USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 832 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 91 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 145:sc= 0.731 USER MOD Set 2.1: A 44 HIS :FLIP no HD1:sc= -0.187 F(o=-3.1,f=-1.4) USER MOD Set 2.2: A 57 ASN : amide:sc= -1.17 K(o=-1.4,f=-8.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0.0133 F(o=-0.67,f=0.013) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 53 CYS SG : rot -150:sc= -1.54 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 56 MET CE :methyl 141:sc= -4.92! (180deg=-7.35!) USER MOD Single : A 60 MET CE :methyl -174:sc= -1.06 (180deg=-1.23) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.966 K(o=-0.97,f=-5.9!) USER MOD Single : A 71 SER OG : rot -130:sc= -0.888 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 84:sc= 0.102 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot -58:sc= 1.57 USER MOD Single : A 90 SER OG : rot -60:sc= 0.129 USER MOD Single : A 99 LYS NZ :NH3+ 155:sc= 0.0918 (180deg=-1.02!) USER MOD Single : A 100 ASN : amide:sc= -0.0275 K(o=-0.028,f=-1.6) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.6!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.06) USER MOD Single : A 116 THR OG1 : rot 180:sc= -3.99! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -141:sc= 0.258 (180deg=-0.266) USER MOD Single : A 120 GLN : amide:sc=-0.00214 K(o=-0.0021,f=-0.66) USER MOD Single : A 122 HIS : no HE2:sc= -4.31! C(o=-4.3!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.539 2.316 -9.193 1.00 0.00 N ATOM 202 CA VAL A 20 -2.804 2.382 -8.470 1.00 0.00 C ATOM 203 C VAL A 20 -3.970 2.618 -9.422 1.00 0.00 C ATOM 204 O VAL A 20 -3.996 3.608 -10.152 1.00 0.00 O ATOM 205 CB VAL A 20 -2.787 3.498 -7.409 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.088 3.507 -6.622 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.593 3.333 -6.480 1.00 0.00 C ATOM 0 HA VAL A 20 -2.934 1.421 -7.973 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.692 4.457 -7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.057 4.302 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.923 3.678 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.218 2.547 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.597 4.130 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.654 2.368 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.671 3.382 -7.060 1.00 0.00 H new ATOM 217 N GLU A 21 -4.933 1.702 -9.409 1.00 0.00 N ATOM 218 CA GLU A 21 -6.103 1.811 -10.273 1.00 0.00 C ATOM 219 C GLU A 21 -7.079 2.855 -9.737 1.00 0.00 C ATOM 220 O GLU A 21 -7.219 3.024 -8.527 1.00 0.00 O ATOM 221 CB GLU A 21 -6.803 0.457 -10.394 1.00 0.00 C ATOM 222 CG GLU A 21 -6.102 -0.509 -11.335 1.00 0.00 C ATOM 223 CD GLU A 21 -6.372 -0.200 -12.795 1.00 0.00 C ATOM 224 OE1 GLU A 21 -6.331 0.991 -13.167 1.00 0.00 O ATOM 225 OE2 GLU A 21 -6.624 -1.150 -13.566 1.00 0.00 O ATOM 0 H GLU A 21 -4.926 0.876 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.766 2.127 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.871 0.003 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.823 0.615 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.028 -0.473 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.429 -1.525 -11.116 1.00 0.00 H new ATOM 232 N GLU A 22 -7.751 3.551 -10.649 1.00 0.00 N ATOM 233 CA GLU A 22 -8.712 4.579 -10.268 1.00 0.00 C ATOM 234 C GLU A 22 -10.141 4.052 -10.369 1.00 0.00 C ATOM 235 O GLU A 22 -10.575 3.601 -11.429 1.00 0.00 O ATOM 236 CB GLU A 22 -8.550 5.815 -11.156 1.00 0.00 C ATOM 237 CG GLU A 22 -8.579 5.504 -12.643 1.00 0.00 C ATOM 238 CD GLU A 22 -7.257 4.962 -13.151 1.00 0.00 C ATOM 239 OE1 GLU A 22 -6.305 5.758 -13.292 1.00 0.00 O ATOM 240 OE2 GLU A 22 -7.174 3.743 -13.409 1.00 0.00 O ATOM 0 H GLU A 22 -7.648 3.422 -11.655 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.517 4.856 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.345 6.524 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.607 6.305 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.366 4.777 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.833 6.409 -13.195 1.00 0.00 H new ATOM 247 N VAL A 23 -10.866 4.111 -9.257 1.00 0.00 N ATOM 248 CA VAL A 23 -12.246 3.640 -9.218 1.00 0.00 C ATOM 249 C VAL A 23 -13.213 4.737 -9.646 1.00 0.00 C ATOM 250 O VAL A 23 -13.313 5.779 -8.999 1.00 0.00 O ATOM 251 CB VAL A 23 -12.633 3.150 -7.810 1.00 0.00 C ATOM 252 CG1 VAL A 23 -14.022 2.531 -7.823 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.603 2.159 -7.289 1.00 0.00 C ATOM 0 H VAL A 23 -10.521 4.480 -8.371 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.315 2.806 -9.916 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.650 4.008 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.278 2.191 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.749 3.275 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.036 1.683 -8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.892 1.823 -6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.551 1.302 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.627 2.641 -7.240 1.00 0.00 H new ATOM 263 N GLY A 24 -13.926 4.496 -10.743 1.00 0.00 N ATOM 264 CA GLY A 24 -14.877 5.474 -11.239 1.00 0.00 C ATOM 265 C GLY A 24 -16.216 5.390 -10.533 1.00 0.00 C ATOM 266 O GLY A 24 -16.901 6.399 -10.367 1.00 0.00 O ATOM 0 H GLY A 24 -13.862 3.642 -11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.464 6.475 -11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.024 5.324 -12.309 1.00 0.00 H new ATOM 270 N SER A 25 -16.590 4.184 -10.118 1.00 0.00 N ATOM 271 CA SER A 25 -17.858 3.972 -9.431 1.00 0.00 C ATOM 272 C SER A 25 -17.827 2.679 -8.620 1.00 0.00 C ATOM 273 O SER A 25 -16.902 1.878 -8.745 1.00 0.00 O ATOM 274 CB SER A 25 -19.008 3.927 -10.439 1.00 0.00 C ATOM 275 OG SER A 25 -18.942 2.758 -11.237 1.00 0.00 O ATOM 0 H SER A 25 -16.033 3.339 -10.246 1.00 0.00 H new ATOM 0 HA SER A 25 -18.016 4.806 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.961 3.957 -9.910 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.971 4.810 -11.078 1.00 0.00 H new ATOM 0 HG SER A 25 -19.689 2.753 -11.872 1.00 0.00 H new ATOM 281 N ALA A 26 -18.846 2.485 -7.789 1.00 0.00 N ATOM 282 CA ALA A 26 -18.938 1.290 -6.960 1.00 0.00 C ATOM 283 C ALA A 26 -18.838 0.025 -7.806 1.00 0.00 C ATOM 284 O ALA A 26 -18.032 -0.860 -7.524 1.00 0.00 O ATOM 285 CB ALA A 26 -20.237 1.296 -6.167 1.00 0.00 C ATOM 0 H ALA A 26 -19.619 3.140 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.100 1.296 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.292 0.398 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.268 2.177 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.083 1.318 -6.854 1.00 0.00 H new ATOM 291 N GLY A 27 -19.665 -0.053 -8.845 1.00 0.00 N ATOM 292 CA GLY A 27 -19.654 -1.214 -9.715 1.00 0.00 C ATOM 293 C GLY A 27 -18.261 -1.778 -9.912 1.00 0.00 C ATOM 294 O GLY A 27 -18.024 -2.961 -9.670 1.00 0.00 O ATOM 0 H GLY A 27 -20.342 0.667 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.299 -1.986 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.073 -0.942 -10.684 1.00 0.00 H new ATOM 298 N GLN A 28 -17.338 -0.930 -10.354 1.00 0.00 N ATOM 299 CA GLN A 28 -15.962 -1.353 -10.586 1.00 0.00 C ATOM 300 C GLN A 28 -15.362 -1.969 -9.326 1.00 0.00 C ATOM 301 O GLN A 28 -14.928 -3.121 -9.332 1.00 0.00 O ATOM 302 CB GLN A 28 -15.111 -0.166 -11.042 1.00 0.00 C ATOM 303 CG GLN A 28 -13.941 -0.560 -11.928 1.00 0.00 C ATOM 304 CD GLN A 28 -13.566 0.525 -12.918 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.201 1.694 -12.404 1.00 0.00 O flip ATOM 306 NE2 GLN A 28 -13.606 0.316 -14.131 1.00 0.00 N flip ATOM 0 H GLN A 28 -17.518 0.053 -10.558 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.969 -2.109 -11.371 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.744 0.538 -11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.731 0.356 -10.164 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.078 -0.790 -11.303 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.192 -1.471 -12.471 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.892 -0.598 -14.482 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.353 1.057 -14.785 1.00 0.00 H new ATOM 315 N PHE A 29 -15.341 -1.194 -8.247 1.00 0.00 N ATOM 316 CA PHE A 29 -14.793 -1.663 -6.979 1.00 0.00 C ATOM 317 C PHE A 29 -15.326 -3.051 -6.637 1.00 0.00 C ATOM 318 O PHE A 29 -14.564 -4.011 -6.533 1.00 0.00 O ATOM 319 CB PHE A 29 -15.135 -0.681 -5.857 1.00 0.00 C ATOM 320 CG PHE A 29 -14.955 -1.257 -4.481 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.690 -1.548 -3.998 1.00 0.00 C ATOM 322 CD2 PHE A 29 -16.052 -1.507 -3.672 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.521 -2.077 -2.732 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.888 -2.036 -2.405 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.622 -2.323 -1.936 1.00 0.00 C ATOM 0 H PHE A 29 -15.697 -0.238 -8.225 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.709 -1.724 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.508 0.205 -5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.168 -0.354 -5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.826 -1.359 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.045 -1.286 -4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.529 -2.298 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.750 -2.225 -1.783 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.493 -2.739 -0.948 1.00 0.00 H new ATOM 335 N GLU A 30 -16.640 -3.147 -6.461 1.00 0.00 N ATOM 336 CA GLU A 30 -17.275 -4.417 -6.129 1.00 0.00 C ATOM 337 C GLU A 30 -16.766 -5.533 -7.036 1.00 0.00 C ATOM 338 O GLU A 30 -16.556 -6.661 -6.589 1.00 0.00 O ATOM 339 CB GLU A 30 -18.796 -4.299 -6.251 1.00 0.00 C ATOM 340 CG GLU A 30 -19.414 -3.333 -5.255 1.00 0.00 C ATOM 341 CD GLU A 30 -20.922 -3.468 -5.169 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.400 -4.574 -4.839 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.624 -2.470 -5.432 1.00 0.00 O ATOM 0 H GLU A 30 -17.285 -2.361 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.018 -4.664 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.047 -3.976 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.241 -5.284 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.981 -3.506 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.160 -2.312 -5.540 1.00 0.00 H new ATOM 350 N GLU A 31 -16.571 -5.210 -8.310 1.00 0.00 N ATOM 351 CA GLU A 31 -16.087 -6.187 -9.280 1.00 0.00 C ATOM 352 C GLU A 31 -14.656 -6.608 -8.960 1.00 0.00 C ATOM 353 O GLU A 31 -14.316 -7.790 -9.024 1.00 0.00 O ATOM 354 CB GLU A 31 -16.157 -5.610 -10.695 1.00 0.00 C ATOM 355 CG GLU A 31 -15.597 -6.539 -11.759 1.00 0.00 C ATOM 356 CD GLU A 31 -16.565 -7.644 -12.137 1.00 0.00 C ATOM 357 OE1 GLU A 31 -17.786 -7.448 -11.965 1.00 0.00 O ATOM 358 OE2 GLU A 31 -16.100 -8.704 -12.606 1.00 0.00 O ATOM 0 H GLU A 31 -16.740 -4.281 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.727 -7.067 -9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.196 -5.381 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.609 -4.668 -10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.348 -5.959 -12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.669 -6.982 -11.397 1.00 0.00 H new ATOM 365 N LEU A 32 -13.822 -5.633 -8.616 1.00 0.00 N ATOM 366 CA LEU A 32 -12.426 -5.902 -8.286 1.00 0.00 C ATOM 367 C LEU A 32 -12.318 -6.733 -7.012 1.00 0.00 C ATOM 368 O LEU A 32 -11.441 -7.590 -6.890 1.00 0.00 O ATOM 369 CB LEU A 32 -11.660 -4.588 -8.119 1.00 0.00 C ATOM 370 CG LEU A 32 -10.171 -4.631 -8.467 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.963 -4.388 -9.954 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.402 -3.607 -7.645 1.00 0.00 C ATOM 0 H LEU A 32 -14.087 -4.650 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.987 -6.470 -9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.137 -3.831 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.762 -4.260 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.789 -5.623 -8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.898 -4.422 -10.183 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.482 -5.158 -10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.360 -3.409 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.344 -3.651 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.786 -2.609 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.524 -3.826 -6.584 1.00 0.00 H new ATOM 384 N LEU A 33 -13.215 -6.477 -6.067 1.00 0.00 N ATOM 385 CA LEU A 33 -13.222 -7.204 -4.802 1.00 0.00 C ATOM 386 C LEU A 33 -13.173 -8.710 -5.038 1.00 0.00 C ATOM 387 O LEU A 33 -12.512 -9.443 -4.303 1.00 0.00 O ATOM 388 CB LEU A 33 -14.468 -6.843 -3.991 1.00 0.00 C ATOM 389 CG LEU A 33 -14.335 -5.641 -3.055 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.676 -5.309 -2.420 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.289 -5.912 -1.984 1.00 0.00 C ATOM 0 H LEU A 33 -13.947 -5.772 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.334 -6.915 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.285 -6.649 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.754 -7.711 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.011 -4.782 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.562 -4.451 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.399 -5.071 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.029 -6.166 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.208 -5.046 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.584 -6.784 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.325 -6.101 -2.456 1.00 0.00 H new ATOM 403 N ARG A 34 -13.876 -9.164 -6.071 1.00 0.00 N ATOM 404 CA ARG A 34 -13.913 -10.583 -6.405 1.00 0.00 C ATOM 405 C ARG A 34 -12.601 -11.023 -7.049 1.00 0.00 C ATOM 406 O ARG A 34 -11.900 -11.890 -6.525 1.00 0.00 O ATOM 407 CB ARG A 34 -15.080 -10.876 -7.349 1.00 0.00 C ATOM 408 CG ARG A 34 -16.427 -10.422 -6.811 1.00 0.00 C ATOM 409 CD ARG A 34 -17.576 -11.009 -7.616 1.00 0.00 C ATOM 410 NE ARG A 34 -17.477 -10.673 -9.034 1.00 0.00 N ATOM 411 CZ ARG A 34 -18.519 -10.654 -9.859 1.00 0.00 C ATOM 412 NH1 ARG A 34 -19.730 -10.949 -9.409 1.00 0.00 N ATOM 413 NH2 ARG A 34 -18.349 -10.338 -11.136 1.00 0.00 N ATOM 0 H ARG A 34 -14.427 -8.570 -6.691 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.052 -11.145 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.896 -10.385 -8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.119 -11.948 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.523 -10.721 -5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.482 -9.334 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.584 -12.093 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.522 -10.639 -7.221 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.558 -10.440 -9.412 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.864 -11.191 -8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.528 -10.934 -10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.418 -10.109 -11.485 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.149 -10.324 -11.769 1.00 0.00 H new ATOM 427 N LEU A 35 -12.276 -10.421 -8.188 1.00 0.00 N ATOM 428 CA LEU A 35 -11.049 -10.751 -8.904 1.00 0.00 C ATOM 429 C LEU A 35 -9.845 -10.716 -7.968 1.00 0.00 C ATOM 430 O LEU A 35 -9.116 -11.700 -7.838 1.00 0.00 O ATOM 431 CB LEU A 35 -10.835 -9.778 -10.065 1.00 0.00 C ATOM 432 CG LEU A 35 -11.568 -10.112 -11.364 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.107 -11.456 -11.907 1.00 0.00 C ATOM 434 CD2 LEU A 35 -13.073 -10.113 -11.143 1.00 0.00 C ATOM 0 H LEU A 35 -12.845 -9.702 -8.635 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.149 -11.762 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.145 -8.784 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.767 -9.726 -10.277 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.330 -9.344 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.640 -11.677 -12.832 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.036 -11.420 -12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.315 -12.235 -11.174 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.578 -10.353 -12.079 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.330 -10.859 -10.391 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.391 -9.128 -10.801 1.00 0.00 H new ATOM 446 N LYS A 36 -9.644 -9.577 -7.314 1.00 0.00 N ATOM 447 CA LYS A 36 -8.531 -9.413 -6.386 1.00 0.00 C ATOM 448 C LYS A 36 -8.911 -9.897 -4.990 1.00 0.00 C ATOM 449 O LYS A 36 -8.568 -9.267 -3.990 1.00 0.00 O ATOM 450 CB LYS A 36 -8.100 -7.946 -6.329 1.00 0.00 C ATOM 451 CG LYS A 36 -7.770 -7.355 -7.689 1.00 0.00 C ATOM 452 CD LYS A 36 -6.478 -7.928 -8.247 1.00 0.00 C ATOM 453 CE LYS A 36 -6.363 -7.688 -9.745 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.252 -8.474 -10.349 1.00 0.00 N ATOM 0 H LYS A 36 -10.238 -8.753 -7.410 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.698 -10.016 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.897 -7.360 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.227 -7.857 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.587 -7.555 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.682 -6.272 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.628 -7.474 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.436 -8.998 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.302 -7.956 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.200 -6.626 -9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.207 -8.283 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.352 -8.200 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.420 -9.489 -10.194 1.00 0.00 H new ATOM 468 N ALA A 37 -9.620 -11.019 -4.931 1.00 0.00 N ATOM 469 CA ALA A 37 -10.044 -11.588 -3.658 1.00 0.00 C ATOM 470 C ALA A 37 -8.882 -12.282 -2.954 1.00 0.00 C ATOM 471 O ALA A 37 -8.649 -12.072 -1.763 1.00 0.00 O ATOM 472 CB ALA A 37 -11.192 -12.563 -3.871 1.00 0.00 C ATOM 0 H ALA A 37 -9.913 -11.552 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.388 -10.773 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.498 -12.980 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.034 -12.040 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.868 -13.369 -4.530 1.00 0.00 H new ATOM 478 N LYS A 38 -8.157 -13.111 -3.696 1.00 0.00 N ATOM 479 CA LYS A 38 -7.019 -13.837 -3.144 1.00 0.00 C ATOM 480 C LYS A 38 -5.928 -12.872 -2.689 1.00 0.00 C ATOM 481 O LYS A 38 -5.326 -13.056 -1.631 1.00 0.00 O ATOM 482 CB LYS A 38 -6.454 -14.808 -4.183 1.00 0.00 C ATOM 483 CG LYS A 38 -7.310 -16.046 -4.387 1.00 0.00 C ATOM 484 CD LYS A 38 -7.056 -16.683 -5.743 1.00 0.00 C ATOM 485 CE LYS A 38 -7.857 -17.965 -5.915 1.00 0.00 C ATOM 486 NZ LYS A 38 -8.143 -18.251 -7.348 1.00 0.00 N ATOM 0 H LYS A 38 -8.337 -13.297 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.365 -14.402 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.350 -14.288 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.454 -15.114 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.099 -16.769 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.363 -15.779 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.320 -15.979 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.993 -16.899 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.305 -18.799 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.795 -17.884 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.690 -19.132 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.691 -17.467 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.248 -18.354 -7.867 1.00 0.00 H new ATOM 500 N SER A 39 -5.680 -11.844 -3.494 1.00 0.00 N ATOM 501 CA SER A 39 -4.660 -10.852 -3.174 1.00 0.00 C ATOM 502 C SER A 39 -5.200 -9.813 -2.197 1.00 0.00 C ATOM 503 O SER A 39 -6.411 -9.613 -2.091 1.00 0.00 O ATOM 504 CB SER A 39 -4.171 -10.163 -4.450 1.00 0.00 C ATOM 505 OG SER A 39 -3.752 -11.114 -5.414 1.00 0.00 O ATOM 0 H SER A 39 -6.171 -11.676 -4.372 1.00 0.00 H new ATOM 0 HA SER A 39 -3.823 -11.367 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.970 -9.548 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.345 -9.493 -4.212 1.00 0.00 H new ATOM 0 HG SER A 39 -3.446 -10.649 -6.221 1.00 0.00 H new ATOM 511 N LEU A 40 -4.294 -9.153 -1.484 1.00 0.00 N ATOM 512 CA LEU A 40 -4.678 -8.134 -0.514 1.00 0.00 C ATOM 513 C LEU A 40 -5.021 -6.821 -1.211 1.00 0.00 C ATOM 514 O LEU A 40 -4.177 -6.218 -1.874 1.00 0.00 O ATOM 515 CB LEU A 40 -3.549 -7.909 0.494 1.00 0.00 C ATOM 516 CG LEU A 40 -3.675 -6.668 1.378 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.735 -6.880 2.447 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.335 -6.327 2.013 1.00 0.00 C ATOM 0 H LEU A 40 -3.288 -9.305 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.564 -8.486 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.485 -8.785 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.608 -7.847 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.982 -5.830 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.811 -5.986 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.697 -7.075 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.459 -7.731 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.444 -5.441 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.999 -7.164 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.601 -6.131 1.231 1.00 0.00 H new ATOM 530 N LEU A 41 -6.266 -6.383 -1.055 1.00 0.00 N ATOM 531 CA LEU A 41 -6.721 -5.139 -1.667 1.00 0.00 C ATOM 532 C LEU A 41 -6.674 -3.990 -0.666 1.00 0.00 C ATOM 533 O LEU A 41 -7.059 -4.146 0.493 1.00 0.00 O ATOM 534 CB LEU A 41 -8.144 -5.304 -2.205 1.00 0.00 C ATOM 535 CG LEU A 41 -8.594 -4.271 -3.238 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.233 -4.728 -4.643 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.091 -4.021 -3.125 1.00 0.00 C ATOM 0 H LEU A 41 -6.978 -6.870 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.051 -4.903 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.230 -6.295 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.835 -5.272 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.073 -3.335 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.561 -3.980 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.153 -4.855 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.726 -5.677 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.394 -3.283 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.630 -4.953 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.323 -3.648 -2.127 1.00 0.00 H new ATOM 549 N VAL A 42 -6.201 -2.834 -1.121 1.00 0.00 N ATOM 550 CA VAL A 42 -6.107 -1.657 -0.266 1.00 0.00 C ATOM 551 C VAL A 42 -6.878 -0.483 -0.860 1.00 0.00 C ATOM 552 O VAL A 42 -6.416 0.167 -1.798 1.00 0.00 O ATOM 553 CB VAL A 42 -4.641 -1.236 -0.050 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.566 0.015 0.812 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.848 -2.373 0.576 1.00 0.00 C ATOM 0 H VAL A 42 -5.877 -2.688 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.545 -1.928 0.694 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.200 -1.006 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.523 0.297 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.098 0.829 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.023 -0.183 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.815 -2.059 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.287 -2.636 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.874 -3.241 -0.083 1.00 0.00 H new ATOM 565 N VAL A 43 -8.057 -0.217 -0.307 1.00 0.00 N ATOM 566 CA VAL A 43 -8.894 0.880 -0.780 1.00 0.00 C ATOM 567 C VAL A 43 -8.571 2.174 -0.043 1.00 0.00 C ATOM 568 O VAL A 43 -9.043 2.401 1.072 1.00 0.00 O ATOM 569 CB VAL A 43 -10.390 0.560 -0.605 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.235 1.797 -0.872 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.801 -0.584 -1.518 1.00 0.00 C ATOM 0 H VAL A 43 -8.454 -0.746 0.469 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.680 1.007 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.559 0.249 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.289 1.552 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.958 2.585 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.064 2.141 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.861 -0.796 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.618 -0.305 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.219 -1.472 -1.273 1.00 0.00 H new ATOM 581 N HIS A 44 -7.764 3.022 -0.673 1.00 0.00 N ATOM 582 CA HIS A 44 -7.379 4.297 -0.076 1.00 0.00 C ATOM 583 C HIS A 44 -8.353 5.401 -0.479 1.00 0.00 C ATOM 584 O HIS A 44 -8.863 5.415 -1.599 1.00 0.00 O ATOM 585 CB HIS A 44 -5.959 4.674 -0.500 1.00 0.00 C ATOM 586 CG HIS A 44 -5.605 6.098 -0.205 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.553 6.774 0.967 1.00 0.00 N flip ATOM 588 CD2 HIS A 44 -5.250 7.004 -1.183 1.00 0.00 C flip ATOM 589 CE1 HIS A 44 -5.171 8.061 0.679 1.00 0.00 C flip ATOM 590 NE2 HIS A 44 -4.994 8.173 -0.625 1.00 0.00 N flip ATOM 0 H HIS A 44 -7.364 2.850 -1.596 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.409 4.187 1.008 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.251 4.019 0.008 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.848 4.495 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.191 6.790 -2.240 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.037 8.853 1.401 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.708 9.019 -1.118 1.00 0.00 H new ATOM 599 N PHE A 45 -8.606 6.324 0.443 1.00 0.00 N ATOM 600 CA PHE A 45 -9.519 7.431 0.185 1.00 0.00 C ATOM 601 C PHE A 45 -8.753 8.739 0.006 1.00 0.00 C ATOM 602 O PHE A 45 -8.172 9.264 0.956 1.00 0.00 O ATOM 603 CB PHE A 45 -10.524 7.569 1.331 1.00 0.00 C ATOM 604 CG PHE A 45 -11.748 6.714 1.160 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.732 5.378 1.526 1.00 0.00 C ATOM 606 CD2 PHE A 45 -12.913 7.248 0.635 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.856 4.589 1.371 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.041 6.464 0.478 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.012 5.133 0.845 1.00 0.00 C ATOM 0 H PHE A 45 -8.192 6.327 1.375 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.057 7.217 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.034 7.305 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.828 8.613 1.414 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.831 4.948 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.941 8.288 0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.831 3.549 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -14.944 6.892 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.891 4.518 0.721 1.00 0.00 H new ATOM 619 N TRP A 46 -8.756 9.257 -1.216 1.00 0.00 N ATOM 620 CA TRP A 46 -8.061 10.502 -1.520 1.00 0.00 C ATOM 621 C TRP A 46 -9.053 11.625 -1.802 1.00 0.00 C ATOM 622 O TRP A 46 -10.149 11.385 -2.308 1.00 0.00 O ATOM 623 CB TRP A 46 -7.133 10.312 -2.722 1.00 0.00 C ATOM 624 CG TRP A 46 -7.856 10.298 -4.034 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.399 9.212 -4.659 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.113 11.422 -4.883 1.00 0.00 C ATOM 627 NE1 TRP A 46 -8.978 9.593 -5.846 1.00 0.00 N ATOM 628 CE2 TRP A 46 -8.817 10.944 -6.006 1.00 0.00 C ATOM 629 CE3 TRP A 46 -7.818 12.786 -4.804 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.228 11.782 -7.039 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.226 13.616 -5.830 1.00 0.00 C ATOM 632 CH2 TRP A 46 -8.926 13.113 -6.935 1.00 0.00 C ATOM 0 H TRP A 46 -9.232 8.834 -2.013 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.466 10.778 -0.650 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.394 11.113 -2.731 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.587 9.376 -2.606 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.377 8.202 -4.277 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.451 8.971 -6.501 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.281 13.184 -3.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -9.766 11.396 -7.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.002 14.671 -5.780 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.233 13.789 -7.720 1.00 0.00 H new ATOM 643 N ALA A 47 -8.662 12.851 -1.470 1.00 0.00 N ATOM 644 CA ALA A 47 -9.517 14.011 -1.690 1.00 0.00 C ATOM 645 C ALA A 47 -8.718 15.184 -2.248 1.00 0.00 C ATOM 646 O ALA A 47 -7.559 15.400 -1.896 1.00 0.00 O ATOM 647 CB ALA A 47 -10.208 14.410 -0.394 1.00 0.00 C ATOM 0 H ALA A 47 -7.759 13.067 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.275 13.739 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.843 15.278 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.818 13.581 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.458 14.658 0.357 1.00 0.00 H new ATOM 653 N PRO A 48 -9.351 15.960 -3.141 1.00 0.00 N ATOM 654 CA PRO A 48 -8.718 17.124 -3.767 1.00 0.00 C ATOM 655 C PRO A 48 -8.501 18.267 -2.781 1.00 0.00 C ATOM 656 O PRO A 48 -7.656 19.135 -2.999 1.00 0.00 O ATOM 657 CB PRO A 48 -9.721 17.534 -4.849 1.00 0.00 C ATOM 658 CG PRO A 48 -11.033 17.027 -4.360 1.00 0.00 C ATOM 659 CD PRO A 48 -10.734 15.761 -3.607 1.00 0.00 C ATOM 0 HA PRO A 48 -7.726 16.890 -4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.739 18.616 -4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.463 17.098 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.518 17.759 -3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.712 16.835 -5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.422 15.617 -2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.820 14.883 -4.247 1.00 0.00 H new ATOM 667 N TRP A 49 -9.268 18.259 -1.697 1.00 0.00 N ATOM 668 CA TRP A 49 -9.158 19.296 -0.677 1.00 0.00 C ATOM 669 C TRP A 49 -8.163 18.892 0.406 1.00 0.00 C ATOM 670 O TRP A 49 -7.186 19.596 0.657 1.00 0.00 O ATOM 671 CB TRP A 49 -10.526 19.572 -0.051 1.00 0.00 C ATOM 672 CG TRP A 49 -11.291 18.325 0.279 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.075 17.596 -0.569 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.344 17.664 1.548 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.613 16.521 0.097 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.180 16.539 1.396 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.767 17.910 2.796 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.450 15.667 2.447 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.037 17.044 3.838 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.872 15.933 3.658 1.00 0.00 C ATOM 0 H TRP A 49 -9.972 17.547 -1.502 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.795 20.205 -1.157 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.390 20.158 0.858 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.115 20.180 -0.737 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.247 17.830 -1.609 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.235 15.822 -0.311 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.121 18.763 2.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.093 14.810 2.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.597 17.226 4.807 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.063 15.274 4.492 1.00 0.00 H new ATOM 691 N ALA A 50 -8.418 17.754 1.043 1.00 0.00 N ATOM 692 CA ALA A 50 -7.543 17.255 2.096 1.00 0.00 C ATOM 693 C ALA A 50 -6.135 17.005 1.568 1.00 0.00 C ATOM 694 O ALA A 50 -5.912 16.157 0.703 1.00 0.00 O ATOM 695 CB ALA A 50 -8.116 15.982 2.700 1.00 0.00 C ATOM 0 H ALA A 50 -9.224 17.160 0.848 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.481 18.017 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.452 15.621 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.099 16.190 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.209 15.221 1.925 1.00 0.00 H new ATOM 701 N PRO A 51 -5.160 17.759 2.097 1.00 0.00 N ATOM 702 CA PRO A 51 -3.756 17.637 1.693 1.00 0.00 C ATOM 703 C PRO A 51 -3.131 16.327 2.160 1.00 0.00 C ATOM 704 O PRO A 51 -2.450 15.647 1.393 1.00 0.00 O ATOM 705 CB PRO A 51 -3.084 18.826 2.383 1.00 0.00 C ATOM 706 CG PRO A 51 -3.950 19.122 3.558 1.00 0.00 C ATOM 707 CD PRO A 51 -5.353 18.789 3.132 1.00 0.00 C ATOM 0 HA PRO A 51 -3.642 17.636 0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.068 18.582 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.016 19.685 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.653 18.527 4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.869 20.169 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.948 18.415 3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.871 19.663 2.737 1.00 0.00 H new ATOM 715 N GLN A 52 -3.366 15.980 3.421 1.00 0.00 N ATOM 716 CA GLN A 52 -2.825 14.751 3.989 1.00 0.00 C ATOM 717 C GLN A 52 -2.870 13.615 2.972 1.00 0.00 C ATOM 718 O GLN A 52 -1.883 12.907 2.774 1.00 0.00 O ATOM 719 CB GLN A 52 -3.604 14.358 5.245 1.00 0.00 C ATOM 720 CG GLN A 52 -3.030 14.944 6.525 1.00 0.00 C ATOM 721 CD GLN A 52 -3.423 16.394 6.730 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.601 16.713 6.895 1.00 0.00 O ATOM 723 NE2 GLN A 52 -2.435 17.282 6.721 1.00 0.00 N ATOM 0 H GLN A 52 -3.927 16.533 4.069 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.784 14.933 4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.638 14.684 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.619 13.271 5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.373 14.355 7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.943 14.866 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.473 16.973 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.638 18.273 6.854 1.00 0.00 H new ATOM 732 N CYS A 53 -4.022 13.448 2.331 1.00 0.00 N ATOM 733 CA CYS A 53 -4.196 12.397 1.334 1.00 0.00 C ATOM 734 C CYS A 53 -3.010 12.353 0.377 1.00 0.00 C ATOM 735 O CYS A 53 -2.426 11.295 0.144 1.00 0.00 O ATOM 736 CB CYS A 53 -5.491 12.618 0.551 1.00 0.00 C ATOM 737 SG CYS A 53 -6.970 12.729 1.586 1.00 0.00 S ATOM 0 H CYS A 53 -4.848 14.026 2.484 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.254 11.442 1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.399 13.535 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.618 11.801 -0.159 1.00 0.00 H new ATOM 0 HG CYS A 53 -7.998 12.290 0.922 1.00 0.00 H new ATOM 743 N ALA A 54 -2.660 13.509 -0.177 1.00 0.00 N ATOM 744 CA ALA A 54 -1.543 13.603 -1.109 1.00 0.00 C ATOM 745 C ALA A 54 -0.396 12.693 -0.684 1.00 0.00 C ATOM 746 O ALA A 54 -0.070 11.727 -1.375 1.00 0.00 O ATOM 747 CB ALA A 54 -1.065 15.043 -1.217 1.00 0.00 C ATOM 0 H ALA A 54 -3.134 14.394 0.004 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.890 13.273 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.231 15.098 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.881 15.671 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.741 15.393 -0.237 1.00 0.00 H new ATOM 753 N GLN A 55 0.213 13.008 0.454 1.00 0.00 N ATOM 754 CA GLN A 55 1.325 12.219 0.969 1.00 0.00 C ATOM 755 C GLN A 55 1.077 10.728 0.762 1.00 0.00 C ATOM 756 O GLN A 55 1.912 10.023 0.197 1.00 0.00 O ATOM 757 CB GLN A 55 1.540 12.510 2.455 1.00 0.00 C ATOM 758 CG GLN A 55 1.772 13.982 2.759 1.00 0.00 C ATOM 759 CD GLN A 55 3.244 14.339 2.825 1.00 0.00 C ATOM 760 OE1 GLN A 55 3.953 14.136 1.721 1.00 0.00 O flip ATOM 761 NE2 GLN A 55 3.739 14.792 3.858 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.045 13.804 1.037 1.00 0.00 H new ATOM 0 HA GLN A 55 2.222 12.500 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.670 12.165 3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.396 11.935 2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.289 14.588 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.298 14.232 3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.157 14.932 4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.731 15.027 3.888 1.00 0.00 H new ATOM 770 N MET A 56 -0.076 10.256 1.223 1.00 0.00 N ATOM 771 CA MET A 56 -0.435 8.849 1.088 1.00 0.00 C ATOM 772 C MET A 56 -0.308 8.393 -0.363 1.00 0.00 C ATOM 773 O MET A 56 0.362 7.404 -0.656 1.00 0.00 O ATOM 774 CB MET A 56 -1.862 8.613 1.586 1.00 0.00 C ATOM 775 CG MET A 56 -2.105 9.126 2.996 1.00 0.00 C ATOM 776 SD MET A 56 -1.266 8.137 4.249 1.00 0.00 S ATOM 777 CE MET A 56 0.424 8.695 4.045 1.00 0.00 C ATOM 0 H MET A 56 -0.778 10.827 1.693 1.00 0.00 H new ATOM 0 HA MET A 56 0.255 8.264 1.697 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.561 9.099 0.906 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.077 7.545 1.554 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.765 10.159 3.066 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.176 9.129 3.198 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.899 8.781 5.022 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.973 7.977 3.436 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.429 9.667 3.552 1.00 0.00 H new ATOM 787 N ASN A 57 -0.958 9.121 -1.266 1.00 0.00 N ATOM 788 CA ASN A 57 -0.918 8.791 -2.686 1.00 0.00 C ATOM 789 C ASN A 57 0.479 8.341 -3.101 1.00 0.00 C ATOM 790 O ASN A 57 0.649 7.272 -3.685 1.00 0.00 O ATOM 791 CB ASN A 57 -1.348 9.997 -3.523 1.00 0.00 C ATOM 792 CG ASN A 57 -2.720 10.512 -3.133 1.00 0.00 C ATOM 793 OD1 ASN A 57 -3.139 10.387 -1.983 1.00 0.00 O ATOM 794 ND2 ASN A 57 -3.428 11.095 -4.094 1.00 0.00 N ATOM 0 H ASN A 57 -1.518 9.943 -1.039 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.612 7.969 -2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.616 10.796 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.353 9.721 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.359 11.461 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.041 11.177 -5.034 1.00 0.00 H new ATOM 801 N GLU A 58 1.476 9.166 -2.794 1.00 0.00 N ATOM 802 CA GLU A 58 2.858 8.853 -3.136 1.00 0.00 C ATOM 803 C GLU A 58 3.319 7.581 -2.430 1.00 0.00 C ATOM 804 O GLU A 58 4.006 6.745 -3.017 1.00 0.00 O ATOM 805 CB GLU A 58 3.776 10.018 -2.762 1.00 0.00 C ATOM 806 CG GLU A 58 3.820 11.119 -3.809 1.00 0.00 C ATOM 807 CD GLU A 58 5.035 12.014 -3.664 1.00 0.00 C ATOM 808 OE1 GLU A 58 6.136 11.590 -4.075 1.00 0.00 O ATOM 809 OE2 GLU A 58 4.886 13.137 -3.141 1.00 0.00 O ATOM 0 H GLU A 58 1.352 10.055 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 58 2.910 8.690 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.443 10.442 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.785 9.638 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.820 10.671 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.917 11.724 -3.733 1.00 0.00 H new ATOM 816 N VAL A 59 2.936 7.443 -1.164 1.00 0.00 N ATOM 817 CA VAL A 59 3.308 6.274 -0.376 1.00 0.00 C ATOM 818 C VAL A 59 2.862 4.986 -1.059 1.00 0.00 C ATOM 819 O VAL A 59 3.661 4.074 -1.271 1.00 0.00 O ATOM 820 CB VAL A 59 2.698 6.331 1.037 1.00 0.00 C ATOM 821 CG1 VAL A 59 2.965 5.036 1.787 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.246 7.525 1.805 1.00 0.00 C ATOM 0 H VAL A 59 2.368 8.126 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 59 4.395 6.281 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 59 1.619 6.452 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.526 5.095 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.520 4.202 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.040 4.880 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.805 7.550 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.329 7.437 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.997 8.444 1.274 1.00 0.00 H new ATOM 832 N MET A 60 1.579 4.918 -1.402 1.00 0.00 N ATOM 833 CA MET A 60 1.026 3.742 -2.062 1.00 0.00 C ATOM 834 C MET A 60 1.711 3.500 -3.404 1.00 0.00 C ATOM 835 O MET A 60 2.117 2.379 -3.710 1.00 0.00 O ATOM 836 CB MET A 60 -0.481 3.908 -2.268 1.00 0.00 C ATOM 837 CG MET A 60 -1.268 3.974 -0.969 1.00 0.00 C ATOM 838 SD MET A 60 -2.923 3.274 -1.124 1.00 0.00 S ATOM 839 CE MET A 60 -3.414 3.917 -2.722 1.00 0.00 C ATOM 0 H MET A 60 0.904 5.664 -1.233 1.00 0.00 H new ATOM 0 HA MET A 60 1.205 2.878 -1.422 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.663 4.818 -2.840 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.852 3.075 -2.866 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.723 3.440 -0.191 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.346 5.013 -0.648 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.456 3.660 -2.913 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.300 5.001 -2.729 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.785 3.482 -3.498 1.00 0.00 H new ATOM 849 N ALA A 61 1.835 4.557 -4.199 1.00 0.00 N ATOM 850 CA ALA A 61 2.472 4.459 -5.507 1.00 0.00 C ATOM 851 C ALA A 61 3.726 3.594 -5.443 1.00 0.00 C ATOM 852 O ALA A 61 3.881 2.651 -6.218 1.00 0.00 O ATOM 853 CB ALA A 61 2.810 5.845 -6.035 1.00 0.00 C ATOM 0 H ALA A 61 1.503 5.491 -3.961 1.00 0.00 H new ATOM 0 HA ALA A 61 1.769 3.984 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.285 5.756 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.896 6.432 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.491 6.341 -5.344 1.00 0.00 H new ATOM 859 N GLU A 62 4.619 3.924 -4.514 1.00 0.00 N ATOM 860 CA GLU A 62 5.861 3.177 -4.351 1.00 0.00 C ATOM 861 C GLU A 62 5.584 1.763 -3.848 1.00 0.00 C ATOM 862 O GLU A 62 5.985 0.780 -4.473 1.00 0.00 O ATOM 863 CB GLU A 62 6.795 3.903 -3.380 1.00 0.00 C ATOM 864 CG GLU A 62 7.390 5.180 -3.947 1.00 0.00 C ATOM 865 CD GLU A 62 8.387 5.827 -3.006 1.00 0.00 C ATOM 866 OE1 GLU A 62 7.995 6.169 -1.871 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.559 5.992 -3.404 1.00 0.00 O ATOM 0 H GLU A 62 4.506 4.702 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 62 6.344 3.108 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.245 4.142 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.604 3.230 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.881 4.958 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.588 5.886 -4.162 1.00 0.00 H new ATOM 874 N LEU A 63 4.898 1.669 -2.715 1.00 0.00 N ATOM 875 CA LEU A 63 4.567 0.376 -2.126 1.00 0.00 C ATOM 876 C LEU A 63 4.105 -0.607 -3.196 1.00 0.00 C ATOM 877 O LEU A 63 4.603 -1.730 -3.277 1.00 0.00 O ATOM 878 CB LEU A 63 3.478 0.541 -1.064 1.00 0.00 C ATOM 879 CG LEU A 63 3.941 1.063 0.297 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.746 1.410 1.170 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.828 0.037 0.988 1.00 0.00 C ATOM 0 H LEU A 63 4.560 2.472 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 63 5.466 -0.023 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.720 1.221 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.994 -0.424 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 63 4.524 1.970 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.095 1.780 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.149 2.180 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.136 0.520 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.148 0.425 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.269 -0.887 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.703 -0.163 0.370 1.00 0.00 H new ATOM 893 N ALA A 64 3.152 -0.177 -4.015 1.00 0.00 N ATOM 894 CA ALA A 64 2.626 -1.018 -5.083 1.00 0.00 C ATOM 895 C ALA A 64 3.754 -1.632 -5.905 1.00 0.00 C ATOM 896 O ALA A 64 3.713 -2.813 -6.250 1.00 0.00 O ATOM 897 CB ALA A 64 1.695 -0.214 -5.979 1.00 0.00 C ATOM 0 H ALA A 64 2.728 0.749 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 64 2.061 -1.830 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.310 -0.855 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.864 0.171 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.243 0.619 -6.420 1.00 0.00 H new ATOM 903 N LYS A 65 4.761 -0.823 -6.216 1.00 0.00 N ATOM 904 CA LYS A 65 5.902 -1.286 -6.997 1.00 0.00 C ATOM 905 C LYS A 65 6.706 -2.325 -6.222 1.00 0.00 C ATOM 906 O LYS A 65 7.179 -3.308 -6.792 1.00 0.00 O ATOM 907 CB LYS A 65 6.801 -0.107 -7.373 1.00 0.00 C ATOM 908 CG LYS A 65 6.053 1.049 -8.013 1.00 0.00 C ATOM 909 CD LYS A 65 6.943 1.833 -8.963 1.00 0.00 C ATOM 910 CE LYS A 65 6.160 2.904 -9.705 1.00 0.00 C ATOM 911 NZ LYS A 65 5.569 2.385 -10.970 1.00 0.00 N ATOM 0 H LYS A 65 4.810 0.157 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 65 5.523 -1.750 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.309 0.251 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.573 -0.454 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.188 0.668 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.675 1.713 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.755 2.297 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.400 1.152 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.366 3.284 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.817 3.744 -9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.043 3.146 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.328 2.046 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.922 1.600 -10.754 1.00 0.00 H new ATOM 925 N GLU A 66 6.855 -2.101 -4.920 1.00 0.00 N ATOM 926 CA GLU A 66 7.602 -3.020 -4.068 1.00 0.00 C ATOM 927 C GLU A 66 6.866 -4.349 -3.926 1.00 0.00 C ATOM 928 O GLU A 66 7.473 -5.419 -3.998 1.00 0.00 O ATOM 929 CB GLU A 66 7.829 -2.400 -2.688 1.00 0.00 C ATOM 930 CG GLU A 66 8.392 -3.375 -1.668 1.00 0.00 C ATOM 931 CD GLU A 66 9.547 -4.191 -2.216 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.238 -3.698 -3.132 1.00 0.00 O ATOM 933 OE2 GLU A 66 9.759 -5.321 -1.730 1.00 0.00 O ATOM 0 H GLU A 66 6.469 -1.292 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 66 8.568 -3.207 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.511 -1.556 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.884 -2.004 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.727 -2.823 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.600 -4.048 -1.339 1.00 0.00 H new ATOM 940 N LEU A 67 5.555 -4.274 -3.722 1.00 0.00 N ATOM 941 CA LEU A 67 4.735 -5.471 -3.568 1.00 0.00 C ATOM 942 C LEU A 67 3.712 -5.578 -4.694 1.00 0.00 C ATOM 943 O LEU A 67 2.619 -5.015 -4.629 1.00 0.00 O ATOM 944 CB LEU A 67 4.022 -5.454 -2.215 1.00 0.00 C ATOM 945 CG LEU A 67 4.890 -5.115 -1.003 1.00 0.00 C ATOM 946 CD1 LEU A 67 4.046 -4.498 0.102 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.609 -6.357 -0.498 1.00 0.00 C ATOM 0 H LEU A 67 5.037 -3.397 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 67 5.391 -6.340 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.206 -4.733 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.572 -6.433 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 67 5.640 -4.385 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.681 -4.263 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.578 -3.584 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.273 -5.204 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.222 -6.097 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.876 -7.110 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.245 -6.756 -1.288 1.00 0.00 H new ATOM 959 N PRO A 68 4.072 -6.319 -5.753 1.00 0.00 N ATOM 960 CA PRO A 68 3.198 -6.520 -6.912 1.00 0.00 C ATOM 961 C PRO A 68 1.993 -7.396 -6.585 1.00 0.00 C ATOM 962 O PRO A 68 0.936 -7.266 -7.201 1.00 0.00 O ATOM 963 CB PRO A 68 4.108 -7.220 -7.925 1.00 0.00 C ATOM 964 CG PRO A 68 5.143 -7.900 -7.098 1.00 0.00 C ATOM 965 CD PRO A 68 5.360 -7.019 -5.898 1.00 0.00 C ATOM 0 HA PRO A 68 2.777 -5.581 -7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.551 -7.936 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.558 -6.505 -8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.811 -8.894 -6.797 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.068 -8.029 -7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.603 -7.602 -5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.182 -6.320 -6.055 1.00 0.00 H new ATOM 973 N GLN A 69 2.161 -8.286 -5.613 1.00 0.00 N ATOM 974 CA GLN A 69 1.085 -9.182 -5.205 1.00 0.00 C ATOM 975 C GLN A 69 -0.068 -8.402 -4.584 1.00 0.00 C ATOM 976 O GLN A 69 -1.221 -8.830 -4.638 1.00 0.00 O ATOM 977 CB GLN A 69 1.608 -10.220 -4.210 1.00 0.00 C ATOM 978 CG GLN A 69 2.129 -9.615 -2.917 1.00 0.00 C ATOM 979 CD GLN A 69 3.606 -9.280 -2.983 1.00 0.00 C ATOM 980 OE1 GLN A 69 4.238 -9.409 -4.032 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.165 -8.845 -1.859 1.00 0.00 N ATOM 0 H GLN A 69 3.031 -8.406 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 69 0.716 -9.693 -6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.808 -10.922 -3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.407 -10.792 -4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.565 -8.710 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.955 -10.313 -2.098 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.603 -8.753 -1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.156 -8.603 -1.843 1.00 0.00 H new ATOM 990 N VAL A 70 0.250 -7.254 -3.994 1.00 0.00 N ATOM 991 CA VAL A 70 -0.760 -6.412 -3.363 1.00 0.00 C ATOM 992 C VAL A 70 -1.536 -5.612 -4.403 1.00 0.00 C ATOM 993 O VAL A 70 -1.008 -5.276 -5.463 1.00 0.00 O ATOM 994 CB VAL A 70 -0.128 -5.440 -2.350 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.182 -4.505 -1.777 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.574 -6.209 -1.241 1.00 0.00 C ATOM 0 H VAL A 70 1.200 -6.886 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.444 -7.078 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 70 0.616 -4.835 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.716 -3.826 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.635 -3.929 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.951 -5.090 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.015 -5.506 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.148 -6.840 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.358 -6.832 -1.671 1.00 0.00 H new ATOM 1006 N SER A 71 -2.792 -5.309 -4.092 1.00 0.00 N ATOM 1007 CA SER A 71 -3.643 -4.550 -5.001 1.00 0.00 C ATOM 1008 C SER A 71 -4.039 -3.211 -4.385 1.00 0.00 C ATOM 1009 O SER A 71 -4.862 -3.154 -3.471 1.00 0.00 O ATOM 1010 CB SER A 71 -4.897 -5.354 -5.350 1.00 0.00 C ATOM 1011 OG SER A 71 -5.268 -6.210 -4.284 1.00 0.00 O ATOM 0 H SER A 71 -3.243 -5.577 -3.217 1.00 0.00 H new ATOM 0 HA SER A 71 -3.077 -4.358 -5.913 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.718 -4.673 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.716 -5.944 -6.248 1.00 0.00 H new ATOM 0 HG SER A 71 -5.412 -7.116 -4.627 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.446 -2.136 -4.892 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.734 -0.796 -4.392 1.00 0.00 C ATOM 1019 C PHE A 72 -4.790 -0.110 -5.253 1.00 0.00 C ATOM 1020 O PHE A 72 -4.669 -0.053 -6.477 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.457 0.046 -4.363 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.394 -0.508 -3.458 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.618 -1.584 -3.858 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.170 0.048 -2.209 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.360 -2.096 -3.027 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.193 -0.460 -1.374 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.574 -1.533 -1.784 1.00 0.00 C ATOM 0 H PHE A 72 -2.763 -2.166 -5.649 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.122 -0.889 -3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.058 0.122 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.705 1.057 -4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.779 -2.027 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.766 0.888 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.957 -2.936 -3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.029 -0.019 -0.402 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.339 -1.931 -1.134 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.828 0.409 -4.605 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.906 1.093 -5.310 1.00 0.00 C ATOM 1039 C VAL A 73 -7.347 2.344 -4.560 1.00 0.00 C ATOM 1040 O VAL A 73 -7.756 2.276 -3.401 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.123 0.169 -5.505 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.773 -0.988 -6.428 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.624 -0.342 -4.162 1.00 0.00 C ATOM 0 H VAL A 73 -5.945 0.369 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.515 1.378 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.923 0.744 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.645 -1.630 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.466 -0.599 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.957 -1.566 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.484 -0.993 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.830 -0.901 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.917 0.502 -3.538 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.261 3.489 -5.229 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.653 4.758 -4.628 1.00 0.00 C ATOM 1055 C LYS A 74 -9.025 5.197 -5.128 1.00 0.00 C ATOM 1056 O LYS A 74 -9.292 5.186 -6.331 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.614 5.837 -4.943 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.475 6.132 -6.426 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.158 6.825 -6.735 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.293 8.338 -6.656 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.047 9.029 -7.091 1.00 0.00 N ATOM 0 H LYS A 74 -6.923 3.564 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.708 4.618 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.886 6.755 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.646 5.523 -4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.539 5.202 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.303 6.761 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.395 6.489 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.821 6.540 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.125 8.662 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.531 8.629 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.179 10.058 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.258 8.740 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.833 8.772 -8.076 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.892 5.585 -4.200 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.238 6.030 -4.547 1.00 0.00 C ATOM 1077 C LEU A 75 -11.516 7.417 -3.978 1.00 0.00 C ATOM 1078 O LEU A 75 -11.126 7.727 -2.854 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.276 5.035 -4.025 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.722 5.529 -3.990 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.688 4.366 -4.151 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -13.998 6.280 -2.696 1.00 0.00 C ATOM 0 H LEU A 75 -9.688 5.601 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.308 6.082 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.234 4.139 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.990 4.739 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.871 6.215 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.712 4.737 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.507 3.872 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.538 3.654 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.032 6.624 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.830 5.617 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.329 7.138 -2.624 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.196 8.247 -4.764 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.527 9.602 -4.337 1.00 0.00 C ATOM 1096 C GLU A 76 -13.825 9.617 -3.535 1.00 0.00 C ATOM 1097 O GLU A 76 -14.907 9.404 -4.080 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.654 10.526 -5.550 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.759 11.997 -5.186 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.069 12.874 -6.384 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -14.222 12.840 -6.863 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -12.158 13.595 -6.842 1.00 0.00 O ATOM 0 H GLU A 76 -12.528 8.005 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.720 9.962 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.790 10.382 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.535 10.239 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.538 12.127 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.822 12.323 -4.734 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.707 9.870 -2.235 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.870 9.914 -1.357 1.00 0.00 C ATOM 1111 C ALA A 77 -16.022 10.670 -2.010 1.00 0.00 C ATOM 1112 O ALA A 77 -17.179 10.264 -1.907 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.503 10.555 -0.027 1.00 0.00 C ATOM 0 H ALA A 77 -12.818 10.047 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.197 8.890 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.381 10.581 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.717 9.972 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.148 11.571 -0.199 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.698 11.770 -2.682 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.708 12.582 -3.350 1.00 0.00 C ATOM 1121 C GLU A 78 -17.038 12.015 -4.728 1.00 0.00 C ATOM 1122 O GLU A 78 -18.146 12.189 -5.233 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.224 14.028 -3.484 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.249 14.801 -2.176 1.00 0.00 C ATOM 1125 CD GLU A 78 -17.657 15.065 -1.681 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.421 15.746 -2.397 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -17.996 14.590 -0.576 1.00 0.00 O ATOM 0 H GLU A 78 -14.744 12.119 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.613 12.564 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.207 14.027 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.847 14.545 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.700 14.242 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.731 15.751 -2.310 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.066 11.336 -5.330 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.272 10.754 -6.643 1.00 0.00 C ATOM 1136 C GLY A 79 -17.212 9.565 -6.610 1.00 0.00 C ATOM 1137 O GLY A 79 -18.204 9.528 -7.337 1.00 0.00 O ATOM 0 H GLY A 79 -15.140 11.179 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.675 11.513 -7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.312 10.442 -7.054 1.00 0.00 H new ATOM 1141 N VAL A 80 -16.898 8.588 -5.764 1.00 0.00 N ATOM 1142 CA VAL A 80 -17.721 7.392 -5.639 1.00 0.00 C ATOM 1143 C VAL A 80 -18.439 7.356 -4.294 1.00 0.00 C ATOM 1144 O VAL A 80 -17.996 6.713 -3.343 1.00 0.00 O ATOM 1145 CB VAL A 80 -16.878 6.112 -5.792 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -17.769 4.879 -5.771 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.057 6.165 -7.072 1.00 0.00 C ATOM 0 H VAL A 80 -16.079 8.602 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.459 7.431 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.191 6.048 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.155 3.985 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.308 4.836 -4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.483 4.932 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.467 5.253 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.725 6.254 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.390 7.027 -7.041 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.575 8.064 -4.212 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.380 8.129 -2.988 1.00 0.00 C ATOM 1159 C PRO A 81 -21.067 6.804 -2.675 1.00 0.00 C ATOM 1160 O PRO A 81 -21.282 6.467 -1.511 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.419 9.209 -3.303 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.531 9.204 -4.789 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.163 8.855 -5.306 1.00 0.00 C ATOM 0 HA PRO A 81 -19.771 8.347 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.377 8.986 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.102 10.184 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.271 8.477 -5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.852 10.178 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.218 8.282 -6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.574 9.747 -5.518 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.409 6.058 -3.721 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.072 4.770 -3.555 1.00 0.00 C ATOM 1173 C GLU A 82 -21.379 3.935 -2.482 1.00 0.00 C ATOM 1174 O GLU A 82 -22.018 3.448 -1.550 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.088 4.006 -4.881 1.00 0.00 C ATOM 1176 CG GLU A 82 -22.739 2.636 -4.786 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.092 2.679 -4.104 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -24.850 3.641 -4.348 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -24.393 1.750 -3.325 1.00 0.00 O ATOM 0 H GLU A 82 -21.238 6.323 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.098 4.956 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.617 4.600 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.064 3.889 -5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.854 2.223 -5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.081 1.962 -4.237 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.067 3.774 -2.622 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.286 2.999 -1.666 1.00 0.00 C ATOM 1188 C VAL A 83 -19.072 3.777 -0.372 1.00 0.00 C ATOM 1189 O VAL A 83 -19.339 3.272 0.719 1.00 0.00 O ATOM 1190 CB VAL A 83 -17.915 2.606 -2.248 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.069 1.905 -1.196 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.091 1.726 -3.476 1.00 0.00 C ATOM 0 H VAL A 83 -19.523 4.170 -3.388 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.855 2.094 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.394 3.514 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.104 1.635 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -16.915 2.573 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.581 1.004 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.113 1.458 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.631 0.820 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.655 2.268 -4.235 1.00 0.00 H new ATOM 1202 N SER A 84 -18.589 5.008 -0.501 1.00 0.00 N ATOM 1203 CA SER A 84 -18.337 5.856 0.658 1.00 0.00 C ATOM 1204 C SER A 84 -19.493 5.779 1.650 1.00 0.00 C ATOM 1205 O SER A 84 -19.289 5.826 2.863 1.00 0.00 O ATOM 1206 CB SER A 84 -18.122 7.306 0.220 1.00 0.00 C ATOM 1207 OG SER A 84 -17.007 7.416 -0.648 1.00 0.00 O ATOM 0 H SER A 84 -18.364 5.441 -1.397 1.00 0.00 H new ATOM 0 HA SER A 84 -17.434 5.495 1.150 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.016 7.674 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.968 7.935 1.097 1.00 0.00 H new ATOM 0 HG SER A 84 -17.284 7.206 -1.564 1.00 0.00 H new ATOM 1213 N GLU A 85 -20.708 5.659 1.125 1.00 0.00 N ATOM 1214 CA GLU A 85 -21.898 5.576 1.964 1.00 0.00 C ATOM 1215 C GLU A 85 -21.951 4.242 2.703 1.00 0.00 C ATOM 1216 O GLU A 85 -22.059 4.202 3.928 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.160 5.752 1.116 1.00 0.00 C ATOM 1218 CG GLU A 85 -23.450 7.198 0.750 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.418 7.323 -0.410 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.540 6.783 -0.307 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -24.055 7.961 -1.420 1.00 0.00 O ATOM 0 H GLU A 85 -20.894 5.617 0.123 1.00 0.00 H new ATOM 0 HA GLU A 85 -21.849 6.378 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.057 5.168 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -24.013 5.346 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -23.861 7.713 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -22.516 7.699 0.495 1.00 0.00 H new ATOM 1228 N LYS A 86 -21.874 3.151 1.948 1.00 0.00 N ATOM 1229 CA LYS A 86 -21.912 1.814 2.529 1.00 0.00 C ATOM 1230 C LYS A 86 -21.059 1.745 3.791 1.00 0.00 C ATOM 1231 O LYS A 86 -21.567 1.486 4.883 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.422 0.780 1.513 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.431 -0.644 2.041 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.514 -1.545 1.232 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.093 -1.841 -0.142 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.125 -2.571 -1.007 1.00 0.00 N ATOM 0 H LYS A 86 -21.785 3.167 0.932 1.00 0.00 H new ATOM 0 HA LYS A 86 -22.945 1.591 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.049 0.832 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.409 1.038 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.118 -0.648 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.447 -1.037 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.539 -1.069 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.354 -2.480 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.001 -2.434 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.378 -0.906 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.558 -2.754 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.268 -1.995 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.872 -3.475 -0.559 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.761 1.979 3.636 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.837 1.942 4.764 1.00 0.00 C ATOM 1252 C TYR A 87 -18.918 3.231 5.576 1.00 0.00 C ATOM 1253 O TYR A 87 -18.420 3.301 6.699 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.405 1.726 4.271 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.223 0.447 3.484 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -16.898 -0.743 4.123 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.374 0.430 2.103 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.730 -1.914 3.409 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.208 -0.736 1.381 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.886 -1.905 2.038 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.720 -3.068 1.322 1.00 0.00 O ATOM 0 H TYR A 87 -19.324 2.196 2.740 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.122 1.109 5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.113 2.571 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.732 1.714 5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.775 -0.753 5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -17.625 1.344 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.478 -2.831 3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.330 -0.732 0.308 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.819 -3.421 1.476 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.549 4.249 4.998 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.695 5.536 5.668 1.00 0.00 C ATOM 1273 C GLU A 88 -18.340 6.219 5.835 1.00 0.00 C ATOM 1274 O GLU A 88 -18.023 6.739 6.905 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.357 5.352 7.035 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.674 4.595 6.976 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.521 4.802 8.217 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.351 4.031 9.185 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.353 5.732 8.220 1.00 0.00 O ATOM 0 H GLU A 88 -19.967 4.207 4.068 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.329 6.170 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.671 4.819 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.530 6.332 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.235 4.918 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.472 3.531 6.851 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.546 6.213 4.770 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.227 6.832 4.798 1.00 0.00 C ATOM 1288 C ILE A 89 -16.328 8.348 4.665 1.00 0.00 C ATOM 1289 O ILE A 89 -16.287 8.889 3.560 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.326 6.289 3.673 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.088 4.789 3.860 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.003 7.040 3.644 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.317 4.451 5.117 1.00 0.00 C ATOM 0 H ILE A 89 -17.793 5.786 3.877 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.782 6.583 5.761 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.830 6.443 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.050 4.277 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.545 4.405 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.378 6.645 2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.190 8.099 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.493 6.915 4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.186 3.371 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.340 4.934 5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.869 4.804 5.988 1.00 0.00 H new ATOM 1305 N SER A 90 -16.458 9.029 5.799 1.00 0.00 N ATOM 1306 CA SER A 90 -16.567 10.483 5.810 1.00 0.00 C ATOM 1307 C SER A 90 -15.329 11.115 6.438 1.00 0.00 C ATOM 1308 O SER A 90 -15.428 12.078 7.198 1.00 0.00 O ATOM 1309 CB SER A 90 -17.819 10.916 6.575 1.00 0.00 C ATOM 1310 OG SER A 90 -18.140 12.269 6.303 1.00 0.00 O ATOM 0 H SER A 90 -16.490 8.597 6.722 1.00 0.00 H new ATOM 0 HA SER A 90 -16.645 10.825 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.658 10.277 6.298 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.659 10.785 7.645 1.00 0.00 H new ATOM 0 HG SER A 90 -17.394 12.843 6.575 1.00 0.00 H new ATOM 1316 N SER A 91 -14.162 10.566 6.113 1.00 0.00 N ATOM 1317 CA SER A 91 -12.904 11.074 6.648 1.00 0.00 C ATOM 1318 C SER A 91 -11.725 10.597 5.805 1.00 0.00 C ATOM 1319 O SER A 91 -11.718 9.471 5.307 1.00 0.00 O ATOM 1320 CB SER A 91 -12.724 10.624 8.099 1.00 0.00 C ATOM 1321 OG SER A 91 -12.728 9.211 8.199 1.00 0.00 O ATOM 0 H SER A 91 -14.062 9.770 5.483 1.00 0.00 H new ATOM 0 HA SER A 91 -12.936 12.163 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.786 11.017 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.524 11.037 8.713 1.00 0.00 H new ATOM 0 HG SER A 91 -12.610 8.949 9.136 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.728 11.462 5.651 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.542 11.131 4.870 1.00 0.00 C ATOM 1329 C VAL A 92 -8.293 11.769 5.469 1.00 0.00 C ATOM 1330 O VAL A 92 -8.346 12.828 6.094 1.00 0.00 O ATOM 1331 CB VAL A 92 -9.687 11.588 3.406 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -10.858 10.883 2.740 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -9.853 13.099 3.335 1.00 0.00 C ATOM 0 H VAL A 92 -10.718 12.398 6.057 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.440 10.046 4.895 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.779 11.319 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.945 11.219 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.693 9.806 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.777 11.119 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.954 13.405 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.745 13.393 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.979 13.582 3.772 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.141 11.111 5.274 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.066 9.848 4.533 1.00 0.00 C ATOM 1345 C PRO A 93 -7.712 8.692 5.288 1.00 0.00 C ATOM 1346 O PRO A 93 -7.911 8.763 6.502 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.560 9.614 4.383 1.00 0.00 C ATOM 1348 CG PRO A 93 -4.947 10.348 5.525 1.00 0.00 C ATOM 1349 CD PRO A 93 -5.823 11.547 5.764 1.00 0.00 C ATOM 0 HA PRO A 93 -7.600 9.900 3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.319 8.552 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.194 9.991 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.898 9.718 6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.926 10.651 5.292 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.856 11.816 6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.463 12.422 5.223 1.00 0.00 H new ATOM 1357 N THR A 94 -8.038 7.627 4.564 1.00 0.00 N ATOM 1358 CA THR A 94 -8.663 6.455 5.166 1.00 0.00 C ATOM 1359 C THR A 94 -8.516 5.232 4.269 1.00 0.00 C ATOM 1360 O THR A 94 -8.999 5.218 3.136 1.00 0.00 O ATOM 1361 CB THR A 94 -10.159 6.697 5.444 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.315 7.746 6.405 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.825 5.429 5.956 1.00 0.00 C ATOM 0 H THR A 94 -7.880 7.551 3.559 1.00 0.00 H new ATOM 0 HA THR A 94 -8.150 6.273 6.110 1.00 0.00 H new ATOM 0 HB THR A 94 -10.638 6.988 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.121 8.263 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.881 5.624 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.730 4.641 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.343 5.113 6.881 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.846 4.205 4.782 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.635 2.976 4.026 1.00 0.00 C ATOM 1373 C PHE A 95 -8.595 1.883 4.487 1.00 0.00 C ATOM 1374 O PHE A 95 -9.058 1.888 5.628 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.189 2.499 4.181 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.172 3.554 3.852 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.787 4.485 4.804 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.600 3.615 2.592 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.851 5.457 4.505 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.663 4.584 2.287 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.289 5.507 3.245 1.00 0.00 C ATOM 0 H PHE A 95 -7.440 4.200 5.718 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.830 3.187 2.975 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.034 2.163 5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.028 1.636 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.224 4.450 5.791 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.890 2.897 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.560 6.176 5.256 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.224 4.620 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.558 6.266 3.008 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.889 0.947 3.591 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.795 -0.153 3.904 1.00 0.00 C ATOM 1393 C LEU A 96 -9.304 -1.456 3.280 1.00 0.00 C ATOM 1394 O LEU A 96 -9.416 -1.659 2.071 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.206 0.164 3.406 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.011 1.150 4.253 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.377 1.395 3.632 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.155 0.635 5.678 1.00 0.00 C ATOM 0 H LEU A 96 -8.514 0.928 2.643 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.818 -0.275 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.132 0.562 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.765 -0.769 3.341 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.473 2.098 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.936 2.099 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.253 1.808 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.923 0.454 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.731 1.349 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.670 -0.325 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.167 0.512 6.122 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.762 -2.338 4.114 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.255 -3.622 3.645 1.00 0.00 C ATOM 1412 C PHE A 97 -9.397 -4.612 3.431 1.00 0.00 C ATOM 1413 O PHE A 97 -10.184 -4.875 4.341 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.250 -4.194 4.647 1.00 0.00 C ATOM 1415 CG PHE A 97 -6.120 -3.257 4.964 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.279 -2.252 5.904 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.899 -3.381 4.321 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.241 -1.388 6.198 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.857 -2.521 4.611 1.00 0.00 C ATOM 1420 CZ PHE A 97 -4.028 -1.522 5.550 1.00 0.00 C ATOM 0 H PHE A 97 -8.663 -2.187 5.118 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.754 -3.460 2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.772 -4.446 5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.841 -5.123 4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.225 -2.142 6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.760 -4.159 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.378 -0.609 6.933 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.910 -2.630 4.104 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.216 -0.848 5.777 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.480 -5.157 2.223 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.526 -6.117 1.887 1.00 0.00 C ATOM 1432 C PHE A 98 -9.923 -7.456 1.472 1.00 0.00 C ATOM 1433 O PHE A 98 -9.297 -7.568 0.418 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.407 -5.571 0.762 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.281 -4.426 1.187 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.174 -4.571 2.236 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -12.210 -3.204 0.537 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.980 -3.519 2.630 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -13.012 -2.149 0.927 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.899 -2.307 1.974 1.00 0.00 C ATOM 0 H PHE A 98 -8.836 -4.951 1.460 1.00 0.00 H new ATOM 0 HA PHE A 98 -11.139 -6.274 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.771 -5.246 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.036 -6.376 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.241 -5.517 2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.520 -3.075 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.672 -3.645 3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.946 -1.201 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.528 -1.484 2.279 1.00 0.00 H new ATOM 1450 N LYS A 99 -10.115 -8.469 2.309 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.591 -9.802 2.031 1.00 0.00 C ATOM 1452 C LYS A 99 -10.725 -10.785 1.758 1.00 0.00 C ATOM 1453 O LYS A 99 -11.452 -11.177 2.669 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.746 -10.296 3.208 1.00 0.00 C ATOM 1455 CG LYS A 99 -8.021 -11.601 2.929 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.766 -11.376 2.103 1.00 0.00 C ATOM 1457 CE LYS A 99 -5.567 -11.058 2.984 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.318 -10.909 2.188 1.00 0.00 N ATOM 0 H LYS A 99 -10.630 -8.393 3.186 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.964 -9.741 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.014 -9.531 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.390 -10.426 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.756 -12.080 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.688 -12.283 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.556 -12.265 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.932 -10.557 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.757 -10.138 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.436 -11.852 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.647 -10.305 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.892 -11.845 2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.541 -10.473 1.270 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.867 -11.181 0.497 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.912 -12.120 0.104 1.00 0.00 C ATOM 1474 C ASN A 100 -13.288 -11.466 0.184 1.00 0.00 C ATOM 1475 O ASN A 100 -14.256 -12.085 0.627 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.872 -13.362 0.997 1.00 0.00 C ATOM 1477 CG ASN A 100 -12.538 -14.560 0.349 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -13.327 -14.417 -0.585 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -12.223 -15.751 0.845 1.00 0.00 N ATOM 0 H ASN A 100 -10.272 -10.867 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.730 -12.417 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.835 -13.607 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.366 -13.142 1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -12.640 -16.594 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.564 -15.823 1.620 1.00 0.00 H new ATOM 1486 N SER A 101 -13.368 -10.212 -0.249 1.00 0.00 N ATOM 1487 CA SER A 101 -14.625 -9.473 -0.225 1.00 0.00 C ATOM 1488 C SER A 101 -15.105 -9.266 1.209 1.00 0.00 C ATOM 1489 O SER A 101 -16.306 -9.248 1.475 1.00 0.00 O ATOM 1490 CB SER A 101 -15.694 -10.216 -1.030 1.00 0.00 C ATOM 1491 OG SER A 101 -15.293 -10.379 -2.379 1.00 0.00 O ATOM 0 H SER A 101 -12.577 -9.686 -0.621 1.00 0.00 H new ATOM 0 HA SER A 101 -14.453 -8.497 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.879 -11.192 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.633 -9.664 -0.990 1.00 0.00 H new ATOM 0 HG SER A 101 -15.991 -10.858 -2.872 1.00 0.00 H new ATOM 1497 N GLN A 102 -14.157 -9.110 2.127 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.482 -8.904 3.533 1.00 0.00 C ATOM 1499 C GLN A 102 -13.423 -8.046 4.217 1.00 0.00 C ATOM 1500 O GLN A 102 -12.228 -8.333 4.135 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.609 -10.249 4.251 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.831 -11.049 3.833 1.00 0.00 C ATOM 1503 CD GLN A 102 -17.127 -10.434 4.323 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -17.403 -9.260 4.077 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -17.932 -11.227 5.022 1.00 0.00 N ATOM 0 H GLN A 102 -13.158 -9.122 1.922 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.436 -8.380 3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.714 -10.841 4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.649 -10.075 5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.857 -11.124 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.746 -12.064 4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.664 -12.194 5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.818 -10.868 5.378 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.868 -6.992 4.893 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.959 -6.092 5.593 1.00 0.00 C ATOM 1516 C LYS A 103 -12.313 -6.791 6.785 1.00 0.00 C ATOM 1517 O LYS A 103 -12.990 -7.461 7.565 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.707 -4.843 6.064 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.792 -3.733 6.550 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.583 -2.523 7.018 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.249 -2.778 8.362 1.00 0.00 C ATOM 1522 NZ LYS A 103 -15.088 -1.625 8.792 1.00 0.00 N ATOM 0 H LYS A 103 -14.853 -6.740 4.971 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.173 -5.796 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.319 -4.465 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.388 -5.120 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.173 -4.102 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.117 -3.439 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.920 -1.662 7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.342 -2.274 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.868 -3.673 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.485 -2.972 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.525 -1.837 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.493 -0.776 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.833 -1.455 8.086 1.00 0.00 H new ATOM 1536 N ILE A 104 -11.001 -6.627 6.921 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.266 -7.240 8.020 1.00 0.00 C ATOM 1538 C ILE A 104 -9.487 -6.194 8.811 1.00 0.00 C ATOM 1539 O ILE A 104 -9.326 -6.313 10.026 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.288 -8.316 7.512 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.299 -7.709 6.515 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -10.052 -9.467 6.875 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -7.108 -8.596 6.228 1.00 0.00 C ATOM 0 H ILE A 104 -10.426 -6.075 6.284 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.004 -7.709 8.671 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.725 -8.704 8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.820 -7.500 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.945 -6.754 6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.347 -10.219 6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.719 -9.913 7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.638 -9.094 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.450 -8.102 5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.563 -8.784 7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.451 -9.542 5.810 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.007 -5.170 8.115 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.247 -4.101 8.752 1.00 0.00 C ATOM 1557 C ASP A 105 -8.704 -2.735 8.248 1.00 0.00 C ATOM 1558 O ASP A 105 -9.467 -2.641 7.287 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.752 -4.282 8.488 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.902 -3.311 9.285 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -5.825 -3.468 10.521 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.315 -2.395 8.672 1.00 0.00 O ATOM 0 H ASP A 105 -9.131 -5.057 7.109 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.427 -4.151 9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.463 -5.303 8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.554 -4.145 7.425 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.233 -1.680 8.905 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.594 -0.320 8.525 1.00 0.00 C ATOM 1569 C ARG A 106 -7.619 0.689 9.123 1.00 0.00 C ATOM 1570 O ARG A 106 -7.440 0.750 10.341 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.019 -0.002 8.982 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.351 1.481 8.952 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.659 1.774 9.671 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.246 3.042 9.246 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.354 3.552 9.772 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.992 2.905 10.738 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.826 4.711 9.332 1.00 0.00 N ATOM 0 H ARG A 106 -7.601 -1.741 9.703 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.543 -0.247 7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.724 -0.536 8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.159 -0.377 9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.544 2.045 9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.419 1.819 7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.366 0.966 9.481 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.484 1.798 10.747 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.780 3.565 8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.632 2.014 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.843 3.299 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.338 5.211 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.677 5.102 9.737 1.00 0.00 H new ATOM 1591 N LEU A 107 -6.990 1.479 8.261 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.031 2.486 8.704 1.00 0.00 C ATOM 1593 C LEU A 107 -6.599 3.891 8.531 1.00 0.00 C ATOM 1594 O LEU A 107 -6.969 4.291 7.427 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.723 2.353 7.922 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.467 2.871 8.622 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.261 2.765 7.702 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.666 4.308 9.081 1.00 0.00 C ATOM 0 H LEU A 107 -7.126 1.442 7.251 1.00 0.00 H new ATOM 0 HA LEU A 107 -5.832 2.321 9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.573 1.301 7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.833 2.884 6.976 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.283 2.253 9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.376 3.138 8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.106 1.723 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.435 3.358 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.762 4.660 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.876 4.940 8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.503 4.355 9.777 1.00 0.00 H new ATOM 1610 N ASP A 108 -6.663 4.637 9.629 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.183 5.999 9.599 1.00 0.00 C ATOM 1612 C ASP A 108 -6.106 7.000 10.006 1.00 0.00 C ATOM 1613 O ASP A 108 -5.420 6.815 11.010 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.392 6.127 10.526 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.647 7.559 10.952 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -8.993 8.385 10.081 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -8.499 7.855 12.156 1.00 0.00 O ATOM 0 H ASP A 108 -6.361 4.321 10.551 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.493 6.221 8.578 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.276 5.739 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.234 5.511 11.411 1.00 0.00 H new ATOM 1622 N GLY A 109 -5.964 8.062 9.218 1.00 0.00 N ATOM 1623 CA GLY A 109 -4.968 9.076 9.513 1.00 0.00 C ATOM 1624 C GLY A 109 -3.747 8.965 8.622 1.00 0.00 C ATOM 1625 O GLY A 109 -3.170 7.888 8.480 1.00 0.00 O ATOM 0 H GLY A 109 -6.520 8.238 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.413 10.064 9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.662 8.988 10.556 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.353 10.082 8.019 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.192 10.106 7.138 1.00 0.00 C ATOM 1631 C ALA A 110 -0.972 9.496 7.820 1.00 0.00 C ATOM 1632 O ALA A 110 -0.347 10.124 8.674 1.00 0.00 O ATOM 1633 CB ALA A 110 -1.894 11.531 6.696 1.00 0.00 C ATOM 0 H ALA A 110 -3.821 10.982 8.125 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.422 9.505 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.025 11.534 6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.754 11.934 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.689 12.148 7.571 1.00 0.00 H new ATOM 1639 N HIS A 111 -0.639 8.267 7.437 1.00 0.00 N ATOM 1640 CA HIS A 111 0.507 7.572 8.012 1.00 0.00 C ATOM 1641 C HIS A 111 1.351 6.920 6.921 1.00 0.00 C ATOM 1642 O HIS A 111 0.897 6.005 6.235 1.00 0.00 O ATOM 1643 CB HIS A 111 0.039 6.513 9.011 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.474 7.088 10.296 1.00 0.00 C ATOM 1645 ND1 HIS A 111 0.278 7.912 11.105 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -1.673 6.953 10.909 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -0.435 8.259 12.162 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -1.624 7.691 12.066 1.00 0.00 N ATOM 0 H HIS A 111 -1.146 7.733 6.732 1.00 0.00 H new ATOM 0 HA HIS A 111 1.122 8.306 8.533 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.747 5.914 8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.868 5.839 9.229 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -2.512 6.373 10.554 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.103 8.898 12.967 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.382 7.785 12.742 1.00 0.00 H new ATOM 1657 N ALA A 112 2.581 7.399 6.765 1.00 0.00 N ATOM 1658 CA ALA A 112 3.488 6.863 5.759 1.00 0.00 C ATOM 1659 C ALA A 112 3.943 5.454 6.125 1.00 0.00 C ATOM 1660 O ALA A 112 3.747 4.498 5.374 1.00 0.00 O ATOM 1661 CB ALA A 112 4.690 7.780 5.589 1.00 0.00 C ATOM 0 H ALA A 112 2.972 8.158 7.323 1.00 0.00 H new ATOM 0 HA ALA A 112 2.950 6.809 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.359 7.367 4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.353 8.767 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.221 7.864 6.537 1.00 0.00 H new ATOM 1667 N PRO A 113 4.566 5.321 7.305 1.00 0.00 N ATOM 1668 CA PRO A 113 5.062 4.032 7.797 1.00 0.00 C ATOM 1669 C PRO A 113 3.931 3.082 8.175 1.00 0.00 C ATOM 1670 O PRO A 113 3.904 1.931 7.741 1.00 0.00 O ATOM 1671 CB PRO A 113 5.876 4.414 9.036 1.00 0.00 C ATOM 1672 CG PRO A 113 5.285 5.703 9.494 1.00 0.00 C ATOM 1673 CD PRO A 113 4.834 6.417 8.251 1.00 0.00 C ATOM 0 HA PRO A 113 5.638 3.501 7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.804 3.649 9.809 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.933 4.526 8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.448 5.530 10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 113 6.018 6.296 10.040 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.942 7.017 8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.602 7.093 7.875 1.00 0.00 H new ATOM 1681 N GLU A 114 2.999 3.572 8.987 1.00 0.00 N ATOM 1682 CA GLU A 114 1.866 2.764 9.424 1.00 0.00 C ATOM 1683 C GLU A 114 1.212 2.060 8.239 1.00 0.00 C ATOM 1684 O GLU A 114 0.869 0.879 8.316 1.00 0.00 O ATOM 1685 CB GLU A 114 0.837 3.637 10.144 1.00 0.00 C ATOM 1686 CG GLU A 114 0.058 2.899 11.220 1.00 0.00 C ATOM 1687 CD GLU A 114 0.937 2.444 12.368 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.981 3.087 12.606 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.582 1.446 13.029 1.00 0.00 O ATOM 0 H GLU A 114 3.006 4.523 9.355 1.00 0.00 H new ATOM 0 HA GLU A 114 2.237 2.007 10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.347 4.488 10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.137 4.038 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.728 3.549 11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.433 2.032 10.778 1.00 0.00 H new ATOM 1696 N LEU A 115 1.040 2.792 7.144 1.00 0.00 N ATOM 1697 CA LEU A 115 0.426 2.239 5.942 1.00 0.00 C ATOM 1698 C LEU A 115 1.173 0.995 5.472 1.00 0.00 C ATOM 1699 O LEU A 115 0.613 -0.101 5.430 1.00 0.00 O ATOM 1700 CB LEU A 115 0.405 3.287 4.828 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.406 2.927 3.583 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.882 2.793 3.927 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.204 3.971 2.494 1.00 0.00 C ATOM 0 H LEU A 115 1.317 3.770 7.064 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.598 1.955 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.010 4.216 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.433 3.485 4.523 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.052 1.966 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.443 2.537 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.012 2.008 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.250 3.738 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.789 3.698 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.530 4.945 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.852 4.018 2.227 1.00 0.00 H new ATOM 1715 N THR A 116 2.443 1.171 5.121 1.00 0.00 N ATOM 1716 CA THR A 116 3.268 0.064 4.655 1.00 0.00 C ATOM 1717 C THR A 116 3.199 -1.116 5.618 1.00 0.00 C ATOM 1718 O THR A 116 2.919 -2.245 5.215 1.00 0.00 O ATOM 1719 CB THR A 116 4.738 0.490 4.487 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.839 1.526 3.503 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.601 -0.693 4.075 1.00 0.00 C ATOM 0 H THR A 116 2.923 2.071 5.151 1.00 0.00 H new ATOM 0 HA THR A 116 2.873 -0.238 3.685 1.00 0.00 H new ATOM 0 HB THR A 116 5.096 0.864 5.446 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.777 1.792 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.635 -0.367 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.546 -1.468 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.241 -1.093 3.127 1.00 0.00 H new ATOM 1729 N LYS A 117 3.457 -0.847 6.893 1.00 0.00 N ATOM 1730 CA LYS A 117 3.423 -1.886 7.916 1.00 0.00 C ATOM 1731 C LYS A 117 2.171 -2.746 7.777 1.00 0.00 C ATOM 1732 O LYS A 117 2.256 -3.954 7.555 1.00 0.00 O ATOM 1733 CB LYS A 117 3.471 -1.259 9.311 1.00 0.00 C ATOM 1734 CG LYS A 117 4.844 -0.735 9.696 1.00 0.00 C ATOM 1735 CD LYS A 117 4.760 0.262 10.839 1.00 0.00 C ATOM 1736 CE LYS A 117 6.104 0.925 11.100 1.00 0.00 C ATOM 1737 NZ LYS A 117 6.936 0.138 12.052 1.00 0.00 N ATOM 0 H LYS A 117 3.692 0.082 7.243 1.00 0.00 H new ATOM 0 HA LYS A 117 4.297 -2.523 7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.753 -0.440 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.156 -2.001 10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.484 -1.568 9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 117 5.309 -0.261 8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.017 1.024 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.422 -0.246 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.641 1.040 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.943 1.926 11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.843 0.623 12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.435 0.049 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.111 -0.809 11.659 1.00 0.00 H new ATOM 1751 N LYS A 118 1.008 -2.116 7.907 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.262 -2.822 7.793 1.00 0.00 C ATOM 1753 C LYS A 118 -0.360 -3.555 6.458 1.00 0.00 C ATOM 1754 O LYS A 118 -0.693 -4.739 6.412 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.429 -1.842 7.935 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.775 -1.513 9.377 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.749 -0.350 9.465 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.344 -0.226 10.860 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.595 -1.021 11.001 1.00 0.00 N ATOM 0 H LYS A 118 0.919 -1.117 8.092 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.313 -3.557 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.184 -0.919 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.308 -2.263 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.209 -2.390 9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -0.864 -1.268 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.237 0.576 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.549 -0.488 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.615 -0.562 11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.553 0.822 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.282 -0.489 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.997 -1.205 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.381 -1.925 11.469 1.00 0.00 H new ATOM 1773 N VAL A 119 -0.066 -2.843 5.375 1.00 0.00 N ATOM 1774 CA VAL A 119 -0.118 -3.426 4.040 1.00 0.00 C ATOM 1775 C VAL A 119 0.657 -4.739 3.983 1.00 0.00 C ATOM 1776 O VAL A 119 0.078 -5.802 3.759 1.00 0.00 O ATOM 1777 CB VAL A 119 0.451 -2.461 2.983 1.00 0.00 C ATOM 1778 CG1 VAL A 119 0.453 -3.114 1.609 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.343 -1.164 2.964 1.00 0.00 C ATOM 0 H VAL A 119 0.211 -1.861 5.396 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.168 -3.617 3.819 1.00 0.00 H new ATOM 0 HB VAL A 119 1.482 -2.226 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.858 -2.417 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.069 -4.013 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.567 -3.380 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.073 -0.494 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.384 -1.378 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.287 -0.689 3.943 1.00 0.00 H new ATOM 1789 N GLN A 120 1.967 -4.655 4.187 1.00 0.00 N ATOM 1790 CA GLN A 120 2.821 -5.837 4.159 1.00 0.00 C ATOM 1791 C GLN A 120 2.256 -6.938 5.051 1.00 0.00 C ATOM 1792 O GLN A 120 2.002 -8.052 4.593 1.00 0.00 O ATOM 1793 CB GLN A 120 4.239 -5.479 4.606 1.00 0.00 C ATOM 1794 CG GLN A 120 4.875 -4.371 3.782 1.00 0.00 C ATOM 1795 CD GLN A 120 6.326 -4.131 4.149 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.773 -4.499 5.236 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.072 -3.510 3.242 1.00 0.00 N ATOM 0 H GLN A 120 2.460 -3.782 4.373 1.00 0.00 H new ATOM 0 HA GLN A 120 2.854 -6.206 3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.215 -5.174 5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 120 4.865 -6.369 4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.809 -4.626 2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.311 -3.449 3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.661 -3.222 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.056 -3.321 3.434 1.00 0.00 H new ATOM 1806 N ARG A 121 2.063 -6.618 6.326 1.00 0.00 N ATOM 1807 CA ARG A 121 1.530 -7.580 7.283 1.00 0.00 C ATOM 1808 C ARG A 121 0.366 -8.360 6.679 1.00 0.00 C ATOM 1809 O ARG A 121 0.435 -9.581 6.528 1.00 0.00 O ATOM 1810 CB ARG A 121 1.073 -6.866 8.556 1.00 0.00 C ATOM 1811 CG ARG A 121 0.665 -7.813 9.673 1.00 0.00 C ATOM 1812 CD ARG A 121 0.009 -7.068 10.824 1.00 0.00 C ATOM 1813 NE ARG A 121 -0.173 -7.920 11.996 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.444 -7.453 13.210 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -0.565 -6.148 13.410 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -0.596 -8.293 14.226 1.00 0.00 N ATOM 0 H ARG A 121 2.268 -5.700 6.720 1.00 0.00 H new ATOM 0 HA ARG A 121 2.325 -8.283 7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.879 -6.224 8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.231 -6.217 8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.025 -8.562 9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.543 -8.347 10.037 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.621 -6.207 11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.959 -6.683 10.502 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.087 -8.929 11.876 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.450 -5.500 12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.773 -5.792 14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.505 -9.298 14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.804 -7.934 15.158 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.702 -7.648 6.335 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.881 -8.273 5.747 1.00 0.00 C ATOM 1832 C HIS A 122 -1.533 -8.956 4.428 1.00 0.00 C ATOM 1833 O HIS A 122 -2.229 -9.871 3.989 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.978 -7.232 5.522 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.293 -6.420 6.741 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.726 -6.978 7.925 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.234 -5.085 6.955 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.922 -6.021 8.814 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.629 -4.863 8.251 1.00 0.00 N ATOM 0 H HIS A 122 -0.775 -6.638 6.453 1.00 0.00 H new ATOM 0 HA HIS A 122 -2.246 -9.029 6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.672 -6.562 4.718 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.884 -7.738 5.188 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.872 -7.974 8.089 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.932 -4.334 6.240 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.264 -6.162 9.829 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.452 -8.504 3.800 1.00 0.00 N ATOM 1849 CA ALA A 123 -0.012 -9.072 2.532 1.00 0.00 C ATOM 1850 C ALA A 123 0.861 -10.302 2.756 1.00 0.00 C ATOM 1851 O ALA A 123 1.672 -10.663 1.902 1.00 0.00 O ATOM 1852 CB ALA A 123 0.741 -8.029 1.719 1.00 0.00 C ATOM 0 H ALA A 123 0.135 -7.746 4.149 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.896 -9.382 1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.064 -8.467 0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.086 -7.180 1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.613 -7.691 2.279 1.00 0.00 H new