USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 53 CYS SG : rot 125:sc= 1.41 USER MOD Set 1.2: A 61 CYS SG : rot -160:sc= 0.847 USER MOD Set 1.3: A 66 CYS SG : rot 123:sc= 1.32 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.284 K(o=3.9,f=2.5) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.73 K(o=0.73,f=0) USER MOD Set 2.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 SER OG : rot -44:sc= 0.688 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 0.959 USER MOD Set 4.1: A 19 CYS SG : rot 128:sc= 1.32 USER MOD Set 4.2: A 27 CYS SG : rot 121:sc= 1.41 USER MOD Set 4.3: A 34 CYS SG : rot 130:sc= 1.45 USER MOD Set 4.4: A 38 HIS : no HD1:sc= -0.0778 K(o=4.1,f=3.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.834 K(o=0.83,f=-0.13) USER MOD Single : A 26 THR OG1 : rot -40:sc= 0.355 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.65) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0.337 K(o=0.34,f=-2.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.12) USER MOD Single : A 82 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.801 -0.263 -15.543 1.00 0.00 N ATOM 191 CA TRP A 13 -18.961 -1.053 -16.769 1.00 0.00 C ATOM 192 C TRP A 13 -18.224 -2.407 -16.725 1.00 0.00 C ATOM 193 O TRP A 13 -18.619 -3.351 -17.410 1.00 0.00 O ATOM 194 CB TRP A 13 -18.543 -0.185 -17.977 1.00 0.00 C ATOM 195 CG TRP A 13 -17.327 -0.569 -18.772 1.00 0.00 C ATOM 196 CD1 TRP A 13 -17.274 -1.616 -19.624 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.027 0.098 -18.891 1.00 0.00 C ATOM 198 NE1 TRP A 13 -16.058 -1.642 -20.271 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.249 -0.607 -19.863 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.420 1.224 -18.290 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -13.950 -0.218 -20.223 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.109 1.614 -18.635 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.375 0.899 -19.598 1.00 0.00 C ATOM 0 HA TRP A 13 -20.012 -1.325 -16.870 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.388 -0.153 -18.665 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.389 0.831 -17.613 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -18.070 -2.330 -19.776 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.791 -2.340 -20.965 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.968 1.795 -17.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.400 -0.771 -20.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -13.664 2.472 -18.154 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.373 1.208 -19.856 1.00 0.00 H new ATOM 214 N LEU A 14 -17.165 -2.500 -15.912 1.00 0.00 N ATOM 215 CA LEU A 14 -16.294 -3.669 -15.760 1.00 0.00 C ATOM 216 C LEU A 14 -16.710 -4.642 -14.642 1.00 0.00 C ATOM 217 O LEU A 14 -16.236 -5.776 -14.627 1.00 0.00 O ATOM 218 CB LEU A 14 -14.863 -3.160 -15.483 1.00 0.00 C ATOM 219 CG LEU A 14 -14.242 -2.336 -16.626 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.908 -1.748 -16.175 1.00 0.00 C ATOM 221 CD2 LEU A 14 -13.982 -3.176 -17.876 1.00 0.00 C ATOM 0 H LEU A 14 -16.879 -1.724 -15.314 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.366 -4.240 -16.685 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.877 -2.550 -14.580 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.220 -4.016 -15.280 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.959 -1.553 -16.872 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.473 -1.166 -16.988 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.068 -1.102 -15.312 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.228 -2.555 -15.903 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.544 -2.548 -18.652 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.294 -3.986 -17.633 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.922 -3.594 -18.236 1.00 0.00 H new ATOM 233 N THR A 15 -17.554 -4.221 -13.696 1.00 0.00 N ATOM 234 CA THR A 15 -17.995 -5.034 -12.544 1.00 0.00 C ATOM 235 C THR A 15 -19.085 -6.041 -12.948 1.00 0.00 C ATOM 236 O THR A 15 -20.274 -5.863 -12.675 1.00 0.00 O ATOM 237 CB THR A 15 -18.394 -4.152 -11.346 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.403 -3.181 -11.082 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.526 -4.940 -10.043 1.00 0.00 C ATOM 0 H THR A 15 -17.962 -3.286 -13.704 1.00 0.00 H new ATOM 0 HA THR A 15 -17.145 -5.628 -12.208 1.00 0.00 H new ATOM 0 HB THR A 15 -19.350 -3.714 -11.632 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.678 -2.632 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.809 -4.264 -9.236 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.291 -5.708 -10.158 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.572 -5.411 -9.804 1.00 0.00 H new ATOM 247 N LEU A 16 -18.666 -7.102 -13.642 1.00 0.00 N ATOM 248 CA LEU A 16 -19.483 -8.196 -14.176 1.00 0.00 C ATOM 249 C LEU A 16 -19.921 -9.180 -13.076 1.00 0.00 C ATOM 250 O LEU A 16 -19.196 -9.409 -12.110 1.00 0.00 O ATOM 251 CB LEU A 16 -18.617 -8.905 -15.233 1.00 0.00 C ATOM 252 CG LEU A 16 -19.358 -9.813 -16.229 1.00 0.00 C ATOM 253 CD1 LEU A 16 -20.622 -9.189 -16.829 1.00 0.00 C ATOM 254 CD2 LEU A 16 -18.406 -10.105 -17.388 1.00 0.00 C ATOM 0 H LEU A 16 -17.678 -7.229 -13.861 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.404 -7.806 -14.609 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.079 -8.145 -15.799 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.869 -9.505 -14.715 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.666 -10.700 -15.676 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -21.083 -9.895 -17.520 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.325 -8.951 -16.030 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.359 -8.277 -17.364 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.903 -10.749 -18.114 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.120 -9.169 -17.869 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.515 -10.606 -17.010 1.00 0.00 H new ATOM 266 N GLU A 17 -21.101 -9.789 -13.197 1.00 0.00 N ATOM 267 CA GLU A 17 -21.580 -10.753 -12.192 1.00 0.00 C ATOM 268 C GLU A 17 -20.849 -12.100 -12.254 1.00 0.00 C ATOM 269 O GLU A 17 -20.431 -12.535 -13.329 1.00 0.00 O ATOM 270 CB GLU A 17 -23.082 -11.013 -12.335 1.00 0.00 C ATOM 271 CG GLU A 17 -23.928 -9.735 -12.326 1.00 0.00 C ATOM 272 CD GLU A 17 -25.276 -9.935 -11.616 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.691 -9.012 -10.872 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.902 -11.011 -11.778 1.00 0.00 O ATOM 0 H GLU A 17 -21.743 -9.637 -13.975 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.369 -10.289 -11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.262 -11.552 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.409 -11.661 -11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.373 -8.938 -11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -24.104 -9.411 -13.352 1.00 0.00 H new ATOM 281 N VAL A 18 -20.744 -12.788 -11.110 1.00 0.00 N ATOM 282 CA VAL A 18 -20.160 -14.140 -11.041 1.00 0.00 C ATOM 283 C VAL A 18 -21.192 -15.210 -11.417 1.00 0.00 C ATOM 284 O VAL A 18 -22.401 -15.022 -11.213 1.00 0.00 O ATOM 285 CB VAL A 18 -19.574 -14.477 -9.651 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.542 -13.438 -9.210 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.616 -14.649 -8.538 1.00 0.00 C ATOM 0 H VAL A 18 -21.059 -12.428 -10.209 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.342 -14.141 -11.761 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.100 -15.448 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.151 -13.707 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.725 -13.409 -9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.014 -12.457 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.112 -14.883 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.183 -13.725 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.295 -15.461 -8.798 1.00 0.00 H new ATOM 297 N CYS A 19 -20.725 -16.354 -11.925 1.00 0.00 N ATOM 298 CA CYS A 19 -21.603 -17.484 -12.217 1.00 0.00 C ATOM 299 C CYS A 19 -22.022 -18.170 -10.905 1.00 0.00 C ATOM 300 O CYS A 19 -21.197 -18.381 -10.008 1.00 0.00 O ATOM 301 CB CYS A 19 -20.901 -18.461 -13.156 1.00 0.00 C ATOM 302 SG CYS A 19 -22.058 -19.764 -13.676 1.00 0.00 S ATOM 0 H CYS A 19 -19.742 -16.519 -12.142 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.504 -17.127 -12.716 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.522 -17.930 -14.029 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.041 -18.906 -12.655 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.062 -19.848 -14.973 1.00 0.00 H new ATOM 307 N ARG A 20 -23.312 -18.495 -10.785 1.00 0.00 N ATOM 308 CA ARG A 20 -23.927 -19.099 -9.593 1.00 0.00 C ATOM 309 C ARG A 20 -23.526 -20.561 -9.394 1.00 0.00 C ATOM 310 O ARG A 20 -23.257 -20.978 -8.269 1.00 0.00 O ATOM 311 CB ARG A 20 -25.461 -18.990 -9.680 1.00 0.00 C ATOM 312 CG ARG A 20 -26.043 -17.563 -9.607 1.00 0.00 C ATOM 313 CD ARG A 20 -25.729 -16.674 -10.823 1.00 0.00 C ATOM 314 NE ARG A 20 -26.636 -15.512 -10.891 1.00 0.00 N ATOM 315 CZ ARG A 20 -26.330 -14.258 -11.180 1.00 0.00 C ATOM 316 NH1 ARG A 20 -27.257 -13.352 -11.242 1.00 0.00 N ATOM 317 NH2 ARG A 20 -25.125 -13.826 -11.412 1.00 0.00 N ATOM 0 H ARG A 20 -23.982 -18.341 -11.538 1.00 0.00 H new ATOM 0 HA ARG A 20 -23.558 -18.543 -8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -25.785 -19.446 -10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -25.894 -19.579 -8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.125 -17.633 -9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.661 -17.076 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.697 -16.329 -10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -25.818 -17.261 -11.737 1.00 0.00 H new ATOM 0 HE ARG A 20 -27.619 -15.699 -10.691 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -28.230 -13.605 -11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -27.013 -12.387 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.336 -14.472 -11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.969 -12.842 -11.629 1.00 0.00 H new ATOM 331 N GLU A 21 -23.470 -21.343 -10.469 1.00 0.00 N ATOM 332 CA GLU A 21 -23.101 -22.768 -10.443 1.00 0.00 C ATOM 333 C GLU A 21 -21.599 -22.963 -10.188 1.00 0.00 C ATOM 334 O GLU A 21 -21.185 -23.893 -9.490 1.00 0.00 O ATOM 335 CB GLU A 21 -23.517 -23.432 -11.761 1.00 0.00 C ATOM 336 CG GLU A 21 -25.018 -23.310 -12.084 1.00 0.00 C ATOM 337 CD GLU A 21 -25.906 -23.996 -11.029 1.00 0.00 C ATOM 338 OE1 GLU A 21 -26.406 -23.309 -10.104 1.00 0.00 O ATOM 339 OE2 GLU A 21 -26.102 -25.232 -11.092 1.00 0.00 O ATOM 0 H GLU A 21 -23.683 -21.002 -11.406 1.00 0.00 H new ATOM 0 HA GLU A 21 -23.631 -23.242 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.944 -22.988 -12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.250 -24.488 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.287 -22.256 -12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.213 -23.752 -13.061 1.00 0.00 H new ATOM 346 N PHE A 22 -20.776 -22.042 -10.691 1.00 0.00 N ATOM 347 CA PHE A 22 -19.333 -22.019 -10.460 1.00 0.00 C ATOM 348 C PHE A 22 -18.997 -21.842 -8.970 1.00 0.00 C ATOM 349 O PHE A 22 -17.965 -22.336 -8.513 1.00 0.00 O ATOM 350 CB PHE A 22 -18.739 -20.893 -11.305 1.00 0.00 C ATOM 351 CG PHE A 22 -17.231 -20.767 -11.256 1.00 0.00 C ATOM 352 CD1 PHE A 22 -16.630 -19.747 -10.493 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.428 -21.660 -11.990 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.231 -19.622 -10.467 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.027 -21.533 -11.963 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.430 -20.512 -11.204 1.00 0.00 C ATOM 0 H PHE A 22 -21.101 -21.277 -11.282 1.00 0.00 H new ATOM 0 HA PHE A 22 -18.899 -22.974 -10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.040 -21.043 -12.342 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.176 -19.949 -10.979 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.244 -19.061 -9.928 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.888 -22.443 -12.574 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.770 -18.841 -9.880 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.411 -22.219 -12.525 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.355 -20.411 -11.187 1.00 0.00 H new ATOM 366 N GLN A 23 -19.887 -21.212 -8.185 1.00 0.00 N ATOM 367 CA GLN A 23 -19.695 -21.050 -6.729 1.00 0.00 C ATOM 368 C GLN A 23 -19.593 -22.387 -5.966 1.00 0.00 C ATOM 369 O GLN A 23 -19.034 -22.426 -4.867 1.00 0.00 O ATOM 370 CB GLN A 23 -20.797 -20.191 -6.079 1.00 0.00 C ATOM 371 CG GLN A 23 -20.966 -18.782 -6.665 1.00 0.00 C ATOM 372 CD GLN A 23 -19.642 -18.036 -6.823 1.00 0.00 C ATOM 373 OE1 GLN A 23 -18.942 -17.736 -5.864 1.00 0.00 O ATOM 374 NE2 GLN A 23 -19.243 -17.721 -8.035 1.00 0.00 N ATOM 0 H GLN A 23 -20.753 -20.803 -8.535 1.00 0.00 H new ATOM 0 HA GLN A 23 -18.738 -20.535 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.746 -20.719 -6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.582 -20.100 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.453 -18.855 -7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.627 -18.204 -6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -19.818 -17.966 -8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.358 -17.232 -8.170 1.00 0.00 H new ATOM 383 N ARG A 24 -20.097 -23.485 -6.553 1.00 0.00 N ATOM 384 CA ARG A 24 -20.039 -24.856 -6.009 1.00 0.00 C ATOM 385 C ARG A 24 -19.228 -25.804 -6.912 1.00 0.00 C ATOM 386 O ARG A 24 -19.292 -27.023 -6.750 1.00 0.00 O ATOM 387 CB ARG A 24 -21.460 -25.396 -5.737 1.00 0.00 C ATOM 388 CG ARG A 24 -22.321 -24.517 -4.805 1.00 0.00 C ATOM 389 CD ARG A 24 -23.342 -23.653 -5.558 1.00 0.00 C ATOM 390 NE ARG A 24 -24.382 -24.485 -6.199 1.00 0.00 N ATOM 391 CZ ARG A 24 -25.181 -24.130 -7.187 1.00 0.00 C ATOM 392 NH1 ARG A 24 -25.969 -24.984 -7.766 1.00 0.00 N ATOM 393 NH2 ARG A 24 -25.219 -22.928 -7.670 1.00 0.00 N ATOM 0 H ARG A 24 -20.574 -23.443 -7.453 1.00 0.00 H new ATOM 0 HA ARG A 24 -19.510 -24.811 -5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -21.979 -25.508 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -21.377 -26.391 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -22.848 -25.157 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -21.667 -23.869 -4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -23.809 -22.953 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -22.830 -23.059 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 24 -24.494 -25.433 -5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -25.981 -25.957 -7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.577 -24.682 -8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -24.612 -22.204 -7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -25.856 -22.706 -8.435 1.00 0.00 H new ATOM 407 N GLY A 25 -18.469 -25.254 -7.868 1.00 0.00 N ATOM 408 CA GLY A 25 -17.637 -26.001 -8.819 1.00 0.00 C ATOM 409 C GLY A 25 -18.417 -26.992 -9.691 1.00 0.00 C ATOM 410 O GLY A 25 -17.923 -28.089 -9.959 1.00 0.00 O ATOM 0 H GLY A 25 -18.416 -24.245 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.120 -25.293 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.871 -26.545 -8.266 1.00 0.00 H new ATOM 414 N THR A 26 -19.642 -26.634 -10.101 1.00 0.00 N ATOM 415 CA THR A 26 -20.550 -27.511 -10.872 1.00 0.00 C ATOM 416 C THR A 26 -21.099 -26.881 -12.168 1.00 0.00 C ATOM 417 O THR A 26 -22.027 -27.422 -12.776 1.00 0.00 O ATOM 418 CB THR A 26 -21.648 -28.055 -9.932 1.00 0.00 C ATOM 419 OG1 THR A 26 -22.353 -29.133 -10.512 1.00 0.00 O ATOM 420 CG2 THR A 26 -22.660 -27.004 -9.468 1.00 0.00 C ATOM 0 H THR A 26 -20.040 -25.715 -9.906 1.00 0.00 H new ATOM 0 HA THR A 26 -19.964 -28.350 -11.246 1.00 0.00 H new ATOM 0 HB THR A 26 -21.097 -28.393 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 26 -22.513 -28.947 -11.461 1.00 0.00 H new ATOM 0 HG21 THR A 26 -23.395 -27.471 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 26 -22.141 -26.213 -8.926 1.00 0.00 H new ATOM 0 HG23 THR A 26 -23.166 -26.578 -10.335 1.00 0.00 H new ATOM 428 N CYS A 27 -20.527 -25.756 -12.622 1.00 0.00 N ATOM 429 CA CYS A 27 -20.919 -25.094 -13.870 1.00 0.00 C ATOM 430 C CYS A 27 -20.660 -25.996 -15.105 1.00 0.00 C ATOM 431 O CYS A 27 -19.629 -26.675 -15.202 1.00 0.00 O ATOM 432 CB CYS A 27 -20.202 -23.736 -13.964 1.00 0.00 C ATOM 433 SG CYS A 27 -20.902 -22.777 -15.343 1.00 0.00 S ATOM 0 H CYS A 27 -19.774 -25.278 -12.128 1.00 0.00 H new ATOM 0 HA CYS A 27 -21.994 -24.914 -13.863 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.316 -23.187 -13.030 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.133 -23.886 -14.117 1.00 0.00 H new ATOM 0 HG CYS A 27 -21.387 -21.658 -14.892 1.00 0.00 H new ATOM 438 N SER A 28 -21.612 -26.020 -16.041 1.00 0.00 N ATOM 439 CA SER A 28 -21.600 -26.842 -17.266 1.00 0.00 C ATOM 440 C SER A 28 -20.698 -26.327 -18.405 1.00 0.00 C ATOM 441 O SER A 28 -20.609 -26.983 -19.447 1.00 0.00 O ATOM 442 CB SER A 28 -23.031 -26.978 -17.808 1.00 0.00 C ATOM 443 OG SER A 28 -23.906 -27.517 -16.825 1.00 0.00 O ATOM 0 H SER A 28 -22.451 -25.444 -15.968 1.00 0.00 H new ATOM 0 HA SER A 28 -21.178 -27.798 -16.955 1.00 0.00 H new ATOM 0 HB2 SER A 28 -23.396 -26.002 -18.127 1.00 0.00 H new ATOM 0 HB3 SER A 28 -23.029 -27.621 -18.688 1.00 0.00 H new ATOM 0 HG SER A 28 -24.810 -27.591 -17.197 1.00 0.00 H new ATOM 449 N ARG A 29 -20.043 -25.167 -18.252 1.00 0.00 N ATOM 450 CA ARG A 29 -19.200 -24.514 -19.271 1.00 0.00 C ATOM 451 C ARG A 29 -17.870 -23.994 -18.693 1.00 0.00 C ATOM 452 O ARG A 29 -17.839 -23.568 -17.537 1.00 0.00 O ATOM 453 CB ARG A 29 -19.980 -23.313 -19.832 1.00 0.00 C ATOM 454 CG ARG A 29 -21.170 -23.706 -20.719 1.00 0.00 C ATOM 455 CD ARG A 29 -21.806 -22.439 -21.295 1.00 0.00 C ATOM 456 NE ARG A 29 -22.911 -22.739 -22.224 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.377 -21.939 -23.168 1.00 0.00 C ATOM 458 NH1 ARG A 29 -24.398 -22.307 -23.888 1.00 0.00 N ATOM 459 NH2 ARG A 29 -22.859 -20.769 -23.422 1.00 0.00 N ATOM 0 H ARG A 29 -20.086 -24.635 -17.383 1.00 0.00 H new ATOM 0 HA ARG A 29 -18.965 -25.252 -20.037 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -20.342 -22.707 -19.001 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -19.299 -22.687 -20.410 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -20.838 -24.360 -21.525 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -21.904 -24.264 -20.138 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -22.178 -21.819 -20.479 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -21.045 -21.858 -21.815 1.00 0.00 H new ATOM 0 HE ARG A 29 -23.359 -23.651 -22.129 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -24.838 -23.212 -23.724 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -24.757 -21.690 -24.616 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -22.060 -20.437 -22.882 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -23.253 -20.186 -24.161 1.00 0.00 H new ATOM 473 N PRO A 30 -16.773 -23.977 -19.479 1.00 0.00 N ATOM 474 CA PRO A 30 -15.514 -23.368 -19.049 1.00 0.00 C ATOM 475 C PRO A 30 -15.668 -21.835 -18.962 1.00 0.00 C ATOM 476 O PRO A 30 -16.613 -21.252 -19.503 1.00 0.00 O ATOM 477 CB PRO A 30 -14.485 -23.780 -20.108 1.00 0.00 C ATOM 478 CG PRO A 30 -15.325 -23.932 -21.374 1.00 0.00 C ATOM 479 CD PRO A 30 -16.652 -24.477 -20.842 1.00 0.00 C ATOM 0 HA PRO A 30 -15.205 -23.698 -18.057 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.708 -23.025 -20.229 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.986 -24.712 -19.842 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.457 -22.980 -21.888 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.863 -24.617 -22.085 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.487 -24.140 -21.457 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.662 -25.567 -20.860 1.00 0.00 H new ATOM 487 N ASP A 31 -14.710 -21.161 -18.317 1.00 0.00 N ATOM 488 CA ASP A 31 -14.693 -19.694 -18.166 1.00 0.00 C ATOM 489 C ASP A 31 -14.818 -18.921 -19.494 1.00 0.00 C ATOM 490 O ASP A 31 -15.356 -17.815 -19.525 1.00 0.00 O ATOM 491 CB ASP A 31 -13.429 -19.261 -17.409 1.00 0.00 C ATOM 492 CG ASP A 31 -12.124 -19.551 -18.173 1.00 0.00 C ATOM 493 OD1 ASP A 31 -11.536 -18.605 -18.747 1.00 0.00 O ATOM 494 OD2 ASP A 31 -11.679 -20.724 -18.184 1.00 0.00 O ATOM 0 H ASP A 31 -13.912 -21.621 -17.878 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.583 -19.436 -17.592 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.488 -18.193 -17.200 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.398 -19.773 -16.447 1.00 0.00 H new ATOM 499 N THR A 32 -14.353 -19.514 -20.595 1.00 0.00 N ATOM 500 CA THR A 32 -14.406 -18.962 -21.958 1.00 0.00 C ATOM 501 C THR A 32 -15.773 -19.072 -22.651 1.00 0.00 C ATOM 502 O THR A 32 -15.939 -18.506 -23.730 1.00 0.00 O ATOM 503 CB THR A 32 -13.367 -19.658 -22.858 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.404 -21.061 -22.668 1.00 0.00 O ATOM 505 CG2 THR A 32 -11.949 -19.179 -22.551 1.00 0.00 C ATOM 0 H THR A 32 -13.909 -20.432 -20.564 1.00 0.00 H new ATOM 0 HA THR A 32 -14.194 -17.901 -21.829 1.00 0.00 H new ATOM 0 HB THR A 32 -13.622 -19.406 -23.887 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.739 -21.487 -23.248 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.243 -19.691 -23.204 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.884 -18.104 -22.718 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.707 -19.400 -21.511 1.00 0.00 H new ATOM 513 N GLU A 33 -16.743 -19.795 -22.080 1.00 0.00 N ATOM 514 CA GLU A 33 -18.044 -20.104 -22.707 1.00 0.00 C ATOM 515 C GLU A 33 -19.299 -19.709 -21.906 1.00 0.00 C ATOM 516 O GLU A 33 -20.381 -19.621 -22.499 1.00 0.00 O ATOM 517 CB GLU A 33 -18.071 -21.627 -22.952 1.00 0.00 C ATOM 518 CG GLU A 33 -17.267 -22.073 -24.183 1.00 0.00 C ATOM 519 CD GLU A 33 -17.992 -21.785 -25.513 1.00 0.00 C ATOM 520 OE1 GLU A 33 -19.136 -22.259 -25.709 1.00 0.00 O ATOM 521 OE2 GLU A 33 -17.427 -21.077 -26.382 1.00 0.00 O ATOM 0 H GLU A 33 -16.648 -20.194 -21.146 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.100 -19.502 -23.614 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.679 -22.134 -22.071 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.106 -21.948 -23.070 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.303 -21.565 -24.184 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.064 -23.141 -24.110 1.00 0.00 H new ATOM 528 N CYS A 34 -19.200 -19.503 -20.589 1.00 0.00 N ATOM 529 CA CYS A 34 -20.354 -19.186 -19.740 1.00 0.00 C ATOM 530 C CYS A 34 -20.967 -17.779 -19.966 1.00 0.00 C ATOM 531 O CYS A 34 -20.415 -16.914 -20.659 1.00 0.00 O ATOM 532 CB CYS A 34 -19.983 -19.461 -18.273 1.00 0.00 C ATOM 533 SG CYS A 34 -21.490 -19.745 -17.283 1.00 0.00 S ATOM 0 H CYS A 34 -18.317 -19.551 -20.081 1.00 0.00 H new ATOM 0 HA CYS A 34 -21.169 -19.846 -20.036 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -19.330 -20.332 -18.213 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.426 -18.617 -17.867 1.00 0.00 H new ATOM 0 HG CYS A 34 -21.359 -20.843 -16.599 1.00 0.00 H new ATOM 538 N LYS A 35 -22.135 -17.566 -19.348 1.00 0.00 N ATOM 539 CA LYS A 35 -22.963 -16.344 -19.371 1.00 0.00 C ATOM 540 C LYS A 35 -22.611 -15.335 -18.264 1.00 0.00 C ATOM 541 O LYS A 35 -23.125 -14.216 -18.276 1.00 0.00 O ATOM 542 CB LYS A 35 -24.448 -16.735 -19.276 1.00 0.00 C ATOM 543 CG LYS A 35 -24.912 -17.485 -20.533 1.00 0.00 C ATOM 544 CD LYS A 35 -26.417 -17.768 -20.490 1.00 0.00 C ATOM 545 CE LYS A 35 -26.834 -18.442 -21.800 1.00 0.00 C ATOM 546 NZ LYS A 35 -28.293 -18.724 -21.835 1.00 0.00 N ATOM 0 H LYS A 35 -22.562 -18.294 -18.775 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.755 -15.839 -20.315 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.605 -17.361 -18.398 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -25.054 -15.839 -19.141 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -24.676 -16.895 -21.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.366 -18.424 -20.621 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -26.655 -18.411 -19.643 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -26.971 -16.840 -20.351 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -26.567 -17.800 -22.640 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -26.281 -19.373 -21.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -28.537 -19.180 -22.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -28.543 -19.357 -21.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -28.821 -17.833 -21.744 1.00 0.00 H new ATOM 560 N PHE A 36 -21.728 -15.709 -17.337 1.00 0.00 N ATOM 561 CA PHE A 36 -21.236 -14.886 -16.225 1.00 0.00 C ATOM 562 C PHE A 36 -19.727 -15.121 -16.005 1.00 0.00 C ATOM 563 O PHE A 36 -19.129 -16.025 -16.598 1.00 0.00 O ATOM 564 CB PHE A 36 -22.037 -15.197 -14.952 1.00 0.00 C ATOM 565 CG PHE A 36 -23.527 -14.909 -14.990 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.457 -15.954 -14.822 1.00 0.00 C ATOM 567 CD2 PHE A 36 -23.986 -13.585 -15.130 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.836 -15.676 -14.794 1.00 0.00 C ATOM 569 CE2 PHE A 36 -25.364 -13.307 -15.101 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.290 -14.352 -14.931 1.00 0.00 C ATOM 0 H PHE A 36 -21.314 -16.641 -17.339 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.376 -13.833 -16.471 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -21.902 -16.252 -14.715 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.602 -14.628 -14.130 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -24.110 -16.971 -14.714 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -23.277 -12.781 -15.260 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -26.546 -16.480 -14.667 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -25.712 -12.290 -15.209 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.348 -14.138 -14.906 1.00 0.00 H new ATOM 580 N ALA A 37 -19.083 -14.297 -15.172 1.00 0.00 N ATOM 581 CA ALA A 37 -17.644 -14.364 -14.927 1.00 0.00 C ATOM 582 C ALA A 37 -17.241 -15.497 -13.953 1.00 0.00 C ATOM 583 O ALA A 37 -17.964 -15.816 -13.005 1.00 0.00 O ATOM 584 CB ALA A 37 -17.203 -12.985 -14.432 1.00 0.00 C ATOM 0 H ALA A 37 -19.552 -13.560 -14.646 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.129 -14.618 -15.854 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.131 -12.994 -14.237 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.427 -12.237 -15.192 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.737 -12.740 -13.514 1.00 0.00 H new ATOM 590 N HIS A 38 -16.064 -16.092 -14.183 1.00 0.00 N ATOM 591 CA HIS A 38 -15.493 -17.209 -13.413 1.00 0.00 C ATOM 592 C HIS A 38 -14.125 -16.803 -12.796 1.00 0.00 C ATOM 593 O HIS A 38 -13.090 -16.977 -13.449 1.00 0.00 O ATOM 594 CB HIS A 38 -15.347 -18.450 -14.328 1.00 0.00 C ATOM 595 CG HIS A 38 -16.592 -19.246 -14.680 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.592 -20.544 -15.150 1.00 0.00 N ATOM 597 CD2 HIS A 38 -17.907 -18.860 -14.619 1.00 0.00 C ATOM 598 CE1 HIS A 38 -17.868 -20.926 -15.347 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.713 -19.932 -15.035 1.00 0.00 N ATOM 0 H HIS A 38 -15.454 -15.796 -14.945 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.164 -17.460 -12.592 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.890 -18.121 -15.261 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.643 -19.131 -13.851 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.264 -17.891 -14.303 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.170 -21.899 -15.707 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -19.731 -19.951 -15.089 1.00 0.00 H new ATOM 607 N PRO A 39 -14.087 -16.229 -11.571 1.00 0.00 N ATOM 608 CA PRO A 39 -12.846 -15.783 -10.913 1.00 0.00 C ATOM 609 C PRO A 39 -11.880 -16.916 -10.510 1.00 0.00 C ATOM 610 O PRO A 39 -12.211 -18.101 -10.555 1.00 0.00 O ATOM 611 CB PRO A 39 -13.304 -15.007 -9.668 1.00 0.00 C ATOM 612 CG PRO A 39 -14.673 -15.590 -9.348 1.00 0.00 C ATOM 613 CD PRO A 39 -15.238 -15.933 -10.724 1.00 0.00 C ATOM 0 HA PRO A 39 -12.268 -15.184 -11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.610 -15.140 -8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.363 -13.937 -9.865 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.596 -16.473 -8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.303 -14.873 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.910 -16.789 -10.667 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.815 -15.101 -11.127 1.00 0.00 H new ATOM 621 N SER A 40 -10.690 -16.525 -10.041 1.00 0.00 N ATOM 622 CA SER A 40 -9.639 -17.404 -9.501 1.00 0.00 C ATOM 623 C SER A 40 -9.149 -16.909 -8.130 1.00 0.00 C ATOM 624 O SER A 40 -9.632 -15.900 -7.608 1.00 0.00 O ATOM 625 CB SER A 40 -8.460 -17.528 -10.480 1.00 0.00 C ATOM 626 OG SER A 40 -7.722 -16.319 -10.553 1.00 0.00 O ATOM 0 H SER A 40 -10.418 -15.542 -10.025 1.00 0.00 H new ATOM 0 HA SER A 40 -10.078 -18.393 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.804 -18.338 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.833 -17.790 -11.470 1.00 0.00 H new ATOM 0 HG SER A 40 -8.341 -15.561 -10.606 1.00 0.00 H new ATOM 632 N LYS A 41 -8.174 -17.616 -7.546 1.00 0.00 N ATOM 633 CA LYS A 41 -7.551 -17.335 -6.239 1.00 0.00 C ATOM 634 C LYS A 41 -7.077 -15.884 -6.037 1.00 0.00 C ATOM 635 O LYS A 41 -7.097 -15.400 -4.903 1.00 0.00 O ATOM 636 CB LYS A 41 -6.374 -18.308 -6.044 1.00 0.00 C ATOM 637 CG LYS A 41 -6.846 -19.751 -5.785 1.00 0.00 C ATOM 638 CD LYS A 41 -5.682 -20.748 -5.648 1.00 0.00 C ATOM 639 CE LYS A 41 -4.737 -20.483 -4.463 1.00 0.00 C ATOM 640 NZ LYS A 41 -5.401 -20.693 -3.148 1.00 0.00 N ATOM 0 H LYS A 41 -7.775 -18.442 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.328 -17.478 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.739 -18.289 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.763 -17.972 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.446 -19.774 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.494 -20.068 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.093 -21.752 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.099 -20.732 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.871 -21.141 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.366 -19.460 -4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.723 -20.502 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.212 -20.048 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.732 -21.676 -3.080 1.00 0.00 H new ATOM 654 N SER A 42 -6.649 -15.197 -7.100 1.00 0.00 N ATOM 655 CA SER A 42 -6.142 -13.811 -7.035 1.00 0.00 C ATOM 656 C SER A 42 -7.211 -12.733 -7.283 1.00 0.00 C ATOM 657 O SER A 42 -7.051 -11.603 -6.821 1.00 0.00 O ATOM 658 CB SER A 42 -5.016 -13.613 -8.061 1.00 0.00 C ATOM 659 OG SER A 42 -4.000 -14.596 -7.924 1.00 0.00 O ATOM 0 H SER A 42 -6.642 -15.586 -8.043 1.00 0.00 H new ATOM 0 HA SER A 42 -5.785 -13.684 -6.013 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.430 -13.656 -9.068 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.581 -12.621 -7.937 1.00 0.00 H new ATOM 0 HG SER A 42 -3.302 -14.440 -8.593 1.00 0.00 H new ATOM 665 N CYS A 43 -8.288 -13.049 -8.012 1.00 0.00 N ATOM 666 CA CYS A 43 -9.350 -12.108 -8.384 1.00 0.00 C ATOM 667 C CYS A 43 -10.135 -11.523 -7.194 1.00 0.00 C ATOM 668 O CYS A 43 -10.445 -12.216 -6.222 1.00 0.00 O ATOM 669 CB CYS A 43 -10.324 -12.799 -9.353 1.00 0.00 C ATOM 670 SG CYS A 43 -9.440 -13.465 -10.794 1.00 0.00 S ATOM 0 H CYS A 43 -8.449 -13.991 -8.369 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.851 -11.261 -8.855 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.846 -13.605 -8.837 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.081 -12.088 -9.683 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.286 -14.044 -11.593 1.00 0.00 H new ATOM 676 N GLN A 44 -10.503 -10.245 -7.309 1.00 0.00 N ATOM 677 CA GLN A 44 -11.314 -9.512 -6.329 1.00 0.00 C ATOM 678 C GLN A 44 -12.807 -9.744 -6.575 1.00 0.00 C ATOM 679 O GLN A 44 -13.274 -9.613 -7.709 1.00 0.00 O ATOM 680 CB GLN A 44 -10.990 -8.016 -6.444 1.00 0.00 C ATOM 681 CG GLN A 44 -9.621 -7.714 -5.826 1.00 0.00 C ATOM 682 CD GLN A 44 -9.078 -6.354 -6.259 1.00 0.00 C ATOM 683 OE1 GLN A 44 -8.865 -5.451 -5.461 1.00 0.00 O ATOM 684 NE2 GLN A 44 -8.811 -6.163 -7.533 1.00 0.00 N ATOM 0 H GLN A 44 -10.238 -9.673 -8.110 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.079 -9.871 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.997 -7.716 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.760 -7.431 -5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.701 -7.742 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.915 -8.493 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.984 -6.908 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.431 -5.270 -7.846 1.00 0.00 H new ATOM 693 N VAL A 45 -13.550 -10.058 -5.508 1.00 0.00 N ATOM 694 CA VAL A 45 -14.994 -10.350 -5.542 1.00 0.00 C ATOM 695 C VAL A 45 -15.741 -9.512 -4.496 1.00 0.00 C ATOM 696 O VAL A 45 -15.305 -9.427 -3.346 1.00 0.00 O ATOM 697 CB VAL A 45 -15.271 -11.849 -5.261 1.00 0.00 C ATOM 698 CG1 VAL A 45 -16.731 -12.221 -5.566 1.00 0.00 C ATOM 699 CG2 VAL A 45 -14.374 -12.838 -6.021 1.00 0.00 C ATOM 0 H VAL A 45 -13.156 -10.119 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.349 -10.099 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.044 -11.948 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.888 -13.279 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.396 -11.625 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.945 -12.023 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.649 -13.858 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.504 -12.696 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.332 -12.662 -5.755 1.00 0.00 H new ATOM 709 N GLU A 46 -16.877 -8.921 -4.873 1.00 0.00 N ATOM 710 CA GLU A 46 -17.742 -8.113 -3.996 1.00 0.00 C ATOM 711 C GLU A 46 -19.227 -8.275 -4.374 1.00 0.00 C ATOM 712 O GLU A 46 -19.591 -8.148 -5.541 1.00 0.00 O ATOM 713 CB GLU A 46 -17.377 -6.618 -4.091 1.00 0.00 C ATOM 714 CG GLU A 46 -16.002 -6.270 -3.508 1.00 0.00 C ATOM 715 CD GLU A 46 -15.803 -4.743 -3.442 1.00 0.00 C ATOM 716 OE1 GLU A 46 -16.161 -4.124 -2.410 1.00 0.00 O ATOM 717 OE2 GLU A 46 -15.279 -4.149 -4.417 1.00 0.00 O ATOM 0 H GLU A 46 -17.235 -8.991 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.584 -8.470 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.403 -6.315 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.138 -6.036 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.907 -6.697 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.219 -6.717 -4.121 1.00 0.00 H new ATOM 724 N ASN A 47 -20.090 -8.522 -3.380 1.00 0.00 N ATOM 725 CA ASN A 47 -21.555 -8.660 -3.494 1.00 0.00 C ATOM 726 C ASN A 47 -22.079 -9.473 -4.709 1.00 0.00 C ATOM 727 O ASN A 47 -23.092 -9.120 -5.321 1.00 0.00 O ATOM 728 CB ASN A 47 -22.166 -7.247 -3.408 1.00 0.00 C ATOM 729 CG ASN A 47 -23.656 -7.242 -3.080 1.00 0.00 C ATOM 730 OD1 ASN A 47 -24.173 -8.091 -2.365 1.00 0.00 O ATOM 731 ND2 ASN A 47 -24.394 -6.274 -3.576 1.00 0.00 N ATOM 0 H ASN A 47 -19.770 -8.638 -2.418 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.886 -9.283 -2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -21.634 -6.676 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -22.010 -6.735 -4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -25.391 -6.233 -3.365 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.970 -5.564 -4.172 1.00 0.00 H new ATOM 738 N GLY A 48 -21.386 -10.553 -5.090 1.00 0.00 N ATOM 739 CA GLY A 48 -21.777 -11.400 -6.227 1.00 0.00 C ATOM 740 C GLY A 48 -21.268 -10.924 -7.596 1.00 0.00 C ATOM 741 O GLY A 48 -21.774 -11.358 -8.634 1.00 0.00 O ATOM 0 H GLY A 48 -20.537 -10.866 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.409 -12.411 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.865 -11.458 -6.261 1.00 0.00 H new ATOM 745 N ARG A 49 -20.279 -10.024 -7.619 1.00 0.00 N ATOM 746 CA ARG A 49 -19.672 -9.450 -8.829 1.00 0.00 C ATOM 747 C ARG A 49 -18.145 -9.402 -8.719 1.00 0.00 C ATOM 748 O ARG A 49 -17.576 -9.495 -7.631 1.00 0.00 O ATOM 749 CB ARG A 49 -20.271 -8.061 -9.134 1.00 0.00 C ATOM 750 CG ARG A 49 -21.810 -8.057 -9.175 1.00 0.00 C ATOM 751 CD ARG A 49 -22.383 -6.755 -9.740 1.00 0.00 C ATOM 752 NE ARG A 49 -23.832 -6.893 -9.982 1.00 0.00 N ATOM 753 CZ ARG A 49 -24.742 -5.945 -10.078 1.00 0.00 C ATOM 754 NH1 ARG A 49 -25.962 -6.290 -10.355 1.00 0.00 N ATOM 755 NH2 ARG A 49 -24.472 -4.680 -9.913 1.00 0.00 N ATOM 0 H ARG A 49 -19.862 -9.660 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.908 -10.102 -9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.933 -7.353 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.888 -7.710 -10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.155 -8.894 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.197 -8.212 -8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -22.201 -5.937 -9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.875 -6.500 -10.670 1.00 0.00 H new ATOM 0 HE ARG A 49 -24.174 -7.848 -10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -26.195 -7.273 -10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -26.688 -5.578 -10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -23.519 -4.386 -9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -25.214 -3.985 -9.998 1.00 0.00 H new ATOM 769 N VAL A 50 -17.493 -9.276 -9.868 1.00 0.00 N ATOM 770 CA VAL A 50 -16.036 -9.265 -10.073 1.00 0.00 C ATOM 771 C VAL A 50 -15.673 -8.202 -11.110 1.00 0.00 C ATOM 772 O VAL A 50 -16.421 -7.979 -12.059 1.00 0.00 O ATOM 773 CB VAL A 50 -15.543 -10.640 -10.564 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.454 -11.640 -9.416 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.394 -11.279 -11.672 1.00 0.00 C ATOM 0 H VAL A 50 -17.997 -9.171 -10.748 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.556 -9.038 -9.121 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.561 -10.424 -10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -15.103 -12.600 -9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.756 -11.270 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.439 -11.766 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.966 -12.243 -11.949 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.412 -11.424 -11.311 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.408 -10.624 -12.543 1.00 0.00 H new ATOM 785 N ILE A 51 -14.535 -7.526 -10.949 1.00 0.00 N ATOM 786 CA ILE A 51 -14.128 -6.434 -11.852 1.00 0.00 C ATOM 787 C ILE A 51 -13.199 -6.957 -12.956 1.00 0.00 C ATOM 788 O ILE A 51 -12.189 -7.603 -12.674 1.00 0.00 O ATOM 789 CB ILE A 51 -13.505 -5.266 -11.051 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.444 -4.881 -9.885 1.00 0.00 C ATOM 791 CG2 ILE A 51 -13.249 -4.072 -11.990 1.00 0.00 C ATOM 792 CD1 ILE A 51 -14.136 -3.579 -9.141 1.00 0.00 C ATOM 0 H ILE A 51 -13.871 -7.713 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.014 -6.039 -12.349 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.548 -5.571 -10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.459 -4.815 -10.276 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.434 -5.695 -9.160 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.810 -3.251 -11.423 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.564 -4.373 -12.783 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.192 -3.746 -12.430 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.870 -3.430 -8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.139 -3.636 -8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.180 -2.742 -9.838 1.00 0.00 H new ATOM 804 N ALA A 52 -13.543 -6.683 -14.216 1.00 0.00 N ATOM 805 CA ALA A 52 -12.757 -7.069 -15.388 1.00 0.00 C ATOM 806 C ALA A 52 -11.453 -6.249 -15.507 1.00 0.00 C ATOM 807 O ALA A 52 -11.399 -5.079 -15.117 1.00 0.00 O ATOM 808 CB ALA A 52 -13.640 -6.957 -16.637 1.00 0.00 C ATOM 0 H ALA A 52 -14.395 -6.175 -14.454 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.436 -8.105 -15.280 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.064 -7.243 -17.517 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.500 -7.620 -16.536 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.985 -5.929 -16.747 1.00 0.00 H new ATOM 814 N CYS A 53 -10.402 -6.875 -16.041 1.00 0.00 N ATOM 815 CA CYS A 53 -9.072 -6.294 -16.201 1.00 0.00 C ATOM 816 C CYS A 53 -9.040 -5.197 -17.279 1.00 0.00 C ATOM 817 O CYS A 53 -8.980 -5.460 -18.489 1.00 0.00 O ATOM 818 CB CYS A 53 -8.052 -7.418 -16.447 1.00 0.00 C ATOM 819 SG CYS A 53 -6.346 -6.781 -16.336 1.00 0.00 S ATOM 0 H CYS A 53 -10.458 -7.834 -16.385 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.794 -5.784 -15.279 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.196 -8.213 -15.715 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -8.218 -7.857 -17.431 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.682 -7.470 -15.456 1.00 0.00 H new ATOM 824 N PHE A 54 -9.084 -3.943 -16.822 1.00 0.00 N ATOM 825 CA PHE A 54 -8.968 -2.770 -17.688 1.00 0.00 C ATOM 826 C PHE A 54 -7.605 -2.762 -18.395 1.00 0.00 C ATOM 827 O PHE A 54 -7.531 -2.437 -19.577 1.00 0.00 O ATOM 828 CB PHE A 54 -9.180 -1.474 -16.892 1.00 0.00 C ATOM 829 CG PHE A 54 -8.299 -1.301 -15.670 1.00 0.00 C ATOM 830 CD1 PHE A 54 -8.739 -1.747 -14.409 1.00 0.00 C ATOM 831 CD2 PHE A 54 -7.031 -0.703 -15.797 1.00 0.00 C ATOM 832 CE1 PHE A 54 -7.905 -1.613 -13.285 1.00 0.00 C ATOM 833 CE2 PHE A 54 -6.192 -0.581 -14.677 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.629 -1.035 -13.419 1.00 0.00 C ATOM 0 H PHE A 54 -9.202 -3.713 -15.835 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.750 -2.825 -18.446 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.014 -0.628 -17.559 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.222 -1.430 -16.575 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.717 -2.192 -14.305 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.702 -0.337 -16.758 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.244 -1.954 -12.318 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.212 -0.139 -14.781 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.986 -0.940 -12.557 1.00 0.00 H new ATOM 844 N ASP A 55 -6.534 -3.169 -17.707 1.00 0.00 N ATOM 845 CA ASP A 55 -5.200 -3.276 -18.301 1.00 0.00 C ATOM 846 C ASP A 55 -5.209 -4.283 -19.465 1.00 0.00 C ATOM 847 O ASP A 55 -4.662 -3.981 -20.525 1.00 0.00 O ATOM 848 CB ASP A 55 -4.146 -3.680 -17.261 1.00 0.00 C ATOM 849 CG ASP A 55 -3.826 -2.613 -16.209 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.529 -1.454 -16.589 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.782 -2.970 -15.006 1.00 0.00 O ATOM 0 H ASP A 55 -6.568 -3.433 -16.722 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.931 -2.291 -18.683 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.489 -4.580 -16.750 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.225 -3.941 -17.783 1.00 0.00 H new ATOM 856 N SER A 56 -5.841 -5.455 -19.325 1.00 0.00 N ATOM 857 CA SER A 56 -5.936 -6.441 -20.411 1.00 0.00 C ATOM 858 C SER A 56 -6.752 -5.897 -21.594 1.00 0.00 C ATOM 859 O SER A 56 -6.330 -6.020 -22.748 1.00 0.00 O ATOM 860 CB SER A 56 -6.513 -7.759 -19.885 1.00 0.00 C ATOM 861 OG SER A 56 -6.564 -8.732 -20.918 1.00 0.00 O ATOM 0 H SER A 56 -6.299 -5.746 -18.461 1.00 0.00 H new ATOM 0 HA SER A 56 -4.931 -6.637 -20.783 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.901 -8.127 -19.062 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.514 -7.591 -19.487 1.00 0.00 H new ATOM 0 HG SER A 56 -6.934 -9.567 -20.563 1.00 0.00 H new ATOM 867 N LEU A 57 -7.881 -5.225 -21.327 1.00 0.00 N ATOM 868 CA LEU A 57 -8.725 -4.587 -22.350 1.00 0.00 C ATOM 869 C LEU A 57 -7.995 -3.471 -23.125 1.00 0.00 C ATOM 870 O LEU A 57 -8.155 -3.367 -24.344 1.00 0.00 O ATOM 871 CB LEU A 57 -10.000 -4.037 -21.682 1.00 0.00 C ATOM 872 CG LEU A 57 -11.072 -5.107 -21.414 1.00 0.00 C ATOM 873 CD1 LEU A 57 -12.132 -4.555 -20.463 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.776 -5.538 -22.706 1.00 0.00 C ATOM 0 H LEU A 57 -8.240 -5.107 -20.380 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.983 -5.348 -23.087 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.729 -3.563 -20.738 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.426 -3.261 -22.318 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.566 -5.968 -20.977 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.888 -5.318 -20.278 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.663 -4.272 -19.520 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.602 -3.680 -20.911 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.526 -6.295 -22.477 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.259 -4.674 -23.162 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.043 -5.952 -23.399 1.00 0.00 H new ATOM 886 N LYS A 58 -7.191 -2.644 -22.442 1.00 0.00 N ATOM 887 CA LYS A 58 -6.411 -1.538 -23.036 1.00 0.00 C ATOM 888 C LYS A 58 -5.068 -1.981 -23.648 1.00 0.00 C ATOM 889 O LYS A 58 -4.422 -1.184 -24.329 1.00 0.00 O ATOM 890 CB LYS A 58 -6.192 -0.436 -21.978 1.00 0.00 C ATOM 891 CG LYS A 58 -7.483 0.248 -21.483 1.00 0.00 C ATOM 892 CD LYS A 58 -8.319 0.986 -22.543 1.00 0.00 C ATOM 893 CE LYS A 58 -7.521 2.086 -23.257 1.00 0.00 C ATOM 894 NZ LYS A 58 -8.360 2.822 -24.237 1.00 0.00 N ATOM 0 H LYS A 58 -7.059 -2.724 -21.434 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.997 -1.150 -23.869 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.676 -0.871 -21.122 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.532 0.324 -22.396 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.114 -0.510 -21.018 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.214 0.961 -20.704 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.682 0.269 -23.279 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.195 1.427 -22.068 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.124 2.784 -22.520 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.667 1.643 -23.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.789 3.557 -24.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.719 2.159 -24.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.161 3.266 -23.744 1.00 0.00 H new ATOM 908 N GLY A 59 -4.646 -3.229 -23.427 1.00 0.00 N ATOM 909 CA GLY A 59 -3.395 -3.796 -23.958 1.00 0.00 C ATOM 910 C GLY A 59 -2.143 -3.437 -23.143 1.00 0.00 C ATOM 911 O GLY A 59 -1.087 -3.166 -23.720 1.00 0.00 O ATOM 0 H GLY A 59 -5.175 -3.892 -22.861 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.490 -4.881 -23.998 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.259 -3.450 -24.983 1.00 0.00 H new ATOM 915 N ARG A 60 -2.266 -3.404 -21.808 1.00 0.00 N ATOM 916 CA ARG A 60 -1.221 -3.024 -20.838 1.00 0.00 C ATOM 917 C ARG A 60 -0.859 -4.121 -19.821 1.00 0.00 C ATOM 918 O ARG A 60 0.239 -4.070 -19.263 1.00 0.00 O ATOM 919 CB ARG A 60 -1.698 -1.736 -20.125 1.00 0.00 C ATOM 920 CG ARG A 60 -0.664 -1.035 -19.221 1.00 0.00 C ATOM 921 CD ARG A 60 0.675 -0.705 -19.901 1.00 0.00 C ATOM 922 NE ARG A 60 0.507 0.170 -21.080 1.00 0.00 N ATOM 923 CZ ARG A 60 1.435 0.487 -21.966 1.00 0.00 C ATOM 924 NH1 ARG A 60 1.150 1.266 -22.970 1.00 0.00 N ATOM 925 NH2 ARG A 60 2.659 0.048 -21.877 1.00 0.00 N ATOM 0 H ARG A 60 -3.142 -3.654 -21.349 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.295 -2.860 -21.388 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.027 -1.026 -20.884 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.571 -1.982 -19.520 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.101 -0.110 -18.844 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.469 -1.670 -18.357 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.334 -0.219 -19.182 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.163 -1.631 -20.206 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.420 0.570 -21.225 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.205 1.636 -23.076 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.871 1.506 -23.650 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.927 -0.562 -21.104 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.349 0.314 -22.580 1.00 0.00 H new ATOM 939 N CYS A 61 -1.742 -5.093 -19.565 1.00 0.00 N ATOM 940 CA CYS A 61 -1.506 -6.149 -18.570 1.00 0.00 C ATOM 941 C CYS A 61 -0.349 -7.101 -18.949 1.00 0.00 C ATOM 942 O CYS A 61 -0.125 -7.423 -20.122 1.00 0.00 O ATOM 943 CB CYS A 61 -2.817 -6.907 -18.296 1.00 0.00 C ATOM 944 SG CYS A 61 -2.761 -7.761 -16.684 1.00 0.00 S ATOM 0 H CYS A 61 -2.641 -5.171 -20.041 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.179 -5.666 -17.649 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.654 -6.209 -18.312 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.993 -7.633 -19.089 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.660 -8.700 -16.659 1.00 0.00 H new ATOM 1013 N CYS A 66 -2.876 -11.480 -11.457 1.00 0.00 N ATOM 1014 CA CYS A 66 -3.836 -10.424 -11.764 1.00 0.00 C ATOM 1015 C CYS A 66 -5.110 -10.521 -10.897 1.00 0.00 C ATOM 1016 O CYS A 66 -5.762 -11.569 -10.815 1.00 0.00 O ATOM 1017 CB CYS A 66 -4.113 -10.472 -13.274 1.00 0.00 C ATOM 1018 SG CYS A 66 -4.820 -8.903 -13.842 1.00 0.00 S ATOM 0 HA CYS A 66 -3.421 -9.448 -11.512 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.188 -10.677 -13.813 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.799 -11.289 -13.498 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.079 -8.411 -14.790 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.438 -9.417 -10.214 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.576 -9.313 -9.279 1.00 0.00 C ATOM 1025 C LYS A 67 -7.911 -8.987 -9.952 1.00 0.00 C ATOM 1026 O LYS A 67 -8.899 -8.708 -9.267 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.291 -8.288 -8.175 1.00 0.00 C ATOM 1028 CG LYS A 67 -4.872 -8.368 -7.599 1.00 0.00 C ATOM 1029 CD LYS A 67 -4.726 -7.594 -6.279 1.00 0.00 C ATOM 1030 CE LYS A 67 -5.095 -6.110 -6.420 1.00 0.00 C ATOM 1031 NZ LYS A 67 -4.926 -5.378 -5.137 1.00 0.00 N ATOM 0 H LYS A 67 -4.910 -8.548 -10.295 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.679 -10.308 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.454 -7.286 -8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.008 -8.431 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.609 -9.413 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.165 -7.972 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.362 -8.052 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.698 -7.677 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.470 -5.651 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.128 -6.022 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.184 -4.379 -5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.541 -5.801 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.935 -5.441 -4.829 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.928 -9.003 -11.277 1.00 0.00 N ATOM 1046 CA TYR A 68 -9.069 -8.666 -12.116 1.00 0.00 C ATOM 1047 C TYR A 68 -9.350 -9.766 -13.153 1.00 0.00 C ATOM 1048 O TYR A 68 -8.492 -10.590 -13.478 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.783 -7.312 -12.774 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.574 -6.166 -11.797 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -7.285 -5.887 -11.296 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.673 -5.395 -11.369 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -7.098 -4.851 -10.363 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -9.490 -4.350 -10.443 1.00 0.00 C ATOM 1055 CZ TYR A 68 -8.199 -4.078 -9.936 1.00 0.00 C ATOM 1056 OH TYR A 68 -8.016 -3.107 -9.002 1.00 0.00 O ATOM 0 H TYR A 68 -7.107 -9.264 -11.823 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.973 -8.593 -11.511 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.895 -7.407 -13.398 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.612 -7.062 -13.435 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.440 -6.470 -11.630 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.660 -5.606 -11.753 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.112 -4.647 -9.973 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.334 -3.758 -10.121 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.871 -2.666 -8.817 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.586 -9.810 -13.651 1.00 0.00 N ATOM 1067 CA LEU A 69 -11.054 -10.823 -14.598 1.00 0.00 C ATOM 1068 C LEU A 69 -10.607 -10.527 -16.034 1.00 0.00 C ATOM 1069 O LEU A 69 -11.092 -9.576 -16.647 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.595 -10.907 -14.531 1.00 0.00 C ATOM 1071 CG LEU A 69 -13.160 -11.936 -13.545 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -13.015 -13.362 -14.074 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.512 -11.853 -12.167 1.00 0.00 C ATOM 0 H LEU A 69 -11.304 -9.129 -13.403 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.610 -11.778 -14.315 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.983 -9.924 -14.265 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.972 -11.140 -15.527 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.217 -11.689 -13.443 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.427 -14.063 -13.348 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.555 -13.457 -15.016 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.960 -13.585 -14.236 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.952 -12.605 -11.512 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.441 -12.033 -12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.679 -10.862 -11.745 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.748 -11.372 -16.607 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.421 -11.276 -18.034 1.00 0.00 C ATOM 1087 C HIS A 70 -10.707 -11.685 -18.786 1.00 0.00 C ATOM 1088 O HIS A 70 -11.216 -12.789 -18.555 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.203 -12.146 -18.376 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.886 -11.489 -18.023 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.690 -11.661 -18.688 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.676 -10.514 -17.080 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.800 -10.788 -18.179 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.362 -10.060 -17.201 1.00 0.00 N ATOM 0 H HIS A 70 -9.269 -12.124 -16.112 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.127 -10.269 -18.329 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.282 -13.095 -17.846 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.214 -12.374 -19.442 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.511 -12.332 -19.435 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.404 -10.159 -16.366 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.777 -10.688 -18.511 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.299 -10.802 -19.612 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.623 -11.045 -20.180 1.00 0.00 C ATOM 1104 C PRO A 71 -12.665 -12.145 -21.260 1.00 0.00 C ATOM 1105 O PRO A 71 -11.885 -12.094 -22.217 1.00 0.00 O ATOM 1106 CB PRO A 71 -13.070 -9.682 -20.703 1.00 0.00 C ATOM 1107 CG PRO A 71 -11.768 -8.977 -21.063 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.819 -9.474 -19.975 1.00 0.00 C ATOM 0 HA PRO A 71 -13.300 -11.444 -19.425 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.722 -9.782 -21.571 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.627 -9.128 -19.947 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.421 -9.248 -22.060 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.874 -7.892 -21.046 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.792 -9.514 -20.339 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.826 -8.806 -19.114 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.576 -13.133 -21.143 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.724 -14.212 -22.120 1.00 0.00 C ATOM 1118 C PRO A 72 -14.503 -13.759 -23.372 1.00 0.00 C ATOM 1119 O PRO A 72 -15.327 -12.841 -23.279 1.00 0.00 O ATOM 1120 CB PRO A 72 -14.491 -15.301 -21.369 1.00 0.00 C ATOM 1121 CG PRO A 72 -15.388 -14.517 -20.418 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.531 -13.307 -20.053 1.00 0.00 C ATOM 0 HA PRO A 72 -12.757 -14.553 -22.491 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.074 -15.922 -22.049 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.817 -15.966 -20.828 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.321 -14.220 -20.897 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.653 -15.103 -19.538 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.148 -12.417 -19.932 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.015 -13.468 -19.107 1.00 0.00 H new ATOM 1130 N PRO A 73 -14.313 -14.405 -24.541 1.00 0.00 N ATOM 1131 CA PRO A 73 -15.005 -14.075 -25.796 1.00 0.00 C ATOM 1132 C PRO A 73 -16.525 -13.854 -25.690 1.00 0.00 C ATOM 1133 O PRO A 73 -17.058 -12.933 -26.310 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.676 -15.232 -26.748 1.00 0.00 C ATOM 1135 CG PRO A 73 -13.304 -15.696 -26.275 1.00 0.00 C ATOM 1136 CD PRO A 73 -13.382 -15.507 -24.762 1.00 0.00 C ATOM 0 HA PRO A 73 -14.654 -13.105 -26.147 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.415 -16.030 -26.682 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.653 -14.904 -27.787 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.115 -16.735 -26.543 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.503 -15.102 -26.715 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.731 -16.416 -24.273 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.401 -15.278 -24.346 1.00 0.00 H new ATOM 1144 N HIS A 74 -17.226 -14.664 -24.883 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.684 -14.563 -24.671 1.00 0.00 C ATOM 1146 C HIS A 74 -19.137 -13.347 -23.848 1.00 0.00 C ATOM 1147 O HIS A 74 -20.322 -13.010 -23.877 1.00 0.00 O ATOM 1148 CB HIS A 74 -19.203 -15.872 -24.038 1.00 0.00 C ATOM 1149 CG HIS A 74 -19.333 -17.019 -25.010 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -20.511 -17.660 -25.354 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -18.308 -17.686 -25.621 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -20.203 -18.714 -26.137 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -18.866 -18.744 -26.311 1.00 0.00 N ATOM 0 H HIS A 74 -16.794 -15.419 -24.351 1.00 0.00 H new ATOM 0 HA HIS A 74 -19.122 -14.409 -25.657 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -18.528 -16.166 -23.234 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -20.176 -15.683 -23.584 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -17.259 -17.433 -25.573 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -20.909 -19.416 -26.555 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -18.353 -19.433 -26.861 1.00 0.00 H new ATOM 1162 N LEU A 75 -18.228 -12.674 -23.132 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.528 -11.498 -22.299 1.00 0.00 C ATOM 1164 C LEU A 75 -17.848 -10.218 -22.798 1.00 0.00 C ATOM 1165 O LEU A 75 -18.322 -9.133 -22.469 1.00 0.00 O ATOM 1166 CB LEU A 75 -18.197 -11.798 -20.829 1.00 0.00 C ATOM 1167 CG LEU A 75 -19.023 -12.958 -20.231 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -18.524 -13.398 -18.854 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -20.499 -12.582 -20.105 1.00 0.00 C ATOM 0 H LEU A 75 -17.242 -12.935 -23.114 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.597 -11.301 -22.380 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.137 -12.038 -20.746 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.368 -10.899 -20.237 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.901 -13.787 -20.928 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.144 -14.216 -18.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.490 -13.734 -18.932 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.582 -12.559 -18.161 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.053 -13.420 -19.681 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.599 -11.714 -19.454 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.899 -12.344 -21.091 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.810 -10.304 -23.644 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.186 -9.123 -24.272 1.00 0.00 C ATOM 1183 C LYS A 76 -17.225 -8.270 -25.012 1.00 0.00 C ATOM 1184 O LYS A 76 -17.178 -7.044 -24.919 1.00 0.00 O ATOM 1185 CB LYS A 76 -15.042 -9.550 -25.206 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.791 -9.912 -24.391 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.650 -10.478 -25.247 1.00 0.00 C ATOM 1188 CE LYS A 76 -12.121 -9.460 -26.269 1.00 0.00 C ATOM 1189 NZ LYS A 76 -10.976 -10.007 -27.044 1.00 0.00 N ATOM 0 H LYS A 76 -16.379 -11.189 -23.913 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.763 -8.502 -23.482 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.353 -10.406 -25.805 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.810 -8.742 -25.900 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.437 -9.023 -23.868 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.061 -10.643 -23.629 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.834 -10.793 -24.597 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.000 -11.367 -25.772 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.923 -9.179 -26.952 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.810 -8.552 -25.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.645 -9.293 -27.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.202 -10.252 -26.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.280 -10.859 -27.557 1.00 0.00 H new ATOM 1203 N THR A 77 -18.199 -8.906 -25.675 1.00 0.00 N ATOM 1204 CA THR A 77 -19.312 -8.225 -26.365 1.00 0.00 C ATOM 1205 C THR A 77 -20.186 -7.433 -25.385 1.00 0.00 C ATOM 1206 O THR A 77 -20.554 -6.290 -25.654 1.00 0.00 O ATOM 1207 CB THR A 77 -20.194 -9.243 -27.108 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.390 -10.074 -27.920 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.219 -8.565 -28.017 1.00 0.00 C ATOM 0 H THR A 77 -18.241 -9.922 -25.751 1.00 0.00 H new ATOM 0 HA THR A 77 -18.867 -7.531 -27.078 1.00 0.00 H new ATOM 0 HB THR A 77 -20.719 -9.818 -26.345 1.00 0.00 H new ATOM 0 HG1 THR A 77 -19.957 -10.721 -28.389 1.00 0.00 H new ATOM 0 HG21 THR A 77 -21.818 -9.324 -28.520 1.00 0.00 H new ATOM 0 HG22 THR A 77 -21.870 -7.927 -27.419 1.00 0.00 H new ATOM 0 HG23 THR A 77 -20.701 -7.960 -28.761 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.492 -8.015 -24.220 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.287 -7.369 -23.171 1.00 0.00 C ATOM 1219 C GLN A 78 -20.525 -6.184 -22.561 1.00 0.00 C ATOM 1220 O GLN A 78 -21.091 -5.103 -22.383 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.655 -8.400 -22.085 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.504 -9.580 -22.594 1.00 0.00 C ATOM 1223 CD GLN A 78 -23.834 -9.164 -23.226 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -24.488 -8.209 -22.825 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -24.292 -9.861 -24.245 1.00 0.00 N ATOM 0 H GLN A 78 -20.191 -8.959 -23.977 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.205 -6.982 -23.614 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.737 -8.791 -21.645 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.199 -7.893 -21.288 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -21.925 -10.141 -23.328 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.704 -10.255 -21.762 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -23.763 -10.660 -24.595 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -25.175 -9.602 -24.684 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.235 -6.370 -22.269 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.363 -5.332 -21.715 1.00 0.00 C ATOM 1236 C LEU A 79 -18.206 -4.136 -22.662 1.00 0.00 C ATOM 1237 O LEU A 79 -18.350 -3.005 -22.213 1.00 0.00 O ATOM 1238 CB LEU A 79 -16.997 -5.938 -21.355 1.00 0.00 C ATOM 1239 CG LEU A 79 -17.058 -6.924 -20.176 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.717 -7.631 -20.044 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -17.364 -6.230 -18.847 1.00 0.00 C ATOM 0 H LEU A 79 -18.760 -7.261 -22.413 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.833 -4.948 -20.810 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.594 -6.451 -22.228 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.304 -5.133 -21.111 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.863 -7.628 -20.387 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.755 -8.331 -19.209 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.500 -8.174 -20.964 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.934 -6.895 -19.864 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.396 -6.971 -18.048 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.586 -5.497 -18.632 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.328 -5.726 -18.913 1.00 0.00 H new ATOM 1253 N GLU A 80 -17.951 -4.338 -23.959 1.00 0.00 N ATOM 1254 CA GLU A 80 -17.821 -3.202 -24.892 1.00 0.00 C ATOM 1255 C GLU A 80 -19.132 -2.407 -25.068 1.00 0.00 C ATOM 1256 O GLU A 80 -19.101 -1.192 -25.283 1.00 0.00 O ATOM 1257 CB GLU A 80 -17.208 -3.623 -26.237 1.00 0.00 C ATOM 1258 CG GLU A 80 -18.096 -4.482 -27.147 1.00 0.00 C ATOM 1259 CD GLU A 80 -17.510 -4.551 -28.566 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -17.658 -3.544 -29.303 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -16.915 -5.586 -28.950 1.00 0.00 O ATOM 0 H GLU A 80 -17.832 -5.257 -24.385 1.00 0.00 H new ATOM 0 HA GLU A 80 -17.118 -2.512 -24.426 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -16.928 -2.722 -26.783 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -16.289 -4.173 -26.037 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -18.184 -5.487 -26.735 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -19.102 -4.063 -27.183 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.291 -3.063 -24.946 1.00 0.00 N ATOM 1269 CA ILE A 81 -21.609 -2.405 -25.001 1.00 0.00 C ATOM 1270 C ILE A 81 -21.830 -1.584 -23.717 1.00 0.00 C ATOM 1271 O ILE A 81 -22.242 -0.425 -23.787 1.00 0.00 O ATOM 1272 CB ILE A 81 -22.718 -3.453 -25.270 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -22.612 -3.905 -26.747 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -24.125 -2.897 -24.979 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -23.516 -5.088 -27.113 1.00 0.00 C ATOM 0 H ILE A 81 -20.346 -4.072 -24.805 1.00 0.00 H new ATOM 0 HA ILE A 81 -21.650 -1.702 -25.833 1.00 0.00 H new ATOM 0 HB ILE A 81 -22.572 -4.299 -24.599 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -22.859 -3.061 -27.391 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -21.577 -4.175 -26.958 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -24.870 -3.667 -25.182 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.189 -2.597 -23.933 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.314 -2.033 -25.616 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -23.379 -5.339 -28.165 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -23.255 -5.949 -26.498 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -24.557 -4.818 -26.937 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.489 -2.140 -22.547 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.549 -1.417 -21.269 1.00 0.00 C ATOM 1289 C ASN A 82 -20.545 -0.247 -21.240 1.00 0.00 C ATOM 1290 O ASN A 82 -20.834 0.800 -20.658 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.324 -2.400 -20.105 1.00 0.00 C ATOM 1292 CG ASN A 82 -22.600 -3.134 -19.726 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -23.360 -2.700 -18.872 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -22.893 -4.251 -20.350 1.00 0.00 N ATOM 0 H ASN A 82 -21.164 -3.103 -22.459 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.540 -0.978 -21.157 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -20.559 -3.124 -20.384 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.947 -1.856 -19.239 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -23.751 -4.753 -20.122 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -22.262 -4.617 -21.063 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.386 -0.396 -21.890 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.360 0.641 -22.004 1.00 0.00 C ATOM 1303 C GLY A 83 -18.881 1.860 -22.763 1.00 0.00 C ATOM 1304 O GLY A 83 -18.785 2.979 -22.262 1.00 0.00 O ATOM 0 H GLY A 83 -19.131 -1.263 -22.362 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.033 0.943 -21.009 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.487 0.237 -22.517 1.00 0.00 H new