USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 21 SER OG : rot 117:sc= -1.25 USER MOD Set 1.2: A 52 MET CE :methyl 163:sc= -2.19! (180deg=-1.24) USER MOD Set 1.3: A 88 TYR OH : rot 180:sc= 0.0759 USER MOD Set 2.1: A 36 MET CE :methyl -160:sc= -9.07! (180deg=-11.8!) USER MOD Set 2.2: A 57 TYR OH : rot -5:sc= -0.734 USER MOD Single : A 26 SER OG : rot 137:sc= 0.0635 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00246 X(o=-0.0025,f=-0.052) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.069) USER MOD Single : A 43 CYS SG : rot -44:sc= 0.194 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -158:sc= -6.89! (180deg=-8.41!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 168:sc= -1.13 (180deg=-2.08!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -62:sc= 0.0378 USER MOD Single : A 78 HIS : no HD1:sc= -0.475 X(o=-0.48,f=-0.00046) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -18:sc= -0.61 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 16 -8.205 9.287 -4.378 1.00 0.00 N ATOM 187 CA PHE A 16 -8.607 7.997 -3.843 1.00 0.00 C ATOM 188 C PHE A 16 -7.386 7.135 -3.516 1.00 0.00 C ATOM 189 O PHE A 16 -6.744 6.596 -4.415 1.00 0.00 O ATOM 190 CB PHE A 16 -9.433 7.302 -4.926 1.00 0.00 C ATOM 191 CG PHE A 16 -10.379 8.235 -5.683 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.550 8.627 -5.111 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.051 8.674 -6.928 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.428 9.494 -5.814 1.00 0.00 C ATOM 195 CE2 PHE A 16 -10.929 9.541 -7.630 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.100 9.932 -7.058 1.00 0.00 C ATOM 0 HA PHE A 16 -9.176 8.136 -2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.756 6.832 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.017 6.504 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.812 8.279 -4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.122 8.363 -7.383 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.357 9.805 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.667 9.890 -8.618 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.769 10.590 -7.593 1.00 0.00 H new ATOM 206 N ARG A 17 -7.104 7.031 -2.225 1.00 0.00 N ATOM 207 CA ARG A 17 -5.972 6.243 -1.768 1.00 0.00 C ATOM 208 C ARG A 17 -6.418 5.242 -0.701 1.00 0.00 C ATOM 209 O ARG A 17 -7.589 5.212 -0.323 1.00 0.00 O ATOM 210 CB ARG A 17 -4.875 7.139 -1.190 1.00 0.00 C ATOM 211 CG ARG A 17 -5.343 7.816 0.100 1.00 0.00 C ATOM 212 CD ARG A 17 -4.233 7.815 1.153 1.00 0.00 C ATOM 213 NE ARG A 17 -3.517 9.110 1.135 1.00 0.00 N ATOM 214 CZ ARG A 17 -4.098 10.293 1.379 1.00 0.00 C ATOM 215 NH1 ARG A 17 -5.407 10.351 1.661 1.00 0.00 N ATOM 216 NH2 ARG A 17 -3.370 11.417 1.341 1.00 0.00 N ATOM 0 H ARG A 17 -7.640 7.479 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.572 5.707 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.983 6.545 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.596 7.897 -1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.647 8.841 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.219 7.298 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.658 7.639 2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.535 7.001 0.957 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.519 9.102 0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.961 9.495 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.849 11.251 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.374 11.372 1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.812 12.317 1.527 1.00 0.00 H new ATOM 230 N VAL A 18 -5.462 4.445 -0.245 1.00 0.00 N ATOM 231 CA VAL A 18 -5.743 3.445 0.771 1.00 0.00 C ATOM 232 C VAL A 18 -4.592 3.413 1.779 1.00 0.00 C ATOM 233 O VAL A 18 -3.440 3.202 1.405 1.00 0.00 O ATOM 234 CB VAL A 18 -5.999 2.088 0.113 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.338 2.083 -0.628 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.852 1.708 -0.825 1.00 0.00 C ATOM 0 H VAL A 18 -4.492 4.472 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.650 3.701 1.319 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.049 1.337 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.496 1.107 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.144 2.288 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.328 2.851 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.059 0.739 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.756 2.462 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.922 1.652 -0.259 1.00 0.00 H new ATOM 246 N LEU A 19 -4.945 3.625 3.039 1.00 0.00 N ATOM 247 CA LEU A 19 -3.957 3.623 4.104 1.00 0.00 C ATOM 248 C LEU A 19 -3.696 2.182 4.548 1.00 0.00 C ATOM 249 O LEU A 19 -4.629 1.454 4.883 1.00 0.00 O ATOM 250 CB LEU A 19 -4.393 4.548 5.241 1.00 0.00 C ATOM 251 CG LEU A 19 -4.390 6.046 4.926 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.553 6.875 6.202 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.135 6.439 4.144 1.00 0.00 C ATOM 0 H LEU A 19 -5.902 3.799 3.346 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.009 4.023 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.399 4.264 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.738 4.375 6.095 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.248 6.263 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.548 7.935 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.498 6.621 6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.730 6.660 6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.158 7.508 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.250 6.204 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.102 5.885 3.206 1.00 0.00 H new ATOM 265 N VAL A 20 -2.423 1.815 4.538 1.00 0.00 N ATOM 266 CA VAL A 20 -2.028 0.474 4.936 1.00 0.00 C ATOM 267 C VAL A 20 -1.200 0.552 6.220 1.00 0.00 C ATOM 268 O VAL A 20 -0.231 1.306 6.293 1.00 0.00 O ATOM 269 CB VAL A 20 -1.289 -0.216 3.788 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.578 -1.481 4.276 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.241 -0.532 2.634 1.00 0.00 C ATOM 0 H VAL A 20 -1.652 2.422 4.261 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.906 -0.135 5.152 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.530 0.472 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.060 -1.953 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.144 -1.217 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.311 -2.175 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.690 -1.022 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.033 -1.193 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.680 0.393 2.260 1.00 0.00 H new ATOM 281 N SER A 21 -1.612 -0.238 7.201 1.00 0.00 N ATOM 282 CA SER A 21 -0.920 -0.269 8.478 1.00 0.00 C ATOM 283 C SER A 21 -0.744 -1.715 8.944 1.00 0.00 C ATOM 284 O SER A 21 -1.581 -2.570 8.655 1.00 0.00 O ATOM 285 CB SER A 21 -1.676 0.541 9.534 1.00 0.00 C ATOM 286 OG SER A 21 -1.094 1.825 9.739 1.00 0.00 O ATOM 0 H SER A 21 -2.417 -0.862 7.137 1.00 0.00 H new ATOM 0 HA SER A 21 0.062 0.185 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.715 0.659 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.683 -0.008 10.475 1.00 0.00 H new ATOM 0 HG SER A 21 -1.736 2.520 9.482 1.00 0.00 H new ATOM 292 N GLY A 22 0.348 -1.945 9.657 1.00 0.00 N ATOM 293 CA GLY A 22 0.644 -3.274 10.166 1.00 0.00 C ATOM 294 C GLY A 22 1.585 -4.026 9.222 1.00 0.00 C ATOM 295 O GLY A 22 1.522 -5.250 9.122 1.00 0.00 O ATOM 0 H GLY A 22 1.039 -1.234 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.099 -3.196 11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.282 -3.836 10.286 1.00 0.00 H new ATOM 299 N LEU A 23 2.435 -3.261 8.553 1.00 0.00 N ATOM 300 CA LEU A 23 3.388 -3.839 7.621 1.00 0.00 C ATOM 301 C LEU A 23 4.546 -4.462 8.403 1.00 0.00 C ATOM 302 O LEU A 23 4.797 -4.091 9.548 1.00 0.00 O ATOM 303 CB LEU A 23 3.830 -2.797 6.591 1.00 0.00 C ATOM 304 CG LEU A 23 2.852 -2.529 5.446 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.820 -1.042 5.090 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.177 -3.402 4.232 1.00 0.00 C ATOM 0 H LEU A 23 2.484 -2.246 8.638 1.00 0.00 H new ATOM 0 HA LEU A 23 2.922 -4.641 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.016 -1.857 7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.780 -3.118 6.163 1.00 0.00 H new ATOM 0 HG LEU A 23 1.851 -2.802 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.117 -0.878 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.505 -0.466 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.815 -0.720 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.467 -3.192 3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.188 -3.183 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.108 -4.453 4.511 1.00 0.00 H new ATOM 318 N PRO A 24 5.240 -5.423 7.735 1.00 0.00 N ATOM 319 CA PRO A 24 6.366 -6.100 8.355 1.00 0.00 C ATOM 320 C PRO A 24 7.596 -5.193 8.396 1.00 0.00 C ATOM 321 O PRO A 24 7.610 -4.130 7.776 1.00 0.00 O ATOM 322 CB PRO A 24 6.579 -7.353 7.520 1.00 0.00 C ATOM 323 CG PRO A 24 5.873 -7.098 6.198 1.00 0.00 C ATOM 324 CD PRO A 24 4.971 -5.888 6.377 1.00 0.00 C ATOM 0 HA PRO A 24 6.180 -6.358 9.397 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.641 -7.543 7.365 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.168 -8.230 8.020 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.600 -6.918 5.406 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.289 -7.970 5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.195 -5.115 5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.922 -6.154 6.250 1.00 0.00 H new ATOM 332 N PRO A 25 8.627 -5.656 9.153 1.00 0.00 N ATOM 333 CA PRO A 25 9.860 -4.898 9.284 1.00 0.00 C ATOM 334 C PRO A 25 10.703 -4.999 8.011 1.00 0.00 C ATOM 335 O PRO A 25 11.648 -4.234 7.826 1.00 0.00 O ATOM 336 CB PRO A 25 10.553 -5.482 10.504 1.00 0.00 C ATOM 337 CG PRO A 25 9.916 -6.843 10.734 1.00 0.00 C ATOM 338 CD PRO A 25 8.646 -6.910 9.901 1.00 0.00 C ATOM 0 HA PRO A 25 9.686 -3.830 9.415 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.626 -5.576 10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.422 -4.838 11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.603 -7.639 10.447 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.688 -6.984 11.790 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.656 -7.770 9.232 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.763 -7.008 10.532 1.00 0.00 H new ATOM 346 N SER A 26 10.331 -5.950 7.167 1.00 0.00 N ATOM 347 CA SER A 26 11.041 -6.161 5.917 1.00 0.00 C ATOM 348 C SER A 26 10.147 -5.777 4.736 1.00 0.00 C ATOM 349 O SER A 26 10.613 -5.699 3.600 1.00 0.00 O ATOM 350 CB SER A 26 11.502 -7.613 5.783 1.00 0.00 C ATOM 351 OG SER A 26 12.104 -8.095 6.982 1.00 0.00 O ATOM 0 H SER A 26 9.547 -6.583 7.324 1.00 0.00 H new ATOM 0 HA SER A 26 11.927 -5.526 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.649 -8.242 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.215 -7.693 4.962 1.00 0.00 H new ATOM 0 HG SER A 26 11.782 -9.002 7.168 1.00 0.00 H new ATOM 357 N GLY A 27 8.880 -5.546 5.044 1.00 0.00 N ATOM 358 CA GLY A 27 7.917 -5.172 4.023 1.00 0.00 C ATOM 359 C GLY A 27 8.419 -3.980 3.206 1.00 0.00 C ATOM 360 O GLY A 27 9.125 -3.119 3.728 1.00 0.00 O ATOM 0 H GLY A 27 8.497 -5.611 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.735 -6.019 3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.965 -4.922 4.491 1.00 0.00 H new ATOM 364 N SER A 28 8.036 -3.970 1.937 1.00 0.00 N ATOM 365 CA SER A 28 8.439 -2.898 1.043 1.00 0.00 C ATOM 366 C SER A 28 7.210 -2.304 0.351 1.00 0.00 C ATOM 367 O SER A 28 6.083 -2.719 0.616 1.00 0.00 O ATOM 368 CB SER A 28 9.445 -3.396 0.004 1.00 0.00 C ATOM 369 OG SER A 28 8.911 -4.450 -0.793 1.00 0.00 O ATOM 0 H SER A 28 7.451 -4.687 1.507 1.00 0.00 H new ATOM 0 HA SER A 28 8.924 -2.123 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.741 -2.568 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.346 -3.744 0.509 1.00 0.00 H new ATOM 0 HG SER A 28 9.583 -4.739 -1.445 1.00 0.00 H new ATOM 375 N TRP A 29 7.470 -1.343 -0.524 1.00 0.00 N ATOM 376 CA TRP A 29 6.399 -0.689 -1.256 1.00 0.00 C ATOM 377 C TRP A 29 6.204 -1.437 -2.576 1.00 0.00 C ATOM 378 O TRP A 29 5.093 -1.497 -3.101 1.00 0.00 O ATOM 379 CB TRP A 29 6.698 0.799 -1.451 1.00 0.00 C ATOM 380 CG TRP A 29 8.002 1.080 -2.199 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.173 1.489 -1.692 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.223 0.953 -3.620 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.128 1.636 -2.678 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.531 1.299 -3.888 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.345 0.560 -4.645 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.080 1.287 -5.176 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.908 0.552 -5.927 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.224 0.898 -6.213 1.00 0.00 C ATOM 0 H TRP A 29 8.406 -1.002 -0.742 1.00 0.00 H new ATOM 0 HA TRP A 29 5.467 -0.728 -0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.873 1.256 -1.997 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.740 1.281 -0.474 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.348 1.680 -0.643 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.093 1.936 -2.544 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.317 0.286 -4.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.108 1.563 -5.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.276 0.256 -6.751 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.584 0.867 -7.231 1.00 0.00 H new ATOM 399 N GLN A 30 7.300 -1.987 -3.076 1.00 0.00 N ATOM 400 CA GLN A 30 7.263 -2.729 -4.325 1.00 0.00 C ATOM 401 C GLN A 30 6.248 -3.870 -4.235 1.00 0.00 C ATOM 402 O GLN A 30 5.252 -3.878 -4.957 1.00 0.00 O ATOM 403 CB GLN A 30 8.652 -3.258 -4.690 1.00 0.00 C ATOM 404 CG GLN A 30 9.600 -2.110 -5.043 1.00 0.00 C ATOM 405 CD GLN A 30 10.952 -2.644 -5.523 1.00 0.00 C ATOM 406 OE1 GLN A 30 11.542 -3.533 -4.932 1.00 0.00 O ATOM 407 NE2 GLN A 30 11.406 -2.053 -6.624 1.00 0.00 N ATOM 0 H GLN A 30 8.220 -1.934 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 30 6.948 -2.051 -5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.060 -3.827 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.574 -3.943 -5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.153 -1.490 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.745 -1.472 -4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.860 -1.315 -7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.300 -2.338 -7.024 1.00 0.00 H new ATOM 416 N ASP A 31 6.535 -4.805 -3.342 1.00 0.00 N ATOM 417 CA ASP A 31 5.660 -5.949 -3.148 1.00 0.00 C ATOM 418 C ASP A 31 4.275 -5.458 -2.719 1.00 0.00 C ATOM 419 O ASP A 31 3.259 -5.955 -3.203 1.00 0.00 O ATOM 420 CB ASP A 31 6.195 -6.872 -2.052 1.00 0.00 C ATOM 421 CG ASP A 31 6.245 -8.356 -2.424 1.00 0.00 C ATOM 422 OD1 ASP A 31 6.208 -8.637 -3.641 1.00 0.00 O ATOM 423 OD2 ASP A 31 6.319 -9.175 -1.483 1.00 0.00 O ATOM 0 H ASP A 31 7.361 -4.794 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 31 5.609 -6.498 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.200 -6.546 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.573 -6.756 -1.164 1.00 0.00 H new ATOM 428 N LEU A 32 4.280 -4.490 -1.814 1.00 0.00 N ATOM 429 CA LEU A 32 3.037 -3.928 -1.314 1.00 0.00 C ATOM 430 C LEU A 32 2.164 -3.500 -2.496 1.00 0.00 C ATOM 431 O LEU A 32 0.993 -3.869 -2.572 1.00 0.00 O ATOM 432 CB LEU A 32 3.321 -2.800 -0.320 1.00 0.00 C ATOM 433 CG LEU A 32 2.113 -1.965 0.111 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.451 -1.098 1.325 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.578 -1.133 -1.056 1.00 0.00 C ATOM 0 H LEU A 32 5.125 -4.081 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 32 2.476 -4.679 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.774 -3.234 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.061 -2.132 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 32 1.317 -2.646 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.576 -0.515 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.749 -1.737 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.270 -0.424 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.720 -0.549 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.359 -0.461 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.274 -1.796 -1.866 1.00 0.00 H new ATOM 447 N LYS A 33 2.767 -2.728 -3.387 1.00 0.00 N ATOM 448 CA LYS A 33 2.060 -2.247 -4.561 1.00 0.00 C ATOM 449 C LYS A 33 1.500 -3.440 -5.339 1.00 0.00 C ATOM 450 O LYS A 33 0.287 -3.570 -5.495 1.00 0.00 O ATOM 451 CB LYS A 33 2.963 -1.337 -5.396 1.00 0.00 C ATOM 452 CG LYS A 33 2.166 -0.632 -6.496 1.00 0.00 C ATOM 453 CD LYS A 33 3.093 -0.111 -7.596 1.00 0.00 C ATOM 454 CE LYS A 33 2.818 1.365 -7.892 1.00 0.00 C ATOM 455 NZ LYS A 33 4.084 2.086 -8.152 1.00 0.00 N ATOM 0 H LYS A 33 3.738 -2.423 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 33 1.210 -1.631 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.434 -0.595 -4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.764 -1.925 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.440 -1.323 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.602 0.197 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.132 -0.237 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.954 -0.699 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.159 1.452 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.300 1.821 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.879 3.086 -8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.700 2.018 -7.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.564 1.661 -8.971 1.00 0.00 H new ATOM 469 N ASP A 34 2.412 -4.280 -5.807 1.00 0.00 N ATOM 470 CA ASP A 34 2.025 -5.458 -6.565 1.00 0.00 C ATOM 471 C ASP A 34 0.796 -6.097 -5.914 1.00 0.00 C ATOM 472 O ASP A 34 -0.007 -6.736 -6.591 1.00 0.00 O ATOM 473 CB ASP A 34 3.147 -6.497 -6.579 1.00 0.00 C ATOM 474 CG ASP A 34 4.459 -6.024 -7.207 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.519 -4.827 -7.563 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.373 -6.870 -7.317 1.00 0.00 O ATOM 0 H ASP A 34 3.417 -4.168 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 34 1.810 -5.146 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.345 -6.810 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.800 -7.377 -7.120 1.00 0.00 H new ATOM 481 N HIS A 35 0.689 -5.901 -4.608 1.00 0.00 N ATOM 482 CA HIS A 35 -0.428 -6.451 -3.859 1.00 0.00 C ATOM 483 C HIS A 35 -1.629 -5.509 -3.964 1.00 0.00 C ATOM 484 O HIS A 35 -2.679 -5.893 -4.478 1.00 0.00 O ATOM 485 CB HIS A 35 -0.023 -6.735 -2.411 1.00 0.00 C ATOM 486 CG HIS A 35 -1.066 -7.486 -1.618 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.787 -8.654 -0.930 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.388 -7.223 -1.409 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.899 -9.067 -0.339 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.890 -8.179 -0.638 1.00 0.00 N ATOM 0 H HIS A 35 1.357 -5.369 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.722 -7.409 -4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.903 -7.310 -2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.188 -5.790 -1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.934 -6.379 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.002 -9.951 0.272 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.858 -8.240 -0.321 1.00 0.00 H new ATOM 498 N MET A 36 -1.435 -4.295 -3.471 1.00 0.00 N ATOM 499 CA MET A 36 -2.489 -3.296 -3.503 1.00 0.00 C ATOM 500 C MET A 36 -3.082 -3.170 -4.908 1.00 0.00 C ATOM 501 O MET A 36 -4.292 -3.017 -5.063 1.00 0.00 O ATOM 502 CB MET A 36 -1.925 -1.944 -3.064 1.00 0.00 C ATOM 503 CG MET A 36 -1.637 -1.932 -1.561 1.00 0.00 C ATOM 504 SD MET A 36 -3.131 -2.286 -0.650 1.00 0.00 S ATOM 505 CE MET A 36 -4.333 -1.500 -1.710 1.00 0.00 C ATOM 0 H MET A 36 -0.562 -3.980 -3.047 1.00 0.00 H new ATOM 0 HA MET A 36 -3.280 -3.608 -2.821 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.009 -1.732 -3.615 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.634 -1.153 -3.308 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.872 -2.671 -1.323 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.243 -0.960 -1.266 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.246 -1.309 -1.146 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.931 -0.557 -2.080 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.558 -2.154 -2.553 1.00 0.00 H new ATOM 515 N ARG A 37 -2.201 -3.240 -5.896 1.00 0.00 N ATOM 516 CA ARG A 37 -2.622 -3.136 -7.282 1.00 0.00 C ATOM 517 C ARG A 37 -3.878 -3.977 -7.520 1.00 0.00 C ATOM 518 O ARG A 37 -4.649 -3.701 -8.438 1.00 0.00 O ATOM 519 CB ARG A 37 -1.516 -3.603 -8.230 1.00 0.00 C ATOM 520 CG ARG A 37 -0.203 -2.872 -7.944 1.00 0.00 C ATOM 521 CD ARG A 37 0.245 -2.055 -9.158 1.00 0.00 C ATOM 522 NE ARG A 37 0.437 -2.946 -10.324 1.00 0.00 N ATOM 523 CZ ARG A 37 1.039 -2.575 -11.462 1.00 0.00 C ATOM 524 NH1 ARG A 37 1.511 -1.328 -11.595 1.00 0.00 N ATOM 525 NH2 ARG A 37 1.168 -3.450 -12.469 1.00 0.00 N ATOM 0 H ARG A 37 -1.198 -3.367 -5.763 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.839 -2.087 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.369 -4.678 -8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.818 -3.425 -9.262 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.329 -2.214 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.570 -3.594 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.500 -1.294 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.174 -1.532 -8.932 1.00 0.00 H new ATOM 0 HE ARG A 37 0.089 -3.903 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.412 -0.661 -10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.969 -1.046 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.808 -4.399 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.626 -3.167 -13.335 1.00 0.00 H new ATOM 539 N GLU A 38 -4.044 -4.986 -6.678 1.00 0.00 N ATOM 540 CA GLU A 38 -5.193 -5.869 -6.785 1.00 0.00 C ATOM 541 C GLU A 38 -6.404 -5.102 -7.322 1.00 0.00 C ATOM 542 O GLU A 38 -7.157 -5.620 -8.145 1.00 0.00 O ATOM 543 CB GLU A 38 -5.511 -6.521 -5.438 1.00 0.00 C ATOM 544 CG GLU A 38 -5.092 -7.993 -5.430 1.00 0.00 C ATOM 545 CD GLU A 38 -5.684 -8.738 -6.628 1.00 0.00 C ATOM 546 OE1 GLU A 38 -6.927 -8.706 -6.759 1.00 0.00 O ATOM 547 OE2 GLU A 38 -4.880 -9.323 -7.386 1.00 0.00 O ATOM 0 H GLU A 38 -3.402 -5.212 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.950 -6.665 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.994 -5.987 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.579 -6.442 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.005 -8.065 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.423 -8.464 -4.504 1.00 0.00 H new ATOM 554 N ALA A 39 -6.553 -3.879 -6.834 1.00 0.00 N ATOM 555 CA ALA A 39 -7.659 -3.036 -7.254 1.00 0.00 C ATOM 556 C ALA A 39 -7.512 -2.713 -8.742 1.00 0.00 C ATOM 557 O ALA A 39 -8.136 -3.355 -9.586 1.00 0.00 O ATOM 558 CB ALA A 39 -7.701 -1.777 -6.386 1.00 0.00 C ATOM 0 H ALA A 39 -5.926 -3.452 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.608 -3.555 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.531 -1.145 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.836 -2.059 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.765 -1.228 -6.495 1.00 0.00 H new ATOM 564 N GLY A 40 -6.682 -1.717 -9.020 1.00 0.00 N ATOM 565 CA GLY A 40 -6.445 -1.301 -10.392 1.00 0.00 C ATOM 566 C GLY A 40 -4.978 -0.920 -10.603 1.00 0.00 C ATOM 567 O GLY A 40 -4.086 -1.748 -10.428 1.00 0.00 O ATOM 0 H GLY A 40 -6.166 -1.187 -8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.717 -2.108 -11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.084 -0.451 -10.634 1.00 0.00 H new ATOM 571 N ASP A 41 -4.774 0.335 -10.975 1.00 0.00 N ATOM 572 CA ASP A 41 -3.432 0.837 -11.212 1.00 0.00 C ATOM 573 C ASP A 41 -3.029 1.765 -10.064 1.00 0.00 C ATOM 574 O ASP A 41 -3.811 2.619 -9.648 1.00 0.00 O ATOM 575 CB ASP A 41 -3.364 1.638 -12.514 1.00 0.00 C ATOM 576 CG ASP A 41 -2.002 1.628 -13.209 1.00 0.00 C ATOM 577 OD1 ASP A 41 -0.994 1.494 -12.482 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.999 1.754 -14.453 1.00 0.00 O ATOM 0 H ASP A 41 -5.517 1.019 -11.118 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.760 -0.018 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.110 1.244 -13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.639 2.671 -12.302 1.00 0.00 H new ATOM 583 N VAL A 42 -1.809 1.567 -9.585 1.00 0.00 N ATOM 584 CA VAL A 42 -1.293 2.376 -8.494 1.00 0.00 C ATOM 585 C VAL A 42 -0.371 3.458 -9.059 1.00 0.00 C ATOM 586 O VAL A 42 0.642 3.151 -9.684 1.00 0.00 O ATOM 587 CB VAL A 42 -0.604 1.482 -7.461 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.278 2.266 -6.188 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.456 0.251 -7.145 1.00 0.00 C ATOM 0 H VAL A 42 -1.163 0.858 -9.933 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.107 2.882 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 42 0.336 1.136 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.211 1.607 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.387 3.095 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.199 2.655 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.943 -0.367 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.419 0.568 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.614 -0.326 -8.056 1.00 0.00 H new ATOM 599 N CYS A 43 -0.756 4.703 -8.818 1.00 0.00 N ATOM 600 CA CYS A 43 0.024 5.833 -9.295 1.00 0.00 C ATOM 601 C CYS A 43 1.004 6.240 -8.192 1.00 0.00 C ATOM 602 O CYS A 43 2.047 6.828 -8.471 1.00 0.00 O ATOM 603 CB CYS A 43 -0.871 6.998 -9.721 1.00 0.00 C ATOM 604 SG CYS A 43 -1.963 7.488 -8.337 1.00 0.00 S ATOM 0 H CYS A 43 -1.597 4.954 -8.299 1.00 0.00 H new ATOM 0 HA CYS A 43 0.581 5.544 -10.186 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.258 7.845 -10.028 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.471 6.709 -10.584 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.452 6.424 -7.772 1.00 0.00 H new ATOM 610 N TYR A 44 0.633 5.910 -6.964 1.00 0.00 N ATOM 611 CA TYR A 44 1.466 6.234 -5.818 1.00 0.00 C ATOM 612 C TYR A 44 1.655 5.013 -4.915 1.00 0.00 C ATOM 613 O TYR A 44 0.702 4.284 -4.644 1.00 0.00 O ATOM 614 CB TYR A 44 0.714 7.316 -5.042 1.00 0.00 C ATOM 615 CG TYR A 44 1.586 8.094 -4.055 1.00 0.00 C ATOM 616 CD1 TYR A 44 1.889 7.549 -2.824 1.00 0.00 C ATOM 617 CD2 TYR A 44 2.070 9.341 -4.395 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.710 8.281 -1.895 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.891 10.073 -3.466 1.00 0.00 C ATOM 620 CZ TYR A 44 3.171 9.507 -2.261 1.00 0.00 C ATOM 621 OH TYR A 44 3.946 10.198 -1.384 1.00 0.00 O ATOM 0 H TYR A 44 -0.233 5.422 -6.737 1.00 0.00 H new ATOM 0 HA TYR A 44 2.453 6.563 -6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.272 8.016 -5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.109 6.853 -4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.510 6.573 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.833 9.768 -5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.954 7.866 -0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.276 11.050 -3.720 1.00 0.00 H new ATOM 0 HH TYR A 44 4.203 11.056 -1.781 1.00 0.00 H new ATOM 631 N ALA A 45 2.890 4.829 -4.473 1.00 0.00 N ATOM 632 CA ALA A 45 3.216 3.710 -3.606 1.00 0.00 C ATOM 633 C ALA A 45 4.410 4.083 -2.725 1.00 0.00 C ATOM 634 O ALA A 45 5.525 4.240 -3.219 1.00 0.00 O ATOM 635 CB ALA A 45 3.484 2.466 -4.456 1.00 0.00 C ATOM 0 H ALA A 45 3.677 5.437 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 45 2.379 3.480 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.729 1.626 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.595 2.226 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.319 2.658 -5.129 1.00 0.00 H new ATOM 641 N ASP A 46 4.135 4.214 -1.435 1.00 0.00 N ATOM 642 CA ASP A 46 5.172 4.566 -0.481 1.00 0.00 C ATOM 643 C ASP A 46 4.987 3.743 0.795 1.00 0.00 C ATOM 644 O ASP A 46 3.874 3.327 1.113 1.00 0.00 O ATOM 645 CB ASP A 46 5.095 6.047 -0.104 1.00 0.00 C ATOM 646 CG ASP A 46 6.327 6.596 0.617 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.288 6.958 -0.097 1.00 0.00 O ATOM 648 OD2 ASP A 46 6.282 6.643 1.865 1.00 0.00 O ATOM 0 H ASP A 46 3.209 4.083 -1.029 1.00 0.00 H new ATOM 0 HA ASP A 46 6.138 4.362 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.934 6.629 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.223 6.200 0.532 1.00 0.00 H new ATOM 653 N VAL A 47 6.094 3.532 1.492 1.00 0.00 N ATOM 654 CA VAL A 47 6.067 2.766 2.726 1.00 0.00 C ATOM 655 C VAL A 47 7.029 3.397 3.734 1.00 0.00 C ATOM 656 O VAL A 47 8.090 3.892 3.358 1.00 0.00 O ATOM 657 CB VAL A 47 6.382 1.297 2.437 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.805 1.137 1.898 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.167 0.435 3.682 1.00 0.00 C ATOM 0 H VAL A 47 7.016 3.878 1.225 1.00 0.00 H new ATOM 0 HA VAL A 47 5.071 2.790 3.169 1.00 0.00 H new ATOM 0 HB VAL A 47 5.692 0.952 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.003 0.083 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.910 1.705 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.517 1.508 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.398 -0.605 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.821 0.782 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.128 0.513 4.003 1.00 0.00 H new ATOM 669 N GLN A 48 6.625 3.357 4.995 1.00 0.00 N ATOM 670 CA GLN A 48 7.439 3.918 6.060 1.00 0.00 C ATOM 671 C GLN A 48 7.706 2.864 7.136 1.00 0.00 C ATOM 672 O GLN A 48 7.111 1.788 7.117 1.00 0.00 O ATOM 673 CB GLN A 48 6.775 5.159 6.661 1.00 0.00 C ATOM 674 CG GLN A 48 5.370 4.836 7.173 1.00 0.00 C ATOM 675 CD GLN A 48 4.749 6.046 7.873 1.00 0.00 C ATOM 676 OE1 GLN A 48 4.191 6.936 7.252 1.00 0.00 O ATOM 677 NE2 GLN A 48 4.878 6.030 9.196 1.00 0.00 N ATOM 0 H GLN A 48 5.744 2.945 5.303 1.00 0.00 H new ATOM 0 HA GLN A 48 8.395 4.226 5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.385 5.542 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.720 5.946 5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.737 4.529 6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.416 3.995 7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.357 5.254 9.652 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.498 6.794 9.755 1.00 0.00 H new ATOM 686 N LYS A 49 8.602 3.210 8.049 1.00 0.00 N ATOM 687 CA LYS A 49 8.955 2.307 9.130 1.00 0.00 C ATOM 688 C LYS A 49 7.711 2.012 9.970 1.00 0.00 C ATOM 689 O LYS A 49 6.602 2.397 9.600 1.00 0.00 O ATOM 690 CB LYS A 49 10.124 2.872 9.940 1.00 0.00 C ATOM 691 CG LYS A 49 9.701 4.124 10.712 1.00 0.00 C ATOM 692 CD LYS A 49 10.750 5.230 10.579 1.00 0.00 C ATOM 693 CE LYS A 49 10.436 6.399 11.514 1.00 0.00 C ATOM 694 NZ LYS A 49 11.455 6.495 12.584 1.00 0.00 N ATOM 0 H LYS A 49 9.094 4.104 8.062 1.00 0.00 H new ATOM 0 HA LYS A 49 9.304 1.354 8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.488 2.116 10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.951 3.114 9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.742 4.480 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.559 3.877 11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.737 4.830 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.783 5.583 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.408 7.329 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.448 6.264 11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.227 7.294 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.463 5.614 13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.392 6.645 12.159 1.00 0.00 H new ATOM 708 N ASP A 50 7.935 1.332 11.085 1.00 0.00 N ATOM 709 CA ASP A 50 6.846 0.981 11.980 1.00 0.00 C ATOM 710 C ASP A 50 6.018 -0.142 11.353 1.00 0.00 C ATOM 711 O ASP A 50 5.891 -1.221 11.930 1.00 0.00 O ATOM 712 CB ASP A 50 5.920 2.176 12.215 1.00 0.00 C ATOM 713 CG ASP A 50 5.498 2.391 13.670 1.00 0.00 C ATOM 714 OD1 ASP A 50 6.392 2.304 14.539 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.290 2.637 13.880 1.00 0.00 O ATOM 0 H ASP A 50 8.856 1.015 11.389 1.00 0.00 H new ATOM 0 HA ASP A 50 7.278 0.667 12.930 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.418 3.078 11.860 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.024 2.047 11.608 1.00 0.00 H new ATOM 720 N GLY A 51 5.476 0.150 10.180 1.00 0.00 N ATOM 721 CA GLY A 51 4.664 -0.823 9.468 1.00 0.00 C ATOM 722 C GLY A 51 3.466 -0.149 8.796 1.00 0.00 C ATOM 723 O GLY A 51 2.344 -0.647 8.876 1.00 0.00 O ATOM 0 H GLY A 51 5.583 1.046 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.271 -1.328 8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.314 -1.588 10.162 1.00 0.00 H new ATOM 727 N MET A 52 3.745 0.973 8.149 1.00 0.00 N ATOM 728 CA MET A 52 2.704 1.720 7.463 1.00 0.00 C ATOM 729 C MET A 52 3.007 1.835 5.968 1.00 0.00 C ATOM 730 O MET A 52 4.148 1.654 5.546 1.00 0.00 O ATOM 731 CB MET A 52 2.594 3.119 8.072 1.00 0.00 C ATOM 732 CG MET A 52 1.612 3.131 9.245 1.00 0.00 C ATOM 733 SD MET A 52 0.465 4.487 9.068 1.00 0.00 S ATOM 734 CE MET A 52 -0.409 3.964 7.603 1.00 0.00 C ATOM 0 H MET A 52 4.677 1.383 8.085 1.00 0.00 H new ATOM 0 HA MET A 52 1.761 1.187 7.583 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.576 3.450 8.411 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.265 3.826 7.311 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.068 2.187 9.284 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.156 3.225 10.185 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.343 4.520 7.518 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.207 4.154 6.724 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.626 2.898 7.670 1.00 0.00 H new ATOM 744 N GLY A 53 1.965 2.137 5.207 1.00 0.00 N ATOM 745 CA GLY A 53 2.105 2.279 3.768 1.00 0.00 C ATOM 746 C GLY A 53 1.022 3.199 3.200 1.00 0.00 C ATOM 747 O GLY A 53 0.112 3.609 3.918 1.00 0.00 O ATOM 0 H GLY A 53 1.020 2.287 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.090 2.682 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.040 1.299 3.294 1.00 0.00 H new ATOM 751 N MET A 54 1.157 3.495 1.915 1.00 0.00 N ATOM 752 CA MET A 54 0.201 4.359 1.243 1.00 0.00 C ATOM 753 C MET A 54 0.174 4.079 -0.261 1.00 0.00 C ATOM 754 O MET A 54 1.222 3.975 -0.896 1.00 0.00 O ATOM 755 CB MET A 54 0.578 5.822 1.483 1.00 0.00 C ATOM 756 CG MET A 54 -0.637 6.736 1.315 1.00 0.00 C ATOM 757 SD MET A 54 -0.121 8.333 0.708 1.00 0.00 S ATOM 758 CE MET A 54 -0.502 8.144 -1.026 1.00 0.00 C ATOM 0 H MET A 54 1.913 3.152 1.322 1.00 0.00 H new ATOM 0 HA MET A 54 -0.790 4.159 1.650 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.987 5.936 2.487 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.360 6.119 0.784 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.347 6.286 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.152 6.849 2.269 1.00 0.00 H new ATOM 0 HE1 MET A 54 0.090 8.851 -1.608 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.267 7.128 -1.342 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.562 8.338 -1.189 1.00 0.00 H new ATOM 768 N VAL A 55 -1.037 3.966 -0.787 1.00 0.00 N ATOM 769 CA VAL A 55 -1.215 3.700 -2.205 1.00 0.00 C ATOM 770 C VAL A 55 -2.373 4.547 -2.736 1.00 0.00 C ATOM 771 O VAL A 55 -3.383 4.722 -2.056 1.00 0.00 O ATOM 772 CB VAL A 55 -1.416 2.201 -2.435 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.149 1.559 -3.006 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.852 1.501 -1.146 1.00 0.00 C ATOM 0 H VAL A 55 -1.904 4.054 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.322 3.984 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.213 2.079 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.319 0.493 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.099 2.028 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.676 1.698 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.988 0.437 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.087 1.637 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.792 1.930 -0.799 1.00 0.00 H new ATOM 784 N GLU A 56 -2.189 5.050 -3.948 1.00 0.00 N ATOM 785 CA GLU A 56 -3.206 5.874 -4.579 1.00 0.00 C ATOM 786 C GLU A 56 -3.647 5.251 -5.905 1.00 0.00 C ATOM 787 O GLU A 56 -2.813 4.813 -6.696 1.00 0.00 O ATOM 788 CB GLU A 56 -2.702 7.304 -4.785 1.00 0.00 C ATOM 789 CG GLU A 56 -2.361 7.964 -3.447 1.00 0.00 C ATOM 790 CD GLU A 56 -2.953 9.372 -3.363 1.00 0.00 C ATOM 791 OE1 GLU A 56 -4.131 9.516 -3.755 1.00 0.00 O ATOM 792 OE2 GLU A 56 -2.214 10.272 -2.909 1.00 0.00 O ATOM 0 H GLU A 56 -1.351 4.903 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.071 5.920 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.820 7.294 -5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.462 7.891 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.745 7.355 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.279 8.013 -3.327 1.00 0.00 H new ATOM 799 N TYR A 57 -4.956 5.232 -6.106 1.00 0.00 N ATOM 800 CA TYR A 57 -5.517 4.670 -7.323 1.00 0.00 C ATOM 801 C TYR A 57 -5.982 5.775 -8.274 1.00 0.00 C ATOM 802 O TYR A 57 -6.051 6.941 -7.890 1.00 0.00 O ATOM 803 CB TYR A 57 -6.731 3.846 -6.886 1.00 0.00 C ATOM 804 CG TYR A 57 -6.372 2.538 -6.178 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.599 1.594 -6.821 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.823 2.303 -4.894 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.262 0.363 -6.154 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.486 1.073 -4.227 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.722 0.163 -4.890 1.00 0.00 C ATOM 810 OH TYR A 57 -5.404 -0.999 -4.260 1.00 0.00 O ATOM 0 H TYR A 57 -5.644 5.596 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.772 4.072 -7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.347 4.450 -6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.338 3.618 -7.763 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.246 1.778 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.428 3.042 -4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.658 -0.384 -6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.832 0.877 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.929 -1.589 -4.882 1.00 0.00 H new ATOM 820 N LEU A 58 -6.288 5.369 -9.497 1.00 0.00 N ATOM 821 CA LEU A 58 -6.744 6.310 -10.506 1.00 0.00 C ATOM 822 C LEU A 58 -8.273 6.293 -10.559 1.00 0.00 C ATOM 823 O LEU A 58 -8.890 7.216 -11.090 1.00 0.00 O ATOM 824 CB LEU A 58 -6.079 6.016 -11.852 1.00 0.00 C ATOM 825 CG LEU A 58 -4.550 6.061 -11.869 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.958 4.857 -11.133 1.00 0.00 C ATOM 827 CD2 LEU A 58 -4.020 6.175 -13.300 1.00 0.00 C ATOM 0 H LEU A 58 -6.229 4.401 -9.812 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.445 7.325 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.397 5.028 -12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.452 6.733 -12.583 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.229 6.955 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.870 4.913 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.296 4.862 -10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.286 3.937 -11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.931 6.205 -13.283 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.350 5.313 -13.880 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.401 7.088 -13.758 1.00 0.00 H new ATOM 839 N ARG A 59 -8.841 5.234 -10.002 1.00 0.00 N ATOM 840 CA ARG A 59 -10.286 5.085 -9.979 1.00 0.00 C ATOM 841 C ARG A 59 -10.784 4.950 -8.538 1.00 0.00 C ATOM 842 O ARG A 59 -10.104 4.367 -7.695 1.00 0.00 O ATOM 843 CB ARG A 59 -10.726 3.857 -10.780 1.00 0.00 C ATOM 844 CG ARG A 59 -10.007 3.796 -12.128 1.00 0.00 C ATOM 845 CD ARG A 59 -10.526 4.879 -13.076 1.00 0.00 C ATOM 846 NE ARG A 59 -9.892 4.734 -14.406 1.00 0.00 N ATOM 847 CZ ARG A 59 -10.108 5.565 -15.435 1.00 0.00 C ATOM 848 NH1 ARG A 59 -10.942 6.603 -15.295 1.00 0.00 N ATOM 849 NH2 ARG A 59 -9.488 5.356 -16.605 1.00 0.00 N ATOM 0 H ARG A 59 -8.327 4.470 -9.563 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.718 5.976 -10.434 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.515 2.952 -10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.804 3.890 -10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.935 3.922 -11.978 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.153 2.814 -12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.609 4.803 -13.170 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.310 5.866 -12.667 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.251 3.953 -14.548 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.414 6.762 -14.405 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.106 7.235 -16.079 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.853 4.565 -16.711 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.652 5.988 -17.389 1.00 0.00 H new ATOM 863 N LYS A 60 -11.965 5.500 -8.300 1.00 0.00 N ATOM 864 CA LYS A 60 -12.561 5.448 -6.976 1.00 0.00 C ATOM 865 C LYS A 60 -12.833 3.990 -6.599 1.00 0.00 C ATOM 866 O LYS A 60 -12.377 3.519 -5.559 1.00 0.00 O ATOM 867 CB LYS A 60 -13.802 6.341 -6.912 1.00 0.00 C ATOM 868 CG LYS A 60 -14.336 6.437 -5.481 1.00 0.00 C ATOM 869 CD LYS A 60 -15.744 7.033 -5.459 1.00 0.00 C ATOM 870 CE LYS A 60 -16.409 6.821 -4.098 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.294 7.961 -3.770 1.00 0.00 N ATOM 0 H LYS A 60 -12.525 5.984 -9.001 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.871 5.846 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.557 7.337 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.576 5.941 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.350 5.446 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.667 7.053 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.695 8.099 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.350 6.572 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.986 5.896 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.646 6.712 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.737 7.801 -2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.735 8.837 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.033 8.047 -4.497 1.00 0.00 H new ATOM 885 N GLU A 61 -13.574 3.317 -7.467 1.00 0.00 N ATOM 886 CA GLU A 61 -13.911 1.922 -7.239 1.00 0.00 C ATOM 887 C GLU A 61 -12.686 1.154 -6.739 1.00 0.00 C ATOM 888 O GLU A 61 -12.755 0.459 -5.727 1.00 0.00 O ATOM 889 CB GLU A 61 -14.480 1.281 -8.506 1.00 0.00 C ATOM 890 CG GLU A 61 -15.914 1.750 -8.761 1.00 0.00 C ATOM 891 CD GLU A 61 -16.926 0.737 -8.222 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.728 -0.466 -8.500 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.874 1.188 -7.544 1.00 0.00 O ATOM 0 H GLU A 61 -13.950 3.712 -8.329 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.682 1.877 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.853 1.536 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.460 0.195 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.074 2.718 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.070 1.891 -9.831 1.00 0.00 H new ATOM 900 N ASP A 62 -11.592 1.307 -7.471 1.00 0.00 N ATOM 901 CA ASP A 62 -10.353 0.636 -7.115 1.00 0.00 C ATOM 902 C ASP A 62 -10.124 0.766 -5.608 1.00 0.00 C ATOM 903 O ASP A 62 -9.891 -0.230 -4.924 1.00 0.00 O ATOM 904 CB ASP A 62 -9.159 1.269 -7.831 1.00 0.00 C ATOM 905 CG ASP A 62 -9.030 0.912 -9.313 1.00 0.00 C ATOM 906 OD1 ASP A 62 -9.801 0.032 -9.754 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.163 1.526 -9.972 1.00 0.00 O ATOM 0 H ASP A 62 -11.538 1.886 -8.309 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.438 -0.410 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.232 2.353 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.245 0.966 -7.319 1.00 0.00 H new ATOM 912 N MET A 63 -10.197 2.001 -5.134 1.00 0.00 N ATOM 913 CA MET A 63 -10.000 2.274 -3.721 1.00 0.00 C ATOM 914 C MET A 63 -10.894 1.379 -2.860 1.00 0.00 C ATOM 915 O MET A 63 -10.401 0.514 -2.137 1.00 0.00 O ATOM 916 CB MET A 63 -10.321 3.742 -3.435 1.00 0.00 C ATOM 917 CG MET A 63 -9.717 4.185 -2.100 1.00 0.00 C ATOM 918 SD MET A 63 -10.066 5.912 -1.815 1.00 0.00 S ATOM 919 CE MET A 63 -11.765 5.979 -2.358 1.00 0.00 C ATOM 0 H MET A 63 -10.390 2.824 -5.704 1.00 0.00 H new ATOM 0 HA MET A 63 -8.960 2.065 -3.471 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.932 4.366 -4.239 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.401 3.885 -3.415 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.127 3.584 -1.289 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.640 4.019 -2.106 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.207 6.928 -2.054 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.804 5.893 -3.444 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.323 5.158 -1.909 1.00 0.00 H new ATOM 929 N GLU A 64 -12.193 1.617 -2.966 1.00 0.00 N ATOM 930 CA GLU A 64 -13.161 0.844 -2.206 1.00 0.00 C ATOM 931 C GLU A 64 -12.951 -0.652 -2.448 1.00 0.00 C ATOM 932 O GLU A 64 -12.935 -1.441 -1.504 1.00 0.00 O ATOM 933 CB GLU A 64 -14.591 1.260 -2.555 1.00 0.00 C ATOM 934 CG GLU A 64 -14.811 2.749 -2.279 1.00 0.00 C ATOM 935 CD GLU A 64 -16.285 3.042 -1.993 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.785 2.502 -0.983 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.879 3.799 -2.791 1.00 0.00 O ATOM 0 H GLU A 64 -12.598 2.335 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.008 1.047 -1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.789 1.048 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.298 0.670 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.203 3.058 -1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.480 3.334 -3.137 1.00 0.00 H new ATOM 944 N TYR A 65 -12.796 -0.998 -3.718 1.00 0.00 N ATOM 945 CA TYR A 65 -12.588 -2.386 -4.095 1.00 0.00 C ATOM 946 C TYR A 65 -11.473 -3.020 -3.261 1.00 0.00 C ATOM 947 O TYR A 65 -11.724 -3.928 -2.471 1.00 0.00 O ATOM 948 CB TYR A 65 -12.161 -2.364 -5.564 1.00 0.00 C ATOM 949 CG TYR A 65 -11.760 -3.733 -6.116 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.487 -4.220 -5.897 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.671 -4.481 -6.834 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.110 -5.509 -6.417 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.294 -5.770 -7.353 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.032 -6.220 -7.120 1.00 0.00 C ATOM 955 OH TYR A 65 -10.676 -7.438 -7.610 1.00 0.00 O ATOM 0 H TYR A 65 -12.810 -0.341 -4.498 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.495 -2.968 -3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.980 -1.968 -6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.322 -1.678 -5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.774 -3.634 -5.336 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.667 -4.099 -7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.118 -5.902 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.998 -6.366 -7.915 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.434 -7.832 -8.090 1.00 0.00 H new ATOM 965 N ALA A 66 -10.265 -2.516 -3.467 1.00 0.00 N ATOM 966 CA ALA A 66 -9.111 -3.022 -2.744 1.00 0.00 C ATOM 967 C ALA A 66 -9.353 -2.878 -1.240 1.00 0.00 C ATOM 968 O ALA A 66 -8.973 -3.750 -0.460 1.00 0.00 O ATOM 969 CB ALA A 66 -7.854 -2.282 -3.205 1.00 0.00 C ATOM 0 H ALA A 66 -10.061 -1.763 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.961 -4.081 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.988 -2.662 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.710 -2.440 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.967 -1.216 -3.008 1.00 0.00 H new ATOM 975 N LEU A 67 -9.984 -1.771 -0.878 1.00 0.00 N ATOM 976 CA LEU A 67 -10.282 -1.501 0.519 1.00 0.00 C ATOM 977 C LEU A 67 -10.975 -2.720 1.132 1.00 0.00 C ATOM 978 O LEU A 67 -10.491 -3.287 2.110 1.00 0.00 O ATOM 979 CB LEU A 67 -11.082 -0.205 0.655 1.00 0.00 C ATOM 980 CG LEU A 67 -10.267 1.090 0.653 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.172 2.307 0.451 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.421 1.208 1.922 1.00 0.00 C ATOM 0 H LEU A 67 -10.297 -1.050 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.362 -1.340 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.802 -0.159 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.654 -0.250 1.582 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.578 1.058 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.568 3.214 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.691 2.220 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.902 2.355 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.852 2.137 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.073 1.207 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.734 0.364 1.981 1.00 0.00 H new ATOM 994 N ARG A 68 -12.098 -3.086 0.532 1.00 0.00 N ATOM 995 CA ARG A 68 -12.863 -4.227 1.007 1.00 0.00 C ATOM 996 C ARG A 68 -12.145 -5.531 0.654 1.00 0.00 C ATOM 997 O ARG A 68 -11.690 -6.253 1.540 1.00 0.00 O ATOM 998 CB ARG A 68 -14.265 -4.242 0.396 1.00 0.00 C ATOM 999 CG ARG A 68 -14.953 -2.887 0.568 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.257 -2.609 2.041 1.00 0.00 C ATOM 1001 NE ARG A 68 -15.017 -1.181 2.347 1.00 0.00 N ATOM 1002 CZ ARG A 68 -15.093 -0.653 3.576 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -15.404 -1.431 4.622 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -14.859 0.654 3.760 1.00 0.00 N ATOM 0 H ARG A 68 -12.497 -2.613 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.952 -4.140 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.201 -4.489 -0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.863 -5.020 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.315 -2.098 0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.879 -2.870 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -16.293 -2.868 2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.630 -3.236 2.675 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.779 -0.560 1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.583 -2.425 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.462 -1.029 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.623 1.247 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.917 1.056 4.696 1.00 0.00 H new ATOM 1018 N LYS A 69 -12.067 -5.794 -0.642 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.413 -6.999 -1.123 1.00 0.00 C ATOM 1020 C LYS A 69 -10.218 -7.319 -0.223 1.00 0.00 C ATOM 1021 O LYS A 69 -10.174 -8.377 0.403 1.00 0.00 O ATOM 1022 CB LYS A 69 -11.048 -6.856 -2.602 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.214 -7.276 -3.498 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.311 -6.210 -3.507 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.428 -6.579 -4.485 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.638 -5.770 -4.220 1.00 0.00 N ATOM 0 H LYS A 69 -12.446 -5.193 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.092 -7.850 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.776 -5.822 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.174 -7.468 -2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.855 -7.442 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.625 -8.222 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.723 -6.099 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.884 -5.246 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.091 -6.416 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.665 -7.639 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.386 -6.033 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.968 -5.946 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.412 -4.761 -4.331 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.278 -6.386 -0.187 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.085 -6.556 0.626 1.00 0.00 C ATOM 1042 C LEU A 70 -8.478 -6.557 2.105 1.00 0.00 C ATOM 1043 O LEU A 70 -8.274 -7.548 2.804 1.00 0.00 O ATOM 1044 CB LEU A 70 -7.038 -5.499 0.269 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.783 -5.286 -1.225 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.858 -4.090 -1.458 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.244 -6.562 -1.876 1.00 0.00 C ATOM 0 H LEU A 70 -9.318 -5.510 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.616 -7.518 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.347 -4.548 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.096 -5.775 0.743 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.734 -5.056 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.693 -3.961 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.318 -3.190 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.903 -4.266 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.071 -6.384 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.306 -6.846 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.970 -7.366 -1.757 1.00 0.00 H new ATOM 1059 N ASP A 71 -9.034 -5.435 2.537 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.457 -5.294 3.921 1.00 0.00 C ATOM 1061 C ASP A 71 -8.769 -6.364 4.771 1.00 0.00 C ATOM 1062 O ASP A 71 -9.307 -7.454 4.960 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.969 -5.483 4.056 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.513 -5.345 5.479 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -11.298 -4.263 6.067 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.130 -6.325 5.948 1.00 0.00 O ATOM 0 H ASP A 71 -9.202 -4.615 1.954 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.187 -4.293 4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.470 -4.753 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.232 -6.470 3.677 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.588 -6.016 5.262 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.821 -6.932 6.088 1.00 0.00 C ATOM 1073 C ASP A 72 -6.432 -8.157 5.257 1.00 0.00 C ATOM 1074 O ASP A 72 -7.275 -9.000 4.956 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.643 -7.415 7.284 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.846 -8.157 8.359 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.611 -7.965 8.384 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.490 -8.900 9.131 1.00 0.00 O ATOM 0 H ASP A 72 -7.144 -5.112 5.103 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.938 -6.404 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.129 -6.554 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.434 -8.072 6.921 1.00 0.00 H new ATOM 1083 N THR A 73 -5.154 -8.215 4.910 1.00 0.00 N ATOM 1084 CA THR A 73 -4.643 -9.322 4.120 1.00 0.00 C ATOM 1085 C THR A 73 -3.259 -9.739 4.619 1.00 0.00 C ATOM 1086 O THR A 73 -2.658 -9.050 5.442 1.00 0.00 O ATOM 1087 CB THR A 73 -4.657 -8.900 2.649 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.189 -7.554 2.670 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.075 -8.792 2.084 1.00 0.00 C ATOM 0 H THR A 73 -4.458 -7.513 5.162 1.00 0.00 H new ATOM 0 HA THR A 73 -5.272 -10.206 4.225 1.00 0.00 H new ATOM 0 HB THR A 73 -4.085 -9.617 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.165 -7.202 1.756 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.028 -8.490 1.038 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.572 -9.759 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.637 -8.050 2.651 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.793 -10.866 4.101 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.490 -11.383 4.484 1.00 0.00 C ATOM 1099 C LYS A 74 -0.446 -10.932 3.460 1.00 0.00 C ATOM 1100 O LYS A 74 -0.319 -11.530 2.393 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.550 -12.900 4.673 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.159 -13.474 4.950 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.243 -14.950 5.346 1.00 0.00 C ATOM 1104 CE LYS A 74 0.802 -15.778 4.596 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.894 -17.139 5.172 1.00 0.00 N ATOM 0 H LYS A 74 -3.294 -11.436 3.419 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.188 -10.976 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.218 -13.141 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.968 -13.365 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.466 -13.367 4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.320 -12.907 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.090 -15.051 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.240 -15.333 5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.537 -15.840 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.773 -15.286 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.608 -17.689 4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.169 -17.074 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.029 -17.611 5.096 1.00 0.00 H new ATOM 1119 N PHE A 75 0.275 -9.881 3.822 1.00 0.00 N ATOM 1120 CA PHE A 75 1.304 -9.342 2.948 1.00 0.00 C ATOM 1121 C PHE A 75 2.652 -10.016 3.210 1.00 0.00 C ATOM 1122 O PHE A 75 3.095 -10.104 4.354 1.00 0.00 O ATOM 1123 CB PHE A 75 1.423 -7.850 3.264 1.00 0.00 C ATOM 1124 CG PHE A 75 2.575 -7.151 2.540 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.598 -7.109 1.181 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.576 -6.571 3.256 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.668 -6.460 0.509 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.645 -5.922 2.583 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.668 -5.880 1.224 1.00 0.00 C ATOM 0 H PHE A 75 0.167 -9.388 4.708 1.00 0.00 H new ATOM 0 HA PHE A 75 1.037 -9.517 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.488 -7.357 2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.554 -7.726 4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.803 -7.569 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.558 -6.604 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.687 -6.427 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.440 -5.462 3.151 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.481 -5.386 0.713 1.00 0.00 H new ATOM 1139 N ARG A 76 3.268 -10.474 2.130 1.00 0.00 N ATOM 1140 CA ARG A 76 4.557 -11.137 2.228 1.00 0.00 C ATOM 1141 C ARG A 76 5.684 -10.159 1.889 1.00 0.00 C ATOM 1142 O ARG A 76 5.716 -9.599 0.794 1.00 0.00 O ATOM 1143 CB ARG A 76 4.632 -12.338 1.283 1.00 0.00 C ATOM 1144 CG ARG A 76 5.754 -13.293 1.697 1.00 0.00 C ATOM 1145 CD ARG A 76 5.437 -14.728 1.273 1.00 0.00 C ATOM 1146 NE ARG A 76 6.003 -15.682 2.252 1.00 0.00 N ATOM 1147 CZ ARG A 76 5.666 -16.977 2.321 1.00 0.00 C ATOM 1148 NH1 ARG A 76 4.763 -17.481 1.468 1.00 0.00 N ATOM 1149 NH2 ARG A 76 6.231 -17.769 3.242 1.00 0.00 N ATOM 0 H ARG A 76 2.898 -10.399 1.182 1.00 0.00 H new ATOM 0 HA ARG A 76 4.672 -11.488 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.679 -12.868 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.801 -11.993 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.693 -12.975 1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.892 -13.251 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.358 -14.865 1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.849 -14.923 0.283 1.00 0.00 H new ATOM 0 HE ARG A 76 6.693 -15.332 2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.332 -16.879 0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.506 -18.467 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.918 -17.386 3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.974 -18.755 3.294 1.00 0.00 H new ATOM 1163 N SER A 77 6.581 -9.985 2.848 1.00 0.00 N ATOM 1164 CA SER A 77 7.707 -9.085 2.665 1.00 0.00 C ATOM 1165 C SER A 77 8.721 -9.704 1.700 1.00 0.00 C ATOM 1166 O SER A 77 8.529 -10.823 1.226 1.00 0.00 O ATOM 1167 CB SER A 77 8.376 -8.761 4.002 1.00 0.00 C ATOM 1168 OG SER A 77 9.156 -9.851 4.486 1.00 0.00 O ATOM 0 H SER A 77 6.551 -10.452 3.754 1.00 0.00 H new ATOM 0 HA SER A 77 7.334 -8.153 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.012 -7.883 3.886 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.613 -8.507 4.737 1.00 0.00 H new ATOM 0 HG SER A 77 8.575 -10.624 4.645 1.00 0.00 H new ATOM 1174 N HIS A 78 9.777 -8.949 1.438 1.00 0.00 N ATOM 1175 CA HIS A 78 10.821 -9.409 0.538 1.00 0.00 C ATOM 1176 C HIS A 78 11.740 -10.386 1.275 1.00 0.00 C ATOM 1177 O HIS A 78 12.623 -10.991 0.669 1.00 0.00 O ATOM 1178 CB HIS A 78 11.578 -8.225 -0.068 1.00 0.00 C ATOM 1179 CG HIS A 78 12.606 -7.616 0.856 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.810 -7.104 0.404 1.00 0.00 N ATOM 1181 CD2 HIS A 78 12.596 -7.442 2.209 1.00 0.00 C ATOM 1182 CE1 HIS A 78 14.487 -6.646 1.447 1.00 0.00 C ATOM 1183 NE2 HIS A 78 13.733 -6.857 2.564 1.00 0.00 N ATOM 0 H HIS A 78 9.933 -8.022 1.833 1.00 0.00 H new ATOM 0 HA HIS A 78 10.374 -9.945 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 78 12.074 -8.553 -0.981 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.860 -7.456 -0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.799 -7.731 2.877 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.464 -6.186 1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.999 -6.606 3.516 1.00 0.00 H new ATOM 1191 N GLU A 79 11.501 -10.508 2.573 1.00 0.00 N ATOM 1192 CA GLU A 79 12.296 -11.401 3.399 1.00 0.00 C ATOM 1193 C GLU A 79 11.505 -12.670 3.723 1.00 0.00 C ATOM 1194 O GLU A 79 11.900 -13.446 4.591 1.00 0.00 O ATOM 1195 CB GLU A 79 12.756 -10.699 4.679 1.00 0.00 C ATOM 1196 CG GLU A 79 14.146 -10.085 4.499 1.00 0.00 C ATOM 1197 CD GLU A 79 15.239 -11.073 4.913 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.467 -11.186 6.136 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.822 -11.691 3.996 1.00 0.00 O ATOM 0 H GLU A 79 10.769 -10.004 3.072 1.00 0.00 H new ATOM 0 HA GLU A 79 13.187 -11.685 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.042 -9.920 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.774 -11.412 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.288 -9.796 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.227 -9.177 5.096 1.00 0.00 H new ATOM 1206 N GLY A 80 10.404 -12.841 3.007 1.00 0.00 N ATOM 1207 CA GLY A 80 9.554 -14.002 3.208 1.00 0.00 C ATOM 1208 C GLY A 80 8.518 -13.741 4.303 1.00 0.00 C ATOM 1209 O GLY A 80 7.355 -14.120 4.166 1.00 0.00 O ATOM 0 H GLY A 80 10.081 -12.195 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.048 -14.252 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.166 -14.862 3.479 1.00 0.00 H new ATOM 1213 N GLU A 81 8.976 -13.095 5.365 1.00 0.00 N ATOM 1214 CA GLU A 81 8.104 -12.779 6.483 1.00 0.00 C ATOM 1215 C GLU A 81 6.757 -12.259 5.975 1.00 0.00 C ATOM 1216 O GLU A 81 6.626 -11.905 4.804 1.00 0.00 O ATOM 1217 CB GLU A 81 8.762 -11.768 7.424 1.00 0.00 C ATOM 1218 CG GLU A 81 9.785 -12.451 8.334 1.00 0.00 C ATOM 1219 CD GLU A 81 10.695 -11.421 9.006 1.00 0.00 C ATOM 1220 OE1 GLU A 81 11.622 -10.946 8.314 1.00 0.00 O ATOM 1221 OE2 GLU A 81 10.444 -11.132 10.195 1.00 0.00 O ATOM 0 H GLU A 81 9.940 -12.782 5.475 1.00 0.00 H new ATOM 0 HA GLU A 81 7.929 -13.693 7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.252 -10.988 6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.999 -11.280 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.267 -13.035 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.387 -13.148 7.751 1.00 0.00 H new ATOM 1228 N THR A 82 5.790 -12.231 6.880 1.00 0.00 N ATOM 1229 CA THR A 82 4.459 -11.760 6.538 1.00 0.00 C ATOM 1230 C THR A 82 3.868 -10.947 7.692 1.00 0.00 C ATOM 1231 O THR A 82 4.383 -10.982 8.808 1.00 0.00 O ATOM 1232 CB THR A 82 3.612 -12.975 6.156 1.00 0.00 C ATOM 1233 OG1 THR A 82 3.561 -13.753 7.349 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.316 -13.886 5.147 1.00 0.00 C ATOM 0 H THR A 82 5.902 -12.527 7.850 1.00 0.00 H new ATOM 0 HA THR A 82 4.486 -11.082 5.685 1.00 0.00 H new ATOM 0 HB THR A 82 2.662 -12.638 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.029 -14.560 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.672 -14.733 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.528 -13.325 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.250 -14.250 5.575 1.00 0.00 H new ATOM 1242 N SER A 83 2.796 -10.233 7.382 1.00 0.00 N ATOM 1243 CA SER A 83 2.130 -9.412 8.379 1.00 0.00 C ATOM 1244 C SER A 83 0.719 -9.056 7.906 1.00 0.00 C ATOM 1245 O SER A 83 0.454 -9.018 6.705 1.00 0.00 O ATOM 1246 CB SER A 83 2.929 -8.140 8.668 1.00 0.00 C ATOM 1247 OG SER A 83 4.260 -8.430 9.087 1.00 0.00 O ATOM 0 H SER A 83 2.372 -10.206 6.455 1.00 0.00 H new ATOM 0 HA SER A 83 2.063 -9.985 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.958 -7.519 7.773 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.423 -7.562 9.441 1.00 0.00 H new ATOM 0 HG SER A 83 4.316 -9.365 9.374 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.150 -8.805 8.874 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.527 -8.454 8.572 1.00 0.00 C ATOM 1255 C TYR A 84 -1.683 -6.941 8.405 1.00 0.00 C ATOM 1256 O TYR A 84 -1.642 -6.198 9.385 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.353 -8.911 9.776 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.394 -9.982 9.446 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.132 -10.921 8.469 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.595 -10.010 10.125 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -4.112 -11.930 8.158 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.575 -11.019 9.815 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.285 -11.929 8.847 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.210 -12.881 8.553 1.00 0.00 O ATOM 0 H TYR A 84 0.073 -8.838 9.869 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.848 -8.925 7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.679 -9.297 10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.860 -8.047 10.205 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.192 -10.899 7.938 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.800 -9.275 10.889 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.920 -12.670 7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.519 -11.052 10.339 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.997 -12.759 9.124 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.859 -6.530 7.158 1.00 0.00 N ATOM 1275 CA ILE A 85 -2.021 -5.119 6.851 1.00 0.00 C ATOM 1276 C ILE A 85 -3.487 -4.841 6.512 1.00 0.00 C ATOM 1277 O ILE A 85 -4.078 -5.533 5.684 1.00 0.00 O ATOM 1278 CB ILE A 85 -1.044 -4.694 5.753 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.248 -5.526 4.485 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.401 -4.754 6.252 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -1.004 -4.684 3.232 1.00 0.00 C ATOM 0 H ILE A 85 -1.893 -7.149 6.348 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.773 -4.509 7.719 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.252 -3.656 5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.569 -6.379 4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.262 -5.926 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.075 -4.447 5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.520 -4.084 7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.639 -5.773 6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.156 -5.299 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.701 -3.846 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.018 -4.306 3.241 1.00 0.00 H new ATOM 1293 N ARG A 86 -4.031 -3.827 7.168 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.416 -3.449 6.947 1.00 0.00 C ATOM 1295 C ARG A 86 -5.508 -2.399 5.838 1.00 0.00 C ATOM 1296 O ARG A 86 -4.571 -1.631 5.625 1.00 0.00 O ATOM 1297 CB ARG A 86 -6.045 -2.888 8.224 1.00 0.00 C ATOM 1298 CG ARG A 86 -7.036 -3.884 8.830 1.00 0.00 C ATOM 1299 CD ARG A 86 -6.303 -5.058 9.483 1.00 0.00 C ATOM 1300 NE ARG A 86 -6.107 -4.792 10.926 1.00 0.00 N ATOM 1301 CZ ARG A 86 -5.157 -5.369 11.673 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -4.310 -6.248 11.119 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -5.053 -5.068 12.975 1.00 0.00 N ATOM 0 H ARG A 86 -3.537 -3.255 7.853 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.961 -4.345 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.264 -2.660 8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.556 -1.951 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.656 -3.380 9.571 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.705 -4.255 8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.876 -5.975 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.339 -5.210 8.998 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.735 -4.128 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.389 -6.477 10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.587 -6.687 11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.697 -4.399 13.397 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.329 -5.508 13.544 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.647 -2.399 5.160 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.874 -1.456 4.078 1.00 0.00 C ATOM 1319 C VAL A 87 -8.067 -0.563 4.427 1.00 0.00 C ATOM 1320 O VAL A 87 -9.199 -1.038 4.509 1.00 0.00 O ATOM 1321 CB VAL A 87 -7.056 -2.207 2.758 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.664 -1.329 1.568 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.263 -3.516 2.759 1.00 0.00 C ATOM 0 H VAL A 87 -7.422 -3.037 5.339 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.008 -0.807 3.950 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.113 -2.455 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.803 -1.888 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.291 -0.437 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.618 -1.036 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.409 -4.031 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.203 -3.299 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.611 -4.151 3.574 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.773 0.714 4.624 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.807 1.676 4.962 1.00 0.00 C ATOM 1335 C TYR A 88 -8.515 3.039 4.330 1.00 0.00 C ATOM 1336 O TYR A 88 -7.376 3.328 3.969 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.771 1.816 6.485 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.396 2.185 7.044 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.388 1.243 7.075 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -7.164 3.460 7.518 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -5.093 1.591 7.601 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.869 3.808 8.044 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.898 2.856 8.060 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.675 3.185 8.557 1.00 0.00 O ATOM 0 H TYR A 88 -6.833 1.104 4.556 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.777 1.341 4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.491 2.577 6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.094 0.877 6.934 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.570 0.245 6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.953 4.197 7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.295 0.864 7.630 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.674 4.802 8.417 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.681 4.121 8.847 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.592 3.861 4.214 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.463 5.186 3.632 1.00 0.00 C ATOM 1356 C PRO A 89 -8.790 6.151 4.610 1.00 0.00 C ATOM 1357 O PRO A 89 -8.467 5.775 5.735 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.882 5.598 3.273 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.796 4.695 4.085 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.957 3.551 4.631 1.00 0.00 C ATOM 0 HA PRO A 89 -8.824 5.197 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.056 6.647 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.065 5.480 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.257 5.253 4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.605 4.312 3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.034 3.486 5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.286 2.592 4.230 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.597 7.376 4.144 1.00 0.00 N ATOM 1369 CA GLU A 90 -7.968 8.398 4.963 1.00 0.00 C ATOM 1370 C GLU A 90 -9.012 9.405 5.451 1.00 0.00 C ATOM 1371 O GLU A 90 -9.702 10.028 4.646 1.00 0.00 O ATOM 1372 CB GLU A 90 -6.845 9.100 4.197 1.00 0.00 C ATOM 1373 CG GLU A 90 -6.422 10.390 4.904 1.00 0.00 C ATOM 1374 CD GLU A 90 -4.900 10.464 5.044 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -4.220 9.981 4.114 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -4.452 11.003 6.079 1.00 0.00 O ATOM 0 H GLU A 90 -8.865 7.684 3.209 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.523 7.915 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.988 8.432 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.178 9.328 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.782 11.252 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.884 10.437 5.890 1.00 0.00 H new