63 3.750 1.706 -0.903 1.00 0.00 O ATOM 0 H GLY A 63 5.617 5.213 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.011 3.082 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.873 2.438 0.774 1.00 0.00 H new ATOM 925 N ASP A 64 3.048 3.488 0.300 1.00 0.00 N ATOM 926 CA ASP A 64 1.637 3.204 0.105 1.00 0.00 C ATOM 927 C ASP A 64 1.183 3.791 -1.232 1.00 0.00 C ATOM 928 O ASP A 64 1.187 5.008 -1.414 1.00 0.00 O ATOM 929 CB ASP A 64 0.790 3.837 1.211 1.00 0.00 C ATOM 930 CG ASP A 64 0.255 2.857 2.257 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.152 1.660 1.913 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.040 3.328 3.377 1.00 0.00 O ATOM 0 H ASP A 64 3.243 4.317 0.861 1.00 0.00 H new ATOM 0 HA ASP A 64 1.505 2.122 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.388 4.595 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.054 4.352 0.752 1.00 0.00 H new ATOM 937 N GLN A 65 0.803 2.900 -2.135 1.00 0.00 N ATOM 938 CA GLN A 65 0.347 3.314 -3.451 1.00 0.00 C ATOM 939 C GLN A 65 -1.003 4.026 -3.346 1.00 0.00 C ATOM 940 O GLN A 65 -1.954 3.480 -2.789 1.00 0.00 O ATOM 941 CB GLN A 65 0.265 2.120 -4.405 1.00 0.00 C ATOM 942 CG GLN A 65 0.543 2.550 -5.847 1.00 0.00 C ATOM 943 CD GLN A 65 -0.008 1.525 -6.840 1.00 0.00 C ATOM 944 OE1 GLN A 65 0.131 0.324 -6.674 1.00 0.00 O ATOM 945 NE2 GLN A 65 -0.640 2.064 -7.879 1.00 0.00 N ATOM 0 H GLN A 65 0.801 1.892 -1.981 1.00 0.00 H new ATOM 0 HA GLN A 65 1.074 4.015 -3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.985 1.359 -4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.724 1.666 -4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.089 3.523 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.617 2.665 -5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.721 3.078 -7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.044 1.463 -8.598 1.00 0.00 H new ATOM 954 N LEU A 66 -1.044 5.233 -3.889 1.00 0.00 N ATOM 955 CA LEU A 66 -2.262 6.025 -3.863 1.00 0.00 C ATOM 956 C LEU A 66 -3.204 5.541 -4.968 1.00 0.00 C ATOM 957 O LEU A 66 -3.137 6.019 -6.099 1.00 0.00 O ATOM 958 CB LEU A 66 -1.934 7.517 -3.945 1.00 0.00 C ATOM 959 CG LEU A 66 -1.157 8.099 -2.763 1.00 0.00 C ATOM 960 CD1 LEU A 66 -0.697 9.528 -3.058 1.00 0.00 C ATOM 961 CD2 LEU A 66 -1.977 8.015 -1.473 1.00 0.00 C ATOM 0 H LEU A 66 -0.253 5.683 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.784 5.889 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.359 7.693 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.868 8.069 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.260 7.497 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.147 9.917 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.050 9.528 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.566 10.158 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.402 8.435 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.903 8.577 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.211 6.972 -1.258 1.00 0.00 H new ATOM 973 N LEU A 67 -4.059 4.598 -4.601 1.00 0.00 N ATOM 974 CA LEU A 67 -5.013 4.044 -5.547 1.00 0.00 C ATOM 975 C LEU A 67 -5.881 5.172 -6.109 1.00 0.00 C ATOM 976 O LEU A 67 -5.653 5.638 -7.224 1.00 0.00 O ATOM 977 CB LEU A 67 -5.816 2.915 -4.898 1.00 0.00 C ATOM 978 CG LEU A 67 -5.079 1.586 -4.717 1.00 0.00 C ATOM 979 CD1 LEU A 67 -6.006 0.521 -4.128 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.441 1.129 -6.030 1.00 0.00 C ATOM 0 H LEU A 67 -4.111 4.203 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.494 3.590 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.158 3.254 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.706 2.735 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.270 1.739 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.458 -0.414 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.371 0.853 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.851 0.363 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.924 0.182 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.216 0.998 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.728 1.880 -6.369 1.00 0.00 H new ATOM 992 N GLU A 68 -6.858 5.577 -5.311 1.00 0.00 N ATOM 993 CA GLU A 68 -7.761 6.641 -5.715 1.00 0.00 C ATOM 994 C GLU A 68 -7.794 7.741 -4.652 1.00 0.00 C ATOM 995 O GLU A 68 -7.279 7.560 -3.550 1.00 0.00 O ATOM 996 CB GLU A 68 -9.165 6.096 -5.985 1.00 0.00 C ATOM 997 CG GLU A 68 -9.149 5.085 -7.132 1.00 0.00 C ATOM 998 CD GLU A 68 -10.262 5.380 -8.139 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.273 5.978 -7.709 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.078 5.002 -9.316 1.00 0.00 O ATOM 0 H GLU A 68 -7.044 5.187 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.390 7.073 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.555 5.623 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.837 6.918 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.182 5.115 -7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.271 4.077 -6.735 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.406 8.858 -5.020 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.513 9.986 -4.112 1.00 0.00 C ATOM 1009 C PHE A 69 -9.947 10.518 -4.066 1.00 0.00 C ATOM 1010 O PHE A 69 -10.365 11.264 -4.950 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.592 11.083 -4.651 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.620 12.376 -3.832 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.551 13.330 -4.100 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.712 12.570 -2.838 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.576 14.530 -3.340 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.738 13.770 -2.079 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.669 14.724 -2.346 1.00 0.00 C ATOM 0 H PHE A 69 -8.832 9.005 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.235 9.680 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.570 10.704 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.876 11.309 -5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.271 13.176 -4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.972 11.812 -2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.315 15.288 -3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.018 13.925 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.688 15.636 -1.768 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.661 10.113 -3.025 1.00 0.00 N ATOM 1028 CA ASN A 70 -12.039 10.540 -2.852 1.00 0.00 C ATOM 1029 C ASN A 70 -12.885 9.997 -4.006 1.00 0.00 C ATOM 1030 O ASN A 70 -14.014 10.439 -4.214 1.00 0.00 O ATOM 1031 CB ASN A 70 -12.149 12.066 -2.862 1.00 0.00 C ATOM 1032 CG ASN A 70 -13.022 12.560 -1.707 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.573 11.791 -0.937 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -13.117 13.885 -1.630 1.00 0.00 N ATOM 0 H ASN A 70 -10.311 9.494 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.392 10.160 -1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.155 12.506 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.572 12.398 -3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.677 14.314 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.630 14.471 -2.307 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.307 9.046 -4.725 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.994 8.439 -5.852 1.00 0.00 C ATOM 1043 C GLY A 71 -12.227 8.677 -7.155 1.00 0.00 C ATOM 1044 O GLY A 71 -12.469 8.002 -8.154 1.00 0.00 O ATOM 0 H GLY A 71 -11.371 8.681 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.104 7.368 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.999 8.854 -5.936 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.318 9.640 -7.101 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.515 9.975 -8.264 1.00 0.00 C ATOM 1050 C ILE A 72 -9.538 8.834 -8.551 1.00 0.00 C ATOM 1051 O ILE A 72 -8.895 8.318 -7.637 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.835 11.333 -8.072 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.751 12.473 -8.523 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.480 11.372 -8.780 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.441 13.760 -7.756 1.00 0.00 C ATOM 0 H ILE A 72 -11.120 10.198 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.148 10.082 -9.145 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.646 11.474 -7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.626 12.643 -9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.792 12.192 -8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.018 12.347 -8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.833 10.596 -8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.622 11.200 -9.847 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.106 14.555 -8.095 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.590 13.593 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.406 14.051 -7.936 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.456 8.472 -9.823 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.568 7.401 -10.241 1.00 0.00 C ATOM 1069 C ASN A 73 -7.156 7.958 -10.428 1.00 0.00 C ATOM 1070 O ASN A 73 -6.888 8.667 -11.397 1.00 0.00 O ATOM 1071 CB ASN A 73 -9.019 6.800 -11.574 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.363 5.439 -11.812 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -7.166 5.326 -12.021 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -9.210 4.415 -11.770 1.00 0.00 N ATOM 0 H ASN A 73 -9.990 8.902 -10.578 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.587 6.629 -9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.103 6.691 -11.579 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.763 7.478 -12.388 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.869 3.465 -11.918 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.200 4.579 -11.590 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.290 7.617 -9.485 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.912 8.075 -9.534 1.00 0.00 C ATOM 1083 C LEU A 74 -4.054 7.024 -10.241 1.00 0.00 C ATOM 1084 O LEU A 74 -2.980 7.336 -10.752 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.415 8.430 -8.131 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.764 9.834 -7.631 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -4.685 9.908 -6.105 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -3.883 10.889 -8.302 1.00 0.00 C ATOM 0 H LEU A 74 -6.516 7.029 -8.683 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.837 8.993 -10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.823 7.704 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.331 8.318 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.795 10.050 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.937 10.916 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.388 9.197 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.674 9.663 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.151 11.878 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.836 10.687 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.033 10.855 -9.381 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.562 5.800 -10.249 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.856 4.701 -10.886 1.00 0.00 C ATOM 1102 C ARG A 75 -3.491 5.068 -12.326 1.00 0.00 C ATOM 1103 O ARG A 75 -2.541 4.524 -12.887 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.706 3.429 -10.890 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.447 2.592 -9.635 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.434 1.427 -9.540 1.00 0.00 C ATOM 1107 NE ARG A 75 -4.697 0.147 -9.444 1.00 0.00 N ATOM 1108 CZ ARG A 75 -5.235 -0.998 -9.001 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -6.516 -1.029 -8.610 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -4.491 -2.111 -8.948 1.00 0.00 N ATOM 0 H ARG A 75 -5.454 5.545 -9.825 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.947 4.515 -10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.762 3.693 -10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.480 2.839 -11.778 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.427 2.208 -9.653 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.535 3.221 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.076 1.553 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.084 1.418 -10.415 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.719 0.135 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.082 -0.181 -8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.925 -1.900 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.515 -2.087 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.900 -2.982 -8.611 1.00 0.00 H new ATOM 1124 N SER A 76 -4.266 5.987 -12.882 1.00 0.00 N ATOM 1125 CA SER A 76 -4.037 6.433 -14.246 1.00 0.00 C ATOM 1126 C SER A 76 -3.804 7.945 -14.271 1.00 0.00 C ATOM 1127 O SER A 76 -4.357 8.648 -15.115 1.00 0.00 O ATOM 1128 CB SER A 76 -5.214 6.062 -15.152 1.00 0.00 C ATOM 1129 OG SER A 76 -5.355 4.652 -15.293 1.00 0.00 O ATOM 0 H SER A 76 -5.053 6.435 -12.413 1.00 0.00 H new ATOM 0 HA SER A 76 -3.148 5.929 -14.625 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.133 6.479 -14.741 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.071 6.512 -16.134 1.00 0.00 H new ATOM 0 HG SER A 76 -6.117 4.456 -15.877 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.984 8.400 -13.335 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.671 9.816 -13.239 1.00 0.00 C ATOM 1137 C ALA A 77 -1.154 10.004 -13.306 1.00 0.00 C ATOM 1138 O ALA A 77 -0.419 9.058 -13.589 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.272 10.385 -11.952 1.00 0.00 C ATOM 0 H ALA A 77 -2.527 7.814 -12.637 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.109 10.363 -14.074 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.038 11.447 -11.879 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.354 10.252 -11.966 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.853 9.862 -11.092 1.00 0.00 H new ATOM 1145 N THR A 78 -0.730 11.231 -13.041 1.00 0.00 N ATOM 1146 CA THR A 78 0.687 11.555 -13.069 1.00 0.00 C ATOM 1147 C THR A 78 1.104 12.231 -11.761 1.00 0.00 C ATOM 1148 O THR A 78 0.325 12.287 -10.811 1.00 0.00 O ATOM 1149 CB THR A 78 0.952 12.413 -14.307 1.00 0.00 C ATOM 1150 OG1 THR A 78 0.001 13.470 -14.208 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.578 11.696 -15.607 1.00 0.00 C ATOM 0 H THR A 78 -1.342 12.012 -12.806 1.00 0.00 H new ATOM 0 HA THR A 78 1.297 10.655 -13.143 1.00 0.00 H new ATOM 0 HB THR A 78 2.005 12.692 -14.336 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.204 14.157 -14.877 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.786 12.348 -16.455 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.165 10.782 -15.700 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.483 11.446 -15.593 1.00 0.00 H new ATOM 1159 N GLU A 79 2.333 12.726 -11.754 1.00 0.00 N ATOM 1160 CA GLU A 79 2.864 13.396 -10.579 1.00 0.00 C ATOM 1161 C GLU A 79 2.359 14.839 -10.518 1.00 0.00 C ATOM 1162 O GLU A 79 2.077 15.356 -9.438 1.00 0.00 O ATOM 1163 CB GLU A 79 4.393 13.348 -10.564 1.00 0.00 C ATOM 1164 CG GLU A 79 4.963 13.607 -11.960 1.00 0.00 C ATOM 1165 CD GLU A 79 6.413 14.088 -11.879 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.639 15.095 -11.173 1.00 0.00 O ATOM 1167 OE2 GLU A 79 7.263 13.438 -12.525 1.00 0.00 O ATOM 0 H GLU A 79 2.977 12.676 -12.544 1.00 0.00 H new ATOM 0 HA GLU A 79 2.509 12.870 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.777 14.092 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.726 12.374 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.912 12.694 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.356 14.354 -12.472 1.00 0.00 H new ATOM 1174 N GLN A 80 2.262 15.448 -11.690 1.00 0.00 N ATOM 1175 CA GLN A 80 1.797 16.822 -11.783 1.00 0.00 C ATOM 1176 C GLN A 80 0.303 16.899 -11.460 1.00 0.00 C ATOM 1177 O GLN A 80 -0.147 17.843 -10.812 1.00 0.00 O ATOM 1178 CB GLN A 80 2.090 17.407 -13.166 1.00 0.00 C ATOM 1179 CG GLN A 80 1.202 16.764 -14.233 1.00 0.00 C ATOM 1180 CD GLN A 80 1.861 16.838 -15.612 1.00 0.00 C ATOM 1181 OE1 GLN A 80 2.899 17.451 -15.801 1.00 0.00 O ATOM 1182 NE2 GLN A 80 1.203 16.181 -16.563 1.00 0.00 N ATOM 0 H GLN A 80 2.497 15.016 -12.583 1.00 0.00 H new ATOM 0 HA GLN A 80 2.339 17.420 -11.050 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.925 18.484 -13.151 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.139 17.249 -13.417 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.011 15.723 -13.973 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.236 17.269 -14.260 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.339 15.688 -16.338 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.562 16.170 -17.518 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.424 15.895 -11.927 1.00 0.00 N ATOM 1192 CA GLN A 81 -1.857 15.838 -11.696 1.00 0.00 C ATOM 1193 C GLN A 81 -2.146 15.410 -10.256 1.00 0.00 C ATOM 1194 O GLN A 81 -2.977 16.014 -9.580 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.536 14.898 -12.695 1.00 0.00 C ATOM 1196 CG GLN A 81 -2.874 15.630 -13.995 1.00 0.00 C ATOM 1197 CD GLN A 81 -1.901 15.243 -15.111 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -1.087 16.031 -15.561 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -2.031 13.987 -15.529 1.00 0.00 N ATOM 0 H GLN A 81 -0.047 15.114 -12.464 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.270 16.835 -11.847 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.880 14.054 -12.909 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.447 14.491 -12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.893 15.390 -14.297 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.835 16.707 -13.831 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.734 13.380 -15.108 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.427 13.631 -16.270 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.444 14.370 -9.830 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.614 13.854 -8.482 1.00 0.00 C ATOM 1210 C ALA A 82 -1.560 15.014 -7.486 1.00 0.00 C ATOM 1211 O ALA A 82 -2.483 15.202 -6.695 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.547 12.794 -8.202 1.00 0.00 C ATOM 0 H ALA A 82 -0.756 13.871 -10.394 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.586 13.373 -8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.675 12.407 -7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.648 11.978 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.443 13.240 -8.297 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.468 15.762 -7.557 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.281 16.898 -6.671 1.00 0.00 C ATOM 1220 C ARG A 83 -1.458 17.868 -6.795 1.00 0.00 C ATOM 1221 O ARG A 83 -1.735 18.634 -5.873 1.00 0.00 O ATOM 1222 CB ARG A 83 1.018 17.640 -6.993 1.00 0.00 C ATOM 1223 CG ARG A 83 2.238 16.820 -6.569 1.00 0.00 C ATOM 1224 CD ARG A 83 3.532 17.461 -7.073 1.00 0.00 C ATOM 1225 NE ARG A 83 3.987 18.499 -6.121 1.00 0.00 N ATOM 1226 CZ ARG A 83 3.566 19.771 -6.139 1.00 0.00 C ATOM 1227 NH1 ARG A 83 2.677 20.170 -7.060 1.00 0.00 N ATOM 1228 NH2 ARG A 83 4.033 20.644 -5.237 1.00 0.00 N ATOM 0 H ARG A 83 0.296 15.603 -8.214 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.226 16.517 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.068 17.846 -8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.027 18.603 -6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.267 16.740 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.153 15.806 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.303 16.700 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.370 17.903 -8.056 1.00 0.00 H new ATOM 0 HE ARG A 83 4.663 18.229 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.321 19.505 -7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.357 21.138 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.709 20.341 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.712 21.612 -5.251 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.119 17.803 -7.941 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.260 18.665 -8.198 1.00 0.00 C ATOM 1244 C LEU A 84 -4.524 18.011 -7.638 1.00 0.00 C ATOM 1245 O LEU A 84 -5.375 18.687 -7.062 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.350 19.005 -9.687 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.357 20.051 -10.198 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.210 19.970 -11.718 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -2.752 21.455 -9.734 1.00 0.00 C ATOM 0 H LEU A 84 -1.886 17.166 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.141 19.619 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.207 18.088 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.359 19.358 -9.898 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.379 19.833 -9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.499 20.724 -12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.849 18.980 -11.996 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.178 20.148 -12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.030 22.179 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.743 21.699 -10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.764 21.488 -8.645 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.608 16.702 -7.828 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.755 15.949 -7.349 1.00 0.00 C ATOM 1263 C ILE A 85 -5.751 15.940 -5.819 1.00 0.00 C ATOM 1264 O ILE A 85 -6.776 16.201 -5.191 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.776 14.552 -7.972 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.871 14.632 -9.497 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -6.897 13.701 -7.372 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.779 13.241 -10.127 1.00 0.00 C ATOM 0 H ILE A 85 -3.901 16.144 -8.307 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.683 16.427 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.834 14.058 -7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.812 15.102 -9.782 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.070 15.263 -9.882 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.890 12.713 -7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.743 13.602 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.858 14.181 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.849 13.327 -11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.826 12.783 -9.860 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.596 12.620 -9.759 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.587 15.638 -5.264 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.437 15.592 -3.819 1.00 0.00 C ATOM 1282 C ILE A 86 -4.583 17.005 -3.250 1.00 0.00 C ATOM 1283 O ILE A 86 -4.886 17.174 -2.070 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.122 14.909 -3.439 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.923 15.794 -3.788 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.017 13.524 -4.080 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.618 14.999 -3.724 1.00 0.00 C ATOM 0 H ILE A 86 -3.739 15.423 -5.788 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.225 14.986 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.113 14.765 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.052 16.209 -4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.874 16.636 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.073 13.061 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.844 12.902 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.059 13.621 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.218 15.651 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.480 14.606 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.660 14.173 -4.433 1.00 0.00 H new ATOM 1299 N GLY A 87 -4.361 17.983 -4.116 1.00 0.00 N ATOM 1300 CA GLY A 87 -4.465 19.375 -3.715 1.00 0.00 C ATOM 1301 C GLY A 87 -5.875 19.914 -3.963 1.00 0.00 C ATOM 1302 O GLY A 87 -6.103 21.121 -3.899 1.00 0.00 O ATOM 0 H GLY A 87 -4.110 17.838 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.215 19.472 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.741 19.972 -4.270 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.786 18.993 -4.242 1.00 0.00 N ATOM 1307 CA GLN A 88 -8.168 19.360 -4.500 1.00 0.00 C ATOM 1308 C GLN A 88 -8.739 20.142 -3.315 1.00 0.00 C ATOM 1309 O GLN A 88 -8.052 20.356 -2.318 1.00 0.00 O ATOM 1310 CB GLN A 88 -9.016 18.124 -4.802 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.721 17.585 -6.203 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.685 18.180 -7.233 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.838 18.462 -6.952 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.149 18.352 -8.438 1.00 0.00 N ATOM 0 H GLN A 88 -6.594 17.993 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.195 20.002 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.814 17.350 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.073 18.375 -4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.694 17.824 -6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.807 16.498 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.176 18.094 -8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.711 18.742 -9.195 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.992 20.547 -3.464 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.664 21.300 -2.419 1.00 0.00 C ATOM 1325 C GLN A 89 -11.795 20.469 -1.809 1.00 0.00 C ATOM 1326 O GLN A 89 -12.591 19.872 -2.532 1.00 0.00 O ATOM 1327 CB GLN A 89 -11.191 22.633 -2.955 1.00 0.00 C ATOM 1328 CG GLN A 89 -10.114 23.363 -3.761 1.00 0.00 C ATOM 1329 CD GLN A 89 -10.408 23.291 -5.261 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -11.129 24.102 -5.818 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.812 22.276 -5.880 1.00 0.00 N ATOM 0 H GLN A 89 -10.559 20.368 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.939 21.522 -1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.064 22.457 -3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.517 23.260 -2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.063 24.405 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.139 22.921 -3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.221 21.633 -5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.946 22.140 -6.882 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.830 20.458 -0.485 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.850 19.710 0.230 1.00 0.00 C ATOM 1342 C CYS A 90 -12.426 19.600 1.696 1.00 0.00 C ATOM 1343 O CYS A 90 -11.444 18.930 2.014 1.00 0.00 O ATOM 1344 CB CYS A 90 -13.090 18.336 -0.399 1.00 0.00 C ATOM 1345 SG CYS A 90 -14.636 18.357 -1.377 1.00 0.00 S ATOM 0 H CYS A 90 -11.169 20.955 0.112 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.802 20.237 0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -12.249 18.068 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -13.153 17.576 0.380 1.00 0.00 H new ATOM 0 HG CYS A 90 -14.456 19.057 -2.458 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.187 20.267 2.551 1.00 0.00 N ATOM 1352 CA ASP A 91 -12.902 20.252 3.976 1.00 0.00 C ATOM 1353 C ASP A 91 -12.551 18.827 4.407 1.00 0.00 C ATOM 1354 O ASP A 91 -11.543 18.608 5.077 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.119 20.705 4.785 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.287 22.220 4.909 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -13.275 22.922 4.696 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -15.423 22.643 5.214 1.00 0.00 O ATOM 0 H ASP A 91 -14.001 20.821 2.285 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.072 20.933 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.016 20.292 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.050 20.279 5.786 1.00 0.00 H new ATOM 1363 N THR A 92 -13.402 17.894 4.005 1.00 0.00 N ATOM 1364 CA THR A 92 -13.194 16.496 4.341 1.00 0.00 C ATOM 1365 C THR A 92 -13.232 15.633 3.078 1.00 0.00 C ATOM 1366 O THR A 92 -14.226 15.628 2.355 1.00 0.00 O ATOM 1367 CB THR A 92 -14.244 16.099 5.380 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.414 17.273 6.169 1.00 0.00 O ATOM 1369 CG2 THR A 92 -13.722 15.056 6.371 1.00 0.00 C ATOM 0 H THR A 92 -14.237 18.079 3.450 1.00 0.00 H new ATOM 0 HA THR A 92 -12.208 16.336 4.777 1.00 0.00 H new ATOM 0 HB THR A 92 -15.126 15.708 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.080 17.104 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.506 14.809 7.087 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.428 14.156 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.860 15.459 6.902 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.136 14.923 2.853 1.00 0.00 N ATOM 1378 CA ILE A 93 -12.031 14.058 1.690 1.00 0.00 C ATOM 1379 C ILE A 93 -11.434 12.714 2.113 1.00 0.00 C ATOM 1380 O ILE A 93 -10.696 12.639 3.094 1.00 0.00 O ATOM 1381 CB ILE A 93 -11.250 14.754 0.573 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.405 13.749 -0.213 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -10.405 15.902 1.128 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -9.179 13.315 0.592 1.00 0.00 C ATOM 0 H ILE A 93 -11.313 14.929 3.456 1.00 0.00 H new ATOM 0 HA ILE A 93 -13.018 13.853 1.276 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.966 15.189 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -11.009 12.876 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -10.087 14.195 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.860 16.380 0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -11.055 16.634 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.697 15.512 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.596 12.601 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.565 14.187 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.501 12.848 1.522 1.00 0.00 H new ATOM 1396 N THR A 94 -11.776 11.685 1.351 1.00 0.00 N ATOM 1397 CA THR A 94 -11.284 10.348 1.634 1.00 0.00 C ATOM 1398 C THR A 94 -10.272 9.916 0.571 1.00 0.00 C ATOM 1399 O THR A 94 -10.251 10.464 -0.530 1.00 0.00 O ATOM 1400 CB THR A 94 -12.490 9.413 1.739 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.488 10.204 2.379 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.251 8.256 2.712 1.00 0.00 C ATOM 0 H THR A 94 -12.388 11.751 0.538 1.00 0.00 H new ATOM 0 HA THR A 94 -10.746 10.317 2.582 1.00 0.00 H new ATOM 0 HB THR A 94 -12.727 9.015 0.753 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.306 9.675 2.485 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.137 7.623 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.398 7.667 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.047 8.653 3.706 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.457 8.938 0.938 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.444 8.427 0.030 1.00 0.00 C ATOM 1412 C ILE A 95 -8.416 6.899 0.113 1.00 0.00 C ATOM 1413 O ILE A 95 -8.783 6.323 1.136 1.00 0.00 O ATOM 1414 CB ILE A 95 -7.091 9.084 0.311 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -7.133 10.581 -0.002 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.968 8.371 -0.444 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -6.324 11.378 1.023 1.00 0.00 C ATOM 0 H ILE A 95 -9.478 8.486 1.852 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.689 8.686 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.877 8.984 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.736 10.759 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.167 10.927 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.017 8.858 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.922 7.329 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.163 8.418 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.370 12.439 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.739 11.217 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.286 11.046 1.005 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.976 6.288 -0.977 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.894 4.838 -1.040 1.00 0.00 C ATOM 1431 C LEU A 96 -6.436 4.422 -1.244 1.00 0.00 C ATOM 1432 O LEU A 96 -5.834 4.739 -2.268 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.844 4.294 -2.109 1.00 0.00 C ATOM 1434 CG LEU A 96 -9.058 2.779 -2.108 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -7.891 2.061 -2.789 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.301 2.261 -0.690 1.00 0.00 C ATOM 0 H LEU A 96 -7.673 6.770 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.223 4.397 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.813 4.778 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.464 4.587 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.954 2.559 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.068 0.985 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.807 2.402 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.966 2.284 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.450 1.182 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.438 2.492 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.188 2.739 -0.275 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.911 3.718 -0.252 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.535 3.255 -0.309 1.00 0.00 C ATOM 1450 C ALA A 97 -4.516 1.726 -0.322 1.00 0.00 C ATOM 1451 O ALA A 97 -5.565 1.088 -0.245 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.750 3.838 0.868 1.00 0.00 C ATOM 0 H ALA A 97 -6.414 3.457 0.596 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.053 3.598 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.718 3.490 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.769 4.927 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.203 3.513 1.804 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.312 1.181 -0.420 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.142 -0.262 -0.444 1.00 0.00 C ATOM 1460 C GLN A 98 -1.656 -0.622 -0.419 1.00 0.00 C ATOM 1461 O GLN A 98 -1.066 -0.912 -1.458 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.834 -0.875 -1.663 1.00 0.00 C ATOM 1463 CG GLN A 98 -4.024 -2.382 -1.486 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.491 -3.034 -2.789 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -4.460 -2.441 -3.855 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.925 -4.283 -2.645 1.00 0.00 N ATOM 0 H GLN A 98 -2.444 1.713 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.612 -0.678 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.802 -0.398 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.241 -0.682 -2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.086 -2.835 -1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.755 -2.570 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.924 -4.720 -1.723 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.259 -4.804 -3.456 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.093 -0.592 0.780 1.00 0.00 N ATOM 1476 CA TYR A 99 0.314 -0.913 0.955 1.00 0.00 C ATOM 1477 C TYR A 99 0.722 -2.090 0.067 1.00 0.00 C ATOM 1478 O TYR A 99 0.110 -3.155 0.122 1.00 0.00 O ATOM 1479 CB TYR A 99 0.476 -1.315 2.422 1.00 0.00 C ATOM 1480 CG TYR A 99 1.930 -1.498 2.860 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.598 -2.669 2.566 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.574 -0.491 3.550 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.967 -2.840 2.978 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.943 -0.662 3.963 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.572 -1.829 3.657 1.00 0.00 C ATOM 1486 OH TYR A 99 5.865 -1.991 4.046 1.00 0.00 O ATOM 0 H TYR A 99 -1.585 -0.350 1.640 1.00 0.00 H new ATOM 0 HA TYR A 99 0.939 -0.062 0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.011 -0.555 3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.065 -2.246 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.094 -3.457 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.051 0.425 3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.502 -3.751 2.753 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.459 0.118 4.503 1.00 0.00 H new ATOM 0 HH TYR A 99 6.167 -1.188 4.520 1.00 0.00 H new ATOM 1496 N ASN A 100 1.755 -1.858 -0.730 1.00 0.00 N ATOM 1497 CA ASN A 100 2.252 -2.885 -1.628 1.00 0.00 C ATOM 1498 C ASN A 100 3.738 -3.123 -1.351 1.00 0.00 C ATOM 1499 O ASN A 100 4.579 -2.295 -1.698 1.00 0.00 O ATOM 1500 CB ASN A 100 2.107 -2.457 -3.090 1.00 0.00 C ATOM 1501 CG ASN A 100 2.031 -3.675 -4.013 1.00 0.00 C ATOM 1502 OD1 ASN A 100 2.005 -4.815 -3.579 1.00 0.00 O ATOM 1503 ND2 ASN A 100 1.997 -3.371 -5.308 1.00 0.00 N ATOM 0 H ASN A 100 2.261 -0.973 -0.772 1.00 0.00 H new ATOM 0 HA ASN A 100 1.670 -3.791 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.209 -1.850 -3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.953 -1.832 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.946 -4.114 -6.005 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.022 -2.395 -5.604 1.00 0.00 H new ATOM 1510 N PRO A 101 4.024 -4.289 -0.711 1.00 0.00 N ATOM 1511 CA PRO A 101 5.394 -4.646 -0.383 1.00 0.00 C ATOM 1512 C PRO A 101 6.154 -5.104 -1.629 1.00 0.00 C ATOM 1513 O PRO A 101 6.726 -6.193 -1.647 1.00 0.00 O ATOM 1514 CB PRO A 101 5.275 -5.734 0.672 1.00 0.00 C ATOM 1515 CG PRO A 101 3.857 -6.270 0.560 1.00 0.00 C ATOM 1516 CD PRO A 101 3.054 -5.294 -0.285 1.00 0.00 C ATOM 0 HA PRO A 101 5.969 -3.802 -0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.006 -6.525 0.502 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.464 -5.334 1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.858 -7.259 0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.410 -6.376 1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.598 -5.792 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.245 -4.845 0.290 1.00 0.00 H new