USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 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 -1:sc= 0.694 USER MOD Set 1.2: A 52 MET CE :methyl -146:sc= 0 (180deg=0) USER MOD Set 1.3: A 88 TYR OH : rot -2:sc= 0.787 USER MOD Set 2.1: A 36 MET CE :methyl -160:sc= -9.26! (180deg=-11!) USER MOD Set 2.2: A 57 TYR OH : rot 9:sc= -1.07 USER MOD Set 3.1: A 35 HIS : no HE2:sc= -0.0572 X(o=0.07,f=-0.17) USER MOD Set 3.2: A 73 THR OG1 : rot 142:sc= 0.127 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0587 USER MOD Single : A 30 GLN : amide:sc= -7.27! C(o=-7.3!,f=-7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -12:sc= 0.355 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.471 K(o=-0.47,f=-2.8!) USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= -0.055 (180deg=-0.402) USER MOD Single : A 54 MET CE :methyl 177:sc= -12.5! (180deg=-13.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 166:sc= -1.5 (180deg=-2.41!) 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 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 169:sc= 0.973 USER MOD Single : A 78 HIS : no HD1:sc= -2.44! K(o=-2.4!,f=-1.1) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -150:sc= -0.615 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 16 -8.377 9.430 -4.276 1.00 0.00 N ATOM 187 CA PHE A 16 -8.743 8.110 -3.792 1.00 0.00 C ATOM 188 C PHE A 16 -7.499 7.265 -3.509 1.00 0.00 C ATOM 189 O PHE A 16 -6.790 6.869 -4.432 1.00 0.00 O ATOM 190 CB PHE A 16 -9.559 7.439 -4.899 1.00 0.00 C ATOM 191 CG PHE A 16 -10.574 8.365 -5.572 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.547 8.960 -4.831 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.504 8.593 -6.911 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.489 9.820 -5.456 1.00 0.00 C ATOM 195 CE2 PHE A 16 -11.446 9.452 -7.536 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.419 10.047 -6.795 1.00 0.00 C ATOM 0 HA PHE A 16 -9.309 8.197 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.877 7.053 -5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.086 6.582 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.603 8.779 -3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.731 8.120 -7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.261 10.294 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.390 9.633 -8.599 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.136 10.700 -7.270 1.00 0.00 H new ATOM 206 N ARG A 17 -7.272 7.015 -2.228 1.00 0.00 N ATOM 207 CA ARG A 17 -6.126 6.225 -1.811 1.00 0.00 C ATOM 208 C ARG A 17 -6.518 5.283 -0.670 1.00 0.00 C ATOM 209 O ARG A 17 -7.658 5.300 -0.210 1.00 0.00 O ATOM 210 CB ARG A 17 -4.976 7.123 -1.350 1.00 0.00 C ATOM 211 CG ARG A 17 -5.335 7.851 -0.053 1.00 0.00 C ATOM 212 CD ARG A 17 -4.176 7.796 0.944 1.00 0.00 C ATOM 213 NE ARG A 17 -3.289 8.966 0.755 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.588 10.208 1.159 1.00 0.00 C ATOM 215 NH1 ARG A 17 -4.751 10.450 1.778 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.723 11.209 0.945 1.00 0.00 N ATOM 0 H ARG A 17 -7.862 7.346 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.794 5.642 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.079 6.522 -1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.744 7.851 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.583 8.890 -0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.222 7.398 0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.563 7.783 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.610 6.875 0.806 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.394 8.817 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.410 9.689 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.978 11.396 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.837 11.025 0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.951 12.154 1.253 1.00 0.00 H new ATOM 230 N VAL A 18 -5.549 4.484 -0.246 1.00 0.00 N ATOM 231 CA VAL A 18 -5.778 3.538 0.832 1.00 0.00 C ATOM 232 C VAL A 18 -4.584 3.561 1.787 1.00 0.00 C ATOM 233 O VAL A 18 -3.434 3.512 1.352 1.00 0.00 O ATOM 234 CB VAL A 18 -6.057 2.147 0.257 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.312 2.157 -0.617 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.849 1.625 -0.524 1.00 0.00 C ATOM 0 H VAL A 18 -4.604 4.473 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.660 3.821 1.407 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.235 1.469 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.488 1.157 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.169 2.466 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.175 2.855 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.073 0.635 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.626 2.305 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.986 1.562 0.139 1.00 0.00 H new ATOM 246 N LEU A 19 -4.896 3.636 3.073 1.00 0.00 N ATOM 247 CA LEU A 19 -3.863 3.667 4.094 1.00 0.00 C ATOM 248 C LEU A 19 -3.586 2.242 4.576 1.00 0.00 C ATOM 249 O LEU A 19 -4.477 1.577 5.104 1.00 0.00 O ATOM 250 CB LEU A 19 -4.248 4.632 5.217 1.00 0.00 C ATOM 251 CG LEU A 19 -4.472 6.088 4.802 1.00 0.00 C ATOM 252 CD1 LEU A 19 -3.461 6.517 3.737 1.00 0.00 C ATOM 253 CD2 LEU A 19 -5.915 6.312 4.347 1.00 0.00 C ATOM 0 H LEU A 19 -5.850 3.676 3.431 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.930 4.051 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.160 4.265 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.465 4.607 5.975 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.308 6.721 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.643 7.555 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.451 6.419 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.568 5.883 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.048 7.354 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.132 5.668 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.595 6.073 5.164 1.00 0.00 H new ATOM 265 N VAL A 20 -2.348 1.814 4.378 1.00 0.00 N ATOM 266 CA VAL A 20 -1.943 0.479 4.786 1.00 0.00 C ATOM 267 C VAL A 20 -1.212 0.561 6.127 1.00 0.00 C ATOM 268 O VAL A 20 -0.378 1.442 6.331 1.00 0.00 O ATOM 269 CB VAL A 20 -1.103 -0.172 3.686 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.272 -1.329 4.243 1.00 0.00 C ATOM 271 CG2 VAL A 20 -1.985 -0.639 2.526 1.00 0.00 C ATOM 0 H VAL A 20 -1.612 2.368 3.940 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.816 -0.158 4.930 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.414 0.580 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.316 -1.774 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.397 -0.956 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.936 -2.082 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.363 -1.098 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.709 -1.368 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.512 0.216 2.103 1.00 0.00 H new ATOM 281 N SER A 21 -1.551 -0.369 7.008 1.00 0.00 N ATOM 282 CA SER A 21 -0.937 -0.414 8.324 1.00 0.00 C ATOM 283 C SER A 21 -0.794 -1.865 8.786 1.00 0.00 C ATOM 284 O SER A 21 -1.720 -2.661 8.638 1.00 0.00 O ATOM 285 CB SER A 21 -1.752 0.389 9.339 1.00 0.00 C ATOM 286 OG SER A 21 -1.762 1.781 9.035 1.00 0.00 O ATOM 0 H SER A 21 -2.244 -1.098 6.836 1.00 0.00 H new ATOM 0 HA SER A 21 0.053 0.037 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.776 0.015 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.338 0.239 10.336 1.00 0.00 H new ATOM 0 HG SER A 21 -1.220 1.945 8.235 1.00 0.00 H new ATOM 292 N GLY A 22 0.374 -2.165 9.336 1.00 0.00 N ATOM 293 CA GLY A 22 0.650 -3.507 9.821 1.00 0.00 C ATOM 294 C GLY A 22 1.657 -4.220 8.916 1.00 0.00 C ATOM 295 O GLY A 22 1.535 -5.419 8.670 1.00 0.00 O ATOM 0 H GLY A 22 1.140 -1.502 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.041 -3.457 10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.276 -4.080 9.863 1.00 0.00 H new ATOM 299 N LEU A 23 2.629 -3.452 8.446 1.00 0.00 N ATOM 300 CA LEU A 23 3.657 -3.996 7.574 1.00 0.00 C ATOM 301 C LEU A 23 4.802 -4.548 8.426 1.00 0.00 C ATOM 302 O LEU A 23 4.942 -4.188 9.593 1.00 0.00 O ATOM 303 CB LEU A 23 4.101 -2.948 6.552 1.00 0.00 C ATOM 304 CG LEU A 23 3.175 -2.750 5.350 1.00 0.00 C ATOM 305 CD1 LEU A 23 3.055 -1.268 4.989 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.634 -3.594 4.159 1.00 0.00 C ATOM 0 H LEU A 23 2.727 -2.458 8.652 1.00 0.00 H new ATOM 0 HA LEU A 23 3.262 -4.829 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.208 -1.992 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.089 -3.224 6.183 1.00 0.00 H new ATOM 0 HG LEU A 23 2.179 -3.097 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.391 -1.155 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.648 -0.719 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.040 -0.873 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.959 -3.435 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.644 -3.301 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.626 -4.648 4.436 1.00 0.00 H new ATOM 318 N PRO A 24 5.612 -5.437 7.792 1.00 0.00 N ATOM 319 CA PRO A 24 6.740 -6.043 8.478 1.00 0.00 C ATOM 320 C PRO A 24 7.892 -5.046 8.626 1.00 0.00 C ATOM 321 O PRO A 24 7.832 -3.940 8.092 1.00 0.00 O ATOM 322 CB PRO A 24 7.108 -7.255 7.637 1.00 0.00 C ATOM 323 CG PRO A 24 6.480 -7.021 6.273 1.00 0.00 C ATOM 324 CD PRO A 24 5.477 -5.888 6.410 1.00 0.00 C ATOM 0 HA PRO A 24 6.500 -6.341 9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.190 -7.360 7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.731 -8.173 8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.245 -6.767 5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.987 -7.927 5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.692 -5.082 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.463 -6.230 6.202 1.00 0.00 H new ATOM 332 N PRO A 25 8.939 -5.485 9.374 1.00 0.00 N ATOM 333 CA PRO A 25 10.103 -4.644 9.599 1.00 0.00 C ATOM 334 C PRO A 25 10.980 -4.575 8.347 1.00 0.00 C ATOM 335 O PRO A 25 11.762 -3.640 8.184 1.00 0.00 O ATOM 336 CB PRO A 25 10.814 -5.267 10.789 1.00 0.00 C ATOM 337 CG PRO A 25 10.285 -6.688 10.894 1.00 0.00 C ATOM 338 CD PRO A 25 9.044 -6.789 10.022 1.00 0.00 C ATOM 0 HA PRO A 25 9.839 -3.607 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.894 -5.262 10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.612 -4.707 11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.041 -7.402 10.566 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.045 -6.930 11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.140 -7.589 9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.158 -7.007 10.618 1.00 0.00 H new ATOM 346 N SER A 26 10.821 -5.578 7.496 1.00 0.00 N ATOM 347 CA SER A 26 11.589 -5.643 6.265 1.00 0.00 C ATOM 348 C SER A 26 10.683 -5.348 5.067 1.00 0.00 C ATOM 349 O SER A 26 11.168 -5.113 3.961 1.00 0.00 O ATOM 350 CB SER A 26 12.255 -7.011 6.102 1.00 0.00 C ATOM 351 OG SER A 26 13.337 -7.189 7.012 1.00 0.00 O ATOM 0 H SER A 26 10.172 -6.352 7.635 1.00 0.00 H new ATOM 0 HA SER A 26 12.375 -4.890 6.313 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.515 -7.796 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.619 -7.118 5.080 1.00 0.00 H new ATOM 0 HG SER A 26 13.735 -8.075 6.878 1.00 0.00 H new ATOM 357 N GLY A 27 9.385 -5.371 5.329 1.00 0.00 N ATOM 358 CA GLY A 27 8.407 -5.108 4.286 1.00 0.00 C ATOM 359 C GLY A 27 8.871 -3.972 3.373 1.00 0.00 C ATOM 360 O GLY A 27 9.753 -3.197 3.739 1.00 0.00 O ATOM 0 H GLY A 27 8.987 -5.567 6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.247 -6.011 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.449 -4.848 4.738 1.00 0.00 H new ATOM 364 N SER A 28 8.255 -3.908 2.201 1.00 0.00 N ATOM 365 CA SER A 28 8.594 -2.879 1.233 1.00 0.00 C ATOM 366 C SER A 28 7.318 -2.303 0.614 1.00 0.00 C ATOM 367 O SER A 28 6.216 -2.749 0.928 1.00 0.00 O ATOM 368 CB SER A 28 9.511 -3.431 0.140 1.00 0.00 C ATOM 369 OG SER A 28 9.115 -4.734 -0.282 1.00 0.00 O ATOM 0 H SER A 28 7.523 -4.552 1.900 1.00 0.00 H new ATOM 0 HA SER A 28 9.130 -2.084 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.503 -2.755 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.536 -3.466 0.510 1.00 0.00 H new ATOM 0 HG SER A 28 9.724 -5.051 -0.981 1.00 0.00 H new ATOM 375 N TRP A 29 7.511 -1.321 -0.254 1.00 0.00 N ATOM 376 CA TRP A 29 6.391 -0.680 -0.920 1.00 0.00 C ATOM 377 C TRP A 29 6.159 -1.396 -2.252 1.00 0.00 C ATOM 378 O TRP A 29 5.017 -1.636 -2.641 1.00 0.00 O ATOM 379 CB TRP A 29 6.636 0.821 -1.084 1.00 0.00 C ATOM 380 CG TRP A 29 7.897 1.163 -1.880 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.100 1.517 -1.409 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.031 1.167 -3.317 1.00 0.00 C ATOM 383 NE1 TRP A 29 9.996 1.749 -2.433 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.325 1.530 -3.630 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.089 0.875 -4.320 1.00 0.00 C ATOM 386 CZ2 TRP A 29 9.796 1.633 -4.944 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.576 0.984 -5.628 1.00 0.00 C ATOM 388 CH2 TRP A 29 8.876 1.347 -5.960 1.00 0.00 C ATOM 0 H TRP A 29 8.427 -0.954 -0.511 1.00 0.00 H new ATOM 0 HA TRP A 29 5.486 -0.763 -0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.774 1.267 -1.580 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.707 1.277 -0.097 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.339 1.609 -0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 29 10.971 2.030 -2.330 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.071 0.589 -4.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 10.815 1.918 -5.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.893 0.771 -6.437 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.175 1.408 -6.996 1.00 0.00 H new ATOM 399 N GLN A 30 7.261 -1.718 -2.914 1.00 0.00 N ATOM 400 CA GLN A 30 7.192 -2.402 -4.194 1.00 0.00 C ATOM 401 C GLN A 30 6.300 -3.641 -4.086 1.00 0.00 C ATOM 402 O GLN A 30 5.278 -3.735 -4.764 1.00 0.00 O ATOM 403 CB GLN A 30 8.589 -2.774 -4.693 1.00 0.00 C ATOM 404 CG GLN A 30 9.390 -1.524 -5.063 1.00 0.00 C ATOM 405 CD GLN A 30 9.423 -1.323 -6.579 1.00 0.00 C ATOM 406 OE1 GLN A 30 8.581 -1.812 -7.314 1.00 0.00 O ATOM 407 NE2 GLN A 30 10.439 -0.578 -7.005 1.00 0.00 N ATOM 0 H GLN A 30 8.206 -1.518 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 30 6.751 -1.723 -4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.118 -3.334 -3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.507 -3.428 -5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.947 -0.650 -4.586 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.407 -1.614 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.109 -0.199 -6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.548 -0.386 -8.001 1.00 0.00 H new ATOM 416 N ASP A 31 6.720 -4.560 -3.230 1.00 0.00 N ATOM 417 CA ASP A 31 5.972 -5.789 -3.025 1.00 0.00 C ATOM 418 C ASP A 31 4.551 -5.447 -2.572 1.00 0.00 C ATOM 419 O ASP A 31 3.589 -6.083 -3.000 1.00 0.00 O ATOM 420 CB ASP A 31 6.619 -6.653 -1.941 1.00 0.00 C ATOM 421 CG ASP A 31 7.032 -8.055 -2.392 1.00 0.00 C ATOM 422 OD1 ASP A 31 6.167 -8.741 -2.978 1.00 0.00 O ATOM 423 OD2 ASP A 31 8.204 -8.410 -2.140 1.00 0.00 O ATOM 0 H ASP A 31 7.569 -4.479 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 31 5.962 -6.339 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.500 -6.135 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.922 -6.746 -1.108 1.00 0.00 H new ATOM 428 N LEU A 32 4.464 -4.443 -1.712 1.00 0.00 N ATOM 429 CA LEU A 32 3.177 -4.008 -1.197 1.00 0.00 C ATOM 430 C LEU A 32 2.263 -3.637 -2.366 1.00 0.00 C ATOM 431 O LEU A 32 1.129 -4.106 -2.446 1.00 0.00 O ATOM 432 CB LEU A 32 3.360 -2.882 -0.178 1.00 0.00 C ATOM 433 CG LEU A 32 2.117 -2.043 0.126 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.339 -1.159 1.355 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.693 -1.229 -1.098 1.00 0.00 C ATOM 0 H LEU A 32 5.264 -3.918 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 32 2.690 -4.819 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.717 -3.318 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.144 -2.216 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 32 1.296 -2.720 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.440 -0.573 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.557 -1.786 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.178 -0.487 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.807 -0.642 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.503 -0.561 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.466 -1.904 -1.923 1.00 0.00 H new ATOM 447 N LYS A 33 2.791 -2.797 -3.245 1.00 0.00 N ATOM 448 CA LYS A 33 2.037 -2.357 -4.406 1.00 0.00 C ATOM 449 C LYS A 33 1.513 -3.580 -5.161 1.00 0.00 C ATOM 450 O LYS A 33 0.310 -3.707 -5.384 1.00 0.00 O ATOM 451 CB LYS A 33 2.882 -1.417 -5.269 1.00 0.00 C ATOM 452 CG LYS A 33 2.015 -0.692 -6.300 1.00 0.00 C ATOM 453 CD LYS A 33 2.826 0.365 -7.052 1.00 0.00 C ATOM 454 CE LYS A 33 3.297 -0.166 -8.407 1.00 0.00 C ATOM 455 NZ LYS A 33 4.758 0.013 -8.556 1.00 0.00 N ATOM 0 H LYS A 33 3.732 -2.410 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 33 1.168 -1.775 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.385 -0.688 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.660 -1.986 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.606 -1.413 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.169 -0.219 -5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.218 1.258 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.688 0.661 -6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.043 -1.222 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.777 0.357 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.060 -0.353 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.992 1.024 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.250 -0.506 -7.801 1.00 0.00 H new ATOM 469 N ASP A 34 2.441 -4.448 -5.535 1.00 0.00 N ATOM 470 CA ASP A 34 2.087 -5.656 -6.260 1.00 0.00 C ATOM 471 C ASP A 34 0.873 -6.307 -5.596 1.00 0.00 C ATOM 472 O ASP A 34 0.116 -7.026 -6.247 1.00 0.00 O ATOM 473 CB ASP A 34 3.236 -6.667 -6.241 1.00 0.00 C ATOM 474 CG ASP A 34 3.644 -7.209 -7.612 1.00 0.00 C ATOM 475 OD1 ASP A 34 3.709 -6.386 -8.551 1.00 0.00 O ATOM 476 OD2 ASP A 34 3.882 -8.433 -7.690 1.00 0.00 O ATOM 0 H ASP A 34 3.438 -4.339 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 34 1.868 -5.378 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.105 -6.198 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.951 -7.506 -5.606 1.00 0.00 H new ATOM 481 N HIS A 35 0.724 -6.033 -4.309 1.00 0.00 N ATOM 482 CA HIS A 35 -0.385 -6.584 -3.549 1.00 0.00 C ATOM 483 C HIS A 35 -1.595 -5.654 -3.661 1.00 0.00 C ATOM 484 O HIS A 35 -2.690 -6.093 -4.011 1.00 0.00 O ATOM 485 CB HIS A 35 0.027 -6.848 -2.100 1.00 0.00 C ATOM 486 CG HIS A 35 -0.977 -7.659 -1.314 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.684 -8.902 -0.781 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.271 -7.390 -0.977 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.760 -9.352 -0.154 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.743 -8.415 -0.277 1.00 0.00 N ATOM 0 H HIS A 35 1.353 -5.436 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.672 -7.550 -3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.984 -7.369 -2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.181 -5.893 -1.597 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.209 -9.389 -0.858 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.819 -6.496 -1.235 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.844 -10.296 0.364 1.00 0.00 H new ATOM 498 N MET A 36 -1.357 -4.386 -3.358 1.00 0.00 N ATOM 499 CA MET A 36 -2.414 -3.391 -3.421 1.00 0.00 C ATOM 500 C MET A 36 -3.012 -3.314 -4.827 1.00 0.00 C ATOM 501 O MET A 36 -4.224 -3.171 -4.983 1.00 0.00 O ATOM 502 CB MET A 36 -1.851 -2.023 -3.030 1.00 0.00 C ATOM 503 CG MET A 36 -1.555 -1.960 -1.530 1.00 0.00 C ATOM 504 SD MET A 36 -3.039 -2.302 -0.600 1.00 0.00 S ATOM 505 CE MET A 36 -4.255 -1.552 -1.671 1.00 0.00 C ATOM 0 H MET A 36 -0.448 -4.025 -3.068 1.00 0.00 H new ATOM 0 HA MET A 36 -3.203 -3.682 -2.727 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.938 -1.827 -3.593 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.564 -1.243 -3.297 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.780 -2.683 -1.273 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.171 -0.974 -1.268 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.165 -1.354 -1.105 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.863 -0.615 -2.067 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.480 -2.228 -2.495 1.00 0.00 H new ATOM 515 N ARG A 37 -2.135 -3.413 -5.815 1.00 0.00 N ATOM 516 CA ARG A 37 -2.561 -3.357 -7.203 1.00 0.00 C ATOM 517 C ARG A 37 -3.841 -4.173 -7.399 1.00 0.00 C ATOM 518 O ARG A 37 -4.621 -3.902 -8.310 1.00 0.00 O ATOM 519 CB ARG A 37 -1.474 -3.894 -8.136 1.00 0.00 C ATOM 520 CG ARG A 37 -0.141 -3.185 -7.889 1.00 0.00 C ATOM 521 CD ARG A 37 0.346 -2.477 -9.154 1.00 0.00 C ATOM 522 NE ARG A 37 0.746 -3.475 -10.171 1.00 0.00 N ATOM 523 CZ ARG A 37 1.023 -3.177 -11.448 1.00 0.00 C ATOM 524 NH1 ARG A 37 0.946 -1.908 -11.872 1.00 0.00 N ATOM 525 NH2 ARG A 37 1.377 -4.148 -12.301 1.00 0.00 N ATOM 0 H ARG A 37 -1.131 -3.532 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.751 -2.312 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.354 -4.966 -7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.778 -3.754 -9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.255 -2.460 -7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.605 -3.909 -7.563 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.444 -1.839 -9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.190 -1.830 -8.916 1.00 0.00 H new ATOM 0 HE ARG A 37 0.815 -4.451 -9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.677 -1.169 -11.223 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.157 -1.681 -12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.436 -5.114 -11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.588 -3.921 -13.273 1.00 0.00 H new ATOM 539 N GLU A 38 -4.016 -5.156 -6.528 1.00 0.00 N ATOM 540 CA GLU A 38 -5.187 -6.014 -6.594 1.00 0.00 C ATOM 541 C GLU A 38 -6.388 -5.232 -7.132 1.00 0.00 C ATOM 542 O GLU A 38 -7.168 -5.754 -7.927 1.00 0.00 O ATOM 543 CB GLU A 38 -5.498 -6.623 -5.226 1.00 0.00 C ATOM 544 CG GLU A 38 -5.085 -8.096 -5.175 1.00 0.00 C ATOM 545 CD GLU A 38 -3.567 -8.244 -5.296 1.00 0.00 C ATOM 546 OE1 GLU A 38 -3.071 -8.095 -6.434 1.00 0.00 O ATOM 547 OE2 GLU A 38 -2.937 -8.501 -4.248 1.00 0.00 O ATOM 0 H GLU A 38 -3.367 -5.377 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.975 -6.834 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.973 -6.067 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.564 -6.533 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.424 -8.540 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.573 -8.642 -5.982 1.00 0.00 H new ATOM 554 N ALA A 39 -6.499 -3.993 -6.676 1.00 0.00 N ATOM 555 CA ALA A 39 -7.591 -3.134 -7.101 1.00 0.00 C ATOM 556 C ALA A 39 -7.441 -2.825 -8.592 1.00 0.00 C ATOM 557 O ALA A 39 -8.092 -3.449 -9.428 1.00 0.00 O ATOM 558 CB ALA A 39 -7.610 -1.868 -6.242 1.00 0.00 C ATOM 0 H ALA A 39 -5.850 -3.563 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.549 -3.635 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.429 -1.224 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.749 -2.140 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.665 -1.337 -6.356 1.00 0.00 H new ATOM 564 N GLY A 40 -6.578 -1.861 -8.879 1.00 0.00 N ATOM 565 CA GLY A 40 -6.334 -1.462 -10.255 1.00 0.00 C ATOM 566 C GLY A 40 -4.877 -1.035 -10.451 1.00 0.00 C ATOM 567 O GLY A 40 -3.958 -1.752 -10.058 1.00 0.00 O ATOM 0 H GLY A 40 -6.040 -1.345 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.568 -2.290 -10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.997 -0.639 -10.522 1.00 0.00 H new ATOM 571 N ASP A 41 -4.713 0.130 -11.059 1.00 0.00 N ATOM 572 CA ASP A 41 -3.384 0.661 -11.313 1.00 0.00 C ATOM 573 C ASP A 41 -2.964 1.554 -10.143 1.00 0.00 C ATOM 574 O ASP A 41 -3.755 2.362 -9.660 1.00 0.00 O ATOM 575 CB ASP A 41 -3.363 1.509 -12.586 1.00 0.00 C ATOM 576 CG ASP A 41 -1.968 1.864 -13.104 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.266 2.605 -12.382 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.634 1.386 -14.210 1.00 0.00 O ATOM 0 H ASP A 41 -5.478 0.722 -11.383 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.702 -0.181 -11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.900 0.974 -13.370 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.910 2.433 -12.398 1.00 0.00 H new ATOM 583 N VAL A 42 -1.720 1.376 -9.722 1.00 0.00 N ATOM 584 CA VAL A 42 -1.186 2.156 -8.618 1.00 0.00 C ATOM 585 C VAL A 42 -0.174 3.169 -9.158 1.00 0.00 C ATOM 586 O VAL A 42 0.861 2.788 -9.702 1.00 0.00 O ATOM 587 CB VAL A 42 -0.593 1.225 -7.559 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.395 1.960 -6.232 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.465 -0.019 -7.372 1.00 0.00 C ATOM 0 H VAL A 42 -1.067 0.704 -10.125 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.980 2.719 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 42 0.386 0.898 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.028 1.276 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.284 2.800 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.356 2.329 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.021 -0.664 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.463 0.281 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.533 -0.561 -8.315 1.00 0.00 H new ATOM 599 N CYS A 43 -0.510 4.440 -8.988 1.00 0.00 N ATOM 600 CA CYS A 43 0.357 5.510 -9.451 1.00 0.00 C ATOM 601 C CYS A 43 1.243 5.950 -8.284 1.00 0.00 C ATOM 602 O CYS A 43 2.363 6.414 -8.491 1.00 0.00 O ATOM 603 CB CYS A 43 -0.446 6.677 -10.030 1.00 0.00 C ATOM 604 SG CYS A 43 0.670 8.078 -10.407 1.00 0.00 S ATOM 0 H CYS A 43 -1.370 4.752 -8.537 1.00 0.00 H new ATOM 0 HA CYS A 43 0.985 5.147 -10.265 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.963 6.360 -10.935 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.211 6.991 -9.319 1.00 0.00 H new ATOM 0 HG CYS A 43 1.832 7.865 -9.865 1.00 0.00 H new ATOM 610 N TYR A 44 0.707 5.789 -7.083 1.00 0.00 N ATOM 611 CA TYR A 44 1.435 6.164 -5.883 1.00 0.00 C ATOM 612 C TYR A 44 1.686 4.947 -4.991 1.00 0.00 C ATOM 613 O TYR A 44 0.761 4.195 -4.686 1.00 0.00 O ATOM 614 CB TYR A 44 0.537 7.152 -5.136 1.00 0.00 C ATOM 615 CG TYR A 44 1.275 8.007 -4.104 1.00 0.00 C ATOM 616 CD1 TYR A 44 1.724 7.437 -2.930 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.491 9.348 -4.347 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.419 8.241 -1.959 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.186 10.153 -3.375 1.00 0.00 C ATOM 620 CZ TYR A 44 2.616 9.560 -2.229 1.00 0.00 C ATOM 621 OH TYR A 44 3.272 10.320 -1.312 1.00 0.00 O ATOM 0 H TYR A 44 -0.223 5.404 -6.915 1.00 0.00 H new ATOM 0 HA TYR A 44 2.404 6.592 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.056 7.810 -5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.256 6.598 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.554 6.388 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.139 9.794 -5.266 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.776 7.807 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.362 11.204 -3.552 1.00 0.00 H new ATOM 0 HH TYR A 44 3.341 11.241 -1.639 1.00 0.00 H new ATOM 631 N ALA A 45 2.941 4.790 -4.597 1.00 0.00 N ATOM 632 CA ALA A 45 3.325 3.677 -3.746 1.00 0.00 C ATOM 633 C ALA A 45 4.455 4.119 -2.814 1.00 0.00 C ATOM 634 O ALA A 45 5.555 4.428 -3.269 1.00 0.00 O ATOM 635 CB ALA A 45 3.720 2.482 -4.616 1.00 0.00 C ATOM 0 H ALA A 45 3.705 5.415 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 45 2.488 3.364 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.008 1.647 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.874 2.189 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.560 2.758 -5.254 1.00 0.00 H new ATOM 641 N ASP A 46 4.144 4.135 -1.526 1.00 0.00 N ATOM 642 CA ASP A 46 5.120 4.534 -0.526 1.00 0.00 C ATOM 643 C ASP A 46 4.901 3.717 0.749 1.00 0.00 C ATOM 644 O ASP A 46 3.797 3.234 0.999 1.00 0.00 O ATOM 645 CB ASP A 46 4.971 6.014 -0.170 1.00 0.00 C ATOM 646 CG ASP A 46 6.183 6.638 0.524 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.294 6.105 0.315 1.00 0.00 O ATOM 648 OD2 ASP A 46 5.971 7.634 1.249 1.00 0.00 O ATOM 0 H ASP A 46 3.230 3.878 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 46 6.114 4.361 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.767 6.573 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.101 6.131 0.476 1.00 0.00 H new ATOM 653 N VAL A 47 5.969 3.588 1.522 1.00 0.00 N ATOM 654 CA VAL A 47 5.907 2.838 2.765 1.00 0.00 C ATOM 655 C VAL A 47 6.654 3.606 3.857 1.00 0.00 C ATOM 656 O VAL A 47 7.719 4.169 3.607 1.00 0.00 O ATOM 657 CB VAL A 47 6.450 1.424 2.551 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.876 1.462 2.000 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.383 0.609 3.844 1.00 0.00 C ATOM 0 H VAL A 47 6.882 3.990 1.312 1.00 0.00 H new ATOM 0 HA VAL A 47 4.873 2.729 3.093 1.00 0.00 H new ATOM 0 HB VAL A 47 5.818 0.931 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.238 0.444 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.883 1.987 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.525 1.982 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.775 -0.392 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.979 1.099 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.347 0.539 4.176 1.00 0.00 H new ATOM 669 N GLN A 48 6.067 3.605 5.045 1.00 0.00 N ATOM 670 CA GLN A 48 6.664 4.294 6.176 1.00 0.00 C ATOM 671 C GLN A 48 7.170 3.284 7.207 1.00 0.00 C ATOM 672 O GLN A 48 6.882 2.092 7.106 1.00 0.00 O ATOM 673 CB GLN A 48 5.672 5.272 6.808 1.00 0.00 C ATOM 674 CG GLN A 48 5.588 6.568 5.999 1.00 0.00 C ATOM 675 CD GLN A 48 5.972 7.776 6.856 1.00 0.00 C ATOM 676 OE1 GLN A 48 6.071 7.701 8.070 1.00 0.00 O ATOM 677 NE2 GLN A 48 6.181 8.889 6.159 1.00 0.00 N ATOM 0 H GLN A 48 5.184 3.138 5.249 1.00 0.00 H new ATOM 0 HA GLN A 48 7.515 4.872 5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.686 4.810 6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.978 5.496 7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.250 6.505 5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.576 6.697 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.081 8.881 5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.442 9.750 6.639 1.00 0.00 H new ATOM 686 N LYS A 49 7.915 3.797 8.175 1.00 0.00 N ATOM 687 CA LYS A 49 8.464 2.954 9.224 1.00 0.00 C ATOM 688 C LYS A 49 7.327 2.450 10.115 1.00 0.00 C ATOM 689 O LYS A 49 6.176 2.850 9.944 1.00 0.00 O ATOM 690 CB LYS A 49 9.562 3.696 9.988 1.00 0.00 C ATOM 691 CG LYS A 49 10.720 2.757 10.333 1.00 0.00 C ATOM 692 CD LYS A 49 12.043 3.293 9.781 1.00 0.00 C ATOM 693 CE LYS A 49 12.828 4.036 10.865 1.00 0.00 C ATOM 694 NZ LYS A 49 13.309 3.091 11.896 1.00 0.00 N ATOM 0 H LYS A 49 8.151 4.786 8.255 1.00 0.00 H new ATOM 0 HA LYS A 49 8.945 2.076 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.930 4.527 9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.149 4.122 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.792 2.645 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.525 1.767 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.641 2.468 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.847 3.964 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.675 4.556 10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.195 4.794 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.170 3.470 12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.573 2.963 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.523 2.174 11.454 1.00 0.00 H new ATOM 708 N ASP A 50 7.689 1.581 11.047 1.00 0.00 N ATOM 709 CA ASP A 50 6.713 1.019 11.966 1.00 0.00 C ATOM 710 C ASP A 50 5.964 -0.121 11.273 1.00 0.00 C ATOM 711 O ASP A 50 5.973 -1.254 11.750 1.00 0.00 O ATOM 712 CB ASP A 50 5.686 2.071 12.390 1.00 0.00 C ATOM 713 CG ASP A 50 5.132 1.900 13.805 1.00 0.00 C ATOM 714 OD1 ASP A 50 5.759 2.457 14.732 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.093 1.216 13.929 1.00 0.00 O ATOM 0 H ASP A 50 8.644 1.252 11.186 1.00 0.00 H new ATOM 0 HA ASP A 50 7.246 0.660 12.846 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.145 3.057 12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.855 2.050 11.685 1.00 0.00 H new ATOM 720 N GLY A 51 5.334 0.220 10.158 1.00 0.00 N ATOM 721 CA GLY A 51 4.582 -0.761 9.394 1.00 0.00 C ATOM 722 C GLY A 51 3.373 -0.116 8.713 1.00 0.00 C ATOM 723 O GLY A 51 2.274 -0.667 8.739 1.00 0.00 O ATOM 0 H GLY A 51 5.329 1.162 9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.228 -1.215 8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.248 -1.562 10.053 1.00 0.00 H new ATOM 727 N MET A 52 3.618 1.043 8.119 1.00 0.00 N ATOM 728 CA MET A 52 2.563 1.769 7.433 1.00 0.00 C ATOM 729 C MET A 52 2.802 1.784 5.921 1.00 0.00 C ATOM 730 O MET A 52 3.908 1.503 5.461 1.00 0.00 O ATOM 731 CB MET A 52 2.509 3.206 7.955 1.00 0.00 C ATOM 732 CG MET A 52 1.634 3.302 9.207 1.00 0.00 C ATOM 733 SD MET A 52 0.561 4.724 9.095 1.00 0.00 S ATOM 734 CE MET A 52 -0.517 4.409 10.482 1.00 0.00 C ATOM 0 H MET A 52 4.531 1.497 8.099 1.00 0.00 H new ATOM 0 HA MET A 52 1.616 1.266 7.628 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.517 3.552 8.184 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.115 3.864 7.180 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.039 2.395 9.315 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.262 3.379 10.095 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.521 4.766 10.251 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.549 3.338 10.682 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.140 4.931 11.362 1.00 0.00 H new ATOM 744 N GLY A 53 1.747 2.113 5.191 1.00 0.00 N ATOM 745 CA GLY A 53 1.828 2.168 3.741 1.00 0.00 C ATOM 746 C GLY A 53 0.812 3.160 3.172 1.00 0.00 C ATOM 747 O GLY A 53 -0.112 3.576 3.869 1.00 0.00 O ATOM 0 H GLY A 53 0.831 2.344 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.834 2.460 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.646 1.177 3.325 1.00 0.00 H new ATOM 751 N MET A 54 1.018 3.511 1.911 1.00 0.00 N ATOM 752 CA MET A 54 0.131 4.446 1.240 1.00 0.00 C ATOM 753 C MET A 54 0.117 4.202 -0.270 1.00 0.00 C ATOM 754 O MET A 54 1.163 4.237 -0.918 1.00 0.00 O ATOM 755 CB MET A 54 0.591 5.878 1.522 1.00 0.00 C ATOM 756 CG MET A 54 -0.545 6.875 1.290 1.00 0.00 C ATOM 757 SD MET A 54 0.073 8.319 0.442 1.00 0.00 S ATOM 758 CE MET A 54 -0.443 7.944 -1.225 1.00 0.00 C ATOM 0 H MET A 54 1.786 3.165 1.336 1.00 0.00 H new ATOM 0 HA MET A 54 -0.879 4.297 1.622 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.942 5.955 2.551 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.435 6.126 0.878 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.335 6.408 0.702 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.986 7.164 2.244 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.182 8.774 -1.882 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.059 7.039 -1.566 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.522 7.790 -1.246 1.00 0.00 H new ATOM 768 N VAL A 55 -1.078 3.961 -0.787 1.00 0.00 N ATOM 769 CA VAL A 55 -1.242 3.711 -2.209 1.00 0.00 C ATOM 770 C VAL A 55 -2.428 4.524 -2.733 1.00 0.00 C ATOM 771 O VAL A 55 -3.456 4.629 -2.065 1.00 0.00 O ATOM 772 CB VAL A 55 -1.388 2.210 -2.464 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.082 1.614 -2.993 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.850 1.482 -1.200 1.00 0.00 C ATOM 0 H VAL A 55 -1.943 3.933 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.358 4.036 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.153 2.073 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.213 0.546 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.188 2.103 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.711 1.768 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.946 0.416 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.119 1.632 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.815 1.878 -0.884 1.00 0.00 H new ATOM 784 N GLU A 56 -2.245 5.079 -3.922 1.00 0.00 N ATOM 785 CA GLU A 56 -3.287 5.880 -4.542 1.00 0.00 C ATOM 786 C GLU A 56 -3.827 5.175 -5.788 1.00 0.00 C ATOM 787 O GLU A 56 -3.071 4.547 -6.527 1.00 0.00 O ATOM 788 CB GLU A 56 -2.773 7.280 -4.884 1.00 0.00 C ATOM 789 CG GLU A 56 -2.327 8.023 -3.623 1.00 0.00 C ATOM 790 CD GLU A 56 -2.622 9.520 -3.735 1.00 0.00 C ATOM 791 OE1 GLU A 56 -2.191 10.109 -4.750 1.00 0.00 O ATOM 792 OE2 GLU A 56 -3.273 10.041 -2.804 1.00 0.00 O ATOM 0 H GLU A 56 -1.391 4.990 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.104 5.993 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.938 7.205 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.557 7.847 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.840 7.612 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.259 7.870 -3.465 1.00 0.00 H new ATOM 799 N TYR A 57 -5.132 5.302 -5.982 1.00 0.00 N ATOM 800 CA TYR A 57 -5.782 4.685 -7.126 1.00 0.00 C ATOM 801 C TYR A 57 -6.339 5.746 -8.078 1.00 0.00 C ATOM 802 O TYR A 57 -6.861 6.768 -7.637 1.00 0.00 O ATOM 803 CB TYR A 57 -6.943 3.866 -6.559 1.00 0.00 C ATOM 804 CG TYR A 57 -6.514 2.553 -5.901 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.974 1.540 -6.668 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.668 2.381 -4.540 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.571 0.304 -6.048 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.264 1.145 -3.921 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.736 0.168 -4.705 1.00 0.00 C ATOM 810 OH TYR A 57 -5.355 -0.999 -4.120 1.00 0.00 O ATOM 0 H TYR A 57 -5.756 5.823 -5.366 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.074 4.075 -7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.477 4.471 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.645 3.645 -7.363 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.854 1.674 -7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.091 3.173 -3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.147 -0.497 -6.636 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.378 0.998 -2.857 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.869 -1.548 -4.771 1.00 0.00 H new ATOM 820 N LEU A 58 -6.208 5.465 -9.366 1.00 0.00 N ATOM 821 CA LEU A 58 -6.691 6.382 -10.385 1.00 0.00 C ATOM 822 C LEU A 58 -8.201 6.197 -10.556 1.00 0.00 C ATOM 823 O LEU A 58 -8.817 6.847 -11.399 1.00 0.00 O ATOM 824 CB LEU A 58 -5.899 6.208 -11.682 1.00 0.00 C ATOM 825 CG LEU A 58 -4.384 6.389 -11.572 1.00 0.00 C ATOM 826 CD1 LEU A 58 -4.038 7.696 -10.856 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.735 5.178 -10.900 1.00 0.00 C ATOM 0 H LEU A 58 -5.774 4.615 -9.728 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.528 7.415 -10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.098 5.211 -12.075 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.278 6.921 -12.414 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.974 6.456 -12.580 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.955 7.800 -10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.450 8.537 -11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.462 7.684 -9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.658 5.332 -10.834 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.146 5.054 -9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.938 4.283 -11.488 1.00 0.00 H new ATOM 839 N ARG A 59 -8.752 5.308 -9.743 1.00 0.00 N ATOM 840 CA ARG A 59 -10.177 5.030 -9.794 1.00 0.00 C ATOM 841 C ARG A 59 -10.745 4.908 -8.379 1.00 0.00 C ATOM 842 O ARG A 59 -10.178 4.214 -7.536 1.00 0.00 O ATOM 843 CB ARG A 59 -10.458 3.736 -10.562 1.00 0.00 C ATOM 844 CG ARG A 59 -10.398 3.972 -12.072 1.00 0.00 C ATOM 845 CD ARG A 59 -11.474 4.966 -12.515 1.00 0.00 C ATOM 846 NE ARG A 59 -12.403 4.316 -13.466 1.00 0.00 N ATOM 847 CZ ARG A 59 -13.406 4.950 -14.089 1.00 0.00 C ATOM 848 NH1 ARG A 59 -13.615 6.254 -13.865 1.00 0.00 N ATOM 849 NH2 ARG A 59 -14.199 4.280 -14.936 1.00 0.00 N ATOM 0 H ARG A 59 -8.237 4.771 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.658 5.859 -10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.730 2.976 -10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.441 3.353 -10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.413 4.351 -12.346 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.533 3.026 -12.597 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -12.024 5.329 -11.647 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.009 5.833 -12.984 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.272 3.323 -13.659 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.011 6.764 -13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.378 6.737 -14.339 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.039 3.287 -15.107 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.962 4.763 -15.410 1.00 0.00 H new ATOM 863 N LYS A 60 -11.857 5.594 -8.161 1.00 0.00 N ATOM 864 CA LYS A 60 -12.508 5.571 -6.862 1.00 0.00 C ATOM 865 C LYS A 60 -12.853 4.127 -6.494 1.00 0.00 C ATOM 866 O LYS A 60 -12.486 3.652 -5.421 1.00 0.00 O ATOM 867 CB LYS A 60 -13.714 6.514 -6.851 1.00 0.00 C ATOM 868 CG LYS A 60 -14.348 6.576 -5.460 1.00 0.00 C ATOM 869 CD LYS A 60 -15.742 7.203 -5.520 1.00 0.00 C ATOM 870 CE LYS A 60 -16.526 6.923 -4.236 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.971 6.795 -4.528 1.00 0.00 N ATOM 0 H LYS A 60 -12.324 6.169 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.833 5.944 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.402 7.513 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.453 6.174 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.415 5.572 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.712 7.158 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.654 8.279 -5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.287 6.806 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.160 6.007 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.364 7.729 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.488 6.605 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.320 7.679 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.122 6.010 -5.194 1.00 0.00 H new ATOM 885 N GLU A 61 -13.555 3.469 -7.405 1.00 0.00 N ATOM 886 CA GLU A 61 -13.954 2.089 -7.190 1.00 0.00 C ATOM 887 C GLU A 61 -12.752 1.252 -6.748 1.00 0.00 C ATOM 888 O GLU A 61 -12.819 0.544 -5.745 1.00 0.00 O ATOM 889 CB GLU A 61 -14.598 1.502 -8.447 1.00 0.00 C ATOM 890 CG GLU A 61 -16.123 1.605 -8.381 1.00 0.00 C ATOM 891 CD GLU A 61 -16.764 1.108 -9.679 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.788 1.906 -10.641 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.214 -0.057 -9.679 1.00 0.00 O ATOM 0 H GLU A 61 -13.858 3.867 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.700 2.067 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.232 2.030 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.305 0.458 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.494 1.019 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.414 2.640 -8.201 1.00 0.00 H new ATOM 900 N ASP A 62 -11.680 1.361 -7.520 1.00 0.00 N ATOM 901 CA ASP A 62 -10.464 0.623 -7.220 1.00 0.00 C ATOM 902 C ASP A 62 -10.139 0.767 -5.732 1.00 0.00 C ATOM 903 O ASP A 62 -9.795 -0.212 -5.071 1.00 0.00 O ATOM 904 CB ASP A 62 -9.278 1.168 -8.019 1.00 0.00 C ATOM 905 CG ASP A 62 -9.246 0.756 -9.492 1.00 0.00 C ATOM 906 OD1 ASP A 62 -10.152 -0.008 -9.887 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.315 1.215 -10.189 1.00 0.00 O ATOM 0 H ASP A 62 -11.628 1.949 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.629 -0.421 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.290 2.256 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.355 0.834 -7.544 1.00 0.00 H new ATOM 912 N MET A 63 -10.259 1.995 -5.249 1.00 0.00 N ATOM 913 CA MET A 63 -9.982 2.279 -3.851 1.00 0.00 C ATOM 914 C MET A 63 -10.851 1.416 -2.933 1.00 0.00 C ATOM 915 O MET A 63 -10.336 0.592 -2.179 1.00 0.00 O ATOM 916 CB MET A 63 -10.251 3.758 -3.568 1.00 0.00 C ATOM 917 CG MET A 63 -9.624 4.185 -2.239 1.00 0.00 C ATOM 918 SD MET A 63 -9.938 5.917 -1.944 1.00 0.00 S ATOM 919 CE MET A 63 -11.657 6.005 -2.415 1.00 0.00 C ATOM 0 H MET A 63 -10.544 2.804 -5.801 1.00 0.00 H new ATOM 0 HA MET A 63 -8.936 2.047 -3.653 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.846 4.366 -4.377 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.326 3.937 -3.541 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.036 3.589 -1.425 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.550 4.000 -2.258 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.083 6.945 -2.064 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.740 5.953 -3.501 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.200 5.171 -1.969 1.00 0.00 H new ATOM 929 N GLU A 64 -12.154 1.636 -3.028 1.00 0.00 N ATOM 930 CA GLU A 64 -13.100 0.889 -2.216 1.00 0.00 C ATOM 931 C GLU A 64 -12.896 -0.615 -2.412 1.00 0.00 C ATOM 932 O GLU A 64 -12.899 -1.377 -1.447 1.00 0.00 O ATOM 933 CB GLU A 64 -14.539 1.294 -2.538 1.00 0.00 C ATOM 934 CG GLU A 64 -14.742 2.798 -2.342 1.00 0.00 C ATOM 935 CD GLU A 64 -16.200 3.115 -2.004 1.00 0.00 C ATOM 936 OE1 GLU A 64 -17.059 2.820 -2.863 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.424 3.646 -0.895 1.00 0.00 O ATOM 0 H GLU A 64 -12.577 2.321 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.917 1.127 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.775 1.022 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.228 0.744 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.094 3.155 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.451 3.329 -3.248 1.00 0.00 H new ATOM 944 N TYR A 65 -12.725 -0.997 -3.670 1.00 0.00 N ATOM 945 CA TYR A 65 -12.521 -2.396 -4.005 1.00 0.00 C ATOM 946 C TYR A 65 -11.412 -3.009 -3.148 1.00 0.00 C ATOM 947 O TYR A 65 -11.674 -3.871 -2.311 1.00 0.00 O ATOM 948 CB TYR A 65 -12.087 -2.419 -5.472 1.00 0.00 C ATOM 949 CG TYR A 65 -11.704 -3.808 -5.986 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.437 -4.304 -5.754 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.624 -4.565 -6.682 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.076 -5.611 -6.237 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.263 -5.872 -7.166 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.007 -6.331 -6.920 1.00 0.00 C ATOM 955 OH TYR A 65 -10.665 -7.566 -7.376 1.00 0.00 O ATOM 0 H TYR A 65 -12.724 -0.362 -4.468 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.431 -2.969 -3.829 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.897 -2.026 -6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.237 -1.749 -5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.716 -3.711 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.615 -4.177 -6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.088 -6.011 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.974 -6.474 -7.712 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.428 -7.965 -7.844 1.00 0.00 H new ATOM 965 N ALA A 66 -10.196 -2.541 -3.387 1.00 0.00 N ATOM 966 CA ALA A 66 -9.046 -3.033 -2.648 1.00 0.00 C ATOM 967 C ALA A 66 -9.287 -2.838 -1.149 1.00 0.00 C ATOM 968 O ALA A 66 -8.915 -3.688 -0.342 1.00 0.00 O ATOM 969 CB ALA A 66 -7.783 -2.318 -3.132 1.00 0.00 C ATOM 0 H ALA A 66 -9.982 -1.826 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.905 -4.099 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.921 -2.687 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.640 -2.511 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.887 -1.245 -2.969 1.00 0.00 H new ATOM 975 N LEU A 67 -9.909 -1.714 -0.824 1.00 0.00 N ATOM 976 CA LEU A 67 -10.204 -1.397 0.563 1.00 0.00 C ATOM 977 C LEU A 67 -10.908 -2.589 1.215 1.00 0.00 C ATOM 978 O LEU A 67 -10.424 -3.135 2.206 1.00 0.00 O ATOM 979 CB LEU A 67 -10.993 -0.090 0.658 1.00 0.00 C ATOM 980 CG LEU A 67 -10.166 1.197 0.612 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.064 2.418 0.398 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.299 1.336 1.865 1.00 0.00 C ATOM 0 H LEU A 67 -10.217 -1.012 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.282 -1.227 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.715 -0.064 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.563 -0.099 1.587 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.491 1.140 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.452 3.319 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.601 2.314 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.779 2.491 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.721 2.259 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.937 1.362 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.620 0.486 1.933 1.00 0.00 H new ATOM 994 N ARG A 68 -12.040 -2.958 0.633 1.00 0.00 N ATOM 995 CA ARG A 68 -12.816 -4.074 1.145 1.00 0.00 C ATOM 996 C ARG A 68 -12.110 -5.397 0.837 1.00 0.00 C ATOM 997 O ARG A 68 -11.665 -6.094 1.747 1.00 0.00 O ATOM 998 CB ARG A 68 -14.218 -4.098 0.534 1.00 0.00 C ATOM 999 CG ARG A 68 -14.892 -2.729 0.656 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.135 -2.367 2.122 1.00 0.00 C ATOM 1001 NE ARG A 68 -16.575 -2.113 2.350 1.00 0.00 N ATOM 1002 CZ ARG A 68 -17.139 -2.018 3.561 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -16.388 -2.155 4.662 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -18.454 -1.786 3.671 1.00 0.00 N ATOM 0 H ARG A 68 -12.438 -2.503 -0.189 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.905 -3.948 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.156 -4.385 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.825 -4.852 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.266 -1.969 0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.840 -2.737 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.794 -3.177 2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.555 -1.483 2.388 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.176 -2.003 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.387 -2.332 4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.817 -2.083 5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.025 -1.682 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.884 -1.714 4.593 1.00 0.00 H new ATOM 1018 N LYS A 69 -12.031 -5.701 -0.450 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.387 -6.927 -0.891 1.00 0.00 C ATOM 1020 C LYS A 69 -10.198 -7.231 0.024 1.00 0.00 C ATOM 1021 O LYS A 69 -10.172 -8.264 0.691 1.00 0.00 O ATOM 1022 CB LYS A 69 -11.015 -6.836 -2.372 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.135 -7.391 -3.254 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.248 -6.358 -3.443 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.455 -6.976 -4.152 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.304 -7.709 -3.187 1.00 0.00 N ATOM 0 H LYS A 69 -12.402 -5.120 -1.202 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.076 -7.768 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.819 -5.797 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.095 -7.391 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.730 -7.676 -4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.545 -8.294 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.553 -5.965 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.872 -5.516 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.038 -6.194 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.116 -7.654 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.118 -8.122 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.749 -8.468 -2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.642 -7.053 -2.454 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.244 -6.312 0.026 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.056 -6.468 0.847 1.00 0.00 C ATOM 1042 C LEU A 70 -8.453 -6.424 2.324 1.00 0.00 C ATOM 1043 O LEU A 70 -8.265 -7.398 3.051 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.998 -5.431 0.463 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.731 -5.270 -1.035 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.794 -4.089 -1.300 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.200 -6.570 -1.641 1.00 0.00 C ATOM 0 H LEU A 70 -9.270 -5.456 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.595 -7.440 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.303 -4.464 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.061 -5.698 0.952 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.677 -5.049 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.620 -3.996 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.249 -3.172 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.845 -4.257 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.019 -6.427 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.268 -6.847 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.934 -7.363 -1.501 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.994 -5.283 2.724 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.419 -5.098 4.101 1.00 0.00 C ATOM 1061 C ASP A 71 -8.774 -6.174 4.978 1.00 0.00 C ATOM 1062 O ASP A 71 -9.431 -7.140 5.365 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.938 -5.230 4.232 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.487 -5.011 5.642 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -10.654 -4.803 6.550 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.729 -5.056 5.781 1.00 0.00 O ATOM 0 H ASP A 71 -9.148 -4.477 2.118 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.115 -4.100 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.409 -4.513 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.232 -6.224 3.894 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.497 -5.971 5.265 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.756 -6.912 6.088 1.00 0.00 C ATOM 1073 C ASP A 72 -6.386 -8.136 5.249 1.00 0.00 C ATOM 1074 O ASP A 72 -7.235 -8.981 4.970 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.598 -7.388 7.273 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.797 -7.855 8.490 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.017 -7.027 9.008 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -6.982 -9.030 8.874 1.00 0.00 O ATOM 0 H ASP A 72 -6.956 -5.169 4.942 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.864 -6.406 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.257 -6.576 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.236 -8.207 6.940 1.00 0.00 H new ATOM 1083 N THR A 73 -5.118 -8.193 4.870 1.00 0.00 N ATOM 1084 CA THR A 73 -4.625 -9.300 4.068 1.00 0.00 C ATOM 1085 C THR A 73 -3.223 -9.707 4.527 1.00 0.00 C ATOM 1086 O THR A 73 -2.571 -8.975 5.270 1.00 0.00 O ATOM 1087 CB THR A 73 -4.686 -8.882 2.598 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.058 -7.603 2.574 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.115 -8.605 2.126 1.00 0.00 C ATOM 0 H THR A 73 -4.417 -7.490 5.103 1.00 0.00 H new ATOM 0 HA THR A 73 -5.245 -10.188 4.194 1.00 0.00 H new ATOM 0 HB THR A 73 -4.246 -9.665 1.980 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.525 -7.516 1.756 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.101 -8.312 1.076 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.718 -9.505 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.545 -7.800 2.721 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.801 -10.875 4.065 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.488 -11.389 4.418 1.00 0.00 C ATOM 1099 C LYS A 74 -0.477 -10.972 3.348 1.00 0.00 C ATOM 1100 O LYS A 74 -0.391 -11.597 2.293 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.549 -12.900 4.650 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.162 -13.463 4.965 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.242 -14.946 5.333 1.00 0.00 C ATOM 1104 CE LYS A 74 0.673 -15.783 4.437 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.013 -17.056 4.068 1.00 0.00 N ATOM 0 H LYS A 74 -3.345 -11.480 3.450 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.151 -10.958 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.229 -13.118 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.952 -13.391 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.491 -13.334 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.283 -12.904 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.042 -15.081 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.270 -15.294 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.923 -15.222 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.610 -15.989 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.647 -17.612 3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.204 -17.597 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.869 -16.854 3.555 1.00 0.00 H new ATOM 1119 N PHE A 75 0.263 -9.917 3.659 1.00 0.00 N ATOM 1120 CA PHE A 75 1.265 -9.409 2.737 1.00 0.00 C ATOM 1121 C PHE A 75 2.624 -10.065 2.988 1.00 0.00 C ATOM 1122 O PHE A 75 3.242 -9.843 4.028 1.00 0.00 O ATOM 1123 CB PHE A 75 1.383 -7.905 2.991 1.00 0.00 C ATOM 1124 CG PHE A 75 2.565 -7.245 2.277 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.732 -7.415 0.938 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.448 -6.488 2.982 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.829 -6.802 0.276 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.545 -5.876 2.320 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.713 -6.046 0.981 1.00 0.00 C ATOM 0 H PHE A 75 0.189 -9.401 4.536 1.00 0.00 H new ATOM 0 HA PHE A 75 0.971 -9.627 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.461 -7.419 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.478 -7.734 4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.031 -8.016 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.315 -6.352 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.961 -6.936 -0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.246 -5.275 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.548 -5.581 0.478 1.00 0.00 H new ATOM 1139 N ARG A 76 3.050 -10.860 2.018 1.00 0.00 N ATOM 1140 CA ARG A 76 4.324 -11.550 2.121 1.00 0.00 C ATOM 1141 C ARG A 76 5.408 -10.777 1.367 1.00 0.00 C ATOM 1142 O ARG A 76 5.396 -10.721 0.139 1.00 0.00 O ATOM 1143 CB ARG A 76 4.230 -12.968 1.553 1.00 0.00 C ATOM 1144 CG ARG A 76 5.451 -13.800 1.951 1.00 0.00 C ATOM 1145 CD ARG A 76 5.128 -15.295 1.926 1.00 0.00 C ATOM 1146 NE ARG A 76 5.551 -15.883 0.636 1.00 0.00 N ATOM 1147 CZ ARG A 76 5.168 -17.091 0.200 1.00 0.00 C ATOM 1148 NH1 ARG A 76 4.352 -17.846 0.947 1.00 0.00 N ATOM 1149 NH2 ARG A 76 5.602 -17.544 -0.985 1.00 0.00 N ATOM 0 H ARG A 76 2.535 -11.042 1.156 1.00 0.00 H new ATOM 0 HA ARG A 76 4.584 -11.611 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.323 -13.450 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.154 -12.924 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.276 -13.591 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.782 -13.512 2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.636 -15.799 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.058 -15.447 2.071 1.00 0.00 H new ATOM 0 HE ARG A 76 6.173 -15.335 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.022 -17.502 1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.061 -18.765 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.223 -16.969 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.311 -18.463 -1.317 1.00 0.00 H new ATOM 1163 N SER A 77 6.321 -10.201 2.135 1.00 0.00 N ATOM 1164 CA SER A 77 7.411 -9.433 1.556 1.00 0.00 C ATOM 1165 C SER A 77 8.353 -10.361 0.788 1.00 0.00 C ATOM 1166 O SER A 77 8.177 -11.579 0.798 1.00 0.00 O ATOM 1167 CB SER A 77 8.181 -8.669 2.634 1.00 0.00 C ATOM 1168 OG SER A 77 8.318 -9.429 3.832 1.00 0.00 O ATOM 0 H SER A 77 6.329 -10.251 3.154 1.00 0.00 H new ATOM 0 HA SER A 77 6.987 -8.703 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.169 -8.406 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.665 -7.734 2.854 1.00 0.00 H new ATOM 0 HG SER A 77 8.954 -8.984 4.431 1.00 0.00 H new ATOM 1174 N HIS A 78 9.334 -9.751 0.139 1.00 0.00 N ATOM 1175 CA HIS A 78 10.305 -10.508 -0.633 1.00 0.00 C ATOM 1176 C HIS A 78 11.246 -11.254 0.315 1.00 0.00 C ATOM 1177 O HIS A 78 12.000 -12.127 -0.113 1.00 0.00 O ATOM 1178 CB HIS A 78 11.050 -9.597 -1.611 1.00 0.00 C ATOM 1179 CG HIS A 78 12.040 -8.666 -0.952 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.324 -8.476 -1.430 1.00 0.00 N ATOM 1181 CD2 HIS A 78 11.919 -7.875 0.153 1.00 0.00 C ATOM 1182 CE1 HIS A 78 13.940 -7.608 -0.642 1.00 0.00 C ATOM 1183 NE2 HIS A 78 13.068 -7.237 0.339 1.00 0.00 N ATOM 0 H HIS A 78 9.477 -8.741 0.132 1.00 0.00 H new ATOM 0 HA HIS A 78 9.791 -11.253 -1.240 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.577 -10.215 -2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.322 -9.004 -2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.038 -7.784 0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 78 14.955 -7.256 -0.756 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.266 -6.578 1.092 1.00 0.00 H new ATOM 1191 N GLU A 79 11.170 -10.884 1.585 1.00 0.00 N ATOM 1192 CA GLU A 79 12.004 -11.508 2.597 1.00 0.00 C ATOM 1193 C GLU A 79 11.340 -12.782 3.123 1.00 0.00 C ATOM 1194 O GLU A 79 11.881 -13.453 4.000 1.00 0.00 O ATOM 1195 CB GLU A 79 12.302 -10.534 3.739 1.00 0.00 C ATOM 1196 CG GLU A 79 12.411 -9.099 3.221 1.00 0.00 C ATOM 1197 CD GLU A 79 11.167 -8.287 3.591 1.00 0.00 C ATOM 1198 OE1 GLU A 79 10.481 -8.704 4.548 1.00 0.00 O ATOM 1199 OE2 GLU A 79 10.932 -7.267 2.907 1.00 0.00 O ATOM 0 H GLU A 79 10.543 -10.160 1.936 1.00 0.00 H new ATOM 0 HA GLU A 79 12.954 -11.781 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.513 -10.595 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.232 -10.818 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.298 -8.624 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.535 -9.108 2.138 1.00 0.00 H new ATOM 1206 N GLY A 80 10.175 -13.077 2.563 1.00 0.00 N ATOM 1207 CA GLY A 80 9.431 -14.259 2.964 1.00 0.00 C ATOM 1208 C GLY A 80 8.538 -13.961 4.170 1.00 0.00 C ATOM 1209 O GLY A 80 7.620 -14.723 4.470 1.00 0.00 O ATOM 0 H GLY A 80 9.729 -12.518 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.820 -14.608 2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.124 -15.063 3.210 1.00 0.00 H new ATOM 1213 N GLU A 81 8.838 -12.852 4.829 1.00 0.00 N ATOM 1214 CA GLU A 81 8.073 -12.444 5.995 1.00 0.00 C ATOM 1215 C GLU A 81 6.653 -12.047 5.587 1.00 0.00 C ATOM 1216 O GLU A 81 6.447 -11.476 4.517 1.00 0.00 O ATOM 1217 CB GLU A 81 8.770 -11.301 6.735 1.00 0.00 C ATOM 1218 CG GLU A 81 9.894 -11.830 7.629 1.00 0.00 C ATOM 1219 CD GLU A 81 10.153 -10.885 8.803 1.00 0.00 C ATOM 1220 OE1 GLU A 81 9.177 -10.608 9.534 1.00 0.00 O ATOM 1221 OE2 GLU A 81 11.320 -10.460 8.943 1.00 0.00 O ATOM 0 H GLU A 81 9.601 -12.223 4.578 1.00 0.00 H new ATOM 0 HA GLU A 81 8.010 -13.291 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.177 -10.592 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.044 -10.759 7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.630 -12.818 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.806 -11.945 7.043 1.00 0.00 H new ATOM 1228 N THR A 82 5.710 -12.366 6.461 1.00 0.00 N ATOM 1229 CA THR A 82 4.315 -12.050 6.205 1.00 0.00 C ATOM 1230 C THR A 82 3.718 -11.275 7.382 1.00 0.00 C ATOM 1231 O THR A 82 3.935 -11.634 8.539 1.00 0.00 O ATOM 1232 CB THR A 82 3.581 -13.358 5.904 1.00 0.00 C ATOM 1233 OG1 THR A 82 3.820 -14.163 7.056 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.228 -14.143 4.761 1.00 0.00 C ATOM 0 H THR A 82 5.884 -12.840 7.347 1.00 0.00 H new ATOM 0 HA THR A 82 4.211 -11.395 5.340 1.00 0.00 H new ATOM 0 HB THR A 82 2.542 -13.142 5.654 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.378 -15.031 6.946 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.668 -15.062 4.588 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.221 -13.538 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.257 -14.389 5.025 1.00 0.00 H new ATOM 1242 N SER A 83 2.979 -10.228 7.047 1.00 0.00 N ATOM 1243 CA SER A 83 2.350 -9.400 8.062 1.00 0.00 C ATOM 1244 C SER A 83 0.945 -8.996 7.611 1.00 0.00 C ATOM 1245 O SER A 83 0.701 -8.812 6.419 1.00 0.00 O ATOM 1246 CB SER A 83 3.191 -8.156 8.357 1.00 0.00 C ATOM 1247 OG SER A 83 4.530 -8.489 8.712 1.00 0.00 O ATOM 0 H SER A 83 2.802 -9.934 6.087 1.00 0.00 H new ATOM 0 HA SER A 83 2.276 -9.982 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.199 -7.508 7.481 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.731 -7.591 9.168 1.00 0.00 H new ATOM 0 HG SER A 83 4.885 -7.810 9.323 1.00 0.00 H new ATOM 1253 N TYR A 84 0.058 -8.870 8.587 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.316 -8.492 8.305 1.00 0.00 C ATOM 1255 C TYR A 84 -1.443 -6.976 8.135 1.00 0.00 C ATOM 1256 O TYR A 84 -1.278 -6.224 9.094 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.131 -8.926 9.525 1.00 0.00 C ATOM 1258 CG TYR A 84 -2.929 -10.214 9.313 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -2.517 -11.134 8.371 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.062 -10.456 10.064 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.267 -12.347 8.172 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -4.812 -11.668 9.865 1.00 0.00 C ATOM 1263 CZ TYR A 84 -4.378 -12.554 8.928 1.00 0.00 C ATOM 1264 OH TYR A 84 -5.088 -13.699 8.740 1.00 0.00 O ATOM 0 H TYR A 84 0.264 -9.023 9.574 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.662 -8.960 7.383 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.456 -9.064 10.370 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.819 -8.124 9.794 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.631 -10.944 7.783 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.385 -9.736 10.801 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.954 -13.076 7.439 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.699 -11.870 10.446 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.855 -13.712 9.350 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.735 -6.574 6.907 1.00 0.00 N ATOM 1275 CA ILE A 85 -1.887 -5.162 6.598 1.00 0.00 C ATOM 1276 C ILE A 85 -3.363 -4.856 6.342 1.00 0.00 C ATOM 1277 O ILE A 85 -4.034 -5.582 5.610 1.00 0.00 O ATOM 1278 CB ILE A 85 -0.967 -4.765 5.442 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.383 -5.462 4.145 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.499 -5.030 5.791 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.883 -4.691 2.923 1.00 0.00 C ATOM 0 H ILE A 85 -1.870 -7.201 6.114 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.577 -4.551 7.446 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.069 -3.692 5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.983 -6.476 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.469 -5.547 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.131 -4.739 4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.774 -4.449 6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.638 -6.091 5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.192 -5.208 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.304 -3.686 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.205 -4.629 2.952 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.827 -3.779 6.960 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.213 -3.368 6.808 1.00 0.00 C ATOM 1295 C ARG A 86 -5.332 -2.298 5.721 1.00 0.00 C ATOM 1296 O ARG A 86 -4.381 -1.563 5.460 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.770 -2.815 8.121 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.720 -3.819 8.779 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.158 -3.295 8.777 1.00 0.00 C ATOM 1300 NE ARG A 86 -8.571 -2.947 10.155 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.767 -2.433 10.473 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -10.675 -2.206 9.515 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -10.055 -2.147 11.750 1.00 0.00 N ATOM 0 H ARG A 86 -3.268 -3.179 7.567 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.791 -4.247 6.523 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.949 -2.586 8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.297 -1.880 7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.675 -4.770 8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.400 -4.010 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.234 -2.419 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.829 -4.050 8.367 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.904 -3.108 10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.456 -2.424 8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.585 -1.815 9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.364 -2.321 12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.965 -1.756 11.992 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.510 -2.243 5.116 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.767 -1.275 4.063 1.00 0.00 C ATOM 1319 C VAL A 87 -7.966 -0.409 4.454 1.00 0.00 C ATOM 1320 O VAL A 87 -9.068 -0.919 4.647 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.959 -1.994 2.727 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.576 -1.087 1.556 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.168 -3.303 2.689 1.00 0.00 C ATOM 0 H VAL A 87 -7.297 -2.853 5.335 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.913 -0.610 3.939 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.016 -2.240 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.722 -1.623 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.203 -0.196 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.530 -0.796 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.322 -3.794 1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.107 -3.091 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.510 -3.958 3.490 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.710 0.887 4.560 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.754 1.829 4.924 1.00 0.00 C ATOM 1335 C TYR A 88 -8.453 3.223 4.370 1.00 0.00 C ATOM 1336 O TYR A 88 -7.295 3.565 4.136 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.752 1.890 6.453 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.434 2.381 7.055 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.378 1.507 7.211 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -7.301 3.700 7.441 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -5.138 1.969 7.777 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -6.061 4.162 8.008 1.00 0.00 C ATOM 1343 CZ TYR A 88 -5.040 3.274 8.148 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.869 3.711 8.683 1.00 0.00 O ATOM 0 H TYR A 88 -6.794 1.306 4.400 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.715 1.512 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.557 2.548 6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.972 0.897 6.846 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.482 0.476 6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.127 4.385 7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.304 1.295 7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.944 5.191 8.315 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.242 2.962 8.753 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.544 4.010 4.171 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.408 5.359 3.648 1.00 0.00 C ATOM 1356 C PRO A 89 -8.874 6.311 4.720 1.00 0.00 C ATOM 1357 O PRO A 89 -8.723 5.926 5.879 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.798 5.734 3.160 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.754 4.771 3.845 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.931 3.638 4.437 1.00 0.00 C ATOM 0 HA PRO A 89 -8.684 5.424 2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.036 6.767 3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.868 5.648 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.316 5.283 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.481 4.382 3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.115 3.532 5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.181 2.683 3.974 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.602 7.537 4.296 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.088 8.547 5.205 1.00 0.00 C ATOM 1370 C GLU A 90 -9.243 9.304 5.865 1.00 0.00 C ATOM 1371 O GLU A 90 -10.324 9.419 5.290 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.145 9.508 4.480 1.00 0.00 C ATOM 1373 CG GLU A 90 -6.995 10.819 5.255 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.971 11.738 4.586 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -4.793 11.325 4.525 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -6.390 12.832 4.151 1.00 0.00 O ATOM 0 H GLU A 90 -8.728 7.853 3.335 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.514 8.048 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.168 9.041 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.528 9.714 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.959 11.324 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.685 10.607 6.278 1.00 0.00 H new